NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type |
458328 | 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_7 _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 7 _RDC_constraint_list.Details "Generated by Wattos" 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 ) -21.105 1.200 1.000 0 ; 7 1 8 54 parsed_2krc 1 2 ; assign (resid 8 and name N (resid 8 and name HN ) -4.379 0.600 1.000 0 ; 10 1 11 53 parsed_2krc 1 3 ; assign (resid 9 and name N (resid 9 and name HN ) -5.474 0.600 1.000 0 ; 13 1 14 53 parsed_2krc 1 4 ; assign (resid 10 and name N (resid 10 and name HN ) -21.410 1.200 1.000 0 ; 16 1 17 55 parsed_2krc 1 5 ; assign (resid 12 and name N (resid 12 and name HN ) 7.541 0.600 1.000 0 ; 19 1 20 53 parsed_2krc 1 6 ; assign (resid 13 and name N (resid 13 and name HN ) -8.697 1.200 1.000 0 ; 22 1 23 54 parsed_2krc 1 7 ; assign (resid 15 and name N (resid 15 and name HN ) -12.955 0.600 1.000 0 ; 25 1 26 55 parsed_2krc 1 8 ; assign (resid 16 and name N (resid 16 and name HN ) -6.751 0.600 1.000 0 ; 28 1 29 54 parsed_2krc 1 9 ; assign (resid 17 and name N (resid 17 and name HN ) -15.570 1.200 1.000 0 ; 31 1 32 55 parsed_2krc 1 10 ; assign (resid 18 and name N (resid 18 and name HN ) 21.469 0.600 1.000 0 ; 34 1 35 54 parsed_2krc 1 11 ; assign (resid 19 and name N (resid 19 and name HN ) -4.866 1.200 1.000 0 ; 37 1 38 54 parsed_2krc 1 12 ; assign (resid 20 and name N (resid 20 and name HN ) -12.407 2.000 1.000 0 ; 40 1 41 55 parsed_2krc 1 13 ; assign (resid 21 and name N (resid 21 and name HN ) -0.304 1.200 1.000 0 ; 43 1 44 54 parsed_2krc 1 14 ; assign (resid 22 and name N (resid 22 and name HN ) 9.306 2.000 1.000 0 ; 46 1 47 53 parsed_2krc 1 15 ; assign (resid 24 and name N (resid 24 and name HN ) -15.691 2.000 1.000 0 ; 49 1 50 55 parsed_2krc 1 16 ; assign (resid 25 and name N (resid 25 and name HN ) 5.580 1.200 1.000 0 ; 52 1 53 53 parsed_2krc 1 17 ; assign (resid 27 and name N (resid 27 and name HN ) -17.577 1.200 1.000 0 ; 59 1 60 55 parsed_2krc 1 18 ; assign (resid 29 and name N (resid 29 and name HN ) 30.106 1.200 1.000 0 ; 62 1 63 54 parsed_2krc 1 19 ; assign (resid 31 and name N (resid 31 and name HN ) -28.950 1.200 1.000 0 ; 65 1 66 55 parsed_2krc 1 20 ; assign (resid 33 and name N (resid 33 and name HN ) 23.720 1.200 1.000 0 ; 68 1 69 54 parsed_2krc 1 21 ; assign (resid 34 and name N (resid 34 and name HN ) 22.442 0.600 1.000 0 ; 71 1 72 54 parsed_2krc 1 22 ; assign (resid 35 and name N (resid 35 and name HN ) 32.357 1.200 1.000 0 ; 74 1 75 54 parsed_2krc 1 23 ; assign (resid 37 and name N (resid 37 and name HN ) 20.679 2.000 1.000 0 ; 81 1 82 54 parsed_2krc 1 24 ; assign (resid 39 and name N (resid 39 and name HN ) 31.383 1.200 1.000 0 ; 84 1 85 54 parsed_2krc 1 25 ; assign (resid 42 and name N (resid 42 and name HN ) 34.971 1.200 1.000 0 ; 87 1 88 54 parsed_2krc 1 26 ; assign (resid 43 and name N (resid 43 and name HN ) 25.605 1.200 1.000 0 ; 90 1 91 54 parsed_2krc 1 27 ; assign (resid 46 and name N (resid 46 and name HN ) 30.593 2.000 1.000 0 ; 97 1 98 54 