data_27029 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27029 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignment for Human TRPV1 Sensing Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-02-09 _Entry.Accession_date 2017-02-09 _Entry.Last_release_date 2017-02-10 _Entry.Original_release_date 2017-02-10 _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 . _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 Minjoo Kim . . . . 27029 2 Nicholas Sisco . J. . . 27029 3 Wade 'Van Horn' . D. . . 27029 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Arizona State University' . 27029 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27029 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 328 27029 '15N chemical shifts' 118 27029 '1H chemical shifts' 117 27029 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 . . 2021-11-17 . original BMRB . 27029 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 27029 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32820172 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Evidence that the TRPV1 S1-S4 membrane domain contributes to thermosensing ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 11 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 4169 _Citation.Page_last 4169 _Citation.Year 2020 _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 Minjoo Kim M. . . . 27029 1 2 Nicholas Sisco N. J. . . 27029 1 3 Jacob Hilton J. K. . . 27029 1 4 Camila Montano C. M. . . 27029 1 5 Manuel Castro M. A. . . 27029 1 6 Brian Cherry B. R. . . 27029 1 7 Marcia Levitus M. . . . 27029 1 8 Wade 'Van Horn' W. D. . . 27029 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27029 _Assembly.ID 1 _Assembly.Name 'hV1-SD monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _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 'hV1-SD monomer' 1 $hV1-SD A . yes na no no . . . 27029 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hV1-SD _Entity.Sf_category entity _Entity.Sf_framecode hV1-SD _Entity.Entry_ID 27029 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hV1-SD _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 ; GSPLNRLLQDKWDRFVKRIF YFNFLVYCLYMIIFTMAAYY RPVDGLPPFKMEKTGDYFRV TGEILSVLGGVYFFFRGIQY FLQRRPSMKTLFVDSYSEML FFLQSLFMLATVVLYFSHLK EYVASMVFSLALGWTNMLYY TRG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 143 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 Q8NER1 . TRPV1_HUMAN . . . . . . . . . . . . . . 27029 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Capsaicin receptor' 27029 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 1 416 GLY . 27029 1 2 417 SER . 27029 1 3 418 PRO . 27029 1 4 419 LEU . 27029 1 5 420 ASN . 27029 1 6 421 ARG . 27029 1 7 422 LEU . 27029 1 8 423 LEU . 27029 1 9 424 GLN . 27029 1 10 425 ASP . 27029 1 11 426 LYS . 27029 1 12 427 TRP . 27029 1 13 428 ASP . 27029 1 14 429 ARG . 27029 1 15 430 PHE . 27029 1 16 431 VAL . 27029 1 17 432 LYS . 27029 1 18 433 ARG . 27029 1 19 434 ILE . 27029 1 20 435 PHE . 27029 1 21 436 TYR . 27029 1 22 437 PHE . 27029 1 23 438 ASN . 27029 1 24 439 PHE . 27029 1 25 440 LEU . 27029 1 26 441 VAL . 27029 1 27 442 TYR . 27029 1 28 443 CYS . 27029 1 29 444 LEU . 27029 1 30 445 TYR . 27029 1 31 446 MET . 27029 1 32 447 ILE . 27029 1 33 448 ILE . 27029 1 34 449 PHE . 27029 1 35 450 THR . 27029 1 36 451 MET . 27029 1 37 452 ALA . 27029 1 38 453 ALA . 27029 1 39 454 TYR . 27029 1 40 455 TYR . 27029 1 41 456 ARG . 27029 1 42 457 PRO . 27029 1 43 458 VAL . 27029 1 44 459 ASP . 27029 1 45 460 GLY . 27029 1 46 461 LEU . 27029 1 47 462 PRO . 27029 1 48 463 PRO . 27029 1 49 464 PHE . 27029 1 50 465 LYS . 27029 1 51 466 MET . 27029 1 52 467 GLU . 27029 1 53 468 LYS . 27029 1 54 469 THR . 27029 1 55 470 GLY . 27029 1 56 471 ASP . 27029 1 57 472 TYR . 27029 1 58 473 PHE . 27029 1 59 474 ARG . 27029 1 60 475 VAL . 27029 1 61 476 THR . 27029 1 62 477 GLY . 27029 1 63 478 GLU . 27029 1 64 479 ILE . 27029 1 65 480 LEU . 27029 1 66 481 SER . 27029 1 67 482 VAL . 27029 1 68 483 LEU . 27029 1 69 484 GLY . 27029 1 70 485 GLY . 27029 1 71 486 VAL . 27029 1 72 487 TYR . 27029 1 73 488 PHE . 27029 1 74 489 PHE . 27029 1 75 490 PHE . 27029 1 76 491 ARG . 27029 1 77 492 GLY . 27029 1 78 493 ILE . 27029 1 79 494 GLN . 27029 1 80 495 TYR . 27029 1 81 496 PHE . 27029 1 82 497 LEU . 27029 1 83 498 GLN . 27029 1 84 499 ARG . 27029 1 85 500 ARG . 27029 1 86 501 PRO . 27029 1 87 502 SER . 27029 1 88 503 MET . 27029 1 89 504 LYS . 27029 1 90 505 THR . 27029 1 91 506 LEU . 27029 1 92 507 PHE . 27029 1 93 508 VAL . 27029 1 94 509 ASP . 27029 1 95 510 SER . 27029 1 96 511 TYR . 27029 1 97 512 SER . 27029 1 98 513 GLU . 27029 1 99 514 MET . 27029 1 100 515 LEU . 27029 1 101 516 PHE . 27029 1 102 517 PHE . 27029 1 103 518 LEU . 27029 1 104 519 GLN . 27029 1 105 520 SER . 27029 1 106 521 LEU . 27029 1 107 522 PHE . 27029 1 108 523 MET . 27029 1 109 524 LEU . 27029 1 110 525 ALA . 27029 1 111 526 THR . 27029 1 112 527 VAL . 27029 1 113 528 VAL . 27029 1 114 529 LEU . 27029 1 115 530 TYR . 27029 1 116 531 PHE . 27029 1 117 532 SER . 27029 1 118 533 HIS . 27029 1 119 534 LEU . 27029 1 120 535 LYS . 27029 1 121 536 GLU . 27029 1 122 537 TYR . 27029 1 123 538 VAL . 27029 1 124 539 ALA . 27029 1 125 540 SER . 27029 1 126 541 MET . 27029 1 127 542 VAL . 27029 1 128 543 PHE . 27029 1 129 544 SER . 27029 1 130 545 LEU . 27029 1 131 546 ALA . 27029 1 132 547 LEU . 27029 1 133 548 GLY . 27029 1 134 549 TRP . 27029 1 135 550 THR . 27029 1 136 551 ASN . 27029 1 137 552 MET . 27029 1 138 553 LEU . 27029 1 139 554 TYR . 27029 1 140 555 TYR . 27029 1 141 556 THR . 27029 1 142 557 ARG . 27029 1 143 558 GLY . 27029 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 27029 1 . SER 2 2 27029 1 . PRO 3 3 27029 1 . LEU 4 4 27029 1 . ASN 5 5 27029 1 . ARG 6 6 27029 1 . LEU 7 7 27029 1 . LEU 8 8 27029 1 . GLN 9 9 27029 1 . ASP 10 10 27029 1 . LYS 11 11 27029 1 . TRP 12 12 27029 1 . ASP 13 13 27029 1 . ARG 14 14 27029 1 . PHE 15 15 27029 1 . VAL 16 16 27029 1 . LYS 17 17 27029 1 . ARG 18 18 27029 1 . ILE 19 19 27029 1 . PHE 20 20 27029 1 . TYR 21 21 27029 1 . PHE 22 22 27029 1 . ASN 23 23 27029 1 . PHE 24 24 27029 1 . LEU 25 25 27029 1 . VAL 26 26 27029 1 . TYR 27 27 27029 1 . CYS 28 28 27029 1 . LEU 29 29 27029 1 . TYR 30 30 27029 1 . MET 31 31 27029 1 . ILE 32 32 27029 1 . ILE 33 33 27029 1 . PHE 34 34 27029 1 . THR 35 35 27029 1 . MET 36 36 27029 1 . ALA 37 37 27029 1 . ALA 38 38 27029 1 . TYR 39 39 27029 1 . TYR 40 40 27029 1 . ARG 41 41 27029 1 . PRO 42 42 27029 1 . VAL 43 43 27029 1 . ASP 44 44 27029 1 . GLY 45 45 27029 1 . LEU 46 46 27029 1 . PRO 47 47 27029 1 . PRO 48 48 27029 1 . PHE 49 49 27029 1 . LYS 50 50 27029 1 . MET 51 51 27029 1 . GLU 52 52 27029 1 . LYS 53 53 27029 1 . THR 54 54 27029 1 . GLY 55 55 27029 1 . ASP 56 56 27029 1 . TYR 57 57 27029 1 . PHE 58 58 27029 1 . ARG 59 59 27029 1 . VAL 60 60 27029 1 . THR 61 61 27029 1 . GLY 62 62 27029 