data_50758 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50758 _Entry.Title ; Backbone resonance assignment of C-terminal intracellular domain of Tir effector from Escherichia coli O127:H6 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-02-10 _Entry.Accession_date 2021-02-10 _Entry.Last_release_date 2021-02-10 _Entry.Original_release_date 2021-02-10 _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 'Backbone Assignment of C-terminal region of Tir' _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 Marta Vieira . F.M. . 0000-0002-7719-9340 50758 2 Tiago Cordeiro . N. . 0000-0003-2663-3220 50758 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Instituto de Tecnologia Quimica e Biologica Antonio Xavier' . 50758 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50758 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 494 50758 '15N chemical shifts' 160 50758 '1H chemical shifts' 160 50758 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 . . 2024-02-14 . original BMRB . 50758 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50759 'Phosphorylated C-terminal intracellular domain of Tir effector' 50758 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50758 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38351154 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The pathogen-encoded signalling receptor Tir exploits host-like intrinsic disorder for infection ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Commun. Biol.' _Citation.Journal_name_full 'Communications biology' _Citation.Journal_volume 7 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2399-3642 _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 179 _Citation.Page_last 179 _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 Marta Vieira . . . . 50758 1 2 Guillem Hernandez G. . . . 50758 1 3 Qiyun Zhong Q. . . . 50758 1 4 Miguel Arbesu M. . . . 50758 1 5 Tiago Veloso T. . . . 50758 1 6 Tiago Gomes T. . . . 50758 1 7 Maria Martins M. L. . . 50758 1 8 Hugo Monteiro H. . . . 50758 1 9 Carlos Frazao C. . . . 50758 1 10 Gad Frankel G. . . . 50758 1 11 Andreas Zanzoni A. . . . 50758 1 12 Tiago Cordeiro T. N. . . 50758 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'bacterial effectors' 50758 1 'host-pathogen interactions' 50758 1 'intrinsically disordered proteins' 50758 1 'molecular mimicry' 50758 1 multivalency 50758 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50758 _Assembly.ID 1 _Assembly.Name C-Tir _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 no _Assembly.Molecules_in_chemical_exchange yes _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 Tir 1 $entity_1 . . yes 'intrinsically disordered' yes yes . . . 50758 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ; Multifunctional protein that is required for efficient pedestal formation in host epithelial cells during infection. The extracellular region acts as a receptor for bacterial intimin, allowing the bacterium to attach tightly to the host-cell surface. Simultaneously, the intracellular region initiates a signaling cascade in the host cell, which leads to actin polymerization and formation of actin pedestals at the sites of bacterial adhesion. In strain E2348/69, acts mainly via the host adaptor proteins NCK1 and NCK2. Once clustered and phosphorylated at Tyr-474, Tir binds to NCK proteins, which in turn bind and activate host WASL/N-WASP, leading to actin polymerization. Can also trigger an inefficient, NCK-independent pedestal formation. This pathway involves phosphorylation of Tyr-454 and probably a putative host adaptor. Acts also via direct binding to the host cytoskeletal protein alpha-actinin in a NCK- and phosphotyrosine-independent manner. ; 50758 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50758 _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 ; GPRRNQPAEQTTTTTTHTVV QQQTGGNTPAQGGTDATRAE DASLNRRDSQGSVASTHWSD SSSEVVNPYAEVGGARNSLS AHQPEEHIYDEVAADPGYSV IQNFSGSGPVTGRLIGTPGQ GIQSTYALLANSGGLRLGMG GLTSGGESAVSSVNAAPTPG PVRFVWSHPQFEK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residues 388 to 550 of full length Translocated intimin receptor from EPEC' _Entity.Polymer_author_seq_details ; N-terminal residues GP from cleavage with HRV-3C protease C-Terminal Streptag (residues WSHPQFEK) ; _Entity.Ambiguous_conformational_states yes _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 173 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP B7UM99 . TIR_ECO27 . . . . . . . . . . . . . . 50758 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; Multifunctional protein that is required for efficient pedestal formation in host epithelial cells during infection. The extracellular region acts as a receptor for bacterial intimin, allowing the bacterium to attach tightly to the host-cell surface. Simultaneously, the intracellular region initiates a signaling cascade in the host cell, which leads to actin polymerization and formation of actin pedestals at the sites of bacterial adhesion. In strain E2348/69, acts mainly via the host adaptor proteins NCK1 and NCK2. Once clustered and phosphorylated at Tyr-474, Tir binds to NCK proteins, which in turn bind and activate host WASL/N-WASP, leading to actin polymerization. Can also trigger an inefficient, NCK-independent pedestal formation. This pathway involves phosphorylation of Tyr-454 and probably a putative host adaptor. Acts also via direct binding to the host cytoskeletal protein alpha-actinin in a NCK- and phosphotyrosine-independent manner. ; 50758 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 1 386 GLY . 50758 1 2 387 PRO . 50758 1 3 388 ARG . 50758 1 4 389 ARG . 50758 1 5 390 ASN . 50758 1 6 391 GLN . 50758 1 7 392 PRO . 50758 1 8 393 ALA . 50758 1 9 394 GLU . 50758 1 10 395 GLN . 50758 1 11 396 THR . 50758 1 12 397 THR . 50758 1 13 398 THR . 50758 1 14 399 THR . 50758 1 15 400 THR . 50758 1 16 401 THR . 50758 1 17 402 HIS . 50758 1 18 403 THR . 50758 1 19 404 VAL . 50758 1 20 405 VAL . 50758 1 21 406 GLN . 50758 1 22 407 GLN . 50758 1 23 408 GLN . 50758 1 24 409 THR . 50758 1 25 410 GLY . 50758 1 26 411 GLY . 50758 1 27 412 ASN . 50758 1 28 413 THR . 50758 1 29 414 PRO . 50758 1 30 415 ALA . 50758 1 31 416 GLN . 50758 1 32 417 GLY . 50758 1 33 418 GLY . 50758 1 34 419 THR . 50758 1 35 420 ASP . 50758 1 36 421 ALA . 50758 1 37 422 THR . 50758 1 38 423 ARG . 50758 1 39 424 ALA . 50758 1 40 425 GLU . 50758 1 41 426 ASP . 50758 1 42 427 ALA . 50758 1 43 428 SER . 50758 1 44 429 LEU . 50758 1 45 430 ASN . 50758 1 46 431 ARG . 50758 1 47 432 ARG . 50758 1 48 433 ASP . 50758 1 49 434 SER . 50758 1 50 435 GLN . 50758 1 51 436 GLY . 50758 1 52 437 SER . 50758 1 53 438 VAL . 50758 1 54 439 ALA . 50758 1 55 440 SER . 50758 1 56 441 THR . 50758 1 57 442 HIS . 50758 1 58 443 TRP . 50758 1 59 444 SER . 50758 1 60 445 ASP . 50758 1 61 446 SER . 50758 1 62 447 SER . 50758 1 63 448 SER . 50758 1 64 449 GLU . 50758 1 65 450 VAL . 50758 1 66 451 VAL . 50758 1 67 452 ASN . 50758 1 68 453 PRO . 50758 1 69 454 TYR . 50758 1 70 455 ALA . 50758 1 71 456 GLU . 50758 1 72 457 VAL . 50758 1 73 458 GLY . 50758 1 74 459 GLY . 50758 1 75 460 ALA . 50758 1 76 461 ARG . 50758 1 77 462 ASN . 50758 1 78 463 SER . 50758 1 79 464 LEU . 50758 1 80 465 SER . 50758 1 81 466 ALA . 50758 1 82 467 HIS . 50758 1 83 468 GLN . 50758 1 84 469 PRO . 50758 1 85 470 GLU . 50758 1 86 471 GLU . 50758 1 87 472 HIS . 50758 1 88 473 ILE . 50758 1 89 474 TYR . 50758 1 90 475 ASP . 50758 1 91 476 GLU . 50758 1 92 477 VAL . 50758 1 93 478 ALA . 50758 1 94 479 ALA . 50758 1 95 480 ASP . 50758 1 96 481 PRO . 50758 1 97 482 GLY . 50758 1 98 483 TYR . 50758 1 99 484 SER . 50758 1 100 485 VAL . 50758 1 101 486 ILE . 50758 1 102 487 GLN . 50758 1 103 488 ASN . 50758 1 104 489 PHE . 50758 1 105 490 SER . 50758 1 106 491 GLY . 50758 1 107 492 SER . 50758 1 108 493 GLY . 50758 1 109 494 PRO . 50758 1 110 495 VAL . 50758 1 111 496 THR . 50758 1 112 497 GLY . 50758 1 113 498 ARG . 50758 1 114 499 LEU . 50758 1 115 500 ILE . 50758 1 116 501 GLY . 50758 1 117 502 THR . 50758 1 118 503 PRO . 50758 1 119 504 GLY . 50758 1 120 505 GLN . 50758 1 121 506 GLY . 50758 1 122 507 ILE . 50758 1 123 508 GLN . 50758 1 124 509 SER . 50758 1 125 510 THR . 50758 1 126 511 TYR . 50758 1 127 512 ALA . 50758 1 128 513 LEU . 50758 1 129 514 LEU . 50758 1 130 515 ALA . 50758 1 131 516 ASN . 50758 1 132 517 SER . 50758 1 133 518 GLY . 50758 1 134 519 GLY . 50758 1 135 520 LEU . 50758 1 136 521 ARG . 50758 1 137 522 LEU . 50758 1 138 523 GLY . 50758 1 139 524 MET . 50758 1 140 525 GLY . 50758 1 141 526 GLY . 50758 1 142 527 LEU . 50758 1 143 528 THR . 50758 1 144 529 SER . 50758 1 145 530 GLY . 50758 1 146 531 GLY . 50758 1 147 532 GLU . 50758 1 148 533 SER . 50758 1 149 534 ALA . 50758 1 150 535 VAL . 50758 1 151 536 SER . 50758 1 152 537 SER . 50758 1 153 538 VAL . 50758 1 154 539 ASN . 50758 1 155 540 ALA . 50758 1 156 541 ALA . 50758 1 157 542 PRO . 50758 1 158 543 THR . 50758 1 159 544 PRO . 50758 1 160 545 GLY . 50758 1 161 546 PRO . 50758 1 162 547 VAL . 50758 1 163 548 ARG . 50758 1 164 549 PHE . 50758 1 165 550 VAL . 50758 1 166 551 TRP . 50758 1 167 552 SER . 50758 1 168 553 HIS . 50758 1 169 554 PRO . 50758 1 170 555 GLN . 50758 1 171 556 PHE . 50758 1 172 557 GLU . 50758 1 173 558 LYS . 