parsed_2krc 1 28 ; assign (resid 48 and name N (resid 48 and name HN ) -19.584 1.200 1.000 0 ; 100 1 101 55 parsed_2krc 1 29 ; assign (resid 49 and name N (resid 49 and name HN ) -22.868 1.200 1.000 0 ; 103 1 104 55 parsed_2krc 1 30 ; assign (resid 50 and name N (resid 50 and name HN ) -17.881 1.200 1.000 0 ; 106 1 107 55 parsed_2krc 1 31 ; assign (resid 52 and name N (resid 52 and name HN ) -13.623 1.200 1.000 0 ; 112 1 113 55 parsed_2krc 1 32 ; assign (resid 53 and name N (resid 53 and name HN ) 23.416 1.200 1.000 0 ; 115 1 116 54 parsed_2krc 1 33 ; assign (resid 54 and name N (resid 54 and name HN ) 1.885 1.200 1.000 0 ; 118 1 119 53 parsed_2krc 1 34 ; assign (resid 59 and name N (resid 59 and name HN ) 13.989 2.000 1.000 0 ; 121 1 122 54 parsed_2krc 1 35 ; assign (resid 61 and name N (resid 61 and name HN ) 19.037 1.200 1.000 0 ; 124 1 125 54 parsed_2krc 1 36 ; assign (resid 70 and name N (resid 70 and name HN ) -19.280 1.200 1.000 0 ; 135 1 136 55 parsed_2krc 1 37 ; assign (resid 71 and name N (resid 71 and name HN ) 24.632 1.200 1.000 0 ; 138 1 139 54 parsed_2krc 1 38 ; assign (resid 74 and name N (resid 74 and name HN ) 0.430 1.200 1.000 0 ; 144 1 145 53 parsed_2krc 1 39 ; assign (resid 75 and name N (resid 75 and name HN ) 32.782 1.200 1.000 0 ; 147 1 148 54 parsed_2krc 1 40 ; assign (resid 77 and name N (resid 77 and name HN ) -14.961 1.200 1.000 0 ; 150 1 151 55 parsed_2krc 1 41 ; assign (resid 78 and name N (resid 78 and name HN ) -21.774 1.200 1.000 0 ; 153 1 154 55 parsed_2krc 1 42 ; assign (resid 6 and name N (resid 5 and name C ) -11.459 1.655 1.000 0 ; 193 1 194 53 parsed_2krc 1 43 ; assign (resid 8 and name N (resid 7 and name C ) 0.132 1.655 1.000 0 ; 200 1 201 51 parsed_2krc 1 44 ; assign (resid 9 and name N (resid 8 and name C ) 10.606 1.655 1.000 0 ; 203 1 204 52 parsed_2krc 1 45 ; assign (resid 10 and name N (resid 9 and name C ) 7.909 1.655 1.000 0 ; 206 1 207 51 parsed_2krc 1 46 ; assign (resid 12 and name N (resid 11 and name C ) 28.766 1.655 1.000 0 ; 209 1 210 53 parsed_2krc 1 47 ; assign (resid 13 and name N (resid 12 and name C ) -11.119 1.655 1.000 0 ; 212 1 213 54 parsed_2krc 1 48 ; assign (resid 16 and name N (resid 15 and name C ) -12.915 1.655 1.000 0 ; 219 1 220 54 parsed_2krc 1 49 ; assign (resid 17 and name N (resid 16 and name C ) -9.547 1.655 1.000 0 ; 222 1 223 53 parsed_2krc 1 50 ; assign (resid 18 and name N (resid 17 and name C ) 16.828 1.655 1.000 0 ; 225 1 226 53 parsed_2krc 1 51 ; assign (resid 20 and name N (resid 19 and name C ) 2.424 1.655 1.000 0 ; 228 1 229 52 parsed_2krc 1 52 ; assign (resid 21 and name N (resid 20 and name C ) -21.759 1.655 1.000 0 ; 231 1 232 54 parsed_2krc 1 53 ; assign (resid 24 and name N (resid 23 and name C ) 1.688 1.655 1.000 0 ; 234 1 235 52 parsed_2krc 1 54 ; assign (resid 25 and name N (resid 24 and name C ) -1.026 1.655 1.000 0 ; 237 1 238 53 parsed_2krc 1 55 ; assign (resid 26 and name N (resid 25 and name C ) 14.379 1.655 1.000 0 ; 240 1 241 53 parsed_2krc 1 56 ; assign (resid 28 and name N (resid 27 and name