1 . GLU 63 63 27029 1 . ILE 64 64 27029 1 . LEU 65 65 27029 1 . SER 66 66 27029 1 . VAL 67 67 27029 1 . LEU 68 68 27029 1 . GLY 69 69 27029 1 . GLY 70 70 27029 1 . VAL 71 71 27029 1 . TYR 72 72 27029 1 . PHE 73 73 27029 1 . PHE 74 74 27029 1 . PHE 75 75 27029 1 . ARG 76 76 27029 1 . GLY 77 77 27029 1 . ILE 78 78 27029 1 . GLN 79 79 27029 1 . TYR 80 80 27029 1 . PHE 81 81 27029 1 . LEU 82 82 27029 1 . GLN 83 83 27029 1 . ARG 84 84 27029 1 . ARG 85 85 27029 1 . PRO 86 86 27029 1 . SER 87 87 27029 1 . MET 88 88 27029 1 . LYS 89 89 27029 1 . THR 90 90 27029 1 . LEU 91 91 27029 1 . PHE 92 92 27029 1 . VAL 93 93 27029 1 . ASP 94 94 27029 1 . SER 95 95 27029 1 . TYR 96 96 27029 1 . SER 97 97 27029 1 . GLU 98 98 27029 1 . MET 99 99 27029 1 . LEU 100 100 27029 1 . PHE 101 101 27029 1 . PHE 102 102 27029 1 . LEU 103 103 27029 1 . GLN 104 104 27029 1 . SER 105 105 27029 1 . LEU 106 106 27029 1 . PHE 107 107 27029 1 . MET 108 108 27029 1 . LEU 109 109 27029 1 . ALA 110 110 27029 1 . THR 111 111 27029 1 . VAL 112 112 27029 1 . VAL 113 113 27029 1 . LEU 114 114 27029 1 . TYR 115 115 27029 1 . PHE 116 116 27029 1 . SER 117 117 27029 1 . HIS 118 118 27029 1 . LEU 119 119 27029 1 . LYS 120 120 27029 1 . GLU 121 121 27029 1 . TYR 122 122 27029 1 . VAL 123 123 27029 1 . ALA 124 124 27029 1 . SER 125 125 27029 1 . MET 126 126 27029 1 . VAL 127 127 27029 1 . PHE 128 128 27029 1 . SER 129 129 27029 1 . LEU 130 130 27029 1 . ALA 131 131 27029 1 . LEU 132 132 27029 1 . GLY 133 133 27029 1 . TRP 134 134 27029 1 . THR 135 135 27029 1 . ASN 136 136 27029 1 . MET 137 137 27029 1 . LEU 138 138 27029 1 . TYR 139 139 27029 1 . TYR 140 140 27029 1 . THR 141 141 27029 1 . ARG 142 142 27029 1 . GLY 143 143 27029 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27029 _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 $hV1-SD . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27029 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27029 _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 $hV1-SD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET16b . . . 27029 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27029 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'hV1-SD is purified in LPPG micelles.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 hV1-SD '[U-100% 13C; U-100% 15N]' . . 1 $hV1-SD . . 0.9 . . mM . . . . 27029 1 2 LPPG 'natural abundance' . . . . . . 2.5 . . '% w/v' . . . . 27029 1 3 'sodium phosphate' 'natural abundance' . . . . . . 2.5 . . mM . . . . 27029 1 4 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 27029 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 27029 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 27029 1 pressure 1 . atm 27029 1 temperature 273 . K 27029 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 27029 _Software.ID 1 _Software.Type . _Software.Name CCPN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . http://www.ccpn.ac.uk/ 27029 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 27029 1 'data analysis' . 27029 1 'peak picking' . 27029 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27029 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . https://spin.niddk.nih.gov/NMRPipe/ 27029 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 27029 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27029 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . https://www.bruker.com/products/mr/nmr/nmr-software/software/topspin/overview.html 27029 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 27029 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27029 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27029 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 850 . . . 27029 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27029 _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 $spectrometer_1 . . . . . . . . . . . . . . . . . 27029 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27029 1 3 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27029 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27029 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27029 1 6 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27029 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27029 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27029 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27029 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27029 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27029 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27029 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _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' . . . 27029 1 2 '3D HNCA' . . . 27029 1 3 '3D HN(CO)CA' . . . 27029 1 4 '3D HNCACB' . . . 27029 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 SER H H 1 7.909 0.002 . 1 . . . . . 417 SER H . 27029 1 2 . 1 . 1 2 2 SER CA C 13 62.922 0.000 . 1 . . . . . 417 SER CA . 27029 1 3 . 1 . 1 2 2 SER N N 15 113.628 0.028 . 1 . . . . . 417 SER N . 27029 1 4 . 1 . 1 3 3 PRO C C 13 176.092 0.000 . 1 . . . . . 418 PRO C . 27029 1 5 . 1 . 1 3 3 PRO CA C 13 64.446 0.000 . 1 . . . . . 418 PRO CA . 27029 1 6 . 1 . 1 3 3 PRO CB C 13 32.370 0.000 . 1 . . . . . 418 PRO CB . 27029 1 7 . 1 . 1 4 4 LEU H H 1 8.136 0.006 . 1 . . . . . 419 LEU H . 27029 1 8 . 1 . 1 4 4 LEU C C 13 176.106 0.000 . 1 . . . . . 419 LEU C . 27029 1 9 . 1 . 1 4 4 LEU CA C 13 57.404 0.000 . 1 . . . . . 419 LEU CA . 27029 1 10 . 1 . 1 4 4 LEU CB C 13 41.993 0.000 . 1 . . . . . 419 LEU CB . 27029 1 11 . 1 . 1 4 4 LEU N N 15 119.037 0.039 . 1 . . . . . 419 LEU N . 27029 1 12 . 1 . 1 5 5 ASN H H 1 7.960 0.003 . 1 . . . . . 420 ASN H . 27029 1 13 . 1 . 1 5 5 ASN C C 13 176.893 0.000 . 1 . . . . . 420 ASN C . 27029 1 14 . 1 . 1 5 5 ASN CA C 13 56.486 0.000 . 1 . . . . . 420 ASN CA . 27029 1 15 . 1 . 1 5 5 ASN CB C 13 38.293 0.000 . 1 . . . . . 420 ASN CB . 27029 1 16 . 1 . 1 5 5 ASN N N 15 116.967 0.053 . 1 . . . . . 420 ASN N . 27029 1 17 . 1 . 1 6 6 ARG H H 1 7.870 0.003 . 1 . . . . . 421 ARG H . 27029 1 18 . 1 . 1 6 6 ARG C C 13 175.928 0.000 . 1 . . . . . 421 ARG C . 27029 1 19 . 1 . 1 6 6 ARG CA C 13 58.481 0.000 . 1 . . . . . 421 ARG CA . 27029 1 20 . 1 . 1 6 6 ARG CB C 13 30.143 0.000 . 1 . . . . . 421 ARG CB . 27029 1 21 . 1 . 1 6 6 ARG N N 15 119.196 0.035 . 1 . . . . . 421 ARG N . 27029 1 22 . 1 . 1 7 7 LEU H H 1 7.763 0.003 . 1 . . . . . 422 LEU H . 27029 1 23 . 1 . 1 7 7 LEU C C 13 175.454 0.000 . 1 . . . . . 422 LEU C . 27029 1 24 . 1 . 1 7 7 LEU CA C 13 57.766 0.000 . 1 . . . . . 422 LEU CA . 27029 1 25 . 1 . 1 7 7 LEU CB C 13 42.557 0.000 . 1 . . . . . 422 LEU CB . 27029 1 26 . 1 . 1 7 7 LEU N N 15 119.945 0.033 . 1 . . . . . 422 LEU N . 27029 1 27 . 1 . 1 8 8 LEU H H 1 7.964 0.002 . 1 . . . . . 423 LEU H . 27029 1 28 . 1 . 1 8 8 LEU C C 13 175.709 0.000 . 1 . . . . . 423 LEU C . 27029 1 29 . 1 . 1 8 8 LEU CA C 13 57.024 0.000 . 