50758 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 50758 1 . PRO 2 2 50758 1 . ARG 3 3 50758 1 . ARG 4 4 50758 1 . ASN 5 5 50758 1 . GLN 6 6 50758 1 . PRO 7 7 50758 1 . ALA 8 8 50758 1 . GLU 9 9 50758 1 . GLN 10 10 50758 1 . THR 11 11 50758 1 . THR 12 12 50758 1 . THR 13 13 50758 1 . THR 14 14 50758 1 . THR 15 15 50758 1 . THR 16 16 50758 1 . HIS 17 17 50758 1 . THR 18 18 50758 1 . VAL 19 19 50758 1 . VAL 20 20 50758 1 . GLN 21 21 50758 1 . GLN 22 22 50758 1 . GLN 23 23 50758 1 . THR 24 24 50758 1 . GLY 25 25 50758 1 . GLY 26 26 50758 1 . ASN 27 27 50758 1 . THR 28 28 50758 1 . PRO 29 29 50758 1 . ALA 30 30 50758 1 . GLN 31 31 50758 1 . GLY 32 32 50758 1 . GLY 33 33 50758 1 . THR 34 34 50758 1 . ASP 35 35 50758 1 . ALA 36 36 50758 1 . THR 37 37 50758 1 . ARG 38 38 50758 1 . ALA 39 39 50758 1 . GLU 40 40 50758 1 . ASP 41 41 50758 1 . ALA 42 42 50758 1 . SER 43 43 50758 1 . LEU 44 44 50758 1 . ASN 45 45 50758 1 . ARG 46 46 50758 1 . ARG 47 47 50758 1 . ASP 48 48 50758 1 . SER 49 49 50758 1 . GLN 50 50 50758 1 . GLY 51 51 50758 1 . SER 52 52 50758 1 . VAL 53 53 50758 1 . ALA 54 54 50758 1 . SER 55 55 50758 1 . THR 56 56 50758 1 . HIS 57 57 50758 1 . TRP 58 58 50758 1 . SER 59 59 50758 1 . ASP 60 60 50758 1 . SER 61 61 50758 1 . SER 62 62 50758 1 . SER 63 63 50758 1 . GLU 64 64 50758 1 . VAL 65 65 50758 1 . VAL 66 66 50758 1 . ASN 67 67 50758 1 . PRO 68 68 50758 1 . TYR 69 69 50758 1 . ALA 70 70 50758 1 . GLU 71 71 50758 1 . VAL 72 72 50758 1 . GLY 73 73 50758 1 . GLY 74 74 50758 1 . ALA 75 75 50758 1 . ARG 76 76 50758 1 . ASN 77 77 50758 1 . SER 78 78 50758 1 . LEU 79 79 50758 1 . SER 80 80 50758 1 . ALA 81 81 50758 1 . HIS 82 82 50758 1 . GLN 83 83 50758 1 . PRO 84 84 50758 1 . GLU 85 85 50758 1 . GLU 86 86 50758 1 . HIS 87 87 50758 1 . ILE 88 88 50758 1 . TYR 89 89 50758 1 . ASP 90 90 50758 1 . GLU 91 91 50758 1 . VAL 92 92 50758 1 . ALA 93 93 50758 1 . ALA 94 94 50758 1 . ASP 95 95 50758 1 . PRO 96 96 50758 1 . GLY 97 97 50758 1 . TYR 98 98 50758 1 . SER 99 99 50758 1 . VAL 100 100 50758 1 . ILE 101 101 50758 1 . GLN 102 102 50758 1 . ASN 103 103 50758 1 . PHE 104 104 50758 1 . SER 105 105 50758 1 . GLY 106 106 50758 1 . SER 107 107 50758 1 . GLY 108 108 50758 1 . PRO 109 109 50758 1 . VAL 110 110 50758 1 . THR 111 111 50758 1 . GLY 112 112 50758 1 . ARG 113 113 50758 1 . LEU 114 114 50758 1 . ILE 115 115 50758 1 . GLY 116 116 50758 1 . THR 117 117 50758 1 . PRO 118 118 50758 1 . GLY 119 119 50758 1 . GLN 120 120 50758 1 . GLY 121 121 50758 1 . ILE 122 122 50758 1 . GLN 123 123 50758 1 . SER 124 124 50758 1 . THR 125 125 50758 1 . TYR 126 126 50758 1 . ALA 127 127 50758 1 . LEU 128 128 50758 1 . LEU 129 129 50758 1 . ALA 130 130 50758 1 . ASN 131 131 50758 1 . SER 132 132 50758 1 . GLY 133 133 50758 1 . GLY 134 134 50758 1 . LEU 135 135 50758 1 . ARG 136 136 50758 1 . LEU 137 137 50758 1 . GLY 138 138 50758 1 . MET 139 139 50758 1 . GLY 140 140 50758 1 . GLY 141 141 50758 1 . LEU 142 142 50758 1 . THR 143 143 50758 1 . SER 144 144 50758 1 . GLY 145 145 50758 1 . GLY 146 146 50758 1 . GLU 147 147 50758 1 . SER 148 148 50758 1 . ALA 149 149 50758 1 . VAL 150 150 50758 1 . SER 151 151 50758 1 . SER 152 152 50758 1 . VAL 153 153 50758 1 . ASN 154 154 50758 1 . ALA 155 155 50758 1 . ALA 156 156 50758 1 . PRO 157 157 50758 1 . THR 158 158 50758 1 . PRO 159 159 50758 1 . GLY 160 160 50758 1 . PRO 161 161 50758 1 . VAL 162 162 50758 1 . ARG 163 163 50758 1 . PHE 164 164 50758 1 . VAL 165 165 50758 1 . TRP 166 166 50758 1 . SER 167 167 50758 1 . HIS 168 168 50758 1 . PRO 169 169 50758 1 . GLN 170 170 50758 1 . PHE 171 171 50758 1 . GLU 172 172 50758 1 . LYS 173 173 50758 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 50758 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli 'O127:H6 (EPEC)' 'Escherichia coli O127:H6 (strain E2348/69 / EPEC)' . . . . . . . . . tir . 50758 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 50758 _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 'BL21 Star (DE3) pLysS' . . plasmid . . pHTP8 . . ; Recombinant protein expressed in fusion with the thioredoxin (Trx) protein. Cloning of HRV-3C recognition sequence for Trx tag removal; cloning of Streptag sequence on C-terminal region to allow purification using Biotin-Streptavidin Affinity Purification ; 50758 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50758 _Sample.ID 1 _Sample.Name C-Tir _Sample.Type solution _Sample.Sub_type . _Sample.Details 'C-Tir sample in NMR Buffer (150 mM NaCl, 20 mM Phosphate ph 6.5, 1 mM EDTA)' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '92% H2O/8% 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 C-Tir '[U-13C; U-15N]' . . 1 $entity_1 . . 950 . . uM . . . . 50758 1 2 D2O [U-2H] . . . . . . 8 . . '% v/v' . . . . 50758 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 50758 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 50758 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50758 1 6 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 50758 1 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 50758 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'C-Tir_Backbone assignment experiments' _Sample_condition_list.Details ; 950 uM C-Tir sample in 150 mM NaCl, 20 mM Phosphate pH 6.5, 1 mM EDTA Solvent: 8% D2O + 92% H2O 3mm NMR Sample tube (Wilmad) Sample total volume: 200 uL ; 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 50758 1 pH 6.50 0.1 pH 50758 1 pressure 1 . atm 50758 1 temperature 283 0.5 K 50758 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50758 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version 1.9.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'NMR data analysis' CARA 50758 1 'chemical shift assignment' CARA 50758 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50758 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'NMR data analysis and the acquisition and processing of NMR spectra' TOPSPIN 50758 2 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 50758 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Avance 800 II+' _NMR_spectrometer.Details '5 mm TXI triple resonance probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 50758 _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 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50758 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50758 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50758 1 4 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50758 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50758 1 6 '3D HN(COCA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50758 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50758 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50758 1 9 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50758 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 50758 _Computing_platform.ID 1 _Computing_platform.Name Topspin _Computing_platform.Reference_ID . _Computing_platform.Site . _Computing_platform.Site_reference_ID . _Computing_platform.Details 'Computing platform used to collect and process the data reported' save_ save_computing_platform_2 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_2 _Computing_platform.Entry_ID 50758 _Computing_platform.ID 2 _Computing_platform.Name CARA _Computing_platform.Reference_ID . _Computing_platform.Site . _Computing_platform.Site_reference_ID . _Computing_platform.Details 'Computing platform used to analyze spectra and assign the backbone resonances for the reported data' 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 50758 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'C-Tir_Chemical Shift Reference' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 2.924 external indirect . . . . . 2.923841 50758 1 H 1 DSS 'methyl protons' . . . . ppm 0.265 external direct 1 . . . . 0.257145 50758 1 N 15 DSS 'methyl protons' . . . . ppm 0.394 external indirect . . . . . 0.340807 50758 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 50758 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name C-Tir_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 '2D 1H-15N HSQC' . . . 50758 1 2 '3D HNCO' . . . 50758 1 3 '3D HNCA' . . . 50758 1 4 '3D HN(CO)CA' . . . 50758 1 5 '3D HNCACB' . . . 50758 1 6 '3D HN(COCA)CB' . . . 50758 1 7 '3D 1H-15N NOESY' . . . 50758 1 8 '3D 1H-15N TOCSY' . . . 50758 1 9 '3D HN(CA)CO' . . . 50758 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 1 $software_1 . . 50758 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 2 2 PRO C C 13 176.842 . . . . . . . . 387 P C . 50758 1 2 . 1 . 1 2 2 PRO CA C 13 62.829 . . . . . . . . 387 P CA . 50758 1 3 . 1 . 1 2 2 PRO CB C 13 32.318 . . . . . . . . 387 P CB . 50758 1 4 . 1 . 1 3 3 ARG H H 1 8.657 . . . . . . . . 388 R H . 50758 1 5 . 1 . 1 3 3 ARG C C 13 176.393 . . . . . . . . 388 R C . 50758 1 6 . 1 . 1 3 3 ARG CA C 13 56.185 . . . . . . . . 388 R CA . 50758 1 7 . 1 . 1 3 3 ARG CB C 13 30.697 . . . . . . . . 388 R CB . 50758 1 8 . 1 . 1 3 3 ARG N N 15 122.317 . . . . . . . . 388 R N . 50758 1 9 . 1 . 1 4 4 ARG H H 1 8.622 . . . . . . . . 389 R H . 50758 1 10 . 1 . 1 4 4 ARG C C 13 176.027 . . . . . . . . 389 R C . 50758 1 11 . 1 . 1 4 4 ARG CA C 13 56.037 . . . . . . . . 389 R CA . 50758 1 12 . 1 . 1 4 4 ARG CB C 13 30.803 . . . . . . . . 389 R CB . 50758 1 13 . 1 . 1 4 4 ARG N N 15 123.430 . . . . . . . . 389 R N . 50758 1 14 . 1 . 1 5 5 ASN H H 1 8.680 . . . . . . . . 390 N H . 50758 1 15 . 1 . 1 5 5 ASN C C 13 174.704 . . . . . . . . 390 N C . 50758 1 16 . 1 . 1 5 5 ASN CA C 13 53.245 . . . . . . . . 390 N CA . 50758 1 17 . 1 . 1 5 5 ASN CB C 13 38.655 . . . . . . . . 390 N CB . 50758 1 18 . 1 . 1 5 5 ASN N N 15 120.382 . . . . . . . . 390 N N . 50758 1 19 . 