data_52233 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52233 _Entry.Title ; R15B I415-G613 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-12-06 _Entry.Accession_date 2023-12-06 _Entry.Last_release_date 2023-12-11 _Entry.Original_release_date 2023-12-11 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'resonance assignment for the R15B 415-613 fragment' _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 Agnieszka Fatalska . . . . 52233 2 Stefan Freund . M.V. . . 52233 3 Anne Bertolotti . . . . 52233 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'MRC Laboratory for Molecular Biology, Cambridge, UK' . 52233 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52233 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 454 52233 '15N chemical shifts' 174 52233 '1H chemical shifts' 174 52233 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 1 . . 2024-06-25 . original BMRB . 52233 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52233 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38159565 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Recruitment of trimeric eIF2 by phosphatase non-catalytic subunit PPP1R15B ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell' _Citation.Journal_name_full 'Molecular cell' _Citation.Journal_volume 84 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1097-4164 _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 506 _Citation.Page_last 521 _Citation.Year 2024 _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 Agnieszka Fatalska A. . . . 52233 1 2 George Hodgson G. . . . 52233 1 3 Stefan Freund . . . . 52233 1 4 Sarah Maslen S. L. . . 52233 1 5 Tomos Morgan T. . . . 52233 1 6 Sigurdur Thorkelsson S. R. . . 52233 1 7 Marjon 'van Slegtenhorst' M. . . . 52233 1 8 Sonja Lorenz S. . . . 52233 1 9 Antonina Andreeva A. . . . 52233 1 10 'Laura Donker' Kaat L. D. . . 52233 1 11 Anne Bertolotti A. . . . 52233 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Growth disorder' 52233 1 'Intrinsically disordered proteins' 52233 1 'Mass spectrometry' 52233 1 Microcephaly 52233 1 'Missense mutation' 52233 1 'Nuclear magnetic resonance spectroscopy' 52233 1 PP1 52233 1 PPP1R15B 52233 1 Phosphatase 52233 1 'Structural biology' 52233 1 'Structural proteomics' 52233 1 Syndrome 52233 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52233 _Assembly.ID 1 _Assembly.Name PPP1R15B _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 21720 _Assembly.Enzyme_commission_number . _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 PPP1R15B 1 $entity_1 . . yes native no no . . . 52233 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52233 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; ISARPACSNKLIDYILGGAS SDLETSSDPEGEDWDEEAED DGFDSDSSLSDSDLEQDPEG LHLWNSFCSVDPYNPQNFTA TIQTAARIVPEEPSDSEKDL SGKSDLENSSQSGSLPETPE HSSGEEDDWESSADEAESLK LWNSFCNSDDPYNPLNFKAP FQTSGENEKGCRDSKTPSES IVAISECHTLLSCKVQLLG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _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 199 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'PP1 non-catalytic subunit' 52233 1 stop_ 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 1 415 ILE . 52233 1 2 416 SER . 52233 1 3 417 ALA . 52233 1 4 418 ARG . 52233 1 5 419 PRO . 52233 1 6 420 ALA . 52233 1 7 421 CYS . 52233 1 8 422 SER . 52233 1 9 423 ASN . 52233 1 10 424 LYS . 52233 1 11 425 LEU . 52233 1 12 426 ILE . 52233 1 13 427 ASP . 52233 1 14 428 TYR . 52233 1 15 429 ILE . 52233 1 16 430 LEU . 52233 1 17 431 GLY . 52233 1 18 432 GLY . 52233 1 19 433 ALA . 52233 1 20 434 SER . 52233 1 21 435 SER . 52233 1 22 436 ASP . 52233 1 23 437 LEU . 52233 1 24 438 GLU . 52233 1 25 439 THR . 52233 1 26 440 SER . 52233 1 27 441 SER . 52233 1 28 442 ASP . 52233 1 29 443 PRO . 52233 1 30 444 GLU . 52233 1 31 445 GLY . 52233 1 32 446 GLU . 52233 1 33 447 ASP . 52233 1 34 448 TRP . 52233 1 35 449 ASP . 52233 1 36 450 GLU . 52233 1 37 451 GLU . 52233 1 38 452 ALA . 52233 1 39 453 GLU . 52233 1 40 454 ASP . 52233 1 41 455 ASP . 52233 1 42 456 GLY . 52233 1 43 457 PHE . 52233 1 44 458 ASP . 52233 1 45 459 SER . 52233 1 46 460 ASP . 52233 1 47 461 SER . 52233 1 48 462 SER . 52233 1 49 463 LEU . 52233 1 50 464 SER . 52233 1 51 465 ASP . 52233 1 52 466 SER . 52233 1 53 467 ASP . 52233 1 54 468 LEU . 52233 1 55 469 GLU . 52233 1 56 470 GLN . 52233 1 57 471 ASP . 52233 1 58 472 PRO . 52233 1 59 473 GLU . 52233 1 60 474 GLY . 52233 1 61 475 LEU . 52233 1 62 476 HIS . 52233 1 63 477 LEU . 52233 1 64 478 TRP . 52233 1 65 479 ASN . 52233 1 66 480 SER . 52233 1 67 481 PHE . 52233 1 68 482 CYS . 52233 1 69 483 SER . 52233 1 70 484 VAL . 52233 1 71 485 ASP . 52233 1 72 486 PRO . 52233 1 73 487 TYR . 52233 1 74 488 ASN . 52233 1 75 489 PRO . 52233 1 76 490 GLN . 52233 1 77 491 ASN . 52233 1 78 492 PHE . 52233 1 79 493 THR . 52233 1 80 494 ALA . 52233 1 81 495 THR . 52233 1 82 496 ILE . 52233 1 83 497 GLN . 52233 1 84 498 THR . 52233 1 85 499 ALA . 52233 1 86 500 ALA . 52233 1 87 501 ARG . 52233 1 88 502 ILE . 52233 1 89 503 VAL . 52233 1 90 504 PRO . 52233 1 91 505 GLU . 52233 1 92 506 GLU . 52233 1 93 507 PRO . 52233 1 94 508 SER . 52233 1 95 509 ASP . 52233 1 96 510 SER . 52233 1 97 511 GLU . 52233 1 98 512 LYS . 52233 1 99 513 ASP . 52233 1 100 514 LEU . 52233 1 101 515 SER . 52233 1 102 516 GLY . 52233 1 103 517 LYS . 52233 1 104 518 SER . 52233 1 105 519 ASP . 52233 1 106 520 LEU . 52233 1 107 521 GLU . 52233 1 108 522 ASN . 52233 1 109 523 SER . 52233 1 110 524 SER . 52233 1 111 525 GLN . 52233 1 112 526 SER . 52233 1 113 527 GLY . 52233 1 114 528 SER . 52233 1 115 529 LEU . 52233 1 116 530 PRO . 52233 1 117 531 GLU . 52233 1 118 532 THR . 52233 1 119 533 PRO . 52233 1 120 534 GLU . 52233 1 121 535 HIS . 52233 1 122 536 SER . 52233 1 123 537 SER . 52233 1 124 538 GLY . 52233 1 125 539 GLU . 52233 1 126 540 GLU . 52233 1 127 541 ASP . 52233 1 128 542 ASP . 52233 1 129 543 TRP . 52233 1 130 544 GLU . 52233 1 131 545 SER . 52233 1 132 546 SER . 52233 1 133 547 ALA . 52233 1 134 548 ASP . 52233 1 135 549 GLU . 52233 1 136 550 ALA . 52233 1 137 551 GLU . 52233 1 138 552 SER . 52233 1 139 553 LEU . 52233 1 140 554 LYS . 52233 1 141 555 LEU . 52233 1 142 556 TRP . 52233 1 143 557 ASN . 52233 1 144 558 SER . 52233 1 145 559 PHE . 52233 1 146 560 CYS . 52233 1 147 561 ASN . 52233 1 148 562 SER . 52233 1 149 563 ASP . 52233 1 150 564 ASP . 52233 1 151 565 PRO . 52233 1 152 566 TYR . 52233 1 153 567 ASN . 52233 1 154 568 PRO . 52233 1 155 569 LEU . 52233 1 156 570 ASN . 52233 1 157 571 PHE . 52233 1 158 572 LYS . 52233 1 159 573 ALA . 52233 1 160 574 PRO . 52233 1 161 575 PHE . 52233 1 162 576 GLN . 52233 1 163 577 THR . 52233 1 164 578 SER . 52233 1 165 579 GLY . 52233 1 166 580 GLU . 52233 1 167 581 ASN . 52233 1 168 582 GLU . 52233 1 169 583 LYS . 52233 1 170 584 GLY . 52233 1 171 585 CYS . 52233 1 172 586 ARG . 52233 1 173 587 ASP . 52233 1 174 588 SER . 52233 1 175 589 LYS . 52233 1 176 590 THR . 52233 1 177 591 PRO . 52233 1 178 592 SER . 52233 1 179 593 GLU . 52233 1 180 594 SER . 52233 1 181 595 ILE . 52233 1 182 596 VAL . 52233 1 183 597 ALA . 52233 1 184 598 ILE . 52233 1 185 599 SER . 52233 1 186 600 GLU . 52233 1 187 601 CYS . 52233 1 188 602 HIS . 52233 1 189 603 THR . 52233 1 190 604 LEU . 52233 1 191 605 LEU . 52233 1 192 606 SER . 52233 1 193 607 CYS . 52233 1 194 608 LYS . 52233 1 195 609 VAL . 52233 1 196 610 GLN . 52233 1 197 611 LEU . 52233 1 198 612 LEU . 52233 1 199 613 GLY . 52233 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 . ILE 1 1 52233 1 . SER 2 2 52233 1 . ALA 3 3 52233 1 . ARG 4 4 52233 1 . PRO 5 5 52233 1 . ALA 6 6 52233 1 . CYS 7 7 52233 1 . SER 8 8 52233 1 . ASN 9 9 52233 1 . LYS 10 10 52233 1 . LEU 11 11 52233 1 . ILE 12 12 52233 1 . ASP 13 13 52233 1 . TYR 14 14 52233 1 . ILE 15 15 52233 1 . LEU 16 16 52233 1 . GLY 17 17 52233 1 . GLY 18 18 52233 1 . ALA 19 19 52233 1 . SER 20 20 52233 1 . SER 21 21 52233 1 . ASP 22 22 52233 1 . LEU 23 23 52233 1 . GLU 24 24 52233 1 . THR 25 25 52233 1 . SER 26 26 52233 1 . SER 27 27 52233 1 . ASP 28 28 52233 1 . PRO 29 29 52233 1 . GLU 30 30 52233 1 . GLY 31 31 52233 1 . GLU 32 32 52233 1 . ASP 33 33 52233 1 . TRP 34 34 52233 1 . ASP 35 35 52233 1 . GLU 36 36 52233 1 . GLU 37 37 52233 1 . ALA 38 38 52233 1 . GLU 39 39 52233 1 . ASP 40 40 52233 1 . ASP 41 41 52233 1 . GLY 42 42 52233 1 . PHE 43 43 52233 1 . ASP 44 44 52233 1 . SER 45 45 52233 1 . ASP 46 46 52233 1 . SER 47 47 52233 1 . SER 48 48 52233 1 . LEU 49 49 52233 1 . SER 50 50 52233 1 . ASP 51 51 52233 1 . SER 52 52 52233 1 . ASP 53 53 52233 1 . LEU 54 54 52233 1 . GLU 55 55 52233 1 . GLN 56 56 52233 1 . ASP 57 57 52233 1 . PRO 58 58 52233 1 . GLU 59 59 52233 1 . GLY 60 60 52233 1 . LEU 61 61 52233 1 . HIS 62 62 52233 1 . LEU 63 63 52233 1 . TRP 64 64 52233 1 . ASN 65 65 52233 1 . SER 66 66 52233 1 . PHE 67 67 52233 1 . CYS 68 68 52233 1 . SER 69 69 52233 1 . VAL 70 70 52233 1 . ASP 71 71 52233 1 . PRO 72 72 52233 1 . TYR 73 73 52233 1 . ASN 74 74 52233 1 . PRO 75 75 52233 1 . GLN 76 76 52233 1 . ASN 77 77 52233 1 . PHE 78 78 52233 1 . THR 79 79 52233 1 . ALA 80 80 52233 1 . THR 81 81 52233 1 . ILE 82 82 52233 1 . GLN 83 83 52233 1 . THR 84 84 52233 1 . ALA 85 85 52233 1 . ALA 86 86 52233 1 . ARG 87 87 52233 1 . ILE 88 88 52233 1 . VAL 89 89 52233 1 . PRO 90 90 52233 1 . GLU 91 91 52233 1 . GLU 92 92 52233 1 . PRO 93 93 52233 1 . SER 94 94 52233 1 . ASP 95 95 52233 1 . SER 96 96 52233 1 . GLU 97 97 52233 1 . LYS 98 98 52233 1 . ASP 99 99 52233 1 . LEU 100 100 52233 1 . SER 101 101 52233 1 . GLY 102 102 52233 1 . LYS 103 103 52233 1 . SER 104 104 52233 1 . ASP 105 105 52233 1 . LEU 106 106 52233 1 . GLU 107 107 52233 1 . ASN 108 108 52233 1 . SER 109 109 52233 1 . SER 110 110 52233 1 . GLN 111 111 52233 1 . SER 112 112 52233 1 . GLY 113 113 52233 1 . SER 114 114 52233 1 . LEU 115 115 52233 1 . PRO 116 116 52233 1 . GLU 117 117 52233 1 . THR 118 118 52233 1 . PRO 119 119 52233 1 . GLU 120 120 52233 1 . HIS 121 121 52233 1 . SER 122 122 52233 1 . SER 123 123 52233 1 . GLY 124 124 52233 1 . GLU 125 125 52233 1 . GLU 126 126 52233 1 . ASP 127 127 52233 1 . ASP 128 128 52233 1 . TRP 129 129 52233 1 . GLU 130 130 52233 1 . SER 131 131 52233 1 . SER 132 132 52233 1 . ALA 133 133 52233 1 . ASP 134 134 52233 1 . GLU 135 135 52233 1 . ALA 136 136 52233 1 . GLU 137 137 52233 1 . SER 138 138 52233 1 . LEU 139 139 52233 1 . LYS 140 140 52233 1 . LEU 141 141 52233 1 . TRP 142 142 52233 1 . ASN 143 143 52233 1 . SER 144 144 52233 1 . PHE 145 145 52233 1 . CYS 146 146 52233 1 . ASN 147 147 52233 1 . SER 148 148 52233 1 . ASP 149 149 52233 1 . ASP 150 150 52233 1 . PRO 151 151 52233 1 . TYR 152 152 52233 1 . ASN 153 153 52233 1 . PRO 154 154 52233 1 . LEU 155 155 52233 1 . ASN 156 156 52233 1 . PHE 157 157 52233 1 . LYS 158 158 52233 1 . ALA 159 159 52233 1 . PRO 160 160 52233 1 . PHE 161 161 52233 1 . GLN 162 162 52233 1 . THR 163 163 52233 1 . SER 164 164 52233 1 . GLY 165 165 52233 1 . GLU 166 166 52233 1 . ASN 167 167 52233 1 . GLU 168 168 52233 1 . LYS 169 169 52233 1 . GLY 170 170 52233 1 . CYS 171 171 52233 1 . ARG 172 172 52233 1 . ASP 173 173 52233 1 . SER 174 174 52233 1 . LYS 175 175 52233 1 . THR 176 176 52233 1 . PRO 177 177 52233 1 . SER 178 178 52233 1 . GLU 179 179 52233 1 . SER 180 180 52233 1 . ILE 181 181 52233 1 . VAL 182 182 52233 1 . ALA 183 183 52233 1 . ILE 184 184 52233 1 . SER 185 185 52233 1 . GLU 186 186 52233 1 . CYS 187 187 52233 1 . HIS 188 188 52233 1 . THR 189 189 52233 1 . LEU 190 190 52233 1 . LEU 191 191 52233 1 . SER 192 192 52233 1 . CYS 193 193 52233 1 . LYS 194 194 52233 1 . VAL 195 195 52233 1 . GLN 196 196 52233 1 . LEU 197 197 52233 1 . LEU 198 198 52233 1 . GLY 199 199 52233 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52233 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52233 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52233 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-47b . . . 52233 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52233 _Sample.ID 1 _Sample.Name '13C,15N R15B 414-613' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'double labelled sample for triple resonance experiments' _Sample.Aggregate_sample_number 1 _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 PPP1R15B '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 150 . . uM . . . . 52233 1 2 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 52233 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 52233 1 4 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 52233 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 52233 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 52233 _Sample.ID 2 _Sample.Name '15N R15B 414-613' _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N labelled sample for HSQC experiments' _Sample.Aggregate_sample_number 1 _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 PPP1R15B '[U-100% 15N]' . . 1 $entity_1 . . 150 . . uM . . . . 52233 2 2 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 52233 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 52233 2 4 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 52233 2 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 52233 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 52233 _Sample_condition_list.ID 1 _Sample_condition_list.Name '50mM HEPES 150mM NaCl pH7.5' _Sample_condition_list.Details '50mM HEPES 150mM NaCl pH7.5, T=281.5K, conc=150uM' 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' 150 . mM 52233 1 pH 7.5 . pH 52233 1 pressure 1 . atm 52233 1 temperature 281.5K . K 52233 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52233 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.6.0 _Software.DOI . _Software.Details 'Bruker nmr software for data acquisition and processing' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52233 1 processing . 52233 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52233 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 1.3 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52233 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52233 _Software.ID 3 _Software.Type . _Software.Name qMDD _Software.Version 2.7 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52233 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 52233 _Software.ID 4 _Software.Type . _Software.Name MARS _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52233 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52233 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance HD3 800MHz spectrometer' _NMR_spectrometer.Details 'TCI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 52233 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker Avance HD2+ 700MHz spectrometer' _NMR_spectrometer.Details 'TCI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II+' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52233 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52233 1 2 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52233 1 3 '3D HNCACO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52233 1 4 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52233 1 5 '3D HN(CO)CA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52233 1 6 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52233 1 7 '2D 1H-15N HSQC' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52233 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52233 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'R15B 414-613 backbone assignment' _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 water protons . . . . ppm 4.925 internal indirect 0.251449530 . . . . . 52233 1 H 1 water protons . . . . ppm 4.925 internal direct 1 . . . . . 52233 1 N 15 water protons . . . . ppm 4.925 internal indirect 0.101329118 . . . . . 52233 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52233 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'R15B 414-613 backbone assignment' _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 $chem_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 . _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 '3D HNCA' . . . 52233 1 2 '3D HNCO' . . . 52233 1 3 '3D HNCACO' . . . 52233 1 4 '3D HNCACB' . . . 52233 1 5 '3D HN(CO)CA' . . . 52233 1 6 '3D CBCA(CO)NH' . . . 52233 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 52233 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 1 1 ILE H H 1 8.214 . . 1 . . . . . 415 I HN . 52233 1 2 . 1 . 1 1 1 ILE N N 15 121.478 . . 1 . . . . . 415 I N . 52233 1 3 . 1 . 1 2 2 SER H H 1 8.191 . . 1 . . . . . 416 S HN . 52233 1 4 . 1 . 1 2 2 SER C C 13 174.133 0.2 . 1 . . . . . 416 S CO . 52233 1 5 . 1 . 1 2 2 SER CA C 13 58.382 0.2 . 1 . . . . . 416 S CA . 52233 1 6 . 1 . 1 2 2 SER CB C 13 63.977 0.3 . 1 . . . . . 416 S CB . 52233 1 7 . 1 . 1 2 2 SER N N 15 119.834 . . 1 . . . . . 416 S N . 52233 1 8 . 1 . 1 3 3 ALA H H 1 8.148 . . 1 . . . . . 417 A HN . 52233 1 9 . 1 . 1 3 3 ALA C C 13 177.446 0.2 . 1 . . . . . 417 A CO . 52233 1 10 . 1 . 1 3 3 ALA CA C 13 52.938 0.2 . 1 . . . . . 417 A CA . 52233 1 11 . 1 . 1 3 3 ALA CB C 13 19.364 0.3 . 1 . . . . . 417 A CB . 52233 1 12 . 1 . 1 3 3 ALA N N 15 126.178 . . 1 . . . . . 417 A N . 52233 1 13 . 1 . 1 4 4 ARG H H 1 8.104 . . 1 . . . . . 418 R HN . 52233 1 14 . 1 . 1 4 4 ARG C C 13 174.339 0.2 . 1 . . . . . 418 R CO . 52233 1 15 . 1 . 1 4 4 ARG CA C 13 53.955 0.2 . 1 . . . . . 418 R CA . 52233 1 16 . 1 . 1 4 4 ARG CB C 13 30.223 0.3 . 1 . . . . . 418 R CB . 52233 1 17 . 1 . 1 4 4 ARG N N 15 121.643 . . 1 . . . . . 418 R N . 52233 1 18 . 1 . 1 6 6 ALA H H 1 8.356 . . 1 . . . . . 420 A HN . 52233 1 19 . 1 . 1 6 6 ALA C C 13 177.943 0.2 . 1 . . . . . 420 A CO . 52233 1 20 . 1 . 1 6 6 ALA N N 15 124.640 . . 1 . . . . . 420 A N . 52233 1 21 . 1 . 1 7 7 CYS H H 1 8.192 . . 1 . . . . . 421 C HN . 52233 1 22 . 1 . 1 7 7 CYS C C 13 174.940 0.2 . 1 . . . . . 421 C CO . 52233 1 23 . 1 . 1 7 7 CYS N N 15 118.507 . . 1 . . . . . 421 C N . 52233 1 24 . 1 . 1 8 8 SER H H 1 8.138 . . 1 . . . . . 422 S HN . 52233 1 25 . 1 . 1 8 8 SER C C 13 174.401 0.2 . 1 . . . . . 422 S CO . 52233 1 26 . 1 . 1 8 8 SER N N 15 118.515 . . 1 . . . . . 422 S N . 52233 1 27 . 1 . 1 10 10 LYS H H 1 8.099 . . 1 . . . . . 424 K HN . 52233 1 28 . 1 . 1 10 10 LYS C C 13 176.630 0.2 . 1 . . . . . 424 K CO . 52233 1 29 . 1 . 1 10 10 LYS CA C 13 56.669 0.2 . 1 . . . . . 424 K CA . 52233 1 30 . 1 . 1 10 10 LYS CB C 13 33.159 0.3 . 1 . . . . . 424 K CB . 52233 1 31 . 1 . 1 10 10 LYS N N 15 121.503 . . 1 . . . . . 424 K N . 52233 1 32 . 1 . 1 11 11 LEU H H 1 8.039 . . 1 . . . . . 425 L HN . 52233 1 33 . 1 . 1 11 11 LEU C C 13 177.536 0.2 . 1 . . . . . 425 L CO . 52233 1 34 . 1 . 1 11 11 LEU CA C 13 55.683 0.2 . 1 . . . . . 425 L CA . 52233 1 35 . 1 . 1 11 11 LEU CB C 13 41.979 0.3 . 1 . . . . . 