1 . . . . . 423 LEU CA . 27029 1 30 . 1 . 1 8 8 LEU N N 15 117.189 0.055 . 1 . . . . . 423 LEU N . 27029 1 31 . 1 . 1 9 9 GLN H H 1 8.062 0.003 . 1 . . . . . 424 GLN H . 27029 1 32 . 1 . 1 9 9 GLN C C 13 176.420 0.000 . 1 . . . . . 424 GLN C . 27029 1 33 . 1 . 1 9 9 GLN CA C 13 58.945 0.000 . 1 . . . . . 424 GLN CA . 27029 1 34 . 1 . 1 9 9 GLN CB C 13 28.902 0.000 . 1 . . . . . 424 GLN CB . 27029 1 35 . 1 . 1 9 9 GLN N N 15 118.847 0.054 . 1 . . . . . 424 GLN N . 27029 1 36 . 1 . 1 10 10 ASP H H 1 8.384 0.002 . 1 . . . . . 425 ASP H . 27029 1 37 . 1 . 1 10 10 ASP C C 13 175.895 0.003 . 1 . . . . . 425 ASP C . 27029 1 38 . 1 . 1 10 10 ASP CA C 13 56.858 0.000 . 1 . . . . . 425 ASP CA . 27029 1 39 . 1 . 1 10 10 ASP CB C 13 41.389 0.000 . 1 . . . . . 425 ASP CB . 27029 1 40 . 1 . 1 10 10 ASP N N 15 119.058 0.083 . 1 . . . . . 425 ASP N . 27029 1 41 . 1 . 1 11 11 LYS H H 1 8.060 0.003 . 1 . . . . . 426 LYS H . 27029 1 42 . 1 . 1 11 11 LYS C C 13 175.628 0.039 . 1 . . . . . 426 LYS C . 27029 1 43 . 1 . 1 11 11 LYS CA C 13 57.906 0.000 . 1 . . . . . 426 LYS CA . 27029 1 44 . 1 . 1 11 11 LYS CB C 13 32.534 0.000 . 1 . . . . . 426 LYS CB . 27029 1 45 . 1 . 1 11 11 LYS N N 15 117.489 0.054 . 1 . . . . . 426 LYS N . 27029 1 46 . 1 . 1 12 12 TRP H H 1 8.384 0.005 . 1 . . . . . 427 TRP H . 27029 1 47 . 1 . 1 12 12 TRP C C 13 176.804 0.000 . 1 . . . . . 427 TRP C . 27029 1 48 . 1 . 1 12 12 TRP CA C 13 60.163 0.000 . 1 . . . . . 427 TRP CA . 27029 1 49 . 1 . 1 12 12 TRP CB C 13 29.848 0.000 . 1 . . . . . 427 TRP CB . 27029 1 50 . 1 . 1 12 12 TRP N N 15 121.228 0.042 . 1 . . . . . 427 TRP N . 27029 1 51 . 1 . 1 13 13 ASP H H 1 8.037 0.008 . 1 . . . . . 428 ASP H . 27029 1 52 . 1 . 1 13 13 ASP C C 13 176.402 0.000 . 1 . . . . . 428 ASP C . 27029 1 53 . 1 . 1 13 13 ASP CA C 13 58.589 0.000 . 1 . . . . . 428 ASP CA . 27029 1 54 . 1 . 1 13 13 ASP N N 15 121.294 0.070 . 1 . . . . . 428 ASP N . 27029 1 55 . 1 . 1 14 14 ARG H H 1 8.415 0.005 . 1 . . . . . 429 ARG H . 27029 1 56 . 1 . 1 14 14 ARG C C 13 176.682 0.000 . 1 . . . . . 429 ARG C . 27029 1 57 . 1 . 1 14 14 ARG CA C 13 61.724 0.000 . 1 . . . . . 429 ARG CA . 27029 1 58 . 1 . 1 14 14 ARG N N 15 119.136 0.054 . 1 . . . . . 429 ARG N . 27029 1 59 . 1 . 1 15 15 PHE H H 1 8.157 0.003 . 1 . . . . . 430 PHE H . 27029 1 60 . 1 . 1 15 15 PHE C C 13 176.538 0.000 . 1 . . . . . 430 PHE C . 27029 1 61 . 1 . 1 15 15 PHE CA C 13 58.005 0.000 . 1 . . . . . 430 PHE CA . 27029 1 62 . 1 . 1 15 15 PHE N N 15 117.602 0.126 . 1 . . . . . 430 PHE N . 27029 1 63 . 1 . 1 16 16 VAL H H 1 7.531 0.003 . 1 . . . . . 431 VAL H . 27029 1 64 . 1 . 1 16 16 VAL C C 13 177.955 0.000 . 1 . . . . . 431 VAL C . 27029 1 65 . 1 . 1 16 16 VAL CA C 13 55.965 0.000 . 1 . . . . . 431 VAL CA . 27029 1 66 . 1 . 1 16 16 VAL CB C 13 30.404 0.000 . 1 . . . . . 431 VAL CB . 27029 1 67 . 1 . 1 16 16 VAL N N 15 117.651 0.058 . 1 . . . . . 431 VAL N . 27029 1 68 . 1 . 1 17 17 LYS H H 1 7.647 0.002 . 1 . . . . . 432 LYS H . 27029 1 69 . 1 . 1 17 17 LYS CA C 13 55.006 0.000 . 1 . . . . . 432 LYS CA . 27029 1 70 . 1 . 1 17 17 LYS CB C 13 32.399 0.000 . 1 . . . . . 432 LYS CB . 27029 1 71 . 1 . 1 17 17 LYS N N 15 119.499 0.053 . 1 . . . . . 432 LYS N . 27029 1 72 . 1 . 1 24 24 PHE H H 1 8.053 0.000 . 1 . . . . . 439 PHE H . 27029 1 73 . 1 . 1 24 24 PHE C C 13 177.042 0.000 . 1 . . . . . 439 PHE C . 27029 1 74 . 1 . 1 24 24 PHE CA C 13 60.435 0.000 . 1 . . . . . 439 PHE CA . 27029 1 75 . 1 . 1 24 24 PHE N N 15 117.387 0.000 . 1 . . . . . 439 PHE N . 27029 1 76 . 1 . 1 25 25 LEU H H 1 7.672 0.005 . 1 . . . . . 440 LEU H . 27029 1 77 . 1 . 1 25 25 LEU C C 13 175.389 0.000 . 1 . . . . . 440 LEU C . 27029 1 78 . 1 . 1 25 25 LEU CA C 13 58.095 0.000 . 1 . . . . . 440 LEU CA . 27029 1 79 . 1 . 1 25 25 LEU CB C 13 42.267 0.000 . 1 . . . . . 440 LEU CB . 27029 1 80 . 1 . 1 25 25 LEU N N 15 120.366 0.075 . 1 . . . . . 440 LEU N . 27029 1 81 . 1 . 1 26 26 VAL H H 1 7.807 0.005 . 1 . . . . . 441 VAL H . 27029 1 82 . 1 . 1 26 26 VAL CA C 13 67.008 0.000 . 1 . . . . . 441 VAL CA . 27029 1 83 . 1 . 1 26 26 VAL CB C 13 31.451 0.000 . 1 . . . . . 441 VAL CB . 27029 1 84 . 1 . 1 26 26 VAL N N 15 117.679 0.053 . 1 . . . . . 441 VAL N . 27029 1 85 . 1 . 1 27 27 TYR C C 13 177.561 0.000 . 1 . . . . . 442 TYR C . 27029 1 86 . 1 . 1 28 28 CYS H H 1 8.068 0.000 . 1 . . . . . 443 CYS H . 27029 1 87 . 1 . 1 28 28 CYS C C 13 176.010 0.000 . 1 . . . . . 443 CYS C . 27029 1 88 . 1 . 1 28 28 CYS CA C 13 56.345 0.000 . 1 . . . . . 443 CYS CA . 27029 1 89 . 1 . 1 28 28 CYS N N 15 119.645 0.000 . 1 . . . . . 443 CYS N . 27029 1 90 . 1 . 1 29 29 LEU H H 1 7.913 0.002 . 1 . . . . . 444 LEU H . 27029 1 91 . 1 . 1 29 29 LEU C C 13 176.561 0.000 . 1 . . . . . 444 LEU C . 27029 1 92 . 1 . 1 29 29 LEU CA C 13 61.365 0.000 . 1 . . . . . 444 LEU CA . 27029 1 93 . 1 . 1 29 29 LEU N N 15 120.208 0.166 . 1 . . . . . 444 LEU N . 27029 1 94 . 1 . 1 30 30 TYR H H 1 7.950 0.002 . 1 . . . . . 445 TYR H . 27029 1 95 . 1 . 1 30 30 TYR C C 13 177.621 0.000 . 1 . . . . . 445 TYR C . 27029 1 96 . 1 . 1 30 30 TYR CA C 13 62.337 0.000 . 1 . . . . . 445 TYR CA . 27029 1 97 . 1 . 1 30 30 TYR N N 15 120.333 0.099 . 1 . . . . . 445 TYR N . 27029 1 98 . 1 . 1 31 31 MET C C 13 173.649 0.000 . 1 . . . . . 446 MET C . 27029 1 99 . 1 . 1 31 31 MET CA C 13 59.183 0.000 . 1 . . . . . 446 MET CA . 27029 1 100 . 1 . 1 31 31 MET N N 15 121.946 0.022 . 1 . . . . . 446 MET N . 27029 1 101 . 1 . 1 32 32 ILE H H 1 8.311 0.002 . 1 . . . . . 447 ILE H . 27029 1 102 . 1 . 1 32 32 ILE C C 13 178.380 0.000 . 1 . . . . . 447 ILE C . 27029 1 103 . 1 . 1 32 32 ILE CA C 13 65.827 0.000 . 1 . . . . . 447 ILE CA . 27029 1 104 . 1 . 1 32 32 ILE N N 15 122.575 0.047 . 1 . . . . . 447 ILE N . 27029 1 105 . 1 . 1 33 33 ILE H H 1 8.265 0.004 . 1 . . . . . 448 ILE H . 27029 1 106 . 1 . 1 33 33 ILE C C 13 176.327 0.000 . 1 . . . . . 448 ILE C . 27029 1 107 . 1 . 1 33 33 ILE CA C 13 65.621 0.000 . 1 . . . . . 448 ILE CA . 27029 1 108 . 1 . 1 33 33 ILE CB C 13 37.580 0.000 . 1 . . . . . 448 ILE CB . 27029 1 109 . 1 . 1 33 33 ILE N N 15 120.621 0.076 . 1 . . . . . 448 ILE N . 27029 1 110 . 1 . 1 34 34 PHE H H 1 8.747 0.005 . 1 . . . . . 449 PHE H . 27029 1 111 . 1 . 1 34 34 PHE C C 13 175.576 0.000 . 1 . . . . . 449 PHE C . 27029 1 112 . 1 . 1 34 34 PHE CA C 13 61.713 0.000 . 1 . . . . . 449 PHE CA . 27029 1 113 . 1 . 1 34 34 PHE CB C 13 38.877 0.000 . 1 . . . . . 449 PHE CB . 27029 1 114 . 1 . 1 34 34 PHE N N 15 118.944 0.043 . 1 . . . . . 449 PHE N . 27029 1 115 . 1 . 1 35 35 THR H H 1 8.090 0.002 . 1 . . . . . 450 THR H . 27029 1 116 . 1 . 1 35 35 THR C C 13 177.408 0.000 . 1 . . . . . 450 THR C . 27029 1 117 . 1 . 1 35 35 THR CA C 13 66.964 0.000 . 1 . . . . . 450 THR CA . 27029 1 118 . 1 . 1 35 35 THR CB C 13 68.962 0.000 . 1 . . . . . 450 THR CB . 27029 1 119 . 1 . 1 35 35 THR N N 15 116.014 0.022 . 1 . . . . . 450 THR N . 27029 1 120 . 1 . 1 36 36 MET H H 1 8.254 0.007 . 