NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type |
458329 | 2krc | cing | 2-parsed | STAR | dipolar coupling |
data_2krc_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2krc _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project" NMR . parsed_2krc 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2krc _Entry.Title "Original constraint list(s)" _Entry.Version_type original _Entry.Submission_date . _Entry.Accession_date . _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination . _Entry.NMR_STAR_version 3.1 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2krc "Master copy" parsed_2krc stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2krc _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 2krc.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2krc 1 1 2krc.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 130 parsed_2krc 1 1 2krc.mr . . XPLOR/CNS 3 distance NOE ambi 2340 parsed_2krc 1 1 2krc.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2krc 1 1 2krc.mr . . XPLOR/CNS 5 stereochemistry chirality "Not applicable" 0 parsed_2krc 1 1 2krc.mr . . PDB 6 coordinate "alignment tensor" "Not applicable" 0 parsed_2krc 1 1 2krc.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2krc 1 1 2krc.mr . . PDB 8 coordinate "alignment tensor" "Not applicable" 0 parsed_2krc 1 1 2krc.mr . . XPLOR/CNS 9 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2krc 1 1 2krc.mr . . "MR format" 10 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2krc 1 stop_ save_ save_CNS/XPLOR_dipolar_coupling_9 _RDC_constraint_list.Sf_category RDC_constraints _RDC_constraint_list.Entry_ID parsed_2krc _RDC_constraint_list.ID 1 _RDC_constraint_list.Constraint_file_ID 1 _RDC_constraint_list.Block_ID 9 _RDC_constraint_list.Details "Generated by Wattos" loop_ _RDC_constraint_comment_org.ID _RDC_constraint_comment_org.Comment_text _RDC_constraint_comment_org.Comment_begin_line _RDC_constraint_comment_org.Comment_begin_column _RDC_constraint_comment_org.Comment_end_line _RDC_constraint_comment_org.Comment_end_column _RDC_constraint_comment_org.Entry_ID _RDC_constraint_comment_org.RDC_constraint_list_ID 1 ; % bad data (untested): assign (resid 89 and name HN ) (resid 88 and name C ) -1.616 0.930 1.000 0 % bad data (untested): assign (resid 91 and name HN ) (resid 90 and name C ) -0.487 0.930 1.000 0 assign (resid 92 and name HN ) (resid 91 and name C ) -0.782 0.930 1.000 0 % bad data (untested): assign (resid 93 and name HN ) (resid 92 and name C ) -1.042 0.930 1.000 0 ; 537 1 550 54 parsed_2krc 1 stop_ loop_ _RDC_constraint_parse_err.ID _RDC_constraint_parse_err.Content _RDC_constraint_parse_err.Begin_line _RDC_constraint_parse_err.Begin_column _RDC_constraint_parse_err.End_line _RDC_constraint_parse_err.End_column _RDC_constraint_parse_err.Entry_ID _RDC_constraint_parse_err.RDC_constraint_list_ID 1 ; assign (resid 7 and name N (resid 7 and name HN ) -8.560 1.200 1.000 0 ; 7 1 8 53 parsed_2krc 1 2 ; assign (resid 8 and name N (resid 8 and name HN ) -0.056 1.200 1.000 0 ; 10 1 11 53 parsed_2krc 1 3 ; assign (resid 9 and name N (resid 9 and name HN ) -6.249 1.200 1.000 0 ; 13 1 14 53 parsed_2krc 1 4 ; assign (resid 13 and name N (resid 13 and name HN ) -7.306 1.200 1.000 0 ; 16 1 17 54 parsed_2krc 1 5 ; assign (resid 15 and name N (resid 15 and name HN ) -4.237 1.200 1.000 0 ; 19 1 20 54 parsed_2krc 1 6 ; assign (resid 16 and name N (resid 16 and name HN ) -2.538 1.200 1.000 0 ; 22 1 23 54 parsed_2krc 1 7 ; assign (resid 17 and name N (resid 17 and name HN ) -7.731 1.200 1.000 0 ; 25 1 26 54 parsed_2krc 1 8 ; assign (resid 18 and name N (resid 18 and name HN ) 12.601 1.200 1.000 0 ; 28 1 29 54 parsed_2krc 1 9 ; assign (resid 19 and name N (resid 19 and name HN ) -3.966 1.200 1.000 0 ; 31 1 32 54 parsed_2krc 1 10 ; assign (resid 20 and name N (resid 20 and name HN ) -6.662 1.200 1.000 0 ; 34 1 35 54 parsed_2krc 1 11 ; assign (resid 21 and name N (resid 21 and name HN ) -2.841 1.200 1.000 0 ; 37 1 38 54 parsed_2krc 1 12 ; assign (resid 22 and name N (resid 22 and name HN ) 5.066 1.200 1.000 0 ; 40 1 41 53 parsed_2krc 1 13 ; assign (resid 24 and name N (resid 24 and name HN ) -8.460 1.200 1.000 0 ; 43 1 44 54 parsed_2krc 1 14 ; assign (resid 27 and name N (resid 27 and name HN ) -8.799 1.200 1.000 0 ; 46 1 47 54 parsed_2krc 1 15 ; assign (resid 28 and name N (resid 28 and name HN ) -5.949 1.200 1.000 0 ; 49 1 50 54 parsed_2krc 1 16 ; assign (resid 29 and name N (resid 29 and name HN ) 14.021 1.200 1.000 0 ; 52 1 53 54 parsed_2krc 1 17 ; assign (resid 31 and name N (resid 31 and name HN ) -11.101 1.200 1.000 0 ; 55 1 56 55 parsed_2krc 1 18 ; assign (resid 33 and name N (resid 33 and name HN ) 8.063 1.200 1.000 0 ; 58 1 59 53 parsed_2krc 1 19 ; assign (resid 34 and name N (resid 34 and name HN ) 5.916 1.200 1.000 0 ; 61 1 62 53 parsed_2krc 1 20 ; assign (resid 36 and name N (resid 36 and name HN ) 7.417 1.200 1.000 0 ; 64 1 65 53 parsed_2krc 1 21 ; assign (resid 37 and name N (resid 37 and name HN ) 3.931 1.200 1.000 0 ; 67 1 68 53 parsed_2krc 1 22 ; assign (resid 39 and name N (resid 39 and name HN ) 15.464 1.200 1.000 0 ; 70 1 71 54 parsed_2krc 1 23 ; assign (resid 42 and name N (resid 42 and name HN ) 15.111 1.200 1.000 0 ; 73 1 74 54 parsed_2krc 1 24 ; assign (resid 43 and name N (resid 43 and name HN ) 11.133 1.200 1.000 0 ; 76 1 77 54 parsed_2krc 1 25 ; assign (resid 48 and name N (resid 48 and name HN ) -10.184 1.200 1.000 0 ; 83 1 84 55 parsed_2krc 1 26 ; assign (resid 49 and name N (resid 49 and name HN ) -8.210 1.200 1.000 0 ; 86 1 87 54 parsed_2krc 