425 L CB . 52233 1 36 . 1 . 1 11 11 LEU N N 15 122.915 . . 1 . . . . . 425 L N . 52233 1 37 . 1 . 1 12 12 ILE H H 1 7.795 . . 1 . . . . . 426 I HN . 52233 1 38 . 1 . 1 12 12 ILE C C 13 175.749 0.2 . 1 . . . . . 426 I CO . 52233 1 39 . 1 . 1 12 12 ILE CA C 13 61.293 0.2 . 1 . . . . . 426 I CA . 52233 1 40 . 1 . 1 12 12 ILE CB C 13 38.917 0.3 . 1 . . . . . 426 I CB . 52233 1 41 . 1 . 1 12 12 ILE N N 15 121.048 . . 1 . . . . . 426 I N . 52233 1 42 . 1 . 1 13 13 ASP H H 1 8.014 . . 1 . . . . . 427 D HN . 52233 1 43 . 1 . 1 13 13 ASP C C 13 176.077 0.2 . 1 . . . . . 427 D CO . 52233 1 44 . 1 . 1 13 13 ASP CA C 13 54.482 0.2 . 1 . . . . . 427 D CA . 52233 1 45 . 1 . 1 13 13 ASP CB C 13 41.270 0.3 . 1 . . . . . 427 D CB . 52233 1 46 . 1 . 1 13 13 ASP N N 15 123.493 . . 1 . . . . . 427 D N . 52233 1 47 . 1 . 1 14 14 TYR H H 1 7.827 . . 1 . . . . . 428 Y HN . 52233 1 48 . 1 . 1 14 14 TYR C C 13 175.942 0.2 . 1 . . . . . 428 Y CO . 52233 1 49 . 1 . 1 14 14 TYR CA C 13 58.489 0.2 . 1 . . . . . 428 Y CA . 52233 1 50 . 1 . 1 14 14 TYR CB C 13 38.837 0.3 . 1 . . . . . 428 Y CB . 52233 1 51 . 1 . 1 14 14 TYR N N 15 120.787 . . 1 . . . . . 428 Y N . 52233 1 52 . 1 . 1 15 15 ILE H H 1 7.851 . . 1 . . . . . 429 I HN . 52233 1 53 . 1 . 1 15 15 ILE C C 13 176.515 0.2 . 1 . . . . . 429 I CO . 52233 1 54 . 1 . 1 15 15 ILE CA C 13 61.517 0.2 . 1 . . . . . 429 I CA . 52233 1 55 . 1 . 1 15 15 ILE CB C 13 38.605 0.3 . 1 . . . . . 429 I CB . 52233 1 56 . 1 . 1 15 15 ILE N N 15 122.870 . . 1 . . . . . 429 I N . 52233 1 57 . 1 . 1 16 16 LEU H H 1 8.071 . . 1 . . . . . 430 L HN . 52233 1 58 . 1 . 1 16 16 LEU C C 13 178.165 0.2 . 1 . . . . . 430 L CO . 52233 1 59 . 1 . 1 16 16 LEU CA C 13 55.912 0.2 . 1 . . . . . 430 L CA . 52233 1 60 . 1 . 1 16 16 LEU CB C 13 42.185 0.3 . 1 . . . . . 430 L CB . 52233 1 61 . 1 . 1 16 16 LEU N N 15 125.556 . . 1 . . . . . 430 L N . 52233 1 62 . 1 . 1 17 17 GLY H H 1 8.185 . . 1 . . . . . 431 G HN . 52233 1 63 . 1 . 1 17 17 GLY C C 13 174.837 0.2 . 1 . . . . . 431 G CO . 52233 1 64 . 1 . 1 17 17 GLY CA C 13 45.472 0.2 . 1 . . . . . 431 G CA . 52233 1 65 . 1 . 1 17 17 GLY N N 15 110.066 . . 1 . . . . . 431 G N . 52233 1 66 . 1 . 1 18 18 GLY H H 1 8.027 . . 1 . . . . . 432 G HN . 52233 1 67 . 1 . 1 18 18 GLY C C 13 174.852 0.2 . 1 . . . . . 432 G CO . 52233 1 68 . 1 . 1 18 18 GLY CA C 13 45.241 0.2 . 1 . . . . . 432 G CA . 52233 1 69 . 1 . 1 18 18 GLY N N 15 108.602 . . 1 . . . . . 432 G N . 52233 1 70 . 1 . 1 19 19 ALA H H 1 8.099 . . 1 . . . . . 433 A HN . 52233 1 71 . 1 . 1 19 19 ALA C C 13 178.106 0.2 . 1 . . . . . 433 A CO . 52233 1 72 . 1 . 1 19 19 ALA CA C 13 52.595 0.2 . 1 . . . . . 433 A CA . 52233 1 73 . 1 . 1 19 19 ALA CB C 13 19.479 0.3 . 1 . . . . . 433 A CB . 52233 1 74 . 1 . 1 19 19 ALA N N 15 123.617 . . 1 . . . . . 433 A N . 52233 1 75 . 1 . 1 20 20 SER H H 1 8.226 . . 1 . . . . . 434 S HN . 52233 1 76 . 1 . 1 20 20 SER C C 13 174.962 0.2 . 1 . . . . . 434 S CO . 52233 1 77 . 1 . 1 20 20 SER CA C 13 58.591 0.2 . 1 . . . . . 434 S CA . 52233 1 78 . 1 . 1 20 20 SER CB C 13 63.912 0.3 . 1 . . . . . 434 S CB . 52233 1 79 . 1 . 1 20 20 SER N N 15 115.320 . . 1 . . . . . 434 S N . 52233 1 80 . 1 . 1 21 21 SER H H 1 8.188 . . 1 . . . . . 435 S HN . 52233 1 81 . 1 . 1 21 21 SER C C 13 174.476 0.2 . 1 . . . . . 435 S CO . 52233 1 82 . 1 . 1 21 21 SER CA C 13 58.767 0.2 . 1 . . . . . 435 S CA . 52233 1 83 . 1 . 1 21 21 SER CB C 13 63.977 0.3 . 1 . . . . . 435 S CB . 52233 1 84 . 1 . 1 21 21 SER N N 15 117.685 . . 1 . . . . . 435 S N . 52233 1 85 . 1 . 1 22 22 ASP H H 1 8.155 . . 1 . . . . . 436 D HN . 52233 1 86 . 1 . 1 22 22 ASP C C 13 176.528 0.2 . 1 . . . . . 436 D CO . 52233 1 87 . 1 . 1 22 22 ASP CA C 13 54.711 0.2 . 1 . . . . . 436 D CA . 52233 1 88 . 1 . 1 22 22 ASP N N 15 122.317 . . 1 . . . . . 436 D N . 52233 1 89 . 1 . 1 23 23 LEU H H 1 7.907 . . 1 . . . . . 437 L HN . 52233 1 90 . 1 . 1 23 23 LEU C C 13 177.747 0.2 . 1 . . . . . 437 L CO . 52233 1 91 . 1 . 1 23 23 LEU CA C 13 55.622 0.2 . 1 . . . . . 437 L CA . 52233 1 92 . 1 . 1 23 23 LEU CB C 13 42.537 0.3 . 1 . . . . . 437 L CB . 52233 1 93 . 1 . 1 23 23 LEU N N 15 121.599 . . 1 . . . . . 437 L N . 52233 1 94 . 1 . 1 24 24 GLU H H 1 8.189 . . 1 . . . . . 438 E HN . 52233 1 95 . 1 . 1 24 24 GLU C C 13 176.703 0.2 . 1 . . . . . 438 E CO . 52233 1 96 . 1 . 1 24 24 GLU CA C 13 58.457 0.2 . 1 . . . . . 438 E CA . 52233 1 97 . 1 . 1 24 24 GLU CB C 13 29.408 0.3 . 1 . . . . . 438 E CB . 52233 1 98 . 1 . 1 24 24 GLU N N 15 121.452 . . 1 . . . . . 438 E N . 52233 1 99 . 1 . 1 25 25 THR H H 1 8.006 . . 1 . . . . . 439 T HN . 52233 1 100 . 1 . 1 25 25 THR C C 13 174.680 0.2 . 1 . . . . . 439 T CO . 52233 1 101 . 1 . 1 25 25 THR N N 15 115.212 . . 1 . . . . . 439 T N . 52233 1 102 . 1 . 1 26 26 SER H H 1 8.231 . . 1 . . . . . 440 S HN . 52233 1 103 . 1 . 1 26 26 SER C C 13 174.616 0.2 . 1 . . . . . 440 S CO . 52233 1 104 . 1 . 1 26 26 SER CA C 13 58.312 0.2 . 1 . . . . . 440 S CA . 52233 1 105 . 1 . 1 26 26 SER CB C 13 64.082 0.3 . 1 . . . . . 440 S CB . 52233 1 106 . 1 . 1 26 26 SER N N 15 118.442 . . 1 . . . . . 440 S N . 52233 1 107 . 1 . 1 27 27 SER H H 1 8.255 . . 1 . . . . . 441 S HN . 52233 1 108 . 1 . 1 27 27 SER C C 13 179.904 0.2 . 1 . . . . . 441 S CO . 52233 1 109 . 1 . 1 27 27 SER CA C 13 58.347 0.2 . 1 . . . . . 441 S CA . 52233 1 110 . 1 . 1 27 27 SER CB C 13 64.117 0.3 . 1 . . . . . 441 S CB . 52233 1 111 . 1 . 1 27 27 SER N N 15 118.228 . . 1 . . . . . 441 S N . 52233 1 112 . 1 . 1 28 28 ASP H H 1 8.241 . . 1 . . . . . 442 D HN . 52233 1 113 . 1 . 1 28 28 ASP C C 13 174.621 0.2 . 1 . . . . . 442 D CO . 52233 1 114 . 1 . 1 28 28 ASP CA C 13 52.881 0.2 . 1 . . . . . 442 D CA . 52233 1 115 . 1 . 1 28 28 ASP CB C 13 40.755 0.3 . 1 . . . . . 442 D CB . 52233 1 116 . 1 . 1 28 28 ASP N N 15 123.591 . . 1 . . . . . 442 D N . 52233 1 117 . 1 . 1 30 30 GLU H H 1 8.318 . . 1 . . . . . 444 E HN . 52233 1 118 . 1 . 1 30 30 GLU C C 13 177.175 0.2 . 1 . . . . . 444 E CO . 52233 1 119 . 1 . 1 30 30 GLU CA C 13 56.704 0.2 . 1 . . . . . 444 E CA . 52233 1 120 . 1 . 1 30 30 GLU CB C 13 30.271 0.3 . 1 . . . . . 444 E CB . 52233 1 121 . 1 . 1 30 30 GLU N N 15 120.361 . . 1 . . . . . 444 E N . 52233 1 122 . 1 . 1 31 31 GLY H H 1 8.067 . . 1 . . . . . 445 G HN . 52233 1 123 . 1 . 1 31 31 GLY C C 13 174.131 0.2 . 1 . . . . . 445 G CO . 52233 1 124 . 1 . 1 31 31 GLY CA C 13 45.273 0.2 . 1 . . . . . 445 G CA . 52233 1 125 . 1 . 1 31 31 GLY N N 15 109.451 . . 1 . . . . . 445 G N . 52233 1 126 . 1 . 1 32 32 GLU H H 1 8.080 . . 1 . . . . . 446 E HN . 52233 1 127 . 1 . 1 32 32 GLU C C 13 176.276 0.2 . 1 . . . . . 446 E CO . 52233 1 128 . 1 . 1 32 32 GLU CA C 13 56.354 0.2 . 1 . . . . . 446 E CA . 52233 1 129 . 1 . 1 32 32 GLU CB C 13 30.620 0.3 . 1 . . . . . 446 E CB . 52233 1 130 . 1 . 1 32 32 GLU N N 15 120.125 . . 1 . . . . . 446 E N . 52233 1 131 . 1 . 1 33 33 ASP H H 1 8.214 . . 1 . . . . . 447 D HN . 52233 1 132 . 1 . 1 33 33 ASP C C 13 175.871 0.2 . 1 . . . . . 447 D CO . 52233 1 133 . 1 . 1 33 33 ASP CA C 13 54.326 0.2 . 1 . . . . . 447 D CA . 52233 1 134 . 1 . 1 33 33 ASP CB C 13 41.250 0.3 . 1 . . . . . 447 D CB . 52233 1 135 . 1 . 1 33 33 ASP N N 15 120.977 . . 1 . . . . . 447 D N . 52233 1 136 . 1 . 1 34 34 TRP H H 1 7.842 . . 1 . . . . . 448 W HN . 52233 1 137 . 1 . 1 34 34 TRP C C 13 175.818 0.2 . 1 . . . . . 448 W CO . 52233 1 138 . 1 . 1 34 34 TRP CA C 13 57.259 0.2 . 1 . . . . . 448 W CA . 52233 1 139 . 1 . 1 34 34 TRP CB C 13 29.670 0.3 . 1 . . . . . 448 W CB . 52233 1 140 . 1 . 1 34 34 TRP N N 15 121.677 . . 1 . . . . . 448 W N . 52233 1 141 . 1 . 1 35 35 ASP H H 1 8.006 . . 1 . . . . . 449 D HN . 52233 1 142 . 1 . 1 35 35 ASP C C 13 175.887 0.2 . 1 . . . . . 449 D CO . 52233 1 143 . 1 . 1 35 35 ASP CA C 13 54.082 0.2 . 1 . . . . . 449 D CA . 52233 1 144 . 1 . 1 35 35 ASP CB C 13 41.442 0.3 . 1 . . . . . 449 D CB . 52233 1 145 . 1 . 1 35 35 ASP N N 15 123.132 . . 1 . . . . . 449 D N . 52233 1 146 . 1 . 1 36 36 GLU H H 1 7.973 . . 1 . . . . . 450 E HN . 52233 1 147 . 1 . 1 36 36 GLU C C 13 176.629 0.2 . 1 . . . . . 450 E CO . 52233 1 148 . 1 . 1 36 36 GLU CA C 13 56.827 0.2 . 1 . . . . . 450 E CA . 52233 1 149 . 1 . 1 36 36 GLU CB C 13 30.689 0.3 . 1 . . . . . 450 E CB . 52233 1 150 . 1 . 1 36 36 GLU N N 15 121.987 . . 1 . . . . . 450 E N . 52233 1 151 . 1 . 1 37 37 GLU H H 1 8.232 . . 1 . . . . . 451 E HN . 52233 1 152 . 1 . 1 37 37 GLU C C 13 176.324 0.2 . 1 . . . . . 451 E CO . 52233 1 153 . 1 . 1 37 37 GLU CA C 13 56.598 0.2 . 1 . . . . . 451 E CA . 52233 1 154 . 1 . 1 37 37 GLU CB C 13 30.289 0.3 . 1 . . . . . 451 E CB . 52233 1 155 . 1 . 1 37 37 GLU N N 15 121.770 . . 1 . . . . . 451 E N . 52233 1 156 . 1 . 1 38 38 ALA H H 1 8.025 . . 1 . . . . . 452 A HN . 52233 1 157 . 1 . 1 38 38 ALA C C 13 177.863 0.2 . 1 . . . . . 452 A CO . 52233 1 158 . 1 . 1 38 38 ALA CA C 13 52.538 0.2 . 1 . . . . . 452 A CA . 52233 1 159 . 1 . 1 38 38 ALA CB C 13 19.822 0.3 . 1 . . . . . 452 A CB . 52233 1 160 . 1 . 1 38 38 ALA N N 15 125.428 . . 1 . . . . . 452 A N . 52233 1 161 . 1 . 1 39 39 GLU H H 1 8.243 . . 1 . . . . . 453 E HN . 52233 1 162 . 1 . 1 39 39 GLU C C 13 176.334 0.2 . 1 . . . . . 453 E CO . 52233 1 163 . 1 . 1 39 39 GLU CA C 13 56.354 0.2 . 1 . . . . . 453 E CA . 52233 1 164 . 1 . 1 39 39 GLU CB C 13 30.655 0.3 . 1 . . . . . 453 E CB . 52233 1 165 . 1 . 1 39 39 GLU N N 15 120.875 . . 1 . . . . . 453 E N . 52233 1 166 . 1 . 