1 . . . . . 451 MET H . 27029 1 121 . 1 . 1 36 36 MET C C 13 175.836 0.000 . 1 . . . . . 451 MET C . 27029 1 122 . 1 . 1 36 36 MET CA C 13 58.621 0.000 . 1 . . . . . 451 MET CA . 27029 1 123 . 1 . 1 36 36 MET CB C 13 32.866 0.000 . 1 . . . . . 451 MET CB . 27029 1 124 . 1 . 1 36 36 MET N N 15 120.201 0.034 . 1 . . . . . 451 MET N . 27029 1 125 . 1 . 1 37 37 ALA H H 1 8.423 0.002 . 1 . . . . . 452 ALA H . 27029 1 126 . 1 . 1 37 37 ALA C C 13 175.177 0.000 . 1 . . . . . 452 ALA C . 27029 1 127 . 1 . 1 37 37 ALA CA C 13 55.047 0.000 . 1 . . . . . 452 ALA CA . 27029 1 128 . 1 . 1 37 37 ALA CB C 13 18.471 0.000 . 1 . . . . . 452 ALA CB . 27029 1 129 . 1 . 1 37 37 ALA N N 15 120.642 0.027 . 1 . . . . . 452 ALA N . 27029 1 130 . 1 . 1 38 38 ALA H H 1 7.599 0.003 . 1 . . . . . 453 ALA H . 27029 1 131 . 1 . 1 38 38 ALA C C 13 174.940 0.000 . 1 . . . . . 453 ALA C . 27029 1 132 . 1 . 1 38 38 ALA CA C 13 54.110 0.000 . 1 . . . . . 453 ALA CA . 27029 1 133 . 1 . 1 38 38 ALA CB C 13 18.505 0.000 . 1 . . . . . 453 ALA CB . 27029 1 134 . 1 . 1 38 38 ALA N N 15 118.366 0.051 . 1 . . . . . 453 ALA N . 27029 1 135 . 1 . 1 39 39 TYR H H 1 7.741 0.003 . 1 . . . . . 454 TYR H . 27029 1 136 . 1 . 1 39 39 TYR C C 13 177.755 0.000 . 1 . . . . . 454 TYR C . 27029 1 137 . 1 . 1 39 39 TYR CA C 13 59.381 0.000 . 1 . . . . . 454 TYR CA . 27029 1 138 . 1 . 1 39 39 TYR CB C 13 39.252 0.000 . 1 . . . . . 454 TYR CB . 27029 1 139 . 1 . 1 39 39 TYR N N 15 116.222 0.028 . 1 . . . . . 454 TYR N . 27029 1 140 . 1 . 1 40 40 TYR H H 1 7.863 0.013 . 1 . . . . . 455 TYR H . 27029 1 141 . 1 . 1 40 40 TYR C C 13 179.283 0.000 . 1 . . . . . 455 TYR C . 27029 1 142 . 1 . 1 40 40 TYR CA C 13 59.219 0.000 . 1 . . . . . 455 TYR CA . 27029 1 143 . 1 . 1 40 40 TYR CB C 13 39.472 0.000 . 1 . . . . . 455 TYR CB . 27029 1 144 . 1 . 1 40 40 TYR N N 15 119.046 0.111 . 1 . . . . . 455 TYR N . 27029 1 145 . 1 . 1 41 41 ARG H H 1 7.547 0.005 . 1 . . . . . 456 ARG H . 27029 1 146 . 1 . 1 41 41 ARG C C 13 180.553 0.000 . 1 . . . . . 456 ARG C . 27029 1 147 . 1 . 1 41 41 ARG CA C 13 53.768 0.000 . 1 . . . . . 456 ARG CA . 27029 1 148 . 1 . 1 41 41 ARG CB C 13 30.753 0.000 . 1 . . . . . 456 ARG CB . 27029 1 149 . 1 . 1 41 41 ARG N N 15 123.216 0.103 . 1 . . . . . 456 ARG N . 27029 1 150 . 1 . 1 42 42 PRO C C 13 176.592 0.000 . 1 . . . . . 457 PRO C . 27029 1 151 . 1 . 1 42 42 PRO CA C 13 63.446 0.000 . 1 . . . . . 457 PRO CA . 27029 1 152 . 1 . 1 42 42 PRO CB C 13 31.831 0.000 . 1 . . . . . 457 PRO CB . 27029 1 153 . 1 . 1 43 43 VAL H H 1 7.989 0.004 . 1 . . . . . 458 VAL H . 27029 1 154 . 1 . 1 43 43 VAL C C 13 177.793 0.000 . 1 . . . . . 458 VAL C . 27029 1 155 . 1 . 1 43 43 VAL CA C 13 62.837 0.000 . 1 . . . . . 458 VAL CA . 27029 1 156 . 1 . 1 43 43 VAL CB C 13 32.782 0.000 . 1 . . . . . 458 VAL CB . 27029 1 157 . 1 . 1 43 43 VAL N N 15 119.271 0.052 . 1 . . . . . 458 VAL N . 27029 1 158 . 1 . 1 44 44 ASP H H 1 8.307 0.002 . 1 . . . . . 459 ASP H . 27029 1 159 . 1 . 1 44 44 ASP C C 13 177.473 0.000 . 1 . . . . . 459 ASP C . 27029 1 160 . 1 . 1 44 44 ASP CA C 13 54.848 0.000 . 1 . . . . . 459 ASP CA . 27029 1 161 . 1 . 1 44 44 ASP CB C 13 41.240 0.000 . 1 . . . . . 459 ASP CB . 27029 1 162 . 1 . 1 44 44 ASP N N 15 122.120 0.043 . 1 . . . . . 459 ASP N . 27029 1 163 . 1 . 1 45 45 GLY H H 1 7.962 0.002 . 1 . . . . . 460 GLY H . 27029 1 164 . 1 . 1 45 45 GLY CA C 13 45.251 0.000 . 1 . . . . . 460 GLY CA . 27029 1 165 . 1 . 1 45 45 GLY N N 15 107.973 0.054 . 1 . . . . . 460 GLY N . 27029 1 166 . 1 . 1 46 46 LEU H H 1 8.033 0.003 . 1 . . . . . 461 LEU H . 27029 1 167 . 1 . 1 46 46 LEU C C 13 179.107 0.000 . 1 . . . . . 461 LEU C . 27029 1 168 . 1 . 1 46 46 LEU CA C 13 52.960 0.000 . 1 . . . . . 461 LEU CA . 27029 1 169 . 1 . 1 46 46 LEU CB C 13 42.133 0.000 . 1 . . . . . 461 LEU CB . 27029 1 170 . 1 . 1 46 46 LEU N N 15 121.796 0.074 . 1 . . . . . 461 LEU N . 27029 1 171 . 1 . 1 48 48 PRO C C 13 177.564 0.000 . 1 . . . . . 463 PRO C . 27029 1 172 . 1 . 1 48 48 PRO CA C 13 63.037 0.016 . 1 . . . . . 463 PRO CA . 27029 1 173 . 1 . 1 48 48 PRO CB C 13 31.441 0.000 . 1 . . . . . 463 PRO CB . 27029 1 174 . 1 . 1 49 49 PHE H H 1 7.967 0.004 . 1 . . . . . 464 PHE H . 27029 1 175 . 1 . 1 49 49 PHE C C 13 179.065 0.000 . 1 . . . . . 464 PHE C . 27029 1 176 . 1 . 1 49 49 PHE CA C 13 57.456 0.000 . 1 . . . . . 464 PHE CA . 27029 1 177 . 1 . 1 49 49 PHE CB C 13 40.215 0.000 . 1 . . . . . 464 PHE CB . 27029 1 178 . 1 . 1 49 49 PHE N N 15 120.413 0.041 . 1 . . . . . 464 PHE N . 27029 1 179 . 1 . 1 50 50 LYS H H 1 7.916 0.005 . 1 . . . . . 465 LYS H . 27029 1 180 . 1 . 1 50 50 LYS C C 13 177.919 0.000 . 1 . . . . . 465 LYS C . 27029 1 181 . 1 . 1 50 50 LYS CA C 13 55.496 0.000 . 1 . . . . . 465 LYS CA . 27029 1 182 . 1 . 1 50 50 LYS CB C 13 33.781 0.000 . 1 . . . . . 465 LYS CB . 27029 1 183 . 1 . 1 50 50 LYS N N 15 123.174 0.034 . 1 . . . . . 465 LYS N . 27029 1 184 . 1 . 1 51 51 MET H H 1 8.439 0.003 . 1 . . . . . 466 MET H . 27029 1 185 . 1 . 1 51 51 MET C C 13 177.081 0.000 . 1 . . . . . 466 MET C . 27029 1 186 . 1 . 1 51 51 MET CA C 13 56.252 0.000 . 1 . . . . . 466 MET CA . 27029 1 187 . 1 . 1 51 51 MET CB C 13 33.392 0.000 . 1 . . . . . 466 MET CB . 27029 1 188 . 1 . 1 51 51 MET N N 15 123.222 0.037 . 1 . . . . . 466 MET N . 27029 1 189 . 1 . 1 52 52 GLU H H 1 8.862 0.004 . 1 . . . . . 467 GLU H . 27029 1 190 . 1 . 1 52 52 GLU C C 13 176.985 0.000 . 1 . . . . . 467 GLU C . 27029 1 191 . 1 . 1 52 52 GLU CA C 13 57.776 0.000 . 1 . . . . . 467 GLU CA . 27029 1 192 . 1 . 1 52 52 GLU CB C 13 30.185 0.000 . 1 . . . . . 467 GLU CB . 27029 1 193 . 1 . 1 52 52 GLU N N 15 121.598 0.033 . 1 . . . . . 467 GLU N . 27029 1 194 . 1 . 1 53 53 LYS H H 1 8.152 0.006 . 1 . . . . . 468 LYS H . 27029 1 195 . 1 . 1 53 53 LYS C C 13 177.001 0.000 . 1 . . . . . 468 LYS C . 27029 1 196 . 1 . 1 53 53 LYS CA C 13 56.392 0.000 . 1 . . . . . 468 LYS CA . 27029 1 197 . 1 . 1 53 53 LYS CB C 13 32.534 0.000 . 1 . . . . . 468 LYS CB . 27029 1 198 . 1 . 1 53 53 LYS N N 15 120.002 0.036 . 1 . . . . . 468 LYS N . 27029 1 199 . 1 . 1 54 54 THR H H 1 7.938 0.005 . 1 . . . . . 469 THR H . 27029 1 200 . 1 . 1 54 54 THR C C 13 177.898 0.000 . 1 . . . . . 469 THR C . 27029 1 201 . 1 . 1 54 54 THR CA C 13 64.715 0.000 . 1 . . . . . 469 THR CA . 27029 1 202 . 1 . 1 54 54 THR CB C 13 69.294 0.000 . 1 . . . . . 469 THR CB . 27029 1 203 . 1 . 1 54 54 THR N N 15 113.875 0.073 . 1 . . . . . 469 THR N . 27029 1 204 . 1 . 1 55 55 GLY H H 1 8.383 0.004 . 1 . . . . . 470 GLY H . 27029 1 205 . 1 . 1 55 55 GLY C C 13 178.398 0.000 . 1 . . . . . 470 GLY C . 27029 1 206 . 1 . 1 55 55 GLY CA C 13 46.837 0.000 . 1 . . . . . 470 GLY CA . 27029 1 207 . 1 . 1 55 55 GLY N N 15 108.893 0.056 . 1 . . . . . 470 GLY N . 27029 1 208 . 1 . 1 56 56 ASP H H 1 7.991 0.011 . 1 . . . . . 471 ASP H . 27029 1 209 . 1 . 1 56 56 ASP C C 13 174.712 0.000 . 1 . . . . . 471 ASP C . 27029 1 210 . 1 . 