1 27 ; assign (resid 50 and name N (resid 50 and name HN ) -9.016 1.200 1.000 0 ; 89 1 90 54 parsed_2krc 1 28 ; assign (resid 51 and name N (resid 51 and name HN ) -7.402 1.200 1.000 0 ; 92 1 93 54 parsed_2krc 1 29 ; assign (resid 53 and name N (resid 53 and name HN ) 15.063 1.200 1.000 0 ; 98 1 99 54 parsed_2krc 1 30 ; assign (resid 54 and name N (resid 54 and name HN ) 8.051 1.200 1.000 0 ; 101 1 102 53 parsed_2krc 1 31 ; assign (resid 58 and name N (resid 58 and name HN ) 13.580 1.200 1.000 0 ; 104 1 105 54 parsed_2krc 1 32 ; assign (resid 59 and name N (resid 59 and name HN ) 13.363 1.200 1.000 0 ; 107 1 108 54 parsed_2krc 1 33 ; assign (resid 65 and name N (resid 65 and name HN ) -2.120 1.200 1.000 0 ; 110 1 111 54 parsed_2krc 1 34 ; assign (resid 70 and name N (resid 70 and name HN ) -6.554 1.200 1.000 0 ; 116 1 117 54 parsed_2krc 1 35 ; assign (resid 71 and name N (resid 71 and name HN ) 17.412 1.200 1.000 0 ; 119 1 120 54 parsed_2krc 1 36 ; assign (resid 72 and name N (resid 72 and name HN ) 9.101 1.200 1.000 0 ; 122 1 123 53 parsed_2krc 1 37 ; assign (resid 76 and name N (resid 76 and name HN ) 7.584 1.200 1.000 0 ; 133 1 134 53 parsed_2krc 1 38 ; assign (resid 77 and name N (resid 77 and name HN ) -6.841 1.200 1.000 0 ; 136 1 137 54 parsed_2krc 1 39 ; assign (resid 87 and name N (resid 87 and name HN ) -1.176 1.200 1.000 0 ; 149 1 150 54 parsed_2krc 1 40 ; assign (resid 89 and name N (resid 89 and name HN ) -0.170 1.200 1.000 0 ; 156 1 157 54 parsed_2krc 1 41 ; assign (resid 91 and name N (resid 91 and name HN ) -0.700 1.200 1.000 0 ; 159 1 160 54 parsed_2krc 1 42 ; assign (resid 93 and name N (resid 93 and name HN ) -1.225 1.200 1.000 0 ; 165 1 166 54 parsed_2krc 1 43 ; assign (resid 6 and name N (resid 5 and name C ) -7.562 1.655 1.000 0 ; 171 1 172 52 parsed_2krc 1 44 ; assign (resid 8 and name N (resid 7 and name C ) 6.610 1.655 1.000 0 ; 178 1 179 51 parsed_2krc 1 45 ; assign (resid 9 and name N (resid 8 and name C ) -2.019 1.655 1.000 0 ; 181 1 182 52 parsed_2krc 1 46 ; assign (resid 10 and name N (resid 9 and name C ) 6.172 1.655 1.000 0 ; 184 1 185 51 parsed_2krc 1 47 ; assign (resid 13 and name N (resid 12 and name C ) -4.013 1.655 1.000 0 ; 187 1 188 53 parsed_2krc 1 48 ; assign (resid 15 and name N (resid 14 and name C ) 8.894 1.655 1.000 0 ; 194 1 195 52 parsed_2krc 1 49 ; assign (resid 16 and name N (resid 15 and name C ) -8.381 1.655 1.000 0 ; 197 1 198 53 parsed_2krc 1 50 ; assign (resid 17 and name N (resid 16 and name C ) 0.174 1.655 1.000 0 ; 200 1 201 52 parsed_2krc 1 51 ; assign (resid 18 and name N (resid 17 and name C ) 1.406 1.655 1.000 0 ; 203 1 204 52 parsed_2krc 1 52 ; assign (resid 19 and name N (resid 18 and name C ) 7.669 1.655 1.000 0 ; 206 1 207 52 parsed_2krc 1 53 ; assign (resid 20 and name