1 40 40 ASP H H 1 8.267 . . 1 . . . . . 454 D HN . 52233 1 167 . 1 . 1 40 40 ASP C C 13 176.180 0.2 . 1 . . . . . 454 D CO . 52233 1 168 . 1 . 1 40 40 ASP CA C 13 54.482 0.2 . 1 . . . . . 454 D CA . 52233 1 169 . 1 . 1 40 40 ASP CB C 13 41.728 0.3 . 1 . . . . . 454 D CB . 52233 1 170 . 1 . 1 40 40 ASP N N 15 122.085 . . 1 . . . . . 454 D N . 52233 1 171 . 1 . 1 41 41 ASP H H 1 8.196 . . 1 . . . . . 455 D HN . 52233 1 172 . 1 . 1 41 41 ASP C C 13 177.091 0.2 . 1 . . . . . 455 D CO . 52233 1 173 . 1 . 1 41 41 ASP CA C 13 54.711 0.2 . 1 . . . . . 455 D CA . 52233 1 174 . 1 . 1 41 41 ASP CB C 13 41.442 0.3 . 1 . . . . . 455 D CB . 52233 1 175 . 1 . 1 41 41 ASP N N 15 122.151 . . 1 . . . . . 455 D N . 52233 1 176 . 1 . 1 42 42 GLY H H 1 8.237 . . 1 . . . . . 456 G HN . 52233 1 177 . 1 . 1 42 42 GLY C C 13 174.422 0.2 . 1 . . . . . 456 G CO . 52233 1 178 . 1 . 1 42 42 GLY CA C 13 45.552 0.2 . 1 . . . . . 456 G CA . 52233 1 179 . 1 . 1 42 42 GLY N N 15 108.835 . . 1 . . . . . 456 G N . 52233 1 180 . 1 . 1 43 43 PHE H H 1 7.940 . . 1 . . . . . 457 F HN . 52233 1 181 . 1 . 1 43 43 PHE C C 13 175.749 0.2 . 1 . . . . . 457 F CO . 52233 1 182 . 1 . 1 43 43 PHE CA C 13 58.068 0.2 . 1 . . . . . 457 F CA . 52233 1 183 . 1 . 1 43 43 PHE CB C 13 39.746 0.3 . 1 . . . . . 457 F CB . 52233 1 184 . 1 . 1 43 43 PHE N N 15 120.200 . . 1 . . . . . 457 F N . 52233 1 185 . 1 . 1 44 44 ASP H H 1 8.243 . . 1 . . . . . 458 D HN . 52233 1 186 . 1 . 1 44 44 ASP C C 13 176.835 0.2 . 1 . . . . . 458 D CO . 52233 1 187 . 1 . 1 44 44 ASP CA C 13 54.825 0.2 . 1 . . . . . 458 D CA . 52233 1 188 . 1 . 1 44 44 ASP CB C 13 41.270 0.3 . 1 . . . . . 458 D CB . 52233 1 189 . 1 . 1 44 44 ASP N N 15 122.518 . . 1 . . . . . 458 D N . 52233 1 190 . 1 . 1 45 45 SER H H 1 8.049 . . 1 . . . . . 459 S HN . 52233 1 191 . 1 . 1 45 45 SER C C 13 174.701 0.2 . 1 . . . . . 459 S CO . 52233 1 192 . 1 . 1 45 45 SER CA C 13 59.182 0.2 . 1 . . . . . 459 S CA . 52233 1 193 . 1 . 1 45 45 SER CB C 13 64.015 0.3 . 1 . . . . . 459 S CB . 52233 1 194 . 1 . 1 45 45 SER N N 15 115.767 . . 1 . . . . . 459 S N . 52233 1 195 . 1 . 1 46 46 ASP H H 1 8.179 . . 1 . . . . . 460 D HN . 52233 1 196 . 1 . 1 46 46 ASP C C 13 177.044 0.2 . 1 . . . . . 460 D CO . 52233 1 197 . 1 . 1 46 46 ASP N N 15 122.251 . . 1 . . . . . 460 D N . 52233 1 198 . 1 . 1 47 47 SER H H 1 8.083 . . 1 . . . . . 461 S HN . 52233 1 199 . 1 . 1 47 47 SER C C 13 175.018 0.2 . 1 . . . . . 461 S CO . 52233 1 200 . 1 . 1 47 47 SER CA C 13 59.082 0.2 . 1 . . . . . 461 S CA . 52233 1 201 . 1 . 1 47 47 SER CB C 13 63.907 0.3 . 1 . . . . . 461 S CB . 52233 1 202 . 1 . 1 47 47 SER N N 15 117.027 . . 1 . . . . . 461 S N . 52233 1 203 . 1 . 1 48 48 SER H H 1 8.209 . . 1 . . . . . 462 S HN . 52233 1 204 . 1 . 1 48 48 SER C C 13 174.837 0.2 . 1 . . . . . 462 S CO . 52233 1 205 . 1 . 1 48 48 SER CA C 13 59.222 0.2 . 1 . . . . . 462 S CA . 52233 1 206 . 1 . 1 48 48 SER CB C 13 63.872 0.3 . 1 . . . . . 462 S CB . 52233 1 207 . 1 . 1 48 48 SER N N 15 118.072 . . 1 . . . . . 462 S N . 52233 1 208 . 1 . 1 49 49 LEU H H 1 7.971 . . 1 . . . . . 463 L HN . 52233 1 209 . 1 . 1 49 49 LEU C C 13 177.728 0.2 . 1 . . . . . 463 L CO . 52233 1 210 . 1 . 1 49 49 LEU CA C 13 55.455 0.2 . 1 . . . . . 463 L CA . 52233 1 211 . 1 . 1 49 49 LEU CB C 13 42.300 0.3 . 1 . . . . . 463 L CB . 52233 1 212 . 1 . 1 49 49 LEU N N 15 123.600 . . 1 . . . . . 463 L N . 52233 1 213 . 1 . 1 50 50 SER H H 1 8.143 . . 1 . . . . . 464 S HN . 52233 1 214 . 1 . 1 50 50 SER C C 13 174.642 0.2 . 1 . . . . . 464 S CO . 52233 1 215 . 1 . 1 50 50 SER CA C 13 58.662 0.2 . 1 . . . . . 464 S CA . 52233 1 216 . 1 . 1 50 50 SER CB C 13 64.082 0.3 . 1 . . . . . 464 S CB . 52233 1 217 . 1 . 1 50 50 SER N N 15 116.487 . . 1 . . . . . 464 S N . 52233 1 218 . 1 . 1 51 51 ASP H H 1 8.220 . . 1 . . . . . 465 D HN . 52233 1 219 . 1 . 1 51 51 ASP C C 13 176.303 0.2 . 1 . . . . . 465 D CO . 52233 1 220 . 1 . 1 51 51 ASP CA C 13 54.021 0.2 . 1 . . . . . 465 D CA . 52233 1 221 . 1 . 1 51 51 ASP CB C 13 41.270 0.3 . 1 . . . . . 465 D CB . 52233 1 222 . 1 . 1 51 51 ASP N N 15 122.638 . . 1 . . . . . 465 D N . 52233 1 223 . 1 . 1 52 52 SER H H 1 8.082 . . 1 . . . . . 466 S HN . 52233 1 224 . 1 . 1 52 52 SER C C 13 174.742 0.2 . 1 . . . . . 466 S CO . 52233 1 225 . 1 . 1 52 52 SER CA C 13 59.082 0.2 . 1 . . . . . 466 S CA . 52233 1 226 . 1 . 1 52 52 SER CB C 13 63.907 0.3 . 1 . . . . . 466 S CB . 52233 1 227 . 1 . 1 52 52 SER N N 15 116.970 . . 1 . . . . . 466 S N . 52233 1 228 . 1 . 1 53 53 ASP H H 1 8.254 . . 1 . . . . . 467 D HN . 52233 1 229 . 1 . 1 53 53 ASP C C 13 176.215 0.2 . 1 . . . . . 467 D CO . 52233 1 230 . 1 . 1 53 53 ASP CA C 13 54.539 0.2 . 1 . . . . . 467 D CA . 52233 1 231 . 1 . 1 53 53 ASP CB C 13 41.270 0.3 . 1 . . . . . 467 D CB . 52233 1 232 . 1 . 1 53 53 ASP N N 15 122.134 . . 1 . . . . . 467 D N . 52233 1 233 . 1 . 1 55 55 GLU H H 1 8.107 . . 1 . . . . . 469 E HN . 52233 1 234 . 1 . 1 55 55 GLU C C 13 176.513 0.2 . 1 . . . . . 469 E CO . 52233 1 235 . 1 . 1 55 55 GLU N N 15 121.052 . . 1 . . . . . 469 E N . 52233 1 236 . 1 . 1 56 56 GLN H H 1 8.096 . . 1 . . . . . 470 Q HN . 52233 1 237 . 1 . 1 56 56 GLN C C 13 175.539 0.2 . 1 . . . . . 470 Q CO . 52233 1 238 . 1 . 1 56 56 GLN CA C 13 55.748 0.2 . 1 . . . . . 470 Q CA . 52233 1 239 . 1 . 1 56 56 GLN CB C 13 31.012 0.3 . 1 . . . . . 470 Q CB . 52233 1 240 . 1 . 1 56 56 GLN N N 15 120.973 . . 1 . . . . . 470 Q N . 52233 1 241 . 1 . 1 57 57 ASP H H 1 8.372 . . 1 . . . . . 471 D HN . 52233 1 242 . 1 . 1 57 57 ASP C C 13 175.016 0.2 . 1 . . . . . 471 D CO . 52233 1 243 . 1 . 1 57 57 ASP CA C 13 52.709 0.2 . 1 . . . . . 471 D CA . 52233 1 244 . 1 . 1 57 57 ASP CB C 13 41.098 0.3 . 1 . . . . . 471 D CB . 52233 1 245 . 1 . 1 57 57 ASP N N 15 122.660 . . 1 . . . . . 471 D N . 52233 1 246 . 1 . 1 59 59 GLU H H 1 8.344 . . 1 . . . . . 473 E HN . 52233 1 247 . 1 . 1 59 59 GLU C C 13 177.485 0.2 . 1 . . . . . 473 E CO . 52233 1 248 . 1 . 1 59 59 GLU N N 15 118.867 . . 1 . . . . . 473 E N . 52233 1 249 . 1 . 1 60 60 GLY H H 1 7.931 . . 1 . . . . . 474 G HN . 52233 1 250 . 1 . 1 60 60 GLY C C 13 174.654 0.2 . 1 . . . . . 474 G CO . 52233 1 251 . 1 . 1 60 60 GLY CA C 13 46.070 0.2 . 1 . . . . . 474 G CA . 52233 1 252 . 1 . 1 60 60 GLY N N 15 108.815 . . 1 . . . . . 474 G N . 52233 1 253 . 1 . 1 61 61 LEU H H 1 7.936 . . 1 . . . . . 475 L HN . 52233 1 254 . 1 . 1 61 61 LEU C C 13 177.677 0.2 . 1 . . . . . 475 L CO . 52233 1 255 . 1 . 1 61 61 LEU N N 15 121.291 . . 1 . . . . . 475 L N . 52233 1 256 . 1 . 1 62 62 HIS H H 1 8.316 . . 1 . . . . . 476 H HN . 52233 1 257 . 1 . 1 62 62 HIS C C 13 175.722 0.2 . 1 . . . . . 476 H CO . 52233 1 258 . 1 . 1 62 62 HIS CA C 13 56.250 0.2 . 1 . . . . . 476 H CA . 52233 1 259 . 1 . 1 62 62 HIS CB C 13 30.096 0.3 . 1 . . . . . 476 H CB . 52233 1 260 . 1 . 1 62 62 HIS N N 15 119.096 . . 1 . . . . . 476 H N . 52233 1 261 . 1 . 1 63 63 LEU H H 1 7.786 . . 1 . . . . . 477 L HN . 52233 1 262 . 1 . 1 63 63 LEU C C 13 177.633 0.2 . 1 . . . . . 477 L CO . 52233 1 263 . 1 . 1 63 63 LEU CA C 13 56.026 0.2 . 1 . . . . . 477 L CA . 52233 1 264 . 1 . 1 63 63 LEU CB C 13 42.185 0.3 . 1 . . . . . 477 L CB . 52233 1 265 . 1 . 1 63 63 LEU N N 15 122.207 . . 1 . . . . . 477 L N . 52233 1 266 . 1 . 1 64 64 TRP H H 1 7.869 . . 1 . . . . . 478 W HN . 52233 1 267 . 1 . 1 64 64 TRP C C 13 176.301 0.2 . 1 . . . . . 478 W CO . 52233 1 268 . 1 . 1 64 64 TRP CA C 13 56.110 0.2 . 1 . . . . . 478 W CA . 52233 1 269 . 1 . 1 64 64 TRP CB C 13 30.620 0.3 . 1 . . . . . 478 W CB . 52233 1 270 . 1 . 1 64 64 TRP N N 15 120.651 . . 1 . . . . . 478 W N . 52233 1 271 . 1 . 1 65 65 ASN H H 1 7.840 . . 1 . . . . . 479 N HN . 52233 1 272 . 1 . 1 65 65 ASN C C 13 175.299 0.2 . 1 . . . . . 479 N CO . 52233 1 273 . 1 . 1 65 65 ASN N N 15 119.823 . . 1 . . . . . 479 N N . 52233 1 274 . 1 . 1 66 66 SER H H 1 7.811 . . 1 . . . . . 480 S HN . 52233 1 275 . 1 . 1 66 66 SER C C 13 174.479 0.2 . 1 . . . . . 480 S CO . 52233 1 276 . 1 . 1 66 66 SER N N 15 115.590 . . 1 . . . . . 480 S N . 52233 1 277 . 1 . 1 71 71 ASP H H 1 8.198 . . 1 . . . . . 485 D HN . 52233 1 278 . 1 . 1 71 71 ASP C C 13 175.037 0.2 . 1 . . . . . 485 D CO . 52233 1 279 . 1 . 1 71 71 ASP CA C 13 52.080 0.2 . 1 . . . . . 485 D CA . 52233 1 280 . 1 . 1 71 71 ASP CB C 13 41.499 0.3 . 1 . . . . . 485 D CB . 52233 1 281 . 1 . 1 71 71 ASP N N 15 125.530 . . 1 . . . . . 485 D N . 52233 1 282 . 1 . 1 73 73 TYR H H 1 8.051 . . 1 . . . . . 487 Y HN . 52233 1 283 . 1 . 1 73 73 TYR C C 13 175.342 0.2 . 1 . . . . . 487 Y CO . 52233 1 284 . 1 . 1 73 73 TYR CA C 13 58.033 0.2 . 1 . . . . . 487 Y CA . 52233 1 285 . 1 . 1 73 73 TYR CB C 13 38.313 0.3 . 1 . . . . . 487 Y CB . 52233 1 286 . 1 . 1 73 73 TYR N N 15 118.966 . . 1 . . . . . 487 Y N . 52233 1 287 . 1 . 1 74 74 ASN H H 1 7.652 . . 1 . . . . . 488 N HN . 52233 1 288 . 1 . 1 74 74 ASN C C 13 179.200 0.2 . 1 . . . . . 488 N CO . 52233 1 289 . 1 . 1 74 74 ASN CA C 13 51.086 0.2 . 1 . . . . . 488 N CA . 52233 1 290 . 1 . 1 74 74 ASN CB C 13 39.484 0.3 . 1 . . . . . 488 N CB . 52233 1 291 . 1 . 1 74 74 ASN N N 15 121.424 . . 1 . . . . . 488 N N . 52233 1 292 . 1 . 1 76 76 GLN H H 1 8.106 . . 1 . . . . . 490 Q HN . 52233 1 293 . 1 . 1 76 76 GLN C C 13 175.969 0.2 . 1 . . . . . 490 Q CO . 52233 1 294 . 1 . 1 76 76 GLN CA C 13 56.284 0.2 . 1 . . . . . 490 Q CA . 52233 1 295 . 1 . 1 76 76 GLN CB C 13 29.082 0.3 . 1 . . . . . 490 Q CB . 