1 . 1 6 6 GLN H H 1 8.391 . . . . . . . . 391 Q H . 50758 1 20 . 1 . 1 6 6 GLN C C 13 173.760 . . . . . . . . 391 Q C . 50758 1 21 . 1 . 1 6 6 GLN CA C 13 53.636 . . . . . . . . 391 Q CA . 50758 1 22 . 1 . 1 6 6 GLN CB C 13 28.939 . . . . . . . . 391 Q CB . 50758 1 23 . 1 . 1 6 6 GLN N N 15 121.671 . . . . . . . . 391 Q N . 50758 1 24 . 1 . 1 7 7 PRO C C 13 176.665 . . . . . . . . 392 P C . 50758 1 25 . 1 . 1 7 7 PRO CA C 13 63.188 . . . . . . . . 392 P CA . 50758 1 26 . 1 . 1 7 7 PRO CB C 13 32.090 . . . . . . . . 392 P CB . 50758 1 27 . 1 . 1 8 8 ALA H H 1 8.559 . . . . . . . . 393 A H . 50758 1 28 . 1 . 1 8 8 ALA C C 13 177.964 . . . . . . . . 393 A C . 50758 1 29 . 1 . 1 8 8 ALA CA C 13 52.588 . . . . . . . . 393 A CA . 50758 1 30 . 1 . 1 8 8 ALA CB C 13 19.053 . . . . . . . . 393 A CB . 50758 1 31 . 1 . 1 8 8 ALA N N 15 124.597 . . . . . . . . 393 A N . 50758 1 32 . 1 . 1 9 9 GLU H H 1 8.518 . . . . . . . . 394 E H . 50758 1 33 . 1 . 1 9 9 GLU C C 13 176.523 . . . . . . . . 394 E C . 50758 1 34 . 1 . 1 9 9 GLU CA C 13 56.515 . . . . . . . . 394 E CA . 50758 1 35 . 1 . 1 9 9 GLU CB C 13 30.183 . . . . . . . . 394 E CB . 50758 1 36 . 1 . 1 9 9 GLU N N 15 120.281 . . . . . . . . 394 E N . 50758 1 37 . 1 . 1 10 10 GLN H H 1 8.550 . . . . . . . . 395 Q H . 50758 1 38 . 1 . 1 10 10 GLN C C 13 176.133 . . . . . . . . 395 Q C . 50758 1 39 . 1 . 1 10 10 GLN CA C 13 55.720 . . . . . . . . 395 Q CA . 50758 1 40 . 1 . 1 10 10 GLN CB C 13 29.412 . . . . . . . . 395 Q CB . 50758 1 41 . 1 . 1 10 10 GLN N N 15 121.886 . . . . . . . . 395 Q N . 50758 1 42 . 1 . 1 11 11 THR H H 1 8.395 . . . . . . . . 396 T H . 50758 1 43 . 1 . 1 11 11 THR C C 13 174.728 . . . . . . . . 396 T C . 50758 1 44 . 1 . 1 11 11 THR CA C 13 61.841 . . . . . . . . 396 T CA . 50758 1 45 . 1 . 1 11 11 THR CB C 13 69.887 . . . . . . . . 396 T CB . 50758 1 46 . 1 . 1 11 11 THR N N 15 116.262 . . . . . . . . 396 T N . 50758 1 47 . 1 . 1 12 12 THR H H 1 8.363 . . . . . . . . 397 T H . 50758 1 48 . 1 . 1 12 12 THR C C 13 174.787 . . . . . . . . 397 T C . 50758 1 49 . 1 . 1 12 12 THR CA C 13 61.892 . . . . . . . . 397 T CA . 50758 1 50 . 1 . 1 12 12 THR CB C 13 69.836 . . . . . . . . 397 T CB . 50758 1 51 . 1 . 1 12 12 THR N N 15 116.995 . . . . . . . . 397 T N . 50758 1 52 . 1 . 1 13 13 THR H H 1 8.362 . . . . . . . . 398 T H . 50758 1 53 . 1 . 1 13 13 THR C C 13 174.681 . . . . . . . . 398 T C . 50758 1 54 . 1 . 1 13 13 THR CA C 13 61.733 . . . . . . . . 398 T CA . 50758 1 55 . 1 . 1 13 13 THR CB C 13 69.878 . . . . . . . . 398 T CB . 50758 1 56 . 1 . 1 13 13 THR N N 15 116.839 . . . . . . . . 398 T N . 50758 1 57 . 1 . 1 14 14 THR H H 1 8.377 . . . . . . . . 399 T H . 50758 1 58 . 1 . 1 14 14 THR C C 13 174.693 . . . . . . . . 399 T C . 50758 1 59 . 1 . 1 14 14 THR CA C 13 61.864 . . . . . . . . 399 T CA . 50758 1 60 . 1 . 1 14 14 THR CB C 13 69.794 . . . . . . . . 399 T CB . 50758 1 61 . 1 . 1 14 14 THR N N 15 117.097 . . . . . . . . 399 T N . 50758 1 62 . 1 . 1 15 15 THR H H 1 8.355 . . . . . . . . 400 T H . 50758 1 63 . 1 . 1 15 15 THR C C 13 174.591 . . . . . . . . 400 T C . 50758 1 64 . 1 . 1 15 15 THR CA C 13 61.812 . . . . . . . . 400 T CA . 50758 1 65 . 1 . 1 15 15 THR CB C 13 69.863 . . . . . . . . 400 T CB . 50758 1 66 . 1 . 1 15 15 THR N N 15 117.110 . . . . . . . . 400 T N . 50758 1 67 . 1 . 1 16 16 THR H H 1 8.270 . . . . . . . . 401 T H . 50758 1 68 . 1 . 1 16 16 THR C C 13 174.173 . . . . . . . . 401 T C . 50758 1 69 . 1 . 1 16 16 THR CA C 13 61.878 . . . . . . . . 401 T CA . 50758 1 70 . 1 . 1 16 16 THR CB C 13 69.690 . . . . . . . . 401 T CB . 50758 1 71 . 1 . 1 16 16 THR N N 15 116.980 . . . . . . . . 401 T N . 50758 1 72 . 1 . 1 17 17 HIS H H 1 8.464 . . . . . . . . 402 H H . 50758 1 73 . 1 . 1 17 17 HIS C C 13 175.124 . . . . . . . . 402 H C . 50758 1 74 . 1 . 1 17 17 HIS CA C 13 56.099 . . . . . . . . 402 H CA . 50758 1 75 . 1 . 1 17 17 HIS CB C 13 30.591 . . . . . . . . 402 H CB . 50758 1 76 . 1 . 1 17 17 HIS N N 15 122.392 . . . . . . . . 402 H N . 50758 1 77 . 1 . 1 18 18 THR H H 1 8.274 . . . . . . . . 403 T H . 50758 1 78 . 1 . 1 18 18 THR C C 13 174.149 . . . . . . . . 403 T C . 50758 1 79 . 1 . 1 18 18 THR CA C 13 62.084 . . . . . . . . 403 T CA . 50758 1 80 . 1 . 1 18 18 THR CB C 13 69.787 . . . . . . . . 403 T CB . 50758 1 81 . 1 . 1 18 18 THR N N 15 117.505 . . . . . . . . 403 T N . 50758 1 82 . 1 . 1 19 19 VAL H H 1 8.388 . . . . . . . . 404 V H . 50758 1 83 . 1 . 1 19 19 VAL C C 13 176.122 . . . . . . . . 404 V C . 50758 1 84 . 1 . 1 19 19 VAL CA C 13 62.371 . . . . . . . . 404 V CA . 50758 1 85 . 1 . 1 19 19 VAL CB C 13 32.737 . . . . . . . . 404 V CB . 50758 1 86 . 1 . 1 19 19 VAL N N 15 124.315 . . . . . . . . 404 V N . 50758 1 87 . 1 . 1 20 20 VAL H H 1 8.407 . . . . . . . . 405 V H . 50758 1 88 . 1 . 1 20 20 VAL C C 13 176.169 . . . . . . . . 405 V C . 50758 1 89 . 1 . 1 20 20 VAL CA C 13 62.483 . . . . . . . . 405 V CA . 50758 1 90 . 1 . 1 20 20 VAL CB C 13 32.567 . . . . . . . . 405 V CB . 50758 1 91 . 1 . 1 20 20 VAL N N 15 125.775 . . . . . . . . 405 V N . 50758 1 92 . 1 . 1 21 21 GLN H H 1 8.608 . . . . . . . . 406 Q H . 50758 1 93 . 1 . 1 21 21 GLN C C 13 175.885 . . . . . . . . 406 Q C . 50758 1 94 . 1 . 1 21 21 GLN CA C 13 55.720 . . . . . . . . 406 Q CA . 50758 1 95 . 1 . 1 21 21 GLN CB C 13 29.342 . . . . . . . . 406 Q CB . 50758 1 96 . 1 . 1 21 21 GLN N N 15 125.389 . . . . . . . . 406 Q N . 50758 1 97 . 1 . 1 22 22 GLN H H 1 8.609 . . . . . . . . 407 Q H . 50758 1 98 . 1 . 1 22 22 GLN C C 13 175.969 . . . . . . . . 407 Q C . 50758 1 99 . 1 . 1 22 22 GLN CA C 13 55.840 . . . . . . . . 407 Q CA . 50758 1 100 . 1 . 1 22 22 GLN CB C 13 29.418 . . . . . . . . 407 Q CB . 50758 1 101 . 1 . 1 22 22 GLN N N 15 122.740 . . . . . . . . 407 Q N . 50758 1 102 . 1 . 1 23 23 GLN H H 1 8.677 . . . . . . . . 408 Q H . 50758 1 103 . 1 . 1 23 23 GLN C C 13 176.287 . . . . . . . . 408 Q C . 50758 1 104 . 1 . 1 23 23 GLN CA C 13 55.823 . . . . . . . . 408 Q CA . 50758 1 105 . 1 . 1 23 23 GLN CB C 13 29.350 . . . . . . . . 408 Q CB . 50758 1 106 . 1 . 1 23 23 GLN N N 15 122.499 . . . . . . . . 408 Q N . 50758 1 107 . 1 . 1 24 24 THR H H 1 8.416 . . . . . . . . 409 T H . 50758 1 108 . 1 . 1 24 24 THR C C 13 175.201 . . . . . . . . 409 T C . 50758 1 109 . 1 . 1 24 24 THR CA C 13 61.931 . . . . . . . . 409 T CA . 50758 1 110 . 1 . 1 24 24 THR CB C 13 69.883 . . . . . . . . 409 T CB . 50758 1 111 . 1 . 1 24 24 THR N N 15 115.746 . . . . . . . . 409 T N . 50758 1 112 . 1 . 1 25 25 GLY H H 1 8.592 . . . . . . . . 410 G H . 50758 1 113 . 1 . 1 25 25 GLY C C 13 174.669 . . . . . . . . 410 G C . 50758 1 114 . 1 . 1 25 25 GLY CA C 13 45.229 . . . . . . . . 410 G CA . 50758 1 115 . 1 . 1 25 25 GLY N N 15 111.518 . . . . . . . . 410 G N . 50758 1 116 . 1 . 1 26 26 GLY H H 1 8.398 . . . . . . . . 411 G H . 50758 1 117 . 1 . 1 26 26 GLY C C 13 173.943 . . . . . . . . 411 G C . 50758 1 118 . 1 . 1 26 26 GLY CA C 13 45.135 . . . . . . . . 411 G CA . 50758 1 119 . 1 . 1 26 26 GLY N N 15 108.888 . . . . . . . . 411 G N . 50758 1 120 . 1 . 1 27 27 ASN H H 1 8.486 . . . . . . . . 412 N H . 50758 1 121 . 1 . 1 27 27 ASN C C 13 175.177 . . . . . . . . 412 N C . 50758 1 122 . 1 . 1 27 27 ASN CA C 13 53.050 . . . . . . . . 412 N CA . 50758 1 123 . 1 . 1 27 27 ASN CB C 13 38.966 . . . . . . . . 412 N CB . 50758 1 124 . 1 . 1 27 27 ASN N N 15 118.752 . . . . . . . . 412 N N . 50758 1 125 . 1 . 1 28 28 THR H H 1 8.288 . . . . . . . . 413 T H . 50758 1 126 . 1 . 1 28 28 THR C C 13 172.850 . . . . . . . . 413 T C . 50758 1 127 . 1 . 1 28 28 THR CA C 13 60.057 . . . . . . . . 413 T CA . 50758 1 128 . 1 . 1 28 28 THR CB C 13 69.634 . . . . . . . . 413 T CB . 50758 1 129 . 1 . 1 28 28 THR N N 15 117.260 . . . . . . . . 413 T N . 50758 1 130 . 1 . 1 29 29 PRO C C 13 176.813 . . . . . . . . 414 P C . 50758 1 131 . 1 . 1 29 29 PRO CA C 13 63.231 . . . . . . . . 414 P CA . 50758 1 132 . 1 . 1 29 29 PRO CB C 13 32.098 . . . . . . . . 414 P CB . 50758 1 133 . 1 . 1 30 30 ALA H H 1 8.535 . . . . . . . . 415 A H . 50758 1 134 . 1 . 1 30 30 ALA C C 13 178.000 . . . . . . . . 415 A C . 50758 1 135 . 1 . 1 30 30 ALA CA C 13 52.614 . . . . . . . . 415 A CA . 50758 1 136 . 1 . 1 30 30 ALA CB C 13 18.971 . . . . . . . . 415 A CB . 50758 1 137 . 1 . 1 30 30 ALA N N 15 124.686 . . . . . . . . 415 A N . 50758 1 138 . 1 . 1 31 31 GLN H H 1 8.493 . . . . . . . . 416 Q H . 50758 1 139 . 1 . 1 31 31 GLN C C 13 176.535 . . . . . . . . 416 Q C . 50758 1 140 . 1 . 1 31 31 GLN CA C 13 55.848 . . . . . . . . 416 Q CA . 50758 1 141 . 1 . 1 31 31 GLN CB C 13 29.451 . . . . . . . . 416 Q CB . 50758 1 142 . 1 . 1 31 31 GLN N N 15 119.924 . . . . . . . . 416 Q N . 50758 1 143 . 1 . 1 32 32 GLY H H 1 8.546 . . . . . . . . 417 G H . 50758 1 144 . 1 . 1 32 32 GLY C C 13 174.607 . . . . . . . . 417 G C . 50758 1 145 . 1 . 1 32 32 GLY CA C 13 45.257 . . . . . . . . 417 G CA . 50758 1 146 . 1 . 1 32 32 GLY N N 15 110.419 . . . . . . . . 417 G N . 50758 1 147 . 1 . 1 33 33 GLY H H 1 8.391 . . . . . . . . 418 G H . 50758 1 148 . 1 . 1 33 33 GLY C C 13 174.523 . . . . . . . . 418 G C . 50758 1 149 . 1 . 1 33 33 GLY CA C 13 45.171 . . . . . . . . 418 G CA . 50758 1 150 . 1 . 1 33 33 GLY N N 15 108.830 . . . . . . . . 418 G N . 50758 1 151 . 1 . 1 34 34 THR H H 1 8.273 . . . . . . . . 419 T H . 50758 1 152 . 1 . 1 34 34 THR C C 13 174.586 . . . . . . . . 419 T C . 50758 1 153 . 1 . 1 34 34 THR CA C 13 61.751 . . . . . . . . 419 T CA . 50758 1 154 . 1 . 1 34 34 THR CB C 13 70.028 . . . . . . . . 