diff --git a/bmr-util.jar b/bmr-util.jar index 47df01e..ad6b0f3 100644 Binary files a/bmr-util.jar and b/bmr-util.jar differ diff --git a/bms-util.jar b/bms-util.jar index 6da0338..2800a93 100644 Binary files a/bms-util.jar and b/bms-util.jar differ diff --git a/extlibs/xsd2pgschema.jar b/extlibs/xsd2pgschema.jar index cdcc866..bd89d60 100644 Binary files a/extlibs/xsd2pgschema.jar and b/extlibs/xsd2pgschema.jar differ diff --git a/schema/NMR-STAR.dic.patch b/schema/NMR-STAR.dic.patch index 4f610f4..38d268f 100644 --- a/schema/NMR-STAR.dic.patch +++ b/schema/NMR-STAR.dic.patch @@ -1,5 +1,5 @@ -*** NMR-STAR.dic 2022-01-18 16:07:05.951949599 +0900 ---- mmcif_nmr-star-v3.2.1.18.dic 2022-01-18 16:07:00.088962163 +0900 +*** NMR-STAR.dic 2022-06-08 14:31:57.165107495 +0900 +--- mmcif_nmr-star-v3.2.1.18.dic 2022-06-08 14:31:50.139096386 +0900 *************** *** 27,33 **** _dictionary_history.version @@ -11001,6 +11001,16 @@ ; *************** +*** 34625,34630 **** +--- 36575,36581 ---- + 'Spectral image' ? + 'Acquisition parameters' ? + 'Processing parameters' ? ++ 'RNA fragment binding data' ? + na ? + + stop_ +*************** *** 34736,34742 **** _item_description.description @@ -11009,7 +11019,7 @@ parameters. ; ---- 36686,36692 ---- +--- 36687,36693 ---- _item_description.description ; @@ -11026,7 +11036,7 @@ listed in the entry. ; ---- 36717,36723 ---- +--- 36718,36724 ---- _item_description.description ; @@ -11043,7 +11053,7 @@ pulse sequence within the BMRB pulse sequence library. ; ---- 37082,37088 ---- +--- 37083,37089 ---- _item_description.description ; @@ -11060,7 +11070,7 @@ NMR experiment. ; ---- 37155,37161 ---- +--- 37156,37162 ---- _item_description.description ; @@ -11079,7 +11089,7 @@ for acquiring and processing the data. ; ---- 37236,37244 ---- +--- 37237,37245 ---- _item_description.description ; @@ -11098,7 +11108,7 @@ listed NMR experiment file. ; ---- 37303,37309 ---- +--- 37304,37310 ---- _item_description.description ; @@ -11115,7 +11125,7 @@ are arranged. Depends on the computer platform employed. ; ---- 37319,37325 ---- +--- 37320,37326 ---- _item_description.description ; @@ -11132,7 +11142,7 @@ bytes ( of 8 bits each yielding a total of 32 bits) per point. ; ---- 37335,37341 ---- +--- 37336,37342 ---- _item_description.description ; @@ -11149,7 +11159,7 @@ NMR experiment. ; ---- 37411,37417 ---- +--- 37412,37418 ---- _item_description.description ; @@ -11166,7 +11176,7 @@ in the list. ; ---- 37483,37489 ---- +--- 37484,37490 ---- _item_description.description ; @@ -11183,7 +11193,7 @@ in the list. ; ---- 37499,37505 ---- +--- 37500,37506 ---- _item_description.description ; @@ -11200,7 +11210,7 @@ detected in the experiment. ; ---- 37515,37521 ---- +--- 37516,37522 ---- _item_description.description ; @@ -11217,7 +11227,7 @@ save_ save__spectral_acq_param.spectral_dim ---- 37541,37546 ---- +--- 37542,37547 ---- *************** *** 35745,35751 **** @@ -11227,7 +11237,7 @@ pulse sequence is applied. ; ---- 37694,37700 ---- +--- 37695,37701 ---- _item_description.description ; @@ -11244,7 +11254,7 @@ pulse sequence is applied. ; ---- 37782,37788 ---- +--- 37783,37789 ---- _item_description.description ; @@ -11261,7 +11271,7 @@ parameters. ; ---- 37954,37960 ---- +--- 37955,37961 ---- _item_description.description ; @@ -11278,7 +11288,7 @@ sets of spectral processing parameters in the entry. ; ---- 37985,37991 ---- +--- 37986,37992 ---- _item_description.description ; @@ -11295,7 +11305,7 @@ save frame. ; ---- 38162,38168 ---- +--- 38163,38169 ---- _item_description.description ; @@ -11312,7 +11322,7 @@ out. ; ---- 38193,38199 ---- +--- 38194,38200 ---- _item_description.description ; @@ -11329,7 +11339,7 @@ current operation. ; ---- 38209,38215 ---- +--- 38210,38216 ---- _item_description.description ; @@ -11346,7 +11356,7 @@ in the list. ; ---- 38225,38231 ---- +--- 38226,38232 ---- _item_description.description ; @@ -11363,7 +11373,7 @@ spec experiments listed in the entry. ; ---- 38403,38409 ---- +--- 38404,38410 ---- _item_description.description ; @@ -11380,7 +11390,7 @@ listed in the entry. ; ---- 38860,38866 ---- +--- 38861,38867 ---- _item_description.description ; @@ -11397,7 +11407,7 @@ listed in the entry. ; ---- 39111,39117 ---- +--- 39112,39118 ---- _item_description.description ; @@ -11414,7 +11424,7 @@ listed in the entry. ; ---- 39371,39377 ---- +--- 39372,39378 ---- _item_description.description ; @@ -11431,7 +11441,7 @@ in the entry. ; ---- 39631,39637 ---- +--- 39632,39638 ---- _item_description.description ; @@ -11448,7 +11458,7 @@ in the entry. ; ---- 39662,39668 ---- +--- 39663,39669 ---- _item_description.description ; @@ -11465,7 +11475,7 @@ that computer from all others. ; ---- 39833,39839 ---- +--- 39834,39840 ---- _item_description.description ; @@ -11483,7 +11493,7 @@ shift data. ; ---- 39975,39982 ---- +--- 39976,39983 ---- _item_description.description ; @@ -11501,7 +11511,7 @@ reference values from other saveframes of this category in an entry. ; ---- 40008,40014 ---- +--- 40009,40015 ---- _item_description.description ; @@ -11518,7 +11528,7 @@ referencing values or methods. ; ---- 40060,40066 ---- +--- 40061,40067 ---- _item_description.description ; @@ -11535,7 +11545,7 @@ (i.e., H, C, P, etc). ; ---- 40104,40110 ---- +--- 40105,40111 ---- _item_description.description ; @@ -11552,7 +11562,7 @@ or any of its related tags. ; ---- 40142,40148 ---- +--- 40143,40149 ---- _item_description.description ; @@ -11569,7 +11579,7 @@ as a chemical shift reference. ; ---- 40166,40172 ---- +--- 40167,40173 ---- _item_description.description ; @@ -11641,7 +11651,7 @@ loop_ _item_examples.case ---- 40176,40238 ---- +--- 40177,40239 ---- # _pdbx_item_enumeration_details.closed_flag no _item_type.code 'line' @@ -11714,7 +11724,7 @@ chemical shift reference for the defined observed nuclei. ; ---- 40249,40255 ---- +--- 40250,40256 ---- _item_description.description ; @@ -11743,7 +11753,7 @@ loop_ _item_examples.case ---- 40259,40278 ---- +--- 40260,40279 ---- # _pdbx_item_enumeration_details.closed_flag no _item_type.code 'line' @@ -11773,7 +11783,7 @@ reference sample. ; ---- 40289,40295 ---- +--- 40290,40296 ---- _item_description.description ; @@ -11791,7 +11801,7 @@ sample or used as an external reference. ; ---- 40359,40366 ---- +--- 40360,40367 ---- _item_description.description ; @@ -11809,7 +11819,7 @@ shift reference. ; ---- 40376,40382 ---- +--- 40377,40383 ---- _item_description.description ; @@ -11826,7 +11836,7 @@ in the sample) or external (the compound is in a container external to the sample). ; ---- 40435,40441 ---- +--- 40436,40442 ---- _item_description.description ; @@ -11843,7 +11853,7 @@ a chemical compound) or indirect (calculated from chemical shift ratios). ; ---- 40470,40476 ---- +--- 40471,40477 ---- _item_description.description ; @@ -11853,7 +11863,7 @@ *************** *** 38535,38540 **** ---- 40486,40493 ---- +--- 40487,40494 ---- direct ? indirect ? @@ -11873,7 +11883,7 @@ (Markley, et al. Pure and Appl. Chem. 70, 117-142 (1998). ; ---- 40506,40514 ---- +--- 40507,40515 ---- _item_description.description ; @@ -11894,7 +11904,7 @@ the molecular system studied in the entry. ; ---- 40533,40541 ---- +--- 40534,40542 ---- _item_description.description ; @@ -11913,7 +11923,7 @@ static field (Bo) of the spectrometer. ; ---- 40608,40614 ---- +--- 40609,40615 ---- _item_description.description ; @@ -11930,7 +11940,7 @@ the source of the correction (pH; temperature; etc.). ; ---- 40674,40680 ---- +--- 40675,40681 ---- _item_description.description ; @@ -11947,7 +11957,7 @@ circumstance such as data collection at an unusual temperature. ; ---- 40698,40704 ---- +--- 40699,40705 ---- _item_description.description ; @@ -11964,7 +11974,7 @@ chemical shifts. ; ---- 40822,40828 ---- +--- 40823,40829 ---- _item_description.description ; @@ -11981,7 +11991,7 @@ shifts from other saveframes of this category in an entry. ; ---- 40854,40860 ---- +--- 40855,40861 ---- _item_description.description ; @@ -12000,7 +12010,7 @@ stop_ ---- 40869,40881 ---- +--- 40870,40882 ---- '_chem_shift_software.assigned_chem_shift_list_id' 'chem_shift_software' yes '_atom_chem_shift.assigned_chem_shift_list_id' 'atom_chem_shift' yes '_ambiguous_atom_chem_shift.assigned_chem_shift_list_id' 'ambiguous_atom_chem_shift' yes @@ -12025,7 +12035,7 @@ stop_ ---- 40888,40900 ---- +--- 40889,40901 ---- '_chem_shift_software.assigned_chem_shift_list_id' '_assigned_chem_shift_list.id' '_atom_chem_shift.assigned_chem_shift_list_id' '_assigned_chem_shift_list.id' '_ambiguous_atom_chem_shift.assigned_chem_shift_list_id' '_assigned_chem_shift_list.id' @@ -12050,7 +12060,7 @@ shifts. ; ---- 40982,40990 ---- +--- 40983,40991 ---- _item_description.description ; @@ -12071,7 +12081,7 @@ shifts. ; ---- 41008,41016 ---- +--- 41009,41017 ---- _item_description.description ; @@ -12092,7 +12102,7 @@ shifts. ; ---- 41034,41042 ---- +--- 41035,41043 ---- _item_description.description ; @@ -12113,7 +12123,7 @@ shifts. ; ---- 41060,41068 ---- +--- 41061,41069 ---- _item_description.description ; @@ -12134,7 +12144,7 @@ shifts. ; ---- 41086,41094 ---- +--- 41087,41095 ---- _item_description.description ; @@ -12155,7 +12165,7 @@ shifts. ; ---- 41112,41120 ---- +--- 41113,41121 ---- _item_description.description ; @@ -12174,7 +12184,7 @@ as ASCII text in the 'Assigned_chem_shift_list.Text_data' tag. ; ---- 41168,41174 ---- +--- 41169,41175 ---- _item_description.description ; @@ -12191,7 +12201,7 @@ shifts observed for a specific type of atom. ; ---- 41366,41372 ---- +--- 41367,41373 ---- _item_description.description ; @@ -12208,7 +12218,7 @@ chemical shift offset. ; ---- 41448,41454 ---- +--- 41449,41455 ---- _item_description.description ; @@ -12226,7 +12236,7 @@ the chemical shift referencing that was used. ; ---- 41472,41479 ---- +--- 41473,41480 ---- _item_description.description ; @@ -12244,7 +12254,7 @@ shift value. ; ---- 41692,41698 ---- +--- 41693,41699 ---- _item_description.description ; @@ -12261,7 +12271,7 @@ (i.e., H, C, P, etc). ; ---- 41832,41838 ---- +--- 41833,41839 ---- _item_description.description ; @@ -12278,7 +12288,7 @@ or any of its related tags. ; ---- 41848,41854 ---- +--- 41849,41855 ---- _item_description.description ; @@ -12295,7 +12305,7 @@ shift value. ; ---- 41894,41900 ---- +--- 41895,41901 ---- _item_description.description ; @@ -12314,7 +12324,7 @@ residue ambiguities, etc. ; ---- 41910,41918 ---- +--- 41911,41919 ---- _item_description.description ; @@ -12333,7 +12343,7 @@ of 4, 5, or 6 that form a known set of related chemical shift assignments. ; ---- 41943,41949 ---- +--- 41944,41950 ---- _item_description.description ; @@ -12350,7 +12360,7 @@ estimated percent of the molecules with the assigned chemical shift. ; ---- 41967,41973 ---- +--- 41968,41974 ---- _item_description.description ; @@ -12369,7 +12379,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 41998,42006 ---- +--- 41999,42007 ---- _item_description.description ; @@ -12389,7 +12399,7 @@ describes the structure. ; ---- 42016,42023 ---- +--- 42017,42024 ---- _item_description.description ; @@ -12409,7 +12419,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 42041,42049 ---- +--- 42042,42050 ---- _item_description.description ; @@ -12428,7 +12438,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 42067,42073 ---- +--- 42068,42074 ---- _item_description.description ; @@ -12445,7 +12455,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 42091,42097 ---- +--- 42092,42098 ---- _item_description.description ; @@ -12465,7 +12475,7 @@ in the set. ; ---- 42186,42195 ---- +--- 42187,42196 ---- _item_description.description ; @@ -12485,7 +12495,7 @@ contained in the saveframe. ; ---- 42290,42296 ---- +--- 42291,42297 ---- _item_description.description ; @@ -12502,7 +12512,7 @@ that was carried out. ; ---- 42321,42327 ---- +--- 42322,42328 ---- _item_description.description ; @@ -12519,7 +12529,7 @@ or chemical shift tensors (not shielding tensors). ; ---- 42371,42377 ---- +--- 42372,42378 ---- _item_description.description ; @@ -12536,7 +12546,7 @@ (not shielding tensors). ; ---- 42406,42412 ---- +--- 42407,42413 ---- _item_description.description ; @@ -12553,7 +12563,7 @@ or chemical shift tensors (not shielding tensors). ; ---- 42441,42447 ---- +--- 42442,42448 ---- _item_description.description ; @@ -12570,7 +12580,7 @@ shifts or chemical shift tensors (not shielding tensors). ; ---- 42475,42481 ---- +--- 42476,42482 ---- _item_description.description ; @@ -12587,7 +12597,7 @@ in the 'sample conditions' section of the deposition. ; ---- 42549,42555 ---- +--- 42550,42556 ---- _item_description.description ; @@ -12604,7 +12614,7 @@ is the saveframe where the chemical shift referencing standards are described. ; ---- 42588,42594 ---- +--- 42589,42595 ---- _item_description.description ; @@ -12621,7 +12631,7 @@ chemical shifts. ; ---- 42604,42610 ---- +--- 42605,42611 ---- _item_description.description ; @@ -12638,7 +12648,7 @@ contained in the saveframe. ; ---- 42776,42782 ---- +--- 42777,42783 ---- _item_description.description ; @@ -12655,7 +12665,7 @@ chemical shift data from other saveframes of this category in an entry. ; ---- 42808,42814 ---- +--- 42809,42815 ---- _item_description.description ; @@ -12672,7 +12682,7 @@ to calculate the theoretical chemical shifts are located. ; ---- 42899,42905 ---- +--- 42900,42906 ---- _item_description.description ; @@ -12689,7 +12699,7 @@ by the depositor to the set of tensors. ; ---- 42930,42936 ---- +--- 42931,42937 ---- _item_description.description ; @@ -12707,7 +12717,7 @@ tag. ; ---- 43066,43073 ---- +--- 43067,43074 ---- _item_description.description ; @@ -12725,7 +12735,7 @@ (i.e., H, C, P, etc). ; ---- 43244,43250 ---- +--- 43245,43251 ---- _item_description.description ; @@ -12742,7 +12752,7 @@ or any of its related tags. ; ---- 43260,43266 ---- +--- 43261,43267 ---- _item_description.description ; @@ -12761,7 +12771,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 43321,43329 ---- +--- 43322,43330 ---- _item_description.description ; @@ -12782,7 +12792,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 43354,43362 ---- +--- 43355,43363 ---- _item_description.description ; @@ -12801,7 +12811,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 43380,43386 ---- +--- 43381,43387 ---- _item_description.description ; @@ -12818,7 +12828,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 43404,43410 ---- +--- 43405,43411 ---- _item_description.description ; @@ -12835,7 +12845,7 @@ constants.. ; ---- 43498,43504 ---- +--- 43499,43505 ---- _item_description.description ; @@ -12852,7 +12862,7 @@ constant values from other saveframes of this category in an entry. ; ---- 43530,43536 ---- +--- 43531,43537 ---- _item_description.description ; @@ -12869,7 +12879,7 @@ the data. ; ---- 43610,43616 ---- +--- 43611,43617 ---- _item_description.description ; @@ -12886,7 +12896,7 @@ in the text block that is the value to the '_Coupling_constant_list.Text_data' tag. ; ---- 43669,43675 ---- +--- 43670,43676 ---- _item_description.description ; @@ -12904,7 +12914,7 @@ the standard nomenclature for coupling constants used in the NMR community. ; ---- 43999,44006 ---- +--- 44000,44007 ---- _item_description.description ; @@ -12922,7 +12932,7 @@ or any of its related tags. ; ---- 44136,44142 ---- +--- 44137,44143 ---- _item_description.description ; @@ -12940,7 +12950,7 @@ groups like the glycine alpha protons and other methylene groups. ; ---- 44152,44159 ---- +--- 44153,44160 ---- _item_description.description ; @@ -12958,7 +12968,7 @@ or any of its related tags. ; ---- 44289,44295 ---- +--- 44290,44296 ---- _item_description.description ; @@ -12976,7 +12986,7 @@ groups like the glycine alpha protons and other methylene groups. ; ---- 44305,44312 ---- +--- 44306,44313 ---- _item_description.description ; @@ -12994,7 +13004,7 @@ defined value cannot be obtained. ; ---- 44337,44343 ---- +--- 44338,44344 ---- _item_description.description ; @@ -13011,7 +13021,7 @@ value cannot be obtained. ; ---- 44353,44359 ---- +--- 44354,44360 ---- _item_description.description ; @@ -13030,7 +13040,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 44414,44422 ---- +--- 44415,44423 ---- _item_description.description ; @@ -13050,7 +13060,7 @@ describes the structure. ; ---- 44432,44439 ---- +--- 44433,44440 ---- _item_description.description ; @@ -13070,7 +13080,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 44449,44457 ---- +--- 44450,44458 ---- _item_description.description ; @@ -13089,7 +13099,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 44475,44481 ---- +--- 44476,44482 ---- _item_description.description ; @@ -13106,7 +13116,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 44499,44505 ---- +--- 44500,44506 ---- _item_description.description ; @@ -13125,7 +13135,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 44523,44531 ---- +--- 44524,44532 ---- _item_description.description ; @@ -13145,7 +13155,7 @@ describes the structure. ; ---- 44541,44548 ---- +--- 44542,44549 ---- _item_description.description ; @@ -13165,7 +13175,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 44558,44566 ---- +--- 44559,44567 ---- _item_description.description ; @@ -13184,7 +13194,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 44584,44590 ---- +--- 44585,44591 ---- _item_description.description ; @@ -13201,7 +13211,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 44608,44614 ---- +--- 44609,44615 ---- _item_description.description ; @@ -13218,7 +13228,7 @@ constants.. ; ---- 44717,44723 ---- +--- 44718,44724 ---- _item_description.description ; @@ -13235,7 +13245,7 @@ constant values from other saveframes of this category in an entry. ; ---- 44749,44755 ---- +--- 44750,44756 ---- _item_description.description ; @@ -13252,7 +13262,7 @@ the data. ; ---- 44829,44835 ---- +--- 44830,44836 ---- _item_description.description ; @@ -13270,7 +13280,7 @@ tag. ; ---- 44888,44895 ---- +--- 44889,44896 ---- _item_description.description ; @@ -13289,7 +13299,7 @@ the standard nomenclature for coupling constants used in the NMR community. ; ---- 45219,45226 ---- +--- 45220,45227 ---- _item_description.description ; @@ -13307,7 +13317,7 @@ or any of its related tags. ; ---- 45356,45362 ---- +--- 45357,45363 ---- _item_description.description ; @@ -13325,7 +13335,7 @@ groups like the glycine alpha protons and other methylene groups. ; ---- 45372,45379 ---- +--- 45373,45380 ---- _item_description.description ; @@ -13343,7 +13353,7 @@ or any of its related tags. ; ---- 45509,45515 ---- +--- 45510,45516 ---- _item_description.description ; @@ -13361,7 +13371,7 @@ groups like the glycine alpha protons and other methylene groups. ; ---- 45525,45532 ---- +--- 45526,45533 ---- _item_description.description ; @@ -13379,7 +13389,7 @@ defined value cannot be obtained. ; ---- 45557,45563 ---- +--- 45558,45564 ---- _item_description.description ; @@ -13396,7 +13406,7 @@ value cannot be obtained. ; ---- 45573,45579 ---- +--- 45574,45580 ---- _item_description.description ; @@ -13415,7 +13425,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 45634,45642 ---- +--- 45635,45643 ---- _item_description.description ; @@ -13436,7 +13446,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 45652,45660 ---- +--- 45653,45661 ---- _item_description.description ; @@ -13455,7 +13465,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 45678,45684 ---- +--- 45679,45685 ---- _item_description.description ; @@ -13472,7 +13482,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 45702,45708 ---- +--- 45703,45709 ---- _item_description.description ; @@ -13491,7 +13501,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 45726,45734 ---- +--- 45727,45735 ---- _item_description.description ; @@ -13512,7 +13522,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 45744,45752 ---- +--- 45745,45753 ---- _item_description.description ; @@ -13531,7 +13541,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 45770,45776 ---- +--- 45771,45777 ---- _item_description.description ; @@ -13548,7 +13558,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 45794,45800 ---- +--- 45795,45801 ---- _item_description.description ; @@ -13565,7 +13575,7 @@ the NMR spectrum from which the peak list originated. ; ---- 46050,46056 ---- +--- 46051,46057 ---- _item_description.description ; @@ -13582,7 +13592,7 @@ in the text block that is the value to the '_Spectral_peak_list.Text_data' tag. ; ---- 46219,46225 ---- +--- 46220,46226 ---- _item_description.description ; @@ -13599,7 +13609,7 @@ spectrum. ; ---- 46278,46284 ---- +--- 46279,46285 ---- _item_description.description ; @@ -13616,7 +13626,7 @@ (i.e., H, C, P, etc). ; ---- 46357,46363 ---- +--- 46358,46364 ---- _item_description.description ; @@ -13633,7 +13643,7 @@ in the spectral region observed in the dimension of the spectrum. ; ---- 46404,46410 ---- +--- 46405,46411 ---- _item_description.description ; @@ -13652,7 +13662,7 @@ nitrogen in an 1H-15N HSQC experiment. ; ---- 46428,46436 ---- +--- 46429,46437 ---- _item_description.description ; @@ -13664,7 +13674,7 @@ *************** *** 44606,44611 **** ---- 46567,46581 ---- +--- 46568,46582 ---- _item.mandatory_code no _item_type.code 'yes_no' @@ -13682,7 +13692,7 @@ *************** *** 44621,44626 **** ---- 46591,46605 ---- +--- 46592,46606 ---- _item.mandatory_code no _item_type.code 'yes_no' @@ -13707,7 +13717,7 @@ in another dimension in for example a reduced dimensionality experiment. ; ---- 46622,46628 ---- +--- 46623,46629 ---- _item_description.description ; @@ -13724,7 +13734,7 @@ source of the magnetization that has been encoded. ; ---- 46646,46652 ---- +--- 46647,46653 ---- _item_description.description ; @@ -13734,7 +13744,7 @@ *************** *** 44786,44791 **** ---- 46765,46779 ---- +--- 46766,46780 ---- _item.mandatory_code no _item_type.code 'yes_no' @@ -13759,7 +13769,7 @@ _item_type.code 'int' ---- 46987,46994 ---- +--- 46988,46995 ---- _item.name '_peak.index_id' _item.category_id 'peak' @@ -13779,7 +13789,7 @@ '_assigned_spectral_transition.peak_id' 'assigned_spectral_transition' yes '_gen_dist_constraint.spectral_peak_id' 'gen_dist_constraint' yes '_dist_constraint_value.spectral_peak_id' 'dist_constraint_value' yes ---- 47011,47020 ---- +--- 47012,47021 ---- '_peak_char.peak_id' 'peak_char' yes '_assigned_peak_chem_shift.peak_id' 'assigned_peak_chem_shift' yes '_peak_row_format.id' 'peak_row_format' yes @@ -13801,7 +13811,7 @@ '_assigned_spectral_transition.peak_id' '_peak.id' '_gen_dist_constraint.spectral_peak_id' '_peak.id' '_dist_constraint_value.spectral_peak_id' '_peak.id' ---- 47030,47039 ---- +--- 47031,47040 ---- '_peak_char.peak_id' '_peak.id' '_assigned_peak_chem_shift.peak_id' '_peak.id' '_peak_row_format.id' '_peak.id' @@ -13821,7 +13831,7 @@ that the peak listed represents a real piece of data. ; ---- 47050,47056 ---- +--- 47051,47057 ---- _item_description.description ; @@ -13838,7 +13848,7 @@ dimensional structure of the molecular system. ; ---- 47066,47072 ---- +--- 47067,47073 ---- _item_description.description ; @@ -13848,7 +13858,7 @@ *************** *** 45084,45089 **** ---- 47075,47088 ---- +--- 47076,47089 ---- _item.mandatory_code no _item_type.code 'yes_no' @@ -13872,7 +13882,7 @@ spectral peak. ; ---- 47451,47457 ---- +--- 47452,47458 ---- _item_description.description ; @@ -13882,7 +13892,7 @@ *************** *** 45481,45486 **** ---- 47480,47487 ---- +--- 47481,47488 ---- sxt sextet t triplet td 'triplet of doublets' @@ -13901,7 +13911,7 @@ peak. ; ---- 47494,47501 ---- +--- 47495,47502 ---- _item_description.description ; @@ -13920,7 +13930,7 @@ peak. ; ---- 47511,47518 ---- +--- 47512,47519 ---- _item_description.description ; @@ -13939,7 +13949,7 @@ in chemical shift centered on the peak chemical shift. ; ---- 47528,47535 ---- +--- 47529,47536 ---- _item_description.description ; @@ -13957,7 +13967,7 @@ or other form of grouping implemented by software or by the user. ; ---- 47662,47668 ---- +--- 47663,47669 ---- _item_description.description ; @@ -13974,7 +13984,7 @@ through a magnetization transfer event. ; ---- 47678,47684 ---- +--- 47679,47685 ---- _item_description.description ; @@ -13991,7 +14001,7 @@ shift value. ; ---- 47739,47745 ---- +--- 47740,47746 ---- _item_description.description ; @@ -14009,7 +14019,7 @@ the value does not need to to the value for Peak_ID. ; ---- 47890,47897 ---- +--- 47891,47898 ---- _item_description.description ; @@ -14029,7 +14039,7 @@ correspond to the value for Entity_ID. ; ---- 47907,47915 ---- +--- 47908,47916 ---- _item_description.description ; @@ -14050,7 +14060,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 47925,47933 ---- +--- 47926,47934 ---- _item_description.description ; @@ -14069,7 +14079,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 47943,47949 ---- +--- 47944,47950 ---- _item_description.description ; @@ -14086,7 +14096,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 47959,47965 ---- +--- 47960,47966 ---- _item_description.description ; @@ -14103,7 +14113,7 @@ that the peak listed represents a real piece of data. ; ---- 48196,48202 ---- +--- 48197,48203 ---- _item_description.description ; @@ -14120,7 +14130,7 @@ dimensional structure of the molecular system. ; ---- 48212,48218 ---- +--- 48213,48219 ---- _item_description.description ; @@ -14130,7 +14140,7 @@ *************** *** 46220,46225 **** ---- 48221,48234 ---- +--- 48222,48235 ---- _item.mandatory_code no _item_type.code 'yes_no' @@ -14156,7 +14166,7 @@ residue ambiguities, etc. ; ---- 48446,48454 ---- +--- 48447,48455 ---- _item_description.description ; @@ -14175,7 +14185,7 @@ of 4, 5, or 6 that form a known set of related chemical shift assignments. ; ---- 48464,48470 ---- +--- 48465,48471 ---- _item_description.description ; @@ -14194,7 +14204,7 @@ residue ambiguities, etc. ; ---- 48570,48578 ---- +--- 48571,48579 ---- _item_description.description ; @@ -14213,7 +14223,7 @@ of 4, 5, or 6 that form a known set of related chemical shift assignments. ; ---- 48588,48594 ---- +--- 48589,48595 ---- _item_description.description ; @@ -14232,7 +14242,7 @@ residue ambiguities, etc. ; ---- 48694,48702 ---- +--- 48695,48703 ---- _item_description.description ; @@ -14251,7 +14261,7 @@ of 4, 5, or 6 that form a known set of related chemical shift assignments. ; ---- 48712,48718 ---- +--- 48713,48719 ---- _item_description.description ; @@ -14270,7 +14280,7 @@ residue ambiguities, etc. ; ---- 48818,48826 ---- +--- 48819,48827 ---- _item_description.description ; @@ -14289,7 +14299,7 @@ of 4, 5, or 6 that form a known set of related chemical shift assignments. ; ---- 48836,48842 ---- +--- 48837,48843 ---- _item_description.description ; @@ -14308,7 +14318,7 @@ residue ambiguities, etc. ; ---- 48942,48950 ---- +--- 48943,48951 ---- _item_description.description ; @@ -14327,7 +14337,7 @@ of 4, 5, or 6 that form a known set of related chemical shift assignments. ; ---- 48960,48966 ---- +--- 48961,48967 ---- _item_description.description ; @@ -14344,7 +14354,7 @@ that the peak listed represents a real piece of data. ; ---- 49096,49102 ---- +--- 49097,49103 ---- _item_description.description ; @@ -14362,7 +14372,7 @@ spectral transition. ; ---- 49502,49509 ---- +--- 49503,49510 ---- _item_description.description ; @@ -14381,7 +14391,7 @@ spectral transition. ; ---- 49519,49526 ---- +--- 49520,49527 ---- _item_description.description ; @@ -14401,7 +14411,7 @@ transition. ; ---- 49536,49544 ---- +--- 49537,49545 ---- _item_description.description ; @@ -14420,7 +14430,7 @@ specified atom. ; ---- 49656,49662 ---- +--- 49657,49663 ---- _item_description.description ; @@ -14437,7 +14447,7 @@ be by spin-system or other form of grouping implemented by software or by the user. ; ---- 49687,49693 ---- +--- 49688,49694 ---- _item_description.description ; @@ -14454,7 +14464,7 @@ through a magnetization transfer event. ; ---- 49703,49709 ---- +--- 49704,49710 ---- _item_description.description ; @@ -14471,7 +14481,7 @@ contained in the saveframe. ; ---- 49969,49975 ---- +--- 49970,49976 ---- _item_description.description ; @@ -14488,7 +14498,7 @@ information from other saveframes of this category in an entry. ; ---- 50000,50006 ---- +--- 50001,50007 ---- _item_description.description ; @@ -14505,7 +14515,7 @@ linker list saveframe. ; ---- 50054,50060 ---- +--- 50055,50061 ---- _item_description.description ; @@ -14523,7 +14533,7 @@ then the offset is -1. ; ---- 50865,50872 ---- +--- 50866,50873 ---- _item_description.description ; @@ -14541,7 +14551,7 @@ link in an assignment process. ; ---- 50912,50918 ---- +--- 50913,50919 ---- _item_description.description ; @@ -14558,7 +14568,7 @@ contained in the saveframe. ; ---- 50998,51004 ---- +--- 50999,51005 ---- _item_description.description ; @@ -14575,7 +14585,7 @@ isotope effect values from other saveframes of this category in an entry. ; ---- 51030,51036 ---- +--- 51031,51037 ---- _item_description.description ; @@ -14592,7 +14602,7 @@ effect data and its derivation. ; ---- 51142,51148 ---- +--- 51143,51149 ---- _item_description.description ; @@ -14610,7 +14620,7 @@ tag. ; ---- 51158,51165 ---- +--- 51159,51166 ---- _item_description.description ; @@ -14628,7 +14638,7 @@ (i.e., H, C, P, etc). ; ---- 51594,51600 ---- +--- 51595,51601 ---- _item_description.description ; @@ -14645,7 +14655,7 @@ or any of its related tags. ; ---- 51610,51616 ---- +--- 51611,51617 ---- _item_description.description ; @@ -14662,7 +14672,7 @@ a control isotopically labeled sample. ; ---- 51664,51670 ---- +--- 51665,51671 ---- _item_description.description ; @@ -14679,7 +14689,7 @@ molecular assembly in a control isotopically labeled sample. ; ---- 51680,51686 ---- +--- 51681,51687 ---- _item_description.description ; @@ -14696,7 +14706,7 @@ the experimental isotopically labeled sample. ; ---- 51726,51732 ---- +--- 51727,51733 ---- _item_description.description ; @@ -14713,7 +14723,7 @@ molecular assembly in a experimental isotopically labeled sample. ; ---- 51742,51748 ---- +--- 51743,51749 ---- _item_description.description ; @@ -14730,7 +14740,7 @@ in the molecular assembly. ; ---- 51773,51779 ---- +--- 51774,51780 ---- _item_description.description ; @@ -14749,7 +14759,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 51819,51827 ---- +--- 51820,51828 ---- _item_description.description ; @@ -14770,7 +14780,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 51837,51845 ---- +--- 51838,51846 ---- _item_description.description ; @@ -14789,7 +14799,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 51863,51869 ---- +--- 51864,51870 ---- _item_description.description ; @@ -14806,7 +14816,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 51887,51893 ---- +--- 51888,51894 ---- _item_description.description ; @@ -14823,7 +14833,7 @@ (i.e., H, C, P, etc). ; ---- 52104,52110 ---- +--- 52105,52111 ---- _item_description.description ; @@ -14840,7 +14850,7 @@ or any of its related tags. ; ---- 52120,52126 ---- +--- 52121,52127 ---- _item_description.description ; @@ -14859,7 +14869,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 52136,52144 ---- +--- 52137,52145 ---- _item_description.description ; @@ -14880,7 +14890,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 52154,52162 ---- +--- 52155,52163 ---- _item_description.description ; @@ -14899,7 +14909,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 52180,52186 ---- +--- 52181,52187 ---- _item_description.description ; @@ -14916,7 +14926,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 52204,52210 ---- +--- 52205,52211 ---- _item_description.description ; @@ -14933,7 +14943,7 @@ contained in the saveframe. ; ---- 52298,52304 ---- +--- 52299,52305 ---- _item_description.description ; @@ -14950,7 +14960,7 @@ information from other saveframes of this category in an entry. ; ---- 52330,52336 ---- +--- 52331,52337 ---- _item_description.description ; @@ -14967,7 +14977,7 @@ is the saveframe where the chemical shift referencing standards are described. ; ---- 52452,52458 ---- +--- 52453,52459 ---- _item_description.description ; @@ -14984,7 +14994,7 @@ data and their derivation. ; ---- 52468,52474 ---- +--- 52469,52475 ---- _item_description.description ; @@ -15003,7 +15013,7 @@ ; _item.name '_chem_shift_perturbation_list.text_data_format' ---- 52484,52492 ---- +--- 52485,52493 ---- _item_description.description ; @@ -15022,7 +15032,7 @@ as ASCII text. ; ---- 52501,52507 ---- +--- 52502,52508 ---- _item_description.description ; @@ -15039,7 +15049,7 @@ caused by the interaction between two members of the molecular assembly. ; ---- 52801,52807 ---- +--- 52802,52808 ---- _item_description.description ; @@ -15056,7 +15066,7 @@ (i.e., H, C, P, etc). ; ---- 52922,52928 ---- +--- 52923,52929 ---- _item_description.description ; @@ -15073,7 +15083,7 @@ or any of its related tags. ; ---- 52938,52944 ---- +--- 52939,52945 ---- _item_description.description ; @@ -15090,7 +15100,7 @@ that are interacting with it. ; ---- 52954,52960 ---- +--- 52955,52961 ---- _item_description.description ; @@ -15108,7 +15118,7 @@ other molecules. ; ---- 52985,52992 ---- +--- 52986,52993 ---- _item_description.description ; @@ -15128,7 +15138,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 53032,53040 ---- +--- 53033,53041 ---- _item_description.description ; @@ -15149,7 +15159,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 53050,53058 ---- +--- 53051,53059 ---- _item_description.description ; @@ -15168,7 +15178,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 53076,53082 ---- +--- 53077,53083 ---- _item_description.description ; @@ -15185,7 +15195,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 53100,53106 ---- +--- 53101,53107 ---- _item_description.description ; @@ -15202,7 +15212,7 @@ contained in the saveframe. ; ---- 53194,53200 ---- +--- 53195,53201 ---- _item_description.description ; @@ -15219,7 +15229,7 @@ anisotropy data from other saveframes of this category in an entry. ; ---- 53226,53232 ---- +--- 53227,53233 ---- _item_description.description ; @@ -15237,7 +15247,7 @@ tag. ; ---- 53369,53376 ---- +--- 53370,53377 ---- _item_description.description ; @@ -15255,7 +15265,7 @@ (i.e., H, C, P, etc). ; ---- 53805,53811 ---- +--- 53806,53812 ---- _item_description.description ; @@ -15272,7 +15282,7 @@ or any of its related tags. ; ---- 53821,53827 ---- +--- 53822,53828 ---- _item_description.description ; @@ -15291,7 +15301,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 53987,53995 ---- +--- 53988,53996 ---- _item_description.description ; @@ -15312,7 +15322,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 54005,54013 ---- +--- 54006,54014 ---- _item_description.description ; @@ -15331,7 +15341,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 54031,54037 ---- +--- 54032,54038 ---- _item_description.description ; @@ -15348,7 +15358,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 54055,54061 ---- +--- 54056,54062 ---- _item_description.description ; @@ -15365,7 +15375,7 @@ contained in the saveframe. ; ---- 54149,54155 ---- +--- 54150,54156 ---- _item_description.description ; @@ -15382,7 +15392,7 @@ the data for determination of the residual dipolar coupling values. ; ---- 54245,54251 ---- +--- 54246,54252 ---- _item_description.description ; @@ -15399,7 +15409,7 @@ the data. ; ---- 54261,54267 ---- +--- 54262,54268 ---- _item_description.description ; @@ -15416,7 +15426,7 @@ calculating the RDC constraints. ; ---- 54285,54291 ---- +--- 54286,54292 ---- _item_description.description ; @@ -15426,7 +15436,7 @@ *************** *** 52286,52291 **** ---- 54295,54309 ---- +--- 54296,54310 ---- _item_type.code 'yes_no' loop_ @@ -15452,7 +15462,7 @@ is the axial symmetric component of the alignment tensor (1/3(Azz-(Axx+Ayy)/2). ; ---- 54333,54340 ---- +--- 54334,54341 ---- _item_description.description ; @@ -15471,7 +15481,7 @@ is the rhombic component of the alignment tensor (1/3(Axx-Ayy)). ; ---- 54350,54357 ---- +--- 54351,54358 ---- _item_description.description ; @@ -15490,7 +15500,7 @@ is S, the local order parameter for internal motions. ; ---- 54367,54374 ---- +--- 54368,54375 ---- _item_description.description ; @@ -15508,7 +15518,7 @@ ASCII text in the text block that is the value to the '_RDC_list.Text_data' tag. ; ---- 54444,54450 ---- +--- 54445,54451 ---- _item_description.description ; @@ -15525,7 +15535,7 @@ dipolar coupling. ; ---- 54774,54780 ---- +--- 54775,54781 ---- _item_description.description ; @@ -15542,7 +15552,7 @@ or any of its related tags. ; ---- 54910,54916 ---- +--- 54911,54917 ---- _item_description.description ; @@ -15559,7 +15569,7 @@ to the residual dipolar coupling constant. ; ---- 54926,54932 ---- +--- 54927,54933 ---- _item_description.description ; @@ -15576,7 +15586,7 @@ or any of its related tags. ; ---- 55062,55068 ---- +--- 55063,55069 ---- _item_description.description ; @@ -15593,7 +15603,7 @@ to the residual dipolar coupling constant. ; ---- 55078,55084 ---- +--- 55079,55085 ---- _item_description.description ; @@ -15610,7 +15620,7 @@ the minimum estimated value. ; ---- 55109,55115 ---- +--- 55110,55116 ---- _item_description.description ; @@ -15627,7 +15637,7 @@ the maximum estimated value. ; ---- 55125,55131 ---- +--- 55126,55132 ---- _item_description.description ; @@ -15646,7 +15656,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 55201,55209 ---- +--- 55202,55210 ---- _item_description.description ; @@ -15667,7 +15677,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 55219,55227 ---- +--- 55220,55228 ---- _item_description.description ; @@ -15686,7 +15696,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 55245,55251 ---- +--- 55246,55252 ---- _item_description.description ; @@ -15703,7 +15713,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 55269,55275 ---- +--- 55270,55276 ---- _item_description.description ; @@ -15722,7 +15732,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 55293,55301 ---- +--- 55294,55302 ---- _item_description.description ; @@ -15743,7 +15753,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 55311,55319 ---- +--- 55312,55320 ---- _item_description.description ; @@ -15762,7 +15772,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 55337,55343 ---- +--- 55338,55344 ---- _item_description.description ; @@ -15779,7 +15789,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 55361,55367 ---- +--- 55362,55368 ---- _item_description.description ; @@ -15796,7 +15806,7 @@ contained in the saveframe. ; ---- 55455,55461 ---- +--- 55456,55462 ---- _item_description.description ; @@ -15813,7 +15823,7 @@ the data for determination of the residual dipolar coupling values. ; ---- 55551,55557 ---- +--- 55552,55558 ---- _item_description.description ; @@ -15830,7 +15840,7 @@ the data. ; ---- 55567,55573 ---- +--- 55568,55574 ---- _item_description.description ; @@ -15847,7 +15857,7 @@ in this field. ; ---- 55621,55627 ---- +--- 55622,55628 ---- _item_description.description ; @@ -15864,7 +15874,7 @@ in the text block that is the value to the '_Dipolar_coupling.Text_data' tag. ; ---- 55637,55643 ---- +--- 55638,55644 ---- _item_description.description ; @@ -15881,7 +15891,7 @@ dipolar coupling. ; ---- 55967,55973 ---- +--- 55968,55974 ---- _item_description.description ; @@ -15898,7 +15908,7 @@ or any of its related tags. ; ---- 56103,56109 ---- +--- 56104,56110 ---- _item_description.description ; @@ -15915,7 +15925,7 @@ to the dipolar coupling constant. ; ---- 56119,56125 ---- +--- 56120,56126 ---- _item_description.description ; @@ -15932,7 +15942,7 @@ or any of its related tags. ; ---- 56255,56261 ---- +--- 56256,56262 ---- _item_description.description ; @@ -15949,7 +15959,7 @@ to the dipolar coupling constant. ; ---- 56271,56277 ---- +--- 56272,56278 ---- _item_description.description ; @@ -15966,7 +15976,7 @@ cannot be obtained. ; ---- 56302,56308 ---- +--- 56303,56309 ---- _item_description.description ; @@ -15983,7 +15993,7 @@ value cannot be obtained. ; ---- 56318,56324 ---- +--- 56319,56325 ---- _item_description.description ; @@ -16002,7 +16012,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 56424,56432 ---- +--- 56425,56433 ---- _item_description.description ; @@ -16023,7 +16033,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 56442,56450 ---- +--- 56443,56451 ---- _item_description.description ; @@ -16042,7 +16052,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 56468,56474 ---- +--- 56469,56475 ---- _item_description.description ; @@ -16059,7 +16069,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 56492,56498 ---- +--- 56493,56499 ---- _item_description.description ; @@ -16078,7 +16088,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 56516,56524 ---- +--- 56517,56525 ---- _item_description.description ; @@ -16099,7 +16109,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 56534,56542 ---- +--- 56535,56543 ---- _item_description.description ; @@ -16118,7 +16128,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 56560,56566 ---- +--- 56561,56567 ---- _item_description.description ; @@ -16135,7 +16145,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 56584,56590 ---- +--- 56585,56591 ---- _item_description.description ; @@ -16152,7 +16162,7 @@ contained in the saveframe. ; ---- 56678,56684 ---- +--- 56679,56685 ---- _item_description.description ; @@ -16169,7 +16179,7 @@ data from other saveframes of this category in an entry. ; ---- 56710,56716 ---- +--- 56711,56717 ---- _item_description.description ; @@ -16186,7 +16196,7 @@ the data for determination of the spectral density values. ; ---- 56775,56781 ---- +--- 56776,56782 ---- _item_description.description ; @@ -16203,7 +16213,7 @@ in the text block that is the value to the '_Spectral_density_list.Text_data' tag. ; ---- 56806,56812 ---- +--- 56807,56813 ---- _item_description.description ; @@ -16220,7 +16230,7 @@ (i.e., H, C, P, etc). ; ---- 57241,57247 ---- +--- 57242,57248 ---- _item_description.description ; @@ -16237,7 +16247,7 @@ or any of its related tags. ; ---- 57257,57263 ---- +--- 57258,57264 ---- _item_description.description ; @@ -16256,7 +16266,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 57408,57416 ---- +--- 57409,57417 ---- _item_description.description ; @@ -16277,7 +16287,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 57426,57434 ---- +--- 57427,57435 ---- _item_description.description ; @@ -16296,7 +16306,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 57452,57458 ---- +--- 57453,57459 ---- _item_description.description ; @@ -16313,7 +16323,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 57476,57482 ---- +--- 57477,57483 ---- _item_description.description ; @@ -16330,7 +16340,7 @@ contained in the saveframe. ; ---- 57570,57576 ---- +--- 57571,57577 ---- _item_description.description ; @@ -16347,7 +16357,7 @@ ASCII text in the text block that is the value to the '_Other_data_type.Text_data' tag. ; ---- 57710,57716 ---- +--- 57711,57717 ---- _item_description.description ; @@ -16364,7 +16374,7 @@ (i.e., H, C, P, etc). ; ---- 58145,58151 ---- +--- 58146,58152 ---- _item_description.description ; @@ -16381,7 +16391,7 @@ or any of its related tags. ; ---- 58161,58167 ---- +--- 58162,58168 ---- _item_description.description ; @@ -16400,7 +16410,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 58222,58230 ---- +--- 58223,58231 ---- _item_description.description ; @@ -16421,7 +16431,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 58240,58248 ---- +--- 58241,58249 ---- _item_description.description ; @@ -16440,7 +16450,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 58266,58272 ---- +--- 58267,58273 ---- _item_description.description ; @@ -16457,7 +16467,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 58290,58296 ---- +--- 58291,58297 ---- _item_description.description ; @@ -16474,7 +16484,7 @@ contained in the saveframe. ; ---- 58384,58390 ---- +--- 58385,58391 ---- _item_description.description ; @@ -16491,7 +16501,7 @@ the data for determination of the kinetic rates. ; ---- 58480,58486 ---- +--- 58481,58487 ---- _item_description.description ; @@ -16508,7 +16518,7 @@ text block that is the value to the '_Chemical_rate_list.Text_data' tag. ; ---- 58511,58517 ---- +--- 58512,58518 ---- _item_description.description ; @@ -16525,7 +16535,7 @@ (i.e., H, C, P, etc). ; ---- 58960,58966 ---- +--- 58961,58967 ---- _item_description.description ; @@ -16542,7 +16552,7 @@ or any of its related tags. ; ---- 58976,58982 ---- +--- 58977,58983 ---- _item_description.description ; @@ -16559,7 +16569,7 @@ be obtained. ; ---- 59022,59028 ---- +--- 59023,59029 ---- _item_description.description ; @@ -16576,7 +16586,7 @@ be obtained. ; ---- 59038,59044 ---- +--- 59039,59045 ---- _item_description.description ; @@ -16595,7 +16605,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 59107,59115 ---- +--- 59108,59116 ---- _item_description.description ; @@ -16616,7 +16626,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 59125,59133 ---- +--- 59126,59134 ---- _item_description.description ; @@ -16635,7 +16645,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 59151,59157 ---- +--- 59152,59158 ---- _item_description.description ; @@ -16652,7 +16662,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 59175,59181 ---- +--- 59176,59182 ---- _item_description.description ; @@ -16669,7 +16679,7 @@ contained in the saveframe. ; ---- 59269,59275 ---- +--- 59270,59276 ---- _item_description.description ; @@ -16686,7 +16696,7 @@ the data for determination of the H-exchange rates. ; ---- 59365,59371 ---- +--- 59366,59372 ---- _item_description.description ; @@ -16703,7 +16713,7 @@ in the text block that is the value to the '_H_exch_rate_list.Text_data' tag. ; ---- 59433,59439 ---- +--- 59434,59440 ---- _item_description.description ; @@ -16720,7 +16730,7 @@ (i.e., H, C, P, etc). ; ---- 59868,59874 ---- +--- 59869,59875 ---- _item_description.description ; @@ -16737,7 +16747,7 @@ or any of its related tags. ; ---- 59884,59890 ---- +--- 59885,59891 ---- _item_description.description ; @@ -16754,7 +16764,7 @@ value cannot be obtained. ; ---- 59915,59921 ---- +--- 59916,59922 ---- _item_description.description ; @@ -16771,7 +16781,7 @@ value cannot be obtained. ; ---- 59931,59937 ---- +--- 59932,59938 ---- _item_description.description ; @@ -16790,7 +16800,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 59977,59985 ---- +--- 59978,59986 ---- _item_description.description ; @@ -16811,7 +16821,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 59995,60003 ---- +--- 59996,60004 ---- _item_description.description ; @@ -16830,7 +16840,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 60021,60027 ---- +--- 60022,60028 ---- _item_description.description ; @@ -16847,7 +16857,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 60045,60051 ---- +--- 60046,60052 ---- _item_description.description ; @@ -16864,7 +16874,7 @@ contained in the saveframe. ; ---- 60139,60145 ---- +--- 60140,60146 ---- _item_description.description ; @@ -16881,7 +16891,7 @@ protection factor data from other saveframes of this category in an entry. ; ---- 60171,60177 ---- +--- 60172,60178 ---- _item_description.description ; @@ -16898,7 +16908,7 @@ the data for determination of the H-exchange protection factors. ; ---- 60236,60242 ---- +--- 60237,60243 ---- _item_description.description ; @@ -16916,7 +16926,7 @@ determine the reported protection factors. ; ---- 60267,60274 ---- +--- 60268,60275 ---- _item_description.description ; @@ -16935,7 +16945,7 @@ tag. ; ---- 60299,60306 ---- +--- 60300,60307 ---- _item_description.description ; @@ -16953,7 +16963,7 @@ (i.e., H, C, P, etc). ; ---- 60735,60741 ---- +--- 60736,60742 ---- _item_description.description ; @@ -16970,7 +16980,7 @@ or any of its related tags. ; ---- 60751,60757 ---- +--- 60752,60758 ---- _item_description.description ; @@ -16989,7 +16999,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 60827,60835 ---- +--- 60828,60836 ---- _item_description.description ; @@ -17010,7 +17020,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 60845,60853 ---- +--- 60846,60854 ---- _item_description.description ; @@ -17029,7 +17039,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 60871,60877 ---- +--- 60872,60878 ---- _item_description.description ; @@ -17046,7 +17056,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 60895,60901 ---- +--- 60896,60902 ---- _item_description.description ; @@ -17063,7 +17073,7 @@ contained in the saveframe. ; ---- 60989,60995 ---- +--- 60990,60996 ---- _item_description.description ; @@ -17080,7 +17090,7 @@ NOE data from other saveframes of this category in an entry. ; ---- 61021,61027 ---- +--- 61022,61028 ---- _item_description.description ; @@ -17097,7 +17107,7 @@ NOE data reported. ; ---- 61086,61092 ---- +--- 61087,61093 ---- _item_description.description ; @@ -17114,7 +17124,7 @@ how the actual value was determined. ; ---- 61160,61166 ---- +--- 61161,61167 ---- _item_description.description ; @@ -17131,7 +17141,7 @@ values and their derivation. ; ---- 61184,61190 ---- +--- 61185,61191 ---- _item_description.description ; @@ -17148,7 +17158,7 @@ in the text block that is the value to the '_Homonucl_NOE_list.Text_data' tag. ; ---- 61200,61206 ---- +--- 61201,61207 ---- _item_description.description ; @@ -17165,7 +17175,7 @@ or any of its related tags. ; ---- 61639,61645 ---- +--- 61640,61646 ---- _item_description.description ; @@ -17182,7 +17192,7 @@ or any of its related tags. ; ---- 61775,61781 ---- +--- 61776,61782 ---- _item_description.description ; @@ -17201,7 +17211,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 61881,61889 ---- +--- 61882,61890 ---- _item_description.description ; @@ -17222,7 +17232,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 61899,61907 ---- +--- 61900,61908 ---- _item_description.description ; @@ -17241,7 +17251,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 61925,61931 ---- +--- 61926,61932 ---- _item_description.description ; @@ -17258,7 +17268,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 61949,61955 ---- +--- 61950,61956 ---- _item_description.description ; @@ -17277,7 +17287,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 61973,61981 ---- +--- 61974,61982 ---- _item_description.description ; @@ -17298,7 +17308,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 61991,61999 ---- +--- 61992,62000 ---- _item_description.description ; @@ -17317,7 +17327,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 62017,62023 ---- +--- 62018,62024 ---- _item_description.description ; @@ -17334,7 +17344,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 62041,62047 ---- +--- 62042,62048 ---- _item_description.description ; @@ -17351,7 +17361,7 @@ contained in the saveframe. ; ---- 62135,62141 ---- +--- 62136,62142 ---- _item_description.description ; @@ -17368,7 +17378,7 @@ NOE data from other saveframes of this category in an entry. ; ---- 62175,62181 ---- +--- 62176,62182 ---- _item_description.description ; @@ -17385,7 +17395,7 @@ NOE data reported as the 1H frequency in MHz. ; ---- 62279,62285 ---- +--- 62280,62286 ---- _item_description.description ; @@ -17402,7 +17412,7 @@ in the text block that is the value to the '_Heteronucl_NOE_list.Text_data' tag. ; ---- 62392,62398 ---- +--- 62393,62399 ---- _item_description.description ; @@ -17419,7 +17429,7 @@ of heteronuclear NOE values. ; ---- 62795,62801 ---- +--- 62796,62802 ---- _item_description.description ; @@ -17436,7 +17446,7 @@ or any of its related tags. ; ---- 63003,63009 ---- +--- 63004,63010 ---- _item_description.description ; @@ -17453,7 +17463,7 @@ or any of its related tags. ; ---- 63203,63209 ---- +--- 63204,63210 ---- _item_description.description ; @@ -17472,7 +17482,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 63279,63287 ---- +--- 63280,63288 ---- _item_description.description ; @@ -17493,7 +17503,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 63297,63305 ---- +--- 63298,63306 ---- _item_description.description ; @@ -17512,7 +17522,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 63323,63329 ---- +--- 63324,63330 ---- _item_description.description ; @@ -17529,7 +17539,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 63347,63353 ---- +--- 63348,63354 ---- _item_description.description ; @@ -17548,7 +17558,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 63371,63379 ---- +--- 63372,63380 ---- _item_description.description ; @@ -17569,7 +17579,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 63389,63397 ---- +--- 63390,63398 ---- _item_description.description ; @@ -17588,7 +17598,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 63415,63421 ---- +--- 63416,63422 ---- _item_description.description ; @@ -17605,7 +17615,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 63439,63445 ---- +--- 63440,63446 ---- _item_description.description ; @@ -17622,7 +17632,7 @@ contained in the saveframe. ; ---- 63549,63555 ---- +--- 63550,63556 ---- _item_description.description ; @@ -17639,7 +17649,7 @@ heteronuclear NOE data from other saveframes of this category in an entry. ; ---- 63589,63595 ---- +--- 63590,63596 ---- _item_description.description ; @@ -17656,7 +17666,7 @@ heteronuclear NOE data reported as the 1H frequency in MHz. ; ---- 63693,63699 ---- +--- 63694,63700 ---- _item_description.description ; @@ -17673,7 +17683,7 @@ NOE. ; ---- 63717,63723 ---- +--- 63718,63724 ---- _item_description.description ; @@ -17691,7 +17701,7 @@ tag. ; ---- 63807,63814 ---- +--- 63808,63815 ---- _item_description.description ; @@ -17709,7 +17719,7 @@ in this set of theoretical heteronuclear NOE values. ; ---- 64211,64217 ---- +--- 64212,64218 ---- _item_description.description ; @@ -17726,7 +17736,7 @@ or any of its related tags. ; ---- 64419,64425 ---- +--- 64420,64426 ---- _item_description.description ; @@ -17743,7 +17753,7 @@ or any of its related tags. ; ---- 64619,64625 ---- +--- 64620,64626 ---- _item_description.description ; @@ -17762,7 +17772,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 64695,64703 ---- +--- 64696,64704 ---- _item_description.description ; @@ -17783,7 +17793,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 64713,64721 ---- +--- 64714,64722 ---- _item_description.description ; @@ -17802,7 +17812,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 64739,64745 ---- +--- 64740,64746 ---- _item_description.description ; @@ -17819,7 +17829,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 64763,64769 ---- +--- 64764,64770 ---- _item_description.description ; @@ -17838,7 +17848,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 64787,64795 ---- +--- 64788,64796 ---- _item_description.description ; @@ -17859,7 +17869,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 64805,64813 ---- +--- 64806,64814 ---- _item_description.description ; @@ -17878,7 +17888,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 64831,64837 ---- +--- 64832,64838 ---- _item_description.description ; @@ -17895,7 +17905,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 64855,64861 ---- +--- 64856,64862 ---- _item_description.description ; @@ -17912,7 +17922,7 @@ contained in the saveframe. ; ---- 64965,64971 ---- +--- 64966,64972 ---- _item_description.description ; @@ -17929,7 +17939,7 @@ T1 data from other saveframes of this category in an entry. ; ---- 64997,65003 ---- +--- 64998,65004 ---- _item_description.description ; @@ -17946,7 +17956,7 @@ the data for determination of the heteronuclear T1 relaxation values. ; ---- 65062,65068 ---- +--- 65063,65069 ---- _item_description.description ; @@ -17963,7 +17973,7 @@ the data. ; ---- 65078,65084 ---- +--- 65079,65085 ---- _item_description.description ; @@ -17973,7 +17983,7 @@ *************** *** 63099,63104 **** ---- 65117,65124 ---- +--- 65118,65125 ---- Iz 'zero quantum, longitudinal' Sz 'zero quantum, longitudinal' @@ -17991,7 +18001,7 @@ the form of the reported data as either time or rate. ; ---- 65137,65143 ---- +--- 65138,65144 ---- _item_description.description ; @@ -18009,7 +18019,7 @@ tag. ; ---- 65188,65195 ---- +--- 65189,65196 ---- _item_description.description ; @@ -18027,7 +18037,7 @@ (i.e., H, C, P, etc). ; ---- 65624,65630 ---- +--- 65625,65631 ---- _item_description.description ; @@ -18044,7 +18054,7 @@ or any of its related tags. ; ---- 65640,65646 ---- +--- 65641,65647 ---- _item_description.description ; @@ -18063,7 +18073,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 65701,65709 ---- +--- 65702,65710 ---- _item_description.description ; @@ -18084,7 +18094,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 65719,65727 ---- +--- 65720,65728 ---- _item_description.description ; @@ -18103,7 +18113,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 65745,65751 ---- +--- 65746,65752 ---- _item_description.description ; @@ -18120,7 +18130,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 65769,65775 ---- +--- 65770,65776 ---- _item_description.description ; @@ -18137,7 +18147,7 @@ contained in the saveframe. ; ---- 65863,65869 ---- +--- 65864,65870 ---- _item_description.description ; @@ -18154,7 +18164,7 @@ heteronuclear T1 data from other saveframes of this category in an entry. ; ---- 65895,65901 ---- +--- 65896,65902 ---- _item_description.description ; @@ -18171,7 +18181,7 @@ the data for determination of the theoretical heteronuclear T1 relaxation values. ; ---- 65960,65966 ---- +--- 65961,65967 ---- _item_description.description ; @@ -18188,7 +18198,7 @@ the data. ; ---- 65976,65982 ---- +--- 65977,65983 ---- _item_description.description ; @@ -18198,7 +18208,7 @@ *************** *** 63995,64000 **** ---- 66015,66022 ---- +--- 66016,66023 ---- Iz 'zero quantum, longitudinal' Sz 'zero quantum, longitudinal' @@ -18216,7 +18226,7 @@ the form of the reported data as either time or rate. ; ---- 66035,66041 ---- +--- 66036,66042 ---- _item_description.description ; @@ -18234,7 +18244,7 @@ tag. ; ---- 66086,66093 ---- +--- 66087,66094 ---- _item_description.description ; @@ -18252,7 +18262,7 @@ (i.e., H, C, P, etc). ; ---- 66522,66528 ---- +--- 66523,66529 ---- _item_description.description ; @@ -18269,7 +18279,7 @@ or any of its related tags. ; ---- 66538,66544 ---- +--- 66539,66545 ---- _item_description.description ; @@ -18288,7 +18298,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 66599,66607 ---- +--- 66600,66608 ---- _item_description.description ; @@ -18309,7 +18319,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 66617,66625 ---- +--- 66618,66626 ---- _item_description.description ; @@ -18328,7 +18338,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 66643,66649 ---- +--- 66644,66650 ---- _item_description.description ; @@ -18345,7 +18355,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 66667,66673 ---- +--- 66668,66674 ---- _item_description.description ; @@ -18362,7 +18372,7 @@ contained in the saveframe. ; ---- 66761,66767 ---- +--- 66762,66768 ---- _item_description.description ; @@ -18379,7 +18389,7 @@ T1rho data from other saveframes of this category in an entry. ; ---- 66793,66799 ---- +--- 66794,66800 ---- _item_description.description ; @@ -18396,7 +18406,7 @@ the data for determination of the heteronuclear T1rho relaxation values. ; ---- 66858,66864 ---- +--- 66859,66865 ---- _item_description.description ; @@ -18413,7 +18423,7 @@ the data. ; ---- 66874,66880 ---- +--- 66875,66881 ---- _item_description.description ; @@ -18430,7 +18440,7 @@ to collect the experimental data. ; ---- 66898,66904 ---- +--- 66899,66905 ---- _item_description.description ; @@ -18447,7 +18457,7 @@ caused by the long spin-lock pulse. ; ---- 66925,66931 ---- +--- 66926,66932 ---- _item_description.description ; @@ -18457,7 +18467,7 @@ *************** *** 64945,64950 **** ---- 66967,66974 ---- +--- 66968,66975 ---- I(+,-) 'single quantum' S(+,-) 'single quantum' @@ -18476,7 +18486,7 @@ tag. ; ---- 67055,67062 ---- +--- 67056,67063 ---- _item_description.description ; @@ -18494,7 +18504,7 @@ (i.e., H, C, P, etc). ; ---- 67491,67497 ---- +--- 67492,67498 ---- _item_description.description ; @@ -18511,7 +18521,7 @@ or any of its related tags. ; ---- 67507,67513 ---- +--- 67508,67514 ---- _item_description.description ; @@ -18530,7 +18540,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 67598,67606 ---- +--- 67599,67607 ---- _item_description.description ; @@ -18551,7 +18561,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 67616,67624 ---- +--- 67617,67625 ---- _item_description.description ; @@ -18570,7 +18580,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 67642,67648 ---- +--- 67643,67649 ---- _item_description.description ; @@ -18587,7 +18597,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 67666,67672 ---- +--- 67667,67673 ---- _item_description.description ; @@ -18604,7 +18614,7 @@ contained in the saveframe. ; ---- 67760,67766 ---- +--- 67761,67767 ---- _item_description.description ; @@ -18621,7 +18631,7 @@ T2 data from other saveframes of this category in an entry. ; ---- 67792,67798 ---- +--- 67793,67799 ---- _item_description.description ; @@ -18638,7 +18648,7 @@ the data for determination of the heteronuclear T2 relaxation values. ; ---- 67857,67863 ---- +--- 67858,67864 ---- _item_description.description ; @@ -18655,7 +18665,7 @@ to collect the experimental data. ; ---- 67873,67879 ---- +--- 67874,67880 ---- _item_description.description ; @@ -18672,7 +18682,7 @@ caused by the long spin-lock pulse. ; ---- 67900,67906 ---- +--- 67901,67907 ---- _item_description.description ; @@ -18689,7 +18699,7 @@ the data. ; ---- 67927,67933 ---- +--- 67928,67934 ---- _item_description.description ; @@ -18699,7 +18709,7 @@ *************** *** 65942,65947 **** ---- 67966,67973 ---- +--- 67967,67974 ---- I(+,-) 'single quantum' S(+,-) 'single quantum' @@ -18718,7 +18728,7 @@ tag. ; ---- 68054,68061 ---- +--- 68055,68062 ---- _item_description.description ; @@ -18736,7 +18746,7 @@ (i.e., H, C, P, etc). ; ---- 68490,68496 ---- +--- 68491,68497 ---- _item_description.description ; @@ -18753,7 +18763,7 @@ or any of its related tags. ; ---- 68506,68512 ---- +--- 68507,68513 ---- _item_description.description ; @@ -18772,7 +18782,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 68597,68605 ---- +--- 68598,68606 ---- _item_description.description ; @@ -18793,7 +18803,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 68615,68623 ---- +--- 68616,68624 ---- _item_description.description ; @@ -18812,7 +18822,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 68641,68647 ---- +--- 68642,68648 ---- _item_description.description ; @@ -18829,7 +18839,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 68665,68671 ---- +--- 68666,68672 ---- _item_description.description ; @@ -18846,7 +18856,7 @@ contained in the saveframe. ; ---- 68759,68765 ---- +--- 68760,68766 ---- _item_description.description ; @@ -18863,7 +18873,7 @@ heteronuclear T2 data from other saveframes of this category in an entry. ; ---- 68791,68797 ---- +--- 68792,68798 ---- _item_description.description ; @@ -18880,7 +18890,7 @@ the data for determination of the theoretical heteronuclear T2 relaxation values. ; ---- 68856,68862 ---- +--- 68857,68863 ---- _item_description.description ; @@ -18897,7 +18907,7 @@ to collect the experimental data. ; ---- 68872,68878 ---- +--- 68873,68879 ---- _item_description.description ; @@ -18907,7 +18917,7 @@ *************** *** 66863,66868 **** ---- 68889,68896 ---- +--- 68890,68897 ---- methanol ? 'monoethylene glycol' ? 'no calibration applied' ? @@ -18925,7 +18935,7 @@ caused by the long spin-lock pulse. ; ---- 68901,68907 ---- +--- 68902,68908 ---- _item_description.description ; @@ -18935,7 +18945,7 @@ *************** *** 66890,66895 **** ---- 68918,68925 ---- +--- 68919,68926 ---- 'single scan interleaving' ? 'temperature compensation block' ? 'no temperature control applied' ? @@ -18953,7 +18963,7 @@ the data. ; ---- 68930,68936 ---- +--- 68931,68937 ---- _item_description.description ; @@ -18963,7 +18973,7 @@ *************** *** 66939,66944 **** ---- 68969,68976 ---- +--- 68970,68977 ---- I(+,-) 'single quantum' S(+,-) 'single quantum' @@ -18982,7 +18992,7 @@ tag. ; ---- 69057,69064 ---- +--- 69058,69065 ---- _item_description.description ; @@ -19000,7 +19010,7 @@ (i.e., H, C, P, etc). ; ---- 69493,69499 ---- +--- 69494,69500 ---- _item_description.description ; @@ -19017,7 +19027,7 @@ or any of its related tags. ; ---- 69509,69515 ---- +--- 69510,69516 ---- _item_description.description ; @@ -19036,7 +19046,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 69600,69608 ---- +--- 69601,69609 ---- _item_description.description ; @@ -19057,7 +19067,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 69618,69626 ---- +--- 69619,69627 ---- _item_description.description ; @@ -19076,7 +19086,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 69644,69650 ---- +--- 69645,69651 ---- _item_description.description ; @@ -19093,7 +19103,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 69668,69674 ---- +--- 69669,69675 ---- _item_description.description ; @@ -19110,7 +19120,7 @@ contained in the saveframe. ; ---- 69762,69768 ---- +--- 69763,69769 ---- _item_description.description ; @@ -19127,7 +19137,7 @@ data from other saveframes of this category in an entry. ; ---- 69794,69800 ---- +--- 69795,69801 ---- _item_description.description ; @@ -19144,7 +19154,7 @@ the data for determination of the general relaxation values. ; ---- 69859,69865 ---- +--- 69860,69866 ---- _item_description.description ; @@ -19161,7 +19171,7 @@ to collect the experimental data. ; ---- 69875,69881 ---- +--- 69876,69882 ---- _item_description.description ; @@ -19178,7 +19188,7 @@ caused by the long spin-lock pulse. ; ---- 69902,69908 ---- +--- 69903,69909 ---- _item_description.description ; @@ -19195,7 +19205,7 @@ the data. ; ---- 69930,69936 ---- +--- 69931,69937 ---- _item_description.description ; @@ -19212,7 +19222,7 @@ a high level of precision. ; ---- 69954,69960 ---- +--- 69955,69961 ---- _item_description.description ; @@ -19229,7 +19239,7 @@ the text block that is the value to the '_Auto_relaxation_list.Text_data' tag. ; ---- 70168,70174 ---- +--- 70169,70175 ---- _item_description.description ; @@ -19246,7 +19256,7 @@ (i.e., H, C, P, etc). ; ---- 70618,70624 ---- +--- 70619,70625 ---- _item_description.description ; @@ -19263,7 +19273,7 @@ or any of its related tags. ; ---- 70634,70640 ---- +--- 70635,70641 ---- _item_description.description ; @@ -19282,7 +19292,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 70725,70733 ---- +--- 70726,70734 ---- _item_description.description ; @@ -19303,7 +19313,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 70743,70751 ---- +--- 70744,70752 ---- _item_description.description ; @@ -19322,7 +19332,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 70769,70775 ---- +--- 70770,70776 ---- _item_description.description ; @@ -19339,7 +19349,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 70793,70799 ---- +--- 70794,70800 ---- _item_description.description ; @@ -19356,7 +19366,7 @@ contained in the saveframe. ; ---- 70887,70893 ---- +--- 70888,70894 ---- _item_description.description ; @@ -19373,7 +19383,7 @@ data from other saveframes of this category in an entry. ; ---- 70919,70925 ---- +--- 70920,70926 ---- _item_description.description ; @@ -19390,7 +19400,7 @@ the data for determination of the general relaxation values. ; ---- 70984,70990 ---- +--- 70985,70991 ---- _item_description.description ; @@ -19407,7 +19417,7 @@ to collect the experimental data. ; ---- 71000,71006 ---- +--- 71001,71007 ---- _item_description.description ; @@ -19417,7 +19427,7 @@ *************** *** 68985,68990 **** ---- 71017,71024 ---- +--- 71018,71025 ---- methanol MeOH 'monoethylene glycol' MEG 'no calibration applied' ? @@ -19435,7 +19445,7 @@ caused by the long spin-lock pulse. ; ---- 71029,71035 ---- +--- 71030,71036 ---- _item_description.description ; @@ -19445,7 +19455,7 @@ *************** *** 69013,69018 **** ---- 71047,71054 ---- +--- 71048,71055 ---- 'temperature compensation block' ? 