C ) -12.162 1.655 1.000 0 ; 243 1 244 54 parsed_2krc 1 57 ; assign (resid 29 and name N (resid 28 and name C ) -6.279 1.655 1.000 0 ; 246 1 247 53 parsed_2krc 1 58 ; assign (resid 31 and name N (resid 30 and name C ) 2.714 1.655 1.000 0 ; 249 1 250 52 parsed_2krc 1 59 ; assign (resid 33 and name N (resid 32 and name C ) -17.225 1.655 1.000 0 ; 252 1 253 54 parsed_2krc 1 60 ; assign (resid 34 and name N (resid 33 and name C ) -19.500 1.655 1.000 0 ; 255 1 256 54 parsed_2krc 1 61 ; assign (resid 35 and name N (resid 34 and name C ) 6.412 1.655 1.000 0 ; 258 1 259 52 parsed_2krc 1 62 ; assign (resid 36 and name N (resid 35 and name C ) -6.329 1.655 1.000 0 ; 261 1 262 53 parsed_2krc 1 63 ; assign (resid 39 and name N (resid 38 and name C ) 7.694 1.655 1.000 0 ; 264 1 265 52 parsed_2krc 1 64 ; assign (resid 42 and name N (resid 41 and name C ) -6.453 1.655 1.000 0 ; 267 1 268 53 parsed_2krc 1 65 ; assign (resid 43 and name N (resid 42 and name C ) -3.822 1.655 1.000 0 ; 270 1 271 53 parsed_2krc 1 66 ; assign (resid 45 and name N (resid 44 and name C ) -23.902 1.655 1.000 0 ; 273 1 274 54 parsed_2krc 1 67 ; assign (resid 49 and name N (resid 48 and name C ) -2.275 1.655 1.000 0 ; 280 1 281 53 parsed_2krc 1 68 ; assign (resid 50 and name N (resid 49 and name C ) 3.301 1.655 1.000 0 ; 283 1 284 52 parsed_2krc 1 69 ; assign (resid 52 and name N (resid 51 and name C ) -10.979 1.655 1.000 0 ; 286 1 287 54 parsed_2krc 1 70 ; assign (resid 54 and name N (resid 53 and name C ) -6.337 1.655 1.000 0 ; 293 1 294 53 parsed_2krc 1 71 ; assign (resid 55 and name N (resid 54 and name C ) -12.278 1.655 1.000 0 ; 296 1 297 54 parsed_2krc 1 72 ; assign (resid 58 and name N (resid 57 and name C ) -21.089 1.655 1.000 0 ; 299 1 300 54 parsed_2krc 1 73 ; assign (resid 59 and name N (resid 58 and name C ) -6.834 1.655 1.000 0 ; 302 1 303 53 parsed_2krc 1 74 ; assign (resid 70 and name N (resid 69 and name C ) -8.836 1.655 1.000 0 ; 316 1 317 53 parsed_2krc 1 75 ; assign (resid 71 and name N (resid 70 and name C ) -28.857 1.655 1.000 0 ; 319 1 320 54 parsed_2krc 1 76 ; assign (resid 74 and name N (resid 73 and name C ) -18.052 1.655 1.000 0 ; 326 1 327 54 parsed_2krc 1 77 ; assign (resid 75 and name N (resid 74 and name C ) -1.456 1.655 1.000 0 ; 329 1 330 53 parsed_2krc 1 78 ; assign (resid 76 and name N (resid 75 and name C ) 7.661 1.655 1.000 0 ; 332 1 333 52 parsed_2krc 1 79 ; assign (resid 77 and name N (resid 76 and name C ) -10.193 1.655 1.000 0 ; 335 1 336 54 parsed_2krc 1 80 ; assign (resid 78 and name N (resid 77 and name C ) -2.548 1.655 1.000 0 ; 338 1 339 53 parsed_2krc 1 81 ; assign (resid 8 and name HN (resid 7 and name C ) -0.716 0.930 1.000 0 ; 383 1 384 52 parsed_2krc 1 82 ; assign (resid 9 and name HN (resid 8 and name C ) 10.250 0.930 1.000 0 ; 386 1 387 52 parsed_2krc 1 83 ; assign (resid 10 and name HN (resid 9 and name C ) -7.102 0.930 1.000 0 ; 389 1 390 52 parsed_2krc 1 84 ; assign (resid 12 and name HN (resid 11 and name C ) 30.103 0.930 1.000 0 ; 392 1 393 53 parsed_2krc 1 85 ; assign (resid 