419 T CB . 50758 1 155 . 1 . 1 34 34 THR N N 15 113.412 . . . . . . . . 419 T N . 50758 1 156 . 1 . 1 35 35 ASP H H 1 8.553 . . . . . . . . 420 D H . 50758 1 157 . 1 . 1 35 35 ASP C C 13 176.452 . . . . . . . . 420 D C . 50758 1 158 . 1 . 1 35 35 ASP CA C 13 54.642 . . . . . . . . 420 D CA . 50758 1 159 . 1 . 1 35 35 ASP CB C 13 40.813 . . . . . . . . 420 D CB . 50758 1 160 . 1 . 1 35 35 ASP N N 15 122.770 . . . . . . . . 420 D N . 50758 1 161 . 1 . 1 36 36 ALA H H 1 8.390 . . . . . . . . 421 A H . 50758 1 162 . 1 . 1 36 36 ALA C C 13 178.425 . . . . . . . . 421 A C . 50758 1 163 . 1 . 1 36 36 ALA CA C 13 53.076 . . . . . . . . 421 A CA . 50758 1 164 . 1 . 1 36 36 ALA CB C 13 19.001 . . . . . . . . 421 A CB . 50758 1 165 . 1 . 1 36 36 ALA N N 15 124.793 . . . . . . . . 421 A N . 50758 1 166 . 1 . 1 37 37 THR H H 1 8.222 . . . . . . . . 422 T H . 50758 1 167 . 1 . 1 37 37 THR C C 13 174.941 . . . . . . . . 422 T C . 50758 1 168 . 1 . 1 37 37 THR CA C 13 62.701 . . . . . . . . 422 T CA . 50758 1 169 . 1 . 1 37 37 THR CB C 13 69.563 . . . . . . . . 422 T CB . 50758 1 170 . 1 . 1 37 37 THR N N 15 113.284 . . . . . . . . 422 T N . 50758 1 171 . 1 . 1 38 38 ARG H H 1 8.282 . . . . . . . . 423 R H . 50758 1 172 . 1 . 1 38 38 ARG C C 13 176.429 . . . . . . . . 423 R C . 50758 1 173 . 1 . 1 38 38 ARG CA C 13 56.259 . . . . . . . . 423 R CA . 50758 1 174 . 1 . 1 38 38 ARG CB C 13 30.697 . . . . . . . . 423 R CB . 50758 1 175 . 1 . 1 38 38 ARG N N 15 123.785 . . . . . . . . 423 R N . 50758 1 176 . 1 . 1 39 39 ALA H H 1 8.429 . . . . . . . . 424 A H . 50758 1 177 . 1 . 1 39 39 ALA C C 13 178.342 . . . . . . . . 424 A C . 50758 1 178 . 1 . 1 39 39 ALA CA C 13 52.999 . . . . . . . . 424 A CA . 50758 1 179 . 1 . 1 39 39 ALA CB C 13 18.929 . . . . . . . . 424 A CB . 50758 1 180 . 1 . 1 39 39 ALA N N 15 125.863 . . . . . . . . 424 A N . 50758 1 181 . 1 . 1 40 40 GLU H H 1 8.580 . . . . . . . . 425 E H . 50758 1 182 . 1 . 1 40 40 GLU C C 13 176.653 . . . . . . . . 425 E C . 50758 1 183 . 1 . 1 40 40 GLU CA C 13 57.003 . . . . . . . . 425 E CA . 50758 1 184 . 1 . 1 40 40 GLU CB C 13 29.928 . . . . . . . . 425 E CB . 50758 1 185 . 1 . 1 40 40 GLU N N 15 120.118 . . . . . . . . 425 E N . 50758 1 186 . 1 . 1 41 41 ASP H H 1 8.327 . . . . . . . . 426 D H . 50758 1 187 . 1 . 1 41 41 ASP C C 13 176.709 . . . . . . . . 426 D C . 50758 1 188 . 1 . 1 41 41 ASP CA C 13 54.346 . . . . . . . . 426 D CA . 50758 1 189 . 1 . 1 41 41 ASP CB C 13 41.017 . . . . . . . . 426 D CB . 50758 1 190 . 1 . 1 41 41 ASP N N 15 121.486 . . . . . . . . 426 D N . 50758 1 191 . 1 . 1 42 42 ALA H H 1 8.412 . . . . . . . . 427 A H . 50758 1 192 . 1 . 1 42 42 ALA C C 13 178.525 . . . . . . . . 427 A C . 50758 1 193 . 1 . 1 42 42 ALA CA C 13 53.357 . . . . . . . . 427 A CA . 50758 1 194 . 1 . 1 42 42 ALA CB C 13 18.749 . . . . . . . . 427 A CB . 50758 1 195 . 1 . 1 42 42 ALA N N 15 125.599 . . . . . . . . 427 A N . 50758 1 196 . 1 . 1 43 43 SER H H 1 8.364 . . . . . . . . 428 S H . 50758 1 197 . 1 . 1 43 43 SER C C 13 175.224 . . . . . . . . 428 S C . 50758 1 198 . 1 . 1 43 43 SER CA C 13 59.467 . . . . . . . . 428 S CA . 50758 1 199 . 1 . 1 43 43 SER CB C 13 63.452 . . . . . . . . 428 S CB . 50758 1 200 . 1 . 1 43 43 SER N N 15 114.469 . . . . . . . . 428 S N . 50758 1 201 . 1 . 1 44 44 LEU H H 1 7.968 . . . . . . . . 429 L H . 50758 1 202 . 1 . 1 44 44 LEU C C 13 177.350 . . . . . . . . 429 L C . 50758 1 203 . 1 . 1 44 44 LEU CA C 13 55.643 . . . . . . . . 429 L CA . 50758 1 204 . 1 . 1 44 44 LEU CB C 13 41.980 . . . . . . . . 429 L CB . 50758 1 205 . 1 . 1 44 44 LEU N N 15 122.966 . . . . . . . . 429 L N . 50758 1 206 . 1 . 1 45 45 ASN H H 1 8.263 . . . . . . . . 430 N H . 50758 1 207 . 1 . 1 45 45 ASN C C 13 175.189 . . . . . . . . 430 N C . 50758 1 208 . 1 . 1 45 45 ASN CA C 13 53.358 . . . . . . . . 430 N CA . 50758 1 209 . 1 . 1 45 45 ASN CB C 13 38.576 . . . . . . . . 430 N CB . 50758 1 210 . 1 . 1 45 45 ASN N N 15 118.444 . . . . . . . . 430 N N . 50758 1 211 . 1 . 1 46 46 ARG H H 1 8.239 . . . . . . . . 431 R H . 50758 1 212 . 1 . 1 46 46 ARG C C 13 176.570 . . . . . . . . 431 R C . 50758 1 213 . 1 . 1 46 46 ARG CA C 13 56.391 . . . . . . . . 431 R CA . 50758 1 214 . 1 . 1 46 46 ARG CB C 13 30.543 . . . . . . . . 431 R CB . 50758 1 215 . 1 . 1 46 46 ARG N N 15 121.518 . . . . . . . . 431 R N . 50758 1 216 . 1 . 1 47 47 ARG H H 1 8.478 . . . . . . . . 432 R H . 50758 1 217 . 1 . 1 47 47 ARG C C 13 176.340 . . . . . . . . 432 R C . 50758 1 218 . 1 . 1 47 47 ARG CA C 13 56.308 . . . . . . . . 432 R CA . 50758 1 219 . 1 . 1 47 47 ARG CB C 13 30.646 . . . . . . . . 432 R CB . 50758 1 220 . 1 . 1 47 47 ARG N N 15 122.357 . . . . . . . . 432 R N . 50758 1 221 . 1 . 1 48 48 ASP H H 1 8.463 . . . . . . . . 433 D H . 50758 1 222 . 1 . 1 48 48 ASP C C 13 176.618 . . . . . . . . 433 D C . 50758 1 223 . 1 . 1 48 48 ASP CA C 13 54.308 . . . . . . . . 433 D CA . 50758 1 224 . 1 . 1 48 48 ASP CB C 13 41.024 . . . . . . . . 433 D CB . 50758 1 225 . 1 . 1 48 48 ASP N N 15 121.113 . . . . . . . . 433 D N . 50758 1 226 . 1 . 1 49 49 SER H H 1 8.334 . . . . . . . . 434 S H . 50758 1 227 . 1 . 1 49 49 SER C C 13 174.929 . . . . . . . . 434 S C . 50758 1 228 . 1 . 1 49 49 SER CA C 13 58.774 . . . . . . . . 434 S CA . 50758 1 229 . 1 . 1 49 49 SER CB C 13 63.651 . . . . . . . . 434 S CB . 50758 1 230 . 1 . 1 49 49 SER N N 15 116.149 . . . . . . . . 434 S N . 50758 1 231 . 1 . 1 50 50 GLN H H 1 8.497 . . . . . . . . 435 Q H . 50758 1 232 . 1 . 1 50 50 GLN C C 13 176.618 . . . . . . . . 435 Q C . 50758 1 233 . 1 . 1 50 50 GLN CA C 13 56.207 . . . . . . . . 435 Q CA . 50758 1 234 . 1 . 1 50 50 GLN CB C 13 29.102 . . . . . . . . 435 Q CB . 50758 1 235 . 1 . 1 50 50 GLN N N 15 121.937 . . . . . . . . 435 Q N . 50758 1 236 . 1 . 1 51 51 GLY H H 1 8.443 . . . . . . . . 436 G H . 50758 1 237 . 1 . 1 51 51 GLY C C 13 174.149 . . . . . . . . 436 G C . 50758 1 238 . 1 . 1 51 51 GLY CA C 13 45.248 . . . . . . . . 436 G CA . 50758 1 239 . 1 . 1 51 51 GLY N N 15 109.809 . . . . . . . . 436 G N . 50758 1 240 . 1 . 1 52 52 SER H H 1 8.294 . . . . . . . . 437 S H . 50758 1 241 . 1 . 1 52 52 SER C C 13 174.705 . . . . . . . . 437 S C . 50758 1 242 . 1 . 1 52 52 SER CA C 13 58.290 . . . . . . . . 437 S CA . 50758 1 243 . 1 . 1 52 52 SER CB C 13 63.827 . . . . . . . . 437 S CB . 50758 1 244 . 1 . 1 52 52 SER N N 15 116.034 . . . . . . . . 437 S N . 50758 1 245 . 1 . 1 53 53 VAL H H 1 8.293 . . . . . . . . 438 V H . 50758 1 246 . 1 . 1 53 53 VAL C C 13 176.074 . . . . . . . . 438 V C . 50758 1 247 . 1 . 1 53 53 VAL CA C 13 62.290 . . . . . . . . 438 V CA . 50758 1 248 . 1 . 1 53 53 VAL CB C 13 32.614 . . . . . . . . 438 V CB . 50758 1 249 . 1 . 1 53 53 VAL N N 15 122.091 . . . . . . . . 438 V N . 50758 1 250 . 1 . 1 54 54 ALA H H 1 8.487 . . . . . . . . 439 A H . 50758 1 251 . 1 . 1 54 54 ALA C C 13 177.893 . . . . . . . . 439 A C . 50758 1 252 . 1 . 1 54 54 ALA CA C 13 52.614 . . . . . . . . 439 A CA . 50758 1 253 . 1 . 1 54 54 ALA CB C 13 19.146 . . . . . . . . 439 A CB . 50758 1 254 . 1 . 1 54 54 ALA N N 15 127.918 . . . . . . . . 439 A N . 50758 1 255 . 1 . 1 55 55 SER H H 1 8.386 . . . . . . . . 440 S H . 50758 1 256 . 1 . 1 55 55 SER C C 13 174.929 . . . . . . . . 440 S C . 50758 1 257 . 1 . 1 55 55 SER CA C 13 58.389 . . . . . . . . 440 S CA . 50758 1 258 . 1 . 1 55 55 SER CB C 13 63.712 . . . . . . . . 440 S CB . 50758 1 259 . 1 . 1 55 55 SER N N 15 115.535 . . . . . . . . 440 S N . 50758 1 260 . 1 . 1 56 56 THR H H 1 8.188 . . . . . . . . 441 T H . 50758 1 261 . 1 . 1 56 56 THR C C 13 174.303 . . . . . . . . 441 T C . 50758 1 262 . 1 . 1 56 56 THR CA C 13 61.905 . . . . . . . . 441 T CA . 50758 1 263 . 1 . 1 56 56 THR CB C 13 69.688 . . . . . . . . 441 T CB . 50758 1 264 . 1 . 1 56 56 THR N N 15 115.594 . . . . . . . . 441 T N . 50758 1 265 . 1 . 1 57 57 HIS H H 1 8.343 . . . . . . . . 442 H H . 50758 1 266 . 1 . 1 57 57 HIS C C 13 174.917 . . . . . . . . 442 H C . 50758 1 267 . 1 . 1 57 57 HIS CA C 13 56.273 . . . . . . . . 442 H CA . 50758 1 268 . 1 . 1 57 57 HIS CB C 13 30.238 . . . . . . . . 442 H CB . 50758 1 269 . 1 . 1 57 57 HIS N N 15 121.717 . . . . . . . . 442 H N . 50758 1 270 . 1 . 1 58 58 TRP H H 1 8.110 . . . . . . . . 443 W H . 50758 1 271 . 1 . 1 58 58 TRP C C 13 176.145 . . . . . . . . 443 W C . 50758 1 272 . 1 . 1 58 58 TRP CA C 13 57.623 . . . . . . . . 443 W CA . 50758 1 273 . 1 . 1 58 58 TRP CB C 13 29.392 . . . . . . . . 443 W CB . 50758 1 274 . 1 . 1 58 58 TRP N N 15 123.359 . . . . . . . . 443 W N . 50758 1 275 . 1 . 1 59 59 SER H H 1 8.044 . . . . . . . . 444 S H . 50758 1 276 . 1 . 1 59 59 SER C C 13 173.830 . . . . . . . . 444 S C . 50758 1 277 . 1 . 1 59 59 SER CA C 13 58.071 . . . . . . . . 444 S CA . 50758 1 278 . 1 . 1 59 59 SER CB C 13 63.965 . . . . . . . . 444 S CB . 50758 1 279 . 1 . 1 59 59 SER N N 15 117.869 . . . . . . . . 444 S N . 50758 1 280 . 1 . 1 60 60 ASP H H 1 8.247 . . . . . . . . 445 D H . 50758 1 281 . 1 . 1 60 60 ASP C C 13 176.511 . . . . . . . . 445 D C . 50758 1 282 . 1 . 1 60 60 ASP CA C 13 54.331 . . . . . . . . 445 D CA . 50758 1 283 . 1 . 1 60 60 ASP CB C 13 41.125 . . . . . . . . 445 D CB . 50758 1 284 . 1 . 1 60 60 ASP N N 15 122.706 . . . . . . . . 445 D N . 50758 1 285 . 1 . 1 61 61 SER H H 1 8.334 . . . . . . . . 446 S H . 50758 1 286 . 1 . 1 61 61 SER C C 13 174.895 . . . . . . . . 446 S C . 50758 1 287 . 1 . 1 61 61 SER CA C 13 58.645 . . . . . . . . 446 S CA . 50758 1 288 . 1 . 1 61 61 SER CB C 13 63.642 . . . . . . . . 