N (resid 19 and name C ) -3.293 1.655 1.000 0 ; 209 1 210 53 parsed_2krc 1 54 ; assign (resid 21 and name N (resid 20 and name C ) -8.282 1.655 1.000 0 ; 212 1 213 53 parsed_2krc 1 55 ; assign (resid 24 and name N (resid 23 and name C ) 2.283 1.655 1.000 0 ; 215 1 216 52 parsed_2krc 1 56 ; assign (resid 25 and name N (resid 24 and name C ) -8.406 1.655 1.000 0 ; 218 1 219 53 parsed_2krc 1 57 ; assign (resid 26 and name N (resid 25 and name C ) 11.748 1.655 1.000 0 ; 221 1 222 53 parsed_2krc 1 58 ; assign (resid 28 and name N (resid 27 and name C ) -0.405 1.655 1.000 0 ; 228 1 229 53 parsed_2krc 1 59 ; assign (resid 29 and name N (resid 28 and name C ) -1.779 1.655 1.000 0 ; 231 1 232 53 parsed_2krc 1 60 ; assign (resid 31 and name N (resid 30 and name C ) 0.786 1.655 1.000 0 ; 234 1 235 52 parsed_2krc 1 61 ; assign (resid 33 and name N (resid 32 and name C ) -11.847 1.655 1.000 0 ; 237 1 238 54 parsed_2krc 1 62 ; assign (resid 34 and name N (resid 33 and name C ) -10.615 1.655 1.000 0 ; 240 1 241 54 parsed_2krc 1 63 ; assign (resid 35 and name N (resid 34 and name C ) 4.319 1.655 1.000 0 ; 243 1 244 52 parsed_2krc 1 64 ; assign (resid 39 and name N (resid 38 and name C ) 10.036 1.655 1.000 0 ; 253 1 254 53 parsed_2krc 1 65 ; assign (resid 42 and name N (resid 41 and name C ) -3.516 1.655 1.000 0 ; 256 1 257 53 parsed_2krc 1 66 ; assign (resid 43 and name N (resid 42 and name C ) 4.674 1.655 1.000 0 ; 259 1 260 52 parsed_2krc 1 67 ; assign (resid 45 and name N (resid 44 and name C ) -12.567 1.655 1.000 0 ; 262 1 263 54 parsed_2krc 1 68 ; assign (resid 49 and name N (resid 48 and name C ) 4.104 1.655 1.000 0 ; 269 1 270 52 parsed_2krc 1 69 ; assign (resid 50 and name N (resid 49 and name C ) -4.021 1.655 1.000 0 ; 272 1 273 53 parsed_2krc 1 70 ; assign (resid 51 and name N (resid 50 and name C ) 16.530 1.655 1.000 0 ; 275 1 276 53 parsed_2krc 1 71 ; assign (resid 52 and name N (resid 51 and name C ) -6.329 1.655 1.000 0 ; 278 1 279 53 parsed_2krc 1 72 ; assign (resid 53 and name N (resid 52 and name C ) -6.048 1.655 1.000 0 ; 281 1 282 53 parsed_2krc 1 73 ; assign (resid 54 and name N (resid 53 and name C ) -5.775 1.655 1.000 0 ; 284 1 285 53 parsed_2krc 1 74 ; assign (resid 58 and name N (resid 57 and name C ) -8.207 1.655 1.000 0 ; 291 1 292 53 parsed_2krc 1 75 ; assign (resid 59 and name N (resid 58 and name C ) -10.433 1.655 1.000 0 ; 294 1 295 54 parsed_2krc 1 76 ; assign (resid 65 and name N (resid 64 and name C ) -4.401 1.655 1.000 0 ; 297 1 298 53 parsed_2krc 1 77 ; assign (resid 67 and name N (resid 66 and name C ) 9.804 1.655 1.000 0 ; 300 1 301 52 parsed_2krc 1 78 ; assign (resid 70 and name N (resid 69 and name C ) -7.901 1.655 1.000 0 ; 303 1 304 53 parsed_2krc 1 79 ; assign (resid 71 and name N (resid 70 and name C ) -12.178 