data_26779 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26779 _Entry.Title ; Human Cdc25B complete catalytic domain: backbone assignments (1H, 13CA, 13CB, 13C', 15N), 15N relaxation times (T1 and T2), heteronuclear NOEs and residual dipolar couplings (NH) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-04-14 _Entry.Accession_date 2016-04-14 _Entry.Last_release_date 2016-08-01 _Entry.Original_release_date 2016-08-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Raphael Sayegh . RS . . 26779 2 Fabio Tamaki . K. . . 26779 3 Sandro Marana . R. . . 26779 4 Roberto Salinas . K. . . 26779 5 Guilherme Arantes . M. . . 26779 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID RDCs 1 26779 assigned_chemical_shifts 1 26779 heteronucl_NOEs 1 26779 heteronucl_T1_relaxation 1 26779 heteronucl_T2_relaxation 1 26779 order_parameters 1 26779 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 467 26779 '15N chemical shifts' 143 26779 '1H chemical shifts' 143 26779 'T1 relaxation values' 137 26779 'T2 relaxation values' 86 26779 'heteronuclear NOE values' 135 26779 'order parameters' 80 26779 'residual dipolar couplings' 144 26779 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-10-26 2016-04-14 update BMRB 'update entry citation' 26779 1 . . 2016-08-01 2016-04-14 original author 'original release' 26779 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1QB0 'crystal structure' 26779 stop_ save_ ############### # Citations # ############### save_PhD_thesis _Citation.Sf_category citations _Citation.Sf_framecode PhD_thesis _Citation.Entry_ID 26779 _Citation.ID 1 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Conformational Flexibility of the Catalytic Domain of Cdc25B Phosphatase ; _Citation.Status na _Citation.Type thesis _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution 'Instituto de Quimica - University of Sao Paulo' _Citation.Thesis_institution_city 'Sao Paulo' _Citation.Thesis_institution_country Brazil _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Raphael Sayegh . RS . . 26779 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'confomational disorder' 26779 1 'molecular dynamics' 26779 1 'nuclear magnetic resonance' 26779 1 'order parameter' 26779 1 'residual dipolar couplings' 26779 1 stop_ save_ save_Paper _Citation.Sf_category citations _Citation.Sf_framecode Paper _Citation.Entry_ID 26779 _Citation.ID 2 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27410025 _Citation.Full_citation . _Citation.Title ; Conformational flexibility of the complete catalytic domain of Cdc25B phosphatases ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 84 _Citation.Journal_issue 11 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1567 _Citation.Page_last 1575 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Raphael Sayegh . RS . . 26779 2 2 Fabio Tamaki . K. . . 26779 2 3 Sandro Marana . R. . . 26779 2 4 Roberto Salinas . K. . . 26779 2 5 Guilherme Arantes . M. . . 26779 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26779 _Assembly.ID 1 _Assembly.Name 'Cdc25B monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 23719 _Assembly.Enzyme_commission_number 3.1.3.16 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Cdc25B monomer' 1 $Cdc25B A . yes native no no . . . 26779 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1QB0 . . X-ray 1.91 'Structure of the protein used in NMR experiments' 'Sequence of the constructs used for NMR and X-ray experiments differ in the N-terminus' 26779 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Control of the cell cycle. Dephosphorylation of pTpY-Cdk2/Ciclin A complex' 26779 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Cdc25B _Entity.Sf_category entity _Entity.Sf_framecode Cdc25B _Entity.Entry_ID 26779 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Cdc25B _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMEFQSDHRELIGDYSKA FLLQTVDGKHQDLKYISPET MVALLTGKFSNIVDKFVIVD CRYPYEYEGGHIKTAVNLPL ERDAESFLLKSPIAPCSLDK RVILIFHCEFSSERGPRMCR FIRERDRAVNDYPSLYYPEM YILKGGYKEFFPQHPNFCEP QDYRPMNHEAFKDELKTFRL KTRSWAGERSRRELCSRLQD Q ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'residue code' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 201 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Additional segment (366-372) at N-terminal region as a result of clonning procedure: GSHMEFQ.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 366 GLY . 26779 1 2 367 SER . 26779 1 3 368 HIS . 26779 1 4 369 MET . 26779 1 5 370 GLU . 26779 1 6 371 PHE . 26779 1 7 372 GLN . 26779 1 8 373 SER . 26779 1 9 374 ASP . 26779 1 10 375 HIS . 26779 1 11 376 ARG . 26779 1 12 377 GLU . 26779 1 13 378 LEU . 26779 1 14 379 ILE . 26779 1 15 380 GLY . 26779 1 16 381 ASP . 26779 1 17 382 TYR . 26779 1 18 383 SER . 26779 1 19 384 LYS . 26779 1 20 385 ALA . 26779 1 21 386 PHE . 26779 1 22 387 LEU . 26779 1 23 388 LEU . 26779 1 24 389 GLN . 26779 1 25 390 THR . 26779 1 26 391 VAL . 26779 1 27 392 ASP . 26779 1 28 393 GLY . 26779 1 29 394 LYS . 26779 1 30 395 HIS . 26779 1 31 396 GLN . 26779 1 32 397 ASP . 26779 1 33 398 LEU . 26779 1 34 399 LYS . 26779 1 35 400 TYR . 26779 1 36 401 ILE . 26779 1 37 402 SER . 26779 1 38 403 PRO . 26779 1 39 404 GLU . 26779 1 40 405 THR . 26779 1 41 406 MET . 26779 1 42 407 VAL . 26779 1 43 408 ALA . 26779 1 44 409 LEU . 26779 1 45 410 LEU . 26779 1 46 411 THR . 26779 1 47 412 GLY . 26779 1 48 413 LYS . 26779 1 49 414 PHE . 26779 1 50 415 SER . 26779 1 51 416 ASN . 26779 1 52 417 ILE . 26779 1 53 418 VAL . 26779 1 54 419 ASP . 26779 1 55 420 LYS . 26779 1 56 421 PHE . 26779 1 57 422 VAL . 26779 1 58 423 ILE . 26779 1 59 424 VAL . 26779 1 60 425 ASP . 26779 1 61 426 CYS . 26779 1 62 427 ARG . 26779 1 63 428 TYR . 26779 1 64 429 PRO . 26779 1 65 430 TYR . 26779 1 66 431 GLU . 26779 1 67 432 TYR . 26779 1 68 433 GLU . 26779 1 69 434 GLY . 26779 1 70 435 GLY . 26779 1 71 436 HIS . 26779 1 72 437 ILE . 26779 1 73 438 LYS . 26779 1 74 439 THR . 26779 1 75 440 ALA . 26779 1 76 441 VAL . 26779 1 77 442 ASN . 26779 1 78 443 LEU . 26779 1 79 444 PRO . 26779 1 80 445 LEU . 26779 1 81 446 GLU . 26779 1 82 447 ARG . 26779 1 83 448 ASP . 26779 1 84 449 ALA . 26779 1 85 450 GLU . 26779 1 86 451 SER . 26779 1 87 452 PHE . 26779 1 88 453 LEU . 26779 1 89 454 LEU . 26779 1 90 455 LYS . 26779 1 91 456 SER . 26779 1 92 457 PRO . 26779 1 93 458 ILE . 26779 1 94 459 ALA . 26779 1 95 460 PRO . 26779 1 96 461 CYS . 26779 1 97 462 SER . 26779 1 98 463 LEU . 26779 1 99 464 ASP . 26779 1 100 465 LYS . 26779 1 101 466 ARG . 26779 1 102 467 VAL . 26779 1 103 468 ILE . 26779 1 104 469 LEU . 26779 1 105 470 ILE . 26779 1 106 471 PHE . 26779 1 107 472 HIS . 26779 1 108 473 CYS . 26779 1 109 474 GLU . 26779 1 110 475 PHE . 26779 1 111 476 SER . 26779 1 112 477 SER . 26779 1 113 478 GLU . 26779 1 114 479 ARG . 26779 1 115 480 GLY . 26779 1 116 481 PRO . 26779 1 117 482 ARG . 26779 1 118 483 MET . 26779 1 119 484 CYS . 26779 1 120 485 ARG . 26779 1 121 486 PHE . 26779 1 122 487 ILE . 26779 1 123 488 ARG . 26779 1 124 489 GLU . 26779 1 125 490 ARG . 26779 1 126 491 ASP . 26779 1 127 492 ARG . 26779 1 128 493 ALA . 26779 1 129 494 VAL . 26779 1 130 495 ASN . 26779 1 131 496 ASP . 26779 1 132 497 TYR . 26779 1 133 498 PRO . 26779 1 134 499 SER . 26779 1 135 500 LEU . 26779 1 136 501 TYR . 26779 1 137 502 TYR . 26779 1 138 503 PRO . 26779 1 139 504 GLU . 26779 1 140 505 MET . 26779 1 141 506 TYR . 26779 1 142 507 ILE . 26779 1 143 508 LEU . 26779 1 144 509 LYS . 26779 1 145 510 GLY . 26779 1 146 511 GLY . 26779 1 147 512 TYR . 26779 1 148 513 LYS . 26779 1 149 514 GLU . 26779 1 150 515 PHE . 26779 1 151 516 PHE . 26779 1 152 517 PRO . 26779 1 153 518 GLN . 26779 1 154 519 HIS . 26779 1 155 520 PRO . 26779 1 156 521 ASN . 26779 1 157 522 PHE . 26779 1 158 523 CYS . 26779 1 159 524 GLU . 26779 1 160 525 PRO . 26779 1 161 526 GLN . 26779 1 162 527 ASP . 26779 1 163 528 TYR . 26779 1 164 529 ARG . 26779 1 165 530 PRO . 26779 1 166 531 MET . 26779 1 167 532 ASN . 26779 1 168 533 HIS . 26779 1 169 534 GLU . 26779 1 170 535 ALA . 26779 1 171 536 PHE . 26779 1 172 537 LYS . 26779 1 173 538 ASP . 26779 1 174 539 GLU . 26779 1 175 540 LEU . 26779 1 176 541 LYS . 26779 1 177 542 THR . 26779 1 178 543 PHE . 26779 1 179 544 ARG . 26779 1 180 545 LEU . 26779 1 181 546 LYS . 26779 1 182 547 THR . 26779 1 183 548 ARG . 26779 1 184 549 SER . 26779 1 185 550 TRP . 26779 1 186 551 ALA . 26779 1 187 552 GLY . 26779 1 188 553 GLU . 26779 1 189 554 ARG . 26779 1 190 555 SER . 26779 1 191 556 ARG . 26779 1 192 557 ARG . 26779 1 193 558 GLU . 26779 1 194 559 LEU . 26779 1 195 560 CYS . 26779 1 196 561 SER . 26779 1 197 562 ARG . 26779 1 198 563 LEU . 26779 1 199 564 GLN . 26779 1 200 565 ASP . 26779 1 201 566 GLN . 26779 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 26779 1 . SER 2 2 26779 1 . HIS 3 3 26779 1 . MET 4 4 26779 1 . GLU 5 5 26779 1 . PHE 6 6 26779 1 . GLN 7 7 26779 1 . SER 8 8 26779 1 . ASP 9 9 26779 1 . HIS 10 10 26779 1 . ARG 11 11 26779 1 . GLU 12 12 26779 1 . LEU 13 13 26779 1 . ILE 14 14 26779 1 . GLY 15 15 26779 1 . ASP 16 16 26779 1 . TYR 17 17 26779 1 . SER 18 18 26779 1 . LYS 19 19 26779 1 . ALA 20 20 26779 1 . PHE 21 21 26779 1 . LEU 22 22 26779 1 . LEU 23 23 26779 1 . GLN 24 24 26779 1 . THR 25 25 26779 1 . VAL 26 26 26779 1 . ASP 27 27 26779 1 . GLY 28 28 26779 1 . LYS 29 29 26779 1 . HIS 30 30 26779 1 . GLN 31 31 26779 1 . ASP 32 32 26779 1 . LEU 33 33 26779 1 . LYS 34 34 26779 1 . TYR 35 35 26779 1 . ILE 36 36 26779 1 . SER 37 37 26779 1 . PRO 38 38 26779 1 . GLU 39 39 26779 1 . THR 40 40 26779 1 . MET 41 41 26779 1 . VAL 42 42 26779 1 . ALA 43 43 26779 1 . LEU 44 44 26779 1 . LEU 45 45 26779 1 . THR 46 46 26779 1 . GLY 47 47 26779 1 . LYS 48 48 26779 1 . PHE 49 49 26779 1 . SER 50 50 26779 1 . ASN 51 51 26779 1 . ILE 52 52 26779 1 . VAL 53 53 26779 1 . ASP 54 54 26779 1 . LYS 55 55 26779 1 . PHE 56 56 26779 1 . VAL 57 57 26779 1 . ILE 58 58 26779 1 . VAL 59 59 26779 1 . ASP 60 60 26779 1 . CYS 61 61 26779 1 . ARG 62 62 26779 1 . TYR 63 63 26779 1 . PRO 64 64 26779 1 . TYR 65 65 26779 1 . GLU 66 66 26779 1 . TYR 67 67 26779 1 . GLU 68 68 26779 1 . GLY 69 69 26779 1 . GLY 70 70 26779 1 . HIS 71 71 26779 1 . ILE 72 72 26779 1 . LYS 73 73 26779 1 . THR 74 74 26779 1 . ALA 75 75 26779 1 . VAL 76 76 26779 1 . ASN 77 77 26779 1 . LEU 78 78 26779 1 . PRO 79 79 26779 1 . LEU 80 80 26779 1 . GLU 81 81 26779 1 . ARG 82 82 26779 1 . ASP 83 83 26779 1 . ALA 84 84 26779 1 . GLU 85 85 26779 1 . SER 86 86 26779 1 . PHE 87 87 26779 1 . LEU 88 88 26779 1 . LEU 89 89 26779 1 . LYS 90 90 26779 1 . SER 91 91 26779 1 . PRO 92 92 26779 1 . ILE 93 93 26779 1 . ALA 94 94 26779 1 . PRO 95 95 26779 1 . CYS 96 96 26779 1 . SER 97 97 26779 1 . LEU 98 98 26779 1 . ASP 99 99 26779 1 . LYS 100 100 26779 1 . ARG 101 101 26779 1 . VAL 102 102 26779 1 . ILE 103 103 26779 1 . LEU 104 104 26779 1 . ILE 105 105 26779 1 . PHE 106 106 26779 1 . HIS 107 107 26779 1 . CYS 108 108 26779 1 . GLU 109 109 26779 1 . PHE 110 110 26779 1 . SER 111 111 26779 1 . SER 112 112 26779 1 . GLU 113 113 26779 1 . ARG 114 114 26779 1 . GLY 115 115 26779 1 . PRO 116 116 26779 1 . ARG 117 117 26779 1 . MET 118 118 26779 1 . CYS 119 119 26779 1 . ARG 120 120 26779 1 . PHE 121 121 26779 1 . ILE 122 122 26779 1 . ARG 123 123 26779 1 . GLU 124 124 26779 1 . ARG 125 125 26779 1 . ASP 126 126 26779 1 . ARG 127 127 26779 1 . ALA 128 128 26779 1 . VAL 129 129 26779 1 . ASN 130 130 26779 1 . ASP 131 131 26779 1 . TYR 132 132 26779 1 . PRO 133 133 26779 1 . SER 134 134 26779 1 . LEU 135 135 26779 1 . TYR 136 136 26779 1 . TYR 137 137 26779 1 . PRO 138 138 26779 1 . GLU 139 139 26779 1 . MET 140 140 26779 1 . TYR 141 141 26779 1 . ILE 142 142 26779 1 . LEU 143 143 26779 1 . LYS 144 144 26779 1 . GLY 145 145 26779 1 . GLY 146 146 26779 1 . TYR 147 147 26779 1 . LYS 148 148 26779 1 . GLU 149 149 26779 1 . PHE 150 150 26779 1 . PHE 151 151 26779 1 . PRO 152 152 26779 1 . GLN 153 153 26779 1 . HIS 154 154 26779 1 . PRO 155 155 26779 1 . ASN 156 156 26779 1 . PHE 157 157 26779 1 . CYS 158 158 26779 1 . GLU 159 159 26779 1 . PRO 160 160 26779 1 . GLN 161 161 26779 1 . ASP 162 162 26779 1 . TYR 163 163 26779 1 . ARG 164 164 26779 1 . PRO 165 165 26779 1 . MET 166 166 26779 1 . ASN 167 167 26779 1 . HIS 168 168 26779 1 . GLU 169 169 26779 1 . ALA 170 170 26779 1 . PHE 171 171 26779 1 . LYS 172 172 26779 1 . ASP 173 173 26779 1 . GLU 174 174 26779 1 . LEU 175 175 26779 1 . LYS 176 176 26779 1 . THR 177 177 26779 1 . PHE 178 178 26779 1 . ARG 179 179 26779 1 . LEU 180 180 26779 1 . LYS 181 181 26779 1 . THR 182 182 26779 1 . ARG 183 183 26779 1 . SER 184 184 26779 1 . TRP 185 185 26779 1 . ALA 186 186 26779 1 . GLY 187 187 26779 1 . GLU 188 188 26779 1 . ARG 189 189 26779 1 . SER 190 190 26779 1 . ARG 191 191 26779 1 . ARG 192 192 26779 1 . GLU 193 193 26779 1 . LEU 194 194 26779 1 . CYS 195 195 26779 1 . SER 196 196 26779 1 . ARG 197 197 26779 1 . LEU 198 198 26779 1 . GLN 199 199 26779 1 . ASP 200 200 26779 1 . GLN 201 201 26779 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26779 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Cdc25B . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26779 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 26779 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Cdc25B . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . p28a . . . 26779 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26779 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Used for assignment and relaxation experiments' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Cdc25B '[U-100% 13C; U-100% 15N]' . . 1 $Cdc25B . . 0.15 0.1 0.2 mM . . . . 26779 1 2 D2O [U-2H] . . . . . . 5 . . % . . . . 26779 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 26779 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 26779 1 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 26779 1 6 beta-mercaptoethanol 'natural abundance' . . . . . . 2 . . mM . . . . 26779 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26779 _Sample.ID 2 _Sample.Type 'liquid crystal' _Sample.Sub_type . _Sample.Details 'RDC measurement' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Cdc25B '[U-100% 13C; U-100% 15N]' . . 1 $Cdc25B . . 0.1 . . mM . . . . 26779 2 2 D2O [U-2H] . . . . . . 5 . . % . . . . 26779 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 26779 2 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 26779 2 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 26779 2 6 beta-mercaptoethanol 'natural abundance' . . . . . . 2 . . mM . . . . 26779 2 7 n-hexanol 'natural abundance' . . . . . . 7.4 . . uL . . . . 26779 2 8 'PEG C12E5' 'natural abundance' . . . . . . 5 . . % . . . . 26779 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26779 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.105 . M 26779 1 pH 6.75 . pH 26779 1 pressure 1 . atm 26779 1 temperature 298 . K 26779 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26779 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26779 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26779 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26779 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26779 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26779 2 processing 26779 2 stop_ save_ save_ModelFree _Software.Sf_category software _Software.Sf_framecode ModelFree _Software.Entry_ID 26779 _Software.ID 3 _Software.Name ModelFree _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Palmer . . 