1 56 56 ASP CA C 13 56.309 0.000 . 1 . . . . . 471 ASP CA . 27029 1 211 . 1 . 1 56 56 ASP CB C 13 40.735 0.000 . 1 . . . . . 471 ASP CB . 27029 1 212 . 1 . 1 56 56 ASP N N 15 121.433 0.047 . 1 . . . . . 471 ASP N . 27029 1 213 . 1 . 1 57 57 TYR H H 1 7.929 0.004 . 1 . . . . . 472 TYR H . 27029 1 214 . 1 . 1 57 57 TYR C C 13 176.863 0.000 . 1 . . . . . 472 TYR C . 27029 1 215 . 1 . 1 57 57 TYR CA C 13 57.917 0.000 . 1 . . . . . 472 TYR CA . 27029 1 216 . 1 . 1 57 57 TYR N N 15 117.148 0.045 . 1 . . . . . 472 TYR N . 27029 1 217 . 1 . 1 58 58 PHE H H 1 8.474 0.003 . 1 . . . . . 473 PHE H . 27029 1 218 . 1 . 1 58 58 PHE C C 13 175.686 0.000 . 1 . . . . . 473 PHE C . 27029 1 219 . 1 . 1 58 58 PHE CA C 13 57.599 0.000 . 1 . . . . . 473 PHE CA . 27029 1 220 . 1 . 1 58 58 PHE N N 15 118.360 0.008 . 1 . . . . . 473 PHE N . 27029 1 221 . 1 . 1 59 59 ARG H H 1 7.802 0.002 . 1 . . . . . 474 ARG H . 27029 1 222 . 1 . 1 59 59 ARG C C 13 175.816 0.000 . 1 . . . . . 474 ARG C . 27029 1 223 . 1 . 1 59 59 ARG CA C 13 58.700 0.000 . 1 . . . . . 474 ARG CA . 27029 1 224 . 1 . 1 59 59 ARG CB C 13 30.488 0.000 . 1 . . . . . 474 ARG CB . 27029 1 225 . 1 . 1 59 59 ARG N N 15 116.868 0.067 . 1 . . . . . 474 ARG N . 27029 1 226 . 1 . 1 60 60 VAL H H 1 8.110 0.004 . 1 . . . . . 475 VAL H . 27029 1 227 . 1 . 1 60 60 VAL C C 13 176.734 0.000 . 1 . . . . . 475 VAL C . 27029 1 228 . 1 . 1 60 60 VAL CA C 13 64.917 0.000 . 1 . . . . . 475 VAL CA . 27029 1 229 . 1 . 1 60 60 VAL CB C 13 32.168 0.000 . 1 . . . . . 475 VAL CB . 27029 1 230 . 1 . 1 60 60 VAL N N 15 118.854 0.041 . 1 . . . . . 475 VAL N . 27029 1 231 . 1 . 1 61 61 THR H H 1 7.826 0.004 . 1 . . . . . 476 THR H . 27029 1 232 . 1 . 1 61 61 THR C C 13 177.470 0.000 . 1 . . . . . 476 THR C . 27029 1 233 . 1 . 1 61 61 THR CA C 13 66.017 0.000 . 1 . . . . . 476 THR CA . 27029 1 234 . 1 . 1 61 61 THR CB C 13 68.884 0.000 . 1 . . . . . 476 THR CB . 27029 1 235 . 1 . 1 61 61 THR N N 15 115.413 0.071 . 1 . . . . . 476 THR N . 27029 1 236 . 1 . 1 62 62 GLY H H 1 8.289 0.008 . 1 . . . . . 477 GLY H . 27029 1 237 . 1 . 1 62 62 GLY C C 13 177.371 0.000 . 1 . . . . . 477 GLY C . 27029 1 238 . 1 . 1 62 62 GLY CA C 13 47.438 0.000 . 1 . . . . . 477 GLY CA . 27029 1 239 . 1 . 1 62 62 GLY N N 15 108.543 0.034 . 1 . . . . . 477 GLY N . 27029 1 240 . 1 . 1 63 63 GLU H H 1 8.148 0.002 . 1 . . . . . 478 GLU H . 27029 1 241 . 1 . 1 63 63 GLU C C 13 174.987 0.000 . 1 . . . . . 478 GLU C . 27029 1 242 . 1 . 1 63 63 GLU CA C 13 59.169 0.000 . 1 . . . . . 478 GLU CA . 27029 1 243 . 1 . 1 63 63 GLU CB C 13 29.093 0.000 . 1 . . . . . 478 GLU CB . 27029 1 244 . 1 . 1 63 63 GLU N N 15 122.271 0.033 . 1 . . . . . 478 GLU N . 27029 1 245 . 1 . 1 64 64 ILE H H 1 8.090 0.003 . 1 . . . . . 479 ILE H . 27029 1 246 . 1 . 1 64 64 ILE C C 13 176.259 0.000 . 1 . . . . . 479 ILE C . 27029 1 247 . 1 . 1 64 64 ILE CA C 13 64.792 0.000 . 1 . . . . . 479 ILE CA . 27029 1 248 . 1 . 1 64 64 ILE CB C 13 37.988 0.000 . 1 . . . . . 479 ILE CB . 27029 1 249 . 1 . 1 64 64 ILE N N 15 119.986 0.051 . 1 . . . . . 479 ILE N . 27029 1 250 . 1 . 1 65 65 LEU H H 1 8.234 0.005 . 1 . . . . . 480 LEU H . 27029 1 251 . 1 . 1 65 65 LEU C C 13 174.342 0.000 . 1 . . . . . 480 LEU C . 27029 1 252 . 1 . 1 65 65 LEU CA C 13 58.114 0.000 . 1 . . . . . 480 LEU CA . 27029 1 253 . 1 . 1 65 65 LEU CB C 13 41.556 0.000 . 1 . . . . . 480 LEU CB . 27029 1 254 . 1 . 1 65 65 LEU N N 15 119.171 0.040 . 1 . . . . . 480 LEU N . 27029 1 255 . 1 . 1 66 66 SER H H 1 8.019 0.002 . 1 . . . . . 481 SER H . 27029 1 256 . 1 . 1 66 66 SER C C 13 176.515 0.000 . 1 . . . . . 481 SER C . 27029 1 257 . 1 . 1 66 66 SER CA C 13 61.842 0.000 . 1 . . . . . 481 SER CA . 27029 1 258 . 1 . 1 66 66 SER CB C 13 63.176 0.000 . 1 . . . . . 481 SER CB . 27029 1 259 . 1 . 1 66 66 SER N N 15 114.921 0.071 . 1 . . . . . 481 SER N . 27029 1 260 . 1 . 1 67 67 VAL H H 1 7.847 0.006 . 1 . . . . . 482 VAL H . 27029 1 261 . 1 . 1 67 67 VAL C C 13 176.357 0.000 . 1 . . . . . 482 VAL C . 27029 1 262 . 1 . 1 67 67 VAL CA C 13 65.500 0.000 . 1 . . . . . 482 VAL CA . 27029 1 263 . 1 . 1 67 67 VAL CB C 13 31.839 0.000 . 1 . . . . . 482 VAL CB . 27029 1 264 . 1 . 1 67 67 VAL N N 15 121.672 0.045 . 1 . . . . . 482 VAL N . 27029 1 265 . 1 . 1 68 68 LEU H H 1 8.714 0.003 . 1 . . . . . 483 LEU H . 27029 1 266 . 1 . 1 68 68 LEU C C 13 175.546 0.000 . 1 . . . . . 483 LEU C . 27029 1 267 . 1 . 1 68 68 LEU CB C 13 38.894 0.000 . 1 . . . . . 483 LEU CB . 27029 1 268 . 1 . 1 68 68 LEU N N 15 118.972 0.032 . 1 . . . . . 483 LEU N . 27029 1 269 . 1 . 1 69 69 GLY H H 1 8.261 0.000 . 1 . . . . . 484 GLY H . 27029 1 270 . 1 . 1 69 69 GLY C C 13 178.657 0.000 . 1 . . . . . 484 GLY C . 27029 1 271 . 1 . 1 69 69 GLY CA C 13 45.815 0.000 . 1 . . . . . 484 GLY CA . 27029 1 272 . 1 . 1 69 69 GLY N N 15 109.259 0.000 . 1 . . . . . 484 GLY N . 27029 1 273 . 1 . 1 70 70 GLY H H 1 8.259 0.003 . 1 . . . . . 485 GLY H . 27029 1 274 . 1 . 1 70 70 GLY C C 13 177.532 0.000 . 1 . . . . . 485 GLY C . 27029 1 275 . 1 . 1 70 70 GLY CA C 13 46.818 0.039 . 1 . . . . . 485 GLY CA . 27029 1 276 . 1 . 1 70 70 GLY N N 15 109.176 0.009 . 1 . . . . . 485 GLY N . 27029 1 277 . 1 . 1 71 71 VAL H H 1 8.278 0.001 . 1 . . . . . 486 VAL H . 27029 1 278 . 1 . 1 71 71 VAL C C 13 176.590 0.000 . 1 . . . . . 486 VAL C . 27029 1 279 . 1 . 1 71 71 VAL CA C 13 65.898 0.000 . 1 . . . . . 486 VAL CA . 27029 1 280 . 1 . 1 71 71 VAL N N 15 120.113 0.031 . 1 . . . . . 486 VAL N . 27029 1 281 . 1 . 1 72 72 TYR H H 1 8.231 0.006 . 1 . . . . . 487 TYR H . 27029 1 282 . 1 . 1 72 72 TYR CA C 13 61.385 0.000 . 1 . . . . . 487 TYR CA . 27029 1 283 . 1 . 1 72 72 TYR CB C 13 38.052 0.000 . 1 . . . . . 487 TYR CB . 27029 1 284 . 1 . 1 72 72 TYR N N 15 120.628 0.056 . 1 . . . . . 487 TYR N . 27029 1 285 . 1 . 1 74 74 PHE H H 1 8.252 0.000 . 1 . . . . . 489 PHE H . 27029 1 286 . 1 . 1 74 74 PHE CA C 13 62.708 0.000 . 1 . . . . . 489 PHE CA . 27029 1 287 . 1 . 1 74 74 PHE N N 15 114.850 0.007 . 1 . . . . . 489 PHE N . 27029 1 288 . 1 . 1 75 75 PHE C C 13 176.200 0.000 . 1 . . . . . 490 PHE C . 27029 1 289 . 1 . 1 75 75 PHE CA C 13 61.215 0.000 . 1 . . . . . 490 PHE CA . 27029 1 290 . 1 . 1 76 76 ARG H H 1 8.320 0.005 . 1 . . . . . 491 ARG H . 27029 1 291 . 1 . 1 76 76 ARG C C 13 174.822 0.000 . 1 . . . . . 491 ARG C . 27029 1 292 . 1 . 1 76 76 ARG CA C 13 58.948 0.000 . 1 . . . . . 491 ARG CA . 27029 1 293 . 1 . 1 76 76 ARG CB C 13 29.642 0.000 . 1 . . . . . 491 ARG CB . 27029 1 294 . 1 . 1 76 76 ARG N N 15 119.173 0.018 . 1 . . . . . 491 ARG N . 27029 1 295 . 1 . 1 77 77 GLY H H 1 8.035 0.005 . 1 . . . . . 492 GLY H . 27029 1 296 . 1 . 1 77 77 GLY C C 13 178.580 0.000 . 1 . . . . . 492 GLY C . 27029 1 297 . 1 . 1 77 77 GLY CA C 13 47.302 0.000 . 1 . . . . . 492 GLY CA . 27029 1 298 . 1 . 1 77 77 GLY N N 15 107.809 0.020 . 1 . . . . . 492 GLY N . 27029 1 299 . 1 . 1 78 78 ILE H H 1 7.908 0.003 . 1 . . . . . 493 ILE H . 27029 1 300 . 