13 and name HN (resid 12 and name C ) -6.935 0.930 1.000 0 ; 395 1 396 53 parsed_2krc 1 86 ; assign (resid 16 and name HN (resid 15 and name C ) -10.548 0.930 1.000 0 ; 402 1 403 54 parsed_2krc 1 87 ; assign (resid 17 and name HN (resid 16 and name C ) -23.785 0.930 1.000 0 ; 405 1 406 54 parsed_2krc 1 88 ; assign (resid 18 and name HN (resid 17 and name C ) 26.285 0.930 1.000 0 ; 408 1 409 53 parsed_2krc 1 89 ; assign (resid 21 and name HN (resid 20 and name C ) -20.864 0.930 1.000 0 ; 415 1 416 54 parsed_2krc 1 90 ; assign (resid 24 and name HN (resid 23 and name C ) -25.491 0.930 1.000 0 ; 418 1 419 54 parsed_2krc 1 91 ; assign (resid 25 and name HN (resid 24 and name C ) 4.572 0.930 1.000 0 ; 421 1 422 52 parsed_2krc 1 92 ; assign (resid 26 and name HN (resid 25 and name C ) 14.664 0.930 1.000 0 ; 424 1 425 53 parsed_2krc 1 93 ; assign (resid 31 and name HN (resid 30 and name C ) -12.887 0.930 1.000 0 ; 434 1 435 54 parsed_2krc 1 94 ; assign (resid 33 and name HN (resid 32 and name C ) -8.176 0.930 1.000 0 ; 437 1 438 53 parsed_2krc 1 95 ; assign (resid 34 and name HN (resid 33 and name C ) -5.077 0.930 1.000 0 ; 440 1 441 53 parsed_2krc 1 96 ; assign (resid 36 and name HN (resid 35 and name C ) 8.780 0.930 1.000 0 ; 447 1 448 52 parsed_2krc 1 97 ; assign (resid 39 and name HN (resid 38 and name C ) 27.392 0.930 1.000 0 ; 450 1 451 53 parsed_2krc 1 98 ; assign (resid 42 and name HN (resid 41 and name C ) 20.225 0.930 1.000 0 ; 453 1 454 53 parsed_2krc 1 99 ; assign (resid 43 and name HN (resid 42 and name C ) 13.733 0.930 1.000 0 ; 456 1 457 53 parsed_2krc 1 100 ; assign (resid 45 and name HN (resid 44 and name C ) -4.683 0.930 1.000 0 ; 459 1 460 53 parsed_2krc 1 101 ; assign (resid 48 and name HN (resid 47 and name C ) 13.029 0.930 1.000 0 ; 462 1 463 53 parsed_2krc 1 102 ; assign (resid 49 and name HN (resid 48 and name C ) -11.423 0.930 1.000 0 ; 465 1 466 54 parsed_2krc 1 103 ; assign (resid 50 and name HN (resid 49 and name C ) -8.191 0.930 1.000 0 ; 468 1 469 53 parsed_2krc 1 104 ; assign (resid 52 and name HN (resid 51 and name C ) -12.412 0.930 1.000 0 ; 471 1 472 54 parsed_2krc 1 105 ; assign (resid 54 and name HN (resid 53 and name C ) -2.751 0.930 1.000 0 ; 478 1 479 53 parsed_2krc 1 106 ; assign (resid 55 and name HN (resid 54 and name C ) -11.956 0.930 1.000 0 ; 481 1 482 54 parsed_2krc 1 107 ; assign (resid 58 and name HN (resid 57 and name C ) -8.659 0.930 1.000 0 ; 484 1 485 53 parsed_2krc 1 108 ; assign (resid 59 and name HN (resid 58 and name C ) -10.303 0.930 1.000 0 ; 487 1 488 54 parsed_2krc 1 109 ; assign (resid 64 and name HN (resid 63 and name C ) 28.484 0.930 1.000 0 ; 490 1 491 53 parsed_2krc 1 110 ; assign (resid 70 and name HN (resid 69 and name C ) -9.763 0.930 1.000 0 ; 501 1 502 53 parsed_2krc 1 111 ; assign (resid 71 and name HN (resid 70 and name C ) -13.895 0.930 1.000 0 ; 504 1 505 54 parsed_2krc 1 112 ; assign (resid 75 and name HN (resid 74 and name C ) 17.157 0.930 1.000 0 ; 515 1 516 53 parsed_2krc 1 113 ; assign (resid 76 and name HN (resid 75 and