26779 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26779 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 26779 _Software.ID 4 _Software.Name AutoAssign _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 26779 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26779 4 'peak picking' 26779 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26779 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26779 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 26779 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 26779 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26779 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26779 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26779 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26779 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26779 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26779 1 7 '2D 1H-15N HSQC IPAP' no . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26779 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26779 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26779 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26779 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26779 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26779 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; Re-referenced chemical shifts by Zhang et al method(J Biomol NMR 2003;25:173-195) http://shiftcor.wishartlab.com/ ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26779 1 2 '3D HNCA' . . . 26779 1 3 '3D HNCO' . . . 26779 1 4 '3D HNCACB' . . . 26779 1 5 '3D CBCA(CO)NH' . . . 26779 1 6 '3D HN(CO)CA' . . . 26779 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 HIS C C 13 175.142 0.000 . 1 . . . . 368 HIS C . 26779 1 2 . 1 1 3 3 HIS CA C 13 56.556 0.000 . 1 . . . . 368 HIS CA . 26779 1 3 . 1 1 3 3 HIS CB C 13 30.030 0.000 . 1 . . . . 368 HIS CB . 26779 1 4 . 1 1 4 4 MET H H 1 8.278 0.006 . 1 . . . . 369 MET H . 26779 1 5 . 1 1 4 4 MET C C 13 175.841 0.070 . 1 . . . . 369 MET C . 26779 1 6 . 1 1 4 4 MET CA C 13 55.614 0.019 . 1 . . . . 369 MET CA . 26779 1 7 . 1 1 4 4 MET CB C 13 32.519 0.055 . 1 . . . . 369 MET CB . 26779 1 8 . 1 1 4 4 MET N N 15 121.610 0.081 . 1 . . . . 369 MET N . 26779 1 9 . 1 1 5 5 GLU H H 1 8.375 0.002 . 1 . . . . 370 GLU H . 26779 1 10 . 1 1 5 5 GLU C C 13 176.091 0.033 . 1 . . . . 370 GLU C . 26779 1 11 . 1 1 5 5 GLU CA C 13 56.795 0.022 . 1 . . . . 370 GLU CA . 26779 1 12 . 1 1 5 5 GLU CB C 13 29.957 0.010 . 1 . . . . 370 GLU CB . 26779 1 13 . 1 1 5 5 GLU N N 15 121.998 0.045 . 1 . . . . 370 GLU N . 26779 1 14 . 1 1 6 6 PHE H H 1 8.225 0.002 . 1 . . . . 371 PHE H . 26779 1 15 . 1 1 6 6 PHE C C 13 175.729 0.042 . 1 . . . . 371 PHE C . 26779 1 16 . 1 1 6 6 PHE CA C 13 57.894 0.017 . 1 . . . . 371 PHE CA . 26779 1 17 . 1 1 6 6 PHE CB C 13 39.343 0.011 . 1 . . . . 371 PHE CB . 26779 1 18 . 1 1 6 6 PHE N N 15 120.714 0.048 . 1 . . . . 371 PHE N . 26779 1 19 . 1 1 7 7 GLN H H 1 8.288 0.001 . 1 . . . . 372 GLN H . 26779 1 20 . 1 1 7 7 GLN C C 13 175.759 0.024 . 1 . . . . 372 GLN C . 26779 1 21 . 1 1 7 7 GLN CA C 13 55.821 0.011 . 1 . . . . 372 GLN CA . 26779 1 22 . 1 1 7 7 GLN CB C 13 29.311 0.020 . 1 . . . . 372 GLN CB . 26779 1 23 . 1 1 7 7 GLN N N 15 121.886 0.026 . 1 . . . . 372 GLN N . 26779 1 24 . 1 1 8 8 SER H H 1 8.319 0.002 . 1 . . . . 373 SER H . 26779 1 25 . 1 1 8 8 SER C C 13 174.213 0.034 . 1 . . . . 373 SER C . 26779 1 26 . 1 1 8 8 SER CA C 13 58.821 0.006 . 1 . . . . 373 SER CA . 26779 1 27 . 1 1 8 8 SER CB C 13 64.091 0.031 . 1 . . . . 373 SER CB . 26779 1 28 . 1 1 8 8 SER N N 15 117.036 0.034 . 1 . . . . 373 SER N . 26779 1 29 . 1 1 9 9 ASP H H 1 8.382 0.002 . 1 . . . . 374 ASP H . 26779 1 30 . 1 1 9 9 ASP C C 13 176.124 0.022 . 1 . . . . 374 ASP C . 26779 1 31 . 1 1 9 9 ASP CA C 13 54.406 0.010 . 1 . . . . 374 ASP CA . 26779 1 32 . 1 1 9 9 ASP CB C 13 41.101 0.024 . 1 . . . . 374 ASP CB . 26779 1 33 . 1 1 9 9 ASP N N 15 121.901 0.102 . 1 . . . . 374 ASP N . 26779 1 34 . 1 1 10 10 HIS H H 1 8.351 0.006 . 1 . . . . 375 HIS H . 26779 1 35 . 1 1 10 10 HIS C C 13 175.452 0.033 . 1 . . . . 375 HIS C . 26779 1 36 . 1 1 10 10 HIS CA C 13 56.531 0.009 . 1 . . . . 375 HIS CA . 26779 1 37 . 1 1 10 10 HIS CB C 13 29.752 0.000 . 1 . . . . 375 HIS CB . 26779 1 38 . 1 1 10 10 HIS N N 15 119.946 0.045 . 1 . . . . 375 HIS N . 26779 1 39 . 1 1 11 11 ARG H H 1 8.228 0.001 . 1 . . . . 376 ARG H . 26779 1 40 . 1 1 11 11 ARG C C 13 176.133 0.043 . 1 . . . . 376 ARG C . 26779 1 41 . 1 1 11 11 ARG CA C 13 56.642 0.006 . 1 . . . . 376 ARG CA . 26779 1 42 . 1 1 11 11 ARG CB C 13 30.597 0.071 . 1 . . . . 376 ARG CB . 26779 1 43 . 1 1 11 11 ARG N N 15 121.459 0.025 . 1 . . . . 376 ARG N . 26779 1 44 . 1 1 12 12 GLU H H 1 8.724 0.003 . 1 . . . . 377 GLU H . 26779 1 45 . 1 1 12 12 GLU C C 13 175.838 0.000 . 1 . . . . 377 GLU C . 26779 1 46 . 1 1 12 12 GLU CA C 13 56.559 0.000 . 1 . . . . 377 GLU CA . 26779 1 47 . 1 1 12 12 GLU CB C 13 30.319 0.000 . 1 . . . . 377 GLU CB . 26779 1 48 . 1 1 12 12 GLU N N 15 121.250 0.028 . 1 . . . . 377 GLU N . 26779 1 49 . 1 1 23 23 LEU C C 13 176.530 0.000 . 1 . . . . 388 LEU C . 26779 1 50 . 1 1 23 23 LEU CA C 13 53.444 0.030 . 1 . . . . 388 LEU CA . 26779 1 51 . 1 1 24 24 GLN H H 1 8.512 0.003 . 1 . . . . 389 GLN H . 26779 1 52 . 1 1 24 24 GLN C C 13 176.327 0.000 . 1 . . . . 389 GLN C . 26779 1 53 . 1 1 24 24 GLN CA C 13 56.508 0.020 . 1 . . . . 389 GLN CA . 26779 1 54 . 1 1 24 24 GLN CB C 13 28.764 0.110 . 1 . . . . 389 GLN CB . 26779 1 55 . 1 1 24 24 GLN N N 15 120.643 0.039 . 1 . . . . 389 GLN N . 26779 1 56 . 1 1 25 25 THR H H 1 8.090 0.001 . 1 . . . . 390 THR H . 26779 1 57 . 1 1 25 25 THR C C 13 175.315 0.004 . 1 . . . . 390 THR C . 26779 1 58 . 1 1 25 25 THR CA C 13 59.627 0.064 . 1 . . . . 390 THR CA . 26779 1 59 . 1 1 25 25 THR CB C 13 71.743 0.005 . 1 . . . . 390 THR CB . 26779 1 60 . 1 1 25 25 THR N N 15 114.845 0.056 . 1 . . . . 390 THR N . 26779 1 61 . 1 1 26 26 VAL H H 1 8.349 0.002 . 1 . . . . 391 VAL H . 26779 1 62 . 1 1 26 26 VAL C C 13 175.069 0.022 . 1 . . . . 391 VAL C . 26779 1 63 . 1 1 26 26 VAL CA C 13 58.751 0.034 . 1 . . . . 391 VAL CA . 26779 1 64 . 1 1 26 26 VAL CB C 13 34.551 0.032 . 1 . . . . 391 VAL CB . 26779 1 65 . 1 1 26 26 VAL N N 15 113.659 0.041 . 1 . . . . 391 VAL N . 26779 1 66 . 1 1 27 27 ASP H H 1 8.361 0.001 . 1 . . . . 392 ASP H . 26779 1 67 . 1 1 27 27 ASP C C 13 175.384 0.055 . 1 . . . . 392 ASP C . 26779 1 68 . 1 1 27 27 ASP CA C 13 55.279 0.016 . 1 . . . . 392 ASP CA . 26779 1 69 . 1 1 27 27 ASP CB C 13 41.397 0.037 . 1 . . . . 392 ASP CB . 26779 1 70 . 1 1 27 27 ASP N N 15 121.281 0.061 . 1 . . . . 392 ASP N . 26779 1 71 . 1 1 28 28 GLY H H 1 7.740 0.001 . 1 . . . . 393 GLY H . 26779 1 72 . 1 1 28 28 GLY C C 13 173.720 0.009 . 1 . . . . 393 GLY C . 26779 1 73 . 1 1 28 28 GLY CA C 13 43.101 0.010 . 1 . . . . 393 GLY CA . 26779 1 74 . 1 1 28 28 GLY N N 15 108.486 0.046 . 1 . . . . 393 GLY N . 26779 1 75 . 1 1 29 29 LYS H H 1 7.726 0.002 . 1 . . . . 394 LYS H . 26779 1 76 . 1 1 29 29 LYS C C 13 177.456 0.032 . 1 . . . . 394 LYS C . 26779 1 77 . 1 1 29 29 LYS CA C 13 59.354 0.017 . 1 . . . . 394 LYS CA . 26779 1 78 . 1 1 29 29 LYS CB C 13 32.819 0.094 . 1 . . . . 394 LYS CB . 26779 1 79 . 1 1 29 29 LYS N N 15 119.431 0.017 . 1 . . . . 394 LYS N . 26779 1 80 . 1 1 30 30 HIS H H 1 8.005 0.002 . 1 . . . . 395 HIS H . 26779 1 81 . 1 1 30 30 HIS C C 13 176.785 0.007 . 1 . . . . 395 HIS C . 26779 1 82 . 1 1 30 30 HIS CA C 13 55.658 0.010 . 1 . . . . 395 HIS CA . 26779 1 83 . 1 1 30 30 HIS CB C 13 30.357 0.035 . 1 . . . . 395 HIS CB . 26779 1 84 . 1 1 30 30 HIS N N 15 115.637 0.033 . 1 . . . . 395 HIS N . 26779 1 85 . 1 1 31 31 GLN H H 1 9.038 0.002 . 1 . . . . 396 GLN H . 26779 1 86 . 1 1 31 31 GLN C C 13 175.707 0.014 . 1 . . . . 396 GLN C . 26779 1 87 . 1 1 31 31 GLN CA C 13 58.045 0.025 . 1 . . . . 396 GLN CA . 26779 1 88 . 1 1 31 31 GLN CB C 13 28.434 0.024 . 1 . . . . 396 GLN CB . 26779 1 89 . 1 1 31 31 GLN N N 15 123.651 0.046 . 1 . . . . 396 GLN N . 26779 1 90 . 1 1 32 32 ASP H H 1 9.442 0.001 . 1 . . . . 397 ASP H . 26779 1 91 . 1 1 32 32 ASP C C 13 174.742 0.000 . 1 . . . . 397 ASP C . 26779 1 92 . 1 1 32 32 ASP CA C 13 53.715 0.007 . 1 . . . . 397 ASP CA . 26779 1 93 . 1 1 32 32 ASP CB C 13 39.273 0.037 . 1 . . . . 397 ASP CB . 26779 1 94 . 1 1 32 32 ASP N N 15 114.637 0.039 . 1 . . . . 397 ASP N . 26779 1 95 . 1 1 33 33 LEU H H 1 7.487 0.003 . 1 . . . . 398 LEU H . 26779 1 96 . 1 1 33 33 LEU C C 13 174.723 0.008 . 1 . . . . 398 LEU C . 26779 1 97 . 1 1 33 33 LEU CA C 13 52.998 0.005 . 1 . . . . 398 LEU CA . 26779 1 98 . 1 1 33 33 LEU CB C 13 43.246 0.033 . 1 . . . . 398 LEU CB . 26779 1 99 . 1 1 33 33 LEU N N 15 120.419 0.025 . 1 . . . . 398 LEU N . 26779 1 100 . 1 1 34 34 LYS H H 1 8.556 0.002 . 1 . . . . 399 LYS H . 26779 1 101 . 1 1 34 34 LYS C C 13 175.824 0.000 . 1 . . . . 399 LYS C . 26779 1 102 . 1 1 34 34 LYS CA C 13 52.689 0.022 . 1 . . . . 399 LYS CA . 26779 1 103 . 1 1 34 34 LYS N N 15 118.702 0.029 . 1 . . . . 399 LYS N . 26779 1 104 . 1 1 35 35 TYR H H 1 8.951 0.002 . 1 . . . . 400 TYR H . 26779 1 105 . 1 1 35 35 TYR C C 13 176.452 0.009 . 1 . . . . 400 TYR C . 26779 1 106 . 1 1 35 35 TYR CA C 13 56.573 0.023 . 1 . . . . 400 TYR CA . 26779 1 107 . 1 1 35 35 TYR CB C 13 40.996 0.011 . 1 . . . . 400 TYR CB . 26779 1 108 . 1 1 35 35 TYR N N 15 121.998 0.041 . 1 . . . . 400 TYR N . 26779 1 109 . 1 1 36 36 ILE H H 1 8.872 0.002 . 1 . . . . 401 ILE H . 26779 1 110 . 1 1 36 36 ILE C C 13 174.683 0.029 . 1 . . . . 401 ILE C . 26779 1 111 . 1 1 36 36 ILE CA C 13 58.569 0.045 . 1 . . . . 401 ILE CA . 26779 1 112 . 1 1 36 36 ILE CB C 13 42.240 0.054 . 1 . . . . 401 ILE CB . 26779 1 113 . 1 1 36 36 ILE N N 15 110.045 0.023 . 1 . . . . 401 ILE N . 26779 1 114 . 1 1 37 37 SER H H 1 8.818 0.002 . 1 . . . . 402 SER H . 26779 1 115 . 1 1 37 37 SER C C 13 174.393 0.000 . 1 . . . . 402 SER C . 26779 1 116 . 1 1 37 37 SER CA C 13 55.822 0.000 . 1 . . . . 402 SER CA . 26779 1 117 . 1 1 37 37 SER CB C 13 64.781 0.000 . 1 . . . . 402 SER CB . 26779 1 118 . 1 1 37 37 SER N N 15 116.791 0.032 . 1 . . . . 402 SER N . 26779 1 119 . 1 1 38 38 PRO C C 13 177.064 0.010 . 1 . . . . 403 PRO C . 26779 1 120 . 1 1 38 38 PRO CA C 13 66.139 0.016 . 1 . . . . 403 PRO CA . 26779 1 121 . 1 1 38 38 PRO CB C 13 31.959 0.009 . 1 . . . . 403 PRO CB . 26779 1 122 . 1 1 39 39 GLU H H 1 8.333 0.001 . 1 . . . . 404 GLU H . 26779 1 123 . 1 1 39 39 GLU C C 13 179.462 0.022 . 1 . . . . 404 GLU C . 26779 1 124 . 1 1 39 39 GLU CA C 13 60.134 0.020 . 1 . . . . 404 GLU CA . 26779 1 125 . 1 1 39 39 GLU CB C 13 28.583 0.010 . 1 . . . . 404 GLU CB . 26779 1 126 . 1 1 39 39 GLU N N 15 116.207 0.035 . 1 . . . . 404 GLU N . 26779 1 127 . 1 1 40 40 THR H H 1 7.899 0.003 . 1 . . . . 405 THR H . 26779 1 128 . 1 1 40 40 THR C C 13 175.278 0.035 . 1 . . . . 405 THR C . 26779 1 129 . 1 1 40 40 THR CA C 13 65.951 0.033 . 1 . . . . 405 THR CA . 26779 1 130 . 1 1 40 40 THR CB C 13 67.385 0.022 . 1 . . . . 405 THR CB . 26779 1 131 . 1 1 40 40 THR N N 15 121.736 0.040 . 1 . . . . 405 THR N . 26779 1 132 . 1 1 41 41 MET H H 1 7.763 0.002 . 1 . . . . 406 MET H . 26779 1 133 . 1 1 41 41 MET C C 13 177.632 0.001 . 1 . . . . 406 MET C . 26779 1 134 . 1 1 41 41 MET CA C 13 57.888 0.009 . 1 . . . . 406 MET CA . 26779 1 135 . 1 1 41 41 MET CB C 13 34.173 0.075 . 1 . . . . 406 MET CB . 26779 1 136 . 1 1 41 41 MET N N 15 121.696 0.041 . 1 . . . . 406 MET N . 26779 1 137 . 1 1 42 42 VAL H H 1 8.089 0.001 . 1 . . . . 407 VAL H . 26779 1 138 . 1 1 42 42 VAL C C 13 178.028 0.017 . 1 . . . . 407 VAL C . 26779 1 139 . 1 1 42 42 VAL CA C 13 66.877 0.036 . 1 . . . . 407 VAL CA . 26779 1 140 . 1 1 42 42 VAL CB C 13 30.655 0.164 . 1 . . . . 407 VAL CB . 26779 1 141 . 1 1 42 42 VAL N N 15 119.094 0.036 . 1 . . . . 407 VAL N . 26779 1 142 . 1 1 43 43 ALA H H 1 7.741 0.001 . 1 . . . . 408 ALA H . 26779 1 143 . 1 1 43 43 ALA C C 13 179.301 0.000 . 1 . . . . 408 ALA C . 26779 1 144 . 1 1 43 43 ALA CA C 13 55.387 0.037 . 1 . . . . 408 ALA CA . 26779 1 145 . 1 1 43 43 ALA CB C 13 17.716 0.023 . 1 . . . . 408 ALA CB . 26779 1 146 . 1 1 43 43 ALA N N 15 124.857 0.065 . 1 . . . . 408 ALA N . 26779 1 147 . 1 1 44 44 LEU H H 1 7.777 0.005 . 1 . . . . 409 LEU H . 26779 1 148 . 1 1 44 44 LEU C C 13 180.628 0.004 . 1 . . . . 409 LEU C . 26779 1 149 . 1 1 44 44 LEU CA C 13 58.077 0.058 . 1 . . . . 409 LEU CA . 26779 1 150 . 1 1 44 44 LEU CB C 13 40.333 0.015 . 1 . . . . 409 LEU CB . 26779 1 151 . 1 1 44 44 LEU N N 15 118.210 0.091 . 1 . . . . 409 LEU N . 26779 1 152 . 1 1 45 45 LEU H H 1 8.074 0.001 . 1 . . . . 410 LEU H . 26779 1 153 . 1 1 45 45 LEU C C 13 178.501 0.017 . 1 . . . . 410 LEU C . 26779 1 154 . 1 1 45 45 LEU CA C 13 58.030 0.017 . 1 . . . . 410 LEU CA . 26779 1 155 . 1 1 45 45 LEU CB C 13 42.500 0.039 . 1 . . . . 410 LEU CB . 26779 1 156 . 1 1 45 45 LEU N N 15 119.505 0.039 . 1 . . . . 410 LEU N . 26779 1 157 . 1 1 46 46 THR H H 1 8.006 0.003 . 1 . . . . 411 THR H . 26779 1 158 . 1 1 46 46 THR C C 13 175.582 0.010 . 1 . . . . 411 THR C . 26779 1 159 . 1 1 46 46 THR CA C 13 62.004 0.021 . 1 . . . . 411 THR CA . 26779 1 160 . 1 1 46 46 THR CB C 13 69.756 0.037 . 1 . . . . 411 THR CB . 26779 1 161 . 1 1 46 46 THR N N 15 107.314 0.039 . 1 . . . . 411 THR N . 26779 1 162 . 1 1 47 47 GLY H H 1 7.683 0.001 . 1 . . . . 412 GLY H . 26779 1 163 . 1 1 47 47 GLY C C 13 177.054 0.038 . 1 . . . . 412 GLY C . 26779 1 164 . 1 1 47 47 GLY CA C 13 46.708 0.017 . 1 . . . . 412 GLY CA . 26779 1 165 . 1 1 47 47 GLY N N 15 108.138 0.041 . 1 . . . . 412 GLY N . 26779 1 166 . 1 1 48 48 LYS H H 1 8.262 0.003 . 1 . . . . 413 LYS H . 26779 1 167 . 1 1 48 48 LYS C C 13 177.188 0.021 . 1 . . . . 413 LYS C . 26779 1 168 . 1 1 48 48 LYS CA C 13 58.032 0.020 . 1 . . . . 413 LYS CA . 26779 1 169 . 1 1 48 48 LYS CB C 13 30.992 0.010 . 1 . . . . 413 LYS CB . 26779 1 170 . 1 1 48 48 LYS N N 15 119.400 0.041 . 1 . . . . 413 LYS N . 26779 1 171 . 1 1 49 49 PHE H H 1 8.439 0.002 . 1 . . . . 414 PHE H . 26779 1 172 . 1 1 49 49 PHE C C 13 177.226 0.000 . 1 . . . . 414 PHE C . 26779 1 173 . 1 1 49 49 PHE CA C 13 56.641 0.017 . 1 . . . . 414 PHE CA . 26779 1 174 . 1 1 49 49 PHE N N 15 114.033 0.057 . 1 . . . . 414 PHE N . 26779 1 175 . 1 1 50 50 SER H H 1 7.680 0.002 . 1 . . . . 415 SER H . 26779 1 176 . 1 1 50 50 SER C C 13 174.348 0.000 . 1 . . . . 415 SER C . 26779 1 177 . 1 1 50 50 SER CA C 13 61.932 0.012 . 1 . . . . 415 SER CA . 26779 1 178 . 1 1 50 50 SER CB C 13 63.469 0.049 . 1 . . . . 415 SER CB . 26779 1 179 . 1 1 50 50 SER N N 15 117.924 0.042 . 1 . . . . 415 SER N . 26779 1 180 . 1 1 51 51 ASN H H 1 8.779 0.003 . 1 . . . . 416 ASN H . 26779 1 181 . 1 1 51 51 ASN C C 13 174.755 0.000 . 1 . . . . 416 ASN C . 26779 1 182 . 1 1 51 51 ASN CA C 13 55.248 0.000 . 1 . . . . 416 ASN CA . 26779 1 183 . 1 1 51 51 ASN CB C 13 37.326 0.003 . 1 . . . . 416 ASN CB . 26779 1 184 . 1 1 51 51 ASN N N 15 116.968 0.031 . 1 . . . . 416 ASN N . 26779 1 185 . 1 1 52 52 ILE C C 13 173.989 0.000 . 1 . . . . 417 ILE C . 26779 1 186 . 1 1 52 52 ILE CA C 13 61.676 0.000 . 1 . . . . 417 ILE CA . 26779 1 187 . 1 1 52 52 ILE CB C 13 41.234 0.000 . 1 . . . . 417 ILE CB . 26779 1 188 . 1 1 53 53 VAL H H 1 8.590 0.003 . 1 . . . . 418 VAL H . 26779 1 189 . 1 1 53 53 VAL C C 13 175.136 0.011 . 1 . . . . 418 VAL C . 26779 1 190 . 1 1 53 53 VAL CA C 13 62.088 0.000 . 1 . . . . 418 VAL CA . 26779 1 191 . 1 1 53 53 VAL CB C 13 31.495 0.000 . 1 . . . . 418 VAL CB . 26779 1 192 . 1 1 53 53 VAL N N 15 121.807 0.035 . 1 . . . . 418 VAL N . 26779 1 193 . 1 1 54 54 ASP H H 1 9.227 0.003 . 1 . . . . 419 ASP H . 26779 1 194 . 1 1 54 54 ASP N N 15 128.669 0.002 . 1 . . . . 419 ASP N . 26779 1 195 . 1 1 57 57 VAL C C 13 174.337 0.013 . 1 . . . . 422 VAL C . 26779 1 196 . 1 1 57 57 VAL CA C 13 60.647 0.000 . 1 . . . . 422 VAL CA . 26779 1 197 . 1 1 57 57 VAL CB C 13 33.966 0.039 . 1 . . . . 422 VAL CB . 26779 1 198 . 1 1 58 58 ILE H H 1 9.035 0.003 . 1 . . . . 423 ILE H . 26779 1 199 . 1 1 58 58 ILE C C 13 173.567 0.006 . 1 . . . . 423 ILE C . 26779 1 200 . 1 1 58 58 ILE CA C 13 60.426 0.011 . 1 . . . . 423 ILE CA . 26779 1 201 . 1 1 58 58 ILE CB C 13 38.632 0.071 . 1 . . . . 423 ILE CB . 26779 1 202 . 1 1 58 58 ILE N N 15 127.945 0.035 . 1 . . . . 423 ILE N . 26779 1 203 . 1 1 59 59 VAL H H 1 9.526 0.002 . 