'single scan interleaving and temperature compensation block' ? 'no temperature control applied' ? @@ -19463,7 +19473,7 @@ the data. ; ---- 71059,71065 ---- +--- 71060,71066 ---- _item_description.description ; @@ -19480,7 +19490,7 @@ a high level of precision. ; ---- 71083,71089 ---- +--- 71084,71090 ---- _item_description.description ; @@ -19498,7 +19508,7 @@ tag. ; ---- 71297,71304 ---- +--- 71298,71305 ---- _item_description.description ; @@ -19516,7 +19526,7 @@ (i.e., H, C, P, etc). ; ---- 71748,71754 ---- +--- 71749,71755 ---- _item_description.description ; @@ -19533,7 +19543,7 @@ or any of its related tags. ; ---- 71764,71770 ---- +--- 71765,71771 ---- _item_description.description ; @@ -19552,7 +19562,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 71855,71863 ---- +--- 71856,71864 ---- _item_description.description ; @@ -19573,7 +19583,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 71873,71881 ---- +--- 71874,71882 ---- _item_description.description ; @@ -19592,7 +19602,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 71899,71905 ---- +--- 71900,71906 ---- _item_description.description ; @@ -19609,7 +19619,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 71923,71929 ---- +--- 71924,71930 ---- _item_description.description ; @@ -19626,7 +19636,7 @@ contained in the saveframe. ; ---- 72017,72023 ---- +--- 72018,72024 ---- _item_description.description ; @@ -19643,7 +19653,7 @@ the data for determination of the dipole-dipole relaxation values. ; ---- 72113,72119 ---- +--- 72114,72120 ---- _item_description.description ; @@ -19660,7 +19670,7 @@ the data. ; ---- 72129,72135 ---- +--- 72130,72136 ---- _item_description.description ; @@ -19678,7 +19688,7 @@ tag. ; ---- 72194,72201 ---- +--- 72195,72202 ---- _item_description.description ; @@ -19696,7 +19706,7 @@ or any of its related tags. ; ---- 72645,72651 ---- +--- 72646,72652 ---- _item_description.description ; @@ -19713,7 +19723,7 @@ or any of its related tags. ; ---- 72781,72787 ---- +--- 72782,72788 ---- _item_description.description ; @@ -19732,7 +19742,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 72857,72865 ---- +--- 72858,72866 ---- _item_description.description ; @@ -19753,7 +19763,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 72875,72883 ---- +--- 72876,72884 ---- _item_description.description ; @@ -19772,7 +19782,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 72901,72907 ---- +--- 72902,72908 ---- _item_description.description ; @@ -19789,7 +19799,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 72925,72931 ---- +--- 72926,72932 ---- _item_description.description ; @@ -19808,7 +19818,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 72949,72957 ---- +--- 72950,72958 ---- _item_description.description ; @@ -19829,7 +19839,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 72967,72975 ---- +--- 72968,72976 ---- _item_description.description ; @@ -19848,7 +19858,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 72993,72999 ---- +--- 72994,73000 ---- _item_description.description ; @@ -19865,7 +19875,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 73017,73023 ---- +--- 73018,73024 ---- _item_description.description ; @@ -19882,7 +19892,7 @@ contained in the saveframe. ; ---- 73111,73117 ---- +--- 73112,73118 ---- _item_description.description ; @@ -19899,7 +19909,7 @@ the data for determination of the cross-correlation values. ; ---- 73207,73213 ---- +--- 73208,73214 ---- _item_description.description ; @@ -19916,7 +19926,7 @@ the data. ; ---- 73223,73229 ---- +--- 73224,73230 ---- _item_description.description ; @@ -19934,7 +19944,7 @@ tag. ; ---- 73296,73303 ---- +--- 73297,73304 ---- _item_description.description ; @@ -19952,7 +19962,7 @@ text. ; ---- 73313,73319 ---- +--- 73314,73320 ---- _item_description.description ; @@ -19969,7 +19979,7 @@ or any of its related tags. ; ---- 73748,73754 ---- +--- 73749,73755 ---- _item_description.description ; @@ -19986,7 +19996,7 @@ or any of its related tags. ; ---- 73884,73890 ---- +--- 73885,73891 ---- _item_description.description ; @@ -20003,7 +20013,7 @@ or any of its related tags. ; ---- 74020,74026 ---- +--- 74021,74027 ---- _item_description.description ; @@ -20020,7 +20030,7 @@ or any of its related tags. ; ---- 74156,74162 ---- +--- 74157,74163 ---- _item_description.description ; @@ -20037,7 +20047,7 @@ value. ; ---- 74187,74193 ---- +--- 74188,74194 ---- _item_description.description ; @@ -20056,7 +20066,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 74263,74271 ---- +--- 74264,74272 ---- _item_description.description ; @@ -20077,7 +20087,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 74281,74289 ---- +--- 74282,74290 ---- _item_description.description ; @@ -20096,7 +20106,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 74307,74313 ---- +--- 74308,74314 ---- _item_description.description ; @@ -20113,7 +20123,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 74331,74337 ---- +--- 74332,74338 ---- _item_description.description ; @@ -20132,7 +20142,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 74355,74363 ---- +--- 74356,74364 ---- _item_description.description ; @@ -20153,7 +20163,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 74373,74381 ---- +--- 74374,74382 ---- _item_description.description ; @@ -20172,7 +20182,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 74399,74405 ---- +--- 74400,74406 ---- _item_description.description ; @@ -20189,7 +20199,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 74423,74429 ---- +--- 74424,74430 ---- _item_description.description ; @@ -20208,7 +20218,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 74447,74455 ---- +--- 74448,74456 ---- _item_description.description ; @@ -20229,7 +20239,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 74465,74473 ---- +--- 74466,74474 ---- _item_description.description ; @@ -20248,7 +20258,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 74491,74497 ---- +--- 74492,74498 ---- _item_description.description ; @@ -20265,7 +20275,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 74515,74521 ---- +--- 74516,74522 ---- _item_description.description ; @@ -20284,7 +20294,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 74539,74547 ---- +--- 74540,74548 ---- _item_description.description ; @@ -20305,7 +20315,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 74557,74565 ---- +--- 74558,74566 ---- _item_description.description ; @@ -20324,7 +20334,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 74583,74589 ---- +--- 74584,74590 ---- _item_description.description ; @@ -20341,7 +20351,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 74607,74613 ---- +--- 74608,74614 ---- _item_description.description ; @@ -20358,7 +20368,7 @@ contained in the saveframe. ; ---- 74701,74707 ---- +--- 74702,74708 ---- _item_description.description ; @@ -20375,7 +20385,7 @@ '_theoretical_cross_correlation_dd_software.theoretical_cross_correlation_dd_list_id' 'theoretical_cross_correlation_dd_software' yes '_theoretical_cross_correlation_dd.theoretical_cross_correlation_dd_list_id' 'theoretical_cross_correlation_dd' yes ---- 74742,74748 ---- +--- 74743,74749 ---- _item.mandatory_code '_theoretical_cross_correlation_dd_list.id' 'theoretical_cross_correlation_dd_list' yes @@ -20392,7 +20402,7 @@ '_theoretical_cross_correlation_dd_software.theoretical_cross_correlation_dd_list_id' '_theoretical_cross_correlation_dd_list.id' '_theoretical_cross_correlation_dd.theoretical_cross_correlation_dd_list_id' '_theoretical_cross_correlation_dd_list.id' ---- 74752,74758 ---- +--- 74753,74759 ---- _item_linked.child_name _item_linked.parent_name @@ -20409,7 +20419,7 @@ the data for determination of the cross-correlation values. ; ---- 74797,74803 ---- +--- 74798,74804 ---- _item_description.description ; @@ -20426,7 +20436,7 @@ the data. ; ---- 74813,74819 ---- +--- 74814,74820 ---- _item_description.description ; @@ -20444,7 +20454,7 @@ tag. ; ---- 74886,74893 ---- +--- 74887,74894 ---- _item_description.description ; @@ -20462,7 +20472,7 @@ text. ; ---- 74903,74909 ---- +--- 74904,74910 ---- _item_description.description ; @@ -20479,7 +20489,7 @@ or any of its related tags. ; ---- 75338,75344 ---- +--- 75339,75345 ---- _item_description.description ; @@ -20496,7 +20506,7 @@ or any of its related tags. ; ---- 75474,75480 ---- +--- 75475,75481 ---- _item_description.description ; @@ -20513,7 +20523,7 @@ or any of its related tags. ; ---- 75610,75616 ---- +--- 75611,75617 ---- _item_description.description ; @@ -20530,7 +20540,7 @@ or any of its related tags. ; ---- 75746,75752 ---- +--- 75747,75753 ---- _item_description.description ; @@ -20547,7 +20557,7 @@ value. ; ---- 75777,75783 ---- +--- 75778,75784 ---- _item_description.description ; @@ -20566,7 +20576,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 75853,75861 ---- +--- 75854,75862 ---- _item_description.description ; @@ -20587,7 +20597,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 75871,75879 ---- +--- 75872,75880 ---- _item_description.description ; @@ -20606,7 +20616,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 75897,75903 ---- +--- 75898,75904 ---- _item_description.description ; @@ -20623,7 +20633,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 75921,75927 ---- +--- 75922,75928 ---- _item_description.description ; @@ -20642,7 +20652,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 75945,75953 ---- +--- 75946,75954 ---- _item_description.description ; @@ -20663,7 +20673,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 75963,75971 ---- +--- 75964,75972 ---- _item_description.description ; @@ -20682,7 +20692,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 75989,75995 ---- +--- 75990,75996 ---- _item_description.description ; @@ -20699,7 +20709,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 76013,76019 ---- +--- 76014,76020 ---- _item_description.description ; @@ -20718,7 +20728,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 76037,76045 ---- +--- 76038,76046 ---- _item_description.description ; @@ -20739,7 +20749,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 76055,76063 ---- +--- 76056,76064 ---- _item_description.description ; @@ -20758,7 +20768,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 76081,76087 ---- +--- 76082,76088 ---- _item_description.description ; @@ -20775,7 +20785,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 76105,76111 ---- +--- 76106,76112 ---- _item_description.description ; @@ -20794,7 +20804,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 76129,76137 ---- +--- 76130,76138 ---- _item_description.description ; @@ -20815,7 +20825,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 76147,76155 ---- +--- 76148,76156 ---- _item_description.description ; @@ -20834,7 +20844,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 76173,76179 ---- +--- 76174,76180 ---- _item_description.description ; @@ -20851,7 +20861,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 76197,76203 ---- +--- 76198,76204 ---- _item_description.description ; @@ -20868,7 +20878,7 @@ contained in the saveframe. ; ---- 76291,76297 ---- +--- 76292,76298 ---- _item_description.description ; @@ -20885,7 +20895,7 @@ the data for determination of the cross-correlation values. ; ---- 76387,76393 ---- +--- 76388,76394 ---- _item_description.description ; @@ -20902,7 +20912,7 @@ the data. ; ---- 76403,76409 ---- +--- 76404,76410 ---- _item_description.description ; @@ -20920,7 +20930,7 @@ tag. ; ---- 76476,76483 ---- +--- 76477,76484 ---- _item_description.description ; @@ -20938,7 +20948,7 @@ or any of its related tags. ; ---- 76927,76933 ---- +--- 76928,76934 ---- _item_description.description ; @@ -20955,7 +20965,7 @@ or any of its related tags. ; ---- 77063,77069 ---- +--- 77064,77070 ---- _item_description.description ; @@ -20972,7 +20982,7 @@ or any of its related tags. ; ---- 77199,77205 ---- +--- 77200,77206 ---- _item_description.description ; @@ -20989,7 +20999,7 @@ or any of its related tags. ; ---- 77335,77341 ---- +--- 77336,77342 ---- _item_description.description ; @@ -21006,7 +21016,7 @@ value. ; ---- 77366,77372 ---- +--- 77367,77373 ---- _item_description.description ; @@ -21025,7 +21035,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 77442,77450 ---- +--- 77443,77451 ---- _item_description.description ; @@ -21046,7 +21056,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 77460,77468 ---- +--- 77461,77469 ---- _item_description.description ; @@ -21065,7 +21075,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 77486,77492 ---- +--- 77487,77493 ---- _item_description.description ; @@ -21082,7 +21092,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 77510,77516 ---- +--- 77511,77517 ---- _item_description.description ; @@ -21101,7 +21111,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 77534,77542 ---- +--- 77535,77543 ---- _item_description.description ; @@ -21122,7 +21132,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 77552,77560 ---- +--- 77553,77561 ---- _item_description.description ; @@ -21141,7 +21151,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 77578,77584 ---- +--- 77579,77585 ---- _item_description.description ; @@ -21158,7 +21168,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 77602,77608 ---- +--- 77603,77609 ---- _item_description.description ; @@ -21177,7 +21187,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 77626,77634 ---- +--- 77627,77635 ---- _item_description.description ; @@ -21198,7 +21208,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 77644,77652 ---- +--- 77645,77653 ---- _item_description.description ; @@ -21217,7 +21227,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 77670,77676 ---- +--- 77671,77677 ---- _item_description.description ; @@ -21234,7 +21244,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 77694,77700 ---- +--- 77695,77701 ---- _item_description.description ; @@ -21253,7 +21263,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 77718,77726 ---- +--- 77719,77727 ---- _item_description.description ; @@ -21274,7 +21284,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 77736,77744 ---- +--- 77737,77745 ---- _item_description.description ; @@ -21293,7 +21303,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 77762,77768 ---- +--- 77763,77769 ---- _item_description.description ; @@ -21310,7 +21320,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 77786,77792 ---- +--- 77787,77793 ---- _item_description.description ; @@ -21327,7 +21337,7 @@ contained in the saveframe. ; ---- 77880,77886 ---- +--- 77881,77887 ---- _item_description.description ; @@ -21344,7 +21354,7 @@ the data for determination of the order parameters. ; ---- 77976,77982 ---- +--- 77977,77983 ---- _item_description.description ; @@ -21361,7 +21371,7 @@ the molecule. ; ---- 78028,78034 ---- +--- 78029,78035 ---- _item_description.description ; @@ -21378,7 +21388,7 @@ the molecule. ; ---- 78065,78071 ---- +--- 78066,78072 ---- _item_description.description ; @@ -21395,7 +21405,7 @@ in the text block that is the value to the '_Order_parameter_list.Text_data' tag. ; ---- 78174,78180 ---- +--- 78175,78181 ---- _item_description.description ; @@ -21412,7 +21422,7 @@ (i.e., H, C, P, etc). ; ---- 78609,78615 ---- +--- 78610,78616 ---- _item_description.description ; @@ -21429,7 +21439,7 @@ or any of its related tags. ; ---- 78625,78631 ---- +--- 78626,78632 ---- _item_description.description ; @@ -21446,7 +21456,7 @@ motion in the molecule. ; ---- 78731,78737 ---- +--- 78732,78738 ---- _item_description.description ; @@ -21463,7 +21473,7 @@ the the 'slow' motion in the molecule. ; ---- 78747,78753 ---- +--- 78748,78754 ---- _item_description.description ; @@ -21480,7 +21490,7 @@ software package. ; ---- 78793,78799 ---- +--- 78794,78800 ---- _item_description.description ; @@ -21516,7 +21526,7 @@ save_ ---- 78818,78842 ---- +--- 78819,78843 ---- # _pdbx_item_enumeration_details.closed_flag no _item_type.code 'line' @@ -21551,7 +21561,7 @@ in the molecule. ; ---- 78860,78866 ---- +--- 78861,78867 ---- _item_description.description ; @@ -21568,7 +21578,7 @@ in the molecule. ; ---- 78891,78897 ---- +--- 78892,78898 ---- _item_description.description ; @@ -21587,7 +21597,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 78982,78990 ---- +--- 78983,78991 ---- _item_description.description ; @@ -21608,7 +21618,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 79000,79008 ---- +--- 79001,79009 ---- _item_description.description ; @@ -21627,7 +21637,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 79026,79032 ---- +--- 79027,79033 ---- _item_description.description ; @@ -21644,7 +21654,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 79050,79056 ---- +--- 79051,79057 ---- _item_description.description ; @@ -21661,7 +21671,7 @@ contained in the saveframe. ; ---- 79144,79150 ---- +--- 79145,79151 ---- _item_description.description ; @@ -21678,7 +21688,7 @@ the pH titration data. ; ---- 79242,79248 ---- +--- 79243,79249 ---- _item_description.description ; @@ -21695,7 +21705,7 @@ the effect of pH on the macromolecule. ; ---- 79258,79264 ---- +--- 79259,79265 ---- _item_description.description ; @@ -21705,7 +21715,7 @@ *************** *** 77241,77246 **** ---- 79276,79283 ---- +--- 79277,79284 ---- 'coupling constant' ? 'peak height' ? 'peak volume' ? @@ -21723,7 +21733,7 @@ text in the text block that is the value to the '_PH_titration_list.Text_data' tag. ; ---- 79311,79317 ---- +--- 79312,79318 ---- _item_description.description ; @@ -21740,7 +21750,7 @@ or any of its related tags. ; ---- 79776,79782 ---- +--- 79777,79783 ---- _item_description.description ; @@ -21759,7 +21769,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 79792,79800 ---- +--- 79793,79801 ---- _item_description.description ; @@ -21780,7 +21790,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 79810,79818 ---- +--- 79811,79819 ---- _item_description.description ; @@ -21799,7 +21809,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 79836,79842 ---- +--- 79837,79843 ---- _item_description.description ; @@ -21816,7 +21826,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 79860,79866 ---- +--- 79861,79867 ---- _item_description.description ; @@ -21833,7 +21843,7 @@ or any of its related tags. ; ---- 80004,80010 ---- +--- 80005,80011 ---- _item_description.description ; @@ -21852,7 +21862,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 80020,80028 ---- +--- 80021,80029 ---- _item_description.description ; @@ -21873,7 +21883,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 80038,80046 ---- +--- 80039,80047 ---- _item_description.description ; @@ -21892,7 +21902,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 80064,80070 ---- +--- 80065,80071 ---- _item_description.description ; @@ -21909,7 +21919,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 80088,80094 ---- +--- 80089,80095 ---- _item_description.description ; @@ -21926,7 +21936,7 @@ pH value. ; ---- 80142,80148 ---- +--- 80143,80149 ---- _item_description.description ; @@ -21943,7 +21953,7 @@ pH value. ; ---- 80173,80179 ---- +--- 80174,80180 ---- _item_description.description ; @@ -21960,7 +21970,7 @@ contained in the saveframe. ; ---- 80334,80340 ---- +--- 80335,80341 ---- _item_description.description ; @@ -21977,7 +21987,7 @@ reported pKa values are provided. ; ---- 80426,80432 ---- +--- 80427,80433 ---- _item_description.description ; @@ -21994,7 +22004,7 @@ the effect of pH on the macromolecule. ; ---- 80442,80448 ---- +--- 80443,80449 ---- _item_description.description ; @@ -22004,7 +22014,7 @@ *************** *** 78423,78428 **** ---- 80460,80467 ---- +--- 80461,80468 ---- 'coupling constant' ? 'peak height' ? 'peak volume' ? @@ -22022,7 +22032,7 @@ the text block that is the value to the '_PH_param_list.Text_data' tag. ; ---- 80495,80501 ---- +--- 80496,80502 ---- _item_description.description ; @@ -22039,7 +22049,7 @@ contained in the saveframe. ; ---- 80712,80718 ---- +--- 80713,80719 ---- _item_description.description ; @@ -22056,7 +22066,7 @@ factors. ; ---- 80744,80750 ---- +--- 80745,80751 ---- _item_description.description ; @@ -22073,7 +22083,7 @@ the data for determination of the D/H fractionation factors. ; ---- 80809,80815 ---- +--- 80810,80816 ---- _item_description.description ; @@ -22091,7 +22101,7 @@ tag. ; ---- 80840,80847 ---- +--- 80841,80848 ---- _item_description.description ; @@ -22109,7 +22119,7 @@ (i.e., H, C, P, etc). ; ---- 81276,81282 ---- +--- 81277,81283 ---- _item_description.description ; @@ -22128,7 +22138,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 81337,81345 ---- +--- 81338,81346 ---- _item_description.description ; @@ -22149,7 +22159,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 81355,81363 ---- +--- 81356,81364 ---- _item_description.description ; @@ -22168,7 +22178,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 81381,81387 ---- +--- 81382,81388 ---- _item_description.description ; @@ -22185,7 +22195,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 81405,81411 ---- +--- 81406,81412 ---- _item_description.description ; @@ -22202,7 +22212,7 @@ contained in the saveframe. ; ---- 81499,81505 ---- +--- 81500,81506 ---- _item_description.description ; @@ -22219,7 +22229,7 @@ the binding data. ; ---- 81599,81605 ---- +--- 81600,81606 ---- _item_description.description ; @@ -22236,7 +22246,7 @@ text block that is the value to the '_Binding_value_list.Text_data' tag. ; ---- 81630,81636 ---- +--- 81631,81637 ---- _item_description.description ; @@ -22255,7 +22265,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 82171,82179 ---- +--- 82172,82180 ---- _item_description.description ; @@ -22274,7 +22284,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 82197,82203 ---- +--- 82198,82204 ---- _item_description.description ; @@ -22291,7 +22301,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 82221,82227 ---- +--- 82222,82228 ---- _item_description.description ; @@ -22308,7 +22318,7 @@ contained in the saveframe. ; ---- 82537,82543 ---- +--- 82538,82544 ---- _item_description.description ; @@ -22325,7 +22335,7 @@ that were calculated from the measured data values provided in this save frame. ; ---- 82629,82635 ---- +--- 82630,82636 ---- _item_description.description ; @@ -22342,7 +22352,7 @@ binding constants. ; ---- 82660,82666 ---- +--- 82661,82667 ---- _item_description.description ; @@ -22359,7 +22369,7 @@ in the text block that is the value to the '_Binding_param_list.Text_data' tag. ; ---- 82691,82697 ---- +--- 82692,82698 ---- _item_description.description ; @@ -22376,7 +22386,7 @@ contained in the saveframe. ; ---- 82938,82944 ---- +--- 82939,82945 ---- _item_description.description ; @@ -22393,7 +22403,7 @@ elements and their derivation. ; ---- 83021,83027 ---- +--- 83022,83028 ---- _item_description.description ; @@ -22410,7 +22420,7 @@ residues in the secondary structures. ; ---- 83067,83073 ---- +--- 83068,83074 ---- _item_description.description ; @@ -22428,7 +22438,7 @@ tag. ; ---- 83083,83090 ---- +--- 83084,83091 ---- _item_description.description ; @@ -22448,7 +22458,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 83504,83512 ---- +--- 83505,83513 ---- _item_description.description ; @@ -22469,7 +22479,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 83522,83530 ---- +--- 83523,83531 ---- _item_description.description ; @@ -22488,7 +22498,7 @@ static field (Bo) for a solid state sample. ; ---- 83578,83584 ---- +--- 83579,83585 ---- _item_description.description ; @@ -22505,7 +22515,7 @@ structure feature. ; ---- 83833,83839 ---- +--- 83834,83840 ---- _item_description.description ; @@ -22522,7 +22532,7 @@ feature has been determined. ; ---- 83864,83870 ---- +--- 83865,83871 ---- _item_description.description ; @@ -22541,7 +22551,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 83895,83903 ---- +--- 83896,83904 ---- _item_description.description ; @@ -22562,7 +22572,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 83913,83921 ---- +--- 83914,83922 ---- _item_description.description ; @@ -22581,7 +22591,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 83939,83945 ---- +--- 83940,83946 ---- _item_description.description ; @@ -22598,7 +22608,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 83963,83969 ---- +--- 83964,83970 ---- _item_description.description ; @@ -22615,7 +22625,7 @@ contained in the saveframe. ; ---- 84057,84063 ---- +--- 84058,84064 ---- _item_description.description ; @@ -22632,7 +22642,7 @@ experimental data. ; ---- 84089,84095 ---- +--- 84090,84096 ---- _item_description.description ; @@ -22649,7 +22659,7 @@ text in the text block that is the value to the '_Deduced_H_bond_list.Text_data' tag. ; ---- 84184,84190 ---- +--- 84185,84191 ---- _item_description.description ; @@ -22666,7 +22676,7 @@ is donating the proton in the hydrogen bond. ; ---- 84514,84520 ---- +--- 84515,84521 ---- _item_description.description ; @@ -22685,7 +22695,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 84770,84778 ---- +--- 84771,84779 ---- _item_description.description ; @@ -22706,7 +22716,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 84788,84796 ---- +--- 84789,84797 ---- _item_description.description ; @@ -22725,7 +22735,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 84814,84820 ---- +--- 84815,84821 ---- _item_description.description ; @@ -22742,7 +22752,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 84838,84844 ---- +--- 84839,84845 ---- _item_description.description ; @@ -22761,7 +22771,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 84862,84870 ---- +--- 84863,84871 ---- _item_description.description ; @@ -22782,7 +22792,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 84880,84888 ---- +--- 84881,84889 ---- _item_description.description ; @@ -22801,7 +22811,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 84906,84912 ---- +--- 84907,84913 ---- _item_description.description ; @@ -22818,7 +22828,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 84930,84936 ---- +--- 84931,84937 ---- _item_description.description ; @@ -22837,7 +22847,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 85059,85067 ---- +--- 85060,85068 ---- _item_description.description ; @@ -22858,7 +22868,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 85077,85085 ---- +--- 85078,85086 ---- _item_description.description ; @@ -22877,7 +22887,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 85103,85109 ---- +--- 85104,85110 ---- _item_description.description ; @@ -22894,7 +22904,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 85127,85133 ---- +--- 85128,85134 ---- _item_description.description ; @@ -22911,7 +22921,7 @@ to exist. ; ---- 85151,85157 ---- +--- 85152,85158 ---- _item_description.description ; @@ -22928,7 +22938,7 @@ contained in the saveframe. ; ---- 85237,85243 ---- +--- 85238,85244 ---- _item_description.description ; @@ -22945,7 +22955,7 @@ from other saveframes of this category in an entry. ; ---- 85269,85275 ---- +--- 85270,85276 ---- _item_description.description ; @@ -22962,7 +22972,7 @@ text in the text block that is the value to the '_Conformer_stat_list.Text_data' tag. ; ---- 85319,85325 ---- +--- 85320,85326 ---- _item_description.description ; @@ -22979,7 +22989,7 @@ by a depositor. ; ---- 85350,85356 ---- +--- 85351,85357 ---- _item_description.description ; @@ -22996,7 +23006,7 @@ from the total number of calculated conformers. ; ---- 85480,85486 ---- +--- 85481,85487 ---- _item_description.description ; @@ -23006,7 +23016,7 @@ *************** *** 83462,83467 **** ---- 85501,85508 ---- +--- 85502,85509 ---- 'structures with acceptable covalent geometry' ? 'structures with favorable non-bond energy' ? 'target function' ? @@ -23024,7 +23034,7 @@ the conformer in the family that is representative for the family. ; ---- 85521,85527 ---- +--- 85522,85528 ---- _item_description.description ; @@ -23041,7 +23051,7 @@ of the conformer family. ; ---- 85545,85551 ---- +--- 85546,85552 ---- _item_description.description ; @@ -23051,7 +23061,7 @@ *************** *** 83522,83527 **** ---- 85563,85570 ---- +--- 85564,85571 ---- 'lowest energy' ? 'fewest violations' ? 'minimized average structure' ? @@ -23069,7 +23079,7 @@ parameters for the conformer family and representative conformer. ; ---- 85583,85589 ---- +--- 85584,85590 ---- _item_description.description ; @@ -23090,7 +23100,7 @@ without providing this information. ; ---- 85639,85649 ---- +--- 85640,85650 ---- _item_description.description ; @@ -23104,7 +23114,7 @@ *************** *** 83611,83616 **** ---- 85654,85668 ---- +--- 85655,85669 ---- _item_default.value 'no' loop_ @@ -23129,7 +23139,7 @@ as defined for proteins. ; ---- 85677,85683 ---- +--- 85678,85684 ---- _item_description.description ; @@ -23146,7 +23156,7 @@ for proteins. ; ---- 85701,85707 ---- +--- 85702,85708 ---- _item_description.description ; @@ -23163,7 +23173,7 @@ plot as defined for proteins. ; ---- 85725,85731 ---- +--- 85726,85732 ---- _item_description.description ; @@ -23180,7 +23190,7 @@ defined for proteins. ; ---- 85749,85755 ---- +--- 85750,85756 ---- _item_description.description ; @@ -23197,7 +23207,7 @@ conformers. ; ---- 85788,85794 ---- +--- 85789,85795 ---- _item_description.description ; @@ -23214,7 +23224,7 @@ conformers. ; ---- 85827,85833 ---- +--- 85828,85834 ---- _item_description.description ; @@ -23231,7 +23241,7 @@ conformers. ; ---- 85874,85880 ---- +--- 85875,85881 ---- _item_description.description ; @@ -23248,7 +23258,7 @@ of conformers. ; ---- 85921,85927 ---- +--- 85922,85928 ---- _item_description.description ; @@ -23265,7 +23275,7 @@ of conformers. ; ---- 85968,85974 ---- +--- 85969,85975 ---- _item_description.description ; @@ -23282,7 +23292,7 @@ of conformers. ; ---- 86007,86013 ---- +--- 86008,86014 ---- _item_description.description ; @@ -23299,7 +23309,7 @@ of conformers. ; ---- 86023,86029 ---- +--- 86024,86030 ---- _item_description.description ; @@ -23316,7 +23326,7 @@ for the ensemble of conformers. ; ---- 86039,86045 ---- +--- 86040,86046 ---- _item_description.description ; @@ -23333,7 +23343,7 @@ of conformers. ; ---- 86070,86076 ---- +--- 86071,86077 ---- _item_description.description ; @@ -23350,7 +23360,7 @@ atomic coordinates for the ensemble of conformers. ; ---- 86300,86306 ---- +--- 86301,86307 ---- _item_description.description ; @@ -23367,7 +23377,7 @@ for the ensemble of conformers. ; ---- 86316,86322 ---- +--- 86317,86323 ---- _item_description.description ; @@ -23384,7 +23394,7 @@ for the ensemble of conformers. ; ---- 86332,86338 ---- +--- 86333,86339 ---- _item_description.description ; @@ -23401,7 +23411,7 @@ of conformers. ; ---- 86348,86354 ---- +--- 86349,86355 ---- _item_description.description ; @@ -23418,7 +23428,7 @@ for the ensemble of conformers. ; ---- 86364,86370 ---- +--- 86365,86371 ---- _item_description.description ; @@ -23435,7 +23445,7 @@ statistics. ; ---- 86403,86409 ---- +--- 86404,86410 ---- _item_description.description ; @@ -23452,7 +23462,7 @@ for the ensemble of conformers. ; ---- 86427,86433 ---- +--- 86428,86434 ---- _item_description.description ; @@ -23469,7 +23479,7 @@ for the ensemble of conformers. ; ---- 86443,86449 ---- +--- 86444,86450 ---- _item_description.description ; @@ -23486,7 +23496,7 @@ of conformers. ; ---- 86459,86465 ---- +--- 86460,86466 ---- _item_description.description ; @@ -23503,7 +23513,7 @@ coordinates for the ensemble of conformers. ; ---- 86475,86481 ---- +--- 86476,86482 ---- _item_description.description ; @@ -23520,7 +23530,7 @@ statistics. ; ---- 86506,86512 ---- +--- 86507,86513 ---- _item_description.description ; @@ -23537,7 +23547,7 @@ the ensemble of conformers. ; ---- 86522,86528 ---- +--- 86523,86529 ---- _item_description.description ; @@ -23554,7 +23564,7 @@ the ensemble of conformers. ; ---- 86538,86544 ---- +--- 86539,86545 ---- _item_description.description ; @@ -23571,7 +23581,7 @@ for the ensemble of conformers. ; ---- 86569,86575 ---- +--- 86570,86576 ---- _item_description.description ; @@ -23588,7 +23598,7 @@ statistics over 'all' heavy atoms. ; ---- 86600,86606 ---- +--- 86601,86607 ---- _item_description.description ; @@ -23608,7 +23618,7 @@ will be able to complete and submit your deposition. ; ---- 86671,86680 ---- +--- 86672,86681 ---- _item_description.description ; @@ -23621,7 +23631,7 @@ *************** *** 84633,84638 **** ---- 86685,86699 ---- +--- 86686,86700 ---- _item_default.value 'no' loop_ @@ -23646,7 +23656,7 @@ as defined for proteins. ; ---- 86708,86714 ---- +--- 86709,86715 ---- _item_description.description ; @@ -23663,7 +23673,7 @@ for proteins. ; ---- 86732,86738 ---- +--- 86733,86739 ---- _item_description.description ; @@ -23680,7 +23690,7 @@ plot as defined for proteins. ; ---- 86756,86762 ---- +--- 86757,86763 ---- _item_description.description ; @@ -23697,7 +23707,7 @@ defined for proteins. ; ---- 86780,86786 ---- +--- 86781,86787 ---- _item_description.description ; @@ -23714,7 +23724,7 @@ conformer. ; ---- 86819,86825 ---- +--- 86820,86826 ---- _item_description.description ; @@ -23731,7 +23741,7 @@ conformer. ; ---- 86850,86856 ---- +--- 86851,86857 ---- _item_description.description ; @@ -23748,7 +23758,7 @@ conformer. ; ---- 86881,86887 ---- +--- 86882,86888 ---- _item_description.description ; @@ -23765,7 +23775,7 @@ conformer. ; ---- 86912,86918 ---- +--- 86913,86919 ---- _item_description.description ; @@ -23782,7 +23792,7 @@ conformer. ; ---- 86943,86949 ---- +--- 86944,86950 ---- _item_description.description ; @@ -23799,7 +23809,7 @@ conformer. ; ---- 86974,86980 ---- +--- 86975,86981 ---- _item_description.description ; @@ -23816,7 +23826,7 @@ conformer. ; ---- 87005,87011 ---- +--- 87006,87012 ---- _item_description.description ; @@ -23833,7 +23843,7 @@ conformer. ; ---- 87021,87027 ---- +--- 87022,87028 ---- _item_description.description ; @@ -23850,7 +23860,7 @@ for the representative conformer. ; ---- 87037,87043 ---- +--- 87038,87044 ---- _item_description.description ; @@ -23867,7 +23877,7 @@ conformer. ; ---- 87068,87074 ---- +--- 87069,87075 ---- _item_description.description ; @@ -23884,7 +23894,7 @@ structure. ; ---- 87204,87210 ---- +--- 87205,87211 ---- _item_description.description ; @@ -23901,7 +23911,7 @@ contained in the saveframe. ; ---- 87429,87435 ---- +--- 87430,87436 ---- _item_description.description ; @@ -23918,7 +23928,7 @@ atomic coordinate set from other saveframes of this category in an entry. ; ---- 87461,87467 ---- +--- 87462,87468 ---- _item_description.description ; @@ -23935,7 +23945,7 @@ Obsolete tag. ; ---- 87552,87558 ---- +--- 87553,87559 ---- _item_description.description ; @@ -23952,7 +23962,7 @@ coordinate set was extracted. ; ---- 87568,87574 ---- +--- 87569,87575 ---- _item_description.description ; @@ -23970,7 +23980,7 @@ for selection. ; ---- 87599,87606 ---- +--- 87600,87607 ---- _item_description.description ; @@ -23988,7 +23998,7 @@ in the atomic coordinates. ; ---- 87616,87622 ---- +--- 87617,87623 ---- _item_description.description ; @@ -24005,7 +24015,7 @@ for the atomic coordinates. ; ---- 87632,87638 ---- +--- 87633,87639 ---- _item_description.description ; @@ -24022,7 +24032,7 @@ ensemble and its derivation can be entered in this field. ; ---- 87648,87654 ---- +--- 87649,87655 ---- _item_description.description ; @@ -24039,7 +24049,7 @@ '_Conf_family_coord_set_constr_list.Constraint_list_category'. ; ---- 88221,88227 ---- +--- 88222,88228 ---- _item_description.description ; @@ -24056,7 +24066,7 @@ value is reported. ; ---- 88417,88423 ---- +--- 88418,88424 ---- _item_description.description ; @@ -24073,7 +24083,7 @@ reported for the defined segment of the biopolymer. ; ---- 88433,88439 ---- +--- 88434,88440 ---- _item_description.description ; @@ -24090,7 +24100,7 @@ molecular entity for the segment being described. ; ---- 88562,88568 ---- +--- 88563,88569 ---- _item_description.description ; @@ -24107,7 +24117,7 @@ molecular entity for the segment being described. ; ---- 88586,88592 ---- +--- 88587,88593 ---- _item_description.description ; @@ -24125,7 +24135,7 @@ in the Atom_site category. ; ---- 88665,88672 ---- +--- 88666,88673 ---- _item_description.description ; @@ -24143,7 +24153,7 @@ of the set of models reported in the Atom_site category. ; ---- 88690,88696 ---- +--- 88691,88697 ---- _item_description.description ; @@ -24160,7 +24170,7 @@ one model for the molecular assembly. ; ---- 88798,88804 ---- +--- 88799,88805 ---- _item_description.description ; @@ -24178,7 +24188,7 @@ each set of atomic coordinates reported in the model. ; ---- 88835,88842 ---- +--- 88836,88843 ---- _item_description.description ; @@ -24196,7 +24206,7 @@ list. ; ---- 88852,88858 ---- +--- 88853,88859 ---- _item_description.description ; @@ -24213,7 +24223,7 @@ (i.e., H, C, P, etc). ; ---- 88973,88979 ---- +--- 88974,88980 ---- _item_description.description ; @@ -24230,7 +24240,7 @@ orthogonal Cartesian axes. ; ---- 88989,88995 ---- +--- 88990,88996 ---- _item_description.description ; @@ -24247,7 +24257,7 @@ orthogonal Cartesian axes. ; ---- 89005,89011 ---- +--- 89006,89012 ---- _item_description.description ; @@ -24264,7 +24274,7 @@ orthogonal Cartesian axes. ; ---- 89021,89027 ---- +--- 89022,89028 ---- _item_description.description ; @@ -24281,7 +24291,7 @@ coordinates. ; ---- 89082,89088 ---- +--- 89083,89089 ---- _item_description.description ; @@ -24298,7 +24308,7 @@ this atom. ; ---- 89113,89119 ---- +--- 89114,89120 ---- _item_description.description ; @@ -24315,7 +24325,7 @@ conformation (1) or is in a disordered conformation (0) in the structure. ; ---- 89137,89143 ---- +--- 89138,89144 ---- _item_description.description ; @@ -24332,7 +24342,7 @@ PDB entry. ; ---- 89224,89230 ---- +--- 89225,89231 ---- _item_description.description ; @@ -24349,7 +24359,7 @@ assignment normally found in chemical diagrams. ; ---- 89271,89277 ---- +--- 89272,89278 ---- _item_description.description ; @@ -24366,7 +24376,7 @@ extracted from a pdbx file. ; ---- 89295,89301 ---- +--- 89296,89302 ---- _item_description.description ; @@ -24383,7 +24393,7 @@ This is a place holder for the atom record number extracted from a PDB formatted file. ; ---- 89319,89325 ---- +--- 89320,89326 ---- _item_description.description ; @@ -24402,7 +24412,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 89542,89550 ---- +--- 89543,89551 ---- _item_description.description ; @@ -24421,7 +24431,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 89585,89591 ---- +--- 89586,89592 ---- _item_description.description ; @@ -24438,7 +24448,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 89626,89632 ---- +--- 89627,89633 ---- _item_description.description ; @@ -24455,7 +24465,7 @@ a group of atom sites in the atom_site list. ; ---- 89766,89772 ---- +--- 89767,89773 ---- _item_description.description ; @@ -24472,7 +24482,7 @@ contained in the saveframe. ; ---- 89852,89858 ---- +--- 89853,89859 ---- _item_description.description ; @@ -24489,7 +24499,7 @@ conformer. ; ---- 89940,89946 ---- +--- 89941,89947 ---- _item_description.description ; @@ -24506,7 +24516,7 @@ the reported uncertainty in the individual atom coordinates. ; ---- 89997,90003 ---- +--- 89998,90004 ---- _item_description.description ; @@ -24523,7 +24533,7 @@ conformer. ; ---- 90013,90019 ---- +--- 90014,90020 ---- _item_description.description ; @@ -24540,7 +24550,7 @@ representative conformer. ; ---- 90029,90035 ---- +--- 90030,90036 ---- _item_description.description ; @@ -24557,7 +24567,7 @@ coordinates were extracted. ; ---- 90045,90051 ---- +--- 90046,90052 ---- _item_description.description ; @@ -24576,7 +24586,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 90403,90411 ---- +--- 90404,90412 ---- _item_description.description ; @@ -24595,7 +24605,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 90429,90435 ---- +--- 90430,90436 ---- _item_description.description ; @@ -24612,7 +24622,7 @@ coordinates. ; ---- 90509,90515 ---- +--- 90510,90516 ---- _item_description.description ; @@ -24629,7 +24639,7 @@ (i.e., H, C, P, etc). ; ---- 90660,90666 ---- +--- 90661,90667 ---- _item_description.description ; @@ -24646,7 +24656,7 @@ orthogonal Cartesian axes. ; ---- 90676,90682 ---- +--- 90677,90683 ---- _item_description.description ; @@ -24663,7 +24673,7 @@ orthogonal Cartesian axes. ; ---- 90692,90698 ---- +--- 90693,90699 ---- _item_description.description ; @@ -24680,7 +24690,7 @@ orthogonal Cartesian axes. ; ---- 90708,90714 ---- +--- 90709,90715 ---- _item_description.description ; @@ -24699,7 +24709,7 @@ need to correspond to the value for entity_assembly_ID. ; ---- 90799,90807 ---- +--- 90800,90808 ---- _item_description.description ; @@ -24720,7 +24730,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 90825,90833 ---- +--- 90826,90834 ---- _item_description.description ; @@ -24739,7 +24749,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 90851,90857 ---- +--- 90852,90858 ---- _item_description.description ; @@ -24756,7 +24766,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 90875,90881 ---- +--- 90876,90882 ---- _item_description.description ; @@ -24773,7 +24783,7 @@ atom in the representative structure. ; ---- 90985,90991 ---- +--- 90986,90992 ---- _item_description.description ; @@ -24790,7 +24800,7 @@ contained in the saveframe. ; ---- 91071,91077 ---- +--- 91072,91078 ---- _item_description.description ; @@ -24807,7 +24817,7 @@ statistics. ; ---- 91153,91159 ---- +--- 91154,91160 ---- _item_description.description ; @@ -24825,7 +24835,7 @@ tag. ; ---- 91169,91176 ---- +--- 91170,91177 ---- _item_description.description ; @@ -24847,7 +24857,7 @@ without providing this information. ; ---- 91201,91211 ---- +--- 91202,91212 ---- _item_description.description ; @@ -24861,7 +24871,7 @@ *************** *** 89155,89160 **** ---- 91216,91230 ---- +--- 91217,91231 ---- _item_default.value 'no' loop_ @@ -24886,7 +24896,7 @@ in calculating the NOE restraint statistics. ; ---- 91264,91270 ---- +--- 91265,91271 ---- _item_description.description ; @@ -24896,7 +24906,7 @@ *************** *** 89204,89209 **** ---- 91274,91288 ---- +--- 91275,91289 ---- _item_type.code 'yes_no' loop_ @@ -24921,7 +24931,7 @@ distances from NOE data. ; ---- 91297,91303 ---- +--- 91298,91304 ---- _item_description.description ; @@ -24938,7 +24948,7 @@ in calculating the ROE restraint statistics. ; ---- 91358,91364 ---- +--- 91359,91365 ---- _item_description.description ; @@ -24948,7 +24958,7 @@ *************** *** 89289,89294 **** ---- 91368,91382 ---- +--- 91369,91383 ---- _item_type.code 'yes_no' loop_ @@ -24973,7 +24983,7 @@ distances from ROE data. ; ---- 91391,91397 ---- +--- 91392,91398 ---- _item_description.description ; @@ -24991,7 +25001,7 @@ components in the molecular system (proteins, nucleic acids, and ligands). ; ---- 91473,91480 ---- +--- 91474,91481 ---- _item_description.description ; @@ -25009,7 +25019,7 @@ to the protein components of the molecular system studied. ; ---- 91498,91504 ---- +--- 91499,91505 ---- _item_description.description ; @@ -25026,7 +25036,7 @@ to the nucleic acid components of the molecular system studied. ; ---- 91522,91528 ---- +--- 91523,91529 ---- _item_description.description ; @@ -25043,7 +25053,7 @@ atoms within a single residue (amino acid, nucleic acid, or other residue). ; ---- 91546,91552 ---- +--- 91547,91553 ---- _item_description.description ; @@ -25060,7 +25070,7 @@ sequential residues in the biopolymer chain (|i-j| = 1). ; ---- 91570,91576 ---- +--- 91571,91577 ---- _item_description.description ; @@ -25079,7 +25089,7 @@ secondary structure. ; ---- 91594,91602 ---- +--- 91595,91603 ---- _item_description.description ; @@ -25099,7 +25109,7 @@ not included in the other counts. ; ---- 91620,91627 ---- +--- 91621,91628 ---- _item_description.description ; @@ -25117,7 +25127,7 @@ nuclei on different molecular components in the molecular assembly studied. ; ---- 91780,91786 ---- +--- 91781,91787 ---- _item_description.description ; @@ -25135,7 +25145,7 @@ These might be NOE values from interactions between nuclei within a ligand. ; ---- 91804,91811 ---- +--- 91805,91812 ---- _item_description.description ; @@ -25153,7 +25163,7 @@ atoms within a single residue (amino acid, nucleic acid, or other residue). ; ---- 91844,91850 ---- +--- 91845,91851 ---- _item_description.description ; @@ -25170,7 +25180,7 @@ sequential residues in the biopolymer chain (|i-j| = 1). ; ---- 91860,91866 ---- +--- 91861,91867 ---- _item_description.description ; @@ -25189,7 +25199,7 @@ secondary structure. ; ---- 91876,91884 ---- +--- 91877,91885 ---- _item_description.description ; @@ -25209,7 +25219,7 @@ not included in the other counts. ; ---- 91894,91901 ---- +--- 91895,91902 ---- _item_description.description ; @@ -25227,7 +25237,7 @@ of previous residue ; ---- 92001,92007 ---- +--- 92002,92008 ---- _item_description.description ; @@ -25244,7 +25254,7 @@ of previous residue ; ---- 92063,92069 ---- +--- 92064,92070 ---- _item_description.description ; @@ -25261,7 +25271,7 @@ previous residue ; ---- 92133,92139 ---- +--- 92134,92140 ---- _item_description.description ; @@ -25278,7 +25288,7 @@ constraints. ; ---- 92248,92254 ---- +--- 92249,92255 ---- _item_description.description ; @@ -25295,7 +25305,7 @@ been taken from an X-ray structure. ; ---- 92769,92775 ---- +--- 92770,92776 ---- _item_description.description ; @@ -25315,7 +25325,7 @@ to enter the statistical data. ; ---- 92904,92913 ---- +--- 92905,92914 ---- _item_description.description ; @@ -25328,7 +25338,7 @@ *************** *** 90830,90835 **** ---- 92918,92932 ---- +--- 92919,92933 ---- _item_default.value 'no' loop_ @@ -25353,7 +25363,7 @@ violations for the ensemble of conformers. ; ---- 93047,93053 ---- +--- 93048,93054 ---- _item_description.description ; @@ -25370,7 +25380,7 @@ violations for the ensemble of conformers. ; ---- 93063,93069 ---- +--- 93064,93070 ---- _item_description.description ; @@ -25387,7 +25397,7 @@ violations for the ensemble of conformers. ; ---- 93079,93085 ---- +--- 93080,93086 ---- _item_description.description ; @@ -25404,7 +25414,7 @@ violations for the ensemble of conformers. ; ---- 93095,93101 ---- +--- 93096,93102 ---- _item_description.description ; @@ -25421,7 +25431,7 @@ constraint violations for the ensemble of conformers. ; ---- 93111,93117 ---- +--- 93112,93118 ---- _item_description.description ; @@ -25438,7 +25448,7 @@ constraint violations for the ensemble of conformers. ; ---- 93127,93133 ---- +--- 93128,93134 ---- _item_description.description ; @@ -25455,7 +25465,7 @@ violations for the ensemble of conformers. ; ---- 93143,93149 ---- +--- 93144,93150 ---- _item_description.description ; @@ -25472,7 +25482,7 @@ violations for the ensemble of conformers. ; ---- 93159,93165 ---- +--- 93160,93166 ---- _item_description.description ; @@ -25489,7 +25499,7 @@ distance constraint violations for the ensemble of conformers. ; ---- 93175,93181 ---- +--- 93176,93182 ---- _item_description.description ; @@ -25506,7 +25516,7 @@ distance constraint violations for the ensemble of conformers. ; ---- 93191,93197 ---- +--- 93192,93198 ---- _item_description.description ; @@ -25523,7 +25533,7 @@ distance constraint violations for the ensemble of conformers. ; ---- 93207,93213 ---- +--- 93208,93214 ---- _item_description.description ; @@ -25540,7 +25550,7 @@ distance constraint violations for the ensemble of conformers. ; ---- 93223,93229 ---- +--- 93224,93230 ---- _item_description.description ; @@ -25557,7 +25567,7 @@ distance constraint violations for the ensemble of conformers. ; ---- 93239,93245 ---- +--- 93240,93246 ---- _item_description.description ; @@ -25574,7 +25584,7 @@ distance constraint violations for the ensemble of conformers. ; ---- 93255,93261 ---- +--- 93256,93262 ---- _item_description.description ; @@ -25591,7 +25601,7 @@ violations for the ensemble of conformers. ; ---- 93271,93277 ---- +--- 93272,93278 ---- _item_description.description ; @@ -25608,7 +25618,7 @@ violations for the ensemble of conformers. ; ---- 93287,93293 ---- +--- 93288,93294 ---- _item_description.description ; @@ -25632,7 +25642,7 @@ save_ ---- 93312,93325 ---- +--- 93313,93326 ---- # _pdbx_item_enumeration_details.closed_flag no _item_type.code 'line' @@ -25656,7 +25666,7 @@ of conformers. ; ---- 93328,93334 ---- +--- 93329,93335 ---- _item_description.description ; @@ -25673,7 +25683,7 @@ of conformers. ; ---- 93352,93358 ---- +--- 93353,93359 ---- _item_description.description ; @@ -25690,7 +25700,7 @@ calculated over the ensemble of conformers. ; ---- 93368,93374 ---- +--- 93369,93375 ---- _item_description.description ; @@ -25707,7 +25717,7 @@ over the ensemble of conformers. ; ---- 93384,93390 ---- +--- 93385,93391 ---- _item_description.description ; @@ -25724,7 +25734,7 @@ restraints. ; ---- 93415,93421 ---- +--- 93416,93422 ---- _item_description.description ; @@ -25741,7 +25751,7 @@ restraints. ; ---- 93446,93452 ---- +--- 93447,93453 ---- _item_description.description ; @@ -25758,7 +25768,7 @@ restraints. ; ---- 93477,93483 ---- +--- 93478,93484 ---- _item_description.description ; @@ -25775,7 +25785,7 @@ restraints. ; ---- 93508,93514 ---- +--- 93509,93515 ---- _item_description.description ; @@ -25792,7 +25802,7 @@ constraints and the coordinates for the deposited representative conformer. ; ---- 93579,93585 ---- +--- 93580,93586 ---- _item_description.description ; @@ -25802,7 +25812,7 @@ *************** *** 91492,91497 **** ---- 93589,93603 ---- +--- 93590,93604 ---- _item_type.code 'yes_no' _item_default.value 'no' @@ -25827,7 +25837,7 @@ violations for the representative conformer. ; ---- 93673,93679 ---- +--- 93674,93680 ---- _item_description.description ; @@ -25844,7 +25854,7 @@ violations for the representative conformer. ; ---- 93689,93695 ---- +--- 93690,93696 ---- _item_description.description ; @@ -25861,7 +25871,7 @@ violations for the representative conformer. ; ---- 93705,93711 ---- +--- 93706,93712 ---- _item_description.description ; @@ -25878,7 +25888,7 @@ violations for the representative conformer. ; ---- 93721,93727 ---- +--- 93722,93728 ---- _item_description.description ; @@ -25895,7 +25905,7 @@ constraint violations for the representative conformer. ; ---- 93737,93743 ---- +--- 93738,93744 ---- _item_description.description ; @@ -25912,7 +25922,7 @@ constraint violations for the representative conformer. ; ---- 93753,93759 ---- +--- 93754,93760 ---- _item_description.description ; @@ -25929,7 +25939,7 @@ violations for the representative conformer. ; ---- 93769,93775 ---- +--- 93770,93776 ---- _item_description.description ; @@ -25946,7 +25956,7 @@ violations for the representative conformer. ; ---- 93785,93791 ---- +--- 93786,93792 ---- _item_description.description ; @@ -25963,7 +25973,7 @@ distance constraint violations for the representative conformer. ; ---- 93801,93807 ---- +--- 93802,93808 ---- _item_description.description ; @@ -25980,7 +25990,7 @@ distance constraint violations for the representative conformer. ; ---- 93817,93823 ---- +--- 93818,93824 ---- _item_description.description ; @@ -25997,7 +26007,7 @@ distance constraint violations for the representative conformer. ; ---- 93833,93839 ---- +--- 93834,93840 ---- _item_description.description ; @@ -26014,7 +26024,7 @@ distance constraint violations for the representative conformer. ; ---- 93849,93855 ---- +--- 93850,93856 ---- _item_description.description ; @@ -26031,7 +26041,7 @@ distance constraint violations for the representative conformer. ; ---- 93865,93871 ---- +--- 93866,93872 ---- _item_description.description ; @@ -26048,7 +26058,7 @@ distance constraint violations for the representative conformer. ; ---- 93881,93887 ---- +--- 93882,93888 ---- _item_description.description ; @@ -26065,7 +26075,7 @@ violations for the representative conformer. ; ---- 93897,93903 ---- +--- 93898,93904 ---- _item_description.description ; @@ -26082,7 +26092,7 @@ violations for the representative conformer. ; ---- 93913,93919 ---- +--- 93914,93920 ---- _item_description.description ; @@ -26099,7 +26109,7 @@ calculated over the representative conformer. ; ---- 93929,93935 ---- +--- 93930,93936 ---- _item_description.description ; @@ -26116,7 +26126,7 @@ over the representative conformer. ; ---- 93945,93951 ---- +--- 93946,93952 ---- _item_description.description ; @@ -26133,7 +26143,7 @@ restraints. ; ---- 93976,93982 ---- +--- 93977,93983 ---- _item_description.description ; @@ -26150,7 +26160,7 @@ restraints. ; ---- 94007,94013 ---- +--- 94008,94014 ---- _item_description.description ; @@ -26167,7 +26177,7 @@ restraints. ; ---- 94038,94044 ---- +--- 94039,94045 ---- _item_description.description ; @@ -26184,7 +26194,7 @@ restraints. ; ---- 94069,94075 ---- +--- 94070,94076 ---- _item_description.description ; @@ -26201,7 +26211,7 @@ statistics. ; ---- 94142,94148 ---- +--- 94143,94149 ---- _item_description.description ; @@ -26218,7 +26228,7 @@ '_Conf_family_coord_set_constr_list.Constraint_list_category'. ; ---- 94158,94164 ---- +--- 94159,94165 ---- _item_description.description ; @@ -26235,7 +26245,7 @@ as input. ; ---- 94354,94360 ---- +--- 94355,94361 ---- _item_description.description ; @@ -26266,7 +26276,7 @@ save_ ---- 94364,94383 ---- +--- 94365,94384 ---- # _pdbx_item_enumeration_details.closed_flag no _item_type.code 'line' @@ -26289,7 +26299,7 @@ *************** *** 92363,92368 **** ---- 94468,94475 ---- +--- 94469,94476 ---- 'protein other kinds of constraints' ? 'nucleic acid base planarity' ? 'nucleic acid other kinds of constraints' ? @@ -26300,7 +26310,7 @@ *************** *** 92409,92414 **** ---- 94516,94523 ---- +--- 94517,94524 ---- peptide ? ring ? PRE ? @@ -26318,7 +26328,7 @@ ambiguous, etc.) ; ---- 94536,94542 ---- +--- 94537,94543 ---- _item_description.description ; @@ -26328,7 +26338,7 @@ *************** *** 92443,92448 **** ---- 94552,94559 ---- +--- 94553,94560 ---- ambi ? simple ? @@ -26346,7 +26356,7 @@ contained in the saveframe. ; ---- 94665,94671 ---- +--- 94666,94672 ---- _item_description.description ; @@ -26363,7 +26373,7 @@ structures. ; ---- 94696,94702 ---- +--- 94697,94703 ---- _item_description.description ; @@ -26380,7 +26390,7 @@ package were used. ; ---- 94744,94750 ---- +--- 94745,94751 ---- _item_description.description ; @@ -26390,7 +26400,7 @@ *************** *** 92643,92648 **** ---- 94754,94768 ---- +--- 94755,94769 ---- _item_type.code 'yes_no' loop_ @@ -26415,7 +26425,7 @@ in calculating a structure. ; ---- 94777,94783 ---- +--- 94778,94784 ---- _item_description.description ; @@ -26432,7 +26442,7 @@ own name for the parameter that you are entering a value. ; ---- 94950,94956 ---- +--- 94951,94957 ---- _item_description.description ; @@ -26449,7 +26459,7 @@ contained in the saveframe. ; ---- 95104,95110 ---- +--- 95105,95111 ---- _item_description.description ; @@ -26467,7 +26477,7 @@ tag. ; ---- 95180,95187 ---- +--- 95181,95188 ---- _item_description.description ; @@ -26486,7 +26496,7 @@ data. Note that the value is not required to be a number. ; ---- 95403,95410 ---- +--- 95404,95411 ---- _item_description.description ; @@ -26506,7 +26516,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 95428,95436 ---- +--- 95429,95437 ---- _item_description.description ; @@ -26525,7 +26535,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 95454,95460 ---- +--- 95455,95461 ---- _item_description.description ; @@ -26542,7 +26552,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 95478,95484 ---- +--- 95479,95485 ---- _item_description.description ; @@ -26559,7 +26569,7 @@ contained in the saveframe. ; ---- 95572,95578 ---- +--- 95573,95579 ---- _item_description.description ; @@ -26576,7 +26586,7 @@ that make up the tertiary structural element. ; ---- 95707,95713 ---- +--- 95708,95714 ---- _item_description.description ; @@ -26593,7 +26603,7 @@ of a biopolymer's tertiary structure. ; ---- 95821,95827 ---- +--- 95822,95828 ---- _item_description.description ; @@ -26610,7 +26620,7 @@ element (i.e., H, C, P, etc). ; ---- 96012,96018 ---- +--- 96013,96019 ---- _item_description.description ; @@ -26627,7 +26637,7 @@ structure element. ; ---- 96051,96057 ---- +--- 96052,96058 ---- _item_description.description ; @@ -26645,7 +26655,7 @@ data. Note that the value is not required to be a number. ; ---- 96067,96074 ---- +--- 96068,96075 ---- _item_description.description ; @@ -26665,7 +26675,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 96092,96100 ---- +--- 96093,96101 ---- _item_description.description ; @@ -26684,7 +26694,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 96118,96124 ---- +--- 96119,96125 ---- _item_description.description ; @@ -26701,7 +26711,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 96142,96148 ---- +--- 96143,96149 ---- _item_description.description ; @@ -26718,7 +26728,7 @@ contained in the saveframe. ; ---- 96244,96250 ---- +--- 96245,96251 ---- _item_description.description ; @@ -26735,7 +26745,7 @@ last queried for new information. ; ---- 96339,96345 ---- +--- 96340,96346 ---- _item_description.description ; @@ -26752,7 +26762,7 @@ extracted. ; ---- 96355,96361 ---- +--- 96356,96362 ---- _item_description.description ; @@ -26769,7 +26779,7 @@ structure annotation was extracted. ; ---- 96371,96377 ---- +--- 96372,96378 ---- _item_description.description ; @@ -26786,7 +26796,7 @@ their data to the public. ; ---- 96402,96408 ---- +--- 96403,96409 ---- _item_description.description ; @@ -26803,7 +26813,7 @@ used as the source of the information. ; ---- 96665,96671 ---- +--- 96666,96672 ---- _item_description.description ; @@ -26820,7 +26830,7 @@ that is the source. ; ---- 96681,96687 ---- +--- 96682,96688 ---- _item_description.description ; @@ -26830,7 +26840,7 @@ *************** *** 94603,94608 **** ---- 96723,96743 ---- +--- 96724,96744 ---- save_ @@ -26863,7 +26873,7 @@ structure. ; ---- 96903,96911 ---- +--- 96904,96912 ---- _item_description.description ; @@ -26882,7 +26892,7 @@ coordinates. ; ---- 96966,96972 ---- +--- 96967,96973 ---- _item_description.description ; @@ -26899,7 +26909,7 @@ contained in the saveframe. ; ---- 97052,97058 ---- +--- 97053,97059 ---- _item_description.description ; @@ -26916,7 +26926,7 @@ element data from other saveframes of this category in an entry. ; ---- 97083,97089 ---- +--- 97084,97090 ---- _item_description.description ; @@ -26933,7 +26943,7 @@ element. ; ---- 97297,97303 ---- +--- 97298,97304 ---- _item_description.description ; @@ -26950,7 +26960,7 @@ Pointer to '_Entity_poly_seq.Num' ; ---- 97419,97425 ---- +--- 97420,97426 ---- _item_description.description ; @@ -26967,7 +26977,7 @@ Pointer to '_Entity_poly_seq.Num' ; ---- 97443,97449 ---- +--- 97444,97450 ---- _item_description.description ; @@ -26986,7 +26996,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 97467,97475 ---- +--- 97468,97476 ---- _item_description.description ; @@ -27007,7 +27017,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 97493,97501 ---- +--- 97494,97502 ---- _item_description.description ; @@ -27026,7 +27036,7 @@ structure element. ; ---- 97557,97563 ---- +--- 97558,97564 ---- _item_description.description ; @@ -27043,7 +27053,7 @@ contained in the saveframe. ; ---- 97643,97649 ---- +--- 97644,97650 ---- _item_description.description ; @@ -27060,7 +27070,7 @@ or any of its related tags. ; ---- 98014,98020 ---- +--- 98015,98021 ---- _item_description.description ; @@ -27077,7 +27087,7 @@ or any of its related tags. ; ---- 98150,98156 ---- +--- 98151,98157 ---- _item_description.description ; @@ -27095,7 +27105,7 @@ data. Note that the value is not required to be a number. ; ---- 98181,98188 ---- +--- 98182,98189 ---- _item_description.description ; @@ -27115,7 +27125,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 98206,98214 ---- +--- 98207,98215 ---- _item_description.description ; @@ -27134,7 +27144,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 98232,98238 ---- +--- 98233,98239 ---- _item_description.description ; @@ -27151,7 +27161,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 98256,98262 ---- +--- 98257,98263 ---- _item_description.description ; @@ -27169,7 +27179,7 @@ data. Note that the value is not required to be a number. ; ---- 98280,98287 ---- +--- 98281,98288 ---- _item_description.description ; @@ -27189,7 +27199,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 98305,98313 ---- +--- 98306,98314 ---- _item_description.description ; @@ -27208,7 +27218,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 98331,98337 ---- +--- 98332,98338 ---- _item_description.description ; @@ -27225,7 +27235,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 98355,98361 ---- +--- 98356,98362 ---- _item_description.description ; @@ -27242,7 +27252,7 @@ contained in the saveframe. ; ---- 98560,98566 ---- +--- 98561,98567 ---- _item_description.description ; @@ -27259,7 +27269,7 @@ of structure interactions. ; ---- 98638,98644 ---- +--- 98639,98645 ---- _item_description.description ; @@ -27276,7 +27286,7 @@ interaction. ; ---- 98980,98986 ---- +--- 98981,98987 ---- _item_description.description ; @@ -27294,7 +27304,7 @@ data. Note that the value is not required to be a number. ; ---- 98996,99003 ---- +--- 98997,99004 ---- _item_description.description ; @@ -27314,7 +27324,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 99021,99029 ---- +--- 99022,99030 ---- _item_description.description ; @@ -27333,7 +27343,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 99047,99053 ---- +--- 99048,99054 ---- _item_description.description ; @@ -27350,7 +27360,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 99071,99077 ---- +--- 99072,99078 ---- _item_description.description ; @@ -27368,7 +27378,7 @@ data. Note that the value is not required to be a number. ; ---- 99095,99102 ---- +--- 99096,99103 ---- _item_description.description ; @@ -27388,7 +27398,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 99120,99128 ---- +--- 99121,99129 ---- _item_description.description ; @@ -27407,7 +27417,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 99146,99152 ---- +--- 99147,99153 ---- _item_description.description ; @@ -27424,7 +27434,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 99170,99176 ---- +--- 99171,99177 ---- _item_description.description ; @@ -27441,7 +27451,7 @@ contained in the saveframe. ; ---- 99367,99373 ---- +--- 99368,99374 ---- _item_description.description ; @@ -27458,7 +27468,7 @@ feature. ; ---- 99473,99479 ---- +--- 99474,99480 ---- _item_description.description ; @@ -27477,7 +27487,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 99590,99598 ---- +--- 99591,99599 ---- _item_description.description ; @@ -27496,7 +27506,7 @@ contained in the saveframe. ; ---- 99701,99707 ---- +--- 99702,99708 ---- _item_description.description ; @@ -27513,7 +27523,7 @@ _item_type.code 'line' loop_ ---- 99786,99791 ---- +--- 99787,99792 ---- *************** *** 97678,97684 **** _item.name '_tensor_list.tensor_shape' @@ -27523,7 +27533,7 @@ _item_type.code 'line' loop_ ---- 99812,99817 ---- +--- 99813,99818 ---- *************** *** 97706,97712 **** _item.name '_tensor_list.matrix_val_units' @@ -27533,7 +27543,7 @@ _item_type.code 'code' loop_ ---- 99839,99844 ---- +--- 99840,99845 ---- *************** *** 97814,97820 **** @@ -27543,7 +27553,7 @@ list and its derivation. ; ---- 99946,99952 ---- +--- 99947,99953 ---- _item_description.description ; @@ -27560,7 +27570,7 @@ (i.e., H, C, P, etc). ; ---- 100153,100159 ---- +--- 100154,100160 ---- _item_description.description ; @@ -27577,7 +27587,7 @@ or any of its related tags. ; ---- 100169,100175 ---- +--- 100170,100176 ---- _item_description.description ; @@ -27594,7 +27604,7 @@ component of the chemical shielding tensor. ; ---- 100305,100311 ---- +--- 100306,100312 ---- _item_description.description ; @@ -27611,7 +27621,7 @@ component of the chemical shielding tensor. ; ---- 100321,100327 ---- +--- 100322,100328 ---- _item_description.description ; @@ -27628,7 +27638,7 @@ component of the chemical shielding tensor. ; ---- 100337,100343 ---- +--- 100338,100344 ---- _item_description.description ; @@ -27645,7 +27655,7 @@ shielding tensor. ; ---- 100353,100359 ---- +--- 100354,100360 ---- _item_description.description ; @@ -27662,7 +27672,7 @@ shielding tensor. ; ---- 100369,100375 ---- +--- 100370,100376 ---- _item_description.description ; @@ -27679,7 +27689,7 @@ shielding tensor. ; ---- 100385,100391 ---- +--- 100386,100392 ---- _item_description.description ; @@ -27696,7 +27706,7 @@ chemical shielding tensor. ; ---- 100401,100407 ---- +--- 100402,100408 ---- _item_description.description ; @@ -27713,7 +27723,7 @@ chemical shielding tensor. ; ---- 100417,100423 ---- +--- 100418,100424 ---- _item_description.description ; @@ -27730,7 +27740,7 @@ chemical shielding tensor. ; ---- 100433,100439 ---- +--- 100434,100440 ---- _item_description.description ; @@ -27747,7 +27757,7 @@ chemical shielding tensor. ; ---- 100449,100455 ---- +--- 100450,100456 ---- _item_description.description ; @@ -27764,7 +27774,7 @@ chemical shielding tensor. ; ---- 100465,100471 ---- +--- 100466,100472 ---- _item_description.description ; @@ -27783,7 +27793,7 @@ need to correspond to the value for Entity_assembly_ID. ; ---- 100616,100624 ---- +--- 100617,100625 ---- _item_description.description ; @@ -27804,7 +27814,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 100634,100642 ---- +--- 100635,100643 ---- _item_description.description ; @@ -27823,7 +27833,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 100660,100666 ---- +--- 100661,100667 ---- _item_description.description ; @@ -27840,7 +27850,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 100684,100690 ---- +--- 100685,100691 ---- _item_description.description ; @@ -27857,7 +27867,7 @@ loop_ _item_examples.case ---- 100785,100791 ---- +--- 100786,100792 ---- _item.category_id 'interatomic_distance_list' _item.mandatory_code no _item_type.code 'framecode' @@ -27874,7 +27884,7 @@ (i.e., H, C, P, etc). ; ---- 101083,101089 ---- +--- 101084,101090 ---- _item_description.description ; @@ -27891,7 +27901,7 @@ (i.e., H, C, P, etc). ; ---- 101204,101210 ---- +--- 101205,101211 ---- _item_description.description ; @@ -27910,7 +27920,7 @@ to the value f ; ---- 101235,101243 ---- +--- 101236,101244 ---- _item_description.description ; @@ -27931,7 +27941,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 101268,101276 ---- +--- 101269,101277 ---- _item_description.description ; @@ -27950,7 +27960,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 101286,101292 ---- +--- 101287,101293 ---- _item_description.description ; @@ -27967,7 +27977,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 101302,101308 ---- +--- 101303,101309 ---- _item_description.description ; @@ -27986,7 +27996,7 @@ to the value f ; ---- 101318,101326 ---- +--- 101319,101327 ---- _item_description.description ; @@ -28007,7 +28017,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 101351,101359 ---- +--- 101352,101360 ---- _item_description.description ; @@ -28026,7 +28036,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 101369,101375 ---- +--- 101370,101376 ---- _item_description.description ; @@ -28043,7 +28053,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 101385,101391 ---- +--- 101386,101392 ---- _item_description.description ; @@ -28060,7 +28070,7 @@ contained in the saveframe. ; ---- 101486,101492 ---- +--- 101487,101493 ---- _item_description.description ; @@ -28077,7 +28087,7 @@ constraints. ; ---- 101678,101684 ---- +--- 101679,101685 ---- _item_description.description ; @@ -28095,7 +28105,7 @@ tag. ; ---- 101694,101701 ---- +--- 101695,101702 ---- _item_description.description ; @@ -28115,7 +28125,7 @@ contributions with different constraint.Combination_id (or none) are OR-ed. ; ---- 102207,102215 ---- +--- 102208,102216 ---- _item_description.description ; @@ -28136,7 +28146,7 @@ more members. ; ---- 102225,102233 ---- +--- 102226,102234 ---- _item_description.description ; @@ -28156,7 +28166,7 @@ a value. ; ---- 102243,102250 ---- +--- 102244,102251 ---- _item_description.description ; @@ -28174,7 +28184,7 @@ (i.e., H, C, P, etc). ; ---- 102375,102381 ---- +--- 102376,102382 ---- _item_description.description ; @@ -28191,7 +28201,7 @@ by the tag '_Atom_type' or any of its related tags. ; ---- 102391,102397 ---- +--- 102392,102398 ---- _item_description.description ; @@ -28208,7 +28218,7 @@ (i.e., H, C, P, etc). ; ---- 102527,102533 ---- +--- 102528,102534 ---- _item_description.description ; @@ -28225,7 +28235,7 @@ by the tag '_Atom_type' or any of its related tags. ; ---- 102543,102549 ---- +--- 102544,102550 ---- _item_description.description ; @@ -28242,7 +28252,7 @@ This is a place holder for the atom record number extracted from a PDB formatted file. ; ---- 102808,102814 ---- +--- 102809,102815 ---- _item_description.description ; @@ -28259,7 +28269,7 @@ This is a place holder for the atom record number extracted from a PDB formatted file. ; ---- 102962,102968 ---- +--- 102963,102969 ---- _item_description.description ; @@ -28277,7 +28287,7 @@ data. Note that the value is not required to be a number. ; ---- 103116,103123 ---- +--- 103117,103124 ---- _item_description.description ; @@ -28299,7 +28309,7 @@ applications. ; ---- 103141,103151 ---- +--- 103142,103152 ---- _item_description.description ; @@ -28322,7 +28332,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 103184,103192 ---- +--- 103185,103193 ---- _item_description.description ; @@ -28341,7 +28351,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 103210,103216 ---- +--- 103211,103217 ---- _item_description.description ; @@ -28358,7 +28368,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 103234,103240 ---- +--- 103235,103241 ---- _item_description.description ; @@ -28376,7 +28386,7 @@ data. Note that the value is not required to be a number. ; ---- 103288,103295 ---- +--- 103289,103296 ---- _item_description.description ; @@ -28398,7 +28408,7 @@ applications. ; ---- 103313,103323 ---- +--- 103314,103324 ---- _item_description.description ; @@ -28421,7 +28431,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 103356,103364 ---- +--- 103357,103365 ---- _item_description.description ; @@ -28440,7 +28450,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 103382,103388 ---- +--- 103383,103389 ---- _item_description.description ; @@ -28457,7 +28467,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 103406,103412 ---- +--- 103407,103413 ---- _item_description.description ; @@ -28474,7 +28484,7 @@ distance constraint file. ; ---- 103516,103522 ---- +--- 103517,103523 ---- _item_description.description ; @@ -28491,7 +28501,7 @@ the distance constaint file. ; ---- 103663,103669 ---- +--- 103664,103670 ---- _item_description.description ; @@ -28508,7 +28518,7 @@ error. ; ---- 103941,103947 ---- +--- 103942,103948 ---- _item_description.description ; @@ -28525,7 +28535,7 @@ contained in the saveframe. ; ---- 104057,104063 ---- +--- 104058,104064 ---- _item_description.description ; @@ -28542,7 +28552,7 @@ constraints. ; ---- 104222,104228 ---- +--- 104223,104229 ---- _item_description.description ; @@ -28560,7 +28570,7 @@ tag. ; ---- 104238,104245 ---- +--- 104239,104246 ---- _item_description.description ; @@ -28578,7 +28588,7 @@ in one save frame. ; ---- 104722,104728 ---- +--- 104723,104729 ---- _item_description.description ; @@ -28595,7 +28605,7 @@ pseudo atoms (e.g. LEU QG for all 6 protons) is preferred to keep this loop limited. ; ---- 104755,104761 ---- +--- 104756,104762 ---- _item_description.description ; @@ -28612,7 +28622,7 @@ node does not have logic information. ; ---- 104842,104848 ---- +--- 104843,104849 ---- _item_description.description ; @@ -28629,7 +28639,7 @@ (i.e., H, C, P, etc). ; ---- 105088,105094 ---- +--- 105089,105095 ---- _item_description.description ; @@ -28646,7 +28656,7 @@ or any of its related tags. ; ---- 105104,105110 ---- +--- 105105,105111 ---- _item_description.description ; @@ -28667,7 +28677,7 @@ applications. ; ---- 105135,105145 ---- +--- 105136,105146 ---- _item_description.description ; @@ -28689,7 +28699,7 @@ data. Note that the value is not required to be a number. ; ---- 105155,105162 ---- +--- 105156,105163 ---- _item_description.description ; @@ -28709,7 +28719,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 105180,105188 ---- +--- 105181,105189 ---- _item_description.description ; @@ -28728,7 +28738,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 105206,105212 ---- +--- 105207,105213 ---- _item_description.description ; @@ -28745,7 +28755,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 105230,105236 ---- +--- 105231,105237 ---- _item_description.description ; @@ -28762,7 +28772,7 @@ to the experiment used to derive the data used to define the constraint. ; ---- 105341,105347 ---- +--- 105342,105348 ---- _item_description.description ; @@ -28779,7 +28789,7 @@ distance constraint file. ; ---- 105557,105563 ---- +--- 105558,105564 ---- _item_description.description ; @@ -28796,7 +28806,7 @@ the distance constaint file. ; ---- 105704,105710 ---- +--- 105705,105711 ---- _item_description.description ; @@ -28813,7 +28823,7 @@ error. ; ---- 105982,105988 ---- +--- 105983,105989 ---- _item_description.description ; @@ -28830,7 +28840,7 @@ contained in the saveframe. ; ---- 106098,106104 ---- +--- 106099,106105 ---- _item_description.description ; @@ -28847,7 +28857,7 @@ chirality data. ; ---- 106176,106182 ---- +--- 106177,106183 ---- _item_description.description ; @@ -28865,7 +28875,7 @@ data. Note that the value is not required to be a number. ; ---- 106679,106686 ---- +--- 106680,106687 ---- _item_description.description ; @@ -28885,7 +28895,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 106704,106712 ---- +--- 106705,106713 ---- _item_description.description ; @@ -28904,7 +28914,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 106730,106736 ---- +--- 106731,106737 ---- _item_description.description ; @@ -28921,7 +28931,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 106754,106760 ---- +--- 106755,106761 ---- _item_description.description ; @@ -28939,7 +28949,7 @@ data. Note that the value is not required to be a number. ; ---- 106793,106800 ---- +--- 106794,106801 ---- _item_description.description ; @@ -28959,7 +28969,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 106818,106826 ---- +--- 106819,106827 ---- _item_description.description ; @@ -28978,7 +28988,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 106844,106850 ---- +--- 106845,106851 ---- _item_description.description ; @@ -28995,7 +29005,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 106868,106874 ---- +--- 106869,106875 ---- _item_description.description ; @@ -29012,7 +29022,7 @@ contained in the saveframe. ; ---- 106962,106968 ---- +--- 106963,106969 ---- _item_description.description ; @@ -29029,7 +29039,7 @@ angle constraints. ; ---- 107138,107144 ---- +--- 107139,107145 ---- _item_description.description ; @@ -29047,7 +29057,7 @@ tag. ; ---- 107154,107161 ---- +--- 107155,107162 ---- _item_description.description ; @@ -29067,7 +29077,7 @@ contributions with different constraint.Combination_id (or none) are OR-ed. ; ---- 107639,107647 ---- +--- 107640,107648 ---- _item_description.description ; @@ -29087,7 +29097,7 @@ residue. ; ---- 107657,107664 ---- +--- 107658,107665 ---- _item_description.description ; @@ -29105,7 +29115,7 @@ This is a place holder for the atom record number extracted from a PDB formatted file. ; ---- 108364,108370 ---- +--- 108365,108371 ---- _item_description.description ; @@ -29122,7 +29132,7 @@ This is a place holder for the atom record number extracted from a PDB formatted file. ; ---- 108518,108524 ---- +--- 108519,108525 ---- _item_description.description ; @@ -29139,7 +29149,7 @@ This is a place holder for the atom record number extracted from a PDB formatted file. ; ---- 108672,108678 ---- +--- 108673,108679 ---- _item_description.description ; @@ -29156,7 +29166,7 @@ This is a place holder for the atom record number extracted from a PDB formatted file. ; ---- 108826,108832 ---- +--- 108827,108833 ---- _item_description.description ; @@ -29174,7 +29184,7 @@ data. Note that the value is not required to be a number. ; ---- 108980,108987 ---- +--- 108981,108988 ---- _item_description.description ; @@ -29194,7 +29204,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 109043,109051 ---- +--- 109044,109052 ---- _item_description.description ; @@ -29213,7 +29223,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 109069,109075 ---- +--- 109070,109076 ---- _item_description.description ; @@ -29230,7 +29240,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 109093,109099 ---- +--- 109094,109100 ---- _item_description.description ; @@ -29248,7 +29258,7 @@ data. Note that the value is not required to be a number. ; ---- 109147,109154 ---- +--- 109148,109155 ---- _item_description.description ; @@ -29268,7 +29278,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 109210,109218 ---- +--- 109211,109219 ---- _item_description.description ; @@ -29287,7 +29297,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 109236,109242 ---- +--- 109237,109243 ---- _item_description.description ; @@ -29304,7 +29314,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 109260,109266 ---- +--- 109261,109267 ---- _item_description.description ; @@ -29322,7 +29332,7 @@ data. Note that the value is not required to be a number. ; ---- 109314,109321 ---- +--- 109315,109322 ---- _item_description.description ; @@ -29342,7 +29352,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 109377,109385 ---- +--- 109378,109386 ---- _item_description.description ; @@ -29361,7 +29371,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 109403,109409 ---- +--- 109404,109410 ---- _item_description.description ; @@ -29378,7 +29388,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 109427,109433 ---- +--- 109428,109434 ---- _item_description.description ; @@ -29396,7 +29406,7 @@ data. Note that the value is not required to be a number. ; ---- 109481,109488 ---- +--- 109482,109489 ---- _item_description.description ; @@ -29416,7 +29426,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 109544,109552 ---- +--- 109545,109553 ---- _item_description.description ; @@ -29435,7 +29445,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 109570,109576 ---- +--- 109571,109577 ---- _item_description.description ; @@ -29452,7 +29462,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 109594,109600 ---- +--- 109595,109601 ---- _item_description.description ; @@ -29469,7 +29479,7 @@ torsion angle constraint file. ; ---- 109704,109710 ---- +--- 109705,109711 ---- _item_description.description ; @@ -29486,7 +29496,7 @@ the torsion angle constaint file. ; ---- 109851,109857 ---- +--- 109852,109858 ---- _item_description.description ; @@ -29503,7 +29513,7 @@ error. ; ---- 110129,110135 ---- +--- 110130,110136 ---- _item_description.description ; @@ -29520,7 +29530,7 @@ contained in the saveframe. ; ---- 110245,110251 ---- +--- 110246,110252 ---- _item_description.description ; @@ -29537,7 +29547,7 @@ save_ save__rdc_constraint_list.constraint_type ---- 110387,110392 ---- +--- 110388,110393 ---- *************** *** 108279,108285 **** @@ -29547,7 +29557,7 @@ save_ save__rdc_constraint_list.tensor_entity_assembly_id ---- 110410,110415 ---- +--- 110411,110416 ---- *************** *** 108346,108353 **** @@ -29558,7 +29568,7 @@ data. Note that the value is not required to be a number. ; ---- 110476,110483 ---- +--- 110477,110484 ---- _item_description.description ; @@ -29578,7 +29588,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 110508,110516 ---- +--- 110509,110517 ---- _item_description.description ; @@ -29597,7 +29607,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 110526,110532 ---- +--- 110527,110533 ---- _item_description.description ; @@ -29615,7 +29625,7 @@ is the axial symmetric component of the alignment tensor (1/3(Azz-(Axx+Ayy)/2). ; ---- 110587,110594 ---- +--- 110588,110595 ---- _item_description.description ; @@ -29634,7 +29644,7 @@ is the rhombic component of the alignment tensor (1/3(Axx-Ayy)). ; ---- 110604,110611 ---- +--- 110605,110612 ---- _item_description.description ; @@ -29653,7 +29663,7 @@ is S, the local order parameter for internal motions. ; ---- 110621,110628 ---- +--- 110622,110629 ---- _item_description.description ; @@ -29671,7 +29681,7 @@ calculating the RDC constraints. ; ---- 110638,110644 ---- +--- 110639,110645 ---- _item_description.description ; @@ -29688,7 +29698,7 @@ dipolar coupling constraints. ; ---- 110730,110736 ---- +--- 110731,110737 ---- _item_description.description ; @@ -29706,7 +29716,7 @@ tag. ; ---- 110746,110753 ---- +--- 110747,110754 ---- _item_description.description ; @@ -29726,7 +29736,7 @@ with different constraint.combination_id (or none) are OR-ed. ; ---- 111122,111130 ---- +--- 111123,111131 ---- _item_description.description ; @@ -29745,7 +29755,7 @@ or any of its related tags. ; ---- 111260,111266 ---- +--- 111261,111267 ---- _item_description.description ; @@ -29762,7 +29772,7 @@ or any of its related tags. ; ---- 111411,111417 ---- +--- 111412,111418 ---- _item_description.description ; @@ -29779,7 +29789,7 @@ constraint. ; ---- 111502,111508 ---- +--- 111503,111509 ---- _item_description.description ; @@ -29789,7 +29799,7 @@ *************** *** 109486,109491 **** ---- 111616,111630 ---- +--- 111617,111631 ---- _item.mandatory_code no _item_type.code 'yes_no' @@ -29814,7 +29824,7 @@ This is a place holder for the atom record number extracted from a PDB formatted file. ; ---- 111647,111653 ---- +--- 111648,111654 ---- _item_description.description ; @@ -29831,7 +29841,7 @@ This is a place holder for the atom record number extracted from a PDB formatted file. ; ---- 111801,111807 ---- +--- 111802,111808 ---- _item_description.description ; @@ -29849,7 +29859,7 @@ data. Note that the value is not required to be a number. ; ---- 111955,111962 ---- +--- 111956,111963 ---- _item_description.description ; @@ -29869,7 +29879,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 112018,112026 ---- +--- 112019,112027 ---- _item_description.description ; @@ -29888,7 +29898,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 112044,112050 ---- +--- 112045,112051 ---- _item_description.description ; @@ -29905,7 +29915,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 112068,112074 ---- +--- 112069,112075 ---- _item_description.description ; @@ -29923,7 +29933,7 @@ data. Note that the value is not required to be a number. ; ---- 112122,112129 ---- +--- 112123,112130 ---- _item_description.description ; @@ -29943,7 +29953,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 112185,112193 ---- +--- 112186,112194 ---- _item_description.description ; @@ -29962,7 +29972,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 112211,112217 ---- +--- 112212,112218 ---- _item_description.description ; @@ -29979,7 +29989,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 112235,112241 ---- +--- 112236,112242 ---- _item_description.description ; @@ -29996,7 +30006,7 @@ distance constraint file. ; ---- 112345,112351 ---- +--- 112346,112352 ---- _item_description.description ; @@ -30013,7 +30023,7 @@ the RDC constaint file. ; ---- 112492,112498 ---- +--- 112493,112499 ---- _item_description.description ; @@ -30030,7 +30040,7 @@ error. ; ---- 112770,112776 ---- +--- 112771,112777 ---- _item_description.description ; @@ -30047,7 +30057,7 @@ contained in the saveframe. ; ---- 112886,112892 ---- +--- 112887,112893 ---- _item_description.description ; @@ -30065,7 +30075,7 @@ tag. ; ---- 113019,113026 ---- +--- 113020,113027 ---- _item_description.description ; @@ -30083,7 +30093,7 @@ three bond constraints. ; ---- 113051,113057 ---- +--- 113052,113058 ---- _item_description.description ; @@ -30101,7 +30111,7 @@ data. Note that the value is not required to be a number. ; ---- 114026,114033 ---- +--- 114027,114034 ---- _item_description.description ; @@ -30121,7 +30131,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 114051,114059 ---- +--- 114052,114060 ---- _item_description.description ; @@ -30140,7 +30150,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 114077,114083 ---- +--- 114078,114084 ---- _item_description.description ; @@ -30157,7 +30167,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 114101,114107 ---- +--- 114102,114108 ---- _item_description.description ; @@ -30175,7 +30185,7 @@ data. Note that the value is not required to be a number. ; ---- 114140,114147 ---- +--- 114141,114148 ---- _item_description.description ; @@ -30195,7 +30205,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 114165,114173 ---- +--- 114166,114174 ---- _item_description.description ; @@ -30214,7 +30224,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 114191,114197 ---- +--- 114192,114198 ---- _item_description.description ; @@ -30231,7 +30241,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 114215,114221 ---- +--- 114216,114222 ---- _item_description.description ; @@ -30249,7 +30259,7 @@ data. Note that the value is not required to be a number. ; ---- 114254,114261 ---- +--- 114255,114262 ---- _item_description.description ; @@ -30269,7 +30279,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 114279,114287 ---- +--- 114280,114288 ---- _item_description.description ; @@ -30288,7 +30298,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 114305,114311 ---- +--- 114306,114312 ---- _item_description.description ; @@ -30305,7 +30315,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 114329,114335 ---- +--- 114330,114336 ---- _item_description.description ; @@ -30323,7 +30333,7 @@ data. Note that the value is not required to be a number. ; ---- 114368,114375 ---- +--- 114369,114376 ---- _item_description.description ; @@ -30343,7 +30353,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 114393,114401 ---- +--- 114394,114402 ---- _item_description.description ; @@ -30362,7 +30372,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 114419,114425 ---- +--- 114420,114426 ---- _item_description.description ; @@ -30379,7 +30389,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 114443,114449 ---- +--- 114444,114450 ---- _item_description.description ; @@ -30396,7 +30406,7 @@ contained in the saveframe. ; ---- 114537,114543 ---- +--- 114538,114544 ---- _item_description.description ; @@ -30413,7 +30423,7 @@ and CB chemical shift constraints. ; ---- 114685,114691 ---- +--- 114686,114692 ---- _item_description.description ; @@ -30431,7 +30441,7 @@ tag. ; ---- 114701,114708 ---- +--- 114702,114709 ---- _item_description.description ; @@ -30449,7 +30459,7 @@ the list of constraints contained in one save frame. ; ---- 115047,115053 ---- +--- 115048,115054 ---- _item_description.description ; @@ -30467,7 +30477,7 @@ data. Note that the value is not required to be a number. ; ---- 115828,115835 ---- +--- 115829,115836 ---- _item_description.description ; @@ -30487,7 +30497,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 115853,115861 ---- +--- 115854,115862 ---- _item_description.description ; @@ -30506,7 +30516,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 115879,115885 ---- +--- 115880,115886 ---- _item_description.description ; @@ -30523,7 +30533,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 115903,115909 ---- +--- 115904,115910 ---- _item_description.description ; @@ -30541,7 +30551,7 @@ data. Note that the value is not required to be a number. ; ---- 115942,115949 ---- +--- 115943,115950 ---- _item_description.description ; @@ -30561,7 +30571,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 115967,115975 ---- +--- 115968,115976 ---- _item_description.description ; @@ -30580,7 +30590,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 115993,115999 ---- +--- 115994,116000 ---- _item_description.description ; @@ -30597,7 +30607,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 116017,116023 ---- +--- 116018,116024 ---- _item_description.description ; @@ -30615,7 +30625,7 @@ data. Note that the value is not required to be a number. ; ---- 116056,116063 ---- +--- 116057,116064 ---- _item_description.description ; @@ -30635,7 +30645,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 116081,116089 ---- +--- 116082,116090 ---- _item_description.description ; @@ -30654,7 +30664,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 116107,116113 ---- +--- 116108,116114 ---- _item_description.description ; @@ -30671,7 +30681,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 116131,116137 ---- +--- 116132,116138 ---- _item_description.description ; @@ -30689,7 +30699,7 @@ data. Note that the value is not required to be a number. ; ---- 116170,116177 ---- +--- 116171,116178 ---- _item_description.description ; @@ -30709,7 +30719,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 116195,116203 ---- +--- 116196,116204 ---- _item_description.description ; @@ -30728,7 +30738,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 116221,116227 ---- +--- 116222,116228 ---- _item_description.description ; @@ -30745,7 +30755,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 116245,116251 ---- +--- 116246,116252 ---- _item_description.description ; @@ -30763,7 +30773,7 @@ data. Note that the value is not required to be a number. ; ---- 116284,116291 ---- +--- 116285,116292 ---- _item_description.description ; @@ -30783,7 +30793,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 116309,116317 ---- +--- 116310,116318 ---- _item_description.description ; @@ -30802,7 +30812,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 116335,116341 ---- +--- 116336,116342 ---- _item_description.description ; @@ -30819,7 +30829,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 116359,116365 ---- +--- 116360,116366 ---- _item_description.description ; @@ -30836,7 +30846,7 @@ contained in the saveframe. ; ---- 116453,116459 ---- +--- 116454,116460 ---- _item_description.description ; @@ -30853,7 +30863,7 @@ chemical shift constraints. ; ---- 116601,116607 ---- +--- 116602,116608 ---- _item_description.description ; @@ -30871,7 +30881,7 @@ tag. ; ---- 116617,116624 ---- +--- 116618,116625 ---- _item_description.description ; @@ -30889,7 +30899,7 @@ list contained within one save frame. ; ---- 116963,116969 ---- +--- 116964,116970 ---- _item_description.description ; @@ -30906,7 +30916,7 @@ (i.e., H, C, P, etc). ; ---- 117084,117090 ---- +--- 117085,117091 ---- _item_description.description ; @@ -30923,7 +30933,7 @@ or any of its related tags. ; ---- 117100,117106 ---- +--- 117101,117107 ---- _item_description.description ; @@ -30941,7 +30951,7 @@ data. Note that the value is not required to be a number. ; ---- 117191,117198 ---- +--- 117192,117199 ---- _item_description.description ; @@ -30961,7 +30971,7 @@ to the value for Seq_ID or Comp_index_ID. ; ---- 117216,117224 ---- +--- 117217,117225 ---- _item_description.description ; @@ -30980,7 +30990,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 117242,117248 ---- +--- 117243,117249 ---- _item_description.description ; @@ -30997,7 +31007,7 @@ in order to match that used in the publication that describes the experimental data. ; ---- 117266,117272 ---- +--- 117267,117273 ---- _item_description.description ; @@ -31014,7 +31024,7 @@ contained in the saveframe. ; ---- 117360,117366 ---- +--- 117361,117367 ---- _item_description.description ; @@ -31031,7 +31041,7 @@ list is found. ; ---- 117477,117483 ---- +--- 117478,117484 ---- _item_description.description ; @@ -31055,7 +31065,7 @@ _item_type.code 'code' loop_ ---- 117493,117505 ---- +--- 117494,117506 ---- _item_description.description ; @@ -31078,7 +31088,7 @@ is found. ; ---- 117547,117553 ---- +--- 117548,117554 ---- _item_description.description ; @@ -31095,7 +31105,7 @@ _item_type.code 'code' loop_ ---- 117569,117574 ---- +--- 117570,117575 ---- *************** *** 115452,115458 **** @@ -31105,7 +31115,7 @@ constraint. ; ---- 117589,117595 ---- +--- 117590,117596 ---- _item_description.description ; @@ -31122,7 +31132,7 @@ contained in the saveframe. ; ---- 117690,117696 ---- +--- 117691,117697 ---- _item_description.description ; @@ -31139,7 +31149,7 @@ the data for determination of the SAXS data. ; ---- 117786,117792 ---- +--- 117787,117793 ---- _item_description.description ; @@ -31156,7 +31166,7 @@ block that is the value to the '_SAXS_constraint_list.Text_data' tag. ; ---- 117817,117823 ---- +--- 117818,117824 ---- _item_description.description ; @@ -31173,7 +31183,7 @@ contained in the saveframe. ; ---- 118252,118258 ---- +--- 118253,118259 ---- _item_description.description ; @@ -31190,7 +31200,7 @@ in the text block that is the value to the '_Other_constraint_list.Text_data' tag. ; ---- 118465,118471 ---- +--- 118466,118472 ---- _item_description.description ; @@ -31207,7 +31217,7 @@ contained in the saveframe. ; ---- 118824,118830 ---- +--- 118825,118831 ---- _item_description.description ; @@ -31224,7 +31234,7 @@ contained in the saveframe. ; ---- 118970,118976 ---- +--- 118971,118977 ---- _item_description.description ; @@ -31241,7 +31251,7 @@ the data for determination of the MZ ratio values. ; ---- 119073,119079 ---- +--- 119074,119080 ---- _item_description.description ; @@ -31258,7 +31268,7 @@ text block that is the value to the '_MZ_ratio_data_list.Text_data' tag. ; ---- 119194,119200 ---- +--- 119195,119201 ---- _item_description.description ; @@ -31275,7 +31285,7 @@ contained in the saveframe. ; ---- 120267,120273 ---- +--- 120268,120274 ---- _item_description.description ; @@ -31292,7 +31302,7 @@ a MS chromatogram. ; ---- 120298,120304 ---- +--- 120299,120305 ---- _item_description.description ; @@ -31309,7 +31319,7 @@ the data for determination of the MZ ratio values. ; ---- 120367,120373 ---- +--- 120368,120374 ---- _item_description.description ; @@ -31326,7 +31336,7 @@ text block that is the value to the '_MS_chromatogram_list.Text_data' tag. ; ---- 120398,120404 ---- +--- 120399,120405 ---- _item_description.description ; @@ -31343,7 +31353,7 @@ stop_ ---- 121124,121131 ---- +--- 121125,121132 ---- _category_group.id 'inclusive_group' @@ -31361,7 +31371,7 @@ contained in the saveframe. ; ---- 121150,121156 ---- +--- 121151,121157 ---- _item_description.description ; @@ -31378,7 +31388,7 @@ frames. ; ---- 121181,121187 ---- +--- 121182,121188 ---- _item_description.description ; @@ -31395,7 +31405,7 @@ stop_ ---- 121243,121250 ---- +--- 121244,121251 ---- _category_group.id 'inclusive_group' @@ -31413,7 +31423,7 @@ information. ; ---- 121269,121275 ---- +--- 121270,121276 ---- _item_description.description ; @@ -31430,7 +31440,7 @@ contained in the saveframe. ; ---- 121355,121361 ---- +--- 121356,121362 ---- _item_description.description ; @@ -31447,7 +31457,7 @@ derive data. ; ---- 121386,121392 ---- +--- 121387,121393 ---- _item_description.description ; @@ -31464,7 +31474,7 @@ contained in the saveframe. ; ---- 121752,121758 ---- +--- 121753,121759 ---- _item_description.description ; @@ -31481,7 +31491,7 @@ used to derive data. ; ---- 121783,121789 ---- +--- 121784,121790 ---- _item_description.description ; @@ -31498,10 +31508,10 @@ _item_type.code 'line' loop_ ---- 121952,121957 ---- +--- 121953,121958 ---- *************** *** 119863,119868 **** ---- 122001,122007 ---- +--- 122002,122008 ---- Molmol ? MORASS ? NDEE ? @@ -31511,7 +31521,7 @@ NMRView ? *************** *** 119981,119983 **** ---- 122120,128642 ---- +--- 122121,128643 ---- save_ diff --git a/schema/bmrb_clone.schema b/schema/bmrb_clone.schema index 5d9e06c..e0c1ffe 100644 --- a/schema/bmrb_clone.schema +++ b/schema/bmrb_clone.schema @@ -5850,7 +5850,7 @@ CREATE TABLE experiment ( -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_experiment_file_content CASCADE; -CREATE TYPE ENUM_experiment_file_content AS ENUM ( 'NMR experiment directory', 'Time-domain (raw spectral data)', 'Pulse sequence image file', 'Pulse sequence', 'Pulse field gradient', 'Peak list', 'Spectral image', 'Acquisition parameters', 'Processing parameters', 'na' ); +CREATE TYPE ENUM_experiment_file_content AS ENUM ( 'NMR experiment directory', 'Time-domain (raw spectral data)', 'Pulse sequence image file', 'Pulse sequence', 'Pulse field gradient', 'Peak list', 'Spectral image', 'Acquisition parameters', 'Processing parameters', 'RNA fragment binding data', 'na' ); CREATE TABLE experiment_file ( content ENUM_experiment_file_content , details TEXT , diff --git a/schema/mmcifNmrStar.jar b/schema/mmcifNmrStar.jar index a020151..76f982d 100644 Binary files a/schema/mmcifNmrStar.jar and b/schema/mmcifNmrStar.jar differ diff --git a/schema/mmcif_nmr-star-v3.2.1.18.dic b/schema/mmcif_nmr-star-v3.2.1.18.dic index 8779e05..01d123b 100644 --- a/schema/mmcif_nmr-star-v3.2.1.18.dic +++ b/schema/mmcif_nmr-star-v3.2.1.18.dic @@ -36575,6 +36575,7 @@ The kind of data contained in the file. 'Spectral image' ? 'Acquisition parameters' ? 