data_25657 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25657 _Entry.Title ; Proteasome protein fragment ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-06-10 _Entry.Accession_date 2015-06-10 _Entry.Last_release_date 2016-02-22 _Entry.Original_release_date 2016-02-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.97 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Xiang Chen . . . . 25657 2 Jacob Vannoy . . . . 25657 3 Kylie Walters . J. . . 25657 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25657 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein . 25657 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25657 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 303 25657 '15N chemical shifts' 63 25657 '1H chemical shifts' 657 25657 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 . . 2016-02-22 . original BMRB . 25657 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N3T 'BMRB Entry Tracking System' 25657 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25657 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structures of Rpn1:ubiquitin and Rpn1:K48 diubiquitin define Rpn1 as a novel proteasome ubiquitin receptor. ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Xiang Chen . . . . 25657 1 2 Yanhong Shi . . . . 25657 1 3 Yuan Shi . . . . 25657 1 4 Suzanne Elsasser . . . . 25657 1 5 Jacob Vannoy . . . . 25657 1 6 Daniel Finley . . . . 25657 1 7 Sergey Tarasov . G. . . 25657 1 8 Kylie Walters . J. . . 25657 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25657 _Assembly.ID 1 _Assembly.Name 'Proteasome protein fragment' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 entity 1 $protein A . yes native no no . . . 25657 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_protein _Entity.Sf_category entity _Entity.Sf_framecode protein _Entity.Entry_ID 25657 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name protein _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DTKISSAAILGLGIAFAGSK NDEVLGLLLPIAASTDLPIE TAAMASLALAHVFVGTCNGD ITTSIMDNFLERTAIELKTD WVRFLALALGILYMGQGEQV DDVLETISAIEHPMTSAIEV LVGSCAYTGTG ; _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 131 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13636.695 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 482 ASP . 25657 1 2 483 THR . 25657 1 3 484 LYS . 25657 1 4 485 ILE . 25657 1 5 486 SER . 25657 1 6 487 SER . 25657 1 7 488 ALA . 25657 1 8 489 ALA . 25657 1 9 490 ILE . 25657 1 10 491 LEU . 25657 1 11 492 GLY . 25657 1 12 493 LEU . 25657 1 13 494 GLY . 25657 1 14 495 ILE . 25657 1 15 496 ALA . 25657 1 16 497 PHE . 25657 1 17 498 ALA . 25657 1 18 499 GLY . 25657 1 19 500 SER . 25657 1 20 501 LYS . 25657 1 21 502 ASN . 25657 1 22 503 ASP . 25657 1 23 504 GLU . 25657 1 24 505 VAL . 25657 1 25 506 LEU . 25657 1 26 507 GLY . 25657 1 27 508 LEU . 25657 1 28 509 LEU . 25657 1 29 510 LEU . 25657 1 30 511 PRO . 25657 1 31 512 ILE . 25657 1 32 513 ALA . 25657 1 33 514 ALA . 25657 1 34 515 SER . 25657 1 35 516 THR . 25657 1 36 517 ASP . 25657 1 37 518 LEU . 25657 1 38 519 PRO . 25657 1 39 520 ILE . 25657 1 40 521 GLU . 25657 1 41 522 THR . 25657 1 42 523 ALA . 25657 1 43 524 ALA . 25657 1 44 525 MET . 25657 1 45 526 ALA . 25657 1 46 527 SER . 25657 1 47 528 LEU . 25657 1 48 529 ALA . 25657 1 49 530 LEU . 25657 1 50 531 ALA . 25657 1 51 532 HIS . 25657 1 52 533 VAL . 25657 1 53 534 PHE . 25657 1 54 535 VAL . 25657 1 55 536 GLY . 25657 1 56 537 THR . 25657 1 57 538 CYS . 25657 1 58 539 ASN . 25657 1 59 540 GLY . 25657 1 60 541 ASP . 25657 1 61 542 ILE . 25657 1 62 543 THR . 25657 1 63 544 THR . 25657 1 64 545 SER . 25657 1 65 546 ILE . 25657 1 66 547 MET . 25657 1 67 548 ASP . 25657 1 68 549 ASN . 25657 1 69 550 PHE . 25657 1 70 551 LEU . 25657 1 71 552 GLU . 