1 . . . . 424 VAL H . 26779 1 204 . 1 1 59 59 VAL C C 13 173.606 0.016 . 1 . . . . 424 VAL C . 26779 1 205 . 1 1 59 59 VAL CA C 13 61.724 0.024 . 1 . . . . 424 VAL CA . 26779 1 206 . 1 1 59 59 VAL CB C 13 31.264 0.038 . 1 . . . . 424 VAL CB . 26779 1 207 . 1 1 59 59 VAL N N 15 128.694 0.046 . 1 . . . . 424 VAL N . 26779 1 208 . 1 1 60 60 ASP H H 1 8.784 0.004 . 1 . . . . 425 ASP H . 26779 1 209 . 1 1 60 60 ASP C C 13 178.141 0.009 . 1 . . . . 425 ASP C . 26779 1 210 . 1 1 60 60 ASP CA C 13 52.510 0.074 . 1 . . . . 425 ASP CA . 26779 1 211 . 1 1 60 60 ASP CB C 13 41.279 0.066 . 1 . . . . 425 ASP CB . 26779 1 212 . 1 1 60 60 ASP N N 15 127.220 0.042 . 1 . . . . 425 ASP N . 26779 1 213 . 1 1 61 61 CYS H H 1 8.355 0.003 . 1 . . . . 426 CYS H . 26779 1 214 . 1 1 61 61 CYS C C 13 173.346 0.006 . 1 . . . . 426 CYS C . 26779 1 215 . 1 1 61 61 CYS CA C 13 58.449 0.003 . 1 . . . . 426 CYS CA . 26779 1 216 . 1 1 61 61 CYS CB C 13 27.594 0.075 . 1 . . . . 426 CYS CB . 26779 1 217 . 1 1 61 61 CYS N N 15 124.518 0.069 . 1 . . . . 426 CYS N . 26779 1 218 . 1 1 62 62 ARG H H 1 7.713 0.004 . 1 . . . . 427 ARG H . 26779 1 219 . 1 1 62 62 ARG C C 13 173.899 0.026 . 1 . . . . 427 ARG C . 26779 1 220 . 1 1 62 62 ARG CA C 13 54.938 0.031 . 1 . . . . 427 ARG CA . 26779 1 221 . 1 1 62 62 ARG CB C 13 29.699 0.056 . 1 . . . . 427 ARG CB . 26779 1 222 . 1 1 62 62 ARG N N 15 117.337 0.039 . 1 . . . . 427 ARG N . 26779 1 223 . 1 1 63 63 TYR H H 1 7.675 0.002 . 1 . . . . 428 TYR H . 26779 1 224 . 1 1 63 63 TYR C C 13 175.340 0.000 . 1 . . . . 428 TYR C . 26779 1 225 . 1 1 63 63 TYR CA C 13 54.484 0.000 . 1 . . . . 428 TYR CA . 26779 1 226 . 1 1 63 63 TYR CB C 13 34.105 0.000 . 1 . . . . 428 TYR CB . 26779 1 227 . 1 1 63 63 TYR N N 15 118.039 0.083 . 1 . . . . 428 TYR N . 26779 1 228 . 1 1 64 64 PRO C C 13 178.439 0.000 . 1 . . . . 429 PRO C . 26779 1 229 . 1 1 64 64 PRO CA C 13 66.488 0.013 . 1 . . . . 429 PRO CA . 26779 1 230 . 1 1 64 64 PRO CB C 13 30.437 0.000 . 1 . . . . 429 PRO CB . 26779 1 231 . 1 1 65 65 TYR H H 1 7.136 0.002 . 1 . . . . 430 TYR H . 26779 1 232 . 1 1 65 65 TYR C C 13 178.194 0.023 . 1 . . . . 430 TYR C . 26779 1 233 . 1 1 65 65 TYR CA C 13 59.785 0.010 . 1 . . . . 430 TYR CA . 26779 1 234 . 1 1 65 65 TYR CB C 13 36.045 0.040 . 1 . . . . 430 TYR CB . 26779 1 235 . 1 1 65 65 TYR N N 15 110.322 0.025 . 1 . . . . 430 TYR N . 26779 1 236 . 1 1 66 66 GLU H H 1 6.233 0.001 . 1 . . . . 431 GLU H . 26779 1 237 . 1 1 66 66 GLU C C 13 178.320 0.010 . 1 . . . . 431 GLU C . 26779 1 238 . 1 1 66 66 GLU CA C 13 59.259 0.009 . 1 . . . . 431 GLU CA . 26779 1 239 . 1 1 66 66 GLU CB C 13 30.641 0.029 . 1 . . . . 431 GLU CB . 26779 1 240 . 1 1 66 66 GLU N N 15 123.187 0.027 . 1 . . . . 431 GLU N . 26779 1 241 . 1 1 67 67 TYR H H 1 7.066 0.002 . 1 . . . . 432 TYR H . 26779 1 242 . 1 1 67 67 TYR C C 13 179.597 0.000 . 1 . . . . 432 TYR C . 26779 1 243 . 1 1 67 67 TYR CA C 13 61.417 0.000 . 1 . . . . 432 TYR CA . 26779 1 244 . 1 1 67 67 TYR CB C 13 38.073 0.000 . 1 . . . . 432 TYR CB . 26779 1 245 . 1 1 67 67 TYR N N 15 120.710 0.039 . 1 . . . . 432 TYR N . 26779 1 246 . 1 1 68 68 GLU C C 13 177.407 0.003 . 1 . . . . 433 GLU C . 26779 1 247 . 1 1 68 68 GLU CA C 13 58.209 0.006 . 1 . . . . 433 GLU CA . 26779 1 248 . 1 1 68 68 GLU CB C 13 29.327 0.059 . 1 . . . . 433 GLU CB . 26779 1 249 . 1 1 69 69 GLY H H 1 7.030 0.002 . 1 . . . . 434 GLY H . 26779 1 250 . 1 1 69 69 GLY C C 13 171.492 0.008 . 1 . . . . 434 GLY C . 26779 1 251 . 1 1 69 69 GLY CA C 13 44.566 0.025 . 1 . . . . 434 GLY CA . 26779 1 252 . 1 1 69 69 GLY N N 15 103.770 0.036 . 1 . . . . 434 GLY N . 26779 1 253 . 1 1 70 70 GLY H H 1 6.554 0.001 . 1 . . . . 435 GLY H . 26779 1 254 . 1 1 70 70 GLY C C 13 172.135 0.000 . 1 . . . . 435 GLY C . 26779 1 255 . 1 1 70 70 GLY CA C 13 46.578 0.006 . 1 . . . . 435 GLY CA . 26779 1 256 . 1 1 70 70 GLY N N 15 106.388 0.073 . 1 . . . . 435 GLY N . 26779 1 257 . 1 1 71 71 HIS H H 1 7.627 0.001 . 1 . . . . 436 HIS H . 26779 1 258 . 1 1 71 71 HIS C C 13 172.081 0.016 . 1 . . . . 436 HIS C . 26779 1 259 . 1 1 71 71 HIS CA C 13 54.013 0.019 . 1 . . . . 436 HIS CA . 26779 1 260 . 1 1 71 71 HIS CB C 13 31.359 0.052 . 1 . . . . 436 HIS CB . 26779 1 261 . 1 1 71 71 HIS N N 15 123.823 0.045 . 1 . . . . 436 HIS N . 26779 1 262 . 1 1 72 72 ILE H H 1 10.685 0.003 . 1 . . . . 437 ILE H . 26779 1 263 . 1 1 72 72 ILE C C 13 177.479 0.000 . 1 . . . . 437 ILE C . 26779 1 264 . 1 1 72 72 ILE CA C 13 63.683 0.000 . 1 . . . . 437 ILE CA . 26779 1 265 . 1 1 72 72 ILE CB C 13 37.934 0.000 . 1 . . . . 437 ILE CB . 26779 1 266 . 1 1 72 72 ILE N N 15 123.844 0.033 . 1 . . . . 437 ILE N . 26779 1 267 . 1 1 73 73 LYS C C 13 177.711 0.019 . 1 . . . . 438 LYS C . 26779 1 268 . 1 1 73 73 LYS CA C 13 59.524 0.010 . 1 . . . . 438 LYS CA . 26779 1 269 . 1 1 73 73 LYS CB C 13 32.732 0.021 . 1 . . . . 438 LYS CB . 26779 1 270 . 1 1 74 74 THR H H 1 8.834 0.002 . 1 . . . . 439 THR H . 26779 1 271 . 1 1 74 74 THR C C 13 175.223 0.000 . 1 . . . . 439 THR C . 26779 1 272 . 1 1 74 74 THR CA C 13 65.937 0.003 . 1 . . . . 439 THR CA . 26779 1 273 . 1 1 74 74 THR CB C 13 69.419 0.044 . 1 . . . . 439 THR CB . 26779 1 274 . 1 1 74 74 THR N N 15 113.597 0.047 . 1 . . . . 439 THR N . 26779 1 275 . 1 1 75 75 ALA H H 1 8.737 0.001 . 1 . . . . 440 ALA H . 26779 1 276 . 1 1 75 75 ALA C C 13 177.939 0.007 . 1 . . . . 440 ALA C . 26779 1 277 . 1 1 75 75 ALA CA C 13 53.819 0.072 . 1 . . . . 440 ALA CA . 26779 1 278 . 1 1 75 75 ALA CB C 13 21.787 0.011 . 1 . . . . 440 ALA CB . 26779 1 279 . 1 1 75 75 ALA N N 15 125.739 0.038 . 1 . . . . 440 ALA N . 26779 1 280 . 1 1 76 76 VAL H H 1 9.086 0.002 . 1 . . . . 441 VAL H . 26779 1 281 . 1 1 76 76 VAL C C 13 173.704 0.019 . 1 . . . . 441 VAL C . 26779 1 282 . 1 1 76 76 VAL CA C 13 59.687 0.019 . 1 . . . . 441 VAL CA . 26779 1 283 . 1 1 76 76 VAL CB C 13 33.314 0.025 . 1 . . . . 441 VAL CB . 26779 1 284 . 1 1 76 76 VAL N N 15 121.160 0.052 . 1 . . . . 441 VAL N . 26779 1 285 . 1 1 77 77 ASN H H 1 8.536 0.002 . 1 . . . . 442 ASN H . 26779 1 286 . 1 1 77 77 ASN C C 13 173.313 0.002 . 1 . . . . 442 ASN C . 26779 1 287 . 1 1 77 77 ASN CA C 13 51.380 0.031 . 1 . . . . 442 ASN CA . 26779 1 288 . 1 1 77 77 ASN CB C 13 38.210 0.061 . 1 . . . . 442 ASN CB . 26779 1 289 . 1 1 77 77 ASN N N 15 124.657 0.029 . 1 . . . . 442 ASN N . 26779 1 290 . 1 1 78 78 LEU H H 1 7.122 0.003 . 1 . . . . 443 LEU H . 26779 1 291 . 1 1 78 78 LEU C C 13 170.923 0.000 . 1 . . . . 443 LEU C . 26779 1 292 . 1 1 78 78 LEU CA C 13 51.193 0.000 . 1 . . . . 443 LEU CA . 26779 1 293 . 1 1 78 78 LEU CB C 13 41.685 0.000 . 1 . . . . 443 LEU CB . 26779 1 294 . 1 1 78 78 LEU N N 15 124.244 0.034 . 1 . . . . 443 LEU N . 26779 1 295 . 1 1 79 79 PRO C C 13 177.066 0.045 . 1 . . . . 444 PRO C . 26779 1 296 . 1 1 79 79 PRO CA C 13 64.013 0.014 . 1 . . . . 444 PRO CA . 26779 1 297 . 1 1 79 79 PRO CB C 13 32.082 0.042 . 1 . . . . 444 PRO CB . 26779 1 298 . 1 1 80 80 LEU H H 1 7.500 0.002 . 1 . . . . 445 LEU H . 26779 1 299 . 1 1 80 80 LEU C C 13 177.994 0.011 . 1 . . . . 445 LEU C . 26779 1 300 . 1 1 80 80 LEU CA C 13 52.789 0.004 . 1 . . . . 445 LEU CA . 26779 1 301 . 1 1 80 80 LEU CB C 13 42.852 0.025 . 1 . . . . 445 LEU CB . 26779 1 302 . 1 1 80 80 LEU N N 15 114.920 0.045 . 1 . . . . 445 LEU N . 26779 1 303 . 1 1 81 81 GLU H H 1 9.274 0.002 . 1 . . . . 446 GLU H . 26779 1 304 . 1 1 81 81 GLU C C 13 178.457 0.002 . 1 . . . . 446 GLU C . 26779 1 305 . 1 1 81 81 GLU CA C 13 60.583 0.028 . 1 . . . . 446 GLU CA . 26779 1 306 . 1 1 81 81 GLU CB C 13 28.230 0.006 . 1 . . . . 446 GLU CB . 26779 1 307 . 1 1 81 81 GLU N N 15 125.171 0.043 . 1 . . . . 446 GLU N . 26779 1 308 . 1 1 82 82 ARG H H 1 8.489 0.003 . 1 . . . . 447 ARG H . 26779 1 309 . 1 1 82 82 ARG C C 13 179.180 0.005 . 1 . . . . 447 ARG C . 26779 1 310 . 1 1 82 82 ARG CA C 13 59.026 0.006 . 1 . . . . 447 ARG CA . 26779 1 311 . 1 1 82 82 ARG CB C 13 28.994 0.024 . 1 . . . . 447 ARG CB . 26779 1 312 . 1 1 82 82 ARG N N 15 115.415 0.036 . 1 . . . . 447 ARG N . 26779 1 313 . 1 1 83 83 ASP H H 1 6.977 0.003 . 1 . . . . 448 ASP H . 26779 1 314 . 1 1 83 83 ASP C C 13 178.607 0.014 . 1 . . . . 448 ASP C . 26779 1 315 . 1 1 83 83 ASP CA C 13 56.981 0.004 . 1 . . . . 448 ASP CA . 26779 1 316 . 1 1 83 83 ASP CB C 13 41.092 0.067 . 1 . . . . 448 ASP CB . 26779 1 317 . 1 1 83 83 ASP N N 15 118.919 0.036 . 1 . . . . 448 ASP N . 26779 1 318 . 1 1 84 84 ALA H H 1 8.213 0.001 . 1 . . . . 449 ALA H . 26779 1 319 . 1 1 84 84 ALA C C 13 179.279 0.009 . 1 . . . . 449 ALA C . 26779 1 320 . 1 1 84 84 ALA CA C 13 55.608 0.018 . 1 . . . . 449 ALA CA . 26779 1 321 . 1 1 84 84 ALA CB C 13 18.760 0.069 . 1 . . . . 449 ALA CB . 26779 1 322 . 1 1 84 84 ALA N N 15 123.323 0.038 . 1 . . . . 449 ALA N . 26779 1 323 . 1 1 85 85 GLU H H 1 9.073 0.003 . 1 . . . . 450 GLU H . 26779 1 324 . 1 1 85 85 GLU C C 13 179.059 0.082 . 1 . . . . 450 GLU C . 26779 1 325 . 1 1 85 85 GLU CA C 13 60.413 0.041 . 1 . . . . 450 GLU CA . 26779 1 326 . 1 1 85 85 GLU CB C 13 29.392 0.080 . 1 . . . . 450 GLU CB . 26779 1 327 . 1 1 85 85 GLU N N 15 118.473 0.056 . 1 . . . . 450 GLU N . 26779 1 328 . 1 1 86 86 SER H H 1 7.966 0.003 . 1 . . . . 451 SER H . 26779 1 329 . 1 1 86 86 SER C C 13 175.919 0.000 . 1 . . . . 451 SER C . 26779 1 330 . 1 1 86 86 SER CA C 13 61.965 0.004 . 1 . . . . 451 SER CA . 26779 1 331 . 1 1 86 86 SER CB C 13 63.201 0.071 . 1 . . . . 451 SER CB . 26779 1 332 . 1 1 86 86 SER N N 15 113.872 0.047 . 1 . . . . 451 SER N . 26779 1 333 . 1 1 87 87 PHE H H 1 8.269 0.002 . 1 . . . . 452 PHE H . 26779 1 334 . 1 1 87 87 PHE C C 13 176.767 0.026 . 1 . . . . 452 PHE C . 26779 1 335 . 1 1 87 87 PHE CA C 13 61.675 0.028 . 1 . . . . 452 PHE CA . 26779 1 336 . 1 1 87 87 PHE CB C 13 41.288 0.019 . 1 . . . . 452 PHE CB . 26779 1 337 . 1 1 87 87 PHE N N 15 119.647 0.076 . 1 . . . . 452 PHE N . 26779 1 338 . 1 1 88 88 LEU H H 1 8.277 0.002 . 1 . . . . 453 LEU H . 26779 1 339 . 1 1 88 88 LEU C C 13 179.010 0.039 . 1 . . . . 453 LEU C . 26779 1 340 . 1 1 88 88 LEU CA C 13 55.769 0.035 . 1 . . . . 453 LEU CA . 26779 1 341 . 1 1 88 88 LEU CB C 13 42.646 0.024 . 1 . . . . 453 LEU CB . 26779 1 342 . 1 1 88 88 LEU N N 15 111.838 0.041 . 1 . . . . 453 LEU N . 26779 1 343 . 1 1 89 89 LEU H H 1 8.270 0.002 . 1 . . . . 454 LEU H . 26779 1 344 . 1 1 89 89 LEU C C 13 176.617 0.018 . 1 . . . . 454 LEU C . 26779 1 345 . 1 1 89 89 LEU CA C 13 55.557 0.030 . 1 . . . . 454 LEU CA . 26779 1 346 . 1 1 89 89 LEU CB C 13 42.874 0.069 . 1 . . . . 454 LEU CB . 26779 1 347 . 1 1 89 89 LEU N N 15 117.074 0.044 . 1 . . . . 454 LEU N . 26779 1 348 . 1 1 90 90 LYS H H 1 7.291 0.002 . 1 . . . . 455 LYS H . 26779 1 349 . 1 1 90 90 LYS C C 13 177.296 0.009 . 1 . . . . 455 LYS C . 26779 1 350 . 1 1 90 90 LYS CA C 13 59.160 0.007 . 1 . . . . 455 LYS CA . 26779 1 351 . 1 1 90 90 LYS CB C 13 31.543 0.000 . 1 . . . . 455 LYS CB . 26779 1 352 . 1 1 90 90 LYS N N 15 120.833 0.041 . 1 . . . . 455 LYS N . 26779 1 353 . 1 1 91 91 SER H H 1 7.819 0.006 . 1 . . . . 456 SER H . 26779 1 354 . 1 1 91 91 SER CA C 13 54.590 0.000 . 1 . . . . 456 SER CA . 26779 1 355 . 1 1 91 91 SER CB C 13 63.130 0.000 . 1 . . . . 456 SER CB . 26779 1 356 . 1 1 91 91 SER N N 15 112.987 0.050 . 1 . . . . 456 SER N . 26779 1 357 . 1 1 103 103 ILE C C 13 173.768 0.000 . 1 . . . . 468 ILE C . 26779 1 358 . 1 1 103 103 ILE CA C 13 60.242 0.000 . 1 . . . . 468 ILE CA . 26779 1 359 . 1 1 103 103 ILE CB C 13 42.417 0.000 . 1 . . . . 468 ILE CB . 26779 1 360 . 1 1 104 104 LEU H H 1 7.553 0.003 . 1 . . . . 469 LEU H . 26779 1 361 . 1 1 104 104 LEU C C 13 175.653 0.000 . 1 . . . . 469 LEU C . 26779 1 362 . 1 1 104 104 LEU CA C 13 53.349 0.000 . 1 . . . . 469 LEU CA . 26779 1 363 . 1 1 104 104 LEU CB C 13 44.852 0.127 . 1 . . . . 469 LEU CB . 26779 1 364 . 1 1 104 104 LEU N N 15 121.566 0.050 . 1 . . . . 469 LEU N . 26779 1 365 . 1 1 105 105 ILE H H 1 8.904 0.003 . 1 . . . . 470 ILE H . 26779 1 366 . 1 1 105 105 ILE C C 13 173.979 0.013 . 1 . . . . 470 ILE C . 26779 1 367 . 1 1 105 105 ILE CA C 13 59.692 0.000 . 1 . . . . 470 ILE CA . 26779 1 368 . 1 1 105 105 ILE CB C 13 40.375 0.000 . 1 . . . . 470 ILE CB . 26779 1 369 . 1 1 105 105 ILE N N 15 122.208 0.052 . 1 . . . . 470 ILE N . 26779 1 370 . 1 1 106 106 PHE H H 1 9.652 0.002 . 1 . . . . 471 PHE H . 26779 1 371 . 1 1 106 106 PHE C C 13 176.534 0.018 . 1 . . . . 471 PHE C . 26779 1 372 . 1 1 106 106 PHE CA C 13 56.367 0.055 . 1 . . . . 471 PHE CA . 26779 1 373 . 1 1 106 106 PHE CB C 13 42.391 0.035 . 1 . . . . 471 PHE CB . 26779 1 374 . 1 1 106 106 PHE N N 15 123.692 0.091 . 1 . . . . 471 PHE N . 26779 1 375 . 1 1 107 107 HIS H H 1 9.028 0.003 . 1 . . . . 472 HIS H . 26779 1 376 . 1 1 107 107 HIS C C 13 170.904 0.037 . 1 . . . . 472 HIS C . 26779 1 377 . 1 1 107 107 HIS CA C 13 55.298 0.011 . 1 . . . . 472 HIS CA . 26779 1 378 . 1 1 107 107 HIS CB C 13 34.858 0.053 . 1 . . . . 472 HIS CB . 26779 1 379 . 1 1 107 107 HIS N N 15 113.855 0.020 . 1 . . . . 472 HIS N . 26779 1 380 . 1 1 108 108 CYS H H 1 7.464 0.002 . 1 . . . . 473 CYS H . 26779 1 381 . 1 1 108 108 CYS C C 13 177.081 0.000 . 1 . . . . 473 CYS C . 26779 1 382 . 1 1 108 108 CYS CA C 13 58.197 0.000 . 1 . . . . 473 CYS CA . 26779 1 383 . 1 1 108 108 CYS CB C 13 27.815 0.000 . 1 . . . . 473 CYS CB . 26779 1 384 . 1 1 108 108 CYS N N 15 120.301 0.025 . 1 . . . . 473 CYS N . 26779 1 385 . 1 1 116 116 PRO C C 13 176.475 0.008 . 1 . . . . 481 PRO C . 26779 1 386 . 1 1 116 116 PRO CA C 13 66.002 0.000 . 1 . . . . 481 PRO CA . 26779 1 387 . 1 1 116 116 PRO CB C 13 31.213 0.010 . 1 . . . . 481 PRO CB . 26779 1 388 . 1 1 117 117 ARG H H 1 7.768 0.002 . 1 . . . . 482 ARG H . 26779 1 389 . 1 1 117 117 ARG C C 13 179.162 0.004 . 1 . . . . 482 ARG C . 26779 1 390 . 1 1 117 117 ARG CA C 13 59.767 0.036 . 1 . . . . 482 ARG CA . 26779 1 391 . 1 1 117 117 ARG CB C 13 29.623 0.020 . 1 . . . . 482 ARG CB . 26779 1 392 . 1 1 117 117 ARG N N 15 115.515 0.050 . 1 . . . . 482 ARG N . 26779 1 393 . 1 1 118 118 MET H H 1 8.072 0.002 . 1 . . . . 483 MET H . 26779 1 394 . 1 1 118 118 MET C C 13 176.952 0.012 . 1 . . . . 483 MET C . 26779 1 395 . 1 1 118 118 MET CA C 13 57.110 0.038 . 1 . . . . 483 MET CA . 26779 1 396 . 1 1 118 118 MET CB C 13 31.607 0.002 . 1 . . . . 483 MET CB . 26779 1 397 . 1 1 118 118 MET N N 15 120.992 0.064 . 1 . . . . 483 MET N . 26779 1 398 . 1 1 119 119 CYS H H 1 7.812 0.003 . 1 . . . . 484 CYS H . 26779 1 399 . 1 1 119 119 CYS C C 13 176.389 0.013 . 1 . . . . 484 CYS C . 26779 1 400 . 1 1 119 119 CYS CA C 13 61.766 0.033 . 1 . . . . 484 CYS CA . 26779 1 401 . 1 1 119 119 CYS CB C 13 27.197 0.013 . 1 . . . . 484 CYS CB . 26779 1 402 . 1 1 119 119 CYS N N 15 119.738 0.057 . 1 . . . . 484 CYS N . 26779 1 403 . 1 1 120 120 ARG H H 1 7.763 0.001 . 1 . . . . 485 ARG H . 26779 1 404 . 1 1 120 120 ARG C C 13 178.814 0.033 . 1 . . . . 485 ARG C . 26779 1 405 . 1 1 120 120 ARG CA C 13 60.203 0.001 . 1 . . . . 485 ARG CA . 26779 1 406 . 1 1 120 120 ARG CB C 13 29.692 0.004 . 1 . . . . 485 ARG CB . 26779 1 407 . 1 1 120 120 ARG N N 15 116.319 0.039 . 1 . . . . 485 ARG N . 26779 1 408 . 1 1 121 121 PHE H H 1 8.160 0.001 . 1 . . . . 486 PHE H . 26779 1 409 . 1 1 121 121 PHE C C 13 176.390 0.002 . 1 . . . . 486 PHE C . 26779 1 410 . 1 1 121 121 PHE CA C 13 61.131 0.005 . 1 . . . . 486 PHE CA . 26779 1 411 . 1 1 121 121 PHE CB C 13 38.597 0.034 . 1 . . . . 486 PHE CB . 26779 1 412 . 1 1 121 121 PHE N N 15 121.751 0.041 . 1 . . . . 486 PHE N . 26779 1 413 . 1 1 122 122 ILE H H 1 8.337 0.001 . 1 . . . . 487 ILE H . 26779 1 414 . 1 1 122 122 ILE C C 13 177.343 0.000 . 1 . . . . 487 ILE C . 26779 1 415 . 1 1 122 122 ILE CB C 13 34.012 0.000 . 1 . . . . 487 ILE CB . 26779 1 416 . 1 1 122 122 ILE N N 15 118.893 0.036 . 1 . . . . 487 ILE N . 26779 1 417 . 1 1 123 123 ARG C C 13 177.729 0.000 . 1 . . . . 488 ARG C . 26779 1 418 . 1 1 123 123 ARG CA C 13 56.942 0.000 . 1 . . . . 488 ARG CA . 26779 1 419 . 1 1 123 123 ARG CB C 13 26.618 0.000 . 1 . . . . 