52233 1 296 . 1 . 1 76 76 GLN N N 15 118.326 . . 1 . . . . . 490 Q N . 52233 1 297 . 1 . 1 77 77 ASN H H 1 7.893 . . 1 . . . . . 491 N HN . 52233 1 298 . 1 . 1 77 77 ASN C C 13 174.983 0.2 . 1 . . . . . 491 N CO . 52233 1 299 . 1 . 1 77 77 ASN CA C 13 53.208 0.2 . 1 . . . . . 491 N CA . 52233 1 300 . 1 . 1 77 77 ASN CB C 13 38.802 0.3 . 1 . . . . . 491 N CB . 52233 1 301 . 1 . 1 77 77 ASN N N 15 118.284 . . 1 . . . . . 491 N N . 52233 1 302 . 1 . 1 78 78 PHE H H 1 7.901 . . 1 . . . . . 492 F HN . 52233 1 303 . 1 . 1 78 78 PHE C C 13 175.941 0.2 . 1 . . . . . 492 F CO . 52233 1 304 . 1 . 1 78 78 PHE CA C 13 58.068 0.2 . 1 . . . . . 492 F CA . 52233 1 305 . 1 . 1 78 78 PHE CB C 13 39.711 0.3 . 1 . . . . . 492 F CB . 52233 1 306 . 1 . 1 78 78 PHE N N 15 120.751 . . 1 . . . . . 492 F N . 52233 1 307 . 1 . 1 79 79 THR H H 1 7.870 . . 1 . . . . . 493 T HN . 52233 1 308 . 1 . 1 79 79 THR C C 13 180.041 0.2 . 1 . . . . . 493 T CO . 52233 1 309 . 1 . 1 79 79 THR CA C 13 62.194 0.2 . 1 . . . . . 493 T CA . 52233 1 310 . 1 . 1 79 79 THR CB C 13 70.235 0.3 . 1 . . . . . 493 T CB . 52233 1 311 . 1 . 1 79 79 THR N N 15 116.438 . . 1 . . . . . 493 T N . 52233 1 312 . 1 . 1 80 80 ALA H H 1 8.082 . . 1 . . . . . 494 A HN . 52233 1 313 . 1 . 1 80 80 ALA C C 13 177.934 0.2 . 1 . . . . . 494 A CO . 52233 1 314 . 1 . 1 80 80 ALA CA C 13 52.846 0.2 . 1 . . . . . 494 A CA . 52233 1 315 . 1 . 1 80 80 ALA CB C 13 19.479 0.3 . 1 . . . . . 494 A CB . 52233 1 316 . 1 . 1 80 80 ALA N N 15 126.693 . . 1 . . . . . 494 A N . 52233 1 317 . 1 . 1 81 81 THR H H 1 7.997 . . 1 . . . . . 495 T HN . 52233 1 318 . 1 . 1 81 81 THR C C 13 174.731 0.2 . 1 . . . . . 495 T CO . 52233 1 319 . 1 . 1 81 81 THR CA C 13 62.292 0.2 . 1 . . . . . 495 T CA . 52233 1 320 . 1 . 1 81 81 THR CB C 13 70.065 0.3 . 1 . . . . . 495 T CB . 52233 1 321 . 1 . 1 81 81 THR N N 15 114.451 . . 1 . . . . . 495 T N . 52233 1 322 . 1 . 1 82 82 ILE H H 1 8.039 . . 1 . . . . . 496 I HN . 52233 1 323 . 1 . 1 82 82 ILE C C 13 176.364 0.2 . 1 . . . . . 496 I CO . 52233 1 324 . 1 . 1 82 82 ILE CA C 13 61.346 0.2 . 1 . . . . . 496 I CA . 52233 1 325 . 1 . 1 82 82 ILE CB C 13 38.753 0.3 . 1 . . . . . 496 I CB . 52233 1 326 . 1 . 1 82 82 ILE N N 15 123.885 . . 1 . . . . . 496 I N . 52233 1 327 . 1 . 1 83 83 GLN H H 1 8.358 . . 1 . . . . . 497 Q HN . 52233 1 328 . 1 . 1 83 83 GLN C C 13 176.242 0.2 . 1 . . . . . 497 Q CO . 52233 1 329 . 1 . 1 83 83 GLN CA C 13 55.912 0.2 . 1 . . . . . 497 Q CA . 52233 1 330 . 1 . 1 83 83 GLN CB C 13 29.659 0.3 . 1 . . . . . 497 Q CB . 52233 1 331 . 1 . 1 83 83 GLN N N 15 125.013 . . 1 . . . . . 497 Q N . 52233 1 332 . 1 . 1 84 84 THR H H 1 8.052 . . 1 . . . . . 498 T HN . 52233 1 333 . 1 . 1 84 84 THR C C 13 174.368 0.2 . 1 . . . . . 498 T CO . 52233 1 334 . 1 . 1 84 84 THR CA C 13 62.194 0.2 . 1 . . . . . 498 T CA . 52233 1 335 . 1 . 1 84 84 THR CB C 13 70.131 0.3 . 1 . . . . . 498 T CB . 52233 1 336 . 1 . 1 84 84 THR N N 15 116.495 . . 1 . . . . . 498 T N . 52233 1 337 . 1 . 1 85 85 ALA H H 1 8.160 . . 1 . . . . . 499 A HN . 52233 1 338 . 1 . 1 85 85 ALA C C 13 177.455 0.2 . 1 . . . . . 499 A CO . 52233 1 339 . 1 . 1 85 85 ALA CA C 13 52.652 0.2 . 1 . . . . . 499 A CA . 52233 1 340 . 1 . 1 85 85 ALA CB C 13 19.536 0.3 . 1 . . . . . 499 A CB . 52233 1 341 . 1 . 1 85 85 ALA N N 15 126.637 . . 1 . . . . . 499 A N . 52233 1 342 . 1 . 1 86 86 ALA H H 1 8.084 . . 1 . . . . . 500 A HN . 52233 1 343 . 1 . 1 86 86 ALA N N 15 123.603 . . 1 . . . . . 500 A N . 52233 1 344 . 1 . 1 88 88 ILE H H 1 8.167 . . 1 . . . . . 502 I HN . 52233 1 345 . 1 . 1 88 88 ILE C C 13 176.467 0.2 . 1 . . . . . 502 I CO . 52233 1 346 . 1 . 1 88 88 ILE CA C 13 61.002 0.2 . 1 . . . . . 502 I CA . 52233 1 347 . 1 . 1 88 88 ILE CB C 13 38.525 0.3 . 1 . . . . . 502 I CB . 52233 1 348 . 1 . 1 88 88 ILE N N 15 123.985 . . 1 . . . . . 502 I N . 52233 1 349 . 1 . 1 89 89 VAL H H 1 8.214 . . 1 . . . . . 503 V HN . 52233 1 350 . 1 . 1 89 89 VAL C C 13 174.647 0.2 . 1 . . . . . 503 V CO . 52233 1 351 . 1 . 1 89 89 VAL CA C 13 59.821 0.2 . 1 . . . . . 503 V CA . 52233 1 352 . 1 . 1 89 89 VAL CB C 13 32.877 0.3 . 1 . . . . . 503 V CB . 52233 1 353 . 1 . 1 89 89 VAL N N 15 127.344 . . 1 . . . . . 503 V N . 52233 1 354 . 1 . 1 91 91 GLU H H 1 8.313 . . 1 . . . . . 505 E HN . 52233 1 355 . 1 . 1 91 91 GLU C C 13 176.556 0.2 . 1 . . . . . 505 E CO . 52233 1 356 . 1 . 1 91 91 GLU CA C 13 56.582 0.2 . 1 . . . . . 505 E CA . 52233 1 357 . 1 . 1 91 91 GLU CB C 13 30.804 0.3 . 1 . . . . . 505 E CB . 52233 1 358 . 1 . 1 91 91 GLU N N 15 121.437 . . 1 . . . . . 505 E N . 52233 1 359 . 1 . 1 92 92 GLU H H 1 8.342 . . 1 . . . . . 506 E HN . 52233 1 360 . 1 . 1 92 92 GLU CA C 13 54.368 0.2 . 1 . . . . . 506 E CA . 52233 1 361 . 1 . 1 92 92 GLU CB C 13 29.831 0.3 . 1 . . . . . 506 E CB . 52233 1 362 . 1 . 1 92 92 GLU N N 15 123.888 . . 1 . . . . . 506 E N . 52233 1 363 . 1 . 1 94 94 SER H H 1 8.399 . . 1 . . . . . 508 S HN . 52233 1 364 . 1 . 1 94 94 SER C C 13 174.778 0.2 . 1 . . . . . 508 S CO . 52233 1 365 . 1 . 1 94 94 SER CA C 13 58.487 0.2 . 1 . . . . . 508 S CA . 52233 1 366 . 1 . 1 94 94 SER CB C 13 64.187 0.3 . 1 . . . . . 508 S CB . 52233 1 367 . 1 . 1 94 94 SER N N 15 116.599 . . 1 . . . . . 508 S N . 52233 1 368 . 1 . 1 95 95 ASP H H 1 8.333 . . 1 . . . . . 509 D HN . 52233 1 369 . 1 . 1 95 95 ASP C C 13 176.870 0.2 . 1 . . . . . 509 D CO . 52233 1 370 . 1 . 1 95 95 ASP CA C 13 54.825 0.2 . 1 . . . . . 509 D CA . 52233 1 371 . 1 . 1 95 95 ASP CB C 13 41.156 0.3 . 1 . . . . . 509 D CB . 52233 1 372 . 1 . 1 95 95 ASP N N 15 122.615 . . 1 . . . . . 509 D N . 52233 1 373 . 1 . 1 96 96 SER H H 1 8.098 . . 1 . . . . . 510 S HN . 52233 1 374 . 1 . 1 96 96 SER C C 13 175.158 0.2 . 1 . . . . . 510 S CO . 52233 1 375 . 1 . 1 96 96 SER CA C 13 59.298 0.2 . 1 . . . . . 510 S CA . 52233 1 376 . 1 . 1 96 96 SER CB C 13 63.783 0.3 . 1 . . . . . 510 S CB . 52233 1 377 . 1 . 1 96 96 SER N N 15 115.855 . . 1 . . . . . 510 S N . 52233 1 378 . 1 . 1 97 97 GLU H H 1 8.165 . . 1 . . . . . 511 E HN . 52233 1 379 . 1 . 1 97 97 GLU C C 13 176.308 0.2 . 1 . . . . . 511 E CO . 52233 1 380 . 1 . 1 97 97 GLU CA C 13 57.285 0.2 . 1 . . . . . 511 E CA . 52233 1 381 . 1 . 1 97 97 GLU CB C 13 30.174 0.3 . 1 . . . . . 511 E CB . 52233 1 382 . 1 . 1 97 97 GLU N N 15 122.326 . . 1 . . . . . 511 E N . 52233 1 383 . 1 . 1 98 98 LYS H H 1 7.928 . . 1 . . . . . 512 K HN . 52233 1 384 . 1 . 1 98 98 LYS C C 13 175.753 0.2 . 1 . . . . . 512 K CO . 52233 1 385 . 1 . 1 98 98 LYS CA C 13 56.993 0.2 . 1 . . . . . 512 K CA . 52233 1 386 . 1 . 1 98 98 LYS CB C 13 33.302 0.3 . 1 . . . . . 512 K CB . 52233 1 387 . 1 . 1 98 98 LYS N N 15 121.506 . . 1 . . . . . 512 K N . 52233 1 388 . 1 . 1 99 99 ASP H H 1 8.154 . . 1 . . . . . 513 D HN . 52233 1 389 . 1 . 1 99 99 ASP C C 13 176.834 0.2 . 1 . . . . . 513 D CO . 52233 1 390 . 1 . 1 99 99 ASP CA C 13 54.641 0.2 . 1 . . . . . 513 D CA . 52233 1 391 . 1 . 1 99 99 ASP CB C 13 41.040 0.3 . 1 . . . . . 513 D CB . 52233 1 392 . 1 . 1 99 99 ASP N N 15 120.963 . . 1 . . . . . 513 D N . 52233 1 393 . 1 . 1 100 100 LEU H H 1 8.211 . . 1 . . . . . 514 L HN . 52233 1 394 . 1 . 1 100 100 LEU C C 13 178.287 0.2 . 1 . . . . . 514 L CO . 52233 1 395 . 1 . 1 100 100 LEU CA C 13 55.569 0.2 . 1 . . . . . 514 L CA . 52233 1 396 . 1 . 1 100 100 LEU CB C 13 41.842 0.3 . 1 . . . . . 514 L CB . 52233 1 397 . 1 . 1 100 100 LEU N N 15 123.993 . . 1 . . . . . 514 L N . 52233 1 398 . 1 . 1 101 101 SER H H 1 8.186 . . 1 . . . . . 515 S HN . 52233 1 399 . 1 . 1 101 101 SER C C 13 175.572 0.2 . 1 . . . . . 515 S CO . 52233 1 400 . 1 . 1 101 101 SER CA C 13 59.676 0.2 . 1 . . . . . 515 S CA . 52233 1 401 . 1 . 1 101 101 SER CB C 13 63.837 0.3 . 1 . . . . . 515 S CB . 52233 1 402 . 1 . 1 101 101 SER N N 15 116.286 . . 1 . . . . . 515 S N . 52233 1 403 . 1 . 1 102 102 GLY H H 1 8.209 . . 1 . . . . . 516 G HN . 52233 1 404 . 1 . 1 102 102 GLY C C 13 174.505 0.2 . 1 . . . . . 516 G CO . 52233 1 405 . 1 . 1 102 102 GLY CA C 13 45.592 0.2 . 1 . . . . . 516 G CA . 52233 1 406 . 1 . 1 102 102 GLY N N 15 110.721 . . 1 . . . . . 516 G N . 52233 1 407 . 1 . 1 103 103 LYS H H 1 7.881 . . 1 . . . . . 517 K HN . 52233 1 408 . 1 . 1 103 103 LYS C C 13 176.301 0.2 . 1 . . . . . 517 K CO . 52233 1 409 . 1 . 1 103 103 LYS N N 15 120.705 . . 1 . . . . . 517 K N . 52233 1 410 . 1 . 1 105 105 ASP H H 1 8.247 . . 1 . . . . . 519 D HN . 52233 1 411 . 1 . 1 105 105 ASP C C 13 176.750 0.2 . 1 . . . . . 519 D CO . 52233 1 412 . 1 . 1 105 105 ASP CA C 13 54.825 0.2 . 1 . . . . . 519 D CA . 52233 1 413 . 1 . 1 105 105 ASP CB C 13 41.213 0.3 . 1 . . . . . 519 D CB . 52233 1 414 . 1 . 1 105 105 ASP N N 15 122.331 . . 1 . . . . . 519 D N . 52233 1 415 . 1 . 1 106 106 LEU H H 1 7.942 . . 1 . . . . . 520 L H . 52233 1 416 . 1 . 1 106 106 LEU N N 15 121.516 . . 1 . . . . . 520 L N . 52233 1 417 . 1 . 1 107 107 GLU H H 1 8.117 . . 1 . . . . . 521 E HN . 52233 1 418 . 1 . 1 107 107 GLU N N 15 120.686 . . 1 . . . . . 521 E N . 52233 1 419 . 1 . 1 108 108 ASN H H 1 8.176 . . 1 . . . . . 522 N HN . 52233 1 420 . 1 . 1 108 108 ASN C C 13 175.758 0.2 . 1 . . . . . 522 N CO . 52233 1 421 . 1 . 1 108 108 ASN N N 15 119.160 . . 1 . . . . . 522 N N . 52233 1 422 . 1 . 1 109 109 SER H H 1 8.153 . . 1 . . . . . 523 S HN . 52233 1 423 . 1 . 1 109 109 SER C C 13 175.131 0.2 . 1 . . . . . 523 S CO . 52233 1 424 . 1 . 1 109 109 SER CA C 13 58.662 0.2 . 1 . . . . . 