name C ) 22.070 0.930 1.000 0 ; 518 1 519 53 parsed_2krc 1 114 ; assign (resid 77 and name HN (resid 76 and name C ) -14.642 0.930 1.000 0 ; 521 1 522 54 parsed_2krc 1 115 ; assign (resid 78 and name HN (resid 77 and name C ) -8.253 0.930 1.000 0 ; 524 1 525 53 parsed_2krc 1 116 ; assign (resid 87 and name HN (resid 86 and name C ) -3.933 0.930 1.000 0 ; 535 1 536 53 parsed_2krc 1 117 ; assign (resid 88 and name HN (resid 87 and name C ) -0.809 0.930 1.000 0 ; 538 1 539 53 parsed_2krc 1 118 ; assign (resid 7 and name CA (resid 7 and name C ) -14.474 1.512 1.000 0 ; 575 1 576 53 parsed_2krc 1 119 ; assign (resid 9 and name CA (resid 9 and name C ) 8.532 1.512 1.000 0 ; 582 1 583 51 parsed_2krc 1 120 ; assign (resid 14 and name CA (resid 14 and name C ) 1.336 1.512 1.000 0 ; 592 1 593 52 parsed_2krc 1 121 ; assign (resid 15 and name CA (resid 15 and name C ) -14.776 1.512 1.000 0 ; 595 1 596 54 parsed_2krc 1 122 ; assign (resid 19 and name CA (resid 19 and name C ) 27.532 1.512 1.000 0 ; 609 1 610 53 parsed_2krc 1 123 ; assign (resid 20 and name CA (resid 20 and name C ) 9.202 1.512 1.000 0 ; 612 1 613 52 parsed_2krc 1 124 ; assign (resid 24 and name CA (resid 24 and name C ) -8.678 1.512 1.000 0 ; 619 1 620 53 parsed_2krc 1 125 ; assign (resid 33 and name CA (resid 33 and name C ) 23.742 1.512 1.000 0 ; 635 1 636 53 parsed_2krc 1 126 ; assign (resid 41 and name CA (resid 41 and name C ) 7.675 1.512 1.000 0 ; 652 1 653 52 parsed_2krc 1 127 ; assign (resid 46 and name CA (resid 46 and name C ) 8.799 1.512 1.000 0 ; 658 1 659 52 parsed_2krc 1 128 ; assign (resid 51 and name CA (resid 51 and name C ) -15.124 1.512 1.000 0 ; 667 1 668 54 parsed_2krc 1 129 ; assign (resid 52 and name CA (resid 52 and name C ) -2.585 1.512 1.000 0 ; 670 1 671 53 parsed_2krc 1 130 ; assign (resid 53 and name CA (resid 53 and name C ) 0.766 1.512 1.000 0 ; 673 1 674 52 parsed_2krc 1 131 ; assign (resid 56 and name CA (resid 56 and name C ) -19.710 1.512 1.000 0 ; 679 1 680 54 parsed_2krc 1 132 ; assign (resid 59 and name CA (resid 59 and name C ) -15.507 1.512 1.000 0 ; 686 1 687 54 parsed_2krc 1 133 ; assign (resid 60 and name CA (resid 60 and name C ) -11.541 1.512 1.000 0 ; 689 1 690 54 parsed_2krc 1 134 ; assign (resid 73 and name CA (resid 73 and name C ) 39.763 1.512 1.000 0 ; 718 1 719 53 parsed_2krc 1 135 ; assign (resid 74 and name CA (resid 74 and name C ) 3.185 1.512 1.000 0 ; 721 1 722 52 parsed_2krc 1 136 ; assign (resid 75 and name CA (resid 75 and name C ) -29.180 1.512 1.000 0 ; 724 1 725 54 parsed_2krc 1 137 ; assign (resid 76 and name CA (resid 76 and name C ) -14.801 1.512 1.000 0 ; 727 1 728 54 parsed_2krc 1 138 ; assign (resid 84 and name CA (resid 84 and name C ) 11.228 1.512 1.000 0 ; 749 1 750 53 parsed_2krc 1 139 ; assign (resid 85 and name CA (resid 85 and name C ) -6.360 1.512 1.000 0 ; 752 1 753 53 parsed_2krc 1 140 ; assign (resid 3 and name CA (resid 3 and name HA ) -20.924 1.245 1.000 0 ; 793 1 794 54 parsed_2krc 1 141 ; assign (resid 9 and name CA (resid 9 and name HA ) -5.978 1.245 