'Processing parameters' ? + 'RNA fragment binding data' ? na ? stop_ diff --git a/schema/mmcif_nmr-star-v3.2.1.18.xsd b/schema/mmcif_nmr-star-v3.2.1.18.xsd index f45a2c2..cd4db3b 100644 --- a/schema/mmcif_nmr-star-v3.2.1.18.xsd +++ b/schema/mmcif_nmr-star-v3.2.1.18.xsd @@ -764,7 +764,8 @@ A set of angular order parameter data formatted as ASCII text. nillable="true" type="xsd:string"> - + The data format used to represent the angular order parameter data as ASCII text in the text block that is the value to the '_Angular_order_parameter_list.Text_data' @@ -835,8 +836,7 @@ yes name="ambiguous_conformational_states" nillable="true"> - + A yes/no flag automatically filled in by BMRB software on the basis of the information (tag _Molecule_ambiguous conformational_states) provided in the @@ -1013,7 +1013,8 @@ yes nillable="true" type="xsd:int"> - + An integer that represents the total number of molecular components that comprise the molecular system. @@ -1071,8 +1072,7 @@ Category assigned to the information in the saveframe. name="sf_framecode" type="xsd:string"> - + A descriptive label for the molecular assembly studied. @@ -1236,7 +1236,8 @@ Pointer to '_Assembly.ID' - + Very brief description of the biological function of the entity assembly. @@ -1292,8 +1293,7 @@ Pointer to '_Assembly.ID' - + Pointer to '_Citation.ID' @@ -1472,7 +1472,8 @@ Name of the molecular assembly in the database entry. nillable="true" type="xsd:string"> - + Relationship between the database entry and this BMRB entry. @@ -1509,8 +1510,7 @@ Accession code for the entry in the database. - + Pointer to '_Assembly.ID' @@ -1693,7 +1693,8 @@ Pointer to '_Entry.ID' - + A word or very brief phrase that provide a concise description of the entity assembly. @@ -2366,7 +2367,8 @@ shifts. name="chem_shift_reference_id" type="xsd:int"> - + Pointer to '_Chem_shift_reference.ID' @@ -2378,8 +2380,7 @@ Pointer to '_Chem_shift_reference.ID' nillable="true" type="xsd:string"> - + Pointer to a saveframe of category chem_shift_reference. @@ -2557,7 +2558,8 @@ Items in the assigned_peak_chem_shift category define the atom(s) assigned to in nillable="true" type="xsd:int"> - + ? @@ -2568,8 +2570,7 @@ Items in the assigned_peak_chem_shift category define the atom(s) assigned to in name="assembly_atom_id" type="xsd:int"> - + Pointer to '_Atom.Assembly_atom_ID' @@ -2736,7 +2737,8 @@ Pointer to '_Chem_comp.ID' name="comp_index_id" type="xsd:int"> - + Pointer to '_Entity_comp_index.ID' @@ -2761,8 +2763,7 @@ The fraction of a peak assigned to this peak ID. nillable="true" type="xsd:string"> - + Text describing the reported spectral peak assignment. @@ -2918,7 +2919,8 @@ NOT AVAILABLE name="assembly_atom_id" type="xsd:int"> - + Pointer to '_Atom.Assembly_atom_ID' @@ -2941,8 +2943,7 @@ Pointer to '_Assigned_chem_shift_list.ID' name="atom_chem_shift_id" type="xsd:int"> - + Pointer to '_Atom_chem_shift.ID' @@ -3095,7 +3096,8 @@ be by spin-system or other form of grouping implemented by software or by the us nillable="true" type="xsd:decimal"> - + The quantitative chemical shift value assigned to the transition. @@ -3104,8 +3106,7 @@ The quantitative chemical shift value assigned to the transition. - + Pointer to '_Entry.ID' @@ -3276,7 +3277,8 @@ Pointer to '_Chem_comp.ID' nillable="true" type="xsd:string"> - + The group of atoms to which the atom site belongs. This data item is provided for compatibility with the original Protein Data Bank format, and only for @@ -3290,8 +3292,7 @@ that purpose. nillable="true" type="xsd:string"> - + PDB insertion code. @@ -3480,7 +3481,8 @@ shift value. - + Pointer to '_Chem_comp_atom.Atom_ID' @@ -3491,8 +3493,7 @@ Pointer to '_Chem_comp_atom.Atom_ID' name="atom_isotope_number" type="xsd:int"> - + The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. @@ -3676,7 +3677,8 @@ Pointer to '_Resonance.ID' - + Pointer to '_Entity_poly_seq.Num' @@ -3684,8 +3686,7 @@ Pointer to '_Entity_poly_seq.Num' - + Assigned chemical shift value @@ -4064,8 +4065,7 @@ The value of '_Atom_site.Footnote_ID must match an ID specified by '_Atom_sites_ name="label_atom_id" type="xsd:string"> - + Pointer to '_Chem_comp_atom.Atom_ID' @@ -4076,7 +4076,8 @@ Pointer to '_Chem_comp_atom.Atom_ID' name="label_comp_id" type="xsd:string"> - + Pointer to '_Chem_comp.ID' @@ -4863,7 +4864,8 @@ Pointer to '_Entity_poly_seq.Num' type="xsd:int" use="required"> - + Pointer to '_Assembly_annotation_list.ID' @@ -4871,8 +4873,7 @@ Pointer to '_Assembly_annotation_list.ID' - + Pointer to '_Entry.ID' @@ -5054,7 +5055,8 @@ The estimated error in the reported relaxation value. - + Pointer to '_Chem_comp.ID' @@ -5065,8 +5067,7 @@ Pointer to '_Chem_comp.ID' name="comp_index_id" type="xsd:int"> - + Pointer to '_Entity_comp_index.ID' @@ -6071,7 +6072,8 @@ Text describing the reported binding parameter values. nillable="true" type="xsd:string"> - + A name assigned to the save frame. @@ -6083,8 +6085,7 @@ A name assigned to the save frame. nillable="true" type="xsd:string"> - + The experimental parameter measured when collecting the data used to calculate binding constants. @@ -6250,7 +6251,8 @@ Pointer to '_Binding_value_list.ID' - + Pointer to '_Entity.ID' @@ -6287,8 +6289,7 @@ NOT AVAILABLE name="assembly_id" type="xsd:int"> - + Pointer to '_Assembly.ID' @@ -6448,7 +6449,8 @@ Pointer to '_Entity_assembly.ID' name="atm_obs_entity_id" type="xsd:int"> - + Pointer to '_Entity.ID' @@ -6471,8 +6473,7 @@ Pointer to '_Entity_poly_seq.Num' name="experiment_id" type="xsd:int"> - + Pointer to '_Experiment.ID' @@ -6637,7 +6638,8 @@ Pointer to a saveframe of the category 'software' - + Pointer to '_Binding_value_list.ID' @@ -6654,8 +6656,7 @@ Pointer to '_Entry.ID' - + Pointer to '_Software.ID' @@ -6848,7 +6849,8 @@ Pointer to '_Atom.Assembly_atom_ID' - + Pointer to '_Chem_comp_atom.Atom_ID' @@ -6935,8 +6937,7 @@ SG nillable="true" type="xsd:string"> - + An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. @@ -7075,7 +7076,8 @@ to the value for Seq_ID or Comp_index_ID. - + Pointer to '_Chem_comp.ID' @@ -7169,8 +7171,7 @@ Pointer to '_Entity_assembly.Entity_assembly_name' nillable="true" type="xsd:string"> - + Pointer to '_Entity_assembly.Entity_assembly_name' @@ -7295,7 +7296,8 @@ Pointer to '_Assembly.ID' - + Pointer to '_Entry.ID' @@ -7463,8 +7465,7 @@ HB1 nillable="true" type="xsd:string"> - + An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. @@ -7495,7 +7496,8 @@ DPN nillable="true" type="xsd:int"> - + An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental @@ -7666,8 +7668,7 @@ Pointer to '_Entity.ID' name="selection_method_id" type="xsd:int"> - + Pointer to '_Method.ID' @@ -7684,7 +7685,8 @@ Pointer to '_Entity_poly_seq.Num' - + Pointer to '_Entity_poly_seq.Num' @@ -7896,7 +7898,8 @@ Pointer to '_Bond_annotation.ID' - + Pointer to '_Bond_annotation_list.ID' @@ -8075,7 +8078,8 @@ Standard symbol used to define the atom element type. name="atom_type_3" type="xsd:string"> - + Standard symbol used to define the atom element type. @@ -8086,8 +8090,7 @@ Standard symbol used to define the atom element type. name="atom_type_4" type="xsd:string"> - + Standard symbol used to define the atom element type. @@ -8272,7 +8275,8 @@ DPN nillable="true" type="xsd:string"> - + An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. @@ -8303,8 +8307,7 @@ DPN nillable="true" type="xsd:string"> - + An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. @@ -8509,7 +8512,8 @@ to the value for Seq_ID or Comp_index_ID. name="ca_chem_shift_val" type="xsd:decimal"> - + The value of the CA chemical shift. @@ -8532,8 +8536,7 @@ Estimated error in the CA chemical shift. name="cb_chem_shift_val" type="xsd:decimal"> - + The value of the CB chemical shift. @@ -8661,7 +8664,8 @@ Pointer to '_Entity_comp_index.ID' name="entity_assembly_id_1" type="xsd:int"> - + Pointer to '_Entity_assembly.ID' @@ -8696,8 +8700,7 @@ Pointer to '_Entity_assembly.ID' name="entity_assembly_id_4" type="xsd:int"> - + Pointer to '_Entity_assembly.ID' @@ -8828,7 +8831,8 @@ Pointer to '_Resonance.ID' name="resonance_id_5" type="xsd:int"> - + Pointer to '_Resonance.ID' @@ -8863,8 +8867,7 @@ Pointer to '_Entity_poly_seq.Num' - + Pointer to '_Entity_poly_seq.Num' @@ -8986,7 +8989,8 @@ Pointer to '_Sample.ID' nillable="true" type="xsd:string"> - + Sample(s) used in deriving the data @@ -9029,8 +9033,7 @@ Pointer to '_Entry.ID' - + Pointer to '_Experiment.ID' @@ -9186,7 +9189,8 @@ The units assigned to the CA-CB chemical shift constraint values. - + Pointer to '_Entry.ID' @@ -9235,8 +9239,7 @@ Pointer to '_Method.ID' nillable="true" type="xsd:string"> - + Pointer to a saveframe of the category 'method' @@ -9377,7 +9380,8 @@ Value for the defined characteristic of the chemical component. - + Estimated error in the reported characteristic of the chemical component. @@ -9386,7 +9390,8 @@ Estimated error in the reported characteristic of the chemical component. - + Pointer to '_Chem_comp.ID' @@ -9394,8 +9399,7 @@ Pointer to '_Chem_comp.ID' - + Pointer to '_Entry.ID' @@ -9620,7 +9624,8 @@ occuring isotope for each atom except carbon and nitrogen, where the mass of the nillable="true" type="xsd:decimal"> - + Mono-isotopic formula mass calculated using the most abundant naturally occuring isotope for each atom except nitrogen, where the mass of the 15N isotope @@ -9648,8 +9653,7 @@ occuring isotope for each atom. nillable="true" type="xsd:decimal"> - + Formula mass in daltons of the chemical component. @@ -9836,7 +9840,8 @@ A pointer to an external reference file from which the atomic nillable="true" type="xsd:string"> - + The source of the coordinates for the model of the component. @@ -9879,8 +9884,7 @@ iodinated base nillable="true" type="xsd:string"> - + A description of special details of a nonstandard monomer. @@ -10045,7 +10049,8 @@ component defintion. - + The tag value defines the source of the data used to construct the chem_comp record. @@ -10104,8 +10109,7 @@ This data item holds the current release status for the component. nillable="true" type="xsd:string"> - + Identifies the attribute id in category chem_comp of the new component that has replaced this component. @@ -10259,7 +10263,8 @@ component. nillable="true" type="xsd:string"> - + File format for the attached structure file. @@ -10312,8 +10317,7 @@ Synonym list for the component. nillable="true" type="xsd:string"> - + For standard polymer components, the three-letter code for the component. If there is not a standard three-letter code for this component, or if this is @@ -10483,7 +10487,8 @@ Pointer to '_Chem_comp_atom.Atom_ID' - + Pointer to '_Chem_comp_atom.Atom_ID' @@ -10555,8 +10560,7 @@ Items in the chem_comp_assembly category provide chemical component level nomenc nillable="true" type="xsd:string"> - + A sequence number from a sequence numbering scheme employed because of a requirement of a software applications. @@ -10684,7 +10688,8 @@ Pointer to '_Entity.ID' nillable="true" type="xsd:int"> - + A value imported from NEF files. A row number from the polymer sequence table in a NEF file. @@ -10735,8 +10740,7 @@ Pointer to '_Entity_comp_index.ID' - + Pointer to '_Entity_assembly.ID' @@ -10887,7 +10891,8 @@ R;S;E;Z;pro-R;pro-S nillable="true" type="xsd:string"> - + Text providing additional information about the atom. @@ -10954,8 +10959,7 @@ Mass number assigned to the atom. name="leaving_atom_flag" nillable="true"> - + A flag indicating a leaving atom. @@ -11077,7 +11081,8 @@ The standard uncertainty (estimated standard deviation) of attribute model_Cartn nillable="true" type="xsd:decimal"> - + Computed idealized coordinates, z component of the vector (in Angstroms) @@ -11140,8 +11145,7 @@ Ordinal index for the chemical component atom list. name="stereo_config" nillable="true"> - + The chiral configuration of the atom that is a chiral center. @@ -11303,7 +11307,8 @@ Items in the chem_comp_bond category define the chemical bonds in a chemical com name="aromatic_flag" nillable="true"> - + A flag indicating an aromatic bond. @@ -11354,8 +11359,7 @@ A text description of the bond. nillable="true" type="xsd:int"> - + Ordinal index for the component bond list. @@ -11536,7 +11540,8 @@ Items in the chem_comp_common_name category provide a list of common names for a - + Pointer to '_Chem_comp.ID' @@ -11562,8 +11567,7 @@ A synonym for the chemical component or monomer. - + The type of name given to the compound (abbreviation, etc.). @@ -11736,7 +11740,8 @@ PDB - + Pointer to '_Entry.ID' @@ -11778,8 +11783,7 @@ This data item contains the descriptor value for this component. - + Pointer to '_Entry.ID' @@ -11975,7 +11979,8 @@ Pointer to '_Entry.ID' - + A keyword or brief phrase describing the chemical compound. @@ -12017,8 +12022,7 @@ Pointer to '_Entry.ID' - + SMILES string for the chemical component. @@ -12179,7 +12183,8 @@ A text description of the torsion angle. - + Pointer to '_Chem_comp.ID' @@ -12227,8 +12232,7 @@ Items in the chem_shift_anisotropy category provide information about a list of nillable="true" type="xsd:string"> - + Text describing the reported chemical shift anisotropy data. @@ -13129,7 +13133,8 @@ Items in the chem_shift_experiment category provide pointers to the NMR experime name="experiment_name" type="xsd:string"> - + The name of an experiment used to determine the data reported. @@ -13150,8 +13155,7 @@ Pointer to '_Sample.ID' nillable="true" type="xsd:string"> - + Pointer to a saveframe of category sample. @@ -13316,7 +13320,8 @@ Category definition for the information content of the saveframe name="sf_framecode" type="xsd:string"> - + A label for the saveframe that describes in very brief terms the information contained in the saveframe. @@ -13342,8 +13347,7 @@ A set of chemical shift isotope effect data formatted as ASCII text. nillable="true" type="xsd:string"> - + The data format used to represent the chemical shift isotope effect data as ASCII text in the text block that is the value to the '_Chem_shift_isotope_effect.Text_data' @@ -13523,7 +13527,8 @@ that are interacting with it. nillable="true" type="xsd:decimal"> - + Estimated error in the chemical shift value. @@ -13543,8 +13548,7 @@ Pointer to '_Chem_comp.ID' name="comp_index_id" type="xsd:int"> - + Pointer to '_Entity_comp_index.ID' @@ -13697,7 +13701,8 @@ Pointer to '_Sample.ID' nillable="true" type="xsd:string"> - + Pointer to a saveframe of the category 'sample' @@ -13724,8 +13729,7 @@ Physical state of the sample either anisotropic or isotropic. type="xsd:int" use="required"> - + Pointer to '_Chem_shift_perturbation_list.ID' @@ -13902,7 +13906,8 @@ interaction observations as ASCII text in the text block that is the value to th - + The type of chemical shift perturbation reported. @@ -13928,8 +13933,7 @@ Pointer to '_Entry.ID' - + An integer value that uniquely identifies this saveframe of molecular interaction information from other saveframes of this category in an entry. @@ -14120,7 +14124,8 @@ reference sample. nillable="true" type="xsd:decimal"> - + An uniform correction value that was applied because of an extenuating circumstance such as data collection at an unusual temperature. @@ -14147,8 +14152,7 @@ Pointer to '_Citation.ID' nillable="true" type="xsd:string"> - + Pointer to a saveframe of the category citation. @@ -14356,7 +14360,8 @@ CHCL3 - + The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. @@ -14398,8 +14403,7 @@ Pointer to '_Chem_shift_reference.ID' - + Pointer to '_Entry.ID' @@ -14564,7 +14568,8 @@ Pointer to a saveframe of category software. type="xsd:int" use="required"> - + Pointer to '_Assigned_chem_shift_list.ID' @@ -14609,8 +14614,7 @@ Items in the chem_shifts_calc_software category provide pointers to the software - + Pointer to '_Method.ID' @@ -14788,7 +14792,8 @@ Pointer to '_Sample_condition_list.ID' nillable="true" type="xsd:string"> - + Enter the name (label) given to a set of sample conditions enter above in the 'sample conditions' section of the deposition. @@ -14831,8 +14836,7 @@ shifts or chemical shift tensors (not shielding tensors). name="quantum_mechanical_method" nillable="true"> - + The method used to calculate the chemical shifts or chemical shift tensors (not shielding tensors). @@ -15025,7 +15029,8 @@ Pointer to a saveframe of the category software. - + The type of descriptor provided. @@ -15137,8 +15142,7 @@ or any of its related tags. nillable="true" type="xsd:string"> - + The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). @@ -15237,7 +15241,8 @@ Pointer to '_Entity_comp_index.ID' name="entity_assembly_id" type="xsd:int"> - + Pointer to '_Entity_assembly.ID' @@ -15319,8 +15324,7 @@ be obtained. nillable="true" type="xsd:decimal"> - + Estimated minimum value for the observed rate when a specific value cannot be obtained. @@ -15414,7 +15418,8 @@ Pointer to a saveframe of the category 'NMR_spectrometer_expt' - + Pointer to '_Sample.ID' @@ -15524,8 +15529,7 @@ A name assigned to the save frame. name="sample_condition_list_id" type="xsd:int"> - + Pointer to '_Sample_condition_list.ID' @@ -15599,7 +15603,8 @@ text block that is the value to the '_Chemical_rate_list.Text_data' tag. - + Pointer to '_Entry.ID' @@ -15793,7 +15798,8 @@ listed in the entry. nillable="true" type="xsd:string"> - + The type of chromatographic column listed. @@ -15894,8 +15900,7 @@ Model of the listed autosampler. nillable="true" type="xsd:string"> - + Serial number of the listed autosampler. @@ -15980,7 +15985,8 @@ Name of the company or other entity that built the Mass spectrometer. - + The name or acronym used to describe the model of the spectrometer. @@ -16081,8 +16087,7 @@ Items in the citation category capture information common to all citations. nillable="true" type="xsd:string"> - + Title of the chapter from the book @@ -16184,7 +16189,8 @@ Volume designation for the book. nillable="true" type="xsd:string"> - + Code from the Chemical Abstract Services assigned to this citation. @@ -16304,8 +16310,7 @@ Colorado nillable="true" type="xsd:string"> - + Title of the conference @@ -16398,7 +16403,8 @@ ASTM identification code for the journal. nillable="true" type="xsd:string"> - + CSD identification code for the journal. @@ -16513,8 +16519,7 @@ First page of the published article nillable="true" type="xsd:string"> - + Last page of the published article @@ -16528,8 +16533,7 @@ Last page of the published article nillable="true" type="xsd:string"> - + The identification code assigned to the publication by PubMed. If this code is available no other information regarding the publication needs to be entered @@ -16608,7 +16612,8 @@ Purdue University nillable="true" type="xsd:string"> - + City where the institution awarding the degree is located. @@ -16755,8 +16760,7 @@ Doe - + A common family title (not a professional title). @@ -16853,7 +16857,8 @@ dynastic components, precedes the first name(s) or initial(s). - + Pointer to '_Citation.ID' @@ -17001,8 +17006,7 @@ Pointer to '_Citation.ID' - + Pointer to '_Entry.ID' @@ -17087,7 +17091,8 @@ Items in the computer category describe a computer. nillable="true" type="xsd:string"> - + Text information describing the computer. @@ -17210,8 +17215,7 @@ in the entry. - + Pointer to '_Entry.ID' @@ -17277,7 +17281,8 @@ Pointer to '_Computer.ID' - + Pointer to '_Entry.ID' @@ -17410,8 +17415,7 @@ X-PLOR - + Pointer to '_Conformer_stat_list.ID' @@ -17502,7 +17506,8 @@ Obsolete tag. nillable="true" type="xsd:string"> - + Additional information describing interesting features of the conformer ensemble and its derivation can be entered in this field. @@ -17603,8 +17608,7 @@ contained in the saveframe. - + Pointer to '_Entry.ID' @@ -17700,7 +17704,8 @@ isotropic type="xsd:int" use="required"> - + Pointer to '_Conformer_family_coord_set.ID' @@ -17806,8 +17811,7 @@ Pointer to '_Entry.ID' - + The method used to determine the structure. @@ -17931,7 +17935,8 @@ Items in the conformer_stat_list category provide information about a list of re name="conf_family_coord_set_id" type="xsd:int"> - + Pointer to '_Conformer_family_coord_set.ID' @@ -18035,8 +18040,7 @@ A name assigned to the save frame. nillable="true" type="xsd:int"> - + Local unique identifier assigned to the conformer statistics file submitted by a depositor. @@ -18139,7 +18143,8 @@ contained in the saveframe. nillable="true" type="xsd:string"> - + Text providing additional information regarding the reported statistical parameters for the conformer family and representative conformer. @@ -18357,7 +18362,8 @@ for the ensemble of conformers. nillable="true" type="xsd:decimal"> - + Estimated error in the average rmsd for the backbone heavy atom coordinates for the ensemble of conformers. @@ -18398,8 +18404,7 @@ for the ensemble of conformers. nillable="true" type="xsd:string"> - + List the heavy atoms excluded in calculating the backbone heavy atom coordinate statistics. @@ -18565,7 +18570,8 @@ Impropers energy value calculated for the ensemble of conformers. nillable="true" type="xsd:decimal"> - + Estimated error in the impropers energy value calculated for the ensemble of conformers. @@ -18610,8 +18616,7 @@ Estimated error in the rmsd value for improper angles from idealized values. nillable="true" type="xsd:decimal"> - + Leonard-Jones energy value calculated for the ensemble of conformers. @@ -18769,7 +18774,8 @@ for the ensemble of conformers. nillable="true" type="xsd:decimal"> - + Estimated error in the average rmsd for the sidechain heavy atom coordinates for the ensemble of conformers. @@ -18810,8 +18816,7 @@ coordinates for the ensemble of conformers. nillable="true" type="xsd:string"> - + List the heavy atoms excluded in calculating the sidechain heavy atom coordinate statistics. @@ -18996,7 +19001,8 @@ Angle energy value calculated for the representative conformer. nillable="true" type="xsd:decimal"> - + Estimated error in the angle energy value calculated for the representative conformer. @@ -19035,8 +19041,7 @@ Estimated error in the rmsd value for bond angles from idealized values. nillable="true" type="xsd:decimal"> - + Bond energy value calculated for the representative conformer. @@ -19182,7 +19187,8 @@ conformer. nillable="true" type="xsd:decimal"> - + Estimated error in the non-crystallographic symmetry energy value calculated for the representative conformer. @@ -19222,8 +19228,7 @@ conformer. nillable="true" type="xsd:decimal"> - + Root mean squared deviation of peptide planarity from idealized values. @@ -19403,7 +19408,8 @@ Total energy value calculated for the representative conformer. nillable="true" type="xsd:decimal"> - + Estimated error in the total energy value calculated for the representative conformer. @@ -19440,8 +19446,7 @@ conformer. - + Pointer to '_Conformer_stat_list.ID' @@ -19602,7 +19607,8 @@ Pointer to '_Constraint_stat_list.ID' - + Specific type of constraint. @@ -19694,8 +19700,7 @@ Items in the constraint_stat_list category provide information about a list of r nillable="true" type="xsd:int"> - + Total number of angle constraints assumed to be present. @@ -19846,7 +19851,8 @@ Total number of constraints derived from photo cidnp data. nillable="true" type="xsd:string"> - + Text providing additional information regarding the reported constraint statistics. @@ -19907,8 +19913,7 @@ Number of H-bonds constrained by experimental data nillable="true" type="xsd:int"> - + Total number of nucleic acid alpha angle contstraints @@ -20040,7 +20045,8 @@ Total number of other kinds of nucleic acid constraints nillable="true" type="xsd:int"> - + Total number of nucleic acid sugar pucker constraints @@ -20090,8 +20096,7 @@ Total number of ambiguous intramolecular NOE constraints. name="noe_dist_averaging_method" nillable="true"> - + Mothod used to correct for motional averaging in evaluating interproton distances from NOE data. @@ -20276,7 +20281,8 @@ yes/no nillable="true" type="xsd:int"> - + Enter the total count of NOE values that represent interactions between sequential residues in the biopolymer chain (|i-j| = 1). @@ -20319,8 +20325,7 @@ Provide the total count of all NOE values used to calculate the conformers. nillable="true" type="xsd:int"> - + Total number of unambiguous intermolecular NOE constraints. @@ -20471,7 +20476,8 @@ Total number of ambiguous intermolecular residual dipolar coupling constraints. nillable="true" type="xsd:int"> - + Total number of ambiguous intramolecular residual dipolar coupling constraints. @@ -20513,8 +20519,7 @@ One bond coupling between alpha carbon and alpha proton nillable="true" type="xsd:int"> - + One bond coupling between alpha carbon and amide nitrogen @@ -20672,7 +20677,8 @@ Total number of medium range (|i-j|<5) residual dipolar coupling constraints. nillable="true" type="xsd:int"> - + One bond coupling between amide nitrogen and amide proton @@ -20727,8 +20733,7 @@ Total number of all RDC constraints nillable="true" type="xsd:int"> - + Total number of unambiguous intermolecular residual dipolar coupling constraints. @@ -20877,7 +20882,8 @@ Total number of other kinds of ROE constraints. name="roe_pseudoatom_corrections" nillable="true"> - + A yes/no flag that defines whether pseudoatom corrections have been applied in calculating the ROE restraint statistics. @@ -20938,8 +20944,7 @@ Total number of unambiguous intermolecular ROE constraints. nillable="true" type="xsd:int"> - + Total number of unambiguous intramolecular ROE constraints. @@ -21091,7 +21096,8 @@ Root mean squared deviation calculated over all distance constraint violations. nillable="true" type="xsd:decimal"> - + Estimated error in the rmsd calculated over all distance contstraint violations. @@ -21267,8 +21273,7 @@ Root mean square deviation for the 13C-13C residual dipolar coupling restraints. nillable="true" type="xsd:decimal"> - + Root mean square deviation error for the 13C-13C residual dipolar coupling restraints. @@ -21308,7 +21313,8 @@ restraints. nillable="true" type="xsd:decimal"> - + Root mean square deviation for the 1H-15N residual dipolar coupling restraints. @@ -21461,8 +21467,7 @@ violations for the ensemble of conformers. nillable="true" type="xsd:decimal"> - + Estimated error in the rmsd calculated over the 'long range' distnace constraint violations for the ensemble of conformers. @@ -21502,7 +21507,8 @@ violations for the ensemble of conformers. nillable="true" type="xsd:decimal"> - + Estimated error in the rmsd calculated over the 'sequencial' distance constraint violations for the ensemble of conformers. @@ -21675,8 +21681,7 @@ distance constraint violations for the representative conformer. name="constraint_stats_not_available" nillable="true"> - + Depositors are strongly encouraged to enter statistics regarding the submitted constraints and the coordinates for the deposited representative conformer. @@ -21709,7 +21714,8 @@ calculated over the representative conformer. nillable="true" type="xsd:decimal"> - + Estimated error in the dihedral angle constraint violations calculated over the representative conformer. @@ -21872,8 +21878,7 @@ violations for the representative conformer. nillable="true" type="xsd:decimal"> - + Estimated error in the rmsd calculated over the hydrogen bond constraint violations for the representative conformer. @@ -21900,7 +21905,8 @@ violations for the representative conformer. nillable="true" type="xsd:decimal"> - + Estimated error in the rmsd calculated over the intraresidue distance constraint violations for the representative conformer. @@ -22088,8 +22094,7 @@ Items in the constraint_stats_constr_list category define the sets of constraint name="constraint_list_label" type="xsd:string"> - + Pointer to a saveframe that contains structural constraint values. @@ -22098,7 +22103,8 @@ Pointer to a saveframe that contains structural constraint values. - + Saveframe category for the type of constraints used to calculate the constraint statistics. @@ -22267,8 +22273,7 @@ Standard symbol used to define the atom element type. name="atom_type_2" type="xsd:string"> - + Standard symbol used to define the atom element type. @@ -22295,7 +22300,8 @@ describes the structure. nillable="true" type="xsd:string"> - + An alternative identifier for attribute label_asym_ID in category atom_site that may be provided by an author in order to match the identification used in the publication that @@ -22481,8 +22487,7 @@ Pointer to '_Entity_comp_index.ID' name="comp_index_id_2" type="xsd:int"> - + Pointer to '_Entity_comp_index.ID' @@ -22506,7 +22511,8 @@ Text providing additional information about the reported coupling constants. name="entity_assembly_id_1" type="xsd:int"> - + Pointer to '_Entity_assembly.ID' @@ -22649,8 +22655,7 @@ defined value cannot be obtained. - + Pointer to '_Coupling_constant_list.ID' @@ -22698,7 +22703,8 @@ Items in the coupling_constant_experiment category provide pointers to the NMR e name="experiment_name" type="xsd:string"> - + Pointer to a saveframe of the category NMR spectrometer experiment. @@ -22843,8 +22849,7 @@ Pointer to a saveframe of the category sample_conditions. name="sf_category" type="xsd:string"> - + Category assigned to the information in the saveframe. @@ -22900,7 +22905,8 @@ the data. nillable="true" type="xsd:string"> - + A set of scalar coupling constant data formatted as ASCII text. @@ -23056,8 +23062,7 @@ Pointer to '_Atom.Assembly_atom_ID' name="csa_assembly_atom_id_2" type="xsd:int"> - + Pointer to '_Atom.Assembly_atom_ID' @@ -23093,7 +23098,8 @@ Pointer to '_Chem_comp_atom.Atom_ID' nillable="true" type="xsd:int"> - + The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. @@ -23260,8 +23266,7 @@ to the value for Seq_ID or Comp_index_ID. nillable="true" type="xsd:string"> - + An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. @@ -23313,7 +23318,8 @@ Pointer to '_Entity_comp_index.ID' name="csa_comp_index_id_2" type="xsd:int"> - + Pointer to '_Entity_comp_index.ID' @@ -23432,8 +23438,7 @@ Pointer to '_Atom.Assembly_atom_ID' name="dipole_assembly_atom_id_2" type="xsd:int"> - + Pointer to '_Atom.Assembly_atom_ID' @@ -23497,7 +23502,8 @@ or any of its related tags. nillable="true" type="xsd:string"> - + Standard symbol used to define the atom element type. @@ -23636,8 +23642,7 @@ to the value for Seq_ID or Comp_index_ID. nillable="true" type="xsd:string"> - + An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. @@ -23713,7 +23718,8 @@ Pointer to '_Entity_assembly.ID' name="dipole_entity_assembly_id_2" type="xsd:int"> - + Pointer to '_Entity_assembly.ID' @@ -23819,8 +23825,7 @@ value. type="xsd:int" use="required"> - + Pointer to '_Cross_correlation_D_CSA_list.ID' @@ -23899,7 +23904,8 @@ Pointer to a saveframe of the category 'sample' - + Physical state of the sample either anisotropic or isotropic. @@ -24017,8 +24023,7 @@ the data for determination of the cross-correlation values. name="sf_category" type="xsd:string"> - + Category definition for the information content of the saveframe @@ -24110,7 +24115,8 @@ Pointer to '_Entry.ID' - + Unique identifier for the list of cross-correlation values. @@ -24221,8 +24227,7 @@ Items in the cross_correlation_DD category describe the dipole-dipole cross-corr name="dipole_1_assembly_atom_id_1" type="xsd:int"> - + Pointer to '_Atom.Assembly_atom_ID' @@ -24311,7 +24316,8 @@ Standard symbol used to define the atom element type. nillable="true" type="xsd:string"> - + Standard symbol used to define the atom element type. @@ -24419,8 +24425,7 @@ need to correspond to the value for Entity_assembly_ID. nillable="true" type="xsd:string"> - + An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. @@ -24514,7 +24519,8 @@ Pointer to '_Entity_assembly.ID' name="dipole_1_entity_assembly_id_2" type="xsd:int"> - + Pointer to '_Entity_assembly.ID' @@ -24597,8 +24603,7 @@ Pointer to '_Entity_poly_seq.Num' name="dipole_2_assembly_atom_id_1" type="xsd:int"> - + Pointer to '_Atom.Assembly_atom_ID' @@ -24687,7 +24692,8 @@ Standard symbol used to define the atom element type. nillable="true" type="xsd:string"> - + Standard symbol used to define the atom element type. @@ -24813,8 +24819,7 @@ to the value for Seq_ID or Comp_index_ID. nillable="true" type="xsd:string"> - + An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. @@ -24902,7 +24907,8 @@ Pointer to '_Entity_assembly.ID' name="dipole_2_entity_id_1" type="xsd:int"> - + Pointer to '_Entity.ID' @@ -24996,8 +25002,7 @@ value. type="xsd:int" use="required"> - + Pointer to '_Cross_correlation_DD_list.ID' @@ -25095,7 +25100,8 @@ Physical state of the sample either anisotropic or isotropic. type="xsd:int" use="required"> - + Pointer to '_Cross_correlation_DD_list.ID' @@ -25194,8 +25200,7 @@ the data for determination of the cross-correlation values. name="sf_category" type="xsd:string"> - + Category definition for the information content of the saveframe @@ -25316,7 +25321,8 @@ Items in the cross_correlation_DD_software category provide pointers to the soft - + Pointer to '_Method.ID' @@ -25408,8 +25414,7 @@ Pointer to '_Atom.Assembly_atom_ID' - + Pointer to '_Chem_comp_atom.Atom_ID' @@ -25520,7 +25525,8 @@ Value for the bond length - + Pointer to '_Chem_comp.ID' @@ -25604,8 +25610,7 @@ Value for the gamma Euler angle. nillable="true" type="xsd:decimal"> - + Value for the first diagonal element for the principal matrix. @@ -25692,7 +25697,8 @@ Pointer to '_Chem_shift_anisotropy.ID' - + Pointer to '_Entry.ID' @@ -25786,8 +25792,7 @@ Pointer to '_Chem_shift_anisotropy.ID' - + Pointer to '_Entry.ID' @@ -25875,7 +25880,8 @@ Pointer to '_Entry.ID' - + Pointer to '_Software.ID' @@ -25973,8 +25979,7 @@ Pointer to '_Entry.ID' - + Pointer to '_Experiment.ID' @@ -26085,7 +26090,8 @@ Items in the D_H_fractionation_factor category describe the deuterium/hydrogen f name="assembly_atom_id" type="xsd:int"> - + Pointer to '_Atom.Assembly_atom_ID' @@ -26178,8 +26184,7 @@ to the value for Seq_ID or Comp_index_ID. - + Pointer to '_Chem_comp.ID' @@ -26266,7 +26271,8 @@ Estimated error in the reported deuterium-hydrogen fractionation factor value. type="xsd:int" use="required"> - + Pointer to '_D_H_fractionation_factor_list.ID' @@ -26365,8 +26371,7 @@ the data for determination of the D/H fractionation factors. name="sf_category" type="xsd:string"> - + Category definition for the information content of the saveframe @@ -26465,7 +26470,8 @@ by the value to the tag '_Saveframe_category_type' in this loop. - + Pointer to '_Entry.ID' @@ -26689,8 +26695,7 @@ Pointer to '_NMR_spec_expt.ID' - + Specific time period during the full pulse sequence where the decoupling pulse sequence is applied. @@ -26807,7 +26812,8 @@ need to correspond to the value for Entity_assembly_ID. nillable="true" type="xsd:string"> - + An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. @@ -26892,8 +26898,7 @@ Pointer to '_Entity_poly_seq.Num' name="heavy_atom_assembly_atom_id_1" type="xsd:int"> - + Pointer to '_Atom.Assembly_atom_ID' @@ -26997,7 +27002,8 @@ HB1 nillable="true" type="xsd:string"> - + An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. @@ -27095,8 +27101,7 @@ to the value for Seq_ID or Comp_index_ID. name="heavy_atom_comp_id_1" type="xsd:string"> - + Pointer to '_Chem_comp.ID' @@ -27191,7 +27196,8 @@ Pointer to '_Entity.ID' name="heavy_atom_seq_id_1" type="xsd:int"> - + Pointer to '_Entity_poly_seq.Num' @@ -27272,8 +27278,7 @@ Pointer to a saveframe of the category 'NMR_spectrometer_expt' - + Pointer to '_Sample.ID' @@ -27396,7 +27401,8 @@ Pointer to '_Sample_condition_list.ID' name="sample_condition_list_label" type="xsd:string"> - + Pointer to a saveframe of the category 'sample_conditions' @@ -27457,8 +27463,7 @@ text in the text block that is the value to the '_Deduced_H_bond_list.Text_data' - + Pointer to '_Entry.ID' @@ -27599,7 +27604,8 @@ Pointer to '_Sample.ID' nillable="true" type="xsd:string"> - + Pointer to a saveframe of the category 'sample' @@ -27644,8 +27650,7 @@ Pointer to '_Entry.ID' - + Pointer to '_Experiment.ID' @@ -27798,7 +27803,8 @@ Pointer to '_Method.ID' nillable="true" type="xsd:string"> - + Pointer to a saveframe of the category 'method' @@ -27847,8 +27853,7 @@ static field (Bo) for a solid state sample. type="xsd:int" use="required"> - + Pointer to '_Deduced_secd_struct_list.ID' @@ -27999,7 +28004,8 @@ Enter a name for this secondary structure element name="chem_comp_struct_val" type="xsd:decimal"> - + A value defining the assignment of the chemical component to a secondary structure feature. @@ -28052,8 +28058,7 @@ Pointer to '_Entity_poly_seq.Num' name="spin_system_id" type="xsd:int"> - + Pointer to '_Spin_system.ID' @@ -28166,7 +28171,8 @@ A name assigned to the save frame. nillable="true" type="xsd:string"> - + Text providing additional information about the values assigned to specific residues in the secondary structures. @@ -28241,8 +28247,7 @@ A set of secondary structure data formatted as ASCII text. nillable="true" type="xsd:string"> - + The data format used to represent the secondary structure data as ASCII text in the text block that is the value to the '_Deduced_secd_struct_list.Text_data' @@ -28345,7 +28350,8 @@ Pointer to '_Entry.ID' - + Pointer to '_Software.ID' @@ -28431,8 +28437,7 @@ Pointer to '_Chem_comp_atom.Atom_ID' - + Pointer to '_Chem_comp_atom.Atom_ID' @@ -28560,7 +28565,8 @@ DPN nillable="true" type="xsd:string"> - + An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental @@ -28632,8 +28638,7 @@ Pointer to '_Chem_comp.ID' - + Pointer to '_Chem_comp.ID' @@ -28756,7 +28761,8 @@ Value for the principal Euler angle beta. nillable="true" type="xsd:decimal"> - + Value for the principal Euler angle gamma. @@ -28810,8 +28816,7 @@ Pointer to '_Entity_poly_seq.Num' nillable="true" type="xsd:decimal"> - + Dipolar coupling value @@ -28932,7 +28937,8 @@ Pointer to '_Sample.ID' nillable="true" type="xsd:string"> - + Pointer to a saveframe of the category 'sample' @@ -29005,8 +29011,7 @@ Items in the dipolar_coupling_list category provide information about a list of nillable="true" type="xsd:string"> - + Additional information regarding the Dipolar coupling data set can be entered in this field. @@ -29136,7 +29141,8 @@ A set of dipolar coupling data formatted as ASCII text. nillable="true" type="xsd:string"> - + The data format used to represent the dipolar coupling data as ASCII text in the text block that is the value to the '_Dipolar_coupling.Text_data' tag. @@ -29208,8 +29214,7 @@ Pointer to a saveframe of the category 'method' name="software_label" type="xsd:string"> - + Pointer to a saveframe of the category 'software' @@ -29322,7 +29327,8 @@ or any of its related tags. nillable="true" type="xsd:int"> - + The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. @@ -29407,8 +29413,7 @@ DPN nillable="true" type="xsd:string"> - + An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. @@ -29520,7 +29525,8 @@ Pointer to '_Entity_comp_index.ID' name="comp_index_id_2" type="xsd:int"> - + Pointer to '_Entity_comp_index.ID' @@ -29591,8 +29597,7 @@ Pointer to '_Resonance.ID' name="resonance_id_2" type="xsd:int"> - + Pointer to '_Resonance.ID' @@ -29692,7 +29697,8 @@ Items in the dipole_dipole_relax_experiment category provide pointers to the NMR name="experiment_name" type="xsd:string"> - + Pointer to a saveframe of the category 'NMR_spectrometer_expt' @@ -29759,8 +29765,7 @@ Pointer to '_Entry.ID' - + Pointer to '_Experiment.ID' @@ -29880,7 +29885,8 @@ the data. nillable="true" type="xsd:string"> - + A set of dipole-dipole relaxation data formatted as ASCII text. @@ -29970,8 +29976,7 @@ Pointer to '_Method.ID' nillable="true" type="xsd:string"> - + Pointer to a saveframe of the category 'method' @@ -30087,7 +30092,8 @@ Pointer to '_Entry.ID' - + Pointer to '_Software.ID' @@ -30172,8 +30178,7 @@ or any of its related tags. - + The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). @@ -30304,7 +30309,8 @@ Unique identifier for a member of the constraint node nillable="true" type="xsd:decimal"> - + Fractional contribution of the constraint @@ -30357,8 +30363,7 @@ Pointer to '_Entity_poly_seq.Num' type="xsd:int" use="required"> - + Pointer to '_Distance_constraint_list.ID' @@ -30366,8 +30371,7 @@ Pointer to '_Distance_constraint_list.ID' - + Pointer to '_Entry.ID' @@ -30481,7 +30485,8 @@ The text of the comment parsed from the distance constraint file. type="xsd:int" use="required"> - + Pointer to '_Distance_constraint_list.ID' @@ -30565,8 +30570,7 @@ Pointer to '_Dist_constraint_parse_file.ID' name="parse_file_constraint_id" type="xsd:int"> - + Identifier for the constraint in the parse file that produced a conversion error. @@ -30676,7 +30680,8 @@ The column in the distance constraint file where the parse error ended. nillable="true" type="xsd:int"> - + The line in the distance constraint file where the parse error ended. @@ -30837,8 +30842,7 @@ ID of another sibling to the right. 