1 . 1 78 78 ILE C C 13 176.341 0.000 . 1 . . . . . 493 ILE C . 27029 1 301 . 1 . 1 78 78 ILE CA C 13 64.879 0.000 . 1 . . . . . 493 ILE CA . 27029 1 302 . 1 . 1 78 78 ILE N N 15 121.620 0.001 . 1 . . . . . 493 ILE N . 27029 1 303 . 1 . 1 79 79 GLN H H 1 8.086 0.003 . 1 . . . . . 494 GLN H . 27029 1 304 . 1 . 1 79 79 GLN C C 13 175.999 0.000 . 1 . . . . . 494 GLN C . 27029 1 305 . 1 . 1 79 79 GLN CA C 13 59.819 0.000 . 1 . . . . . 494 GLN CA . 27029 1 306 . 1 . 1 79 79 GLN N N 15 119.600 0.042 . 1 . . . . . 494 GLN N . 27029 1 307 . 1 . 1 80 80 TYR H H 1 8.024 0.004 . 1 . . . . . 495 TYR H . 27029 1 308 . 1 . 1 80 80 TYR C C 13 177.669 0.000 . 1 . . . . . 495 TYR C . 27029 1 309 . 1 . 1 80 80 TYR CA C 13 61.058 0.000 . 1 . . . . . 495 TYR CA . 27029 1 310 . 1 . 1 80 80 TYR N N 15 119.516 0.041 . 1 . . . . . 495 TYR N . 27029 1 311 . 1 . 1 81 81 PHE H H 1 8.230 0.004 . 1 . . . . . 496 PHE H . 27029 1 312 . 1 . 1 81 81 PHE CA C 13 56.714 0.000 . 1 . . . . . 496 PHE CA . 27029 1 313 . 1 . 1 81 81 PHE CB C 13 38.505 0.000 . 1 . . . . . 496 PHE CB . 27029 1 314 . 1 . 1 81 81 PHE N N 15 118.718 0.054 . 1 . . . . . 496 PHE N . 27029 1 315 . 1 . 1 87 87 SER H H 1 7.999 0.005 . 1 . . . . . 502 SER H . 27029 1 316 . 1 . 1 87 87 SER C C 13 176.729 0.000 . 1 . . . . . 502 SER C . 27029 1 317 . 1 . 1 87 87 SER CA C 13 59.740 0.000 . 1 . . . . . 502 SER CA . 27029 1 318 . 1 . 1 87 87 SER N N 15 117.411 0.039 . 1 . . . . . 502 SER N . 27029 1 319 . 1 . 1 88 88 MET H H 1 7.830 0.005 . 1 . . . . . 503 MET H . 27029 1 320 . 1 . 1 88 88 MET C C 13 176.430 0.000 . 1 . . . . . 503 MET C . 27029 1 321 . 1 . 1 88 88 MET CA C 13 61.422 0.000 . 1 . . . . . 503 MET CA . 27029 1 322 . 1 . 1 88 88 MET N N 15 120.074 0.052 . 1 . . . . . 503 MET N . 27029 1 323 . 1 . 1 89 89 LYS H H 1 8.146 0.008 . 1 . . . . . 504 LYS H . 27029 1 324 . 1 . 1 89 89 LYS C C 13 175.985 0.000 . 1 . . . . . 504 LYS C . 27029 1 325 . 1 . 1 89 89 LYS CA C 13 59.867 0.000 . 1 . . . . . 504 LYS CA . 27029 1 326 . 1 . 1 89 89 LYS N N 15 118.870 0.036 . 1 . . . . . 504 LYS N . 27029 1 327 . 1 . 1 90 90 THR H H 1 7.721 0.004 . 1 . . . . . 505 THR H . 27029 1 328 . 1 . 1 90 90 THR C C 13 178.382 0.000 . 1 . . . . . 505 THR C . 27029 1 329 . 1 . 1 90 90 THR CA C 13 65.054 0.000 . 1 . . . . . 505 THR CA . 27029 1 330 . 1 . 1 90 90 THR CB C 13 69.061 0.000 . 1 . . . . . 505 THR CB . 27029 1 331 . 1 . 1 90 90 THR N N 15 113.118 0.033 . 1 . . . . . 505 THR N . 27029 1 332 . 1 . 1 91 91 LEU H H 1 7.687 0.013 . 1 . . . . . 506 LEU H . 27029 1 333 . 1 . 1 91 91 LEU C C 13 176.433 0.000 . 1 . . . . . 506 LEU C . 27029 1 334 . 1 . 1 91 91 LEU CA C 13 57.600 0.000 . 1 . . . . . 506 LEU CA . 27029 1 335 . 1 . 1 91 91 LEU CB C 13 42.455 0.000 . 1 . . . . . 506 LEU CB . 27029 1 336 . 1 . 1 91 91 LEU N N 15 121.551 0.042 . 1 . . . . . 506 LEU N . 27029 1 337 . 1 . 1 92 92 PHE H H 1 8.009 0.007 . 1 . . . . . 507 PHE H . 27029 1 338 . 1 . 1 92 92 PHE C C 13 176.757 0.000 . 1 . . . . . 507 PHE C . 27029 1 339 . 1 . 1 92 92 PHE CA C 13 60.248 0.000 . 1 . . . . . 507 PHE CA . 27029 1 340 . 1 . 1 92 92 PHE CB C 13 39.161 0.000 . 1 . . . . . 507 PHE CB . 27029 1 341 . 1 . 1 92 92 PHE N N 15 117.364 0.035 . 1 . . . . . 507 PHE N . 27029 1 342 . 1 . 1 93 93 VAL H H 1 8.019 0.006 . 1 . . . . . 508 VAL H . 27029 1 343 . 1 . 1 93 93 VAL C C 13 175.789 0.000 . 1 . . . . . 508 VAL C . 27029 1 344 . 1 . 1 93 93 VAL CA C 13 65.369 0.000 . 1 . . . . . 508 VAL CA . 27029 1 345 . 1 . 1 93 93 VAL CB C 13 32.311 0.000 . 1 . . . . . 508 VAL CB . 27029 1 346 . 1 . 1 93 93 VAL N N 15 118.260 0.057 . 1 . . . . . 508 VAL N . 27029 1 347 . 1 . 1 94 94 ASP H H 1 8.510 0.012 . 1 . . . . . 509 ASP H . 27029 1 348 . 1 . 1 94 94 ASP C C 13 177.804 0.000 . 1 . . . . . 509 ASP C . 27029 1 349 . 1 . 1 94 94 ASP CA C 13 56.480 0.000 . 1 . . . . . 509 ASP CA . 27029 1 350 . 1 . 1 94 94 ASP CB C 13 40.620 0.000 . 1 . . . . . 509 ASP CB . 27029 1 351 . 1 . 1 94 94 ASP N N 15 120.286 0.036 . 1 . . . . . 509 ASP N . 27029 1 352 . 1 . 1 95 95 SER H H 1 7.890 0.009 . 1 . . . . . 510 SER H . 27029 1 353 . 1 . 1 95 95 SER C C 13 179.618 0.000 . 1 . . . . . 510 SER C . 27029 1 354 . 1 . 1 95 95 SER CA C 13 60.225 0.000 . 1 . . . . . 510 SER CA . 27029 1 355 . 1 . 1 95 95 SER CB C 13 64.105 0.000 . 1 . . . . . 510 SER CB . 27029 1 356 . 1 . 1 95 95 SER N N 15 114.468 0.030 . 1 . . . . . 510 SER N . 27029 1 357 . 1 . 1 96 96 TYR H H 1 8.099 0.005 . 1 . . . . . 511 TYR H . 27029 1 358 . 1 . 1 96 96 TYR C C 13 176.800 0.000 . 1 . . . . . 511 TYR C . 27029 1 359 . 1 . 1 96 96 TYR CA C 13 61.160 0.000 . 1 . . . . . 511 TYR CA . 27029 1 360 . 1 . 1 96 96 TYR CB C 13 38.312 0.000 . 1 . . . . . 511 TYR CB . 27029 1 361 . 1 . 1 96 96 TYR N N 15 122.724 0.087 . 1 . . . . . 511 TYR N . 27029 1 362 . 1 . 1 97 97 SER H H 1 8.257 0.009 . 1 . . . . . 512 SER H . 27029 1 363 . 1 . 1 97 97 SER CA C 13 62.245 0.000 . 1 . . . . . 512 SER CA . 27029 1 364 . 1 . 1 97 97 SER N N 15 114.834 0.058 . 1 . . . . . 512 SER N . 27029 1 365 . 1 . 1 102 102 PHE H H 1 8.221 0.004 . 1 . . . . . 517 PHE H . 27029 1 366 . 1 . 1 102 102 PHE C C 13 176.044 0.000 . 1 . . . . . 517 PHE C . 27029 1 367 . 1 . 1 102 102 PHE CA C 13 61.167 0.000 . 1 . . . . . 517 PHE CA . 27029 1 368 . 1 . 1 102 102 PHE CB C 13 39.040 0.000 . 1 . . . . . 517 PHE CB . 27029 1 369 . 1 . 1 102 102 PHE N N 15 121.286 0.041 . 1 . . . . . 517 PHE N . 27029 1 370 . 1 . 1 103 103 LEU H H 1 8.441 0.008 . 1 . . . . . 518 LEU H . 27029 1 371 . 1 . 1 103 103 LEU C C 13 175.366 0.000 . 1 . . . . . 518 LEU C . 27029 1 372 . 1 . 1 103 103 LEU CA C 13 58.251 0.000 . 1 . . . . . 518 LEU CA . 27029 1 373 . 1 . 1 103 103 LEU CB C 13 41.972 0.000 . 1 . . . . . 518 LEU CB . 27029 1 374 . 1 . 1 103 103 LEU N N 15 119.877 0.049 . 1 . . . . . 518 LEU N . 27029 1 375 . 1 . 1 104 104 GLN H H 1 8.326 0.005 . 1 . . . . . 519 GLN H . 27029 1 376 . 1 . 1 104 104 GLN C C 13 175.418 0.000 . 1 . . . . . 519 GLN C . 27029 1 377 . 1 . 1 104 104 GLN CA C 13 59.191 0.000 . 1 . . . . . 519 GLN CA . 27029 1 378 . 1 . 1 104 104 GLN CB C 13 28.627 0.000 . 1 . . . . . 519 GLN CB . 27029 1 379 . 1 . 1 104 104 GLN N N 15 117.019 0.033 . 1 . . . . . 519 GLN N . 27029 1 380 . 1 . 1 105 105 SER H H 1 7.814 0.004 . 1 . . . . . 520 SER H . 27029 1 381 . 1 . 1 105 105 SER C C 13 178.223 0.000 . 1 . . . . . 520 SER C . 27029 1 382 . 1 . 1 105 105 SER CA C 13 61.531 0.000 . 1 . . . . . 520 SER CA . 27029 1 383 . 1 . 1 105 105 SER CB C 13 63.183 0.000 . 1 . . . . . 520 SER CB . 27029 1 384 . 1 . 1 105 105 SER N N 15 115.445 0.055 . 1 . . . . . 520 SER N . 27029 1 385 . 1 . 1 106 106 LEU H H 1 7.769 0.011 . 1 . . . . . 521 LEU H . 27029 1 386 . 1 . 1 106 106 LEU C C 13 175.921 0.000 . 1 . . . . . 521 LEU C . 27029 1 387 . 1 . 1 106 106 LEU CA C 13 57.254 0.000 . 1 . . . . . 521 LEU CA . 27029 1 388 . 1 . 1 106 106 LEU CB C 13 42.158 0.000 . 1 . . . . . 521 LEU CB . 27029 1 389 . 1 . 