523 S CA . 52233 1 425 . 1 . 1 109 109 SER CB C 13 64.082 0.3 . 1 . . . . . 523 S CB . 52233 1 426 . 1 . 1 109 109 SER N N 15 116.494 . . 1 . . . . . 523 S N . 52233 1 427 . 1 . 1 110 110 SER H H 1 8.213 . . 1 . . . . . 524 S HN . 52233 1 428 . 1 . 1 110 110 SER C C 13 174.916 0.2 . 1 . . . . . 524 S CO . 52233 1 429 . 1 . 1 110 110 SER CA C 13 58.942 0.2 . 1 . . . . . 524 S CA . 52233 1 430 . 1 . 1 110 110 SER CB C 13 63.942 0.3 . 1 . . . . . 524 S CB . 52233 1 431 . 1 . 1 110 110 SER N N 15 117.685 . . 1 . . . . . 524 S N . 52233 1 432 . 1 . 1 111 111 GLN H H 1 8.185 . . 1 . . . . . 525 Q HN . 52233 1 433 . 1 . 1 111 111 GLN C C 13 176.369 0.2 . 1 . . . . . 525 Q CO . 52233 1 434 . 1 . 1 111 111 GLN CA C 13 56.026 0.2 . 1 . . . . . 525 Q CA . 52233 1 435 . 1 . 1 111 111 GLN CB C 13 29.545 0.3 . 1 . . . . . 525 Q CB . 52233 1 436 . 1 . 1 111 111 GLN N N 15 121.873 . . 1 . . . . . 525 Q N . 52233 1 437 . 1 . 1 112 112 SER H H 1 8.173 . . 1 . . . . . 526 S HN . 52233 1 438 . 1 . 1 112 112 SER C C 13 175.268 0.2 . 1 . . . . . 526 S CO . 52233 1 439 . 1 . 1 112 112 SER CA C 13 58.837 0.2 . 1 . . . . . 526 S CA . 52233 1 440 . 1 . 1 112 112 SER CB C 13 63.977 0.3 . 1 . . . . . 526 S CB . 52233 1 441 . 1 . 1 112 112 SER N N 15 116.877 . . 1 . . . . . 526 S N . 52233 1 442 . 1 . 1 113 113 GLY H H 1 8.271 . . 1 . . . . . 527 G HN . 52233 1 443 . 1 . 1 113 113 GLY C C 13 174.148 0.2 . 1 . . . . . 527 G CO . 52233 1 444 . 1 . 1 113 113 GLY CA C 13 45.352 0.2 . 1 . . . . . 527 G CA . 52233 1 445 . 1 . 1 113 113 GLY N N 15 111.087 . . 1 . . . . . 527 G N . 52233 1 446 . 1 . 1 114 114 SER H H 1 7.998 . . 1 . . . . . 528 S HN . 52233 1 447 . 1 . 1 114 114 SER C C 13 174.291 0.2 . 1 . . . . . 528 S CO . 52233 1 448 . 1 . 1 114 114 SER CA C 13 58.370 0.2 . 1 . . . . . 528 S CA . 52233 1 449 . 1 . 1 114 114 SER CB C 13 64.092 0.3 . 1 . . . . . 528 S CB . 52233 1 450 . 1 . 1 114 114 SER N N 15 115.625 . . 1 . . . . . 528 S N . 52233 1 451 . 1 . 1 115 115 LEU H H 1 8.193 . . 1 . . . . . 529 L HN . 52233 1 452 . 1 . 1 115 115 LEU C C 13 175.396 0.2 . 1 . . . . . 529 L CO . 52233 1 453 . 1 . 1 115 115 LEU CA C 13 53.224 0.2 . 1 . . . . . 529 L CA . 52233 1 454 . 1 . 1 115 115 LEU CB C 13 41.785 0.3 . 1 . . . . . 529 L CB . 52233 1 455 . 1 . 1 115 115 LEU N N 15 125.300 . . 1 . . . . . 529 L N . 52233 1 456 . 1 . 1 117 117 GLU H H 1 8.318 . . 1 . . . . . 531 E HN . 52233 1 457 . 1 . 1 117 117 GLU C C 13 176.782 0.2 . 1 . . . . . 531 E CO . 52233 1 458 . 1 . 1 117 117 GLU CA C 13 56.887 0.2 . 1 . . . . . 531 E CA . 52233 1 459 . 1 . 1 117 117 GLU CB C 13 30.586 0.3 . 1 . . . . . 531 E CB . 52233 1 460 . 1 . 1 117 117 GLU N N 15 121.360 . . 1 . . . . . 531 E N . 52233 1 461 . 1 . 1 118 118 THR H H 1 8.183 . . 1 . . . . . 532 T HN . 52233 1 462 . 1 . 1 118 118 THR C C 13 178.936 0.2 . 1 . . . . . 532 T CO . 52233 1 463 . 1 . 1 118 118 THR CA C 13 59.851 0.2 . 1 . . . . . 532 T CA . 52233 1 464 . 1 . 1 118 118 THR CB C 13 70.026 0.3 . 1 . . . . . 532 T CB . 52233 1 465 . 1 . 1 118 118 THR N N 15 118.034 . . 1 . . . . . 532 T N . 52233 1 466 . 1 . 1 120 120 GLU H H 1 8.057 . . 1 . . . . . 534 E HN . 52233 1 467 . 1 . 1 120 120 GLU C C 13 176.930 0.2 . 1 . . . . . 534 E CO . 52233 1 468 . 1 . 1 120 120 GLU CA C 13 57.159 0.2 . 1 . . . . . 534 E CA . 52233 1 469 . 1 . 1 120 120 GLU CB C 13 30.026 0.3 . 1 . . . . . 534 E CB . 52233 1 470 . 1 . 1 120 120 GLU N N 15 118.887 . . 1 . . . . . 534 E N . 52233 1 471 . 1 . 1 123 123 SER H H 1 8.439 . . 1 . . . . . 537 S HN . 52233 1 472 . 1 . 1 123 123 SER C C 13 175.227 0.2 . 1 . . . . . 537 S CO . 52233 1 473 . 1 . 1 123 123 SER CA C 13 58.802 0.2 . 1 . . . . . 537 S CA . 52233 1 474 . 1 . 1 123 123 SER CB C 13 64.012 0.3 . 1 . . . . . 537 S CB . 52233 1 475 . 1 . 1 123 123 SER N N 15 118.547 . . 1 . . . . . 537 S N . 52233 1 476 . 1 . 1 124 124 GLY H H 1 8.319 . . 1 . . . . . 538 G HN . 52233 1 477 . 1 . 1 124 124 GLY C C 13 174.379 0.2 . 1 . . . . . 538 G CO . 52233 1 478 . 1 . 1 124 124 GLY CA C 13 45.472 0.2 . 1 . . . . . 538 G CA . 52233 1 479 . 1 . 1 124 124 GLY N N 15 111.074 . . 1 . . . . . 538 G N . 52233 1 480 . 1 . 1 125 125 GLU H H 1 8.123 . . 1 . . . . . 539 E HN . 52233 1 481 . 1 . 1 125 125 GLU C C 13 176.866 0.2 . 1 . . . . . 539 E CO . 52233 1 482 . 1 . 1 125 125 GLU CA C 13 56.669 0.2 . 1 . . . . . 539 E CA . 52233 1 483 . 1 . 1 125 125 GLU CB C 13 30.515 0.3 . 1 . . . . . 539 E CB . 52233 1 484 . 1 . 1 125 125 GLU N N 15 120.289 . . 1 . . . . . 539 E N . 52233 1 485 . 1 . 1 126 126 GLU H H 1 8.361 . . 1 . . . . . 540 E HN . 52233 1 486 . 1 . 1 126 126 GLU C C 13 176.555 0.2 . 1 . . . . . 540 E CO . 52233 1 487 . 1 . 1 126 126 GLU CA C 13 56.713 0.2 . 1 . . . . . 540 E CA . 52233 1 488 . 1 . 1 126 126 GLU CB C 13 30.281 0.3 . 1 . . . . . 540 E CB . 52233 1 489 . 1 . 1 126 126 GLU N N 15 121.069 . . 1 . . . . . 540 E N . 52233 1 490 . 1 . 1 127 127 ASP H H 1 8.127 . . 1 . . . . . 541 D HN . 52233 1 491 . 1 . 1 127 127 ASP C C 13 176.168 0.2 . 1 . . . . . 541 D CO . 52233 1 492 . 1 . 1 127 127 ASP CA C 13 54.663 0.2 . 1 . . . . . 541 D CA . 52233 1 493 . 1 . 1 127 127 ASP CB C 13 41.360 0.3 . 1 . . . . . 541 D CB . 52233 1 494 . 1 . 1 127 127 ASP N N 15 121.132 . . 1 . . . . . 541 D N . 52233 1 495 . 1 . 1 128 128 ASP H H 1 8.070 . . 1 . . . . . 542 D HN . 52233 1 496 . 1 . 1 128 128 ASP C C 13 176.346 0.2 . 1 . . . . . 542 D CO . 52233 1 497 . 1 . 1 128 128 ASP CA C 13 54.501 0.2 . 1 . . . . . 542 D CA . 52233 1 498 . 1 . 1 128 128 ASP CB C 13 41.110 0.3 . 1 . . . . . 542 D CB . 52233 1 499 . 1 . 1 128 128 ASP N N 15 120.570 . . 1 . . . . . 542 D N . 52233 1 500 . 1 . 1 129 129 TRP H H 1 7.824 . . 1 . . . . . 543 W HN . 52233 1 501 . 1 . 1 129 129 TRP C C 13 176.734 0.2 . 1 . . . . . 543 W CO . 52233 1 502 . 1 . 1 129 129 TRP CA C 13 57.672 0.2 . 1 . . . . . 543 W CA . 52233 1 503 . 1 . 1 129 129 TRP CB C 13 29.670 0.3 . 1 . . . . . 543 W CB . 52233 1 504 . 1 . 1 129 129 TRP N N 15 121.593 . . 1 . . . . . 543 W N . 52233 1 505 . 1 . 1 130 130 GLU H H 1 7.937 . . 1 . . . . . 544 E HN . 52233 1 506 . 1 . 1 130 130 GLU C C 13 176.540 0.2 . 1 . . . . . 544 E CO . 52233 1 507 . 1 . 1 130 130 GLU CA C 13 57.056 0.2 . 1 . . . . . 544 E CA . 52233 1 508 . 1 . 1 130 130 GLU CB C 13 30.632 0.3 . 1 . . . . . 544 E CB . 52233 1 509 . 1 . 1 130 130 GLU N N 15 122.500 . . 1 . . . . . 544 E N . 52233 1 510 . 1 . 1 131 131 SER H H 1 7.971 . . 1 . . . . . 545 S HN . 52233 1 511 . 1 . 1 131 131 SER C C 13 175.026 0.2 . 1 . . . . . 545 S CO . 52233 1 512 . 1 . 1 131 131 SER CA C 13 58.907 0.2 . 1 . . . . . 545 S CA . 52233 1 513 . 1 . 1 131 131 SER CB C 13 63.872 0.3 . 1 . . . . . 545 S CB . 52233 1 514 . 1 . 1 131 131 SER N N 15 116.545 . . 1 . . . . . 545 S N . 52233 1 515 . 1 . 1 132 132 SER H H 1 8.161 . . 1 . . . . . 546 S HN . 52233 1 516 . 1 . 1 132 132 SER C C 13 174.891 0.2 . 1 . . . . . 546 S CO . 52233 1 517 . 1 . 1 132 132 SER CA C 13 58.802 0.2 . 1 . . . . . 546 S CA . 52233 1 518 . 1 . 1 132 132 SER CB C 13 63.942 0.3 . 1 . . . . . 546 S CB . 52233 1 519 . 1 . 1 132 132 SER N N 15 117.976 . . 1 . . . . . 546 S N . 52233 1 520 . 1 . 1 133 133 ALA H H 1 8.167 . . 1 . . . . . 547 A HN . 52233 1 521 . 1 . 1 133 133 ALA C C 13 178.137 0.2 . 1 . . . . . 547 A CO . 52233 1 522 . 1 . 1 133 133 ALA CA C 13 52.938 0.2 . 1 . . . . . 547 A CA . 52233 1 523 . 1 . 1 133 133 ALA CB C 13 19.364 0.3 . 1 . . . . . 547 A CB . 52233 1 524 . 1 . 1 133 133 ALA N N 15 126.200 . . 1 . . . . . 547 A N . 52233 1 525 . 1 . 1 134 134 ASP H H 1 8.094 . . 1 . . . . . 548 D HN . 52233 1 526 . 1 . 1 134 134 ASP C C 13 177.213 0.2 . 1 . . . . . 548 D CO . 52233 1 527 . 1 . 1 134 134 ASP CA C 13 55.096 0.2 . 1 . . . . . 548 D CA . 52233 1 528 . 1 . 1 134 134 ASP CB C 13 41.285 0.3 . 1 . . . . . 548 D CB . 52233 1 529 . 1 . 1 134 134 ASP N N 15 119.531 . . 1 . . . . . 548 D N . 52233 1 530 . 1 . 1 135 135 GLU H H 1 8.155 . . 1 . . . . . 549 E HN . 52233 1 531 . 1 . 1 135 135 GLU C C 13 177.350 0.2 . 1 . . . . . 549 E CO . 52233 1 532 . 1 . 1 135 135 GLU CA C 13 57.914 0.2 . 1 . . . . . 549 E CA . 52233 1 533 . 1 . 1 135 135 GLU CB C 13 30.174 0.3 . 1 . . . . . 549 E CB . 52233 1 534 . 1 . 1 135 135 GLU N N 15 122.025 . . 1 . . . . . 549 E N . 52233 1 535 . 1 . 1 136 136 ALA H H 1 8.068 . . 1 . . . . . 550 A HN . 52233 1 536 . 1 . 1 136 136 ALA C C 13 179.465 0.2 . 1 . . . . . 550 A CO . 52233 1 537 . 1 . 1 136 136 ALA CA C 13 54.106 0.2 . 1 . . . . . 550 A CA . 52233 1 538 . 1 . 1 136 136 ALA CB C 13 18.861 0.3 . 1 . . . . . 550 A CB . 52233 1 539 . 1 . 1 136 136 ALA N N 15 123.518 . . 1 . . . . . 550 A N . 52233 1 540 . 1 . 1 137 137 GLU H H 1 8.122 . . 1 . . . . . 551 E HN . 52233 1 541 . 1 . 1 137 137 GLU C C 13 177.990 0.2 . 1 . . . . . 551 E CO . 52233 1 542 . 1 . 1 137 137 GLU CA C 13 58.033 0.2 . 1 . . . . . 551 E CA . 52233 1 543 . 1 . 1 137 137 GLU CB C 13 29.956 0.3 . 1 . . . . . 551 E CB . 52233 1 544 . 1 . 1 137 137 GLU N N 15 119.380 . . 1 . . . . . 551 E N . 52233 1 545 . 1 . 1 138 138 SER H H 1 8.019 . . 1 . . . . . 552 S HN . 52233 1 546 . 1 . 1 138 138 SER C C 13 175.649 0.2 . 1 . . . . . 552 S CO . 52233 1 547 . 1 . 1 138 138 SER CA C 13 60.166 0.2 . 1 . . . . . 552 S CA . 52233 1 548 . 1 . 1 138 138 SER CB C 13 63.312 0.3 . 1 . . . . . 552 S CB . 52233 1 549 . 1 . 1 138 138 SER N N 15 115.967 . . 1 . . . . . 552 S N . 52233 1 550 . 1 . 1 139 139 LEU H H 1 7.826 . . 1 . . . . . 553 L HN . 