1.655 1.000 0 ; 306 1 307 54 parsed_2krc 1 80 ; assign (resid 75 and name N (resid 74 and name C ) 2.019 1.655 1.000 0 ; 317 1 318 52 parsed_2krc 1 81 ; assign (resid 76 and name N (resid 75 and name C ) -0.993 1.655 1.000 0 ; 320 1 321 53 parsed_2krc 1 82 ; assign (resid 77 and name N (resid 76 and name C ) 2.523 1.655 1.000 0 ; 323 1 324 52 parsed_2krc 1 83 ; assign (resid 78 and name N (resid 77 and name C ) -6.346 1.655 1.000 0 ; 326 1 327 53 parsed_2krc 1 84 ; assign (resid 80 and name N (resid 79 and name C ) -0.753 1.655 1.000 0 ; 329 1 330 53 parsed_2krc 1 85 ; assign (resid 81 and name N (resid 80 and name C ) -7.322 1.655 1.000 0 ; 332 1 333 53 parsed_2krc 1 86 ; assign (resid 93 and name N (resid 92 and name C ) -1.051 1.655 1.000 0 ; 358 1 359 53 parsed_2krc 1 87 ; assign (resid 3 and name HN (resid 2 and name C ) -5.034 0.930 1.000 0 ; 360 1 361 52 parsed_2krc 1 88 ; assign (resid 6 and name HN (resid 5 and name C ) -5.421 0.930 1.000 0 ; 363 1 364 52 parsed_2krc 1 89 ; assign (resid 7 and name HN (resid 6 and name C ) -1.613 0.930 1.000 0 ; 366 1 367 52 parsed_2krc 1 90 ; assign (resid 8 and name HN (resid 7 and name C ) 7.437 0.930 1.000 0 ; 369 1 370 51 parsed_2krc 1 91 ; assign (resid 9 and name HN (resid 8 and name C ) -0.226 0.930 1.000 0 ; 372 1 373 52 parsed_2krc 1 92 ; assign (resid 10 and name HN (resid 9 and name C ) -4.702 0.930 1.000 0 ; 375 1 376 52 parsed_2krc 1 93 ; assign (resid 13 and name HN (resid 12 and name C ) -5.338 0.930 1.000 0 ; 378 1 379 53 parsed_2krc 1 94 ; assign (resid 14 and name HN (resid 13 and name C ) -7.245 0.930 1.000 0 ; 381 1 382 53 parsed_2krc 1 95 ; assign (resid 15 and name HN (resid 14 and name C ) 8.945 0.930 1.000 0 ; 384 1 385 52 parsed_2krc 1 96 ; assign (resid 16 and name HN (resid 15 and name C ) -6.622 0.930 1.000 0 ; 387 1 388 53 parsed_2krc 1 97 ; assign (resid 17 and name HN (resid 16 and name C ) -8.824 0.930 1.000 0 ; 390 1 391 53 parsed_2krc 1 98 ; assign (resid 18 and name HN (resid 17 and name C ) 9.534 0.930 1.000 0 ; 393 1 394 52 parsed_2krc 1 99 ; assign (resid 19 and name HN (resid 18 and name C ) 4.398 0.930 1.000 0 ; 396 1 397 52 parsed_2krc 1 100 ; assign (resid 21 and name HN (resid 20 and name C ) -9.233 0.930 1.000 0 ; 402 1 403 53 parsed_2krc 1 101 ; assign (resid 25 and name HN (resid 24 and name C ) -4.302 0.930 1.000 0 ; 408 1 409 53 parsed_2krc 1 102 ; assign (resid 26 and name HN (resid 25 and name C ) 12.117 0.930 1.000 0 ; 411 1 412 53 parsed_2krc 1 103 ; assign (resid 27 and name HN (resid 26 and name C ) -9.621 0.930 1.000 0 ; 414 1 415 53 parsed_2krc 1 104 ; assign (resid 29 and name HN (resid 28 and name C ) 8.954 0.930 1.000 0 ; 420 1 421 52 parsed_2krc 1 105 ; assign (resid 31 and name HN (resid 30 and name C ) -7.422 0.930 1.000 0 ; 