446 S CB . 50758 1 289 . 1 . 1 61 61 SER N N 15 116.478 . . . . . . . . 446 S N . 50758 1 290 . 1 . 1 62 62 SER H H 1 8.426 . . . . . . . . 447 S H . 50758 1 291 . 1 . 1 62 62 SER C C 13 174.752 . . . . . . . . 447 S C . 50758 1 292 . 1 . 1 62 62 SER CA C 13 58.814 . . . . . . . . 447 S CA . 50758 1 293 . 1 . 1 62 62 SER CB C 13 63.715 . . . . . . . . 447 S CB . 50758 1 294 . 1 . 1 62 62 SER N N 15 118.136 . . . . . . . . 447 S N . 50758 1 295 . 1 . 1 63 63 SER H H 1 8.328 . . . . . . . . 448 S H . 50758 1 296 . 1 . 1 63 63 SER C C 13 174.374 . . . . . . . . 448 S C . 50758 1 297 . 1 . 1 63 63 SER CA C 13 58.633 . . . . . . . . 448 S CA . 50758 1 298 . 1 . 1 63 63 SER CB C 13 63.770 . . . . . . . . 448 S CB . 50758 1 299 . 1 . 1 63 63 SER N N 15 117.818 . . . . . . . . 448 S N . 50758 1 300 . 1 . 1 64 64 GLU H H 1 8.361 . . . . . . . . 449 E H . 50758 1 301 . 1 . 1 64 64 GLU C C 13 176.252 . . . . . . . . 449 E C . 50758 1 302 . 1 . 1 64 64 GLU CA C 13 56.419 . . . . . . . . 449 E CA . 50758 1 303 . 1 . 1 64 64 GLU CB C 13 30.261 . . . . . . . . 449 E CB . 50758 1 304 . 1 . 1 64 64 GLU N N 15 122.823 . . . . . . . . 449 E N . 50758 1 305 . 1 . 1 65 65 VAL H H 1 8.232 . . . . . . . . 450 V H . 50758 1 306 . 1 . 1 65 65 VAL C C 13 176.049 . . . . . . . . 450 V C . 50758 1 307 . 1 . 1 65 65 VAL CA C 13 62.367 . . . . . . . . 450 V CA . 50758 1 308 . 1 . 1 65 65 VAL CB C 13 32.623 . . . . . . . . 450 V CB . 50758 1 309 . 1 . 1 65 65 VAL N N 15 122.305 . . . . . . . . 450 V N . 50758 1 310 . 1 . 1 66 66 VAL H H 1 8.361 . . . . . . . . 451 V H . 50758 1 311 . 1 . 1 66 66 VAL C C 13 175.484 . . . . . . . . 451 V C . 50758 1 312 . 1 . 1 66 66 VAL CA C 13 62.274 . . . . . . . . 451 V CA . 50758 1 313 . 1 . 1 66 66 VAL CB C 13 32.643 . . . . . . . . 451 V CB . 50758 1 314 . 1 . 1 66 66 VAL N N 15 125.633 . . . . . . . . 451 V N . 50758 1 315 . 1 . 1 67 67 ASN H H 1 8.678 . . . . . . . . 452 N H . 50758 1 316 . 1 . 1 67 67 ASN C C 13 173.948 . . . . . . . . 452 N C . 50758 1 317 . 1 . 1 67 67 ASN CA C 13 50.612 . . . . . . . . 452 N CA . 50758 1 318 . 1 . 1 67 67 ASN CB C 13 38.771 . . . . . . . . 452 N CB . 50758 1 319 . 1 . 1 67 67 ASN N N 15 124.198 . . . . . . . . 452 N N . 50758 1 320 . 1 . 1 68 68 PRO C C 13 176.630 . . . . . . . . 453 P C . 50758 1 321 . 1 . 1 68 68 PRO CA C 13 63.548 . . . . . . . . 453 P CA . 50758 1 322 . 1 . 1 68 68 PRO CB C 13 31.838 . . . . . . . . 453 P CB . 50758 1 323 . 1 . 1 69 69 TYR H H 1 7.989 . . . . . . . . 454 Y H . 50758 1 324 . 1 . 1 69 69 TYR C C 13 175.590 . . . . . . . . 454 Y C . 50758 1 325 . 1 . 1 69 69 TYR CA C 13 57.465 . . . . . . . . 454 Y CA . 50758 1 326 . 1 . 1 69 69 TYR CB C 13 38.007 . . . . . . . . 454 Y CB . 50758 1 327 . 1 . 1 69 69 TYR N N 15 118.664 . . . . . . . . 454 Y N . 50758 1 328 . 1 . 1 70 70 ALA H H 1 7.709 . . . . . . . . 455 A H . 50758 1 329 . 1 . 1 70 70 ALA C C 13 177.350 . . . . . . . . 455 A C . 50758 1 330 . 1 . 1 70 70 ALA CA C 13 52.486 . . . . . . . . 455 A CA . 50758 1 331 . 1 . 1 70 70 ALA CB C 13 19.400 . . . . . . . . 455 A CB . 50758 1 332 . 1 . 1 70 70 ALA N N 15 124.608 . . . . . . . . 455 A N . 50758 1 333 . 1 . 1 71 71 GLU H H 1 8.386 . . . . . . . . 456 E H . 50758 1 334 . 1 . 1 71 71 GLU C C 13 176.771 . . . . . . . . 456 E C . 50758 1 335 . 1 . 1 71 71 GLU CA C 13 56.336 . . . . . . . . 456 E CA . 50758 1 336 . 1 . 1 71 71 GLU CB C 13 30.179 . . . . . . . . 456 E CB . 50758 1 337 . 1 . 1 71 71 GLU N N 15 120.507 . . . . . . . . 456 E N . 50758 1 338 . 1 . 1 72 72 VAL H H 1 8.336 . . . . . . . . 457 V H . 50758 1 339 . 1 . 1 72 72 VAL C C 13 176.972 . . . . . . . . 457 V C . 50758 1 340 . 1 . 1 72 72 VAL CA C 13 62.624 . . . . . . . . 457 V CA . 50758 1 341 . 1 . 1 72 72 VAL CB C 13 32.558 . . . . . . . . 457 V CB . 50758 1 342 . 1 . 1 72 72 VAL N N 15 121.849 . . . . . . . . 457 V N . 50758 1 343 . 1 . 1 73 73 GLY H H 1 8.656 . . . . . . . . 458 G H . 50758 1 344 . 1 . 1 73 73 GLY C C 13 174.787 . . . . . . . . 458 G C . 50758 1 345 . 1 . 1 73 73 GLY CA C 13 45.351 . . . . . . . . 458 G CA . 50758 1 346 . 1 . 1 73 73 GLY N N 15 113.057 . . . . . . . . 458 G N . 50758 1 347 . 1 . 1 74 74 GLY H H 1 8.325 . . . . . . . . 459 G H . 50758 1 348 . 1 . 1 74 74 GLY C C 13 173.965 . . . . . . . . 459 G C . 50758 1 349 . 1 . 1 74 74 GLY CA C 13 45.056 . . . . . . . . 459 G CA . 50758 1 350 . 1 . 1 74 74 GLY N N 15 108.933 . . . . . . . . 459 G N . 50758 1 351 . 1 . 1 75 75 ALA H H 1 8.314 . . . . . . . . 460 A H . 50758 1 352 . 1 . 1 75 75 ALA C C 13 178.082 . . . . . . . . 460 A C . 50758 1 353 . 1 . 1 75 75 ALA CA C 13 52.640 . . . . . . . . 460 A CA . 50758 1 354 . 1 . 1 75 75 ALA CB C 13 19.098 . . . . . . . . 460 A CB . 50758 1 355 . 1 . 1 75 75 ALA N N 15 123.841 . . . . . . . . 460 A N . 50758 1 356 . 1 . 1 76 76 ARG H H 1 8.464 . . . . . . . . 461 R H . 50758 1 357 . 1 . 1 76 76 ARG C C 13 176.275 . . . . . . . . 461 R C . 50758 1 358 . 1 . 1 76 76 ARG CA C 13 56.225 . . . . . . . . 461 R CA . 50758 1 359 . 1 . 1 76 76 ARG CB C 13 30.512 . . . . . . . . 461 R CB . 50758 1 360 . 1 . 1 76 76 ARG N N 15 120.279 . . . . . . . . 461 R N . 50758 1 361 . 1 . 1 77 77 ASN H H 1 8.509 . . . . . . . . 462 N H . 50758 1 362 . 1 . 1 77 77 ASN C C 13 175.425 . . . . . . . . 462 N C . 50758 1 363 . 1 . 1 77 77 ASN CA C 13 53.188 . . . . . . . . 462 N CA . 50758 1 364 . 1 . 1 77 77 ASN CB C 13 38.796 . . . . . . . . 462 N CB . 50758 1 365 . 1 . 1 77 77 ASN N N 15 119.803 . . . . . . . . 462 N N . 50758 1 366 . 1 . 1 78 78 SER H H 1 8.388 . . . . . . . . 463 S H . 50758 1 367 . 1 . 1 78 78 SER C C 13 174.777 . . . . . . . . 463 S C . 50758 1 368 . 1 . 1 78 78 SER CA C 13 58.746 . . . . . . . . 463 S CA . 50758 1 369 . 1 . 1 78 78 SER CB C 13 63.660 . . . . . . . . 463 S CB . 50758 1 370 . 1 . 1 78 78 SER N N 15 116.527 . . . . . . . . 463 S N . 50758 1 371 . 1 . 1 79 79 LEU H H 1 8.376 . . . . . . . . 464 L H . 50758 1 372 . 1 . 1 79 79 LEU C C 13 177.669 . . . . . . . . 464 L C . 50758 1 373 . 1 . 1 79 79 LEU CA C 13 55.412 . . . . . . . . 464 L CA . 50758 1 374 . 1 . 1 79 79 LEU CB C 13 42.017 . . . . . . . . 464 L CB . 50758 1 375 . 1 . 1 79 79 LEU N N 15 123.816 . . . . . . . . 464 L N . 50758 1 376 . 1 . 1 80 80 SER H H 1 8.227 . . . . . . . . 465 S H . 50758 1 377 . 1 . 1 80 80 SER C C 13 174.238 . . . . . . . . 465 S C . 50758 1 378 . 1 . 1 80 80 SER CA C 13 58.389 . . . . . . . . 465 S CA . 50758 1 379 . 1 . 1 80 80 SER CB C 13 63.718 . . . . . . . . 465 S CB . 50758 1 380 . 1 . 1 80 80 SER N N 15 116.156 . . . . . . . . 465 S N . 50758 1 381 . 1 . 1 81 81 ALA H H 1 8.306 . . . . . . . . 466 A H . 50758 1 382 . 1 . 1 81 81 ALA C C 13 177.350 . . . . . . . . 466 A C . 50758 1 383 . 1 . 1 81 81 ALA CA C 13 52.511 . . . . . . . . 466 A CA . 50758 1 384 . 1 . 1 81 81 ALA CB C 13 19.115 . . . . . . . . 466 A CB . 50758 1 385 . 1 . 1 81 81 ALA N N 15 125.805 . . . . . . . . 466 A N . 50758 1 386 . 1 . 1 82 82 HIS H H 1 8.344 . . . . . . . . 467 H H . 50758 1 387 . 1 . 1 82 82 HIS C C 13 174.716 . . . . . . . . 467 H C . 50758 1 388 . 1 . 1 82 82 HIS CA C 13 55.773 . . . . . . . . 467 H CA . 50758 1 389 . 1 . 1 82 82 HIS CB C 13 30.122 . . . . . . . . 467 H CB . 50758 1 390 . 1 . 1 82 82 HIS N N 15 118.633 . . . . . . . . 467 H N . 50758 1 391 . 1 . 1 83 83 GLN H H 1 8.452 . . . . . . . . 468 Q H . 50758 1 392 . 1 . 1 83 83 GLN C C 13 173.795 . . . . . . . . 468 Q C . 50758 1 393 . 1 . 1 83 83 GLN CA C 13 53.435 . . . . . . . . 468 Q CA . 50758 1 394 . 1 . 1 83 83 GLN CB C 13 28.762 . . . . . . . . 468 Q CB . 50758 1 395 . 1 . 1 83 83 GLN N N 15 123.734 . . . . . . . . 468 Q N . 50758 1 396 . 1 . 1 84 84 PRO C C 13 176.960 . . . . . . . . 469 P C . 50758 1 397 . 1 . 1 84 84 PRO CA C 13 63.341 . . . . . . . . 469 P CA . 50758 1 398 . 1 . 1 84 84 PRO CB C 13 32.051 . . . . . . . . 469 P CB . 50758 1 399 . 1 . 1 85 85 GLU H H 1 8.684 . . . . . . . . 470 E H . 50758 1 400 . 1 . 1 85 85 GLU C C 13 176.382 . . . . . . . . 470 E C . 50758 1 401 . 1 . 1 85 85 GLU CA C 13 56.644 . . . . . . . . 470 E CA . 50758 1 402 . 1 . 1 85 85 GLU CB C 13 30.047 . . . . . . . . 470 E CB . 50758 1 403 . 1 . 1 85 85 GLU N N 15 121.096 . . . . . . . . 470 E N . 50758 1 404 . 1 . 1 86 86 GLU H H 1 8.414 . . . . . . . . 471 E H . 50758 1 405 . 1 . 1 86 86 GLU C C 13 176.090 . . . . . . . . 471 E C . 50758 1 406 . 1 . 1 86 86 GLU CA C 13 56.438 . . . . . . . . 471 E CA . 50758 1 407 . 1 . 1 86 86 GLU CB C 13 30.459 . . . . . . . . 471 E CB . 50758 1 408 . 1 . 1 86 86 GLU N N 15 121.927 . . . . . . . . 471 E N . 50758 1 409 . 1 . 1 87 87 HIS H H 1 8.529 . . . . . . . . 472 H H . 50758 1 410 . 1 . 1 87 87 HIS C C 13 174.344 . . . . . . . . 472 H C . 50758 1 411 . 1 . 1 87 87 HIS CA C 13 55.529 . . . . . . . . 472 H CA . 50758 1 412 . 1 . 1 87 87 HIS CB C 13 29.721 . . . . . . . . 472 H CB . 50758 1 413 . 1 . 1 87 87 HIS N N 15 120.693 . . . . . . . . 472 H N . 50758 1 414 . 1 . 1 88 88 ILE H H 1 8.110 . . . . . . . . 473 I H . 50758 1 415 . 1 . 1 88 88 ILE C C 13 175.803 . . . . . . . . 473 I C . 50758 1 416 . 1 . 1 88 88 ILE CA C 13 61.092 . . . . . . . . 473 I CA . 50758 1 417 . 1 . 1 88 88 ILE CB C 13 38.412 . . . . . . . . 473 I CB . 50758 1 418 . 1 . 1 88 88 ILE N N 15 122.942 . . . . . . . . 473 I N . 50758 1 419 . 1 . 1 89 89 TYR H H 1 8.389 . . . . . . . . 474 Y H . 50758 1 420 . 1 . 1 89 89 TYR C C 13 175.336 . . . . . . . . 474 Y C . 50758 1 421 . 1 . 1 89 89 TYR CA C 13 57.640 . . . . . . . . 474 Y CA . 50758 1 422 . 1 . 1 89 89 TYR CB C 13 38.342 . . . . . . . . 