1 106 106 LEU N N 15 122.699 0.046 . 1 . . . . . 521 LEU N . 27029 1 390 . 1 . 1 107 107 PHE H H 1 8.047 0.004 . 1 . . . . . 522 PHE H . 27029 1 391 . 1 . 1 107 107 PHE C C 13 177.551 0.000 . 1 . . . . . 522 PHE C . 27029 1 392 . 1 . 1 107 107 PHE CA C 13 57.354 0.000 . 1 . . . . . 522 PHE CA . 27029 1 393 . 1 . 1 107 107 PHE N N 15 122.080 0.019 . 1 . . . . . 522 PHE N . 27029 1 394 . 1 . 1 108 108 MET H H 1 8.055 0.004 . 1 . . . . . 523 MET H . 27029 1 395 . 1 . 1 108 108 MET C C 13 176.272 0.000 . 1 . . . . . 523 MET C . 27029 1 396 . 1 . 1 108 108 MET CA C 13 61.499 0.000 . 1 . . . . . 523 MET CA . 27029 1 397 . 1 . 1 108 108 MET CB C 13 39.648 0.000 . 1 . . . . . 523 MET CB . 27029 1 398 . 1 . 1 108 108 MET N N 15 119.239 0.064 . 1 . . . . . 523 MET N . 27029 1 399 . 1 . 1 109 109 LEU H H 1 8.344 0.004 . 1 . . . . . 524 LEU H . 27029 1 400 . 1 . 1 109 109 LEU C C 13 175.760 0.000 . 1 . . . . . 524 LEU C . 27029 1 401 . 1 . 1 109 109 LEU CA C 13 57.459 0.000 . 1 . . . . . 524 LEU CA . 27029 1 402 . 1 . 1 109 109 LEU CB C 13 41.877 0.000 . 1 . . . . . 524 LEU CB . 27029 1 403 . 1 . 1 109 109 LEU N N 15 117.980 0.050 . 1 . . . . . 524 LEU N . 27029 1 404 . 1 . 1 110 110 ALA H H 1 8.441 0.005 . 1 . . . . . 525 ALA H . 27029 1 405 . 1 . 1 110 110 ALA C C 13 174.441 0.000 . 1 . . . . . 525 ALA C . 27029 1 406 . 1 . 1 110 110 ALA CA C 13 55.484 0.000 . 1 . . . . . 525 ALA CA . 27029 1 407 . 1 . 1 110 110 ALA CB C 13 18.462 0.000 . 1 . . . . . 525 ALA CB . 27029 1 408 . 1 . 1 110 110 ALA N N 15 121.720 0.029 . 1 . . . . . 525 ALA N . 27029 1 409 . 1 . 1 111 111 THR H H 1 7.868 0.007 . 1 . . . . . 526 THR H . 27029 1 410 . 1 . 1 111 111 THR C C 13 177.776 0.000 . 1 . . . . . 526 THR C . 27029 1 411 . 1 . 1 111 111 THR CA C 13 65.986 0.000 . 1 . . . . . 526 THR CA . 27029 1 412 . 1 . 1 111 111 THR CB C 13 69.055 0.000 . 1 . . . . . 526 THR CB . 27029 1 413 . 1 . 1 111 111 THR N N 15 111.373 0.052 . 1 . . . . . 526 THR N . 27029 1 414 . 1 . 1 112 112 VAL H H 1 7.607 0.012 . 1 . . . . . 527 VAL H . 27029 1 415 . 1 . 1 112 112 VAL C C 13 176.306 0.000 . 1 . . . . . 527 VAL C . 27029 1 416 . 1 . 1 112 112 VAL CA C 13 66.236 0.000 . 1 . . . . . 527 VAL CA . 27029 1 417 . 1 . 1 112 112 VAL CB C 13 31.837 0.000 . 1 . . . . . 527 VAL CB . 27029 1 418 . 1 . 1 112 112 VAL N N 15 121.120 0.100 . 1 . . . . . 527 VAL N . 27029 1 419 . 1 . 1 113 113 VAL C C 13 175.744 0.000 . 1 . . . . . 528 VAL C . 27029 1 420 . 1 . 1 113 113 VAL CA C 13 66.442 0.000 . 1 . . . . . 528 VAL CA . 27029 1 421 . 1 . 1 114 114 LEU H H 1 7.968 0.006 . 1 . . . . . 529 LEU H . 27029 1 422 . 1 . 1 114 114 LEU C C 13 174.742 0.000 . 1 . . . . . 529 LEU C . 27029 1 423 . 1 . 1 114 114 LEU CA C 13 57.880 0.000 . 1 . . . . . 529 LEU CA . 27029 1 424 . 1 . 1 114 114 LEU CB C 13 42.176 0.000 . 1 . . . . . 529 LEU CB . 27029 1 425 . 1 . 1 114 114 LEU N N 15 120.755 0.049 . 1 . . . . . 529 LEU N . 27029 1 426 . 1 . 1 115 115 TYR H H 1 8.020 0.007 . 1 . . . . . 530 TYR H . 27029 1 427 . 1 . 1 115 115 TYR CA C 13 60.899 0.000 . 1 . . . . . 530 TYR CA . 27029 1 428 . 1 . 1 115 115 TYR CB C 13 38.381 0.000 . 1 . . . . . 530 TYR CB . 27029 1 429 . 1 . 1 115 115 TYR N N 15 119.262 0.097 . 1 . . . . . 530 TYR N . 27029 1 430 . 1 . 1 116 116 PHE C C 13 176.618 0.000 . 1 . . . . . 531 PHE C . 27029 1 431 . 1 . 1 116 116 PHE CA C 13 60.805 0.000 . 1 . . . . . 531 PHE CA . 27029 1 432 . 1 . 1 116 116 PHE CB C 13 39.072 0.000 . 1 . . . . . 531 PHE CB . 27029 1 433 . 1 . 1 117 117 SER H H 1 8.432 0.005 . 1 . . . . . 532 SER H . 27029 1 434 . 1 . 1 117 117 SER C C 13 176.741 0.000 . 1 . . . . . 532 SER C . 27029 1 435 . 1 . 1 117 117 SER CA C 13 61.818 0.000 . 1 . . . . . 532 SER CA . 27029 1 436 . 1 . 1 117 117 SER CB C 13 63.199 0.000 . 1 . . . . . 532 SER CB . 27029 1 437 . 1 . 1 117 117 SER N N 15 115.645 0.034 . 1 . . . . . 532 SER N . 27029 1 438 . 1 . 1 118 118 HIS H H 1 8.018 0.002 . 1 . . . . . 533 HIS H . 27029 1 439 . 1 . 1 118 118 HIS C C 13 177.558 0.000 . 1 . . . . . 533 HIS C . 27029 1 440 . 1 . 1 118 118 HIS CA C 13 57.502 0.000 . 1 . . . . . 533 HIS CA . 27029 1 441 . 1 . 1 118 118 HIS N N 15 120.777 0.062 . 1 . . . . . 533 HIS N . 27029 1 442 . 1 . 1 119 119 LEU H H 1 8.098 0.004 . 1 . . . . . 534 LEU H . 27029 1 443 . 1 . 1 119 119 LEU C C 13 175.777 0.000 . 1 . . . . . 534 LEU C . 27029 1 444 . 1 . 1 119 119 LEU CA C 13 58.003 0.000 . 1 . . . . . 534 LEU CA . 27029 1 445 . 1 . 1 119 119 LEU CB C 13 42.348 0.000 . 1 . . . . . 534 LEU CB . 27029 1 446 . 1 . 1 119 119 LEU N N 15 121.136 0.078 . 1 . . . . . 534 LEU N . 27029 1 447 . 1 . 1 120 120 LYS H H 1 8.313 0.000 . 1 . . . . . 535 LYS H . 27029 1 448 . 1 . 1 120 120 LYS C C 13 176.280 0.000 . 1 . . . . . 535 LYS C . 27029 1 449 . 1 . 1 120 120 LYS CA C 13 60.676 0.000 . 1 . . . . . 535 LYS CA . 27029 1 450 . 1 . 1 120 120 LYS N N 15 118.844 0.002 . 1 . . . . . 535 LYS N . 27029 1 451 . 1 . 1 121 121 GLU H H 1 7.957 0.003 . 1 . . . . . 536 GLU H . 27029 1 452 . 1 . 1 121 121 GLU C C 13 174.881 0.000 . 1 . . . . . 536 GLU C . 27029 1 453 . 1 . 1 121 121 GLU CA C 13 59.501 0.000 . 1 . . . . . 536 GLU CA . 27029 1 454 . 1 . 1 121 121 GLU CB C 13 29.524 0.000 . 1 . . . . . 536 GLU CB . 27029 1 455 . 1 . 1 121 121 GLU N N 15 118.282 0.041 . 1 . . . . . 536 GLU N . 27029 1 456 . 1 . 1 122 122 TYR H H 1 8.062 0.003 . 1 . . . . . 537 TYR H . 27029 1 457 . 1 . 1 122 122 TYR C C 13 175.512 0.000 . 1 . . . . . 537 TYR C . 27029 1 458 . 1 . 1 122 122 TYR CA C 13 61.112 0.000 . 1 . . . . . 537 TYR CA . 27029 1 459 . 1 . 1 122 122 TYR CB C 13 38.808 0.000 . 1 . . . . . 537 TYR CB . 27029 1 460 . 1 . 1 122 122 TYR N N 15 120.781 0.063 . 1 . . . . . 537 TYR N . 27029 1 461 . 1 . 1 123 123 VAL H H 1 8.494 0.004 . 1 . . . . . 538 VAL H . 27029 1 462 . 1 . 1 123 123 VAL C C 13 176.382 0.000 . 1 . . . . . 538 VAL C . 27029 1 463 . 1 . 1 123 123 VAL CA C 13 66.769 0.000 . 1 . . . . . 538 VAL CA . 27029 1 464 . 1 . 1 123 123 VAL CB C 13 31.879 0.000 . 1 . . . . . 538 VAL CB . 27029 1 465 . 1 . 1 123 123 VAL N N 15 118.517 0.046 . 1 . . . . . 538 VAL N . 27029 1 466 . 1 . 1 124 124 ALA H H 1 8.410 0.005 . 1 . . . . . 539 ALA H . 27029 1 467 . 1 . 1 124 124 ALA C C 13 174.801 0.000 . 1 . . . . . 539 ALA C . 27029 1 468 . 1 . 1 124 124 ALA CA C 13 55.951 0.000 . 1 . . . . . 539 ALA CA . 27029 1 469 . 1 . 1 124 124 ALA CB C 13 18.399 0.000 . 1 . . . . . 539 ALA CB . 27029 1 470 . 1 . 1 124 124 ALA N N 15 121.754 0.051 . 1 . . . . . 539 ALA N . 27029 1 471 . 1 . 1 125 125 SER H H 1 7.932 0.004 . 1 . . . . . 540 SER H . 27029 1 472 . 1 . 1 125 125 SER C C 13 176.843 0.000 . 1 . . . . . 540 SER C . 27029 1 473 . 1 . 1 125 125 SER CA C 13 61.703 0.000 . 1 . . . . . 540 SER CA . 27029 1 474 . 1 . 1 125 125 SER CB C 13 63.135 0.000 . 1 . . . . . 540 SER CB . 27029 1 475 . 1 . 1 125 125 SER N N 15 111.820 0.036 . 1 . . . . . 540 SER N . 27029 1 476 . 1 . 1 126 126 MET H H 1 7.956 0.004 . 1 . . . . . 