488 ARG CB . 26779 1 420 . 1 1 124 124 GLU H H 1 8.057 0.002 . 1 . . . . 489 GLU H . 26779 1 421 . 1 1 124 124 GLU C C 13 180.437 0.003 . 1 . . . . 489 GLU C . 26779 1 422 . 1 1 124 124 GLU CA C 13 59.679 0.010 . 1 . . . . 489 GLU CA . 26779 1 423 . 1 1 124 124 GLU CB C 13 28.958 0.037 . 1 . . . . 489 GLU CB . 26779 1 424 . 1 1 124 124 GLU N N 15 119.394 0.044 . 1 . . . . 489 GLU N . 26779 1 425 . 1 1 125 125 ARG H H 1 8.051 0.001 . 1 . . . . 490 ARG H . 26779 1 426 . 1 1 125 125 ARG C C 13 177.581 0.022 . 1 . . . . 490 ARG C . 26779 1 427 . 1 1 125 125 ARG CA C 13 56.738 0.008 . 1 . . . . 490 ARG CA . 26779 1 428 . 1 1 125 125 ARG CB C 13 28.330 0.034 . 1 . . . . 490 ARG CB . 26779 1 429 . 1 1 125 125 ARG N N 15 119.245 0.022 . 1 . . . . 490 ARG N . 26779 1 430 . 1 1 126 126 ASP H H 1 8.847 0.002 . 1 . . . . 491 ASP H . 26779 1 431 . 1 1 126 126 ASP C C 13 180.200 0.084 . 1 . . . . 491 ASP C . 26779 1 432 . 1 1 126 126 ASP CA C 13 56.556 0.000 . 1 . . . . 491 ASP CA . 26779 1 433 . 1 1 126 126 ASP CB C 13 42.226 0.000 . 1 . . . . 491 ASP CB . 26779 1 434 . 1 1 126 126 ASP N N 15 121.830 0.035 . 1 . . . . 491 ASP N . 26779 1 435 . 1 1 127 127 ARG H H 1 8.555 0.003 . 1 . . . . 492 ARG H . 26779 1 436 . 1 1 127 127 ARG C C 13 179.499 0.000 . 1 . . . . 492 ARG C . 26779 1 437 . 1 1 127 127 ARG CA C 13 57.880 0.052 . 1 . . . . 492 ARG CA . 26779 1 438 . 1 1 127 127 ARG N N 15 116.521 0.059 . 1 . . . . 492 ARG N . 26779 1 439 . 1 1 128 128 ALA H H 1 7.660 0.002 . 1 . . . . 493 ALA H . 26779 1 440 . 1 1 128 128 ALA C C 13 179.899 0.000 . 1 . . . . 493 ALA C . 26779 1 441 . 1 1 128 128 ALA CA C 13 54.830 0.000 . 1 . . . . 493 ALA CA . 26779 1 442 . 1 1 128 128 ALA CB C 13 18.595 0.000 . 1 . . . . 493 ALA CB . 26779 1 443 . 1 1 128 128 ALA N N 15 118.966 0.032 . 1 . . . . 493 ALA N . 26779 1 444 . 1 1 129 129 VAL H H 1 7.439 0.000 . 1 . . . . 494 VAL H . 26779 1 445 . 1 1 129 129 VAL C C 13 174.886 0.000 . 1 . . . . 494 VAL C . 26779 1 446 . 1 1 129 129 VAL CA C 13 61.354 0.008 . 1 . . . . 494 VAL CA . 26779 1 447 . 1 1 129 129 VAL CB C 13 31.623 0.000 . 1 . . . . 494 VAL CB . 26779 1 448 . 1 1 129 129 VAL N N 15 109.091 0.000 . 1 . . . . 494 VAL N . 26779 1 449 . 1 1 130 130 ASN H H 1 7.134 0.002 . 1 . . . . 495 ASN H . 26779 1 450 . 1 1 130 130 ASN C C 13 174.807 0.002 . 1 . . . . 495 ASN C . 26779 1 451 . 1 1 130 130 ASN CA C 13 52.939 0.008 . 1 . . . . 495 ASN CA . 26779 1 452 . 1 1 130 130 ASN CB C 13 44.731 0.034 . 1 . . . . 495 ASN CB . 26779 1 453 . 1 1 130 130 ASN N N 15 120.403 0.021 . 1 . . . . 495 ASN N . 26779 1 454 . 1 1 131 131 ASP H H 1 8.825 0.002 . 1 . . . . 496 ASP H . 26779 1 455 . 1 1 131 131 ASP C C 13 175.216 0.045 . 1 . . . . 496 ASP C . 26779 1 456 . 1 1 131 131 ASP CA C 13 53.774 0.029 . 1 . . . . 496 ASP CA . 26779 1 457 . 1 1 131 131 ASP CB C 13 40.650 0.008 . 1 . . . . 496 ASP CB . 26779 1 458 . 1 1 131 131 ASP N N 15 120.512 0.059 . 1 . . . . 496 ASP N . 26779 1 459 . 1 1 132 132 TYR H H 1 8.856 0.001 . 1 . . . . 497 TYR H . 26779 1 460 . 1 1 132 132 TYR C C 13 175.329 0.000 . 1 . . . . 497 TYR C . 26779 1 461 . 1 1 132 132 TYR CA C 13 56.685 0.000 . 1 . . . . 497 TYR CA . 26779 1 462 . 1 1 132 132 TYR CB C 13 38.871 0.000 . 1 . . . . 497 TYR CB . 26779 1 463 . 1 1 132 132 TYR N N 15 128.127 0.038 . 1 . . . . 497 TYR N . 26779 1 464 . 1 1 141 141 TYR C C 13 174.422 0.000 . 1 . . . . 506 TYR C . 26779 1 465 . 1 1 141 141 TYR CA C 13 55.960 0.000 . 1 . . . . 506 TYR CA . 26779 1 466 . 1 1 141 141 TYR CB C 13 44.200 0.000 . 1 . . . . 506 TYR CB . 26779 1 467 . 1 1 142 142 ILE H H 1 9.470 0.003 . 1 . . . . 507 ILE H . 26779 1 468 . 1 1 142 142 ILE C C 13 176.700 0.020 . 1 . . . . 507 ILE C . 26779 1 469 . 1 1 142 142 ILE CA C 13 56.709 0.012 . 1 . . . . 507 ILE CA . 26779 1 470 . 1 1 142 142 ILE CB C 13 37.000 0.091 . 1 . . . . 507 ILE CB . 26779 1 471 . 1 1 142 142 ILE N N 15 120.295 0.063 . 1 . . . . 507 ILE N . 26779 1 472 . 1 1 143 143 LEU H H 1 7.795 0.003 . 1 . . . . 508 LEU H . 26779 1 473 . 1 1 143 143 LEU C C 13 175.128 0.032 . 1 . . . . 508 LEU C . 26779 1 474 . 1 1 143 143 LEU CA C 13 54.213 0.001 . 1 . . . . 508 LEU CA . 26779 1 475 . 1 1 143 143 LEU CB C 13 42.087 0.027 . 1 . . . . 508 LEU CB . 26779 1 476 . 1 1 143 143 LEU N N 15 125.153 0.046 . 1 . . . . 508 LEU N . 26779 1 477 . 1 1 144 144 LYS H H 1 9.722 0.003 . 1 . . . . 509 LYS H . 26779 1 478 . 1 1 144 144 LYS C C 13 177.019 0.026 . 1 . . . . 509 LYS C . 26779 1 479 . 1 1 144 144 LYS CA C 13 58.756 0.032 . 1 . . . . 509 LYS CA . 26779 1 480 . 1 1 144 144 LYS CB C 13 32.731 0.071 . 1 . . . . 509 LYS CB . 26779 1 481 . 1 1 144 144 LYS N N 15 136.831 0.034 . 1 . . . . 509 LYS N . 26779 1 482 . 1 1 145 145 GLY H H 1 9.589 0.002 . 1 . . . . 510 GLY H . 26779 1 483 . 1 1 145 145 GLY C C 13 174.392 0.007 . 1 . . . . 510 GLY C . 26779 1 484 . 1 1 145 145 GLY CA C 13 45.528 0.002 . 1 . . . . 510 GLY CA . 26779 1 485 . 1 1 145 145 GLY N N 15 118.147 0.022 . 1 . . . . 510 GLY N . 26779 1 486 . 1 1 146 146 GLY H H 1 7.474 0.003 . 1 . . . . 511 GLY H . 26779 1 487 . 1 1 146 146 GLY C C 13 172.754 0.019 . 1 . . . . 511 GLY C . 26779 1 488 . 1 1 146 146 GLY CA C 13 45.736 0.026 . 1 . . . . 511 GLY CA . 26779 1 489 . 1 1 146 146 GLY N N 15 101.821 0.009 . 1 . . . . 511 GLY N . 26779 1 490 . 1 1 147 147 TYR H H 1 8.343 0.002 . 1 . . . . 512 TYR H . 26779 1 491 . 1 1 147 147 TYR C C 13 175.489 0.024 . 1 . . . . 512 TYR C . 26779 1 492 . 1 1 147 147 TYR CA C 13 62.976 0.003 . 1 . . . . 512 TYR CA . 26779 1 493 . 1 1 147 147 TYR CB C 13 40.172 0.074 . 1 . . . . 512 TYR CB . 26779 1 494 . 1 1 147 147 TYR N N 15 121.456 0.086 . 1 . . . . 512 TYR N . 26779 1 495 . 1 1 148 148 LYS H H 1 8.932 0.003 . 1 . . . . 513 LYS H . 26779 1 496 . 1 1 148 148 LYS C C 13 177.479 0.019 . 1 . . . . 513 LYS C . 26779 1 497 . 1 1 148 148 LYS CA C 13 59.734 0.018 . 1 . . . . 513 LYS CA . 26779 1 498 . 1 1 148 148 LYS CB C 13 31.996 0.055 . 1 . . . . 513 LYS CB . 26779 1 499 . 1 1 148 148 LYS N N 15 115.547 0.040 . 1 . . . . 513 LYS N . 26779 1 500 . 1 1 149 149 GLU H H 1 6.673 0.001 . 1 . . . . 514 GLU H . 26779 1 501 . 1 1 149 149 GLU C C 13 177.193 0.012 . 1 . . . . 514 GLU C . 26779 1 502 . 1 1 149 149 GLU CA C 13 56.700 0.016 . 1 . . . . 514 GLU CA . 26779 1 503 . 1 1 149 149 GLU CB C 13 29.638 0.031 . 1 . . . . 514 GLU CB . 26779 1 504 . 1 1 149 149 GLU N N 15 111.406 0.035 . 1 . . . . 514 GLU N . 26779 1 505 . 1 1 150 150 PHE H H 1 7.462 0.002 . 1 . . . . 515 PHE H . 26779 1 506 . 1 1 150 150 PHE C C 13 175.774 0.002 . 1 . . . . 515 PHE C . 26779 1 507 . 1 1 150 150 PHE CA C 13 62.812 0.025 . 1 . . . . 515 PHE CA . 26779 1 508 . 1 1 150 150 PHE CB C 13 41.011 0.063 . 1 . . . . 515 PHE CB . 26779 1 509 . 1 1 150 150 PHE N N 15 121.173 0.026 . 1 . . . . 515 PHE N . 26779 1 510 . 1 1 151 151 PHE H H 1 7.831 0.001 . 1 . . . . 516 PHE H . 26779 1 511 . 1 1 151 151 PHE C C 13 172.513 0.000 . 1 . . . . 516 PHE C . 26779 1 512 . 1 1 151 151 PHE CA C 13 62.129 0.000 . 1 . . . . 516 PHE CA . 26779 1 513 . 1 1 151 151 PHE CB C 13 36.002 0.000 . 1 . . . . 516 PHE CB . 26779 1 514 . 1 1 151 151 PHE N N 15 117.748 0.043 . 1 . . . . 516 PHE N . 26779 1 515 . 1 1 152 152 PRO C C 13 178.343 0.009 . 1 . . . . 517 PRO C . 26779 1 516 . 1 1 152 152 PRO CA C 13 64.671 0.023 . 1 . . . . 517 PRO CA . 26779 1 517 . 1 1 152 152 PRO CB C 13 30.264 0.000 . 1 . . . . 517 PRO CB . 26779 1 518 . 1 1 153 153 GLN H H 1 6.385 0.002 . 1 . . . . 518 GLN H . 26779 1 519 . 1 1 153 153 GLN C C 13 175.298 0.018 . 1 . . . . 518 GLN C . 26779 1 520 . 1 1 153 153 GLN CA C 13 56.805 0.013 . 1 . . . . 518 GLN CA . 26779 1 521 . 1 1 153 153 GLN CB C 13 30.382 0.001 . 1 . . . . 518 GLN CB . 26779 1 522 . 1 1 153 153 GLN N N 15 111.973 0.039 . 1 . . . . 518 GLN N . 26779 1 523 . 1 1 154 154 HIS H H 1 7.201 0.002 . 1 . . . . 519 HIS H . 26779 1 524 . 1 1 154 154 HIS C C 13 172.927 0.000 . 1 . . . . 519 HIS C . 26779 1 525 . 1 1 154 154 HIS CA C 13 53.380 0.000 . 1 . . . . 519 HIS CA . 26779 1 526 . 1 1 154 154 HIS CB C 13 30.371 0.000 . 1 . . . . 519 HIS CB . 26779 1 527 . 1 1 154 154 HIS N N 15 115.340 0.024 . 1 . . . . 519 HIS N . 26779 1 528 . 1 1 155 155 PRO C C 13 178.297 0.006 . 1 . . . . 520 PRO C . 26779 1 529 . 1 1 155 155 PRO CA C 13 66.101 0.013 . 1 . . . . 520 PRO CA . 26779 1 530 . 1 1 155 155 PRO CB C 13 30.277 0.000 . 1 . . . . 520 PRO CB . 26779 1 531 . 1 1 156 156 ASN H H 1 8.389 0.001 . 1 . . . . 521 ASN H . 26779 1 532 . 1 1 156 156 ASN C C 13 175.919 0.001 . 1 . . . . 521 ASN C . 26779 1 533 . 1 1 156 156 ASN CA C 13 54.813 0.009 . 1 . . . . 521 ASN CA . 26779 1 534 . 1 1 156 156 ASN CB C 13 36.373 0.068 . 1 . . . . 521 ASN CB . 26779 1 535 . 1 1 156 156 ASN N N 15 111.435 0.034 . 1 . . . . 521 ASN N . 26779 1 536 . 1 1 157 157 PHE H H 1 8.000 0.001 . 1 . . . . 522 PHE H . 26779 1 537 . 1 1 157 157 PHE C C 13 173.105 0.019 . 1 . . . . 522 PHE C . 26779 1 538 . 1 1 157 157 PHE CA C 13 59.410 0.023 . 1 . . . . 522 PHE CA . 26779 1 539 . 1 1 157 157 PHE CB C 13 39.088 0.008 . 1 . . . . 522 PHE CB . 26779 1 540 . 1 1 157 157 PHE N N 15 117.888 0.032 . 1 . . . . 522 PHE N . 26779 1 541 . 1 1 158 158 CYS H H 1 7.795 0.001 . 1 . . . . 523 CYS H . 26779 1 542 . 1 1 158 158 CYS C C 13 172.596 0.013 . 1 . . . . 523 CYS C . 26779 1 543 . 1 1 158 158 CYS CA C 13 58.701 0.035 . 1 . . . . 523 CYS CA . 26779 1 544 . 1 1 158 158 CYS CB C 13 31.551 0.025 . 1 . . . . 523 CYS CB . 26779 1 545 . 1 1 158 158 CYS N N 15 119.448 0.037 . 1 . . . . 523 CYS N . 26779 1 546 . 1 1 159 159 GLU H H 1 9.355 0.002 . 1 . . . . 524 GLU H . 26779 1 547 . 1 1 159 159 GLU C C 13 175.819 0.000 . 1 . . . . 524 GLU C . 26779 1 548 . 1 1 159 159 GLU CA C 13 54.099 0.000 . 1 . . . . 524 GLU CA . 26779 1 549 . 1 1 159 159 GLU CB C 13 33.499 0.000 . 1 . . . . 524 GLU CB . 26779 1 550 . 1 1 159 159 GLU N N 15 122.118 0.053 . 1 . . . . 524 GLU N . 26779 1 551 . 1 1 160 160 PRO C C 13 175.935 0.005 . 1 . . . . 525 PRO C . 26779 1 552 . 1 1 160 160 PRO CA C 13 63.463 0.004 . 1 . . . . 525 PRO CA . 26779 1 553 . 1 1 160 160 PRO CB C 13 33.856 0.018 . 1 . . . . 525 PRO CB . 26779 1 554 . 1 1 161 161 GLN H H 1 8.556 0.002 . 1 . . . . 526 GLN H . 26779 1 555 . 1 1 161 161 GLN C C 13 173.852 0.032 . 1 . . . . 526 GLN C . 26779 1 556 . 1 1 161 161 GLN CA C 13 55.333 0.018 . 1 . . . . 526 GLN CA . 26779 1 557 . 1 1 161 161 GLN CB C 13 25.949 0.015 . 1 . . . . 526 GLN CB . 26779 1 558 . 1 1 161 161 GLN N N 15 119.242 0.034 . 1 . . . . 526 GLN N . 26779 1 559 . 1 1 162 162 ASP H H 1 8.066 0.001 . 1 . . . . 527 ASP H . 26779 1 560 . 1 1 162 162 ASP C C 13 172.000 0.001 . 1 . . . . 527 ASP C . 26779 1 561 . 1 1 162 162 ASP CA C 13 52.156 0.028 . 1 . . . . 527 ASP CA . 26779 1 562 . 1 1 162 162 ASP CB C 13 43.134 0.047 . 1 . . . . 527 ASP CB . 26779 1 563 . 1 1 162 162 ASP N N 15 123.806 0.045 . 1 . . . . 527 ASP N . 26779 1 564 . 1 1 163 163 TYR H H 1 9.089 0.002 . 1 . . . . 528 TYR H . 26779 1 565 . 1 1 163 163 TYR C C 13 172.766 0.000 . 1 . . . . 528 TYR C . 26779 1 566 . 1 1 163 163 TYR CA C 13 54.343 0.021 . 1 . . . . 528 TYR CA . 26779 1 567 . 1 1 163 163 TYR CB C 13 40.432 0.044 . 1 . . . . 528 TYR CB . 26779 1 568 . 1 1 163 163 TYR N N 15 120.207 0.041 . 1 . . . . 528 TYR N . 26779 1 569 . 1 1 164 164 ARG H H 1 9.166 0.001 . 1 . . . . 529 ARG H . 26779 1 570 . 1 1 164 164 ARG C C 13 171.861 0.000 . 1 . . . . 529 ARG C . 26779 1 571 . 1 1 164 164 ARG CA C 13 52.125 0.000 . 1 . . . . 529 ARG CA . 26779 1 572 . 1 1 164 164 ARG CB C 13 32.672 0.000 . 1 . . . . 529 ARG CB . 26779 1 573 . 1 1 164 164 ARG N N 15 133.746 0.044 . 1 . . . . 529 ARG N . 26779 1 574 . 1 1 165 165 PRO C C 13 176.245 0.002 . 1 . . . . 530 PRO C . 26779 1 575 . 1 1 165 165 PRO CA C 13 62.551 0.011 . 1 . . . . 530 PRO CA . 26779 1 576 . 1 1 165 165 PRO CB C 13 33.347 0.029 . 1 . . . . 530 PRO CB . 26779 1 577 . 1 1 166 166 MET H H 1 8.394 0.003 . 1 . . . . 531 MET H . 26779 1 578 . 1 1 166 166 MET C C 13 179.915 0.003 . 1 . . . . 531 MET C . 26779 1 579 . 1 1 166 166 MET CA C 13 59.700 0.017 . 1 . . . . 531 MET CA . 26779 1 580 . 1 1 166 166 MET CB C 13 33.669 0.007 . 1 . . . . 531 MET CB . 26779 1 581 . 1 1 166 166 MET N N 15 122.568 0.042 . 1 . . . . 531 MET N . 26779 1 582 . 1 1 167 167 ASN H H 1 8.582 0.001 . 1 . . . . 532 ASN H . 26779 1 583 . 1 1 167 167 ASN C C 13 174.423 0.006 . 1 . . . . 532 ASN C . 26779 1 584 . 1 1 167 167 ASN CA C 13 52.971 0.013 . 1 . . . . 532 ASN CA . 26779 1 585 . 1 1 167 167 ASN CB C 13 37.576 0.003 . 1 . . . . 532 ASN CB . 26779 1 586 . 1 1 167 167 ASN N N 15 113.961 0.022 . 1 . . . . 532 ASN N . 26779 1 587 . 1 1 168 168 HIS H H 1 7.576 0.002 . 1 . . . . 533 HIS H . 26779 1 588 . 1 1 168 168 HIS C C 13 179.002 0.018 . 1 . . . . 533 HIS C . 26779 1 589 . 1 1 168 168 HIS CA C 13 59.687 0.001 . 1 . . . . 533 HIS CA . 26779 1 590 . 1 1 168 168 HIS CB C 13 31.491 0.038 . 1 . . . . 533 HIS CB . 26779 1 591 . 1 1 168 168 HIS N N 15 120.528 0.048 . 1 . . . . 533 HIS N . 26779 1 592 . 1 1 169 169 GLU H H 1 8.943 0.001 . 1 . . . . 534 GLU H . 26779 1 593 . 1 1 169 169 GLU C C 13 177.594 0.000 . 1 . . . . 534 GLU C . 26779 1 594 . 1 1 169 169 GLU CA C 13 59.606 0.000 . 1 . . . . 534 GLU CA . 26779 1 595 . 1 1 169 169 GLU CB C 13 29.416 0.000 . 1 . . . . 534 GLU CB . 26779 1 596 . 1 1 169 169 GLU N N 15 130.121 0.036 . 1 . . . . 534 GLU N . 26779 1 597 . 1 1 170 170 ALA C C 13 178.120 0.032 . 1 . . . . 535 ALA C . 26779 1 598 . 1 1 170 170 ALA CA C 13 53.120 0.039 . 1 . . . . 535 ALA CA . 26779 1 599 . 1 1 170 170 ALA CB C 13 18.209 0.047 . 1 . . . . 535 ALA CB . 26779 1 600 . 1 1 171 171 PHE H H 1 7.874 0.001 . 1 . . . . 536 PHE H . 26779 1 601 . 1 1 171 171 PHE C C 13 174.807 0.017 . 1 . . . . 536 PHE C . 26779 1 602 . 1 1 171 171 PHE CA C 13 57.917 0.010 . 1 . . . . 536 PHE CA . 26779 1 603 . 1 1 171 171 PHE CB C 13 39.546 0.046 . 1 . . . . 536 PHE CB . 26779 1 604 . 1 1 171 171 PHE N N 15 117.200 0.034 . 1 . . . . 536 PHE N . 26779 1 605 . 1 1 172 172 LYS H H 1 7.261 0.002 . 1 . . . . 537 LYS H . 26779 1 606 . 1 1 172 172 LYS C C 13 179.381 0.088 . 1 . . . . 537 LYS C . 26779 1 607 . 1 1 172 172 LYS CA C 13 59.894 0.007 . 1 . . . . 537 LYS CA . 26779 1 608 . 1 1 172 172 LYS CB C 13 32.091 0.013 . 1 . . . . 537 LYS CB . 26779 1 609 . 1 1 172 172 LYS N N 15 119.408 0.028 . 1 . . . . 537 LYS N . 26779 1 610 . 1 1 173 173 ASP H H 1 8.708 0.001 . 1 . . . . 538 ASP H . 26779 1 611 . 1 1 173 173 ASP C C 13 178.543 0.019 . 1 . . . . 538 ASP C . 26779 1 612 . 1 1 173 173 ASP CA C 13 57.548 0.020 . 1 . . . . 538 ASP CA . 26779 1 613 . 1 1 173 173 ASP CB C 13 40.087 0.049 . 1 . . . . 538 ASP CB . 26779 1 614 . 1 1 173 173 ASP N N 15 119.846 0.036 . 1 . . . . 538 ASP N . 26779 1 615 . 1 1 174 174 GLU H H 1 8.121 0.001 . 1 . . . . 539 GLU H . 26779 1 616 . 1 1 174 174 GLU C C 13 179.112 0.028 . 1 . . . . 539 GLU C . 26779 1 617 . 1 1 174 174 GLU CA C 13 59.919 0.021 . 1 . . . . 539 GLU CA . 26779 1 618 . 1 1 174 174 GLU CB C 13 29.273 0.009 . 1 . . . . 539 GLU CB . 26779 1 619 . 1 1 174 174 GLU N N 15 123.371 0.029 . 1 . . . . 539 GLU N . 26779 1 620 . 1 1 175 175 LEU H H 1 8.401 0.003 . 1 . . . . 540 LEU H . 26779 1 621 . 1 1 175 175 LEU C C 13 178.351 0.013 . 1 . . . . 540 LEU C . 26779 1 622 . 1 1 175 175 LEU CA C 13 58.979 0.027 . 1 . . . . 540 LEU CA . 26779 1 623 . 1 1 175 175 LEU CB C 13 40.110 0.000 . 1 . . . . 540 LEU CB . 26779 1 624 . 1 1 175 175 LEU N N 15 122.123 0.022 . 1 . . . . 540 LEU N . 26779 1 625 . 1 1 176 176 LYS H H 1 7.790 0.001 . 1 . . . . 541 LYS H . 26779 1 626 . 1 1 176 176 LYS C C 13 179.196 0.007 . 1 . . . . 541 LYS C . 26779 1 627 . 1 1 176 176 LYS CA C 13 59.959 0.023 . 1 . . . . 541 LYS CA . 26779 1 628 . 1 1 176 176 LYS CB C 13 31.794 0.024 . 1 . . . . 541 LYS CB . 26779 1 629 . 1 1 176 176 LYS N N 15 118.000 0.032 . 1 . . . . 541 LYS N . 26779 1 630 . 1 1 177 177 THR H H 1 8.033 0.001 . 1 . . . . 542 THR H . 26779 1 631 . 1 1 177 177 THR C C 13 176.621 0.009 . 1 . . . . 542 THR C . 26779 1 632 . 