0 means no node to the right. - + Unique identifier for the constraint in the list of constraints contained in one save frame. @@ -30867,7 +30871,8 @@ Pointer to '_Entry.ID' - + Nodes with logic only do not need to be listed here. Combined atoms into pseudo atoms (e.g. LEU QG for all 6 protons) is preferred to keep this loop limited. @@ -31037,8 +31042,7 @@ Pointer to '_Distance_constraint_list.ID' - + Pointer to '_Entry.ID' @@ -31084,7 +31088,8 @@ Pointer to a saveframe of the category 'NMR_spectrometer_expt' - + Pointer to '_Method.ID' @@ -31259,8 +31264,7 @@ constraints. nillable="true" type="xsd:string"> - + A name assigned to the save frame. @@ -31283,7 +31287,8 @@ Category definition for the information content of the saveframe name="sf_framecode" type="xsd:string"> - + A label for the saveframe that describes in very brief terms the information contained in the saveframe. @@ -31468,8 +31473,7 @@ Pointer to '_EMR_instrument.ID' nillable="true" type="xsd:string"> - + Pointer to a saveframe of category 'EMR_instrument'. @@ -31477,7 +31481,8 @@ Pointer to a saveframe of category 'EMR_instrument'. - + Pointer to '_Method.ID' @@ -31878,8 +31883,7 @@ of entities maintained at BMRB. nillable="true" type="xsd:decimal"> - + The theoretical isoelectric point for the entity. @@ -31891,7 +31895,8 @@ The theoretical isoelectric point for the entity. nillable="true" type="xsd:date"> - + Last date that a query was conducted to locate entries in databases that are related to this molecular entity. @@ -32083,8 +32088,7 @@ no - + A boolean flag that indicates the presence (N) or absence (Y) of non-standard chemical components in the entity. @@ -32105,7 +32109,8 @@ yes nillable="true" type="xsd:int"> - + The number of chemical components that make up a polymer entity. @@ -32313,8 +32318,7 @@ Category assigned to the information in the saveframe. name="sf_framecode" type="xsd:string"> - + A descriptive label that uniquely identifies this entity from all other chemically unique entities in the molecular assembly studied. @@ -32329,7 +32333,8 @@ HIV protease polypeptide nillable="true" type="xsd:string"> - + The method by which the sample for the entity was produced. Entities isolated directly from natural sources (tissues, soil samples, etc.) are expected @@ -32557,8 +32562,7 @@ HIV protease polypeptide name="experimental_data_reported" nillable="true"> - + A flag indicating whether experimental data for a specific component of the assembly is reported. @@ -32596,7 +32600,8 @@ for the group. nillable="true" type="xsd:string"> - + PDB chain ID. @@ -32760,8 +32765,7 @@ Pointer to '_Entry.ID' - + The value of '_Entity_atom_list.ID' must uniquely identify an atom in the entity. @@ -32800,7 +32804,8 @@ electron transport; protease; kinase - + Pointer to '_Entity.ID' @@ -32978,8 +32983,7 @@ Pointer to '_Entry.ID' - + The value of attribute id in category Entity_bond must uniquely identify a record in the Entity_bond list. @@ -33011,7 +33015,8 @@ NOT AVAILABLE nillable="true" type="xsd:string"> - + Pointer to '_Chem_comp.ID' @@ -33167,8 +33172,7 @@ Pointer to '_Entry.ID' - + The value of '_Entity_chimera_segment.ID' must uniquely identify a record in the Entity_fragment list. @@ -33199,7 +33203,8 @@ Items in the entity_citation category provide pointers to citations save frames name="citation_label" type="xsd:string"> - + Pointer to a saveframe of the category citation. @@ -33366,8 +33371,7 @@ Pointer to '_Entry.ID' - + Unique ID for the compound in the entity @@ -33396,7 +33400,8 @@ Items in the entity_comp_index_alt category define an alternate residue numberin nillable="true" type="xsd:string"> - + Author supplied sequence number identifying the position in the sequence of the polymer where the alternate residue or chemical compound is located. @@ -33608,8 +33613,7 @@ structure. nillable="true" type="xsd:int"> - + An integer value used to maintain the order of the rows in the entity DB loop when reading and writing NMR-STAR files. @@ -33622,7 +33626,8 @@ loop when reading and writing NMR-STAR files. nillable="true" type="xsd:string"> - + The sequence position in the database sequence at which the alignment with the sequence of the biopolymer studied begins. @@ -33826,8 +33831,7 @@ Items in the entity_deleted_atom category define the atoms that are deleted from nillable="true" type="xsd:string"> - + Pointer to '_Chem_comp_atom.Atom_ID' @@ -33839,7 +33843,8 @@ Pointer to '_Chem_comp_atom.Atom_ID' nillable="true" type="xsd:string"> - + An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. @@ -34430,8 +34435,7 @@ pBR322 - + The laboratory method used to obtain the biopolymers studied. @@ -34458,7 +34462,8 @@ recombinant technology nillable="true" type="xsd:string"> - + Text comments regarding the vector used to produce the biopolymer. @@ -34685,7 +34690,8 @@ Organism culture number defined in the American Type Culture Collection. nillable="true" type="xsd:string"> - + Name the specific line of cells used in the experiment. @@ -34865,8 +34871,7 @@ A domain or fragment of the molecule. nillable="true" type="xsd:string"> - + Name of the gene that is the source of the biopolymer @@ -34880,7 +34885,8 @@ tmoC nillable="true" type="xsd:string"> - + Genus for the natural organism @@ -35187,8 +35193,7 @@ gm3c2; BH10 isolate nillable="true" type="xsd:string"> - + Name used to define a subvariant of an organism. @@ -35196,7 +35201,8 @@ Name used to define a subvariant of an organism. - + Scientific superkingdom classification for an organism as defined by NCBI taxonomists. @@ -35422,8 +35428,7 @@ in sequence. This would be rare. nillable="true" type="xsd:string"> - + This data item is a pointer to '_Chem_comp.ID' in the chem_comp category. @@ -35432,7 +35437,8 @@ This data item is a pointer to '_Chem_comp.ID' in the chem_comp category. - + Pointer to '_Entity.ID' @@ -35584,8 +35590,7 @@ Pointer to '_Entry.ID' - + An integer value that uniquely identifies the purity value in the table of reported purity values in the entry. @@ -35624,7 +35629,8 @@ Pointer to a saveframe of the category citation. - + Pointer to '_Citation.ID' @@ -35846,7 +35852,8 @@ RCSB100000 nillable="true" type="xsd:string"> - + PDB accession number for this entry @@ -36006,8 +36013,7 @@ The creator program name for this data file. nillable="true" type="xsd:string"> - + The creator program version for this data file. @@ -36063,7 +36069,8 @@ Version of NMR-STAR in which the original entry was generated. nillable="true" type="xsd:date"> - + Date the entry was originally released. @@ -36206,8 +36213,7 @@ The BMRB entry type with respect to the type of molecular system studied. nillable="true" type="xsd:string"> - + The universal identifier for this data sert. @@ -36303,7 +36309,8 @@ Jr. nillable="true" type="xsd:string"> - + Initial of the author's first name. @@ -36491,8 +36498,7 @@ Items in the entry_src category describe the organization that is the source of nillable="true" type="xsd:string"> - + Name of the organization (company, research laboratory, etc.) that carried out the research reported in the entry. @@ -36546,7 +36552,8 @@ Pointer to '_Entry.ID' - + A unique integer identifier for this organization or project within the entry. @@ -36703,8 +36710,7 @@ Pointer to a saveframe of category 'fluorescence_instrument'. nillable="true" type="xsd:int"> - + Pointer to '_FRET_expt.ID' @@ -36741,7 +36747,8 @@ Pointer to '_Mass_spec.ID' nillable="true" type="xsd:string"> - + Pointer to a saveframe of category 'Mass_spectrometer'. @@ -36894,8 +36901,7 @@ Pointer to saveframe of category 'NMR_spectrometer_probe' nillable="true" type="xsd:string"> - + The kind of NMR sample tube used to hold the sample during the NMR experiment. @@ -36928,7 +36934,8 @@ yes nillable="true" type="xsd:decimal"> - + The angle at which the sample was positioned in the NMR spectrometer during the NMR experiment. @@ -37090,8 +37097,7 @@ Pointer to '_Xray_instrument.ID' nillable="true" type="xsd:string"> - + Pointer to a saveframe of category 'Xray_instrument'. @@ -37109,7 +37115,8 @@ Pointer to '_Entry.ID' - + Pointer to '_Experiment_list.ID' @@ -37160,6 +37167,7 @@ The kind of data contained in the file. + @@ -37303,8 +37311,7 @@ the entry. - + Pointer to '_Entry.ID' @@ -37312,7 +37319,8 @@ Pointer to '_Entry.ID' - + Unique identifier for the list of NMR experiments. @@ -37497,8 +37505,7 @@ DPN nillable="true" type="xsd:int"> - + An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental @@ -37514,7 +37521,8 @@ data. Note that the value is not required to be a number. nillable="true" type="xsd:int"> - + An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental @@ -37676,8 +37684,7 @@ Pointer to '_Resonance.ID' - + Pointer to '_Entity_poly_seq.Num' @@ -37697,7 +37704,8 @@ Pointer to '_Entity_poly_seq.Num' name="stereospecific_assignment_code" type="xsd:string"> - + Code used to define the type of stereospecific assignment. @@ -37868,8 +37876,7 @@ Items in the floating_chirality_software category provide pointers to the softwa - + Pointer to '_Method.ID' @@ -37893,7 +37900,8 @@ Pointer to a saveframe of the category 'method' name="software_label" type="xsd:string"> - + Pointer to a saveframe of the category 'software' @@ -38047,8 +38055,7 @@ The type of Fluorescence instrument used. - + Pointer to '_Entry.ID' @@ -38083,7 +38090,8 @@ Items in the force_constant category record the force constant terms and their v - + Select a force constant parameter from the list provided or enter your own name for the parameter that you are entering a value. @@ -38295,8 +38303,7 @@ Items in the force_constant_software category provide pointers to the software c - + Pointer to '_Method.ID' @@ -38308,7 +38315,8 @@ Pointer to '_Method.ID' nillable="true" type="xsd:string"> - + Pointer to a saveframe of the category 'method' @@ -38472,8 +38480,7 @@ The units of the measure for the volume of the sample. name="sf_category" type="xsd:string"> - + Category assigned to the information in the saveframe. @@ -38497,7 +38504,8 @@ listed in the entry. name="software_id" type="xsd:int"> - + Pointer to '_Software.ID' @@ -38654,8 +38662,7 @@ The value for this tag is a standard IUPAC abbreviation for an element nillable="true" type="xsd:string"> - + Author's alternate location identifier. @@ -38680,7 +38687,8 @@ Author's alternate location identifier. nillable="true" type="xsd:string"> - + An alternative identifier for Asym_ID that may be provided by an author in order to match that used in the publication that describes the experimental @@ -38887,8 +38895,7 @@ to the value for Seq_ID or Comp_index_ID. nillable="true" type="xsd:string"> - + An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. @@ -38905,7 +38912,8 @@ to the value for Seq_ID or Comp_index_ID. nillable="true" type="xsd:int"> - + An identifier for a constraint item combination within a distance constraint. Constraint items with the same Constraint.combination_id must be part of @@ -39659,7 +39667,8 @@ Text providing additional information regarding a converion error. name="conv_error_type" type="xsd:string"> - + Type of constraint conversion error. @@ -39670,8 +39679,7 @@ Type of constraint conversion error. name="gen_dist_constraint_parse_file_id" type="xsd:int"> - + Pointer to '_Gen_dist_constraint_parse_file.ID' @@ -39832,7 +39840,8 @@ Pointer to '_Experiment.ID' type="xsd:int" use="required"> - + Pointer to '_Gen_dist_constraint_list.ID' @@ -39874,8 +39883,7 @@ Pointer to '_Constraint_file.Block_ID' nillable="true" type="xsd:int"> - + Pointer to '_Constraint_file.ID' @@ -40067,7 +40075,8 @@ The column in the distance constraint file where the parse error began. nillable="true" type="xsd:int"> - + The line in the distance constraint file where the parse error began. @@ -40088,8 +40097,7 @@ The text content of the parse error. nillable="true" type="xsd:int"> - + The column in the distance constraint file where the parse error ended. @@ -40264,7 +40272,8 @@ Pointer to '_Entry.ID' type="xsd:int" use="required"> - + Pointer to '_Gen_dist_constraint_list.ID' @@ -40304,8 +40313,7 @@ NOT AVAILABLE nillable="true" type="xsd:string"> - + The value range assigned to the software parameter, if range is appropriate. @@ -40476,7 +40484,8 @@ HB1 nillable="true" type="xsd:string"> - + An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. @@ -40508,8 +40517,7 @@ data. Note that the value is not required to be a number. nillable="true" type="xsd:string"> - + An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. @@ -40642,7 +40650,8 @@ Pointer to '_H_chem_shift_constraint_list.ID' - + Unique identifier for a reported proton chemical shift constraint in the list contained within one save frame. @@ -40682,8 +40691,7 @@ Pointer to '_Experiment.Name' - + Pointer to '_Method.ID' @@ -40850,7 +40858,8 @@ chemical shift constraints. nillable="true" type="xsd:string"> - + A name assigned to the save frame. @@ -40887,8 +40896,7 @@ contained in the saveframe. nillable="true" type="xsd:string"> - + A set of hydrogen chemical shift constraint data formatted as ASCII text. @@ -41044,7 +41052,8 @@ Items in the H_exch_protection_fact_experiment category provide pointers to the name="experiment_name" type="xsd:string"> - + Pointer to a saveframe of the category 'NMR_spectrometer_expt' @@ -41074,8 +41083,7 @@ Pointer to a saveframe of the category 'sample' - + Physical state of the sample either anisotropic or isotropic. @@ -41232,7 +41240,8 @@ Pointer to '_Atom.Assembly_atom_ID' - + Pointer to '_Chem_comp_atom.Atom_ID' @@ -41284,8 +41293,7 @@ HB1 nillable="true" type="xsd:string"> - + An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. @@ -41406,7 +41414,8 @@ Pointer to '_Entity_poly_seq.Num' - + Hydrogen exchange protection factor value @@ -41448,8 +41457,7 @@ Pointer to '_H_exch_protection_factor_list.ID' - + Unique identifier for the observed hydrogen exchange protection factor. @@ -41608,7 +41616,8 @@ tag. - + Pointer to '_Entry.ID' @@ -41668,8 +41677,7 @@ Pointer to '_Chem_comp_atom.Atom_ID' nillable="true" type="xsd:int"> - + The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. @@ -41803,7 +41811,8 @@ Pointer to '_Entity.ID' name="resonance_id" type="xsd:int"> - + Pointer to '_Resonance.ID' @@ -41893,8 +41902,7 @@ Pointer to '_H_exch_rate_list.ID' - + Unique identifier for the observed hydrogen exchange rate. @@ -41979,7 +41987,8 @@ Pointer to '_Entry.ID' - + Pointer to '_Experiment.ID' @@ -42093,8 +42102,7 @@ contained in the saveframe. nillable="true" type="xsd:string"> - + A set of hydrogen exchange rate data formatted as ASCII text. @@ -42186,7 +42194,8 @@ Pointer to '_Method.ID' nillable="true" type="xsd:string"> - + Pointer to a saveframe of the category 'method' @@ -42305,8 +42314,7 @@ H nillable="true" type="xsd:int"> - + The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. @@ -42377,7 +42385,8 @@ N nillable="true" type="xsd:string"> - + An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. @@ -42513,8 +42522,7 @@ LYS name="comp_index_id_1" type="xsd:int"> - + Pointer to '_Entity_comp_index.ID' @@ -42597,7 +42605,8 @@ Pointer to '_Entity.ID' name="resonance_id_1" type="xsd:int"> - + Pointer to '_Resonance.ID' @@ -42684,8 +42693,7 @@ Pointer to '_Heteronucl_NOE_list.ID' - + Unique identifier for the reported heteronuclear NOE value in this set of heteronuclear NOE values. @@ -42785,7 +42793,8 @@ Pointer to '_Entry.ID' - + Pointer to '_Experiment.ID' @@ -42928,8 +42937,7 @@ sample_conditions_1 name="sf_category" type="xsd:string"> - + Category definition for the information content of the saveframe @@ -42993,7 +43001,8 @@ in the text block that is the value to the '_Heteronucl_NOE_list.Text_data' tag. - + Pointer to '_Entry.ID' @@ -43188,7 +43197,8 @@ Pointer to '_Experiment.ID' - + Pointer to '_Heteronucl_T1_list.ID' @@ -43292,8 +43302,7 @@ contained in the saveframe. name="spectrometer_frequency_1h" type="xsd:decimal"> - + The operating proton frequency in MHz of the NMR spectrometer used to collect the data. @@ -43407,7 +43416,8 @@ Items in the heteronucl_T1_software category provide pointers to the software ca - + Pointer to '_Method.ID' @@ -43499,8 +43509,7 @@ Pointer to a saveframe of the category 'NMR_spectrometer_expt' - + Pointer to '_Sample.ID' @@ -43599,7 +43608,8 @@ Text describing the reported heteronuclear Trho relaxation data. nillable="true" type="xsd:string"> - + A name assigned to the save frame. @@ -43688,8 +43698,7 @@ the data. - + A code describing the nuclei involved in the measured T1rho coherence. @@ -43801,7 +43810,8 @@ Pointer to '_Entry.ID' - + An integer value that uniquely identifies this saveframe of heteronuclear T1rho data from other saveframes of this category in an entry. @@ -43911,8 +43921,7 @@ Items in the heteronucl_T2_experiment category provide pointers to the NMR exper name="experiment_name" type="xsd:string"> - + Pointer to a saveframe of the category 'NMR_spectrometer_expt' @@ -44007,7 +44016,8 @@ Items in the heteronucl_T2_list category provide information about a list of rep nillable="true" type="xsd:string"> - + Text describing the reported heteronuclear T2 relaxation data. @@ -44097,8 +44107,7 @@ contained in the saveframe. name="spectrometer_frequency_1h" type="xsd:decimal"> - + The operating proton frequency in MHz of the NMR spectrometer used to collect the data. @@ -44213,7 +44222,8 @@ tag. - + Pointer to '_Entry.ID' @@ -44327,8 +44337,7 @@ category description not available - + Pointer to '_Method.ID' @@ -44495,7 +44504,8 @@ The software version designation. - + Pointer to '_Entry.ID' @@ -44595,8 +44605,7 @@ Pointer to '_Chem_comp_atom.Atom_ID' nillable="true" type="xsd:int"> - + The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. @@ -44679,7 +44688,8 @@ HB1 nillable="true" type="xsd:string"> - + An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. @@ -44807,8 +44817,7 @@ Pointer to '_Entity_comp_index.ID' name="comp_index_id_2" type="xsd:int"> - + Pointer to '_Entity_comp_index.ID' @@ -44867,7 +44876,8 @@ Pointer to '_Entity.ID' name="resonance_id_1" type="xsd:int"> - + Pointer to '_Resonance.ID' @@ -44976,8 +44986,7 @@ Pointer to '_Homonucl_NOE_list.ID' - + Unique identifier for the observed homonuclear NOE. @@ -45040,7 +45049,8 @@ Pointer to a saveframe of the category 'sample' nillable="true" type="xsd:string"> - + Physical state of the sample either anisotropic or isotropic. @@ -45198,8 +45208,7 @@ NOE data reported. name="sf_category" type="xsd:string"> - + Category definition for the information content of the saveframe @@ -45237,7 +45246,8 @@ A set of homonuclear NOE data formatted as ASCII text. nillable="true" type="xsd:string"> - + The data format used to represent the homonuclear NOE data as ASCII text in the text block that is the value to the '_Homonucl_NOE_list.Text_data' tag. @@ -45395,8 +45405,7 @@ Pointer to '_Chem_comp_atom.Atom_ID' - + Pointer to '_Chem_comp_atom.Atom_ID' @@ -45422,7 +45431,8 @@ The value for this tag is a standard IUPAC abbreviation for an element nillable="true" type="xsd:string"> - + The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). @@ -45586,8 +45596,7 @@ Pointer to '_Chem_comp.ID' - + Pointer to '_Chem_comp.ID' @@ -45610,7 +45619,8 @@ Pointer to '_Entity_comp_index.ID' name="comp_index_id_2" type="xsd:int"> - + Pointer to '_Entity_comp_index.ID' @@ -45755,8 +45765,7 @@ NOT AVAILABLE nillable="true" type="xsd:string"> - + ? @@ -45793,7 +45802,8 @@ A name assigned to the save frame. nillable="true" type="xsd:string"> - + ? @@ -45952,8 +45962,7 @@ DPN nillable="true" type="xsd:string"> - + An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental @@ -46009,7 +46018,8 @@ in the molecular assembly. - + Pointer to '_Chem_comp.ID' @@ -46147,8 +46157,7 @@ Pointer to '_Sample.ID' name="label_sample_id_2" type="xsd:int"> - + Pointer to '_Sample.ID' @@ -46180,7 +46189,8 @@ Pointer to '_Resonance.ID' - + Pointer to '_Entity_poly_seq.Num' @@ -46334,8 +46344,7 @@ Items in the isotope_effect_software category provide pointers to the software c - + Pointer to '_Method.ID' @@ -46372,7 +46381,8 @@ Pointer to a saveframe of the category 'software' type="xsd:int" use="required"> - + Pointer to '_Chem_shift_isotope_effect_list.ID' @@ -46530,8 +46540,7 @@ to the value for Seq_ID or Comp_index_ID. - + Pointer to '_Chem_comp.ID' @@ -46563,7 +46572,8 @@ Pointer to '_Entity_assembly.ID' - + Pointer to '_Entity.ID' @@ -46693,8 +46703,7 @@ Pointer to '_Chem_comp_atom.Atom_ID' - + Pointer to '_Chem_comp_atom.Atom_ID' @@ -46738,7 +46747,8 @@ Standard symbol used to define the atom element type. name="atom_type_3" type="xsd:string"> - + Standard symbol used to define the atom element type. @@ -46878,8 +46888,7 @@ HB1 nillable="true" type="xsd:string"> - + An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. @@ -46942,7 +46951,8 @@ DPN nillable="true" type="xsd:int"> - + An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental @@ -47095,8 +47105,7 @@ Pointer to '_Chem_comp.ID' - + Pointer to '_Chem_comp.ID' @@ -47140,7 +47149,8 @@ Pointer to '_Entity_comp_index.ID' name="comp_index_id_3" type="xsd:int"> - + Pointer to '_Entity_comp_index.ID' @@ -47263,8 +47273,7 @@ Pointer to '_Entity_assembly.ID' name="entity_id_1" type="xsd:int"> - + Pointer to '_Entity.ID' @@ -47323,7 +47332,8 @@ Pointer to '_Resonance.ID' name="resonance_id_2" type="xsd:int"> - + Pointer to '_Resonance.ID' @@ -47413,8 +47423,7 @@ Pointer to '_Entry.ID' - + Unique identifier for the reported three bond scalar coupling constraint. @@ -47499,7 +47508,8 @@ Pointer to '_Sample.ID' nillable="true" type="xsd:string"> - + Pointer to a saveframe of the category 'sample' @@ -47617,8 +47627,7 @@ XPLOR nillable="true" type="xsd:string"> - + Text description providing additional information about the reported J three bond constraints. @@ -47703,7 +47712,8 @@ Pointer to '_Entry.ID' - + Unique identifier for the list of reported three bond scalar coupling constraints. @@ -47814,8 +47824,7 @@ Items in the Karplus_equation category define the Karplus equation used to conve name="citation_id" type="xsd:int"> - + Pointer to '_Citation.ID' @@ -48358,7 +48367,8 @@ molecular entity for the segment being described. name="entity_assembly_id" type="xsd:int"> - + Pointer to '_Entity_assembly.ID' @@ -48436,8 +48446,7 @@ Pointer to '_Entry.ID' - + A numeric identifier for the segment of a molecule for which a quality value is reported. @@ -48574,7 +48583,8 @@ listed in the entry. - + The type of mass spectrometer used. @@ -48686,8 +48696,7 @@ NOT AVAILABLE - + The name for the parameter taken from an enumerated list or provided by a depositor. @@ -48772,7 +48781,8 @@ The name of the component in the mass spectrometer. - + The type of component in the mass spectrometer @@ -48866,8 +48876,7 @@ Name for the mass reference compound. - + Pointer to '_Entry.ID' @@ -48972,7 +48981,8 @@ Pointer to '_Entry.ID' - + A value that uniquely identifies the mass reference compound from other mass reference compounds listed in the entry. @@ -49083,8 +49093,7 @@ Mass spectrometer list name="sf_category" type="xsd:string"> - + Category assigned to the information in the saveframe. @@ -49199,7 +49208,8 @@ The kind of ionization method used by the defined mass spectrometer. - + Name of the company or other entity that built the Mass spectrometer. @@ -49310,8 +49320,7 @@ Pointer to '_Entry.ID' - + Unique local identifier assigned to an NMR spectrometer. @@ -49429,7 +49438,8 @@ Pointer to a saveframe of the category computer. name="derivation_type" type="xsd:string"> - + The type of derivation used in the reported method. @@ -49527,8 +49537,7 @@ Items in the method_citation category provide pointers to the citations where th name="citation_label" type="xsd:string"> - + Pointer to a saveframe of the category citation. @@ -49624,7 +49633,8 @@ the value to the tag attribute Text in category Method. - + Pointer to '_Entry.ID' @@ -49713,8 +49723,7 @@ Name of the file that contains parameters required to execute the method. - + Pointer to '_Method.ID' @@ -49837,7 +49846,8 @@ Pointer to '_Chem_comp.ID' name="comp_index_id" type="xsd:int"> - + Pointer to '_Entity_comp_index.ID' @@ -49925,8 +49935,7 @@ Pointer to '_Experiment.Name' - + Pointer to '_Sample.ID' @@ -50017,7 +50026,8 @@ The intensity of the mass to charge ratio signal. - + A reported mass to charge ratio value. @@ -50126,8 +50136,7 @@ Text describing the reported MZ ratio values. nillable="true" type="xsd:string"> - + A name assigned to the save frame. @@ -50201,7 +50210,8 @@ A set of MZ ratio data formatted as ASCII text. name="text_data_format" nillable="true"> - + The data format used to represent the MZ ratio data as ASCII text in the text block that is the value to the '_MS_chromatogram_list.Text_data' tag. @@ -50303,8 +50313,7 @@ Unique identifier for the reported parameter value. - + Pointer to '_MS_chromatogram_list.ID' @@ -50382,7 +50391,8 @@ Pointer to '_MS_chromatogram_list.ID' - + Pointer to '_Software.ID' @@ -50494,8 +50504,7 @@ Pointer to '_Entry.ID' - + Unique identifier for each experiment listed. @@ -50602,7 +50611,8 @@ An integer value that uniquely identifies a parameter in the list. - + Pointer to '_MS_expt.ID' @@ -50694,8 +50704,7 @@ Pointer to '_MS_expt.ID' - + Pointer to '_Software.ID' @@ -50795,7 +50804,8 @@ The signal to noise ratio of the mass to charge signal. - + Pointer to '_Entry.ID' @@ -50893,8 +50903,7 @@ Pointer to '_Entry.ID' - + Unique identifier for the reported MZ ratio annotation. @@ -50976,7 +50985,8 @@ A reported mass to charge ratio value. nillable="true" type="xsd:decimal"> - + The error in the reported mass to charge ratio value. @@ -51082,8 +51092,7 @@ Pointer to '_Chem_comp.ID' name="comp_index_id" type="xsd:int"> - + Pointer to '_Entity_comp_index.ID' @@ -51158,7 +51167,8 @@ NOT AVAILABLE nillable="true" type="xsd:string"> - + Text describing the reported MZ ratio values. @@ -51270,8 +51280,7 @@ Pointer to '_Sample_condition_list.ID' name="sample_condition_list_label" type="xsd:string"> - + The label for the set of experimental sample conditions used to collect the data for determination of the MZ ratio values. @@ -51342,7 +51351,8 @@ Pointer to '_Entry.ID' - + Unique identifier for the list of reported mass spectral MZ values. @@ -51459,8 +51469,7 @@ Pointer to '_Method.ID' nillable="true" type="xsd:string"> - + Pointer to a saveframe of the category 'method' @@ -51540,7 +51549,8 @@ The name given the parameter nillable="true" type="xsd:string"> - + The units used for the value of the parameter. @@ -51641,8 +51651,7 @@ Pointer to '_Entity.ID' name="entity_label" type="xsd:string"> - + Pointer to a saveframe of the category 'entity' @@ -51719,7 +51728,8 @@ TAIR - + Pointer to '_Entity_natural_src.ID' @@ -51832,8 +51842,7 @@ Items in the NMR_experiment_file category define the electronic files used to ca nillable="true" type="xsd:string"> - + How the bytes (usually 4, but sometimes 3, for example on AM spectrometers) are arranged. Depends on the computer platform employed. @@ -51927,7 +51936,8 @@ Size in bytes of the record header within the NMR experiment file. nillable="true" type="xsd:int"> - + Size in bytes of the record trailer within the NMR experiment file. @@ -52151,7 +52161,8 @@ A text description of the experiment. - + Pointer to '_Method.ID' @@ -52163,8 +52174,7 @@ Pointer to '_Method.ID' nillable="true" type="xsd:string"> - + Pointer to a saveframe of the category 'method' @@ -53258,7 +53268,8 @@ Bruker - + The name or acronym used to describe the model of the spectrometer. @@ -53272,8 +53283,7 @@ DMX nillable="true" type="xsd:string"> - + Unique code assigned to a specific spectrometer by the manufacturer. @@ -53441,7 +53451,8 @@ or any of its related tags. - + The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). @@ -53454,8 +53465,7 @@ The value for this tag is a standard IUPAC abbreviation for an element nillable="true" type="xsd:string"> - + An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. @@ -53818,7 +53828,8 @@ The estimated error in the fitted effective correlation time value. nillable="true" type="xsd:decimal"> - + The value for the fitted effective correlation time value for the 'slow' motion in the molecule. @@ -53831,8 +53842,7 @@ motion in the molecule. nillable="true" type="xsd:decimal"> - + The estimated error in the fitted effective correlation time value for the the 'slow' motion in the molecule. @@ -54013,7 +54023,8 @@ A name assigned to the save frame. nillable="true" type="xsd:string"> - + 1H spectrometer field strength at which Rex values have been measured. @@ -54026,8 +54037,7 @@ A name assigned to the save frame. name="rex_val_units" nillable="true"> - + The units for the reported R exchange values. @@ -54241,7 +54251,8 @@ Pointer to '_Method.ID' nillable="true" type="xsd:string"> - + Pointer to a saveframe of the category 'method' @@ -54262,8 +54273,7 @@ Pointer to a saveframe of the category 'software' - + Pointer to '_Entry.ID' @@ -54446,7 +54456,8 @@ Pointer to '_Method.ID' nillable="true" type="xsd:string"> - + Pointer to a saveframe of the category 'method' @@ -54467,8 +54478,7 @@ Pointer to '_Sample.ID' nillable="true" type="xsd:string"> - + Pointer to a saveframe of the category 'sample' @@ -54626,7 +54636,8 @@ Name of the file that contains the 'other' constraints. nillable="true" type="xsd:string"> - + A name assigned to the save frame. @@ -54649,8 +54660,7 @@ Category definition for the information content of the saveframe name="sf_framecode" type="xsd:string"> - + A label for the saveframe that describes in very brief terms the information contained in the saveframe. @@ -54820,7 +54830,8 @@ Items in the other_data category describe the values for kinds of experimental d name="assembly_atom_id" type="xsd:int"> - + Pointer to '_Atom.Assembly_atom_ID' @@ -54841,8 +54852,7 @@ Pointer to '_Chem_comp_atom.Atom_ID' nillable="true" type="xsd:int"> - + The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. @@ -54990,7 +55000,8 @@ Pointer to '_Entity_poly_seq.Num' - + Value obtained for the kind of data observed. @@ -55021,8 +55032,7 @@ Pointer to '_Entry.ID' - + A unique identifier for a reported new data value. @@ -55186,7 +55196,8 @@ Pointer to a saveframe of the category 'software' - + Pointer to '_Entry.ID' @@ -55203,8 +55214,7 @@ Pointer to '_Other_data_type_list.ID' - + Pointer to '_Software.ID' @@ -55376,7 +55386,8 @@ Items in the other_struct_feature category define the type of structure feature nillable="true" type="xsd:string"> - + An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. @@ -55401,8 +55412,7 @@ Code used to define the type of structure feature. name="entity_assembly_id" type="xsd:int"> - + Pointer to '_Entity_assembly.ID' @@ -55558,7 +55568,8 @@ Author provided definition for the reported structural feature. name="struct_feature_name" type="xsd:string"> - + Author defined name for the reported structural feature. @@ -56093,8 +56104,7 @@ NOT AVAILABLE nillable="true" type="xsd:string"> - + The supporting evidence for this feature. @@ -56226,7 +56236,8 @@ Pointer to '_Entity_comp_index.ID' - + Pointer