52233 1 551 . 1 . 1 139 139 LEU C C 13 178.012 0.2 . 1 . . . . . 553 L CO . 52233 1 552 . 1 . 1 139 139 LEU CA C 13 56.370 0.2 . 1 . . . . . 553 L CA . 52233 1 553 . 1 . 1 139 139 LEU CB C 13 42.185 0.3 . 1 . . . . . 553 L CB . 52233 1 554 . 1 . 1 139 139 LEU N N 15 123.149 . . 1 . . . . . 553 L N . 52233 1 555 . 1 . 1 140 140 LYS H H 1 7.723 . . 1 . . . . . 554 K HN . 52233 1 556 . 1 . 1 140 140 LYS C C 13 177.638 0.2 . 1 . . . . . 554 K CO . 52233 1 557 . 1 . 1 140 140 LYS CA C 13 57.613 0.2 . 1 . . . . . 554 K CA . 52233 1 558 . 1 . 1 140 140 LYS CB C 13 32.718 0.3 . 1 . . . . . 554 K CB . 52233 1 559 . 1 . 1 140 140 LYS N N 15 120.587 . . 1 . . . . . 554 K N . 52233 1 560 . 1 . 1 141 141 LEU H H 1 7.822 . . 1 . . . . . 555 L HN . 52233 1 561 . 1 . 1 141 141 LEU N N 15 121.401 . . 1 . . . . . 555 L N . 52233 1 562 . 1 . 1 142 142 TRP H H 1 7.937 . . 1 . . . . . 556 W HN . 52233 1 563 . 1 . 1 142 142 TRP C C 13 176.714 0.2 . 1 . . . . . 556 W CO . 52233 1 564 . 1 . 1 142 142 TRP CA C 13 57.403 0.2 . 1 . . . . . 556 W CA . 52233 1 565 . 1 . 1 142 142 TRP CB C 13 30.166 0.3 . 1 . . . . . 556 W CB . 52233 1 566 . 1 . 1 142 142 TRP N N 15 121.125 . . 1 . . . . . 556 W N . 52233 1 567 . 1 . 1 143 143 ASN H H 1 7.966 . . 1 . . . . . 557 N HN . 52233 1 568 . 1 . 1 143 143 ASN C C 13 175.709 0.2 . 1 . . . . . 557 N CO . 52233 1 569 . 1 . 1 143 143 ASN N N 15 119.168 . . 1 . . . . . 557 N N . 52233 1 570 . 1 . 1 144 144 SER H H 1 7.778 . . 1 . . . . . 558 S HN . 52233 1 571 . 1 . 1 144 144 SER C C 13 174.648 0.2 . 1 . . . . . 558 S CO . 52233 1 572 . 1 . 1 144 144 SER N N 15 115.453 . . 1 . . . . . 558 S N . 52233 1 573 . 1 . 1 145 145 PHE H H 1 7.843 . . 1 . . . . . 559 F HN . 52233 1 574 . 1 . 1 145 145 PHE C C 13 176.056 0.2 . 1 . . . . . 559 F CO . 52233 1 575 . 1 . 1 145 145 PHE CA C 13 58.414 0.2 . 1 . . . . . 559 F CA . 52233 1 576 . 1 . 1 145 145 PHE CB C 13 39.484 0.3 . 1 . . . . . 559 F CB . 52233 1 577 . 1 . 1 145 145 PHE N N 15 121.279 . . 1 . . . . . 559 F N . 52233 1 578 . 1 . 1 146 146 CYS H H 1 7.888 . . 1 . . . . . 560 C HN . 52233 1 579 . 1 . 1 146 146 CYS C C 13 174.317 0.2 . 1 . . . . . 560 C CO . 52233 1 580 . 1 . 1 146 146 CYS CA C 13 59.012 0.2 . 1 . . . . . 560 C CA . 52233 1 581 . 1 . 1 146 146 CYS CB C 13 28.068 0.3 . 1 . . . . . 560 C CB . 52233 1 582 . 1 . 1 146 146 CYS N N 15 119.630 . . 1 . . . . . 560 C N . 52233 1 583 . 1 . 1 148 148 SER H H 1 8.092 . . 1 . . . . . 562 S HN . 52233 1 584 . 1 . 1 148 148 SER C C 13 174.371 0.2 . 1 . . . . . 562 S CO . 52233 1 585 . 1 . 1 148 148 SER CA C 13 58.799 0.2 . 1 . . . . . 562 S CA . 52233 1 586 . 1 . 1 148 148 SER CB C 13 63.907 0.3 . 1 . . . . . 562 S CB . 52233 1 587 . 1 . 1 148 148 SER N N 15 116.472 . . 1 . . . . . 562 S N . 52233 1 588 . 1 . 1 149 149 ASP H H 1 8.143 . . 1 . . . . . 563 D HN . 52233 1 589 . 1 . 1 149 149 ASP C C 13 175.741 0.2 . 1 . . . . . 563 D CO . 52233 1 590 . 1 . 1 149 149 ASP CA C 13 54.445 0.2 . 1 . . . . . 563 D CA . 52233 1 591 . 1 . 1 149 149 ASP CB C 13 41.141 0.3 . 1 . . . . . 563 D CB . 52233 1 592 . 1 . 1 149 149 ASP N N 15 121.473 . . 1 . . . . . 563 D N . 52233 1 593 . 1 . 1 150 150 ASP H H 1 7.813 . . 1 . . . . . 564 D HN . 52233 1 594 . 1 . 1 150 150 ASP C C 13 174.990 0.2 . 1 . . . . . 564 D CO . 52233 1 595 . 1 . 1 150 150 ASP CA C 13 52.351 0.2 . 1 . . . . . 564 D CA . 52233 1 596 . 1 . 1 150 150 ASP CB C 13 41.534 0.3 . 1 . . . . . 564 D CB . 52233 1 597 . 1 . 1 150 150 ASP N N 15 121.082 . . 1 . . . . . 564 D N . 52233 1 598 . 1 . 1 152 152 TYR H H 1 8.104 . . 1 . . . . . 566 Y HN . 52233 1 599 . 1 . 1 152 152 TYR N N 15 118.770 . . 1 . . . . . 566 Y N . 52233 1 600 . 1 . 1 153 153 ASN H H 1 7.533 . . 1 . . . . . 567 N HN . 52233 1 601 . 1 . 1 153 153 ASN C C 13 179.863 0.2 . 1 . . . . . 567 N CO . 52233 1 602 . 1 . 1 153 153 ASN N N 15 122.115 . . 1 . . . . . 567 N N . 52233 1 603 . 1 . 1 155 155 LEU H H 1 7.894 . . 1 . . . . . 569 L HN . 52233 1 604 . 1 . 1 155 155 LEU C C 13 177.660 0.2 . 1 . . . . . 569 L CO . 52233 1 605 . 1 . 1 155 155 LEU CA C 13 55.795 0.2 . 1 . . . . . 569 L CA . 52233 1 606 . 1 . 1 155 155 LEU N N 15 118.623 . . 1 . . . . . 569 L N . 52233 1 607 . 1 . 1 156 156 ASN H H 1 7.740 . . 1 . . . . . 570 N HN . 52233 1 608 . 1 . 1 156 156 ASN C C 13 174.917 0.2 . 1 . . . . . 570 N CO . 52233 1 609 . 1 . 1 156 156 ASN CA C 13 53.243 0.2 . 1 . . . . . 570 N CA . 52233 1 610 . 1 . 1 156 156 ASN CB C 13 38.837 0.3 . 1 . . . . . 570 N CB . 52233 1 611 . 1 . 1 156 156 ASN N N 15 117.032 . . 1 . . . . . 570 N N . 52233 1 612 . 1 . 1 157 157 PHE H H 1 7.644 . . 1 . . . . . 571 F HN . 52233 1 613 . 1 . 1 157 157 PHE C C 13 175.311 0.2 . 1 . . . . . 571 F CO . 52233 1 614 . 1 . 1 157 157 PHE CA C 13 57.928 0.2 . 1 . . . . . 571 F CA . 52233 1 615 . 1 . 1 157 157 PHE CB C 13 39.781 0.3 . 1 . . . . . 571 F CB . 52233 1 616 . 1 . 1 157 157 PHE N N 15 120.356 . . 1 . . . . . 571 F N . 52233 1 617 . 1 . 1 158 158 LYS H H 1 7.852 . . 1 . . . . . 572 K HN . 52233 1 618 . 1 . 1 158 158 LYS C C 13 175.353 0.2 . 1 . . . . . 572 K CO . 52233 1 619 . 1 . 1 158 158 LYS CA C 13 55.626 0.2 . 1 . . . . . 572 K CA . 52233 1 620 . 1 . 1 158 158 LYS CB C 13 33.434 0.3 . 1 . . . . . 572 K CB . 52233 1 621 . 1 . 1 158 158 LYS N N 15 123.677 . . 1 . . . . . 572 K N . 52233 1 622 . 1 . 1 159 159 ALA H H 1 8.032 . . 1 . . . . . 573 A HN . 52233 1 623 . 1 . 1 159 159 ALA C C 13 175.732 0.2 . 1 . . . . . 573 A CO . 52233 1 624 . 1 . 1 159 159 ALA CA C 13 50.853 0.2 . 1 . . . . . 573 A CA . 52233 1 625 . 1 . 1 159 159 ALA CB C 13 18.220 0.3 . 1 . . . . . 573 A CB . 52233 1 626 . 1 . 1 159 159 ALA N N 15 126.847 . . 1 . . . . . 573 A N . 52233 1 627 . 1 . 1 161 161 PHE H H 1 7.984 . . 1 . . . . . 575 F HN . 52233 1 628 . 1 . 1 161 161 PHE C C 13 175.636 0.2 . 1 . . . . . 575 F CO . 52233 1 629 . 1 . 1 161 161 PHE CA C 13 58.033 0.2 . 1 . . . . . 575 F CA . 52233 1 630 . 1 . 1 161 161 PHE CB C 13 39.536 0.3 . 1 . . . . . 575 F CB . 52233 1 631 . 1 . 1 161 161 PHE N N 15 119.622 . . 1 . . . . . 575 F N . 52233 1 632 . 1 . 1 162 162 GLN H H 1 8.037 . . 1 . . . . . 576 Q HN . 52233 1 633 . 1 . 1 162 162 GLN C C 13 175.764 0.2 . 1 . . . . . 576 Q CO . 52233 1 634 . 1 . 1 162 162 GLN CA C 13 55.855 0.2 . 1 . . . . . 576 Q CA . 52233 1 635 . 1 . 1 162 162 GLN CB C 13 30.003 0.3 . 1 . . . . . 576 Q CB . 52233 1 636 . 1 . 1 162 162 GLN N N 15 122.347 . . 1 . . . . . 576 Q N . 52233 1 637 . 1 . 1 163 163 THR H H 1 8.086 . . 1 . . . . . 577 T HN . 52233 1 638 . 1 . 1 163 163 THR C C 13 174.741 0.2 . 1 . . . . . 577 T CO . 52233 1 639 . 1 . 1 163 163 THR CA C 13 62.043 0.2 . 1 . . . . . 577 T CA . 52233 1 640 . 1 . 1 163 163 THR CB C 13 70.201 0.3 . 1 . . . . . 577 T CB . 52233 1 641 . 1 . 1 163 163 THR N N 15 115.716 . . 1 . . . . . 577 T N . 52233 1 642 . 1 . 1 164 164 SER H H 1 8.275 . . 1 . . . . . 578 S HN . 52233 1 643 . 1 . 1 164 164 SER C C 13 175.231 0.2 . 1 . . . . . 578 S CO . 52233 1 644 . 1 . 1 164 164 SER CA C 13 58.942 0.2 . 1 . . . . . 578 S CA . 52233 1 645 . 1 . 1 164 164 SER CB C 13 64.047 0.3 . 1 . . . . . 578 S CB . 52233 1 646 . 1 . 1 164 164 SER N N 15 117.979 . . 1 . . . . . 578 S N . 52233 1 647 . 1 . 1 165 165 GLY H H 1 8.338 . . 1 . . . . . 579 G HN . 52233 1 648 . 1 . 1 165 165 GLY C C 13 174.576 0.2 . 1 . . . . . 579 G CO . 52233 1 649 . 1 . 1 165 165 GLY CA C 13 45.512 0.2 . 1 . . . . . 579 G CA . 52233 1 650 . 1 . 1 165 165 GLY N N 15 110.969 . . 1 . . . . . 579 G N . 52233 1 651 . 1 . 1 166 166 GLU H H 1 8.169 . . 1 . . . . . 580 E HN . 52233 1 652 . 1 . 1 166 166 GLU C C 13 176.725 0.2 . 1 . . . . . 580 E CO . 52233 1 653 . 1 . 1 166 166 GLU CA C 13 57.019 0.2 . 1 . . . . . 580 E CA . 52233 1 654 . 1 . 1 166 166 GLU CB C 13 30.550 0.3 . 1 . . . . . 580 E CB . 52233 1 655 . 1 . 1 166 166 GLU N N 15 120.419 . . 1 . . . . . 580 E N . 52233 1 656 . 1 . 1 167 167 ASN H H 1 8.359 . . 1 . . . . . 581 N HN . 52233 1 657 . 1 . 1 167 167 ASN C C 13 175.547 0.2 . 1 . . . . . 581 N CO . 52233 1 658 . 1 . 1 167 167 ASN CA C 13 53.732 0.2 . 1 . . . . . 581 N CA . 52233 1 659 . 1 . 1 167 167 ASN CB C 13 39.082 0.3 . 1 . . . . . 581 N CB . 52233 1 660 . 1 . 1 167 167 ASN N N 15 118.864 . . 1 . . . . . 581 N N . 52233 1 661 . 1 . 1 168 168 GLU H H 1 8.166 . . 1 . . . . . 582 E HN . 52233 1 662 . 1 . 1 168 168 GLU C C 13 176.874 0.2 . 1 . . . . . 582 E CO . 52233 1 663 . 1 . 1 168 168 GLU N N 15 121.086 . . 1 . . . . . 582 E N . 52233 1 664 . 1 . 1 169 169 LYS H H 1 8.161 . . 1 . . . . . 583 K HN . 52233 1 665 . 1 . 1 169 169 LYS C C 13 177.476 0.2 . 1 . . . . . 583 K CO . 52233 1 666 . 1 . 1 169 169 LYS CA C 13 57.571 0.2 . 1 . . . . . 583 K CA . 52233 1 667 . 1 . 1 169 169 LYS CB C 13 32.920 0.3 . 1 . . . . . 583 K CB . 52233 1 668 . 1 . 1 169 169 LYS N N 15 121.688 . . 1 . . . . . 583 K N . 52233 1 669 . 1 . 1 170 170 GLY H H 1 8.215 . . 1 . . . . . 584 G HN . 52233 1 670 . 1 . 1 170 170 GLY C C 13 174.254 0.2 . 1 . . . . . 584 G CO . 52233 1 671 . 1 . 1 170 170 GLY CA C 13 45.392 0.2 . 1 . . . . . 584 G CA . 52233 1 672 . 1 . 1 170 170 GLY N N 15 109.443 . . 1 . . . . . 584 G N . 52233 1 673 . 1 . 1 171 171 CYS H H 1 8.025 . . 1 . . . . . 585 C HN . 52233 1 674 . 1 . 1 171 171 CYS C C 13 175.163 0.2 . 1 . . . . . 585 C CO . 52233 1 675 . 1 . 1 171 171 CYS CA C 13 58.907 0.2 . 1 . . . . . 585 C CA . 52233 1 676 . 1 . 1 171 171 CYS CB C 13 28.452 0.3 . 1 . . . . . 585 C CB . 52233 1 677 . 