1 1 177 177 THR CA C 13 66.303 0.022 . 1 . . . . 542 THR CA . 26779 1 633 . 1 1 177 177 THR CB C 13 68.715 0.093 . 1 . . . . 542 THR CB . 26779 1 634 . 1 1 177 177 THR N N 15 114.327 0.031 . 1 . . . . 542 THR N . 26779 1 635 . 1 1 178 178 PHE H H 1 8.490 0.002 . 1 . . . . 543 PHE H . 26779 1 636 . 1 1 178 178 PHE C C 13 178.687 0.022 . 1 . . . . 543 PHE C . 26779 1 637 . 1 1 178 178 PHE CA C 13 63.250 0.012 . 1 . . . . 543 PHE CA . 26779 1 638 . 1 1 178 178 PHE CB C 13 37.904 0.032 . 1 . . . . 543 PHE CB . 26779 1 639 . 1 1 178 178 PHE N N 15 121.559 0.035 . 1 . . . . 543 PHE N . 26779 1 640 . 1 1 179 179 ARG H H 1 8.691 0.002 . 1 . . . . 544 ARG H . 26779 1 641 . 1 1 179 179 ARG C C 13 178.679 0.044 . 1 . . . . 544 ARG C . 26779 1 642 . 1 1 179 179 ARG CA C 13 59.547 0.014 . 1 . . . . 544 ARG CA . 26779 1 643 . 1 1 179 179 ARG CB C 13 29.627 0.063 . 1 . . . . 544 ARG CB . 26779 1 644 . 1 1 179 179 ARG N N 15 120.195 0.027 . 1 . . . . 544 ARG N . 26779 1 645 . 1 1 180 180 LEU H H 1 7.641 0.003 . 1 . . . . 545 LEU H . 26779 1 646 . 1 1 180 180 LEU C C 13 179.426 0.035 . 1 . . . . 545 LEU C . 26779 1 647 . 1 1 180 180 LEU CA C 13 57.408 0.009 . 1 . . . . 545 LEU CA . 26779 1 648 . 1 1 180 180 LEU CB C 13 41.388 0.024 . 1 . . . . 545 LEU CB . 26779 1 649 . 1 1 180 180 LEU N N 15 119.137 0.025 . 1 . . . . 545 LEU N . 26779 1 650 . 1 1 181 181 LYS H H 1 7.887 0.002 . 1 . . . . 546 LYS H . 26779 1 651 . 1 1 181 181 LYS C C 13 177.817 0.017 . 1 . . . . 546 LYS C . 26779 1 652 . 1 1 181 181 LYS CA C 13 58.214 0.010 . 1 . . . . 546 LYS CA . 26779 1 653 . 1 1 181 181 LYS CB C 13 32.727 0.022 . 1 . . . . 546 LYS CB . 26779 1 654 . 1 1 181 181 LYS N N 15 118.225 0.024 . 1 . . . . 546 LYS N . 26779 1 655 . 1 1 182 182 THR H H 1 7.681 0.003 . 1 . . . . 547 THR H . 26779 1 656 . 1 1 182 182 THR C C 13 174.807 0.011 . 1 . . . . 547 THR C . 26779 1 657 . 1 1 182 182 THR CA C 13 62.596 0.013 . 1 . . . . 547 THR CA . 26779 1 658 . 1 1 182 182 THR CB C 13 70.006 0.023 . 1 . . . . 547 THR CB . 26779 1 659 . 1 1 182 182 THR N N 15 110.026 0.054 . 1 . . . . 547 THR N . 26779 1 660 . 1 1 183 183 ARG H H 1 7.857 0.001 . 1 . . . . 548 ARG H . 26779 1 661 . 1 1 183 183 ARG C C 13 176.749 0.061 . 1 . . . . 548 ARG C . 26779 1 662 . 1 1 183 183 ARG CA C 13 56.917 0.010 . 1 . . . . 548 ARG CA . 26779 1 663 . 1 1 183 183 ARG CB C 13 29.920 0.025 . 1 . . . . 548 ARG CB . 26779 1 664 . 1 1 183 183 ARG N N 15 121.678 0.045 . 1 . . . . 548 ARG N . 26779 1 665 . 1 1 184 184 SER H H 1 8.276 0.001 . 1 . . . . 549 SER H . 26779 1 666 . 1 1 184 184 SER C C 13 174.711 0.072 . 1 . . . . 549 SER C . 26779 1 667 . 1 1 184 184 SER CA C 13 59.031 0.043 . 1 . . . . 549 SER CA . 26779 1 668 . 1 1 184 184 SER CB C 13 63.883 0.051 . 1 . . . . 549 SER CB . 26779 1 669 . 1 1 184 184 SER N N 15 116.071 0.054 . 1 . . . . 549 SER N . 26779 1 670 . 1 1 185 185 TRP H H 1 8.183 0.002 . 1 . . . . 550 TRP H . 26779 1 671 . 1 1 185 185 TRP C C 13 176.162 0.016 . 1 . . . . 550 TRP C . 26779 1 672 . 1 1 185 185 TRP CA C 13 57.771 0.005 . 1 . . . . 550 TRP CA . 26779 1 673 . 1 1 185 185 TRP CB C 13 29.792 0.025 . 1 . . . . 550 TRP CB . 26779 1 674 . 1 1 185 185 TRP N N 15 123.320 0.032 . 1 . . . . 550 TRP N . 26779 1 675 . 1 1 186 186 ALA H H 1 8.173 0.002 . 1 . . . . 551 ALA H . 26779 1 676 . 1 1 186 186 ALA C C 13 178.168 0.025 . 1 . . . . 551 ALA C . 26779 1 677 . 1 1 186 186 ALA CA C 13 53.003 0.009 . 1 . . . . 551 ALA CA . 26779 1 678 . 1 1 186 186 ALA CB C 13 18.864 0.061 . 1 . . . . 551 ALA CB . 26779 1 679 . 1 1 186 186 ALA N N 15 125.357 0.050 . 1 . . . . 551 ALA N . 26779 1 680 . 1 1 187 187 GLY H H 1 7.679 0.002 . 1 . . . . 552 GLY H . 26779 1 681 . 1 1 187 187 GLY C C 13 174.312 0.004 . 1 . . . . 552 GLY C . 26779 1 682 . 1 1 187 187 GLY CA C 13 45.379 0.010 . 1 . . . . 552 GLY CA . 26779 1 683 . 1 1 187 187 GLY N N 15 107.027 0.029 . 1 . . . . 552 GLY N . 26779 1 684 . 1 1 188 188 GLU H H 1 8.225 0.001 . 1 . . . . 553 GLU H . 26779 1 685 . 1 1 188 188 GLU C C 13 177.106 0.000 . 1 . . . . 553 GLU C . 26779 1 686 . 1 1 188 188 GLU CA C 13 57.032 0.057 . 1 . . . . 553 GLU CA . 26779 1 687 . 1 1 188 188 GLU CB C 13 29.909 0.061 . 1 . . . . 553 GLU CB . 26779 1 688 . 1 1 188 188 GLU N N 15 121.012 0.034 . 1 . . . . 553 GLU N . 26779 1 689 . 1 1 189 189 ARG H H 1 8.390 0.002 . 1 . . . . 554 ARG H . 26779 1 690 . 1 1 189 189 ARG C C 13 176.842 0.065 . 1 . . . . 554 ARG C . 26779 1 691 . 1 1 189 189 ARG CA C 13 56.962 0.036 . 1 . . . . 554 ARG CA . 26779 1 692 . 1 1 189 189 ARG CB C 13 29.943 0.032 . 1 . . . . 554 ARG CB . 26779 1 693 . 1 1 189 189 ARG N N 15 121.475 0.037 . 1 . . . . 554 ARG N . 26779 1 694 . 1 1 190 190 SER H H 1 8.233 0.004 . 1 . . . . 555 SER H . 26779 1 695 . 1 1 190 190 SER C C 13 174.877 0.000 . 1 . . . . 555 SER C . 26779 1 696 . 1 1 190 190 SER CA C 13 59.098 0.011 . 1 . . . . 555 SER CA . 26779 1 697 . 1 1 190 190 SER CB C 13 63.898 0.063 . 1 . . . . 555 SER CB . 26779 1 698 . 1 1 190 190 SER N N 15 116.064 0.048 . 1 . . . . 555 SER N . 26779 1 699 . 1 1 191 191 ARG H H 1 8.261 0.001 . 1 . . . . 556 ARG H . 26779 1 700 . 1 1 191 191 ARG C C 13 176.794 0.043 . 1 . . . . 556 ARG C . 26779 1 701 . 1 1 191 191 ARG CA C 13 56.839 0.010 . 1 . . . . 556 ARG CA . 26779 1 702 . 1 1 191 191 ARG CB C 13 29.935 0.003 . 1 . . . . 556 ARG CB . 26779 1 703 . 1 1 191 191 ARG N N 15 122.620 0.021 . 1 . . . . 556 ARG N . 26779 1 704 . 1 1 192 192 ARG H H 1 8.250 0.001 . 1 . . . . 557 ARG H . 26779 1 705 . 1 1 192 192 ARG C C 13 176.829 0.011 . 1 . . . . 557 ARG C . 26779 1 706 . 1 1 192 192 ARG CA C 13 56.953 0.000 . 1 . . . . 557 ARG CA . 26779 1 707 . 1 1 192 192 ARG CB C 13 30.144 0.009 . 1 . . . . 557 ARG CB . 26779 1 708 . 1 1 192 192 ARG N N 15 121.323 0.030 . 1 . . . . 557 ARG N . 26779 1 709 . 1 1 193 193 GLU H H 1 8.379 0.002 . 1 . . . . 558 GLU H . 26779 1 710 . 1 1 193 193 GLU C C 13 176.783 0.041 . 1 . . . . 558 GLU C . 26779 1 711 . 1 1 193 193 GLU CA C 13 57.012 0.017 . 1 . . . . 558 GLU CA . 26779 1 712 . 1 1 193 193 GLU CB C 13 29.771 0.077 . 1 . . . . 558 GLU CB . 26779 1 713 . 1 1 193 193 GLU N N 15 121.106 0.089 . 1 . . . . 558 GLU N . 26779 1 714 . 1 1 194 194 LEU H H 1 8.197 0.001 . 1 . . . . 559 LEU H . 26779 1 715 . 1 1 194 194 LEU C C 13 177.552 0.038 . 1 . . . . 559 LEU C . 26779 1 716 . 1 1 194 194 LEU CA C 13 55.783 0.003 . 1 . . . . 559 LEU CA . 26779 1 717 . 1 1 194 194 LEU CB C 13 41.634 0.057 . 1 . . . . 559 LEU CB . 26779 1 718 . 1 1 194 194 LEU N N 15 122.329 0.048 . 1 . . . . 559 LEU N . 26779 1 719 . 1 1 195 195 CYS H H 1 8.252 0.002 . 1 . . . . 560 CYS H . 26779 1 720 . 1 1 195 195 CYS C C 13 174.848 0.008 . 1 . . . . 560 CYS C . 26779 1 721 . 1 1 195 195 CYS CA C 13 59.087 0.011 . 1 . . . . 560 CYS CA . 26779 1 722 . 1 1 195 195 CYS CB C 13 28.286 0.045 . 1 . . . . 560 CYS CB . 26779 1 723 . 1 1 195 195 CYS N N 15 119.162 0.067 . 1 . . . . 560 CYS N . 26779 1 724 . 1 1 196 196 SER H H 1 8.320 0.002 . 1 . . . . 561 SER H . 26779 1 725 . 1 1 196 196 SER C C 13 174.528 0.000 . 1 . . . . 561 SER C . 26779 1 726 . 1 1 196 196 SER CA C 13 59.007 0.051 . 1 . . . . 561 SER CA . 26779 1 727 . 1 1 196 196 SER CB C 13 63.721 0.000 . 1 . . . . 561 SER CB . 26779 1 728 . 1 1 196 196 SER N N 15 118.209 0.068 . 1 . . . . 561 SER N . 26779 1 729 . 1 1 197 197 ARG H H 1 8.299 0.001 . 1 . . . . 562 ARG H . 26779 1 730 . 1 1 197 197 ARG C C 13 176.383 0.019 . 1 . . . . 562 ARG C . 26779 1 731 . 1 1 197 197 ARG CA C 13 56.390 0.020 . 1 . . . . 562 ARG CA . 26779 1 732 . 1 1 197 197 ARG CB C 13 30.196 0.030 . 1 . . . . 562 ARG CB . 26779 1 733 . 1 1 197 197 ARG N N 15 122.700 0.018 . 1 . . . . 562 ARG N . 26779 1 734 . 1 1 198 198 LEU H H 1 8.241 0.001 . 1 . . . . 563 LEU H . 26779 1 735 . 1 1 198 198 LEU C C 13 177.446 0.020 . 1 . . . . 563 LEU C . 26779 1 736 . 1 1 198 198 LEU CA C 13 55.633 0.031 . 1 . . . . 563 LEU CA . 26779 1 737 . 1 1 198 198 LEU CB C 13 41.678 0.015 . 1 . . . . 563 LEU CB . 26779 1 738 . 1 1 198 198 LEU N N 15 122.860 0.041 . 1 . . . . 563 LEU N . 26779 1 739 . 1 1 199 199 GLN H H 1 8.305 0.001 . 1 . . . . 564 GLN H . 26779 1 740 . 1 1 199 199 GLN C C 13 175.621 0.006 . 1 . . . . 564 GLN C . 26779 1 741 . 1 1 199 199 GLN CA C 13 56.073 0.054 . 1 . . . . 564 GLN CA . 26779 1 742 . 1 1 199 199 GLN CB C 13 29.235 0.019 . 1 . . . . 564 GLN CB . 26779 1 743 . 1 1 199 199 GLN N N 15 119.912 0.019 . 1 . . . . 564 GLN N . 26779 1 744 . 1 1 200 200 ASP H H 1 8.309 0.001 . 1 . . . . 565 ASP H . 26779 1 745 . 1 1 200 200 ASP C C 13 175.197 0.020 . 1 . . . . 565 ASP C . 26779 1 746 . 1 1 200 200 ASP CA C 13 54.830 0.010 . 1 . . . . 565 ASP CA . 26779 1 747 . 1 1 200 200 ASP CB C 13 40.995 0.024 . 1 . . . . 565 ASP CB . 26779 1 748 . 1 1 200 200 ASP N N 15 121.447 0.021 . 1 . . . . 565 ASP N . 26779 1 749 . 1 1 201 201 GLN H H 1 7.833 0.001 . 1 . . . . 566 GLN H . 26779 1 750 . 1 1 201 201 GLN C C 13 180.590 0.000 . 1 . . . . 566 GLN C . 26779 1 751 . 1 1 201 201 GLN CA C 13 57.430 0.000 . 1 . . . . 566 GLN CA . 26779 1 752 . 1 1 201 201 GLN CB C 13 30.226 0.000 . 1 . . . . 566 GLN CB . 26779 1 753 . 1 1 201 201 GLN N N 15 124.592 0.026 . 1 . . . . 566 GLN N . 26779 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 26779 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 800 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details 'PEG/n-hexanol anisotropic liquid crystal medium' _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 7 '2D 1H-15N HSQC IPAP' . . . 26779 1 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 1 $NMRPipe . . 26779 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 1DHN . 1 1 5 5 GLU H H 1 . . 1 1 5 5 GLU N N 15 . -11.313 . . . . . . . 370 GLU H . 370 GLU N 26779 1 2 1DHN . 1 1 6 6 PHE H H 1 . . 1 1 6 6 PHE N N 15 . -4.388 . . . . . . . 371 PHE H . 371 PHE N 26779 1 3 1DHN . 1 1 7 7 GLN H H 1 . . 1 1 7 7 GLN N N 15 . 0.930 . . . . . . . 372 GLN H . 372 GLN N 26779 1 4 1DHN . 1 1 8 8 SER H H 1 . . 1 1 8 8 SER N N 15 . -0.862 . . . . . . . 373 SER H . 373 SER N 26779 1 5 1DHN . 1 1 9 9 ASP H H 1 . . 1 1 9 9 ASP N N 15 . 4.650 . . . . . . . 374 ASP H . 374 ASP N 26779 1 6 1DHN . 1 1 10 10 HIS H H 1 . . 1 1 10 10 HIS N N 15 . -0.140 . . . . . . . 375 HIS H . 375 HIS N 26779 1 7 1DHN . 1 1 11 11 ARG H H 1 . . 1 1 11 11 ARG N N 15 . -2.992 . . . . . . . 376 ARG H . 376 ARG N 26779 1 8 1DHN . 1 1 12 12 GLU H H 1 . . 1 1 12 12 GLU N N 15 . 1.158 . . . . . . . 377 GLU H . 377 GLU N 26779 1 9 1DHN . 1 1 24 24 GLN H H 1 . . 1 1 24 24 GLN N N 15 . 13.698 . . . . . . . 389 GLN H . 389 GLN N 26779 1 10 1DHN . 1 1 25 25 THR H H 1 . . 1 1 25 25 THR N N 15 . -9.745 . . . . . . . 390 THR H . 390 THR N 26779 1 11 1DHN . 1 1 26 26 VAL H H 1 . . 1 1 26 26 VAL N N 15 . 1.323 . . . . . . . 391 VAL H . 391 VAL N 26779 1 12 1DHN . 1 1 27 27 ASP H H 1 . . 1 1 27 27 ASP N N 15 . 2.955 . . . . . . . 392 ASP H . 392 ASP N 26779 1 13 1DHN . 1 1 28 28 GLY H H 1 . . 1 1 28 28 GLY N N 15 . -3.481 . . . . . . . 393 GLY H . 393 GLY N 26779 1 14 1DHN . 1 1 29 29 LYS H H 1 . . 1 1 29 29 LYS N N 15 . 3.382 . . . . . . . 394 LYS H . 394 LYS N 26779 1 15 1DHN . 1 1 30 30 HIS H H 1 . . 1 1 30 30 HIS N N 15 . 18.058 . . . . . . . 395 HIS H . 395 HIS N 26779 1 16 1DHN . 1 1 31 31 GLN H H 1 . . 1 1 31 31 GLN N N 15 . 3.279 . . . . . . . 396 GLN H . 396 GLN N 26779 1 17 1DHN . 1 1 32 32 ASP H H 1 . . 1 1 32 32 ASP N N 15 . -22.694 . . . . . . . 397 ASP H . 397 ASP N 26779 1 18 1DHN . 1 1 33 33 LEU H H 1 . . 1 1 33 33 LEU N N 15 . 5.021 . . . . . . . 398 LEU H . 398 LEU N 26779 1 19 1DHN . 1 1 34 34 LYS H H 1 . . 1 1 34 34 LYS N N 15 . 11.192 . . . . . . . 399 LYS H . 399 LYS N 26779 1 20 1DHN . 1 1 35 35 TYR H H 1 . . 1 1 35 35 TYR N N 15 . 8.319 . . . . . . . 400 TYR H . 400 TYR N 26779 1 21 1DHN . 1 1 36 36 ILE H H 1 . . 1 1 36 36 ILE N N 15 . -13.986 . . . . . . . 401 ILE H . 401 ILE N 26779 1 22 1DHN . 1 1 37 37 SER H H 1 . . 1 1 37 37 SER N N 15 . -24.899 . . . . . . . 402 SER H . 402 SER N 26779 1 23 1DHN . 1 1 39 39 GLU H H 1 . . 1 1 39 39 GLU N N 15 . 17.699 . . . . . . . 404 GLU H . 404 GLU N 26779 1 24 1DHN . 1 1 40 40 THR H H 1 . . 1 1 40 40 THR N N 15 . 10.037 . . . . . . . 405 THR H . 405 THR N 26779 1 25 1DHN . 1 1 41 41 MET H H 1 . . 1 1 41 41 MET N N 15 . 2.957 . . . . . . . 406 MET H . 406 MET N 26779 1 26 1DHN . 1 1 42 42 VAL H H 1 . . 1 1 42 42 VAL N N 15 . 14.679 . . . . . . . 407 VAL H . 407 VAL N 26779 1 27 1DHN . 1 1 43 43 ALA H H 1 . . 1 1 43 43 ALA N N 15 . 21.300 . . . . . . . 408 ALA H . 408 ALA N 26779 1 28 1DHN . 1 1 44 44 LEU H H 1 . . 1 1 44 44 LEU N N 15 . 8.355 . . . . . . . 409 LEU H . 409 LEU N 26779 1 29 1DHN . 1 1 45 45 LEU H H 1 . . 1 1 45 45 LEU N N 15 . 11.902 . . . . . . . 410 LEU H . 410 LEU N 26779 1 30 1DHN . 1 1 46 46 THR H H 1 . . 1 1 46 46 THR N N 15 . 20.758 . . . . . . . 411 THR H . 411 THR N 26779 1 31 1DHN . 1 1 47 47 GLY H H 1 . . 1 1 47 47 GLY N N 15 . -0.669 . . . . . . . 412 GLY H . 412 GLY N 26779 1 32 1DHN . 1 1 48 48 LYS H H 1 . . 1 1 48 48 LYS N N 15 . -21.057 . . . . . . . 413 LYS H . 413 LYS N 26779 1 33 1DHN . 1 1 49 49 PHE H H 1 . . 1 1 49 49 PHE N N 15 . -18.607 . . . . . . . 414 PHE H . 414 PHE N 26779 1 34 1DHN . 1 1 50 50 SER H H 1 . . 1 1 50 50 SER N N 15 . 10.034 . . . . . . . 415 SER H . 415 SER N 26779 1 35 1DHN . 1 1 51 51 ASN H H 1 . . 1 1 51 51 ASN N N 15 . 7.097 . . . . . . . 416 ASN H . 416 ASN N 26779 1 36 1DHN . 1 1 54 54 ASP H H 1 . . 1 1 54 54 ASP N N 15 . 14.900 . . . . . . . 419 ASP H . 419 ASP N 26779 1 37 1DHN . 1 1 56 56 PHE H H 1 . . 1 1 56 56 PHE N N 15 . 12.759 . . . . . . . 421 PHE H . 421 PHE N 26779 1 38 1DHN . 1 1 57 57 VAL H H 1 . . 1 1 57 57 VAL N N 15 . 10.224 . . . . . . . 422 VAL H . 422 VAL N 26779 1 39 1DHN . 1 1 58 58 ILE H H 1 . . 1 1 58 58 ILE N N 15 . 19.300 . . . . . . . 423 ILE H . 423 ILE N 26779 1 40 1DHN . 1 1 59 59 VAL H H 1 . . 1 1 59 59 VAL N N 15 . 7.000 . . . . . . . 424 VAL H . 424 VAL N 26779 1 41 1DHN . 1 1 60 60 ASP H H 1 . . 1 1 60 60 ASP N N 15 . 18.700 . . . . . . . 425 ASP H . 425 ASP N 26779 1 42 1DHN . 1 1 61 61 CYS H H 1 . . 1 1 61 61 CYS N N 15 . 7.000 . . . . . . . 426 CYS H . 426 CYS N 26779 1 43 1DHN . 1 1 62 62 ARG H H 1 . . 1 1 62 62 ARG N N 15 . 1.136 . . . . . . . 427 ARG H . 427 ARG N 26779 1 44 1DHN . 1 1 63 63 TYR H H 1 . . 1 1 63 63 TYR N N 15 . -1.164 . . . . . . . 428 TYR H . 428 TYR N 26779 1 45 1DHN . 1 1 65 65 TYR H H 1 . . 1 1 65 65 TYR N N 15 . 1.881 . . . . . . . 430 TYR H . 430 TYR N 26779 1 46 1DHN . 1 1 66 66 GLU H H 1 . . 1 1 66 66 GLU N N 15 . 5.354 . . . . . . . 431 GLU H . 431 GLU N 26779 1 47 1DHN . 1 1 67 67 TYR H H 1 . . 1 1 67 67 TYR N N 15 . -1.616 . . . . . . . 432 TYR H . 432 TYR N 26779 1 48 1DHN . 1 1 68 68 GLU H H 1 . . 1 1 68 68 GLU N N 15 . 0.330 . . . . . . . 433 GLU H . 433 GLU N 26779 1 49 1DHN . 1 1 69 69 GLY H H 1 . . 1 1 69 69 GLY N N 15 . 14.101 . . . . . . . 434 GLY H . 434 GLY N 26779 1 50 1DHN . 1 1 70 70 GLY H H 1 . . 1 1 70 70 GLY N N 15 . 3.574 . . . . . . . 435 GLY H . 435 GLY N 26779 1 51 1DHN . 1 1 71 71 HIS H H 1 . . 1 1 71 71 HIS N N 15 . 19.398 . . . . . . . 436 HIS H . 436 HIS N 26779 1 52 1DHN . 1 1 72 72 ILE H H 1 . . 1 1 72 72 ILE N N 15 . 10.613 . . . . . . . 437 ILE H . 437 ILE N 26779 1 53 1DHN . 1 1 74 74 THR H H 1 . . 1 1 74 74 THR N N 15 . -7.773 . . . . . . . 439 THR H . 439 THR N 26779 1 54 1DHN . 1 1 75 75 ALA H H 1 . . 1 1 75 75 ALA N N 15 . -2.700 . . . . . . . 440 ALA H . 440 ALA N 26779 1 55 1DHN . 1 1 76 76 VAL H H 1 . . 1 1 76 76 VAL N N 15 . 3.424 . . . . . . . 441 VAL H . 441 VAL N 26779 1 56 1DHN . 1 1 77 77 ASN H H 1 . . 1 1 77 77 ASN N N 15 . 17.800 . . . . . . . 442 ASN H . 442 ASN N 26779 1 57 1DHN . 1 1 78 78 LEU H H 1 . . 1 1 78 78 LEU N N 15 . 9.300 . . . . . . . 443 LEU H . 443 LEU N 26779 1 58 1DHN . 1 1 80 80 LEU H H 1 . . 1 1 80 80 LEU N N 15 . 15.624 . . . . . . . 445 LEU H . 445 LEU N 26779 1 59 1DHN . 1 1 81 81 GLU H H 1 . . 1 1 81 81 GLU N N 15 . -3.100 . . . . . . . 446 GLU H . 