423 1 424 53 parsed_2krc 1 106 ; assign (resid 33 and name HN (resid 32 and name C ) -6.014 0.930 1.000 0 ; 426 1 427 53 parsed_2krc 1 107 ; assign (resid 34 and name HN (resid 33 and name C ) -7.515 0.930 1.000 0 ; 429 1 430 53 parsed_2krc 1 108 ; assign (resid 35 and name HN (resid 34 and name C ) 16.162 0.930 1.000 0 ; 432 1 433 53 parsed_2krc 1 109 ; assign (resid 36 and name HN (resid 35 and name C ) 8.830 0.930 1.000 0 ; 435 1 436 52 parsed_2krc 1 110 ; assign (resid 37 and name HN (resid 36 and name C ) -5.269 0.930 1.000 0 ; 438 1 439 53 parsed_2krc 1 111 ; assign (resid 39 and name HN (resid 38 and name C ) 18.938 0.930 1.000 0 ; 441 1 442 53 parsed_2krc 1 112 ; assign (resid 42 and name HN (resid 41 and name C ) 5.601 0.930 1.000 0 ; 444 1 445 52 parsed_2krc 1 113 ; assign (resid 43 and name HN (resid 42 and name C ) 13.479 0.930 1.000 0 ; 447 1 448 53 parsed_2krc 1 114 ; assign (resid 45 and name HN (resid 44 and name C ) -4.144 0.930 1.000 0 ; 450 1 451 53 parsed_2krc 1 115 ; assign (resid 48 and name HN (resid 47 and name C ) 3.393 0.930 1.000 0 ; 453 1 454 52 parsed_2krc 1 116 ; assign (resid 49 and name HN (resid 48 and name C ) 1.706 0.930 1.000 0 ; 456 1 457 52 parsed_2krc 1 117 ; assign (resid 50 and name HN (resid 49 and name C ) -7.338 0.930 1.000 0 ; 459 1 460 53 parsed_2krc 1 118 ; assign (resid 53 and name HN (resid 52 and name C ) 0.651 0.930 1.000 0 ; 469 1 470 52 parsed_2krc 1 119 ; assign (resid 54 and name HN (resid 53 and name C ) -1.830 0.930 1.000 0 ; 472 1 473 53 parsed_2krc 1 120 ; assign (resid 55 and name HN (resid 54 and name C ) -2.013 0.930 1.000 0 ; 475 1 476 53 parsed_2krc 1 121 ; assign (resid 58 and name HN (resid 57 and name C ) 3.309 0.930 1.000 0 ; 478 1 479 52 parsed_2krc 1 122 ; assign (resid 59 and name HN (resid 58 and name C ) -3.232 0.930 1.000 0 ; 481 1 482 53 parsed_2krc 1 123 ; assign (resid 67 and name HN (resid 66 and name C ) 17.058 0.930 1.000 0 ; 491 1 492 53 parsed_2krc 1 124 ; assign (resid 70 and name HN (resid 69 and name C ) -7.316 0.930 1.000 0 ; 494 1 495 53 parsed_2krc 1 125 ; assign (resid 71 and name HN (resid 70 and name C ) -1.895 0.930 1.000 0 ; 497 1 498 53 parsed_2krc 1 126 ; assign (resid 77 and name HN (resid 76 and name C ) 0.813 0.930 1.000 0 ; 514 1 515 52 parsed_2krc 1 127 ; assign (resid 78 and name HN (resid 77 and name C ) -7.093 0.930 1.000 0 ; 517 1 518 53 parsed_2krc 1 128 ; assign (resid 80 and name HN (resid 79 and name C ) 9.736 0.930 1.000 0 ; 520 1 521 52 parsed_2krc 1 129 ; assign (resid 87 and name HN (resid 86 and name C ) -4.457 0.930 1.000 0 ; 531 1 532 53 parsed_2krc 1 130 ; assign (resid 88 and name HN (resid 87 and name C ) -1.027 0.930 1.000 0 ; 534 1 535 53 parsed_2krc 1 stop_ save_
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