474 Y CB . 50758 1 423 . 1 . 1 89 89 TYR N N 15 124.428 . . . . . . . . 474 Y N . 50758 1 424 . 1 . 1 90 90 ASP H H 1 8.247 . . . . . . . . 475 D H . 50758 1 425 . 1 . 1 90 90 ASP C C 13 175.880 . . . . . . . . 475 D C . 50758 1 426 . 1 . 1 90 90 ASP CA C 13 54.294 . . . . . . . . 475 D CA . 50758 1 427 . 1 . 1 90 90 ASP CB C 13 41.114 . . . . . . . . 475 D CB . 50758 1 428 . 1 . 1 90 90 ASP N N 15 122.641 . . . . . . . . 475 D N . 50758 1 429 . 1 . 1 91 91 GLU H H 1 8.395 . . . . . . . . 476 E H . 50758 1 430 . 1 . 1 91 91 GLU C C 13 176.500 . . . . . . . . 476 E C . 50758 1 431 . 1 . 1 91 91 GLU CA C 13 56.644 . . . . . . . . 476 E CA . 50758 1 432 . 1 . 1 91 91 GLU CB C 13 30.277 . . . . . . . . 476 E CB . 50758 1 433 . 1 . 1 91 91 GLU N N 15 121.707 . . . . . . . . 476 E N . 50758 1 434 . 1 . 1 92 92 VAL H H 1 8.261 . . . . . . . . 477 V H . 50758 1 435 . 1 . 1 92 92 VAL C C 13 175.980 . . . . . . . . 477 V C . 50758 1 436 . 1 . 1 92 92 VAL CA C 13 62.420 . . . . . . . . 477 V CA . 50758 1 437 . 1 . 1 92 92 VAL CB C 13 32.626 . . . . . . . . 477 V CB . 50758 1 438 . 1 . 1 92 92 VAL N N 15 122.041 . . . . . . . . 477 V N . 50758 1 439 . 1 . 1 93 93 ALA H H 1 8.359 . . . . . . . . 478 A H . 50758 1 440 . 1 . 1 93 93 ALA C C 13 177.238 . . . . . . . . 478 A C . 50758 1 441 . 1 . 1 93 93 ALA CA C 13 52.280 . . . . . . . . 478 A CA . 50758 1 442 . 1 . 1 93 93 ALA CB C 13 19.087 . . . . . . . . 478 A CB . 50758 1 443 . 1 . 1 93 93 ALA N N 15 127.966 . . . . . . . . 478 A N . 50758 1 444 . 1 . 1 94 94 ALA H H 1 8.263 . . . . . . . . 479 A H . 50758 1 445 . 1 . 1 94 94 ALA C C 13 177.208 . . . . . . . . 479 A C . 50758 1 446 . 1 . 1 94 94 ALA CA C 13 52.122 . . . . . . . . 479 A CA . 50758 1 447 . 1 . 1 94 94 ALA CB C 13 19.211 . . . . . . . . 479 A CB . 50758 1 448 . 1 . 1 94 94 ALA N N 15 123.570 . . . . . . . . 479 A N . 50758 1 449 . 1 . 1 95 95 ASP H H 1 8.334 . . . . . . . . 480 D H . 50758 1 450 . 1 . 1 95 95 ASP C C 13 175.047 . . . . . . . . 480 D C . 50758 1 451 . 1 . 1 95 95 ASP CA C 13 52.245 . . . . . . . . 480 D CA . 50758 1 452 . 1 . 1 95 95 ASP CB C 13 41.187 . . . . . . . . 480 D CB . 50758 1 453 . 1 . 1 95 95 ASP N N 15 121.433 . . . . . . . . 480 D N . 50758 1 454 . 1 . 1 96 96 PRO C C 13 177.598 . . . . . . . . 481 P C . 50758 1 455 . 1 . 1 96 96 PRO CA C 13 63.805 . . . . . . . . 481 P CA . 50758 1 456 . 1 . 1 96 96 PRO CB C 13 31.884 . . . . . . . . 481 P CB . 50758 1 457 . 1 . 1 97 97 GLY H H 1 8.587 . . . . . . . . 482 G H . 50758 1 458 . 1 . 1 97 97 GLY C C 13 174.043 . . . . . . . . 482 G C . 50758 1 459 . 1 . 1 97 97 GLY CA C 13 45.274 . . . . . . . . 482 G CA . 50758 1 460 . 1 . 1 97 97 GLY N N 15 108.381 . . . . . . . . 482 G N . 50758 1 461 . 1 . 1 98 98 TYR H H 1 7.915 . . . . . . . . 483 Y H . 50758 1 462 . 1 . 1 98 98 TYR C C 13 175.803 . . . . . . . . 483 Y C . 50758 1 463 . 1 . 1 98 98 TYR CA C 13 58.055 . . . . . . . . 483 Y CA . 50758 1 464 . 1 . 1 98 98 TYR CB C 13 38.812 . . . . . . . . 483 Y CB . 50758 1 465 . 1 . 1 98 98 TYR N N 15 120.144 . . . . . . . . 483 Y N . 50758 1 466 . 1 . 1 99 99 SER H H 1 8.227 . . . . . . . . 484 S H . 50758 1 467 . 1 . 1 99 99 SER C C 13 174.043 . . . . . . . . 484 S C . 50758 1 468 . 1 . 1 99 99 SER CA C 13 58.176 . . . . . . . . 484 S CA . 50758 1 469 . 1 . 1 99 99 SER CB C 13 63.882 . . . . . . . . 484 S CB . 50758 1 470 . 1 . 1 99 99 SER N N 15 117.745 . . . . . . . . 484 S N . 50758 1 471 . 1 . 1 100 100 VAL H H 1 8.126 . . . . . . . . 485 V H . 50758 1 472 . 1 . 1 100 100 VAL C C 13 176.236 . . . . . . . . 485 V C . 50758 1 473 . 1 . 1 100 100 VAL CA C 13 62.495 . . . . . . . . 485 V CA . 50758 1 474 . 1 . 1 100 100 VAL CB C 13 32.561 . . . . . . . . 485 V CB . 50758 1 475 . 1 . 1 100 100 VAL N N 15 122.057 . . . . . . . . 485 V N . 50758 1 476 . 1 . 1 101 101 ILE H H 1 8.198 . . . . . . . . 486 I H . 50758 1 477 . 1 . 1 101 101 ILE C C 13 176.214 . . . . . . . . 486 I C . 50758 1 478 . 1 . 1 101 101 ILE CA C 13 61.186 . . . . . . . . 486 I CA . 50758 1 479 . 1 . 1 101 101 ILE CB C 13 38.351 . . . . . . . . 486 I CB . 50758 1 480 . 1 . 1 101 101 ILE N N 15 124.686 . . . . . . . . 486 I N . 50758 1 481 . 1 . 1 102 102 GLN H H 1 8.463 . . . . . . . . 487 Q H . 50758 1 482 . 1 . 1 102 102 GLN C C 13 175.259 . . . . . . . . 487 Q C . 50758 1 483 . 1 . 1 102 102 GLN CA C 13 55.694 . . . . . . . . 487 Q CA . 50758 1 484 . 1 . 1 102 102 GLN CB C 13 29.471 . . . . . . . . 487 Q CB . 50758 1 485 . 1 . 1 102 102 GLN N N 15 124.817 . . . . . . . . 487 Q N . 50758 1 486 . 1 . 1 103 103 ASN H H 1 8.433 . . . . . . . . 488 N H . 50758 1 487 . 1 . 1 103 103 ASN C C 13 174.893 . . . . . . . . 488 N C . 50758 1 488 . 1 . 1 103 103 ASN CA C 13 53.023 . . . . . . . . 488 N CA . 50758 1 489 . 1 . 1 103 103 ASN CB C 13 38.855 . . . . . . . . 488 N CB . 50758 1 490 . 1 . 1 103 103 ASN N N 15 120.152 . . . . . . . . 488 N N . 50758 1 491 . 1 . 1 104 104 PHE H H 1 8.371 . . . . . . . . 489 F H . 50758 1 492 . 1 . 1 104 104 PHE C C 13 175.953 . . . . . . . . 489 F C . 50758 1 493 . 1 . 1 104 104 PHE CA C 13 57.879 . . . . . . . . 489 F CA . 50758 1 494 . 1 . 1 104 104 PHE CB C 13 39.417 . . . . . . . . 489 F CB . 50758 1 495 . 1 . 1 104 104 PHE N N 15 121.376 . . . . . . . . 489 F N . 50758 1 496 . 1 . 1 105 105 SER H H 1 8.424 . . . . . . . . 490 S H . 50758 1 497 . 1 . 1 105 105 SER C C 13 174.887 . . . . . . . . 490 S C . 50758 1 498 . 1 . 1 105 105 SER CA C 13 58.556 . . . . . . . . 490 S CA . 50758 1 499 . 1 . 1 105 105 SER CB C 13 63.822 . . . . . . . . 490 S CB . 50758 1 500 . 1 . 1 105 105 SER N N 15 117.764 . . . . . . . . 490 S N . 50758 1 501 . 1 . 1 106 106 GLY H H 1 8.063 . . . . . . . . 491 G H . 50758 1 502 . 1 . 1 106 106 GLY C C 13 174.031 . . . . . . . . 491 G C . 50758 1 503 . 1 . 1 106 106 GLY CA C 13 45.325 . . . . . . . . 491 G CA . 50758 1 504 . 1 . 1 106 106 GLY N N 15 110.842 . . . . . . . . 491 G N . 50758 1 505 . 1 . 1 107 107 SER H H 1 8.294 . . . . . . . . 492 S H . 50758 1 506 . 1 . 1 107 107 SER C C 13 174.586 . . . . . . . . 492 S C . 50758 1 507 . 1 . 1 107 107 SER CA C 13 58.311 . . . . . . . . 492 S CA . 50758 1 508 . 1 . 1 107 107 SER CB C 13 64.049 . . . . . . . . 492 S CB . 50758 1 509 . 1 . 1 107 107 SER N N 15 115.594 . . . . . . . . 492 S N . 50758 1 510 . 1 . 1 108 108 GLY H H 1 8.346 . . . . . . . . 493 G H . 50758 1 511 . 1 . 1 108 108 GLY C C 13 183.007 . . . . . . . . 493 G C . 50758 1 512 . 1 . 1 108 108 GLY CA C 13 44.607 . . . . . . . . 493 G CA . 50758 1 513 . 1 . 1 108 108 GLY N N 15 110.926 . . . . . . . . 493 G N . 50758 1 514 . 1 . 1 109 109 PRO C C 13 177.288 . . . . . . . . 494 P C . 50758 1 515 . 1 . 1 109 109 PRO CA C 13 62.957 . . . . . . . . 494 P CA . 50758 1 516 . 1 . 1 109 109 PRO CB C 13 32.114 . . . . . . . . 494 P CB . 50758 1 517 . 1 . 1 110 110 VAL H H 1 8.458 . . . . . . . . 495 V H . 50758 1 518 . 1 . 1 110 110 VAL C C 13 176.621 . . . . . . . . 495 V C . 50758 1 519 . 1 . 1 110 110 VAL CA C 13 62.641 . . . . . . . . 495 V CA . 50758 1 520 . 1 . 1 110 110 VAL CB C 13 32.391 . . . . . . . . 495 V CB . 50758 1 521 . 1 . 1 110 110 VAL N N 15 120.947 . . . . . . . . 495 V N . 50758 1 522 . 1 . 1 111 111 THR H H 1 8.219 . . . . . . . . 496 T H . 50758 1 523 . 1 . 1 111 111 THR C C 13 175.000 . . . . . . . . 496 T C . 50758 1 524 . 1 . 1 111 111 THR CA C 13 61.941 . . . . . . . . 496 T CA . 50758 1 525 . 1 . 1 111 111 THR CB C 13 69.891 . . . . . . . . 496 T CB . 50758 1 526 . 1 . 1 111 111 THR N N 15 117.514 . . . . . . . . 496 T N . 50758 1 527 . 1 . 1 112 112 GLY H H 1 8.446 . . . . . . . . 497 G H . 50758 1 528 . 1 . 1 112 112 GLY C C 13 173.783 . . . . . . . . 497 G C . 50758 1 529 . 1 . 1 112 112 GLY CA C 13 45.223 . . . . . . . . 497 G CA . 50758 1 530 . 1 . 1 112 112 GLY N N 15 111.171 . . . . . . . . 497 G N . 50758 1 531 . 1 . 1 113 113 ARG H H 1 8.183 . . . . . . . . 498 R H . 50758 1 532 . 1 . 1 113 113 ARG C C 13 176.039 . . . . . . . . 498 R C . 50758 1 533 . 1 . 1 113 113 ARG CA C 13 55.995 . . . . . . . . 498 R CA . 50758 1 534 . 1 . 1 113 113 ARG CB C 13 30.950 . . . . . . . . 498 R CB . 50758 1 535 . 1 . 1 113 113 ARG N N 15 120.496 . . . . . . . . 498 R N . 50758 1 536 . 1 . 1 114 114 LEU H H 1 8.433 . . . . . . . . 499 L H . 50758 1 537 . 1 . 1 114 114 LEU C C 13 177.149 . . . . . . . . 499 L C . 50758 1 538 . 1 . 1 114 114 LEU CA C 13 54.950 . . . . . . . . 499 L CA . 50758 1 539 . 1 . 1 114 114 LEU CB C 13 42.144 . . . . . . . . 499 L CB . 50758 1 540 . 1 . 1 114 114 LEU N N 15 123.978 . . . . . . . . 499 L N . 50758 1 541 . 1 . 1 115 115 ILE H H 1 8.268 . . . . . . . . 500 I H . 50758 1 542 . 1 . 1 115 115 ILE C C 13 176.523 . . . . . . . . 500 I C . 50758 1 543 . 1 . 1 115 115 ILE CA C 13 61.101 . . . . . . . . 500 I CA . 50758 1 544 . 1 . 1 115 115 ILE CB C 13 38.627 . . . . . . . . 500 I CB . 50758 1 545 . 1 . 1 115 115 ILE N N 15 122.802 . . . . . . . . 500 I N . 50758 1 546 . 1 . 1 116 116 GLY H H 1 8.525 . . . . . . . . 501 G H . 50758 1 547 . 1 . 1 116 116 GLY C C 13 173.748 . . . . . . . . 501 G C . 50758 1 548 . 1 . 1 116 116 GLY CA C 13 44.940 . . . . . . . . 501 G CA . 50758 1 549 . 1 . 1 116 116 GLY N N 15 113.133 . . . . . . . . 501 G N . 50758 1 550 . 1 . 1 117 117 THR H H 1 8.182 . . . . . . . . 502 T H . 50758 1 551 . 1 . 1 117 117 THR C C 13 173.016 . . . . . . . . 502 T C . 50758 1 552 . 1 . 1 117 117 THR CA C 13 59.852 . . . . . . . . 502 T CA . 50758 1 553 . 1 . 1 117 117 THR CB C 13 69.734 . . . . . . . . 502 T CB . 50758 1 554 . 1 . 1 117 117 THR N N 15 116.431 . . . . . . . . 