446 GLU N 26779 1 60 1DHN . 1 1 82 82 ARG H H 1 . . 1 1 82 82 ARG N N 15 . -17.128 . . . . . . . 447 ARG H . 447 ARG N 26779 1 61 1DHN . 1 1 83 83 ASP H H 1 . . 1 1 83 83 ASP N N 15 . -0.480 . . . . . . . 448 ASP H . 448 ASP N 26779 1 62 1DHN . 1 1 84 84 ALA H H 1 . . 1 1 84 84 ALA N N 15 . -3.265 . . . . . . . 449 ALA H . 449 ALA N 26779 1 63 1DHN . 1 1 85 85 GLU H H 1 . . 1 1 85 85 GLU N N 15 . -14.341 . . . . . . . 450 GLU H . 450 GLU N 26779 1 64 1DHN . 1 1 86 86 SER H H 1 . . 1 1 86 86 SER N N 15 . -19.916 . . . . . . . 451 SER H . 451 SER N 26779 1 65 1DHN . 1 1 87 87 PHE H H 1 . . 1 1 87 87 PHE N N 15 . -1.915 . . . . . . . 452 PHE H . 452 PHE N 26779 1 66 1DHN . 1 1 88 88 LEU H H 1 . . 1 1 88 88 LEU N N 15 . -5.627 . . . . . . . 453 LEU H . 453 LEU N 26779 1 67 1DHN . 1 1 89 89 LEU H H 1 . . 1 1 89 89 LEU N N 15 . -32.995 . . . . . . . 454 LEU H . 454 LEU N 26779 1 68 1DHN . 1 1 90 90 LYS H H 1 . . 1 1 90 90 LYS N N 15 . -12.236 . . . . . . . 455 LYS H . 455 LYS N 26779 1 69 1DHN . 1 1 91 91 SER H H 1 . . 1 1 91 91 SER N N 15 . -6.781 . . . . . . . 456 SER H . 456 SER N 26779 1 70 1DHN . 1 1 103 103 ILE H H 1 . . 1 1 103 103 ILE N N 15 . 4.351 . . . . . . . 468 ILE H . 468 ILE N 26779 1 71 1DHN . 1 1 104 104 LEU H H 1 . . 1 1 104 104 LEU N N 15 . 11.541 . . . . . . . 469 LEU H . 469 LEU N 26779 1 72 1DHN . 1 1 105 105 ILE H H 1 . . 1 1 105 105 ILE N N 15 . 15.432 . . . . . . . 470 ILE H . 470 ILE N 26779 1 73 1DHN . 1 1 106 106 PHE H H 1 . . 1 1 106 106 PHE N N 15 . 6.293 . . . . . . . 471 PHE H . 471 PHE N 26779 1 74 1DHN . 1 1 107 107 HIS H H 1 . . 1 1 107 107 HIS N N 15 . 11.088 . . . . . . . 472 HIS H . 472 HIS N 26779 1 75 1DHN . 1 1 117 117 ARG H H 1 . . 1 1 117 117 ARG N N 15 . -13.978 . . . . . . . 482 ARG H . 482 ARG N 26779 1 76 1DHN . 1 1 118 118 MET H H 1 . . 1 1 118 118 MET N N 15 . -3.415 . . . . . . . 483 MET H . 483 MET N 26779 1 77 1DHN . 1 1 120 120 ARG H H 1 . . 1 1 120 120 ARG N N 15 . -15.343 . . . . . . . 485 ARG H . 485 ARG N 26779 1 78 1DHN . 1 1 121 121 PHE H H 1 . . 1 1 121 121 PHE N N 15 . -9.136 . . . . . . . 486 PHE H . 486 PHE N 26779 1 79 1DHN . 1 1 122 122 ILE H H 1 . . 1 1 122 122 ILE N N 15 . -1.741 . . . . . . . 487 ILE H . 487 ILE N 26779 1 80 1DHN . 1 1 123 123 ARG H H 1 . . 1 1 123 123 ARG N N 15 . -10.001 . . . . . . . 488 ARG H . 488 ARG N 26779 1 81 1DHN . 1 1 124 124 GLU H H 1 . . 1 1 124 124 GLU N N 15 . -12.262 . . . . . . . 489 GLU H . 489 GLU N 26779 1 82 1DHN . 1 1 125 125 ARG H H 1 . . 1 1 125 125 ARG N N 15 . -8.630 . . . . . . . 490 ARG H . 490 ARG N 26779 1 83 1DHN . 1 1 126 126 ASP H H 1 . . 1 1 126 126 ASP N N 15 . -6.392 . . . . . . . 491 ASP H . 491 ASP N 26779 1 84 1DHN . 1 1 127 127 ARG H H 1 . . 1 1 127 127 ARG N N 15 . -14.747 . . . . . . . 492 ARG H . 492 ARG N 26779 1 85 1DHN . 1 1 128 128 ALA H H 1 . . 1 1 128 128 ALA N N 15 . -11.884 . . . . . . . 493 ALA H . 493 ALA N 26779 1 86 1DHN . 1 1 129 129 VAL H H 1 . . 1 1 129 129 VAL N N 15 . 2.086 . . . . . . . 494 VAL H . 494 VAL N 26779 1 87 1DHN . 1 1 130 130 ASN H H 1 . . 1 1 130 130 ASN N N 15 . 7.203 . . . . . . . 495 ASN H . 495 ASN N 26779 1 88 1DHN . 1 1 131 131 ASP H H 1 . . 1 1 131 131 ASP N N 15 . 14.962 . . . . . . . 496 ASP H . 496 ASP N 26779 1 89 1DHN . 1 1 132 132 TYR H H 1 . . 1 1 132 132 TYR N N 15 . 4.000 . . . . . . . 497 TYR H . 497 TYR N 26779 1 90 1DHN . 1 1 140 140 MET H H 1 . . 1 1 140 140 MET N N 15 . 5.047 . . . . . . . 505 MET H . 505 MET N 26779 1 91 1DHN . 1 1 141 141 TYR H H 1 . . 1 1 141 141 TYR N N 15 . 11.916 . . . . . . . 506 TYR H . 506 TYR N 26779 1 92 1DHN . 1 1 142 142 ILE H H 1 . . 1 1 142 142 ILE N N 15 . 6.006 . . . . . . . 507 ILE H . 507 ILE N 26779 1 93 1DHN . 1 1 143 143 LEU H H 1 . . 1 1 143 143 LEU N N 15 . -1.100 . . . . . . . 508 LEU H . 508 LEU N 26779 1 94 1DHN . 1 1 144 144 LYS H H 1 . . 1 1 144 144 LYS N N 15 . -19.600 . . . . . . . 509 LYS H . 509 LYS N 26779 1 95 1DHN . 1 1 145 145 GLY H H 1 . . 1 1 145 145 GLY N N 15 . 15.230 . . . . . . . 510 GLY H . 510 GLY N 26779 1 96 1DHN . 1 1 146 146 GLY H H 1 . . 1 1 146 146 GLY N N 15 . -20.928 . . . . . . . 511 GLY H . 511 GLY N 26779 1 97 1DHN . 1 1 148 148 LYS H H 1 . . 1 1 148 148 LYS N N 15 . 8.511 . . . . . . . 513 LYS H . 513 LYS N 26779 1 98 1DHN . 1 1 149 149 GLU H H 1 . . 1 1 149 149 GLU N N 15 . 3.163 . . . . . . . 514 GLU H . 514 GLU N 26779 1 99 1DHN . 1 1 150 150 PHE H H 1 . . 1 1 150 150 PHE N N 15 . 0.909 . . . . . . . 515 PHE H . 515 PHE N 26779 1 100 1DHN . 1 1 151 151 PHE H H 1 . . 1 1 151 151 PHE N N 15 . 4.659 . . . . . . . 516 PHE H . 516 PHE N 26779 1 101 1DHN . 1 1 153 153 GLN H H 1 . . 1 1 153 153 GLN N N 15 . 6.536 . . . . . . . 518 GLN H . 518 GLN N 26779 1 102 1DHN . 1 1 154 154 HIS H H 1 . . 1 1 154 154 HIS N N 15 . -3.298 . . . . . . . 519 HIS H . 519 HIS N 26779 1 103 1DHN . 1 1 156 156 ASN H H 1 . . 1 1 156 156 ASN N N 15 . 4.288 . . . . . . . 521 ASN H . 521 ASN N 26779 1 104 1DHN . 1 1 157 157 PHE H H 1 . . 1 1 157 157 PHE N N 15 . 15.668 . . . . . . . 522 PHE H . 522 PHE N 26779 1 105 1DHN . 1 1 158 158 CYS H H 1 . . 1 1 158 158 CYS N N 15 . 2.713 . . . . . . . 523 CYS H . 523 CYS N 26779 1 106 1DHN . 1 1 159 159 GLU H H 1 . . 1 1 159 159 GLU N N 15 . 11.523 . . . . . . . 524 GLU H . 524 GLU N 26779 1 107 1DHN . 1 1 161 161 GLN H H 1 . . 1 1 161 161 GLN N N 15 . 13.878 . . . . . . . 526 GLN H . 526 GLN N 26779 1 108 1DHN . 1 1 162 162 ASP H H 1 . . 1 1 162 162 ASP N N 15 . -9.316 . . . . . . . 527 ASP H . 527 ASP N 26779 1 109 1DHN . 1 1 163 163 TYR H H 1 . . 1 1 163 163 TYR N N 15 . -14.741 . . . . . . . 528 TYR H . 528 TYR N 26779 1 110 1DHN . 1 1 164 164 ARG H H 1 . . 1 1 164 164 ARG N N 15 . -14.900 . . . . . . . 529 ARG H . 529 ARG N 26779 1 111 1DHN . 1 1 166 166 MET H H 1 . . 1 1 166 166 MET N N 15 . -14.770 . . . . . . . 531 MET H . 531 MET N 26779 1 112 1DHN . 1 1 167 167 ASN H H 1 . . 1 1 167 167 ASN N N 15 . -10.242 . . . . . . . 532 ASN H . 532 ASN N 26779 1 113 1DHN . 1 1 168 168 HIS H H 1 . . 1 1 168 168 HIS N N 15 . -16.290 . . . . . . . 533 HIS H . 533 HIS N 26779 1 114 1DHN . 1 1 169 169 GLU H H 1 . . 1 1 169 169 GLU N N 15 . 3.800 . . . . . . . 534 GLU H . 534 GLU N 26779 1 115 1DHN . 1 1 170 170 ALA H H 1 . . 1 1 170 170 ALA N N 15 . 9.002 . . . . . . . 535 ALA H . 535 ALA N 26779 1 116 1DHN . 1 1 171 171 PHE H H 1 . . 1 1 171 171 PHE N N 15 . 9.867 . . . . . . . 536 PHE H . 536 PHE N 26779 1 117 1DHN . 1 1 172 172 LYS H H 1 . . 1 1 172 172 LYS N N 15 . -6.556 . . . . . . . 537 LYS H . 537 LYS N 26779 1 118 1DHN . 1 1 173 173 ASP H H 1 . . 1 1 173 173 ASP N N 15 . 5.516 . . . . . . . 538 ASP H . 538 ASP N 26779 1 119 1DHN . 1 1 174 174 GLU H H 1 . . 1 1 174 174 GLU N N 15 . -21.256 . . . . . . . 539 GLU H . 539 GLU N 26779 1 120 1DHN . 1 1 176 176 LYS H H 1 . . 1 1 176 176 LYS N N 15 . -4.517 . . . . . . . 541 LYS H . 541 LYS N 26779 1 121 1DHN . 1 1 177 177 THR H H 1 . . 1 1 177 177 THR N N 15 . 3.504 . . . . . . . 542 THR H . 542 THR N 26779 1 122 1DHN . 1 1 178 178 PHE H H 1 . . 1 1 178 178 PHE N N 15 . 0.992 . . . . . . . 543 PHE H . 543 PHE N 26779 1 123 1DHN . 1 1 179 179 ARG H H 1 . . 1 1 179 179 ARG N N 15 . -11.180 . . . . . . . 544 ARG H . 544 ARG N 26779 1 124 1DHN . 1 1 180 180 LEU H H 1 . . 1 1 180 180 LEU N N 15 . -2.379 . . . . . . . 545 LEU H . 545 LEU N 26779 1 125 1DHN . 1 1 181 181 LYS H H 1 . . 1 1 181 181 LYS N N 15 . 2.278 . . . . . . . 546 LYS H . 546 LYS N 26779 1 126 1DHN . 1 1 182 182 THR H H 1 . . 1 1 182 182 THR N N 15 . -8.929 . . . . . . . 547 THR H . 547 THR N 26779 1 127 1DHN . 1 1 183 183 ARG H H 1 . . 1 1 183 183 ARG N N 15 . -5.899 . . . . . . . 548 ARG H . 548 ARG N 26779 1 128 1DHN . 1 1 184 184 SER H H 1 . . 1 1 184 184 SER N N 15 . 1.060 . . . . . . . 549 SER H . 549 SER N 26779 1 129 1DHN . 1 1 185 185 TRP H H 1 . . 1 1 185 185 TRP N N 15 . -1.843 . . . . . . . 550 TRP H . 550 TRP N 26779 1 130 1DHN . 1 1 186 186 ALA H H 1 . . 1 1 186 186 ALA N N 15 . -1.600 . . . . . . . 551 ALA H . 551 ALA N 26779 1 131 1DHN . 1 1 187 187 GLY H H 1 . . 1 1 187 187 GLY N N 15 . -0.297 . . . . . . . 552 GLY H . 552 GLY N 26779 1 132 1DHN . 1 1 188 188 GLU H H 1 . . 1 1 188 188 GLU N N 15 . 6.701 . . . . . . . 553 GLU H . 553 GLU N 26779 1 133 1DHN . 1 1 189 189 ARG H H 1 . . 1 1 189 189 ARG N N 15 . -2.963 . . . . . . . 554 ARG H . 554 ARG N 26779 1 134 1DHN . 1 1 191 191 ARG H H 1 . . 1 1 191 191 ARG N N 15 . 3.807 . . . . . . . 556 ARG H . 556 ARG N 26779 1 135 1DHN . 1 1 192 192 ARG H H 1 . . 1 1 192 192 ARG N N 15 . 1.131 . . . . . . . 557 ARG H . 557 ARG N 26779 1 136 1DHN . 1 1 193 193 GLU H H 1 . . 1 1 193 193 GLU N N 15 . -1.489 . . . . . . . 558 GLU H . 558 GLU N 26779 1 137 1DHN . 1 1 194 194 LEU H H 1 . . 1 1 194 194 LEU N N 15 . -0.072 . . . . . . . 559 LEU H . 559 LEU N 26779 1 138 1DHN . 1 1 195 195 CYS H H 1 . . 1 1 195 195 CYS N N 15 . 0.678 . . . . . . . 560 CYS H . 560 CYS N 26779 1 139 1DHN . 1 1 196 196 SER H H 1 . . 1 1 196 196 SER N N 15 . -0.734 . . . . . . . 561 SER H . 561 SER N 26779 1 140 1DHN . 1 1 197 197 ARG H H 1 . . 1 1 197 197 ARG N N 15 . 0.864 . . . . . . . 562 ARG H . 562 ARG N 26779 1 141 1DHN . 1 1 198 198 LEU H H 1 . . 1 1 198 198 LEU N N 15 . 0.726 . . . . . . . 563 LEU H . 563 LEU N 26779 1 142 1DHN . 1 1 199 199 GLN H H 1 . . 1 1 199 199 GLN N N 15 . 0.612 . . . . . . . 564 GLN H . 564 GLN N 26779 1 143 1DHN . 1 1 200 200 ASP H H 1 . . 1 1 200 200 ASP N N 15 . 1.087 . . . . . . . 565 ASP H . 565 ASP N 26779 1 144 1DHN . 1 1 201 201 GLN H H 1 . . 1 1 201 201 GLN N N 15 . 0.700 . . . . . . . 566 GLN H . 566 GLN N 26779 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 26779 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 1 '2D 1H-15N HSQC' . . . 26779 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 6 6 PHE H H 1 . 1 1 6 6 PHE N N 15 0.321 0.021 . . . 371 PHE H . 371 PHE N 26779 1 2 . 1 1 7 7 GLN H H 1 . 1 1 7 7 GLN N N 15 0.287 0.019 . . . 372 GLN H . 372 GLN N 26779 1 3 . 1 1 8 8 SER H H 1 . 1 1 8 8 SER N N 15 0.574 0.046 . . . 373 SER H . 373 SER N 26779 1 4 . 1 1 10 10 HIS H H 1 . 1 1 10 10 HIS N N 15 0.188 0.089 . . . 375 HIS H . 375 HIS N 26779 1 5 . 1 1 12 12 GLU H H 1 . 1 1 12 12 GLU N N 15 0.467 0.111 . . . 377 GLU H . 377 GLU N 26779 1 6 . 1 1 24 24 GLN H H 1 . 1 1 24 24 GLN N N 15 0.654 0.042 . . . 389 GLN H . 389 GLN N 26779 1 7 . 1 1 25 25 THR H H 1 . 1 1 25 25 THR N N 15 0.735 0.032 . . . 390 THR H . 390 THR N 26779 1 8 . 1 1 26 26 VAL H H 1 . 1 1 26 26 VAL N N 15 0.860 0.038 . . . 391 VAL H . 391 VAL N 26779 1 9 . 1 1 27 27 ASP H H 1 . 1 1 27 27 ASP N N 15 0.733 0.018 . . . 392 ASP H . 392 ASP N 26779 1 10 . 1 1 28 28 GLY H H 1 . 1 1 28 28 GLY N N 15 0.671 0.028 . . . 393 GLY H . 393 GLY N 26779 1 11 . 1 1 29 29 LYS H H 1 . 1 1 29 29 LYS N N 15 0.717 0.037 . . . 394 LYS H . 394 LYS N 26779 1 12 . 1 1 30 30 HIS H H 1 . 1 1 30 30 HIS N N 15 0.806 0.040 . . . 395 HIS H . 395 HIS N 26779 1 13 . 1 1 31 31 GLN H H 1 . 1 1 31 31 GLN N N 15 0.689 0.046 . . . 396 GLN H . 396 GLN N 26779 1 14 . 1 1 32 32 ASP H H 1 . 1 1 32 32 ASP N N 15 0.783 0.042 . . . 397 ASP H . 397 ASP N 26779 1 15 . 1 1 33 33 LEU H H 1 . 1 1 33 33 LEU N N 15 0.782 0.023 . . . 398 LEU H . 398 LEU N 26779 1 16 . 1 1 34 34 LYS H H 1 . 1 1 34 34 LYS N N 15 0.816 0.059 . . . 399 LYS H . 399 LYS N 26779 1 17 . 1 1 35 35 TYR H H 1 . 1 1 35 35 TYR N N 15 0.791 0.043 . . . 400 TYR H . 400 TYR N 26779 1 18 . 1 1 36 36 ILE H H 1 . 1 1 36 36 ILE N N 15 0.849 0.041 . . . 401 ILE H . 401 ILE N 26779 1 19 . 1 1 37 37 SER H H 1 . 1 1 37 37 SER N N 15 0.790 0.037 . . . 402 SER H . 402 SER N 26779 1 20 . 1 1 39 39 GLU H H 1 . 1 1 39 39 GLU N N 15 0.834 0.024 . . . 404 GLU H . 404 GLU N 26779 1 21 . 1 1 40 40 THR H H 1 . 1 1 40 40 THR N N 15 0.866 0.034 . . . 405 THR H . 405 THR N 26779 1 22 . 1 1 41 41 MET H H 1 . 1 1 41 41 MET N N 15 0.893 0.035 . . . 406 MET H . 406 MET N 26779 1 23 . 1 1 42 42 VAL H H 1 . 1 1 42 42 VAL N N 15 0.803 0.026 . . . 407 VAL H . 407 VAL N 26779 1 24 . 1 1 43 43 ALA H H 1 . 1 1 43 43 ALA N N 15 0.866 0.028 . . . 408 ALA H . 408 ALA N 26779 1 25 . 1 1 44 44 LEU H H 1 . 1 1 44 44 LEU N N 15 0.786 0.027 . . . 409 LEU H . 409 LEU N 26779 1 26 . 1 1 45 45 LEU H H 1 . 1 1 45 45 LEU N N 15 0.863 0.027 . . . 410 LEU H . 410 LEU N 26779 1 27 . 1 1 46 46 THR H H 1 . 1 1 46 46 THR N N 15 0.839 0.037 . . . 411 THR H . 411 THR N 26779 1 28 . 1 1 47 47 GLY H H 1 . 1 1 47 47 GLY N N 15 0.741 0.030 . . . 412 GLY H . 412 GLY N 26779 1 29 . 1 1 48 48 LYS H H 1 . 1 1 48 48 LYS N N 15 0.781 0.031 . . . 413 LYS H . 413 LYS N 26779 1 30 . 1 1 49 49 PHE H H 1 . 1 1 49 49 PHE N N 15 0.777 0.037 . . . 414 PHE H . 414 PHE N 26779 1 31 . 1 1 50 50 SER H H 1 . 1 1 50 50 SER N N 15 0.858 0.029 . . . 415 SER H . 415 SER N 26779 1 32 . 1 1 51 51 ASN H H 1 . 1 1 51 51 ASN N N 15 0.887 0.044 . . . 416 ASN H . 416 ASN N 26779 1 33 . 1 1 53 53 VAL H H 1 . 1 1 53 53 VAL N N 15 0.591 0.032 . . . 418 VAL H . 418 VAL N 26779 1 34 . 1 1 54 54 ASP H H 1 . 1 1 54 54 ASP N N 15 0.620 0.078 . . . 419 ASP H . 419 ASP N 26779 1 35 . 1 1 56 56 PHE H H 1 . 1 1 56 56 PHE N N 15 0.821 0.023 . . . 421 PHE H . 421 PHE N 26779 1 36 . 1 1 57 57 VAL H H 1 . 1 1 57 57 VAL N N 15 0.887 0.079 . . . 422 VAL H . 422 VAL N 26779 1 37 . 1 1 58 58 ILE H H 1 . 1 1 58 58 ILE N N 15 0.833 0.032 . . . 423 ILE H . 423 ILE N 26779 1 38 . 1 1 59 59 VAL H H 1 . 1 1 59 59 VAL N N 15 0.810 0.042 . . . 424 VAL H . 424 VAL N 26779 1 39 . 1 1 60 60 ASP H H 1 . 1 1 60 60 ASP N N 15 0.813 0.038 . . . 425 ASP H . 425 ASP N 26779 1 40 . 1 1 61 61 CYS H H 1 . 1 1 61 61 CYS N N 15 0.823 0.052 . . . 426 CYS H . 426 CYS N 26779 1 41 . 1 1 62 62 ARG H H 1 . 1 1 62 62 ARG N N 15 0.853 0.035 . . . 427 ARG H . 427 ARG N 26779 1 42 . 1 1 63 63 TYR H H 1 . 1 1 63 63 TYR N N 15 0.829 0.030 . . . 428 TYR H . 428 TYR N 26779 1 43 . 1 1 65 65 TYR H H 1 . 1 1 65 65 TYR N N 15 0.786 0.046 . . . 430 TYR H . 430 TYR N 26779 1 44 . 1 1 66 66 GLU H H 1 . 1 1 66 66 GLU N N 15 0.774 0.038 . . . 431 GLU H . 431 GLU N 26779 1 45 . 1 1 67 67 TYR H H 1 . 1 1 67 67 TYR N N 15 0.895 0.047 . . . 432 TYR H . 432 TYR N 26779 1 46 . 1 1 68 68 GLU H H 1 . 1 1 68 68 GLU N N 15 0.797 0.078 . . . 433 GLU H . 433 GLU N 26779 1 47 . 1 1 69 69 GLY H H 1 . 1 1 69 69 GLY N N 15 0.791 0.036 . . . 434 GLY H . 434 GLY N 26779 1 48 . 1 1 70 70 GLY H H 1 . 1 1 70 70 GLY N N 15 0.821 0.037 . . . 435 GLY H . 435 GLY N 26779 1 49 . 1 1 71 71 HIS H H 1 . 1 1 71 71 HIS N N 15 0.909 0.037 . . . 436 HIS H . 436 HIS N 26779 1 50 . 1 1 72 72 ILE H H 1 . 1 1 72 72 ILE N N 15 0.871 0.070 . . . 437 ILE H . 437 ILE N 26779 1 51 . 1 1 74 74 THR H H 1 . 1 1 74 74 THR N N 15 0.826 0.068 . . . 439 THR H . 439 THR N 26779 1 52 . 1 1 75 75 ALA H H 1 . 1 1 75 75 ALA N N 15 0.794 0.054 . . . 440 ALA H . 440 ALA N 26779 1 53 . 1 1 76 76 VAL H H 1 . 1 1 76 76 VAL N N 15 0.921 0.039 . . . 441 VAL H . 441 VAL N 26779 1 54 . 1 1 77 77 ASN H H 1 . 1 1 77 77 ASN N N 15 0.831 0.028 . . . 442 ASN H . 442 ASN N 26779 1 55 . 1 1 78 78 LEU H H 1 . 1 1 78 78 LEU N N 15 0.849 0.040 . . . 443 LEU H . 443 LEU N 26779 1 56 . 1 1 80 80 LEU H H 1 . 1 1 80 80 LEU N N 15 0.763 0.033 . . . 445 LEU H . 445 LEU N 26779 1 57 . 1 1 81 81 GLU H H 1 . 1 1 81 81 GLU N N 15 0.844 0.056 . . . 446 GLU H . 446 GLU N 26779 1 58 . 1 1 82 82 ARG H H 1 . 1 1 82 82 ARG N N 15 0.870 0.044 . . . 447 ARG H . 447 ARG N 26779 1 59 . 1 1 83 83 ASP H H 1 . 1 1 83 83 ASP N N 15 0.759 0.035 . . . 448 ASP H . 448 ASP N 26779 1 60 . 1 1 84 84 ALA H H 1 . 1 1 84 84 ALA N N 15 0.703 0.031 . . . 449 ALA H . 449 ALA N 26779 1 61 . 1 1 85 85 GLU H H 1 . 1 1 85 85 GLU N N 15 0.845 0.034 . . . 450 GLU H . 450 GLU N 26779 1 62 . 1 1 86 86 SER H H 1 . 1 1 86 86 SER N N 15 0.753 0.033 . . . 451 SER H . 451 SER N 26779 1 63 . 1 1 87 87 PHE H H 1 . 1 1 87 87 PHE N N 15 0.796 0.035 . . . 452 PHE H . 452 PHE N 26779 1 64 . 1 1 88 88 LEU H H 1 . 1 1 88 88 LEU N N 15 0.823 0.049 . . . 453 LEU H . 453 LEU N 26779 1 65 . 1 1 89 89 LEU H H 1 . 