541 MET H . 27029 1 477 . 1 . 1 126 126 MET C C 13 175.695 0.000 . 1 . . . . . 541 MET C . 27029 1 478 . 1 . 1 126 126 MET CA C 13 58.473 0.000 . 1 . . . . . 541 MET CA . 27029 1 479 . 1 . 1 126 126 MET CB C 13 32.978 0.000 . 1 . . . . . 541 MET CB . 27029 1 480 . 1 . 1 126 126 MET N N 15 122.066 0.061 . 1 . . . . . 541 MET N . 27029 1 481 . 1 . 1 127 127 VAL H H 1 8.373 0.004 . 1 . . . . . 542 VAL H . 27029 1 482 . 1 . 1 127 127 VAL C C 13 175.745 0.000 . 1 . . . . . 542 VAL C . 27029 1 483 . 1 . 1 127 127 VAL CA C 13 66.856 0.000 . 1 . . . . . 542 VAL CA . 27029 1 484 . 1 . 1 127 127 VAL CB C 13 31.523 0.000 . 1 . . . . . 542 VAL CB . 27029 1 485 . 1 . 1 127 127 VAL N N 15 118.815 0.046 . 1 . . . . . 542 VAL N . 27029 1 486 . 1 . 1 128 128 PHE H H 1 8.304 0.006 . 1 . . . . . 543 PHE H . 27029 1 487 . 1 . 1 128 128 PHE C C 13 176.246 0.000 . 1 . . . . . 543 PHE C . 27029 1 488 . 1 . 1 128 128 PHE CA C 13 61.047 0.000 . 1 . . . . . 543 PHE CA . 27029 1 489 . 1 . 1 128 128 PHE CB C 13 38.728 0.000 . 1 . . . . . 543 PHE CB . 27029 1 490 . 1 . 1 128 128 PHE N N 15 118.987 0.057 . 1 . . . . . 543 PHE N . 27029 1 491 . 1 . 1 129 129 SER H H 1 8.021 0.005 . 1 . . . . . 544 SER H . 27029 1 492 . 1 . 1 129 129 SER C C 13 176.898 0.000 . 1 . . . . . 544 SER C . 27029 1 493 . 1 . 1 129 129 SER CA C 13 61.914 0.000 . 1 . . . . . 544 SER CA . 27029 1 494 . 1 . 1 129 129 SER CB C 13 63.241 0.000 . 1 . . . . . 544 SER CB . 27029 1 495 . 1 . 1 129 129 SER N N 15 114.183 0.048 . 1 . . . . . 544 SER N . 27029 1 496 . 1 . 1 130 130 LEU H H 1 8.034 0.006 . 1 . . . . . 545 LEU H . 27029 1 497 . 1 . 1 130 130 LEU C C 13 175.702 0.000 . 1 . . . . . 545 LEU C . 27029 1 498 . 1 . 1 130 130 LEU CA C 13 57.475 0.000 . 1 . . . . . 545 LEU CA . 27029 1 499 . 1 . 1 130 130 LEU CB C 13 42.301 0.000 . 1 . . . . . 545 LEU CB . 27029 1 500 . 1 . 1 130 130 LEU N N 15 122.951 0.049 . 1 . . . . . 545 LEU N . 27029 1 501 . 1 . 1 131 131 ALA H H 1 8.254 0.006 . 1 . . . . . 546 ALA H . 27029 1 502 . 1 . 1 131 131 ALA C C 13 174.588 0.000 . 1 . . . . . 546 ALA C . 27029 1 503 . 1 . 1 131 131 ALA CA C 13 54.848 0.000 . 1 . . . . . 546 ALA CA . 27029 1 504 . 1 . 1 131 131 ALA CB C 13 18.611 0.000 . 1 . . . . . 546 ALA CB . 27029 1 505 . 1 . 1 131 131 ALA N N 15 121.054 0.037 . 1 . . . . . 546 ALA N . 27029 1 506 . 1 . 1 132 132 LEU H H 1 7.968 0.004 . 1 . . . . . 547 LEU H . 27029 1 507 . 1 . 1 132 132 LEU C C 13 174.542 0.000 . 1 . . . . . 547 LEU C . 27029 1 508 . 1 . 1 132 132 LEU CA C 13 57.131 0.000 . 1 . . . . . 547 LEU CA . 27029 1 509 . 1 . 1 132 132 LEU CB C 13 42.110 0.000 . 1 . . . . . 547 LEU CB . 27029 1 510 . 1 . 1 132 132 LEU N N 15 118.460 0.108 . 1 . . . . . 547 LEU N . 27029 1 511 . 1 . 1 133 133 GLY H H 1 8.124 0.003 . 1 . . . . . 548 GLY H . 27029 1 512 . 1 . 1 133 133 GLY C C 13 177.856 0.000 . 1 . . . . . 548 GLY C . 27029 1 513 . 1 . 1 133 133 GLY CA C 13 46.938 0.000 . 1 . . . . . 548 GLY CA . 27029 1 514 . 1 . 1 133 133 GLY N N 15 107.857 0.009 . 1 . . . . . 548 GLY N . 27029 1 515 . 1 . 1 134 134 TRP H H 1 8.230 0.004 . 1 . . . . . 549 TRP H . 27029 1 516 . 1 . 1 134 134 TRP C C 13 176.126 0.000 . 1 . . . . . 549 TRP C . 27029 1 517 . 1 . 1 134 134 TRP CA C 13 59.441 0.000 . 1 . . . . . 549 TRP CA . 27029 1 518 . 1 . 1 134 134 TRP CB C 13 29.270 0.000 . 1 . . . . . 549 TRP CB . 27029 1 519 . 1 . 1 134 134 TRP N N 15 122.204 0.056 . 1 . . . . . 549 TRP N . 27029 1 520 . 1 . 1 135 135 THR H H 1 7.947 0.008 . 1 . . . . . 550 THR H . 27029 1 521 . 1 . 1 135 135 THR C C 13 177.557 0.000 . 1 . . . . . 550 THR C . 27029 1 522 . 1 . 1 135 135 THR CA C 13 65.708 0.000 . 1 . . . . . 550 THR CA . 27029 1 523 . 1 . 1 135 135 THR CB C 13 68.893 0.000 . 1 . . . . . 550 THR CB . 27029 1 524 . 1 . 1 135 135 THR N N 15 112.337 0.035 . 1 . . . . . 550 THR N . 27029 1 525 . 1 . 1 136 136 ASN H H 1 8.066 0.003 . 1 . . . . . 551 ASN H . 27029 1 526 . 1 . 1 136 136 ASN C C 13 177.129 0.000 . 1 . . . . . 551 ASN C . 27029 1 527 . 1 . 1 136 136 ASN CA C 13 55.558 0.000 . 1 . . . . . 551 ASN CA . 27029 1 528 . 1 . 1 136 136 ASN CB C 13 38.693 0.000 . 1 . . . . . 551 ASN CB . 27029 1 529 . 1 . 1 136 136 ASN N N 15 119.613 0.048 . 1 . . . . . 551 ASN N . 27029 1 530 . 1 . 1 137 137 MET H H 1 7.963 0.003 . 1 . . . . . 552 MET H . 27029 1 531 . 1 . 1 137 137 MET C C 13 176.765 0.000 . 1 . . . . . 552 MET C . 27029 1 532 . 1 . 1 137 137 MET CA C 13 57.804 0.000 . 1 . . . . . 552 MET CA . 27029 1 533 . 1 . 1 137 137 MET CB C 13 32.793 0.000 . 1 . . . . . 552 MET CB . 27029 1 534 . 1 . 1 137 137 MET N N 15 118.659 0.043 . 1 . . . . . 552 MET N . 27029 1 535 . 1 . 1 138 138 LEU H H 1 7.775 0.004 . 1 . . . . . 553 LEU H . 27029 1 536 . 1 . 1 138 138 LEU C C 13 176.256 0.000 . 1 . . . . . 553 LEU C . 27029 1 537 . 1 . 1 138 138 LEU CA C 13 56.469 0.000 . 1 . . . . . 553 LEU CA . 27029 1 538 . 1 . 1 138 138 LEU CB C 13 42.212 0.000 . 1 . . . . . 553 LEU CB . 27029 1 539 . 1 . 1 138 138 LEU N N 15 118.668 0.044 . 1 . . . . . 553 LEU N . 27029 1 540 . 1 . 1 139 139 TYR H H 1 7.745 0.005 . 1 . . . . . 554 TYR H . 27029 1 541 . 1 . 1 139 139 TYR C C 13 177.498 0.000 . 1 . . . . . 554 TYR C . 27029 1 542 . 1 . 1 139 139 TYR CA C 13 59.101 0.000 . 1 . . . . . 554 TYR CA . 27029 1 543 . 1 . 1 139 139 TYR CB C 13 38.581 0.000 . 1 . . . . . 554 TYR CB . 27029 1 544 . 1 . 1 139 139 TYR N N 15 118.463 0.110 . 1 . . . . . 554 TYR N . 27029 1 545 . 1 . 1 140 140 TYR H H 1 7.734 0.005 . 1 . . . . . 555 TYR H . 27029 1 546 . 1 . 1 140 140 TYR C C 13 177.684 0.000 . 1 . . . . . 555 TYR C . 27029 1 547 . 1 . 1 140 140 TYR CA C 13 59.116 0.000 . 1 . . . . . 555 TYR CA . 27029 1 548 . 1 . 1 140 140 TYR CB C 13 38.878 0.000 . 1 . . . . . 555 TYR CB . 27029 1 549 . 1 . 1 140 140 TYR N N 15 119.678 0.038 . 1 . . . . . 555 TYR N . 27029 1 550 . 1 . 1 141 141 THR H H 1 7.834 0.003 . 1 . . . . . 556 THR H . 27029 1 551 . 1 . 1 141 141 THR C C 13 179.411 0.000 . 1 . . . . . 556 THR C . 27029 1 552 . 1 . 1 141 141 THR CA C 13 62.305 0.000 . 1 . . . . . 556 THR CA . 27029 1 553 . 1 . 1 141 141 THR CB C 13 69.937 0.000 . 1 . . . . . 556 THR CB . 27029 1 554 . 1 . 1 141 141 THR N N 15 113.516 0.048 . 1 . . . . . 556 THR N . 27029 1 555 . 1 . 1 142 142 ARG H H 1 7.946 0.002 . 1 . . . . . 557 ARG H . 27029 1 556 . 1 . 1 142 142 ARG C C 13 177.946 0.000 . 1 . . . . . 557 ARG C . 27029 1 557 . 1 . 1 142 142 ARG CA C 13 56.364 0.000 . 1 . . . . . 557 ARG CA . 27029 1 558 . 1 . 1 142 142 ARG CB C 13 31.099 0.000 . 1 . . . . . 557 ARG CB . 27029 1 559 . 1 . 1 142 142 ARG N N 15 123.028 0.047 . 1 . . . . . 557 ARG N . 27029 1 560 . 1 . 1 143 143 GLY H H 1 7.916 0.003 . 1 . . . . . 558 GLY H . 27029 1 561 . 1 . 1 143 143 GLY C C 13 174.820 0.000 . 1 . . . . . 558 GLY C . 27029 1 562 . 1 . 1 143 143 GLY CA C 13 46.373 0.000 . 1 . . . . . 558 GLY CA . 27029 1 563 . 1 . 1 143 143 GLY N N 15 116.084 0.023 . 1 . . . . . 558 GLY N . 27029 1 stop_ save_