502 T N . 50758 1 555 . 1 . 1 118 118 PRO C C 13 177.645 . . . . . . . . 503 P C . 50758 1 556 . 1 . 1 118 118 PRO CA C 13 63.773 . . . . . . . . 503 P CA . 50758 1 557 . 1 . 1 118 118 PRO CB C 13 31.891 . . . . . . . . 503 P CB . 50758 1 558 . 1 . 1 119 119 GLY H H 1 8.618 . . . . . . . . 504 G H . 50758 1 559 . 1 . 1 119 119 GLY C C 13 174.173 . . . . . . . . 504 G C . 50758 1 560 . 1 . 1 119 119 GLY CA C 13 45.293 . . . . . . . . 504 G CA . 50758 1 561 . 1 . 1 119 119 GLY N N 15 109.801 . . . . . . . . 504 G N . 50758 1 562 . 1 . 1 120 120 GLN H H 1 8.230 . . . . . . . . 505 Q H . 50758 1 563 . 1 . 1 120 120 GLN C C 13 176.511 . . . . . . . . 505 Q C . 50758 1 564 . 1 . 1 120 120 GLN CA C 13 55.822 . . . . . . . . 505 Q CA . 50758 1 565 . 1 . 1 120 120 GLN CB C 13 29.532 . . . . . . . . 505 Q CB . 50758 1 566 . 1 . 1 120 120 GLN N N 15 119.568 . . . . . . . . 505 Q N . 50758 1 567 . 1 . 1 121 121 GLY H H 1 8.566 . . . . . . . . 506 G H . 50758 1 568 . 1 . 1 121 121 GLY C C 13 174.208 . . . . . . . . 506 G C . 50758 1 569 . 1 . 1 121 121 GLY CA C 13 45.172 . . . . . . . . 506 G CA . 50758 1 570 . 1 . 1 121 121 GLY N N 15 110.351 . . . . . . . . 506 G N . 50758 1 571 . 1 . 1 122 122 ILE H H 1 8.180 . . . . . . . . 507 I H . 50758 1 572 . 1 . 1 122 122 ILE C C 13 176.594 . . . . . . . . 507 I C . 50758 1 573 . 1 . 1 122 122 ILE CA C 13 61.411 . . . . . . . . 507 I CA . 50758 1 574 . 1 . 1 122 122 ILE CB C 13 38.565 . . . . . . . . 507 I CB . 50758 1 575 . 1 . 1 122 122 ILE N N 15 120.646 . . . . . . . . 507 I N . 50758 1 576 . 1 . 1 123 123 GLN H H 1 8.618 . . . . . . . . 508 Q H . 50758 1 577 . 1 . 1 123 123 GLN C C 13 176.193 . . . . . . . . 508 Q C . 50758 1 578 . 1 . 1 123 123 GLN CA C 13 55.946 . . . . . . . . 508 Q CA . 50758 1 579 . 1 . 1 123 123 GLN CB C 13 29.290 . . . . . . . . 508 Q CB . 50758 1 580 . 1 . 1 123 123 GLN N N 15 124.591 . . . . . . . . 508 Q N . 50758 1 581 . 1 . 1 124 124 SER H H 1 8.445 . . . . . . . . 509 S H . 50758 1 582 . 1 . 1 124 124 SER C C 13 174.882 . . . . . . . . 509 S C . 50758 1 583 . 1 . 1 124 124 SER CA C 13 58.608 . . . . . . . . 509 S CA . 50758 1 584 . 1 . 1 124 124 SER CB C 13 63.687 . . . . . . . . 509 S CB . 50758 1 585 . 1 . 1 124 124 SER N N 15 117.524 . . . . . . . . 509 S N . 50758 1 586 . 1 . 1 125 125 THR H H 1 8.208 . . . . . . . . 510 T H . 50758 1 587 . 1 . 1 125 125 THR C C 13 174.663 . . . . . . . . 510 T C . 50758 1 588 . 1 . 1 125 125 THR CA C 13 62.713 . . . . . . . . 510 T CA . 50758 1 589 . 1 . 1 125 125 THR CB C 13 69.504 . . . . . . . . 510 T CB . 50758 1 590 . 1 . 1 125 125 THR N N 15 116.104 . . . . . . . . 510 T N . 50758 1 591 . 1 . 1 126 126 TYR H H 1 8.143 . . . . . . . . 511 Y H . 50758 1 592 . 1 . 1 126 126 TYR C C 13 175.956 . . . . . . . . 511 Y C . 50758 1 593 . 1 . 1 126 126 TYR CA C 13 58.583 . . . . . . . . 511 Y CA . 50758 1 594 . 1 . 1 126 126 TYR CB C 13 38.533 . . . . . . . . 511 Y CB . 50758 1 595 . 1 . 1 126 126 TYR N N 15 121.970 . . . . . . . . 511 Y N . 50758 1 596 . 1 . 1 127 127 ALA H H 1 8.160 . . . . . . . . 512 A H . 50758 1 597 . 1 . 1 127 127 ALA C C 13 177.787 . . . . . . . . 512 A C . 50758 1 598 . 1 . 1 127 127 ALA CA C 13 52.922 . . . . . . . . 512 A CA . 50758 1 599 . 1 . 1 127 127 ALA CB C 13 19.057 . . . . . . . . 512 A CB . 50758 1 600 . 1 . 1 127 127 ALA N N 15 124.478 . . . . . . . . 512 A N . 50758 1 601 . 1 . 1 128 128 LEU H H 1 8.042 . . . . . . . . 513 L H . 50758 1 602 . 1 . 1 128 128 LEU C C 13 177.862 . . . . . . . . 513 L C . 50758 1 603 . 1 . 1 128 128 LEU CA C 13 55.591 . . . . . . . . 513 L CA . 50758 1 604 . 1 . 1 128 128 LEU CB C 13 42.086 . . . . . . . . 513 L CB . 50758 1 605 . 1 . 1 128 128 LEU N N 15 120.490 . . . . . . . . 513 L N . 50758 1 606 . 1 . 1 129 129 LEU H H 1 8.134 . . . . . . . . 514 L H . 50758 1 607 . 1 . 1 129 129 LEU C C 13 177.667 . . . . . . . . 514 L C . 50758 1 608 . 1 . 1 129 129 LEU CA C 13 55.380 . . . . . . . . 514 L CA . 50758 1 609 . 1 . 1 129 129 LEU CB C 13 42.182 . . . . . . . . 514 L CB . 50758 1 610 . 1 . 1 129 129 LEU N N 15 122.309 . . . . . . . . 514 L N . 50758 1 611 . 1 . 1 130 130 ALA H H 1 8.273 . . . . . . . . 515 A H . 50758 1 612 . 1 . 1 130 130 ALA C C 13 177.882 . . . . . . . . 515 A C . 50758 1 613 . 1 . 1 130 130 ALA CA C 13 52.999 . . . . . . . . 515 A CA . 50758 1 614 . 1 . 1 130 130 ALA CB C 13 18.852 . . . . . . . . 515 A CB . 50758 1 615 . 1 . 1 130 130 ALA N N 15 124.123 . . . . . . . . 515 A N . 50758 1 616 . 1 . 1 131 131 ASN H H 1 8.365 . . . . . . . . 516 N H . 50758 1 617 . 1 . 1 131 131 ASN C C 13 175.626 . . . . . . . . 516 N C . 50758 1 618 . 1 . 1 131 131 ASN CA C 13 53.188 . . . . . . . . 516 N CA . 50758 1 619 . 1 . 1 131 131 ASN CB C 13 38.749 . . . . . . . . 516 N CB . 50758 1 620 . 1 . 1 131 131 ASN N N 15 117.164 . . . . . . . . 516 N N . 50758 1 621 . 1 . 1 132 132 SER H H 1 8.292 . . . . . . . . 517 S H . 50758 1 622 . 1 . 1 132 132 SER C C 13 175.271 . . . . . . . . 517 S C . 50758 1 623 . 1 . 1 132 132 SER CA C 13 58.814 . . . . . . . . 517 S CA . 50758 1 624 . 1 . 1 132 132 SER CB C 13 63.820 . . . . . . . . 517 S CB . 50758 1 625 . 1 . 1 132 132 SER N N 15 115.901 . . . . . . . . 517 S N . 50758 1 626 . 1 . 1 133 133 GLY H H 1 8.520 . . . . . . . . 518 G H . 50758 1 627 . 1 . 1 133 133 GLY C C 13 174.787 . . . . . . . . 518 G C . 50758 1 628 . 1 . 1 133 133 GLY CA C 13 45.578 . . . . . . . . 518 G CA . 50758 1 629 . 1 . 1 133 133 GLY N N 15 110.867 . . . . . . . . 518 G N . 50758 1 630 . 1 . 1 134 134 GLY H H 1 8.280 . . . . . . . . 519 G H . 50758 1 631 . 1 . 1 134 134 GLY C C 13 174.067 . . . . . . . . 519 G C . 50758 1 632 . 1 . 1 134 134 GLY CA C 13 45.191 . . . . . . . . 519 G CA . 50758 1 633 . 1 . 1 134 134 GLY N N 15 108.626 . . . . . . . . 519 G N . 50758 1 634 . 1 . 1 135 135 LEU H H 1 8.137 . . . . . . . . 520 L H . 50758 1 635 . 1 . 1 135 135 LEU C C 13 177.338 . . . . . . . . 520 L C . 50758 1 636 . 1 . 1 135 135 LEU CA C 13 55.234 . . . . . . . . 520 L CA . 50758 1 637 . 1 . 1 135 135 LEU CB C 13 42.354 . . . . . . . . 520 L CB . 50758 1 638 . 1 . 1 135 135 LEU N N 15 121.544 . . . . . . . . 520 L N . 50758 1 639 . 1 . 1 136 136 ARG H H 1 8.416 . . . . . . . . 521 R H . 50758 1 640 . 1 . 1 136 136 ARG C C 13 176.074 . . . . . . . . 521 R C . 50758 1 641 . 1 . 1 136 136 ARG CA C 13 55.856 . . . . . . . . 521 R CA . 50758 1 642 . 1 . 1 136 136 ARG CB C 13 30.488 . . . . . . . . 521 R CB . 50758 1 643 . 1 . 1 136 136 ARG N N 15 122.027 . . . . . . . . 521 R N . 50758 1 644 . 1 . 1 137 137 LEU H H 1 8.338 . . . . . . . . 522 L H . 50758 1 645 . 1 . 1 137 137 LEU C C 13 177.952 . . . . . . . . 522 L C . 50758 1 646 . 1 . 1 137 137 LEU CA C 13 55.331 . . . . . . . . 522 L CA . 50758 1 647 . 1 . 1 137 137 LEU CB C 13 42.287 . . . . . . . . 522 L CB . 50758 1 648 . 1 . 1 137 137 LEU N N 15 123.436 . . . . . . . . 522 L N . 50758 1 649 . 1 . 1 138 138 GLY H H 1 8.556 . . . . . . . . 523 G H . 50758 1 650 . 1 . 1 138 138 GLY C C 13 174.456 . . . . . . . . 523 G C . 50758 1 651 . 1 . 1 138 138 GLY CA C 13 45.306 . . . . . . . . 523 G CA . 50758 1 652 . 1 . 1 138 138 GLY N N 15 109.966 . . . . . . . . 523 G N . 50758 1 653 . 1 . 1 139 139 MET H H 1 8.321 . . . . . . . . 524 M H . 50758 1 654 . 1 . 1 139 139 MET C C 13 177.067 . . . . . . . . 524 M C . 50758 1 655 . 1 . 1 139 139 MET CA C 13 55.514 . . . . . . . . 524 M CA . 50758 1 656 . 1 . 1 139 139 MET CB C 13 32.649 . . . . . . . . 524 M CB . 50758 1 657 . 1 . 1 139 139 MET N N 15 119.670 . . . . . . . . 524 M N . 50758 1 658 . 1 . 1 140 140 GLY H H 1 8.620 . . . . . . . . 525 G H . 50758 1 659 . 1 . 1 140 140 GLY C C 13 174.610 . . . . . . . . 525 G C . 50758 1 660 . 1 . 1 140 140 GLY CA C 13 45.396 . . . . . . . . 525 G CA . 50758 1 661 . 1 . 1 140 140 GLY N N 15 110.123 . . . . . . . . 525 G N . 50758 1 662 . 1 . 1 141 141 GLY H H 1 8.331 . . . . . . . . 526 G H . 50758 1 663 . 1 . 1 141 141 GLY C C 13 174.176 . . . . . . . . 526 G C . 50758 1 664 . 1 . 1 141 141 GLY CA C 13 45.161 . . . . . . . . 526 G CA . 50758 1 665 . 1 . 1 141 141 GLY N N 15 108.670 . . . . . . . . 526 G N . 50758 1 666 . 1 . 1 142 142 LEU H H 1 8.250 . . . . . . . . 527 L H . 50758 1 667 . 1 . 1 142 142 LEU C C 13 177.941 . . . . . . . . 527 L C . 50758 1 668 . 1 . 1 142 142 LEU CA C 13 55.234 . . . . . . . . 527 L CA . 50758 1 669 . 1 . 1 142 142 LEU CB C 13 42.493 . . . . . . . . 527 L CB . 50758 1 670 . 1 . 1 142 142 LEU N N 15 121.617 . . . . . . . . 527 L N . 50758 1 671 . 1 . 1 143 143 THR H H 1 8.317 . . . . . . . . 528 T H . 50758 1 672 . 1 . 1 143 143 THR C C 13 174.740 . . . . . . . . 528 T C . 50758 1 673 . 1 . 1 143 143 THR CA C 13 61.546 . . . . . . . . 528 T CA . 50758 1 674 . 1 . 1 143 143 THR CB C 13 69.938 . . . . . . . . 528 T CB . 50758 1 675 . 1 . 1 143 143 THR N N 15 114.427 . . . . . . . . 528 T N . 50758 1 676 . 1 . 1 144 144 SER H H 1 8.460 . . . . . . . . 529 S H . 50758 1 677 . 1 . 1 144 144 SER C C 13 175.088 . . . . . . . . 529 S C . 50758 1 678 . 1 . 1 144 144 SER CA C 13 58.517 . . . . . . . . 529 S CA . 50758 1 679 . 1 . 1 144 144 SER CB C 13 63.823 . . . . . . . . 529 S CB . 50758 1 680 . 1 . 1 144 144 SER N N 15 117.966 . . . . . . . . 529 S N . 50758 1 681 . 1 . 1 145 145 GLY H H 1 8.589 . . . . . . . . 530 G H . 50758 1 682 . 1 . 1 145 145 GLY C C 13 174.730 . . . . . . . . 530 G C . 50758 1 683 . 1 . 1 145 145 GLY CA C 13 45.374 . . . . . . . . 530 G CA . 50758 1 684 . 1 . 1 145 145 GLY N N 15 111.129 . . . . . . . . 530 G N . 