1 1 89 89 LEU N N 15 0.857 0.047 . . . 454 LEU H . 454 LEU N 26779 1 66 . 1 1 90 90 LYS H H 1 . 1 1 90 90 LYS N N 15 0.710 0.040 . . . 455 LYS H . 455 LYS N 26779 1 67 . 1 1 91 91 SER H H 1 . 1 1 91 91 SER N N 15 0.603 0.031 . . . 456 SER H . 456 SER N 26779 1 68 . 1 1 103 103 ILE H H 1 . 1 1 103 103 ILE N N 15 0.765 0.056 . . . 468 ILE H . 468 ILE N 26779 1 69 . 1 1 104 104 LEU H H 1 . 1 1 104 104 LEU N N 15 0.864 0.043 . . . 469 LEU H . 469 LEU N 26779 1 70 . 1 1 105 105 ILE H H 1 . 1 1 105 105 ILE N N 15 0.786 0.030 . . . 470 ILE H . 470 ILE N 26779 1 71 . 1 1 106 106 PHE H H 1 . 1 1 106 106 PHE N N 15 0.832 0.052 . . . 471 PHE H . 471 PHE N 26779 1 72 . 1 1 107 107 HIS H H 1 . 1 1 107 107 HIS N N 15 0.804 0.031 . . . 472 HIS H . 472 HIS N 26779 1 73 . 1 1 117 117 ARG H H 1 . 1 1 117 117 ARG N N 15 0.844 0.033 . . . 482 ARG H . 482 ARG N 26779 1 74 . 1 1 118 118 MET H H 1 . 1 1 118 118 MET N N 15 0.780 0.037 . . . 483 MET H . 483 MET N 26779 1 75 . 1 1 119 119 CYS H H 1 . 1 1 119 119 CYS N N 15 0.790 0.043 . . . 484 CYS H . 484 CYS N 26779 1 76 . 1 1 120 120 ARG H H 1 . 1 1 120 120 ARG N N 15 0.834 0.041 . . . 485 ARG H . 485 ARG N 26779 1 77 . 1 1 121 121 PHE H H 1 . 1 1 121 121 PHE N N 15 0.827 0.028 . . . 486 PHE H . 486 PHE N 26779 1 78 . 1 1 122 122 ILE H H 1 . 1 1 122 122 ILE N N 15 0.903 0.048 . . . 487 ILE H . 487 ILE N 26779 1 79 . 1 1 124 124 GLU H H 1 . 1 1 124 124 GLU N N 15 0.841 0.021 . . . 489 GLU H . 489 GLU N 26779 1 80 . 1 1 125 125 ARG H H 1 . 1 1 125 125 ARG N N 15 0.844 0.019 . . . 490 ARG H . 490 ARG N 26779 1 81 . 1 1 126 126 ASP H H 1 . 1 1 126 126 ASP N N 15 0.943 0.048 . . . 491 ASP H . 491 ASP N 26779 1 82 . 1 1 127 127 ARG H H 1 . 1 1 127 127 ARG N N 15 0.875 0.079 . . . 492 ARG H . 492 ARG N 26779 1 83 . 1 1 128 128 ALA H H 1 . 1 1 128 128 ALA N N 15 0.803 0.023 . . . 493 ALA H . 493 ALA N 26779 1 84 . 1 1 129 129 VAL H H 1 . 1 1 129 129 VAL N N 15 0.659 0.077 . . . 494 VAL H . 494 VAL N 26779 1 85 . 1 1 130 130 ASN H H 1 . 1 1 130 130 ASN N N 15 0.855 0.039 . . . 495 ASN H . 495 ASN N 26779 1 86 . 1 1 131 131 ASP H H 1 . 1 1 131 131 ASP N N 15 0.780 0.038 . . . 496 ASP H . 496 ASP N 26779 1 87 . 1 1 132 132 TYR H H 1 . 1 1 132 132 TYR N N 15 0.823 0.038 . . . 497 TYR H . 497 TYR N 26779 1 88 . 1 1 140 140 MET H H 1 . 1 1 140 140 MET N N 15 0.994 0.099 . . . 505 MET H . 505 MET N 26779 1 89 . 1 1 141 141 TYR H H 1 . 1 1 141 141 TYR N N 15 0.772 0.068 . . . 506 TYR H . 506 TYR N 26779 1 90 . 1 1 142 142 ILE H H 1 . 1 1 142 142 ILE N N 15 0.807 0.047 . . . 507 ILE H . 507 ILE N 26779 1 91 . 1 1 143 143 LEU H H 1 . 1 1 143 143 LEU N N 15 0.830 0.034 . . . 508 LEU H . 508 LEU N 26779 1 92 . 1 1 144 144 LYS H H 1 . 1 1 144 144 LYS N N 15 0.881 0.067 . . . 509 LYS H . 509 LYS N 26779 1 93 . 1 1 145 145 GLY H H 1 . 1 1 145 145 GLY N N 15 0.884 0.053 . . . 510 GLY H . 510 GLY N 26779 1 94 . 1 1 146 146 GLY H H 1 . 1 1 146 146 GLY N N 15 0.815 0.054 . . . 511 GLY H . 511 GLY N 26779 1 95 . 1 1 148 148 LYS H H 1 . 1 1 148 148 LYS N N 15 0.850 0.038 . . . 513 LYS H . 513 LYS N 26779 1 96 . 1 1 149 149 GLU H H 1 . 1 1 149 149 GLU N N 15 0.797 0.033 . . . 514 GLU H . 514 GLU N 26779 1 97 . 1 1 150 150 PHE H H 1 . 1 1 150 150 PHE N N 15 0.824 0.032 . . . 515 PHE H . 515 PHE N 26779 1 98 . 1 1 151 151 PHE H H 1 . 1 1 151 151 PHE N N 15 0.811 0.031 . . . 516 PHE H . 516 PHE N 26779 1 99 . 1 1 153 153 GLN H H 1 . 1 1 153 153 GLN N N 15 0.776 0.035 . . . 518 GLN H . 518 GLN N 26779 1 100 . 1 1 154 154 HIS H H 1 . 1 1 154 154 HIS N N 15 0.831 0.030 . . . 519 HIS H . 519 HIS N 26779 1 101 . 1 1 156 156 ASN H H 1 . 1 1 156 156 ASN N N 15 0.864 0.030 . . . 521 ASN H . 521 ASN N 26779 1 102 . 1 1 157 157 PHE H H 1 . 1 1 157 157 PHE N N 15 0.825 0.025 . . . 522 PHE H . 522 PHE N 26779 1 103 . 1 1 158 158 CYS H H 1 . 1 1 158 158 CYS N N 15 0.794 0.027 . . . 523 CYS H . 523 CYS N 26779 1 104 . 1 1 159 159 GLU H H 1 . 1 1 159 159 GLU N N 15 0.809 0.035 . . . 524 GLU H . 524 GLU N 26779 1 105 . 1 1 161 161 GLN H H 1 . 1 1 161 161 GLN N N 15 0.806 0.027 . . . 526 GLN H . 526 GLN N 26779 1 106 . 1 1 162 162 ASP H H 1 . 1 1 162 162 ASP N N 15 0.850 0.030 . . . 527 ASP H . 527 ASP N 26779 1 107 . 1 1 163 163 TYR H H 1 . 1 1 163 163 TYR N N 15 0.815 0.029 . . . 528 TYR H . 528 TYR N 26779 1 108 . 1 1 164 164 ARG H H 1 . 1 1 164 164 ARG N N 15 0.909 0.078 . . . 529 ARG H . 529 ARG N 26779 1 109 . 1 1 166 166 MET H H 1 . 1 1 166 166 MET N N 15 0.684 0.045 . . . 531 MET H . 531 MET N 26779 1 110 . 1 1 167 167 ASN H H 1 . 1 1 167 167 ASN N N 15 0.828 0.041 . . . 532 ASN H . 532 ASN N 26779 1 111 . 1 1 168 168 HIS H H 1 . 1 1 168 168 HIS N N 15 0.738 0.036 . . . 533 HIS H . 533 HIS N 26779 1 112 . 1 1 169 169 GLU H H 1 . 1 1 169 169 GLU N N 15 0.699 0.042 . . . 534 GLU H . 534 GLU N 26779 1 113 . 1 1 170 170 ALA H H 1 . 1 1 170 170 ALA N N 15 0.728 0.110 . . . 535 ALA H . 535 ALA N 26779 1 114 . 1 1 171 171 PHE H H 1 . 1 1 171 171 PHE N N 15 0.717 0.028 . . . 536 PHE H . 536 PHE N 26779 1 115 . 1 1 172 172 LYS H H 1 . 1 1 172 172 LYS N N 15 0.793 0.032 . . . 537 LYS H . 537 LYS N 26779 1 116 . 1 1 173 173 ASP H H 1 . 1 1 173 173 ASP N N 15 0.729 0.027 . . . 538 ASP H . 538 ASP N 26779 1 117 . 1 1 174 174 GLU H H 1 . 1 1 174 174 GLU N N 15 0.765 0.022 . . . 539 GLU H . 539 GLU N 26779 1 118 . 1 1 176 176 LYS H H 1 . 1 1 176 176 LYS N N 15 0.796 0.025 . . . 541 LYS H . 541 LYS N 26779 1 119 . 1 1 177 177 THR H H 1 . 1 1 177 177 THR N N 15 0.818 0.033 . . . 542 THR H . 542 THR N 26779 1 120 . 1 1 178 178 PHE H H 1 . 1 1 178 178 PHE N N 15 0.743 0.033 . . . 543 PHE H . 543 PHE N 26779 1 121 . 1 1 179 179 ARG H H 1 . 1 1 179 179 ARG N N 15 0.790 0.040 . . . 544 ARG H . 544 ARG N 26779 1 122 . 1 1 180 180 LEU H H 1 . 1 1 180 180 LEU N N 15 0.721 0.022 . . . 545 LEU H . 545 LEU N 26779 1 123 . 1 1 181 181 LYS H H 1 . 1 1 181 181 LYS N N 15 0.725 0.033 . . . 546 LYS H . 546 LYS N 26779 1 124 . 1 1 182 182 THR H H 1 . 1 1 182 182 THR N N 15 0.618 0.042 . . . 547 THR H . 547 THR N 26779 1 125 . 1 1 183 183 ARG H H 1 . 1 1 183 183 ARG N N 15 0.673 0.041 . . . 548 ARG H . 548 ARG N 26779 1 126 . 1 1 184 184 SER H H 1 . 1 1 184 184 SER N N 15 0.509 0.034 . . . 549 SER H . 549 SER N 26779 1 127 . 1 1 185 185 TRP H H 1 . 1 1 185 185 TRP N N 15 0.556 0.030 . . . 550 TRP H . 550 TRP N 26779 1 128 . 1 1 186 186 ALA H H 1 . 1 1 186 186 ALA N N 15 0.455 0.036 . . . 551 ALA H . 551 ALA N 26779 1 129 . 1 1 187 187 GLY H H 1 . 1 1 187 187 GLY N N 15 0.401 0.043 . . . 552 GLY H . 552 GLY N 26779 1 130 . 1 1 188 188 GLU H H 1 . 1 1 188 188 GLU N N 15 0.362 0.022 . . . 553 GLU H . 553 GLU N 26779 1 131 . 1 1 189 189 ARG H H 1 . 1 1 189 189 ARG N N 15 0.334 0.020 . . . 554 ARG H . 554 ARG N 26779 1 132 . 1 1 193 193 GLU H H 1 . 1 1 193 193 GLU N N 15 0.302 0.028 . . . 558 GLU H . 558 GLU N 26779 1 133 . 1 1 197 197 ARG H H 1 . 1 1 197 197 ARG N N 15 0.438 0.086 . . . 562 ARG H . 562 ARG N 26779 1 134 . 1 1 198 198 LEU H H 1 . 1 1 198 198 LEU N N 15 0.128 0.017 . . . 563 LEU H . 563 LEU N 26779 1 135 . 1 1 201 201 GLN H H 1 . 1 1 201 201 GLN N N 15 -0.274 0.020 . . . 566 GLN H . 566 GLN N 26779 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 26779 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 800 _Heteronucl_T1_list.T1_coherence_type Iz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 '2D 1H-15N HSQC' . . . 26779 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 6 6 PHE N N 15 0.804505 0.00711952 . . 371 PHE N 26779 1 2 . 1 1 7 7 GLN N N 15 0.803859 0.00840045 . . 372 GLN N 26779 1 3 . 1 1 8 8 SER N N 15 0.982318 0.0221938 . . 373 SER N 26779 1 4 . 1 1 10 10 HIS N N 15 1.0395 0.0280946 . . 375 HIS N 26779 1 5 . 1 1 12 12 GLU N N 15 0.97561 0.0456871 . . 377 GLU N 26779 1 6 . 1 1 24 24 GLN N N 15 1.36799 0.0299423 . . 389 GLN N 26779 1 7 . 1 1 25 25 THR N N 15 1.5083 0.0204746 . . 390 THR N 26779 1 8 . 1 1 26 26 VAL N N 15 1.33511 0.0213903 . . 391 VAL N 26779 1 9 . 1 1 27 27 ASP N N 15 1.2837 0.00823939 . . 392 ASP N 26779 1 10 . 1 1 28 28 GLY N N 15 1.5456 0.0191109 . . 393 GLY N 26779 1 11 . 1 1 29 29 LYS N N 15 1.51745 0.0322372 . . 394 LYS N 26779 1 12 . 1 1 30 30 HIS N N 15 1.31926 0.019145 . . 395 HIS N 26779 1 13 . 1 1 31 31 GLN N N 15 1.57978 0.0474183 . . 396 GLN N 26779 1 14 . 1 1 32 32 ASP N N 15 1.35135 0.0255661 . . 397 ASP N 26779 1 15 . 1 1 33 33 LEU N N 15 1.41044 0.0139253 . . 398 LEU N 26779 1 16 . 1 1 34 34 LYS N N 15 1.57233 0.0444998 . . 399 LYS N 26779 1 17 . 1 1 35 35 TYR N N 15 1.39665 0.0273088 . . 400 TYR N 26779 1 18 . 1 1 36 36 ILE N N 15 1.4771 0.0240002 . . 401 ILE N 26779 1 19 . 1 1 37 37 SER N N 15 1.42248 0.0283281 . . 402 SER N 26779 1 20 . 1 1 39 39 GLU N N 15 1.30548 0.01193 . . 404 GLU N 26779 1 21 . 1 1 40 40 THR N N 15 1.37174 0.0169351 . . 405 THR N 26779 1 22 . 1 1 41 41 MET N N 15 1.27065 0.0145309 . . 406 MET N 26779 1 23 . 1 1 42 42 VAL N N 15 1.28205 0.0115056 . . 407 VAL N 26779 1 24 . 1 1 43 43 ALA N N 15 1.25313 0.0109924 . . 408 ALA N 26779 1 25 . 1 1 44 44 LEU N N 15 1.40845 0.0178536 . . 409 LEU N 26779 1 26 . 1 1 45 45 LEU N N 15 1.39276 0.017458 . . 410 LEU N 26779 1 27 . 1 1 46 46 THR N N 15 1.32626 0.0158307 . . 411 THR N 26779 1 28 . 1 1 47 47 GLY N N 15 1.38889 0.0154321 . . 412 GLY N 26779 1 29 . 1 1 48 48 LYS N N 15 1.33869 0.0143367 . . 413 LYS N 26779 1 30 . 1 1 49 49 PHE N N 15 1.40647 0.0217597 . . 414 PHE N 26779 1 31 . 1 1 50 50 SER N N 15 1.34048 0.0197658 . . 415 SER N 26779 1 32 . 1 1 51 51 ASN N N 15 1.33333 0.0373333 . . 416 ASN N 26779 1 33 . 1 1 53 53 VAL N N 15 1.23609 0.0198631 . . 418 VAL N 26779 1 34 . 1 1 54 54 ASP N N 15 1.27226 0.0679836 . . 419 ASP N 26779 1 35 . 1 1 56 56 PHE N N 15 1.39665 0.0136544 . . 421 PHE N 26779 1 36 . 1 1 57 57 VAL N N 15 1.42045 0.0504423 . . 422 VAL N 26779 1 37 . 1 1 58 58 ILE N N 15 1.4245 0.0182628 . . 423 ILE N 26779 1 38 . 1 1 59 59 VAL N N 15 1.43885 0.028984 . . 424 VAL N 26779 1 39 . 1 1 60 60 ASP N N 15 1.4245 0.0243505 . . 425 ASP N 26779 1 40 . 1 1 61 61 CYS N N 15 1.4245 0.0304381 . . 426 CYS N 26779 1 41 . 1 1 62 62 ARG N N 15 1.4556 0.0254254 . . 427 ARG N 26779 1 42 . 1 1 63 63 TYR N N 15 1.43678 0.0350938 . . 428 TYR N 26779 1 43 . 1 1 65 65 TYR N N 15 1.35318 0.0256353 . . 430 TYR N 26779 1 44 . 1 1 66 66 GLU N N 15 1.287 0.0215328 . . 431 GLU N 26779 1 45 . 1 1 67 67 TYR N N 15 1.42248 0.0283281 . . 432 TYR N 26779 1 46 . 1 1 68 68 GLU N N 15 1.40252 0.0904855 . . 433 GLU N 26779 1 47 . 1 1 69 69 GLY N N 15 1.33333 0.0195556 . . 434 GLY N 26779 1 48 . 1 1 70 70 GLY N N 15 1.43678 0.0185791 . . 435 GLY N 26779 1 49 . 1 1 71 71 HIS N N 15 1.30378 0.0169984 . . 436 HIS N 26779 1 50 . 1 1 72 72 ILE N N 15 1.35501 0.0532458 . . 437 ILE N 26779 1 51 . 1 1 74 74 THR N N 15 1.65017 0.06263 . . 439 THR N 26779 1 52 . 1 1 75 75 ALA N N 15 1.17509 0.0276166 . . 440 ALA N 26779 1 53 . 1 1 76 76 VAL N N 15 1.37552 0.0189204 . . 441 VAL N 26779 1 54 . 1 1 77 77 ASN N N 15 1.287 0.013251 . . 442 ASN N 26779 1 55 . 1 1 78 78 LEU N N 15 1.47275 0.023859 . . 443 LEU N 26779 1 56 . 1 1 80 80 LEU N N 15 1.40845 0.0158699 . . 445 LEU N 26779 1 57 . 1 1 81 81 GLU N N 15 1.40056 0.0353082 . . 446 GLU N 26779 1 58 . 1 1 82 82 ARG N N 15 1.34409 0.0234854 . . 447 ARG N 26779 1 59 . 1 1 83 83 ASP N N 15 1.36612 0.0149303 . . 448 ASP N 26779 1 60 . 1 1 84 84 ALA N N 15 1.30548 0.0187471 . . 449 ALA N 26779 1 61 . 1 1 85 85 GLU N N 15 1.5015 0.0180361 . . 450 GLU N 26779 1 62 . 1 1 86 86 SER N N 15 1.44509 0.0187945 . . 451 SER N 26779 1 63 . 1 1 87 87 PHE N N 15 1.37552 0.0151364 . . 452 PHE N 26779 1 64 . 1 1 88 88 LEU N N 15 1.45138 0.0315975 . . 453 LEU N 26779 1 65 . 1 1 89 89 LEU N N 15 1.39276 0.0213375 . . 454 LEU N 26779 1 66 . 1 1 90 90 LYS N N 15 1.49701 0.0201692 . . 455 LYS N 26779 1 67 . 1 1 91 91 SER N N 15 1.43472 0.0164674 . . 456 SER N 26779 1 68 . 1 1 103 103 ILE N N 15 1.34409 0.0361313 . . 468 ILE N 26779 1 69 . 1 1 104 104 LEU N N 15 1.37552 0.0245966 . . 469 LEU N 26779 1 70 . 1 1 105 105 ILE N N 15 1.39276 0.0193977 . . 470 ILE N 26779 1 71 . 1 1 106 106 PHE N N 15 1.45349 0.0338021 . . 471 PHE N 26779 1 72 . 1 1 107 107 HIS N N 15 1.40056 0.0196157 . . 472 HIS N 26779 1 73 . 1 1 117 117 ARG N N 15 1.45773 0.0191247 . . 482 ARG N 26779 1 74 . 1 1 118 118 MET N N 15 1.33333 0.0213333 . . 483 MET N 26779 1 75 . 1 1 119 119 CYS N N 15 1.40449 0.0236713 . . 484 CYS N 26779 1 76 . 1 1 120 120 ARG N N 15 1.37174 0.0282251 . . 485 ARG N 26779 1 77 . 1 1 121 121 PHE N N 15 1.32626 0.0175897 . . 486 PHE N 26779 1 78 . 1 1 122 122 ILE N N 15 1.3986 0.0273852 . . 487 ILE N 26779 1 79 . 1 1 123 123 ARG N N 15 1.44928 0.0378072 . . 488 ARG N 26779 1 80 . 1 1 125 125 ARG N N 15 1.37741 0.0113836 . . 490 ARG N 26779 1 81 . 1 1 126 126 ASP N N 15 1.31926 0.0226259 . . 491 ASP N 26779 1 82 . 1 1 127 127 ARG N N 15 1.28866 0.0664258 . . 492 ARG N 26779 1 83 . 1 1 128 128 ALA N N 15 1.39665 0.0117038 . . 493 ALA N 26779 1 84 . 1 1 129 129 VAL N N 15 1.37931 0.0570749 . . 494 VAL N 26779 1 85 . 1 1 130 130 ASN N N 15 1.39082 0.0174094 . . 495 ASN N 26779 1 86 . 1 1 131 131 ASP N N 15 1.42248 0.0222578 . . 496 ASP N 26779 1 87 . 1 1 132 132 TYR N N 15 1.45985 0.0277053 . . 497 TYR N 26779 1 88 . 1 1 140 140 MET N N 15 1.49701 0.0761949 . . 505 MET N 26779 1 89 . 1 1 141 141 TYR N N 15 1.41844 0.0543232 . . 506 TYR N 26779 1 90 . 1 1 142 142 ILE N N 15 1.46843 0.0345005 . . 507 ILE N 26779 1 91 . 1 1 143 143 LEU N N 15 1.32802 0.0211637 . . 508 LEU N 26779 1 92 . 1 1 144 144 LYS N N 15 1.34048 0.0305472 . . 509 LYS N 26779 1 93 . 1 1 145 145 GLY N N 15 1.23457 0.0320073 . . 510 GLY N 26779 1 94 . 1 1 146 146 GLY N N 15 1.51745 0.0345398 . . 511 GLY N 26779 1 95 . 1 1 148 148 LYS N N 15 1.34228 0.0198189 . . 513 LYS N 26779 1 96 . 1 1 149 149 GLU N N 15 1.3624 0.0167052 . . 514 GLU N 26779 1 97 . 1 1 150 150 PHE N N 15 1.32979 0.015915 . . 515 PHE N 26779 1 98 . 1 1 151 151 PHE N N 15 1.33511 0.0196078 . . 516 PHE N 26779 1 99 . 1 1 153 153 GLN N N 15 1.42248 0.0161875 . . 518 GLN N 26779 1 100 . 1 1 154 154 HIS N N 15 1.54799 0.0143776 . . 519 HIS N 26779 1 101 . 1 1 156 156 ASN N N 15 1.287 0.0115946 . . 521 ASN N 26779 1 102 . 1 1 157 157 PHE N N 15 1.33333 0.0106667 . . 522 PHE N 26779 1 103 . 1 1 158 158 CYS N N 15 1.41844 0.0140838 . . 523 CYS N 26779 1 104 . 1 1 159 159 GLU N N 15 1.35318 0.018311 . . 524 GLU N 26779 1 105 . 1 1 161 161 GLN N N 15 1.443 0.016658 . . 526 GLN N 26779 1 106 . 1 1 162 162 ASP N N 15 1.46628 0.0171997 . . 527 ASP N 26779 1 107 . 1 1 163 163 TYR N N 15 1.6 0.01792 . . 528 TYR N 26779 1 108 . 1 1 164 164 ARG N N 15 1.41243 0.0518689 . . 529 ARG N 26779 1 109 . 1 1 166 166 MET N N 15 1.43885 0.0351949 . . 531 MET N 26779 1 110 . 1 1 167 167 ASN N N 15 1.42857 0.0265306 . . 532 ASN N 26779 1 111 . 1 1 168 168 HIS N N 15 1.45773 0.0276245 . . 533 HIS N 26779 1 112 . 1 1 169 169 GLU N N 15 1.28535 0.0313902 . . 534 GLU N 26779 1 113 . 1 1 170 170 ALA N N 15 1.52439 0.148721 . . 535 ALA N 26779 1 114 . 1 1 171 171 PHE N N 15 1.38696 0.0192367 . . 536 PHE N 26779 1 115 . 1 1 172 172 LYS N N 15 1.31926 0.0139236 . . 537 LYS N 26779 1 116 . 1 1 173 173 ASP N N 15 1.3089 0.0137058 . . 538 ASP N 26779 1 117 . 1 1 174 174 GLU N N 15 1.287 0.0115946 . . 539 GLU N 26779 1 118 . 1 1 176 176 LYS N N 15 1.29366 0.0133885 . . 541 LYS N 26779 1 119 . 1 1 177 177 THR N N 15 1.28866 0.0132852 . . 542 THR N 26779 1 120 . 1 1 178 178 PHE N N 15 1.21803 0.0148359 . . 543 PHE N 26779 1 121 . 1 1 179 179 ARG N N 15 1.24224 0.0169747 . . 544 ARG N 26779 1 122 . 1 1 180 180 LEU N N 15 1.21951 0.0104105 . . 545 LEU N 26779 1 123 . 1 1 181 181 LYS N N 15 1.18203 0.0167664 . . 546 LYS N 26779 1 124 . 1 1 182 182 THR N N 15 1.21803 0.0267046 . . 547 THR N 26779 1 125 . 1 1 183 183 ARG N N 15 1.09769 0.0192789 . . 548 ARG N 26779 1 126 . 1 1 184 184 SER N N 15 0.853242 0.0167445 . . 549 SER N 26779 1 127 . 1 1 185 185 TRP N N 15 0.933707 0.0148207 . . 550 TRP N 26779 1 128 . 1 1 186 186 ALA N N 15 0.84317 0.0184843 . . 