1.000 0 ; 796 1 797 53 parsed_2krc 1 142 ; assign (resid 11 and name CA (resid 11 and name HA ) 9.266 1.245 1.000 0 ; 799 1 800 53 parsed_2krc 1 143 ; assign (resid 15 and name CA (resid 15 and name HA ) 4.783 1.245 1.000 0 ; 802 1 803 53 parsed_2krc 1 144 ; assign (resid 16 and name CA (resid 16 and name HA ) 2.092 1.245 1.000 0 ; 805 1 806 53 parsed_2krc 1 145 ; assign (resid 17 and name CA (resid 17 and name HA ) -10.163 1.245 1.000 0 ; 808 1 809 55 parsed_2krc 1 146 ; assign (resid 19 and name CA (resid 19 and name HA ) -4.484 1.245 1.000 0 ; 811 1 812 54 parsed_2krc 1 147 ; assign (resid 28 and name CA (resid 28 and name HA ) -0.897 1.245 1.000 0 ; 814 1 815 54 parsed_2krc 1 148 ; assign (resid 30 and name CA (resid 30 and name HA ) -23.615 1.245 1.000 0 ; 817 1 818 55 parsed_2krc 1 149 ; assign (resid 31 and name CA (resid 31 and name HA ) -21.223 1.245 1.000 0 ; 820 1 821 55 parsed_2krc 1 150 ; assign (resid 32 and name CA (resid 32 and name HA ) 17.936 1.245 1.000 0 ; 823 1 824 54 parsed_2krc 1 151 ; assign (resid 37 and name CA (resid 37 and name HA ) -17.337 1.245 1.000 0 ; 826 1 827 55 parsed_2krc 1 152 ; assign (resid 40 and name CA (resid 40 and name HA ) -14.946 1.245 1.000 0 ; 829 1 830 55 parsed_2krc 1 153 ; assign (resid 41 and name CA (resid 41 and name HA ) -8.968 1.245 1.000 0 ; 832 1 833 54 parsed_2krc 1 154 ; assign (resid 42 and name CA (resid 42 and name HA ) 25.707 1.245 1.000 0 ; 835 1 836 54 parsed_2krc 1 155 ; assign (resid 48 and name CA (resid 48 and name HA ) -15.544 1.245 1.000 0 ; 838 1 839 55 parsed_2krc 1 156 ; assign (resid 55 and name CA (resid 55 and name HA ) -12.853 1.245 1.000 0 ; 841 1 842 55 parsed_2krc 1 157 ; assign (resid 60 and name CA (resid 60 and name HA ) 33.479 1.245 1.000 0 ; 844 1 845 54 parsed_2krc 1 158 ; assign (resid 62 and name CA (resid 62 and name HA ) -12.555 1.245 1.000 0 ; 847 1 848 55 parsed_2krc 1 159 ; assign (resid 64 and name CA (resid 64 and name HA ) 40.055 1.245 1.000 0 ; 850 1 851 54 parsed_2krc 1 160 ; assign (resid 68 and name CA (resid 68 and name HA ) -23.615 1.245 1.000 0 ; 853 1 854 55 parsed_2krc 1 161 ; assign (resid 76 and name CA (resid 76 and name HA ) 4.484 1.245 1.000 0 ; 856 1 857 53 parsed_2krc 1 162 ; assign (resid 83 and name CA (resid 83 and name HA ) -2.092 1.245 1.000 0 ; 859 1 860 54 parsed_2krc 1 163 ; assign (resid 84 and name CA (resid 84 and name HA ) 1.196 1.245 1.000 0 ; 862 1 863 53 parsed_2krc 1 164 ; assign (resid 85 and name CA (resid 85 and name HA ) -1.196 1.245 1.000 0 ; 865 1 866 54 parsed_2krc 1 165 ; assign (resid 88 and name CA (resid 88 and name HA ) 5.680 1.245 1.000 0 ; 868 1 869 53 parsed_2krc 1 166 ; assign (resid 91 and name CA (resid 91 and name HA ) 3.288 1.245 1.000 0 ; 871 1 872 53 parsed_2krc 1 167 ; assign (resid 94 and name CA (resid 94 and name HA ) 2.989 1.245 1.000 0 ; 874 1 875 53 parsed_2krc 1 168 ; assign (resid 96 and name CA (resid 96 and name HA ) -1.794 1.245 1.000 0 ; 877 1 878 54 parsed_2krc 1 stop_ save_
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