to '_Entity.ID' @@ -56273,8 +56284,7 @@ PDB residue name. nillable="true" type="xsd:string"> - + PDB residue number. @@ -56399,7 +56409,8 @@ Pointer to a saveframe of the category chem_comp. nillable="true" type="xsd:int"> - + Pointer to '_Entity.ID' @@ -56467,8 +56478,7 @@ PDB insertion code. nillable="true" type="xsd:string"> - + PDB residue name. @@ -56590,7 +56600,8 @@ that the peak listed represents a real piece of data. - + Yes or no is this peak related to a constraint used to determine the three dimensional structure of the molecular system. @@ -56684,8 +56695,7 @@ in chemical shift centered on the peak chemical shift. nillable="true" type="xsd:decimal"> - + The upper chemical shift value in the defined spectral dimension for a bounding box used to define the region of the NMR spectrum that contains the observed @@ -56810,7 +56820,8 @@ Text describing the characteristics for an observed peak. nillable="true" type="xsd:decimal"> - + Line width val @@ -56885,8 +56896,7 @@ Pointer to '_Spectral_dim.ID' - + Pointer to '_Spectral_peak_list.ID' @@ -56987,7 +56997,8 @@ A pointer to the unique ID for the save frame of category 'spectral_peak_list'. - + The category for the spectral peak list. This value is the same for all spectral peak list save frames. @@ -57091,8 +57102,7 @@ Category definition for the information content of the saveframe name="sf_framecode" type="xsd:string"> - + A label for the saveframe that describes in very brief terms the information contained in the saveframe. @@ -57193,7 +57203,8 @@ Value for the intensity of the peak. - + Pointer to '_Peak.ID' @@ -57395,7 +57406,8 @@ Pointer to '_Chem_comp_atom.Atom_ID' - + Pointer to '_Chem_comp_atom.Atom_ID' @@ -57403,8 +57415,7 @@ Pointer to '_Chem_comp_atom.Atom_ID' - + Pointer to '_Chem_comp_atom.Atom_ID' @@ -57542,7 +57553,8 @@ Text providing additional information regarding the spectral peak. name="entity_assembly_id_1" type="xsd:int"> - + Pointer to '_Entity_assembly.ID' @@ -57553,8 +57565,7 @@ Pointer to '_Entity_assembly.ID' name="entity_assembly_id_2" type="xsd:int"> - + Pointer to '_Entity_assembly.ID' @@ -57711,7 +57722,8 @@ that the peak listed represents a real piece of data. nillable="true" type="xsd:decimal"> - + Peak chemical shift value for this dimension in the spectrum @@ -57723,8 +57735,7 @@ Peak chemical shift value for this dimension in the spectrum nillable="true" type="xsd:decimal"> - + Peak chemical shift value for this dimension in the spectrum @@ -57875,7 +57886,8 @@ Pointer to '_Entity_poly_seq.Num' nillable="true" type="xsd:decimal"> - + ? @@ -57887,8 +57899,7 @@ Pointer to '_Entity_poly_seq.Num' nillable="true" type="xsd:decimal"> - + ? @@ -58274,8 +58285,7 @@ HB1 nillable="true" type="xsd:string"> - + An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. @@ -58290,7 +58300,8 @@ DPN nillable="true" type="xsd:string"> - + An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental @@ -58481,8 +58492,7 @@ need to correspond to the value for Entity_assembly_ID. nillable="true" type="xsd:string"> - + An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. @@ -58498,7 +58508,8 @@ to the value for Seq_ID or Comp_index_ID. name="atm_titr_comp_id" type="xsd:string"> - + Pointer to '_Chem_comp.ID' @@ -58664,8 +58675,7 @@ Estimated error in the fitted pHmid value. nillable="true" type="xsd:decimal"> - + pKa value estimated from a fit of a pH titration data set. @@ -58677,7 +58687,8 @@ pKa value estimated from a fit of a pH titration data set. nillable="true" type="xsd:decimal"> - + Estimated error in the pKa value. @@ -58863,8 +58874,7 @@ chemical shift; peak height nillable="true" type="xsd:string"> - + A name assigned to the save frame. @@ -58875,7 +58885,8 @@ A name assigned to the save frame. name="sample_condition_list_id" type="xsd:int"> - + Pointer to '_Sample_condition_list.ID' @@ -59037,8 +59048,7 @@ Pointer to '_PH_titration_list.ID' - + Pointer to '_Software.ID' @@ -59066,7 +59076,8 @@ Items in the RDC category describe the residual dipolar coupling values assigned nillable="true" type="xsd:string"> - + A code indicating ambiguity that may exist in the assignment of the atom to the residual dipolar coupling constant. @@ -59235,8 +59246,7 @@ DPN nillable="true" type="xsd:string"> - + An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. @@ -59251,7 +59261,8 @@ DPN nillable="true" type="xsd:string"> - + An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental @@ -59417,8 +59428,7 @@ dipolar coupling. name="resonance_id_1" type="xsd:int"> - + Pointer to '_Resonance.ID' @@ -59429,7 +59439,8 @@ Pointer to '_Resonance.ID' name="resonance_id_2" type="xsd:int"> - + Pointer to '_Resonance.ID' @@ -59591,8 +59602,7 @@ Pointer to '_Atom.Assembly_atom_ID' - + Pointer to '_Chem_comp_atom.Atom_ID' @@ -59600,7 +59610,8 @@ Pointer to '_Chem_comp_atom.Atom_ID' - + Pointer to '_Chem_comp_atom.Atom_ID' @@ -59774,8 +59785,7 @@ Author's atom name. nillable="true" type="xsd:string"> - + Author assigned chain ID @@ -59789,7 +59799,8 @@ A nillable="true" type="xsd:string"> - + Author assigned chain ID @@ -59974,8 +59985,7 @@ Pointer to '_Entity_assembly.ID' name="entity_assembly_id_2" type="xsd:int"> - + Pointer to '_Entity_assembly.ID' @@ -59986,7 +59996,8 @@ Pointer to '_Entity_assembly.ID' name="entity_id_1" type="xsd:int"> - + Pointer to '_Entity.ID' @@ -60167,8 +60178,7 @@ TYR nillable="true" type="xsd:string"> - + PDB residue number. @@ -60182,7 +60192,8 @@ PDB residue number. nillable="true" type="xsd:string"> - + PDB residue number. @@ -60355,8 +60366,7 @@ Pointer to '_Resonance.ID' name="resonance_id_2" type="xsd:int"> - + Pointer to '_Resonance.ID' @@ -60373,7 +60383,8 @@ Pointer to '_Entity_poly_seq.Num' - + Pointer to '_Entity_poly_seq.Num' @@ -60535,8 +60546,7 @@ The line in the RDC constraint file where the comment ends. name="comment_text" type="xsd:string"> - + The text of the comment parsed from the RDC constraint file. @@ -60554,7 +60564,8 @@ Pointer to '_Entry.ID' - + An integer value that uniquely identifies the comment extracted from the distance constraint file. @@ -60718,8 +60729,7 @@ Pointer to a saveframe of the category 'method' - + Pointer to '_Sample.ID' @@ -60757,7 +60767,8 @@ Physical state of the sample either anisotropic or isotropic. - + Pointer to '_Entry.ID' @@ -60931,8 +60942,7 @@ dipolar coupling constraints. nillable="true" type="xsd:string"> - + Method used to calibrate the values for the residual dipolar coupling constraints. @@ -60974,7 +60984,8 @@ is the axial symmetric component of the alignment tensor (1/3(Azz-(Axx+Ayy)/2). nillable="true" type="xsd:decimal"> - + The residual dipolar coupling provides geometric information relative to a common alignment frame. The value for the item Mol_align_tensor_rhombic_mol @@ -61147,8 +61158,7 @@ Pointer to '_Entity_assembly.ID' nillable="true" type="xsd:decimal"> - + The magnitude orientational parameter for the tensor. @@ -61186,7 +61196,8 @@ Pointer to '_Entity_poly_seq.Num' nillable="true" type="xsd:string"> - + A set of residual dipolar coupling data formatted as ASCII text. @@ -61326,8 +61337,7 @@ the RDC constaint file. - + Pointer to '_RDC_constraint_list.ID' @@ -61373,7 +61383,8 @@ Pointer to '_Entry.ID' - + An integer that uniquely defines the file from other files in the list. @@ -61537,8 +61548,7 @@ Physical state of the sample either anisotropic or isotropic. - + Pointer to '_Entry.ID' @@ -61555,7 +61565,8 @@ Pointer to '_Experiment.ID' - + Pointer to '_RDC_list.ID' @@ -61752,8 +61763,7 @@ the data for determination of the residual dipolar coupling values. name="sf_category" type="xsd:string"> - + Category definition for the information content of the saveframe @@ -61777,7 +61787,8 @@ contained in the saveframe. name="spectrometer_frequency_1h" type="xsd:decimal"> - + The operating proton frequency in MHz of the NMR spectrometer used to collect the data. @@ -61941,8 +61952,7 @@ Atomic nucleus targeted by the recoupling pulse sequence. - + Type of recoupling pulse sequence (homonuclear or heteronuclear). @@ -61960,7 +61970,8 @@ Pointer to '_Entry.ID' - + Name for a solid-state recoupling pulse sequence. @@ -62163,8 +62174,7 @@ the tiem of release. nillable="true" type="xsd:date"> - + Date the entry or an update to the entry was submitted to BMRB. @@ -62195,7 +62205,8 @@ original - + Pointer to '_Entry.ID' @@ -62359,8 +62370,7 @@ A value for the overall uncertainty in the reported atom coordinates. name="atom_site_id" type="xsd:int"> - + Pointer to '_Atom_site.ID' @@ -62398,7 +62408,8 @@ HB1 nillable="true" type="xsd:string"> - + An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. @@ -62531,8 +62542,7 @@ Pointer to '_Entry.ID' type="xsd:int" use="required"> - + Pointer to '_Representative_conformer.ID' @@ -62580,7 +62590,8 @@ Pointer to '_Entry.ID' - + The method used to determine the structure. @@ -62741,8 +62752,7 @@ An integer value that uniquely identifies the listed footnote. type="xsd:int" use="required"> - + Pointer to '_Representative_conformer.ID' @@ -62796,7 +62806,8 @@ Pointer to '_Conformer_family_coord_set.ID' name="conformer_family_coord_set_label" type="xsd:string"> - + Pointer to a saveframe of the type conformer_family_coord_set. @@ -62967,8 +62978,7 @@ Items in the resonance category provide the parent resonance ID value and links nillable="true" type="xsd:string"> - + Name for the specified resonance @@ -63003,7 +63013,8 @@ Pointer to '_Spin_system.ID' - + Pointer to '_Entry.ID' @@ -63134,8 +63145,7 @@ Pointer to '_Entity_comp_index.ID' - + Pointer to '_Entity_assembly.ID' @@ -63186,7 +63196,8 @@ category description not available - + Pointer to '_Entry.ID' @@ -63348,8 +63359,7 @@ in category _Sample_component. nillable="true" type="xsd:string"> - + Apparatus used to grow the crystals @@ -63508,7 +63518,8 @@ Temperature used to grw the crystals. nillable="true" type="xsd:string"> - + Text providing additional information regarding the temperature used to grow the crystals. @@ -63534,8 +63545,7 @@ Estimated error in the reported temperature value used to grow the crystals. nillable="true" type="xsd:decimal"> - + The time required to grow the crystals. @@ -63696,7 +63706,8 @@ The solvent components of the sample. nillable="true" type="xsd:string"> - + Protocol used for storing sample. @@ -63757,8 +63768,7 @@ solution - + Pointer to '_Entry.ID' @@ -63927,7 +63937,8 @@ the maximal value. nillable="true" type="xsd:decimal"> - + If entering a range for the concentration of the component provide the minimal value. @@ -63997,8 +64008,7 @@ Pointer to '_Entity.ID' nillable="true" type="xsd:string"> - + Pointer to a saveframe of the category entity. @@ -64173,7 +64183,8 @@ Pointer to '_Atom.Assembly_atom_ID' - + Standard symbol used to define the atom element type. @@ -64199,8 +64210,7 @@ in order to match that used in the publication that describes the experimental d nillable="true" type="xsd:string"> - + An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. @@ -64344,7 +64354,8 @@ of neutrons in the nucleus). - + Pointer to '_Entity_comp_index.ID' @@ -64361,8 +64372,7 @@ Pointer to '_Entity.ID' - + Pointer to '_Entry.ID' @@ -64534,7 +64544,8 @@ Pointer to '_Entry.ID' - + A value that uniquely identifies the set of sample conditions from other sample @@ -64580,8 +64591,7 @@ Value for the variable (temperature pressure pH). Units will be listed below. nillable="true" type="xsd:string"> - + Estimate the standard error on the value for the sample condition. @@ -64790,7 +64800,8 @@ NOT AVAILABLE name="experiment_name" type="xsd:string"> - + Pointer to '_Experiment.Name' @@ -64811,8 +64822,7 @@ Pointer to a saveframe of the category 'sample' - + Pointer to '_Entry.ID' @@ -64968,7 +64978,8 @@ block that is the value to the '_SAXS_constraint_list.Text_data' tag. - + Pointer to '_Entry.ID' @@ -65002,8 +65013,7 @@ NOT AVAILABLE - + Pointer to '_Method.ID' @@ -65170,7 +65180,8 @@ Category assigned to the information in the saveframe. name="sf_framecode" type="xsd:string"> - + A label that uniquely identifies the SAXS experiment from other SAXS experiments listed in the entry. @@ -65182,8 +65193,7 @@ listed in the entry. name="software_id" type="xsd:int"> - + Pointer to '_Software.ID' @@ -65367,7 +65377,8 @@ Pointer to a saveframe of the category 'conformer_family' nillable="true" type="xsd:string"> - + Text providing additional information concerning the reported secondary structure element. @@ -65388,8 +65399,7 @@ Pointer to '_Entity_assembly.ID' - + Pointer to '_Entity.ID' @@ -65548,7 +65558,8 @@ contained in the saveframe. - + Pointer to '_Entry.ID' @@ -65588,8 +65599,7 @@ Items in the secondary_struct_sel category provide pointers to the methods used name="method_label" type="xsd:string"> - + Pointer to a saveframe of the category 'method' @@ -65805,7 +65815,8 @@ The name of the software defined by the author or provider of the software. name="sf_category" type="xsd:string"> - + Category assigned to the information in the saveframe. @@ -65845,8 +65856,7 @@ A value that attempts to classify software applications. nillable="true" type="xsd:string"> - + The code assigned to the version of the software. @@ -66010,7 +66020,8 @@ A name assigned to the save frame. name="sf_category" type="xsd:string"> - + Category definition for the information content of the saveframe @@ -66041,8 +66052,7 @@ Pointer to '_Entry.ID' - + Unique identifier for the saveframe containing the software list used to derive data. @@ -66286,7 +66296,8 @@ Items in the software_citation category provide links to the citations category name="citation_label" type="xsd:string"> - + Pointer to a saveframe of the category citation. @@ -66342,8 +66353,7 @@ category description not available name="software_saveframe" type="xsd:string"> - + A saveframe from a software generated file that contains software specific information. @@ -66489,7 +66499,8 @@ in the list. - + For a specified acquisition dimension the type of nucleus and its isotope detected in the experiment. @@ -66547,8 +66558,7 @@ The unit description that applies to the reported parameter value. - + Pointer to '_Entry.ID' @@ -66703,7 +66713,8 @@ to the value for Seq_ID or Comp_index_ID. - + Pointer to '_Chem_comp.ID' @@ -66747,8 +66758,7 @@ Pointer to '_Entity.ID' name="resonance_id" type="xsd:int"> - + Pointer to '_Resonance.ID' @@ -66870,7 +66880,8 @@ W zero val err - + Pointer to '_Entry.ID' @@ -66927,8 +66938,7 @@ Pointer to a saveframe of the category 'NMR_spectrometer_expt' - + Pointer to '_Sample.ID' @@ -67064,7 +67074,8 @@ the data for determination of the spectral density values. name="sf_category" type="xsd:string"> - + Category definition for the information content of the saveframe @@ -67196,8 +67207,7 @@ Pointer to '_Entry.ID' - + Pointer to '_Software.ID' @@ -67267,7 +67277,8 @@ Items in the spectral_dim category describe the parameters of each dimension in name="atom_isotope_number" type="xsd:int"> - + The mass number for the specified atom. @@ -67426,8 +67437,7 @@ aliased nillable="true" type="xsd:decimal"> - + ? @@ -67469,7 +67479,8 @@ spectrum. - + Pointer to '_Spectral_peak_list.ID' @@ -67637,8 +67648,7 @@ Items in the spectral_peak_list category provide information about a list of rep nillable="true" type="xsd:string"> - + Text describing the reported list of spectral peaks. @@ -67690,7 +67700,8 @@ Pointer to a saveframe of the category 'NMR_spectrometer_expt' name="experiment_type" nillable="true"> - + ? @@ -67817,8 +67828,7 @@ A set of spectral peak data formatted as ASCII text. nillable="true" type="xsd:string"> - + The data format used to represent the spectral peak data as ASCII text in the text block that is the value to the '_Spectral_peak_list.Text_data' tag. @@ -67876,7 +67886,8 @@ Pointer to '_Method.ID' nillable="true" type="xsd:string"> - + Pointer to a saveframe of the category 'method' @@ -68025,8 +68036,7 @@ current operation. nillable="true" type="xsd:int"> - + The spectral dimension in which the processing parameter was applied. @@ -68070,7 +68080,8 @@ The units for the paramerter value. - + Pointer to '_Entry.ID' @@ -68233,8 +68244,7 @@ spectral transition. nillable="true" type="xsd:decimal"> - + Range value for a bounding box used to define the region of a NMR spectrum where an observed spectral transition is located, when the bounding box is defined @@ -68274,7 +68284,8 @@ Chem shift val err nillable="true" type="xsd:decimal"> - + Decay rate val @@ -68433,8 +68444,7 @@ NOT AVAILABLE nillable="true" type="xsd:decimal"> - + Error in the value for the intensity of the peak. @@ -68469,7 +68479,8 @@ height nillable="true" type="xsd:int"> - + Pointer to '_Peak.ID' @@ -68637,8 +68648,7 @@ then the offset is -1. nillable="true" type="xsd:string"> - + Boolean flag that defines if the described link is selected as the correct link in an assignment process. @@ -68647,7 +68657,8 @@ link in an assignment process. - + The type of link between the from and to spin system. @@ -68819,8 +68830,7 @@ Hydrophobicity value for the residue. nillable="true" type="xsd:string"> - + PDB strand ID taken from the PDB file @@ -68832,7 +68842,8 @@ PDB strand ID taken from the PDB file nillable="true" type="xsd:decimal"> - + Value for the phi torsion angle calculated from the atomic coordinates. @@ -69008,8 +69019,7 @@ Data items in the struct_asym category record details about the structural eleme nillable="true" type="xsd:string"> - + A description of special aspects of this portion of the contents of the asymmetric unit. @@ -69018,7 +69028,8 @@ asymmetric unit. - + Pointer to '_Entity.ID' @@ -69454,8 +69465,7 @@ their data to the public. nillable="true" type="xsd:string"> - + Designation used by the external database for releases of the data. @@ -69467,7 +69477,8 @@ Designation used by the external database for releases of the data. nillable="true" type="xsd:string"> - + Additional details about the structure annotation contained in the save frame. @@ -69650,8 +69661,7 @@ HB1 nillable="true" type="xsd:string"> - + An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. @@ -69666,7 +69676,8 @@ HB1 nillable="true" type="xsd:string"> - + An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. @@ -70263,7 +70274,8 @@ NMR structure - + Pointer to '_Study.ID' @@ -70273,8 +70285,7 @@ Pointer to '_Study.ID' - + Pointer to '_Study_list.ID' @@ -70482,7 +70493,8 @@ Pointer to '_Assembly_subsystem.ID' - + Pointer to '_Entry.ID' @@ -70490,8 +70502,7 @@ Pointer to '_Entry.ID' - + A name commonly used in the literature to refer to this assembly subsystem. @@ -70685,7 +70696,8 @@ Pointer to '_Assembly_subsystem.ID' - + Abbreviation for the database @@ -70693,8 +70705,7 @@ Abbreviation for the database - + Pointer to '_Entry.ID' @@ -70899,7 +70910,8 @@ Pointer to '_Entry.ID' - + The kind of chemical shift offset that should be applied to all chemical shifts observed for a specific type of atom. @@ -70940,8 +70952,7 @@ Items in the T1 category capture T1 relaxation values for defined nuclei. name="assembly_atom_id" type="xsd:int"> - + Pointer to '_Atom.Assembly_atom_ID' @@ -71102,7 +71113,8 @@ Pointer to '_Resonance.ID' - + Pointer to '_Entity_poly_seq.Num' @@ -71123,8 +71135,7 @@ The T1 relaxation value. nillable="true" type="xsd:decimal"> - + The estimated error in the reported T1 relaxation value. @@ -71287,7 +71298,8 @@ to the value for Seq_ID or Comp_index_ID. - + Pointer to '_Chem_comp.ID' @@ -71310,8 +71322,7 @@ Pointer to '_Entity_comp_index.ID' name="entity_assembly_id" type="xsd:int"> - + Pointer to '_Entity_assembly.ID' @@ -71466,7 +71477,8 @@ Pointer to '_Chem_comp_atom.Atom_ID' nillable="true" type="xsd:int"> - + The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. @@ -71475,8 +71487,7 @@ or any of its related tags. - + The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). @@ -71640,7 +71651,8 @@ Pointer to '_Entity_poly_seq.Num' - + The T2 relaxation value. @@ -71652,8 +71664,7 @@ The T2 relaxation value. nillable="true" type="xsd:decimal"> - + The estimated error in the reported T2 relaxation value. @@ -71836,7 +71847,8 @@ Text providing additional information regarding a converion error. name="conv_error_type" type="xsd:string"> - + Type of constraint conversion error. @@ -71860,8 +71872,7 @@ error. name="parse_file_id" type="xsd:int"> - + Pointer to '_TA_constraint_parse_file.ID' @@ -72025,7 +72036,8 @@ Items in the TA_constraint_parse_file category define the files parsed to genera - + Name of the file from which the distance constraints were parsed. @@ -72054,8 +72066,7 @@ An integer that uniquely defines the file from other files in the list. type="xsd:int" use="required"> - + Pointer to '_Torsion_angle_constraint_list.ID' @@ -72227,7 +72238,8 @@ The value for this tag is a standard IUPAC abbreviation for an element nillable="true" type="xsd:string"> - + An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. @@ -72292,8 +72304,7 @@ to the value for Seq_ID or Comp_index_ID. nillable="true" type="xsd:decimal"> - + ? @@ -72424,7 +72435,8 @@ Pointer to '_Interatomic_dist.Set_ID' nillable="true" type="xsd:int"> - + Pointer to '_Interatomic_dist.Interatomic_distance_list_ID' @@ -72464,8 +72476,7 @@ component of the chemical shielding tensor. nillable="true" type="xsd:decimal"> - + By the standard convention, the value of the 3_3 element of the isotropic component of the chemical shielding tensor. @@ -72617,7 +72628,8 @@ The value for the 3_3 element of the reduceable chemical shielding tensor. - + Pointer to '_Entity_poly_seq.Num' @@ -72657,8 +72669,7 @@ chemical shielding tensor. nillable="true" type="xsd:decimal"> - + The value for the 1_3 element of the symmetric traceless component of the chemical shielding tensor. @@ -72822,7 +72833,8 @@ The type of isotropic value reported. name="matrix_val_units" nillable="true"> - + The units for the matrix values. @@ -72864,8 +72876,7 @@ The formula for the rhombic value. name="sf_category" type="xsd:string"> - + Category definition for the information content of the saveframe @@ -73020,7 +73031,8 @@ Pointer to '_Entity_comp_index.ID' - + Pointer to '_Entity.ID' @@ -73081,8 +73093,7 @@ Pointer to '_Atom.Assembly_atom_ID' nillable="true" type="xsd:string"> - + The value for this tag is a standard IUPAC abbreviation for a chemical element (i.e., H, C, P, etc). @@ -73222,7 +73233,8 @@ Pointer to '_Entity_poly_seq.Num' nillable="true" type="xsd:string"> - + A word or very brief phrase that defines a specific type of local region of a biopolymer's tertiary structure. @@ -73269,8 +73281,7 @@ HA - + Pointer to '_Entity_comp_index.ID' @@ -73423,7 +73434,8 @@ Items in the tertiary_struct_element_sel category provide pointers to the method nillable="true" type="xsd:string"> - + Name of the method used to select the chemical components of the system that make up the tertiary structural element. @@ -73490,8 +73502,7 @@ Items in the theoretical_auto_relaxation category capture theoretical auto relax name="assembly_atom_id" type="xsd:int"> - + Pointer to '_Atom.Assembly_atom_ID' @@ -73626,7 +73637,8 @@ The relaxation value. nillable="true" type="xsd:decimal"> - + The estimated error in the reported relaxation value. @@ -73667,8 +73679,7 @@ Pointer to '_Entity_assembly.ID' - + Pointer to '_Entity.ID' @@ -73797,7 +73808,8 @@ Pointer to '_Sample.ID' nillable="true" type="xsd:string"> - + Pointer to a saveframe of the category 'sample' @@ -73842,8 +73854,7 @@ Pointer to '_Experiment.ID' type="xsd:int" use="required"> - + Pointer to '_Theoretical_auto_relaxation_list.ID' @@ -74052,7 +74063,8 @@ the data for determination of the general relaxation values. name="sf_category" type="xsd:string"> - + Category definition for the information content of the saveframe @@ -74091,8 +74103,7 @@ the data. name="temp_calibration_method" nillable="true"> - + Method used to calibrate the temperature unit on the NMR spectrometer used to collect the experimental data. @@ -74282,7 +74293,8 @@ Items in the theoretical_chem_shift category describe the theoretical chemical s name="assembly_atom_id" type="xsd:int"> - + Pointer to '_Atom.Assembly_atom_ID' @@ -74303,8 +74315,7 @@ Pointer to '_Chem_comp_atom.Atom_ID' nillable="true" type="xsd:int"> - + The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. @@ -74457,7 +74468,8 @@ Fermi contact spin density - + Pointer to '_Entity_poly_seq.Num' @@ -74488,8 +74500,7 @@ Chem shift val err - + Pointer to '_Entry.ID' @@ -74643,7 +74654,8 @@ Pointer to the saveframe where the type of calculation carried out is described. nillable="true" type="xsd:string"> - + Text describing the reported theoretical chemical shifts. @@ -74694,8 +74706,7 @@ to calculate the theoretical chemical shifts are located. nillable="true" type="xsd:string"> - + A name assigned to the save frame. @@ -74706,8 +74717,7 @@ A name assigned to the save frame. name="sf_category" type="xsd:string"> - + Category definition for the information content of the saveframe @@ -74840,7 +74850,8 @@ groups like the glycine alpha protons and other methylene groups. nillable="true" type="xsd:string"> - + A code indicating the presence of ambiguity in the assignment of the atom to the coupling constant value. This type of ambiguity can arise for geminal @@ -74896,8 +74907,7 @@ Pointer to '_Chem_comp_atom.Atom_ID' nillable="true" type="xsd:int"> - + The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. @@ -75028,7 +75038,8 @@ need to correspond to the value for Entity_assembly_ID. nillable="true" type="xsd:string"> - + An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental @@ -75095,8 +75106,7 @@ Pointer to '_Chem_comp.ID' - + Pointer to '_Chem_comp.ID' @@ -75215,7 +75225,8 @@ Pointer to '_Resonance.ID' - + Pointer to '_Entity_poly_seq.Num' @@ -75262,8 +75273,7 @@ Estimated or measured error in the scalar coupling constant value. nillable="true" type="xsd:decimal"> - + Maximum estimated value for a scalar coupling constant when a specific value cannot be obtained. @@ -75395,7 +75405,8 @@ Pointer to '_Entry.ID' - + Pointer to '_Experiment.ID' @@ -75462,8 +75473,7 @@ A name assigned to the save frame. name="sample_condition_list_id" type="xsd:int"> - + Pointer to '_Sample_condition_list.ID' @@ -75633,7 +75643,8 @@ Pointer to a saveframe of the category method. nillable="true" type="xsd:string"> - + Pointer to a saveframe of the category software. @@ -75662,8 +75673,7 @@ Pointer to '_Software.ID' type="xsd:int" use="required"> - + Pointer to '_Theoretical_coupling_constant_list.ID' @@ -75828,7 +75838,8 @@ HB1 nillable="true" type="xsd:string"> - + An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. @@ -75875,8 +75886,7 @@ need to correspond to the value for Entity_assembly_ID. nillable="true" type="xsd:string"> - + An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental @@ -76022,7 +76032,8 @@ Pointer to '_Entity.ID' name="dipole_1_resonance_id_1" type="xsd:int"> - + Pointer to '_Resonance.ID' @@ -76057,8 +76068,7 @@ Pointer to '_Entity_poly_seq.Num' name="dipole_1_seq_id_2" type="xsd:int"> - + Pointer to '_Entity_poly_seq.Num' @@ -76204,7 +76214,8 @@ HB1 nillable="true" type="xsd:string"> - + An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. @@ -76251,8 +76262,7 @@ need to correspond to the value for Entity_assembly_ID. nillable="true" type="xsd:string"> - + An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental @@ -76398,7 +76408,8 @@ Pointer to '_Entity.ID' name="dipole_2_resonance_id_1" type="xsd:int"> - + Pointer to '_Resonance.ID' @@ -76548,8 +76559,7 @@ Pointer to a saveframe of the category 'sample' - + Physical state of the sample either anisotropic or isotropic. @@ -76574,7 +76584,8 @@ Pointer to '_Entry.ID' - + Pointer to '_Experiment.ID' @@ -76760,8 +76771,7 @@ Pointer to '_Entry.ID' - + Unique identifier for the list of cross-correlation values. @@ -76801,7 +76811,8 @@ Pointer to '_Method.ID' nillable="true" type="xsd:string"> - + Pointer to a saveframe of the category 'method' @@ -76965,8 +76976,7 @@ N name="atom_type_2" type="xsd:string"> - + Standard symbol used to define the atom element type. @@ -76996,7 +77006,8 @@ N nillable="true" type="xsd:string"> - + An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. @@ -77174,8 +77185,7 @@ Pointer to '_Entity_assembly.ID' name="entity_assembly_id_2" type="xsd:int"> - + Pointer to '_Entity_assembly.ID' @@ -77216,7 +77226,8 @@ Pointer to '_Entity.ID' name="resonance_id_1" type="xsd:int"> - + Pointer to '_Resonance.ID' @@ -77365,8 +77376,7 @@ Pointer to '_Sample.ID' nillable="true" type="xsd:string"> - + Pointer to a saveframe of the category 'sample' @@ -77406,7 +77416,8 @@ Pointer to '_Entry.ID' - + Pointer to '_Experiment.ID' @@ -77579,8 +77590,7 @@ contained in the saveframe. name="spectrometer_frequency_1h" type="xsd:decimal"> - + Operating frequency of the spectrometer used to collect the theoretical heteronuclear NOE data reported as the 1H frequency in MHz. @@ -77620,7 +77630,8 @@ tag. - + Pointer to '_Entry.ID' @@ -77786,8 +77797,7 @@ Pointer to a saveframe of the category 'sample' - + Physical state of the sample either anisotropic or isotropic. @@ -77855,7 +77865,8 @@ Items in the theoretical_heteronucl_T1_list category provide information about a nillable="true" type="xsd:string"> - + Text describing the reported theoretical heteronuclear T1 relaxation data. @@ -77996,8 +78007,7 @@ A set of theoretical heteronuclear T1 relaxation data formatted as ASCII text. nillable="true" type="xsd:string"> - + The data format used to represent the theoretical heteronuclear T1 relaxation data as ASCII text in the text block that is the value to the '_Theoretical_heteronucl_T1_list.Text_data' @@ -78059,7 +78069,8 @@ Pointer to '_Method.ID' nillable="true" type="xsd:string"> - + Pointer to a saveframe of the category 'method' @@ -78188,8 +78199,7 @@ Pointer to '_Entry.ID' - + Pointer to '_Experiment.ID' @@ -78253,7 +78263,8 @@ A name assigned to the save frame. - + The units used for the reported R exchange values. @@ -78427,8 +78438,7 @@ A set of theoretical heteronuclear T2 relaxation data formatted as ASCII text. nillable="true" type="xsd:string"> - + The data format used to represent the theoretical heteronuclear T2 relaxation data as ASCII text in the text block that is the value to the '_Theoretical_heteronucl_T2_list.Text_data' @@ -78490,7 +78500,8 @@ Pointer to '_Method.ID' nillable="true" type="xsd:string"> - + Pointer to a saveframe of the category 'method' @@ -78654,8 +78665,7 @@ need to correspond to the value for Entity_assembly_ID. nillable="true" type="xsd:string"> - + An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. @@ -78680,7 +78690,8 @@ Pointer to '_Chem_comp.ID' name="comp_index_id" type="xsd:int"> - + Pointer to '_Entity_comp_index.ID' @@ -78824,8 +78835,7 @@ Pointer to '_Chem_comp_atom.Atom_ID' nillable="true" type="xsd:int"> - + The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. @@ -78848,7 +78858,8 @@ The value for this tag is a standard IUPAC abbreviation for an element nillable="true" type="xsd:string"> - + An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. @@ -78998,8 +79009,7 @@ Pointer to '_Entity_poly_seq.Num' - + The T2 relaxation value. @@ -79021,7 +79031,8 @@ The estimated error in the reported T2 relaxation value. - + Pointer to '_Entry.ID' @@ -79165,8 +79176,7 @@ Standard symbol used to define the atom element type. name="atom_type_2" type="xsd:string"> - + Standard symbol used to define the atom element type. @@ -79189,7 +79199,8 @@ Standard symbol used to define the atom element type. name="atom_type_4" type="xsd:string"> - + Standard symbol used to define the atom element type. @@ -79320,8 +79331,7 @@ Pointer to a saveframe of the category 'chem_comp' name="comp_label_4" type="xsd:string"> - + Pointer to a saveframe of the category 'chem_comp' @@ -79344,7 +79354,8 @@ Pointer to '_Entity_assembly.ID' name="entity_assembly_id_2" type="xsd:int"> - + Pointer to '_Entity_assembly.ID' @@ -79481,8 +79492,7 @@ Pointer to '_Entity_poly_seq.Num' - + Pointer to '_Entity_poly_seq.Num' @@ -79499,7 +79509,8 @@ Pointer to '_Entity_poly_seq.Num' - + Pointer to '_Entity_poly_seq.Num' @@ -79657,8 +79668,7 @@ Pointer to '_Atom.Assembly_atom_ID' name="assembly_atom_id_2" type="xsd:int"> - + Pointer to '_Atom.Assembly_atom_ID' @@ -79681,7 +79691,8 @@ Pointer to '_Atom.Assembly_atom_ID' name="assembly_atom_id_4" type="xsd:int"> - + Pointer to '_Atom.Assembly_atom_ID' @@ -79829,8 +79840,7 @@ Author's alternate location identifier. nillable="true" type="xsd:string"> - + An alternative identifier for Asym_ID that may be provided by an author. @@ -79842,7 +79852,8 @@ An alternative identifier for Asym_ID that may be provided by an author. nillable="true" type="xsd:string"> - + An alternative identifier for Asym_ID that may be provided by an author. @@ -80041,8 +80052,7 @@ A nillable="true" type="xsd:string"> - + Author assigned chain ID @@ -80056,7 +80066,8 @@ A nillable="true" type="xsd:string"> - + An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. @@ -80845,8 +80856,7 @@ A nillable="true" type="xsd:string"> - + PDB strand id. @@ -81228,7 +81238,8 @@ Pointer to '_Entry.ID' - + Unique identifier for the list of torsion angle constraints. @@ -81268,8 +81279,7 @@ Pointer to '_Method.ID' nillable="true" type="xsd:string"> - + Pointer to a saveframe of the category 'method' @@ -81420,7 +81430,8 @@ Pointer to '_Entry.ID' - + Pointer to '_Experiment.ID' @@ -81472,8 +81483,7 @@ Location for the person or company who supplies the software. nillable="true" type="xsd:string"> - + An internet address for the vendor of the software. @@ -81617,7 +81627,8 @@ Unique code assigned to a specific X-ray instrument by the manufacturer. name="sf_category" type="xsd:string"> - + Category assigned to the information in the saveframe. @@ -81668,8 +81679,7 @@ The type of X-ray instrument uses. nillable="true" type="xsd:decimal"> - + The wavelength used.