551 ALA N 26779 1 129 . 1 1 187 187 GLY N N 15 0.824402 0.0217485 . . 552 GLY N 26779 1 130 . 1 1 188 188 GLU N N 15 0.834725 0.00836118 . . 553 GLU N 26779 1 131 . 1 1 189 189 ARG N N 15 0.848176 0.0136687 . . 554 ARG N 26779 1 132 . 1 1 193 193 GLU N N 15 0.83682 0.00840321 . . 558 GLU N 26779 1 133 . 1 1 194 194 LEU N N 15 0.757002 0.0160455 . . 559 LEU N 26779 1 134 . 1 1 198 198 LEU N N 15 0.781861 0.00611306 . . 563 LEU N 26779 1 135 . 1 1 199 199 GLN N N 15 0.93985 0.0203163 . . 564 GLN N 26779 1 136 . 1 1 200 200 ASP N N 15 0.993049 0.0128199 . . 565 ASP N 26779 1 137 . 1 1 201 201 GLN N N 15 1.18343 0.00700256 . . 566 GLN N 26779 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 26779 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 800 _Heteronucl_T2_list.T2_coherence_type I(+,-) _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 1 '2D 1H-15N HSQC' . . . 26779 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 6 6 PHE N N 15 0.163106 0.00654444 . . . . 371 PHE N 26779 1 2 . 1 1 7 7 GLN N N 15 0.166306 0.0157649 . . . . 372 GLN N 26779 1 3 . 1 1 10 10 HIS N N 15 0.122579 0.00398179 . . . . 375 HIS N 26779 1 4 . 1 1 12 12 GLU N N 15 0.0815661 0.00232856 . . . . 377 GLU N 26779 1 5 . 1 1 24 24 GLN N N 15 0.0553618 0.00136389 . . . . 389 GLN N 26779 1 6 . 1 1 26 26 VAL N N 15 0.052626 0.00104133 . . . . 391 VAL N 26779 1 7 . 1 1 27 27 ASP N N 15 0.0670376 0.00127181 . . . . 392 ASP N 26779 1 8 . 1 1 28 28 GLY N N 15 0.0680226 0.000481215 . . . . 393 GLY N 26779 1 9 . 1 1 29 29 LYS N N 15 0.0511797 0.000599834 . . . . 394 LYS N 26779 1 10 . 1 1 33 33 LEU N N 15 0.047335 0.00140262 . . . . 398 LEU N 26779 1 11 . 1 1 34 34 LYS N N 15 0.0533675 0.00071487 . . . . 399 LYS N 26779 1 12 . 1 1 35 35 TYR N N 15 0.0476849 0.0017304 . . . . 400 TYR N 26779 1 13 . 1 1 36 36 ILE N N 15 0.0556081 0.000436008 . . . . 401 ILE N 26779 1 14 . 1 1 40 40 THR N N 15 0.0441404 0.000381881 . . . . 405 THR N 26779 1 15 . 1 1 41 41 MET N N 15 0.0433614 4.5125e-05 . . . . 406 MET N 26779 1 16 . 1 1 42 42 VAL N N 15 0.0486169 0.000363994 . . . . 407 VAL N 26779 1 17 . 1 1 43 43 ALA N N 15 0.0451284 0.00237872 . . . . 408 ALA N 26779 1 18 . 1 1 47 47 GLY N N 15 0.0569282 0.00210329 . . . . 412 GLY N 26779 1 19 . 1 1 48 48 LYS N N 15 0.0362398 0.000694746 . . . . 413 LYS N 26779 1 20 . 1 1 53 53 VAL N N 15 0.0519642 0.0028677 . . . . 418 VAL N 26779 1 21 . 1 1 54 54 ASP N N 15 0.0458758 0.00891292 . . . . 419 ASP N 26779 1 22 . 1 1 57 57 VAL N N 15 0.0472679 0.00176953 . . . . 422 VAL N 26779 1 23 . 1 1 58 58 ILE N N 15 0.0533419 0.00228767 . . . . 423 ILE N 26779 1 24 . 1 1 59 59 VAL N N 15 0.0519427 0.00175373 . . . . 424 VAL N 26779 1 25 . 1 1 60 60 ASP N N 15 0.0509243 0.00193459 . . . . 425 ASP N 26779 1 26 . 1 1 61 61 CYS N N 15 0.0448974 0.00386223 . . . . 426 CYS N 26779 1 27 . 1 1 65 65 TYR N N 15 0.0488687 5.73156e-05 . . . . 430 TYR N 26779 1 28 . 1 1 66 66 GLU N N 15 0.0425532 0.00512268 . . . . 431 GLU N 26779 1 29 . 1 1 67 67 TYR N N 15 0.0424556 0.0021792 . . . . 432 TYR N 26779 1 30 . 1 1 72 72 ILE N N 15 0.0493876 0.00494656 . . . . 437 ILE N 26779 1 31 . 1 1 74 74 THR N N 15 0.0489165 0.000153141 . . . . 439 THR N 26779 1 32 . 1 1 75 75 ALA N N 15 0.0386309 0.00355627 . . . . 440 ALA N 26779 1 33 . 1 1 76 76 VAL N N 15 0.0460257 0.00147438 . . . . 441 VAL N 26779 1 34 . 1 1 81 81 GLU N N 15 0.0480469 0.00168752 . . . . 446 GLU N 26779 1 35 . 1 1 83 83 ASP N N 15 0.0458905 0.00399075 . . . . 448 ASP N 26779 1 36 . 1 1 84 84 ALA N N 15 0.0486547 0.00226549 . . . . 449 ALA N 26779 1 37 . 1 1 87 87 PHE N N 15 0.0878966 0.00066442 . . . . 452 PHE N 26779 1 38 . 1 1 88 88 LEU N N 15 0.053723 0.0026697 . . . . 453 LEU N 26779 1 39 . 1 1 90 90 LYS N N 15 0.0470301 0.000586134 . . . . 455 LYS N 26779 1 40 . 1 1 91 91 SER N N 15 0.0725953 0.000458497 . . . . 456 SER N 26779 1 41 . 1 1 104 104 LEU N N 15 0.0419006 0.00233854 . . . . 469 LEU N 26779 1 42 . 1 1 105 105 ILE N N 15 0.0494805 0.00242383 . . . . 470 ILE N 26779 1 43 . 1 1 106 106 PHE N N 15 0.047132 0.0037742 . . . . 471 PHE N 26779 1 44 . 1 1 118 118 MET N N 15 0.043367 0.00136163 . . . . 483 MET N 26779 1 45 . 1 1 119 119 CYS N N 15 0.0442909 0.00106323 . . . . 484 CYS N 26779 1 46 . 1 1 121 121 PHE N N 15 0.0552883 0.00162316 . . . . 486 PHE N 26779 1 47 . 1 1 122 122 ILE N N 15 0.0502942 0.00180354 . . . . 487 ILE N 26779 1 48 . 1 1 126 126 ASP N N 15 0.0492854 0.00138699 . . . . 491 ASP N 26779 1 49 . 1 1 127 127 ARG N N 15 0.0487472 0.0164487 . . . . 492 ARG N 26779 1 50 . 1 1 128 128 ALA N N 15 0.0442321 0.00135975 . . . . 493 ALA N 26779 1 51 . 1 1 129 129 VAL N N 15 0.0579139 0.00335067 . . . . 494 VAL N 26779 1 52 . 1 1 130 130 ASN N N 15 0.0493583 0.00081127 . . . . 495 ASN N 26779 1 53 . 1 1 131 131 ASP N N 15 0.0505996 0.00246559 . . . . 496 ASP N 26779 1 54 . 1 1 132 132 TYR N N 15 0.0530757 0.0014395 . . . . 497 TYR N 26779 1 55 . 1 1 140 140 MET N N 15 0.0536308 0.00706986 . . . . 505 MET N 26779 1 56 . 1 1 141 141 TYR N N 15 0.060042 0.0125708 . . . . 506 TYR N 26779 1 57 . 1 1 142 142 ILE N N 15 0.0477897 0.000107341 . . . . 507 ILE N 26779 1 58 . 1 1 143 143 LEU N N 15 0.0456038 7.27897e-05 . . . . 508 LEU N 26779 1 59 . 1 1 145 145 GLY N N 15 0.0471187 0.00331028 . . . . 510 GLY N 26779 1 60 . 1 1 149 149 GLU N N 15 0.0549179 0.00238865 . . . . 514 GLU N 26779 1 61 . 1 1 150 150 PHE N N 15 0.0455643 0.000525255 . . . . 515 PHE N 26779 1 62 . 1 1 153 153 GLN N N 15 0.0551268 0.00346746 . . . . 518 GLN N 26779 1 63 . 1 1 156 156 ASN N N 15 0.0566893 0.00194106 . . . . 521 ASN N 26779 1 64 . 1 1 158 158 CYS N N 15 0.0460766 0.00116768 . . . . 523 CYS N 26779 1 65 . 1 1 159 159 GLU N N 15 0.0453042 0.000974924 . . . . 524 GLU N 26779 1 66 . 1 1 162 162 ASP N N 15 0.0458968 0.00295545 . . . . 527 ASP N 26779 1 67 . 1 1 163 163 TYR N N 15 0.0498355 0.00245129 . . . . 528 TYR N 26779 1 68 . 1 1 166 166 MET N N 15 0.051311 0.00211152 . . . . 531 MET N 26779 1 69 . 1 1 168 168 HIS N N 15 0.0453309 0.00150829 . . . . 533 HIS N 26779 1 70 . 1 1 169 169 GLU N N 15 0.0272903 0.000108735 . . . . 534 GLU N 26779 1 71 . 1 1 170 170 ALA N N 15 0.0298686 0.137137 . . . . 535 ALA N 26779 1 72 . 1 1 172 172 LYS N N 15 0.0428725 0.00273869 . . . . 537 LYS N 26779 1 73 . 1 1 173 173 ASP N N 15 0.0446588 0.000793775 . . . . 538 ASP N 26779 1 74 . 1 1 178 178 PHE N N 15 0.0479524 0.00148773 . . . . 543 PHE N 26779 1 75 . 1 1 179 179 ARG N N 15 0.0449539 0.00164296 . . . . 544 ARG N 26779 1 76 . 1 1 180 180 LEU N N 15 0.0456225 0.00128007 . . . . 545 LEU N 26779 1 77 . 1 1 182 182 THR N N 15 0.0457143 0.00318694 . . . . 547 THR N 26779 1 78 . 1 1 183 183 ARG N N 15 0.0583294 0.00259938 . . . . 548 ARG N 26779 1 79 . 1 1 186 186 ALA N N 15 0.0893096 0.00370894 . . . . 551 ALA N 26779 1 80 . 1 1 188 188 GLU N N 15 0.106746 0.00597087 . . . . 553 GLU N 26779 1 81 . 1 1 189 189 ARG N N 15 0.103167 0.00634351 . . . . 554 ARG N 26779 1 82 . 1 1 193 193 GLU N N 15 0.126678 0.00224664 . . . . 558 GLU N 26779 1 83 . 1 1 194 194 LEU N N 15 0.149633 0.00443325 . . . . 559 LEU N 26779 1 84 . 1 1 198 198 LEU N N 15 0.223564 0.00874662 . . . . 563 LEU N 26779 1 85 . 1 1 199 199 GLN N N 15 0.276932 0.00337441 . . . . 564 GLN N 26779 1 86 . 1 1 200 200 ASP N N 15 0.329056 0.0107195 . . . . 565 ASP N 26779 1 stop_ save_ ###################### # Order parameters # ###################### save_order_parameter_list_1 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_1 _Order_parameter_list.Entry_ID 26779 _Order_parameter_list.ID 1 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $sample_conditions_1 _Order_parameter_list.Tau_e_val_units . _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details . _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 1 '2D 1H-15N HSQC' . . . 26779 1 stop_ loop_ _Order_parameter_software.Software_ID _Order_parameter_software.Software_label _Order_parameter_software.Method_ID _Order_parameter_software.Method_label _Order_parameter_software.Entry_ID _Order_parameter_software.Order_parameter_list_ID 3 $ModelFree . . 26779 1 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 6 6 PHE N N 15 0.224 0.012 . . . . . . . . . . . . . . . . . . . . 371 PHE N 26779 1 2 . 1 1 7 7 GLN N N 15 0.215 0.027 . . . . . . . . . . . . . . . . . . . . 372 GLN N 26779 1 3 . 1 1 10 10 HIS N N 15 0.357 0.014 . . . . . . . . . . . . . . . . . . . . 375 HIS N 26779 1 4 . 1 1 24 24 GLN N N 15 0.844 0.020 . . . . . . . . . . . . . . . . . . . . 389 GLN N 26779 1 5 . 1 1 26 26 VAL N N 15 0.958 0.012 . . . . . . . . . . . . . . . . . . . . 391 VAL N 26779 1 6 . 1 1 27 27 ASP N N 15 0.730 0.015 . . . . . . . . . . . . . . . . . . . . 392 ASP N 26779 1 7 . 1 1 28 28 GLY N N 15 0.703 0.005 . . . . . . . . . . . . . . . . . . . . 393 GLY N 26779 1 8 . 1 1 29 29 LYS N N 15 0.889 0.009 . . . . . . . . . . . . . . . . . . . . 394 LYS N 26779 1 9 . 1 1 33 33 LEU N N 15 0.963 0.009 . . . . . . . . . . . . . . . . . . . . 398 LEU N 26779 1 10 . 1 1 34 34 LYS N N 15 0.887 0.011 . . . . . . . . . . . . . . . . . . . . 399 LYS N 26779 1 11 . 1 1 35 35 TYR N N 15 0.994 0.012 . . . . . . . . . . . . . . . . . . . . 400 TYR N 26779 1 12 . 1 1 36 36 ILE N N 15 0.883 0.006 . . . . . . . . . . . . . . . . . . . . 401 ILE N 26779 1 13 . 1 1 40 40 THR N N 15 1.000 0.004 . . . . . . . . . . . . . . . . . . . . 405 THR N 26779 1 14 . 1 1 41 41 MET N N 15 1.000 0.001 . . . . . . . . . . . . . . . . . . . . 406 MET N 26779 1 15 . 1 1 42 42 VAL N N 15 0.957 0.005 . . . . . . . . . . . . . . . . . . . . 407 VAL N 26779 1 16 . 1 1 43 43 ALA N N 15 1.000 0.006 . . . . . . . . . . . . . . . . . . . . 408 ALA N 26779 1 17 . 1 1 47 47 GLY N N 15 0.834 0.031 . . . . . . . . . . . . . . . . . . . . 412 GLY N 26779 1 18 . 1 1 48 48 LYS N N 15 0.965 0.012 . . . . . . . . . . . . . . . . . . . . 413 LYS N 26779 1 19 . 1 1 53 53 VAL N N 15 0.898 0.012 . . . . . . . . . . . . . . . . . . . . 418 VAL N 26779 1 20 . 1 1 54 54 ASP N N 15 0.913 0.029 . . . . . . . . . . . . . . . . . . . . 419 ASP N 26779 1 21 . 1 1 57 57 VAL N N 15 0.978 0.021 . . . . . . . . . . . . . . . . . . . . 422 VAL N 26779 1 22 . 1 1 58 58 ILE N N 15 0.981 0.012 . . . . . . . . . . . . . . . . . . . . 423 ILE N 26779 1 23 . 1 1 59 59 VAL N N 15 0.930 0.016 . . . . . . . . . . . . . . . . . . . . 424 VAL N 26779 1 24 . 1 1 60 60 ASP N N 15 0.961 0.015 . . . . . . . . . . . . . . . . . . . . 425 ASP N 26779 1 25 . 1 1 61 61 CYS N N 15 0.931 0.019 . . . . . . . . . . . . . . . . . . . . 426 CYS N 26779 1 26 . 1 1 65 65 TYR N N 15 0.962 0.001 . . . . . . . . . . . . . . . . . . . . 430 TYR N 26779 1 27 . 1 1 66 66 GLU N N 15 1.000 0.010 . . . . . . . . . . . . . . . . . . . . 431 GLU N 26779 1 28 . 1 1 67 67 TYR N N 15 0.934 0.018 . . . . . . . . . . . . . . . . . . . . 432 TYR N 26779 1 29 . 1 1 72 72 ILE N N 15 1.000 0.022 . . . . . . . . . . . . . . . . . . . . 437 ILE N 26779 1 30 . 1 1 74 74 THR N N 15 0.810 0.032 . . . . . . . . . . . . . . . . . . . . 439 THR N 26779 1 31 . 1 1 75 75 ALA N N 15 1.000 0.015 . . . . . . . . . . . . . . . . . . . . 440 ALA N 26779 1 32 . 1 1 76 76 VAL N N 15 1.000 0.007 . . . . . . . . . . . . . . . . . . . . 441 VAL N 26779 1 33 . 1 1 81 81 GLU N N 15 0.973 0.019 . . . . . . . . . . . . . . . . . . . . 446 GLU N 26779 1 34 . 1 1 83 83 ASP N N 15 0.951 0.011 . . . . . . . . . . . . . . . . . . . . 448 ASP N 26779 1 35 . 1 1 84 84 ALA N N 15 0.946 0.010 . . . . . . . . . . . . . . . . . . . . 449 ALA N 26779 1 36 . 1 1 88 88 LEU N N 15 0.927 0.018 . . . . . . . . . . . . . . . . . . . . 453 LEU N 26779 1 37 . 1 1 90 90 LYS N N 15 0.830 0.014 . . . . . . . . . . . . . . . . . . . . 455 LYS N 26779 1 38 . 1 1 91 91 SER N N 15 0.664 0.005 . . . . . . . . . . . . . . . . . . . . 456 SER N 26779 1 39 . 1 1 104 104 LEU N N 15 1.000 0.009 . . . . . . . . . . . . . . . . . . . . 469 LEU N 26779 1 40 . 1 1 105 105 ILE N N 15 1.000 0.007 . . . . . . . . . . . . . . . . . . . . 470 ILE N 26779 1 41 . 1 1 106 106 PHE N N 15 0.935 0.022 . . . . . . . . . . . . . . . . . . . . 471 PHE N 26779 1 42 . 1 1 118 118 MET N N 15 0.947 0.017 . . . . . . . . . . . . . . . . . . . . 483 MET N 26779 1 43 . 1 1 119 119 CYS N N 15 0.932 0.016 . . . . . . . . . . . . . . . . . . . . 484 CYS N 26779 1 44 . 1 1 121 121 PHE N N 15 0.959 0.011 . . . . . . . . . . . . . . . . . . . . 486 PHE N 26779 1 45 . 1 1 122 122 ILE N N 15 0.938 0.016 . . . . . . . . . . . . . . . . . . . . 487 ILE N 26779 1 46 . 1 1 126 126 ASP N N 15 0.998 0.010 . . . . . . . . . . . . . . . . . . . . 491 ASP N 26779 1 47 . 1 1 127 127 ARG N N 15 1.000 0.030 . . . . . . . . . . . . . . . . . . . . 492 ARG N 26779 1 48 . 1 1 128 128 ALA N N 15 0.940 0.010 . . . . . . . . . . . . . . . . . . . . 493 ALA N 26779 1 49 . 1 1 129 129 VAL N N 15 0.876 0.032 . . . . . . . . . . . . . . . . . . . . 494 VAL N 26779 1 50 . 1 1 130 130 ASN N N 15 0.968 0.010 . . . . . . . . . . . . . . . . . . . . 495 ASN N 26779 1 51 . 1 1 131 131 ASP N N 15 0.953 0.015 . . . . . . . . . . . . . . . . . . . . 496 ASP N 26779 1 52 . 1 1 132 132 TYR N N 15 0.917 0.015 . . . . . . . . . . . . . . . . . . . . 497 TYR N 26779 1 53 . 1 1 140 140 MET N N 15 0.918 0.041 . . . . . . . . . . . . . . . . . . . . 505 MET N 26779 1 54 . 1 1 141 141 TYR N N 15 0.988 0.024 . . . . . . . . . . . . . . . . . . . . 506 TYR N 26779 1 55 . 1 1 142 142 ILE N N 15 0.912 0.023 . . . . . . . . . . . . . . . . . . . . 507 ILE N 26779 1 56 . 1 1 143 143 LEU N N 15 0.985 0.013 . . . . . . . . . . . . . . . . . . . . 508 LEU N 26779 1 57 . 1 1 145 145 GLY N N 15 1.000 0.015 . . . . . . . . . . . . . . . . . . . . 510 GLY N 26779 1 58 . 1 1 149 149 GLU N N 15 0.968 0.012 . . . . . . . . . . . . . . . . . . . . 514 GLU N 26779 1 59 . 1 1 150 150 PHE N N 15 0.970 0.011 . . . . . . . . . . . . . . . . . . . . 515 PHE N 26779 1 60 . 1 1 153 153 GLN N N 15 0.897 0.013 . . . . . . . . . . . . . . . . . . . . 518 GLN N 26779 1 61 . 1 1 156 156 ASN N N 15 1.000 0.006 . . . . . . . . . . . . . . . . . . . . 521 ASN N 26779 1 62 . 1 1 158 158 CYS N N 15 0.895 0.010 . . . . . . . . . . . . . . . . . . . . 523 CYS N 26779 1 63 . 1 1 159 159 GLU N N 15 1.000 0.006 . . . . . . . . . . . . . . . . . . . . 524 GLU N 26779 1 64 . 1 1 162 162 ASP N N 15 0.887 0.011 . . . . . . . . . . . . . . . . . . . . 527 ASP N 26779 1 65 . 1 1 163 163 TYR N N 15 0.804 0.009 . . . . . . . . . . . . . . . . . . . . 528 TYR N 26779 1 66 . 1 1 166 166 MET N N 15 0.902 0.021 . . . . . . . . . . . . . . . . . . . . 531 MET N 26779 1 67 . 1 1 168 168 HIS N N 15 0.886 0.018 . . . . . . . . . . . . . . . . . . . . 533 HIS N 26779 1 68 . 1 1 169 169 GLU N N 15 0.955 0.017 . . . . . . . . . . . . . . . . . . . . 534 GLU N 26779 1 69 . 1 1 172 172 LYS N N 15 0.993 0.008 . . . . . . . . . . . . . . . . . . . . 537 LYS N 26779 1 70 . 1 1 173 173 ASP N N 15 0.958 0.008 . . . . . . . . . . . . . . . . . . . . 538 ASP N 26779 1 71 . 1 1 178 178 PHE N N 15 1.000 0.008 . . . . . . . . . . . . . . . . . . . . 543 PHE N 26779 1 72 . 1 1 179 179 ARG N N 15 1.000 0.008 . . . . . . . . . . . . . . . . . . . . 544 ARG N 26779 1 73 . 1 1 180 180 LEU N N 15 0.919 0.007 . . . . . . . . . . . . . . . . . . . . 545 LEU N 26779 1 74 . 1 1 182 182 THR N N 15 0.906 0.015 . . . . . . . . . . . . . . . . . . . . 547 THR N 26779 1 75 . 1 1 183 183 ARG N N 15 0.856 0.015 . . . . . . . . . . . . . . . . . . . . 548 ARG N 26779 1 76 . 1 1 186 186 ALA N N 15 0.466 0.022 . . . . . . . . . . . . . . . . . . . . 551 ALA N 26779 1 77 . 1 1 188 188 GLU N N 15 0.382 0.026 . . . . . . . . . . . . . . . . . . . . 553 GLU N 26779 1 78 . 1 1 189 189 ARG N N 15 0.401 0.030 . . . . . . . . . . . . . . . . . . . . 554 ARG N 26779 1 79 . 1 1 193 193 GLU N N 15 0.336 0.007 . . . . . . . . . . . . . . . . . . . . 558 GLU N 26779 1 80 . 1 1 198 198 LEU N N 15 0.151 0.009 . . . . . . . . . . . . . . . . . . . . 563 LEU N 26779 1 stop_ save_