50758 1 685 . 1 . 1 146 146 GLY H H 1 8.349 . . . . . . . . 531 G H . 50758 1 686 . 1 . 1 146 146 GLY C C 13 174.344 . . . . . . . . 531 G C . 50758 1 687 . 1 . 1 146 146 GLY CA C 13 45.182 . . . . . . . . 531 G CA . 50758 1 688 . 1 . 1 146 146 GLY N N 15 108.905 . . . . . . . . 531 G N . 50758 1 689 . 1 . 1 147 147 GLU H H 1 8.541 . . . . . . . . 532 E H . 50758 1 690 . 1 . 1 147 147 GLU C C 13 176.783 . . . . . . . . 532 E C . 50758 1 691 . 1 . 1 147 147 GLU CA C 13 56.772 . . . . . . . . 532 E CA . 50758 1 692 . 1 . 1 147 147 GLU CB C 13 30.099 . . . . . . . . 532 E CB . 50758 1 693 . 1 . 1 147 147 GLU N N 15 120.837 . . . . . . . . 532 E N . 50758 1 694 . 1 . 1 148 148 SER H H 1 8.479 . . . . . . . . 533 S H . 50758 1 695 . 1 . 1 148 148 SER C C 13 174.303 . . . . . . . . 533 S C . 50758 1 696 . 1 . 1 148 148 SER CA C 13 58.414 . . . . . . . . 533 S CA . 50758 1 697 . 1 . 1 148 148 SER CB C 13 63.769 . . . . . . . . 533 S CB . 50758 1 698 . 1 . 1 148 148 SER N N 15 116.905 . . . . . . . . 533 S N . 50758 1 699 . 1 . 1 149 149 ALA H H 1 8.401 . . . . . . . . 534 A H . 50758 1 700 . 1 . 1 149 149 ALA C C 13 177.799 . . . . . . . . 534 A C . 50758 1 701 . 1 . 1 149 149 ALA CA C 13 52.537 . . . . . . . . 534 A CA . 50758 1 702 . 1 . 1 149 149 ALA CB C 13 19.202 . . . . . . . . 534 A CB . 50758 1 703 . 1 . 1 149 149 ALA N N 15 126.371 . . . . . . . . 534 A N . 50758 1 704 . 1 . 1 150 150 VAL H H 1 8.178 . . . . . . . . 535 V H . 50758 1 705 . 1 . 1 150 150 VAL C C 13 176.358 . . . . . . . . 535 V C . 50758 1 706 . 1 . 1 150 150 VAL CA C 13 62.290 . . . . . . . . 535 V CA . 50758 1 707 . 1 . 1 150 150 VAL CB C 13 32.692 . . . . . . . . 535 V CB . 50758 1 708 . 1 . 1 150 150 VAL N N 15 119.315 . . . . . . . . 535 V N . 50758 1 709 . 1 . 1 151 151 SER H H 1 8.464 . . . . . . . . 536 S H . 50758 1 710 . 1 . 1 151 151 SER C C 13 174.693 . . . . . . . . 536 S C . 50758 1 711 . 1 . 1 151 151 SER CA C 13 58.209 . . . . . . . . 536 S CA . 50758 1 712 . 1 . 1 151 151 SER CB C 13 63.856 . . . . . . . . 536 S CB . 50758 1 713 . 1 . 1 151 151 SER N N 15 119.705 . . . . . . . . 536 S N . 50758 1 714 . 1 . 1 152 152 SER H H 1 8.481 . . . . . . . . 537 S H . 50758 1 715 . 1 . 1 152 152 SER C C 13 174.565 . . . . . . . . 537 S C . 50758 1 716 . 1 . 1 152 152 SER CA C 13 58.363 . . . . . . . . 537 S CA . 50758 1 717 . 1 . 1 152 152 SER CB C 13 63.759 . . . . . . . . 537 S CB . 50758 1 718 . 1 . 1 152 152 SER N N 15 118.622 . . . . . . . . 537 S N . 50758 1 719 . 1 . 1 153 153 VAL H H 1 8.179 . . . . . . . . 538 V H . 50758 1 720 . 1 . 1 153 153 VAL C C 13 175.956 . . . . . . . . 538 V C . 50758 1 721 . 1 . 1 153 153 VAL CA C 13 62.597 . . . . . . . . 538 V CA . 50758 1 722 . 1 . 1 153 153 VAL CB C 13 32.488 . . . . . . . . 538 V CB . 50758 1 723 . 1 . 1 153 153 VAL N N 15 121.508 . . . . . . . . 538 V N . 50758 1 724 . 1 . 1 154 154 ASN H H 1 8.484 . . . . . . . . 539 N H . 50758 1 725 . 1 . 1 154 154 ASN C C 13 174.575 . . . . . . . . 539 N C . 50758 1 726 . 1 . 1 154 154 ASN CA C 13 53.061 . . . . . . . . 539 N CA . 50758 1 727 . 1 . 1 154 154 ASN CB C 13 38.909 . . . . . . . . 539 N CB . 50758 1 728 . 1 . 1 154 154 ASN N N 15 122.224 . . . . . . . . 539 N N . 50758 1 729 . 1 . 1 155 155 ALA H H 1 8.238 . . . . . . . . 540 A H . 50758 1 730 . 1 . 1 155 155 ALA C C 13 176.960 . . . . . . . . 540 A C . 50758 1 731 . 1 . 1 155 155 ALA CA C 13 52.152 . . . . . . . . 540 A CA . 50758 1 732 . 1 . 1 155 155 ALA CB C 13 19.290 . . . . . . . . 540 A CB . 50758 1 733 . 1 . 1 155 155 ALA N N 15 124.823 . . . . . . . . 540 A N . 50758 1 734 . 1 . 1 156 156 ALA H H 1 8.355 . . . . . . . . 541 A H . 50758 1 735 . 1 . 1 156 156 ALA C C 13 175.460 . . . . . . . . 541 A C . 50758 1 736 . 1 . 1 156 156 ALA CA C 13 50.381 . . . . . . . . 541 A CA . 50758 1 737 . 1 . 1 156 156 ALA CB C 13 17.926 . . . . . . . . 541 A CB . 50758 1 738 . 1 . 1 156 156 ALA N N 15 125.192 . . . . . . . . 541 A N . 50758 1 739 . 1 . 1 157 157 PRO C C 13 176.842 . . . . . . . . 542 P C . 50758 1 740 . 1 . 1 157 157 PRO CA C 13 62.967 . . . . . . . . 542 P CA . 50758 1 741 . 1 . 1 157 157 PRO CB C 13 31.997 . . . . . . . . 542 P CB . 50758 1 742 . 1 . 1 158 158 THR H H 1 8.447 . . . . . . . . 543 T H . 50758 1 743 . 1 . 1 158 158 THR C C 13 173.016 . . . . . . . . 543 T C . 50758 1 744 . 1 . 1 158 158 THR CA C 13 59.929 . . . . . . . . 543 T CA . 50758 1 745 . 1 . 1 158 158 THR CB C 13 69.775 . . . . . . . . 543 T CB . 50758 1 746 . 1 . 1 158 158 THR N N 15 117.742 . . . . . . . . 543 T N . 50758 1 747 . 1 . 1 159 159 PRO C C 13 177.090 . . . . . . . . 544 P C . 50758 1 748 . 1 . 1 159 159 PRO CA C 13 63.344 . . . . . . . . 544 P CA . 50758 1 749 . 1 . 1 159 159 PRO CB C 13 32.116 . . . . . . . . 544 P CB . 50758 1 750 . 1 . 1 160 160 GLY H H 1 8.357 . . . . . . . . 545 G H . 50758 1 751 . 1 . 1 160 160 GLY C C 13 183.102 . . . . . . . . 545 G C . 50758 1 752 . 1 . 1 160 160 GLY CA C 13 44.376 . . . . . . . . 545 G CA . 50758 1 753 . 1 . 1 160 160 GLY N N 15 109.683 . . . . . . . . 545 G N . 50758 1 754 . 1 . 1 161 161 PRO C C 13 176.948 . . . . . . . . 546 P C . 50758 1 755 . 1 . 1 161 161 PRO CA C 13 62.885 . . . . . . . . 546 P CA . 50758 1 756 . 1 . 1 161 161 PRO CB C 13 32.094 . . . . . . . . 546 P CB . 50758 1 757 . 1 . 1 162 162 VAL H H 1 8.326 . . . . . . . . 547 V H . 50758 1 758 . 1 . 1 162 162 VAL C C 13 175.996 . . . . . . . . 547 V C . 50758 1 759 . 1 . 1 162 162 VAL CA C 13 62.433 . . . . . . . . 547 V CA . 50758 1 760 . 1 . 1 162 162 VAL CB C 13 32.600 . . . . . . . . 547 V CB . 50758 1 761 . 1 . 1 162 162 VAL N N 15 121.192 . . . . . . . . 547 V N . 50758 1 762 . 1 . 1 163 163 ARG H H 1 8.393 . . . . . . . . 548 R H . 50758 1 763 . 1 . 1 163 163 ARG C C 13 175.395 . . . . . . . . 548 R C . 50758 1 764 . 1 . 1 163 163 ARG CA C 13 55.668 . . . . . . . . 548 R CA . 50758 1 765 . 1 . 1 163 163 ARG CB C 13 31.119 . . . . . . . . 548 R CB . 50758 1 766 . 1 . 1 163 163 ARG N N 15 125.629 . . . . . . . . 548 R N . 50758 1 767 . 1 . 1 164 164 PHE H H 1 8.304 . . . . . . . . 549 F H . 50758 1 768 . 1 . 1 164 164 PHE C C 13 175.230 . . . . . . . . 549 F C . 50758 1 769 . 1 . 1 164 164 PHE CA C 13 57.488 . . . . . . . . 549 F CA . 50758 1 770 . 1 . 1 164 164 PHE CB C 13 39.868 . . . . . . . . 549 F CB . 50758 1 771 . 1 . 1 164 164 PHE N N 15 121.016 . . . . . . . . 549 F N . 50758 1 772 . 1 . 1 165 165 VAL H H 1 8.068 . . . . . . . . 550 V H . 50758 1 773 . 1 . 1 165 165 VAL C C 13 175.180 . . . . . . . . 550 V C . 50758 1 774 . 1 . 1 165 165 VAL CA C 13 61.844 . . . . . . . . 550 V CA . 50758 1 775 . 1 . 1 165 165 VAL CB C 13 33.063 . . . . . . . . 550 V CB . 50758 1 776 . 1 . 1 165 165 VAL N N 15 122.984 . . . . . . . . 550 V N . 50758 1 777 . 1 . 1 166 166 TRP H H 1 8.262 . . . . . . . . 551 W H . 50758 1 778 . 1 . 1 166 166 TRP C C 13 175.992 . . . . . . . . 551 W C . 50758 1 779 . 1 . 1 166 166 TRP CA C 13 57.280 . . . . . . . . 551 W CA . 50758 1 780 . 1 . 1 166 166 TRP CB C 13 29.717 . . . . . . . . 551 W CB . 50758 1 781 . 1 . 1 166 166 TRP N N 15 125.265 . . . . . . . . 551 W N . 50758 1 782 . 1 . 1 167 167 SER H H 1 8.012 . . . . . . . . 552 S H . 50758 1 783 . 1 . 1 167 167 SER C C 13 173.231 . . . . . . . . 552 S C . 50758 1 784 . 1 . 1 167 167 SER CA C 13 57.942 . . . . . . . . 552 S CA . 50758 1 785 . 1 . 1 167 167 SER CB C 13 63.827 . . . . . . . . 552 S CB . 50758 1 786 . 1 . 1 167 167 SER N N 15 117.801 . . . . . . . . 552 S N . 50758 1 787 . 1 . 1 168 168 HIS H H 1 8.195 . . . . . . . . 553 H H . 50758 1 788 . 1 . 1 168 168 HIS C C 13 173.319 . . . . . . . . 553 H C . 50758 1 789 . 1 . 1 168 168 HIS CA C 13 54.315 . . . . . . . . 553 H CA . 50758 1 790 . 1 . 1 168 168 HIS CB C 13 30.045 . . . . . . . . 553 H CB . 50758 1 791 . 1 . 1 168 168 HIS N N 15 122.287 . . . . . . . . 553 H N . 50758 1 792 . 1 . 1 169 169 PRO C C 13 176.819 . . . . . . . . 554 P C . 50758 1 793 . 1 . 1 169 169 PRO CA C 13 63.419 . . . . . . . . 554 P CA . 50758 1 794 . 1 . 1 169 169 PRO CB C 13 32.052 . . . . . . . . 554 P CB . 50758 1 795 . 1 . 1 170 170 GLN H H 1 8.803 . . . . . . . . 555 Q H . 50758 1 796 . 1 . 1 170 170 GLN C C 13 175.614 . . . . . . . . 555 Q C . 50758 1 797 . 1 . 1 170 170 GLN CA C 13 55.897 . . . . . . . . 555 Q CA . 50758 1 798 . 1 . 1 170 170 GLN CB C 13 29.370 . . . . . . . . 555 Q CB . 50758 1 799 . 1 . 1 170 170 GLN N N 15 120.903 . . . . . . . . 555 Q N . 50758 1 800 . 1 . 1 171 171 PHE H H 1 8.245 . . . . . . . . 556 F H . 50758 1 801 . 1 . 1 171 171 PHE C C 13 175.457 . . . . . . . . 556 F C . 50758 1 802 . 1 . 1 171 171 PHE CA C 13 57.465 . . . . . . . . 556 F CA . 50758 1 803 . 1 . 1 171 171 PHE CB C 13 39.682 . . . . . . . . 556 F CB . 50758 1 804 . 1 . 1 171 171 PHE N N 15 120.739 . . . . . . . . 556 F N . 50758 1 805 . 1 . 1 172 172 GLU H H 1 8.363 . . . . . . . . 557 E H . 50758 1 806 . 1 . 1 172 172 GLU C C 13 175.153 . . . . . . . . 557 E C . 50758 1 807 . 1 . 1 172 172 GLU CA C 13 56.443 . . . . . . . . 557 E CA . 50758 1 808 . 1 . 1 172 172 GLU CB C 13 30.421 . . . . . . . . 557 E CB . 50758 1 809 . 1 . 1 172 172 GLU N N 15 123.014 . . . . . . . . 557 E N . 50758 1 810 . 1 . 1 173 173 LYS H H 1 7.988 . . . . . . . . 558 K H . 50758 1 811 . 1 . 1 173 173 LYS C C 13 181.252 . . . . . . . . 558 K C . 50758 1 812 . 1 . 1 173 173 LYS CA C 13 57.722 . . . . . . . . 558 K CA . 50758 1 813 . 1 . 1 173 173 LYS CB C 13 33.554 . . . . . . . . 558 K CB . 50758 1 814 . 1 . 1 173 173 LYS N N 15 127.448 . . . . . . . . 558 K N . 50758 1 stop_ save_