1 . 1 171 171 CYS N N 15 118.961 . . 1 . . . . . 585 C N . 52233 1 678 . 1 . 1 172 172 ARG H H 1 8.367 . . 1 . . . . . 586 R HN . 52233 1 679 . 1 . 1 172 172 ARG C C 13 176.258 0.2 . 1 . . . . . 586 R CO . 52233 1 680 . 1 . 1 172 172 ARG CA C 13 56.427 0.2 . 1 . . . . . 586 R CA . 52233 1 681 . 1 . 1 172 172 ARG CB C 13 30.003 0.3 . 1 . . . . . 586 R CB . 52233 1 682 . 1 . 1 172 172 ARG N N 15 123.784 . . 1 . . . . . 586 R N . 52233 1 683 . 1 . 1 173 173 ASP H H 1 8.177 . . 1 . . . . . 587 D H . 52233 1 684 . 1 . 1 173 173 ASP C C 13 177.656 0.2 . 1 . . . . . 587 D CO . 52233 1 685 . 1 . 1 173 173 ASP CA C 13 55.055 0.2 . 1 . . . . . 587 D CA . 52233 1 686 . 1 . 1 173 173 ASP CB C 13 41.054 0.3 . 1 . . . . . 587 D CB . 52233 1 687 . 1 . 1 173 173 ASP N N 15 121.489 . . 1 . . . . . 587 D N . 52233 1 688 . 1 . 1 175 175 LYS H H 1 8.204 . . 1 . . . . . 589 K HN . 52233 1 689 . 1 . 1 175 175 LYS C C 13 176.815 0.2 . 1 . . . . . 589 K CO . 52233 1 690 . 1 . 1 175 175 LYS CA C 13 56.370 0.2 . 1 . . . . . 589 K CA . 52233 1 691 . 1 . 1 175 175 LYS CB C 13 33.091 0.3 . 1 . . . . . 589 K CB . 52233 1 692 . 1 . 1 175 175 LYS N N 15 122.868 . . 1 . . . . . 589 K N . 52233 1 693 . 1 . 1 176 176 THR H H 1 8.073 . . 1 . . . . . 590 T HN . 52233 1 694 . 1 . 1 176 176 THR C C 13 179.084 0.2 . 1 . . . . . 590 T CO . 52233 1 695 . 1 . 1 176 176 THR CA C 13 60.480 0.2 . 1 . . . . . 590 T CA . 52233 1 696 . 1 . 1 176 176 THR CB C 13 69.676 0.3 . 1 . . . . . 590 T CB . 52233 1 697 . 1 . 1 176 176 THR N N 15 118.192 . . 1 . . . . . 590 T N . 52233 1 698 . 1 . 1 178 178 SER H H 1 8.294 . . 1 . . . . . 592 S HN . 52233 1 699 . 1 . 1 178 178 SER C C 13 174.936 0.2 . 1 . . . . . 592 S CO . 52233 1 700 . 1 . 1 178 178 SER CA C 13 58.872 0.2 . 1 . . . . . 592 S CA . 52233 1 701 . 1 . 1 178 178 SER CB C 13 63.802 0.3 . 1 . . . . . 592 S CB . 52233 1 702 . 1 . 1 178 178 SER N N 15 116.359 . . 1 . . . . . 592 S N . 52233 1 703 . 1 . 1 179 179 GLU H H 1 8.286 . . 1 . . . . . 593 E HN . 52233 1 704 . 1 . 1 179 179 GLU C C 13 176.641 0.2 . 1 . . . . . 593 E CO . 52233 1 705 . 1 . 1 179 179 GLU CA C 13 56.942 0.2 . 1 . . . . . 593 E CA . 52233 1 706 . 1 . 1 179 179 GLU CB C 13 30.574 0.3 . 1 . . . . . 593 E CB . 52233 1 707 . 1 . 1 179 179 GLU N N 15 122.550 . . 1 . . . . . 593 E N . 52233 1 708 . 1 . 1 180 180 SER H H 1 8.139 . . 1 . . . . . 594 S HN . 52233 1 709 . 1 . 1 180 180 SER C C 13 174.455 0.2 . 1 . . . . . 594 S CO . 52233 1 710 . 1 . 1 180 180 SER CA C 13 58.872 0.2 . 1 . . . . . 594 S CA . 52233 1 711 . 1 . 1 180 180 SER CB C 13 63.977 0.3 . 1 . . . . . 594 S CB . 52233 1 712 . 1 . 1 180 180 SER N N 15 116.852 . . 1 . . . . . 594 S N . 52233 1 713 . 1 . 1 181 181 ILE H H 1 7.987 . . 1 . . . . . 595 I HN . 52233 1 714 . 1 . 1 181 181 ILE C C 13 176.458 0.2 . 1 . . . . . 595 I CO . 52233 1 715 . 1 . 1 181 181 ILE CA C 13 61.403 0.2 . 1 . . . . . 595 I CA . 52233 1 716 . 1 . 1 181 181 ILE CB C 13 38.696 0.3 . 1 . . . . . 595 I CB . 52233 1 717 . 1 . 1 181 181 ILE N N 15 123.127 . . 1 . . . . . 595 I N . 52233 1 718 . 1 . 1 182 182 VAL H H 1 8.015 . . 1 . . . . . 596 V HN . 52233 1 719 . 1 . 1 182 182 VAL C C 13 175.814 0.2 . 1 . . . . . 596 V CO . 52233 1 720 . 1 . 1 182 182 VAL CA C 13 62.375 0.2 . 1 . . . . . 596 V CA . 52233 1 721 . 1 . 1 182 182 VAL CB C 13 32.805 0.3 . 1 . . . . . 596 V CB . 52233 1 722 . 1 . 1 182 182 VAL N N 15 125.164 . . 1 . . . . . 596 V N . 52233 1 723 . 1 . 1 183 183 ALA H H 1 8.216 . . 1 . . . . . 597 A HN . 52233 1 724 . 1 . 1 183 183 ALA C C 13 177.808 0.2 . 1 . . . . . 597 A CO . 52233 1 725 . 1 . 1 183 183 ALA CA C 13 52.527 0.2 . 1 . . . . . 597 A CA . 52233 1 726 . 1 . 1 183 183 ALA CB C 13 19.536 0.3 . 1 . . . . . 597 A CB . 52233 1 727 . 1 . 1 183 183 ALA N N 15 128.544 . . 1 . . . . . 597 A N . 52233 1 728 . 1 . 1 184 184 ILE H H 1 8.046 . . 1 . . . . . 598 I HN . 52233 1 729 . 1 . 1 184 184 ILE C C 13 176.625 0.2 . 1 . . . . . 598 I CO . 52233 1 730 . 1 . 1 184 184 ILE CA C 13 61.494 0.2 . 1 . . . . . 598 I CA . 52233 1 731 . 1 . 1 184 184 ILE CB C 13 38.942 0.3 . 1 . . . . . 598 I CB . 52233 1 732 . 1 . 1 184 184 ILE N N 15 120.929 . . 1 . . . . . 598 I N . 52233 1 733 . 1 . 1 185 185 SER H H 1 8.208 . . 1 . . . . . 599 S HN . 52233 1 734 . 1 . 1 185 185 SER C C 13 174.730 0.2 . 1 . . . . . 599 S CO . 52233 1 735 . 1 . 1 185 185 SER CA C 13 58.592 0.2 . 1 . . . . . 599 S CA . 52233 1 736 . 1 . 1 185 185 SER CB C 13 64.012 0.3 . 1 . . . . . 599 S CB . 52233 1 737 . 1 . 1 185 185 SER N N 15 119.740 . . 1 . . . . . 599 S N . 52233 1 738 . 1 . 1 186 186 GLU H H 1 8.320 . . 1 . . . . . 600 E HN . 52233 1 739 . 1 . 1 186 186 GLU C C 13 176.451 0.2 . 1 . . . . . 600 E CO . 52233 1 740 . 1 . 1 186 186 GLU CA C 13 56.770 0.2 . 1 . . . . . 600 E CA . 52233 1 741 . 1 . 1 186 186 GLU CB C 13 30.403 0.3 . 1 . . . . . 600 E CB . 52233 1 742 . 1 . 1 186 186 GLU N N 15 123.129 . . 1 . . . . . 600 E N . 52233 1 743 . 1 . 1 187 187 CYS H H 1 8.201 . . 1 . . . . . 601 C HN . 52233 1 744 . 1 . 1 187 187 CYS C C 13 175.290 0.2 . 1 . . . . . 601 C CO . 52233 1 745 . 1 . 1 187 187 CYS N N 15 120.274 . . 1 . . . . . 601 C N . 52233 1 746 . 1 . 1 188 188 HIS H H 1 8.198 . . 1 . . . . . 602 H HN . 52233 1 747 . 1 . 1 188 188 HIS C C 13 175.297 0.2 . 1 . . . . . 602 H CO . 52233 1 748 . 1 . 1 188 188 HIS N N 15 118.071 . . 1 . . . . . 602 H N . 52233 1 749 . 1 . 1 189 189 THR H H 1 7.937 . . 1 . . . . . 603 T HN . 52233 1 750 . 1 . 1 189 189 THR C C 13 174.676 0.2 . 1 . . . . . 603 T CO . 52233 1 751 . 1 . 1 189 189 THR CA C 13 62.584 0.2 . 1 . . . . . 603 T CA . 52233 1 752 . 1 . 1 189 189 THR CB C 13 69.930 0.3 . 1 . . . . . 603 T CB . 52233 1 753 . 1 . 1 189 189 THR N N 15 115.930 . . 1 . . . . . 603 T N . 52233 1 754 . 1 . 1 190 190 LEU H H 1 8.095 . . 1 . . . . . 604 L HN . 52233 1 755 . 1 . 1 190 190 LEU C C 13 177.708 0.2 . 1 . . . . . 604 L CO . 52233 1 756 . 1 . 1 190 190 LEU CA C 13 55.741 0.2 . 1 . . . . . 604 L CA . 52233 1 757 . 1 . 1 190 190 LEU CB C 13 42.414 0.3 . 1 . . . . . 604 L CB . 52233 1 758 . 1 . 1 190 190 LEU N N 15 124.373 . . 1 . . . . . 604 L N . 52233 1 759 . 1 . 1 191 191 LEU H H 1 8.020 . . 1 . . . . . 605 L HN . 52233 1 760 . 1 . 1 191 191 LEU C C 13 177.744 0.2 . 1 . . . . . 605 L CO . 52233 1 761 . 1 . 1 191 191 LEU CA C 13 55.741 0.2 . 1 . . . . . 605 L CA . 52233 1 762 . 1 . 1 191 191 LEU CB C 13 42.300 0.3 . 1 . . . . . 605 L CB . 52233 1 763 . 1 . 1 191 191 LEU N N 15 122.433 . . 1 . . . . . 605 L N . 52233 1 764 . 1 . 1 192 192 SER H H 1 8.035 . . 1 . . . . . 606 S HN . 52233 1 765 . 1 . 1 192 192 SER C C 13 174.718 0.2 . 1 . . . . . 606 S CO . 52233 1 766 . 1 . 1 192 192 SER CA C 13 58.863 0.2 . 1 . . . . . 606 S CA . 52233 1 767 . 1 . 1 192 192 SER CB C 13 63.986 0.3 . 1 . . . . . 606 S CB . 52233 1 768 . 1 . 1 192 192 SER N N 15 115.984 . . 1 . . . . . 606 S N . 52233 1 769 . 1 . 1 193 193 CYS H H 1 8.257 . . 1 . . . . . 607 C HN . 52233 1 770 . 1 . 1 193 193 CYS C C 13 174.709 0.2 . 1 . . . . . 607 C CO . 52233 1 771 . 1 . 1 193 193 CYS CA C 13 56.427 0.2 . 1 . . . . . 607 C CA . 52233 1 772 . 1 . 1 193 193 CYS CB C 13 30.632 0.3 . 1 . . . . . 607 C CB . 52233 1 773 . 1 . 1 193 193 CYS N N 15 122.011 . . 1 . . . . . 607 C N . 52233 1 774 . 1 . 1 194 194 LYS H H 1 8.136 . . 1 . . . . . 608 K HN . 52233 1 775 . 1 . 1 194 194 LYS C C 13 176.699 0.2 . 1 . . . . . 608 K CO . 52233 1 776 . 1 . 1 194 194 LYS CA C 13 56.484 0.2 . 1 . . . . . 608 K CA . 52233 1 777 . 1 . 1 194 194 LYS CB C 13 33.148 0.3 . 1 . . . . . 608 K CB . 52233 1 778 . 1 . 1 194 194 LYS N N 15 123.761 . . 1 . . . . . 608 K N . 52233 1 779 . 1 . 1 195 195 VAL H H 1 7.990 . . 1 . . . . . 609 V HN . 52233 1 780 . 1 . 1 195 195 VAL C C 13 176.148 0.2 . 1 . . . . . 609 V CO . 52233 1 781 . 1 . 1 195 195 VAL CA C 13 62.661 0.2 . 1 . . . . . 609 V CA . 52233 1 782 . 1 . 1 195 195 VAL CB C 13 32.862 0.3 . 1 . . . . . 609 V CB . 52233 1 783 . 1 . 1 195 195 VAL N N 15 122.100 . . 1 . . . . . 609 V N . 52233 1 784 . 1 . 1 196 196 GLN H H 1 8.311 . . 1 . . . . . 610 Q HN . 52233 1 785 . 1 . 1 196 196 GLN C C 13 175.732 0.2 . 1 . . . . . 610 Q CO . 52233 1 786 . 1 . 1 196 196 GLN CA C 13 55.855 0.2 . 1 . . . . . 610 Q CA . 52233 1 787 . 1 . 1 196 196 GLN CB C 13 29.545 0.3 . 1 . . . . . 610 Q CB . 52233 1 788 . 1 . 1 196 196 GLN N N 15 124.819 . . 1 . . . . . 610 Q N . 52233 1 789 . 1 . 1 197 197 LEU H H 1 8.203 . . 1 . . . . . 611 L HN . 52233 1 790 . 1 . 1 197 197 LEU C C 13 177.339 0.2 . 1 . . . . . 611 L CO . 52233 1 791 . 1 . 1 197 197 LEU CA C 13 55.626 0.2 . 1 . . . . . 611 L CA . 52233 1 792 . 1 . 1 197 197 LEU CB C 13 42.414 0.3 . 1 . . . . . 611 L CB . 52233 1 793 . 1 . 1 197 197 LEU N N 15 124.615 . . 1 . . . . . 611 L N . 52233 1 794 . 1 . 1 198 198 LEU H H 1 8.131 . . 1 . . . . . 612 L HN . 52233 1 795 . 1 . 1 198 198 LEU C C 13 176.930 0.2 . 1 . . . . . 612 L CO . 52233 1 796 . 1 . 1 198 198 LEU CA C 13 55.169 0.2 . 1 . . . . . 612 L CA . 52233 1 797 . 1 . 1 198 198 LEU CB C 13 42.528 0.3 . 1 . . . . . 612 L CB . 52233 1 798 . 1 . 1 198 198 LEU N N 15 123.322 . . 1 . . . . . 612 L N . 52233 1 799 . 1 . 1 199 199 GLY H H 1 7.753 . . 1 . . . . . 613 G HN . 52233 1 800 . 1 . 1 199 199 GLY C C 13 179.122 0.2 . 1 . . . . . 613 G CO . 52233 1 801 . 1 . 1 199 199 GLY CA C 13 46.231 0.2 . 1 . . . . . 613 G CA . 52233 1 802 . 1 . 1 199 199 GLY N N 15 115.603 . . 1 . . . . . 613 G N . 52233 1 stop_ save_