25657 1 72 553 ARG . 25657 1 73 554 THR . 25657 1 74 555 ALA . 25657 1 75 556 ILE . 25657 1 76 557 GLU . 25657 1 77 558 LEU . 25657 1 78 559 LYS . 25657 1 79 560 THR . 25657 1 80 561 ASP . 25657 1 81 562 TRP . 25657 1 82 563 VAL . 25657 1 83 564 ARG . 25657 1 84 565 PHE . 25657 1 85 566 LEU . 25657 1 86 567 ALA . 25657 1 87 568 LEU . 25657 1 88 569 ALA . 25657 1 89 570 LEU . 25657 1 90 571 GLY . 25657 1 91 572 ILE . 25657 1 92 573 LEU . 25657 1 93 574 TYR . 25657 1 94 575 MET . 25657 1 95 576 GLY . 25657 1 96 577 GLN . 25657 1 97 578 GLY . 25657 1 98 579 GLU . 25657 1 99 580 GLN . 25657 1 100 581 VAL . 25657 1 101 582 ASP . 25657 1 102 583 ASP . 25657 1 103 584 VAL . 25657 1 104 585 LEU . 25657 1 105 586 GLU . 25657 1 106 587 THR . 25657 1 107 588 ILE . 25657 1 108 589 SER . 25657 1 109 590 ALA . 25657 1 110 591 ILE . 25657 1 111 592 GLU . 25657 1 112 593 HIS . 25657 1 113 594 PRO . 25657 1 114 595 MET . 25657 1 115 596 THR . 25657 1 116 597 SER . 25657 1 117 598 ALA . 25657 1 118 599 ILE . 25657 1 119 600 GLU . 25657 1 120 601 VAL . 25657 1 121 602 LEU . 25657 1 122 603 VAL . 25657 1 123 604 GLY . 25657 1 124 605 SER . 25657 1 125 606 CYS . 25657 1 126 607 ALA . 25657 1 127 608 TYR . 25657 1 128 609 THR . 25657 1 129 610 GLY . 25657 1 130 611 THR . 25657 1 131 612 GLY . 25657 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 . ASP 1 1 25657 1 . THR 2 2 25657 1 . LYS 3 3 25657 1 . ILE 4 4 25657 1 . SER 5 5 25657 1 . SER 6 6 25657 1 . ALA 7 7 25657 1 . ALA 8 8 25657 1 . ILE 9 9 25657 1 . LEU 10 10 25657 1 . GLY 11 11 25657 1 . LEU 12 12 25657 1 . GLY 13 13 25657 1 . ILE 14 14 25657 1 . ALA 15 15 25657 1 . PHE 16 16 25657 1 . ALA 17 17 25657 1 . GLY 18 18 25657 1 . SER 19 19 25657 1 . LYS 20 20 25657 1 . ASN 21 21 25657 1 . ASP 22 22 25657 1 . GLU 23 23 25657 1 . VAL 24 24 25657 1 . LEU 25 25 25657 1 . GLY 26 26 25657 1 . LEU 27 27 25657 1 . LEU 28 28 25657 1 . LEU 29 29 25657 1 . PRO 30 30 25657 1 . ILE 31 31 25657 1 . ALA 32 32 25657 1 . ALA 33 33 25657 1 . SER 34 34 25657 1 . THR 35 35 25657 1 . ASP 36 36 25657 1 . LEU 37 37 25657 1 . PRO 38 38 25657 1 . ILE 39 39 25657 1 . GLU 40 40 25657 1 . THR 41 41 25657 1 . ALA 42 42 25657 1 . ALA 43 43 25657 1 . MET 44 44 25657 1 . ALA 45 45 25657 1 . SER 46 46 25657 1 . LEU 47 47 25657 1 . ALA 48 48 25657 1 . LEU 49 49 25657 1 . ALA 50 50 25657 1 . HIS 51 51 25657 1 . VAL 52 52 25657 1 . PHE 53 53 25657 1 . VAL 54 54 25657 1 . GLY 55 55 25657 1 . THR 56 56 25657 1 . CYS 57 57 25657 1 . ASN 58 58 25657 1 . GLY 59 59 25657 1 . ASP 60 60 25657 1 . ILE 61 61 25657 1 . THR 62 62 25657 1 . THR 63 63 25657 1 . SER 64 64 25657 1 . ILE 65 65 25657 1 . MET 66 66 25657 1 . ASP 67 67 25657 1 . ASN 68 68 25657 1 . PHE 69 69 25657 1 . LEU 70 70 25657 1 . GLU 71 71 25657 1 . ARG 72 72 25657 1 . THR 73 73 25657 1 . ALA 74 74 25657 1 . ILE 75 75 25657 1 . GLU 76 76 25657 1 . LEU 77 77 25657 1 . LYS 78 78 25657 1 . THR 79 79 25657 1 . ASP 80 80 25657 1 . TRP 81 81 25657 1 . VAL 82 82 25657 1 . ARG 83 83 25657 1 . PHE 84 84 25657 1 . LEU 85 85 25657 1 . ALA 86 86 25657 1 . LEU 87 87 25657 1 . ALA 88 88 25657 1 . LEU 89 89 25657 1 . GLY 90 90 25657 1 . ILE 91 91 25657 1 . LEU 92 92 25657 1 . TYR 93 93 25657 1 . MET 94 94 25657 1 . GLY 95 95 25657 1 . GLN 96 96 25657 1 . GLY 97 97 25657 1 . GLU 98 98 25657 1 . GLN 99 99 25657 1 . VAL 100 100 25657 1 . ASP 101 101 25657 1 . ASP 102 102 25657 1 . VAL 103 103 25657 1 . LEU 104 104 25657 1 . GLU 105 105 25657 1 . THR 106 106 25657 1 . ILE 107 107 25657 1 . SER 108 108 25657 1 . ALA 109 109 25657 1 . ILE 110 110 25657 1 . GLU 111 111 25657 1 . HIS 112 112 25657 1 . PRO 113 113 25657 1 . MET 114 114 25657 1 . THR 115 115 25657 1 . SER 116 116 25657 1 . ALA 117 117 25657 1 . ILE 118 118 25657 1 . GLU 119 119 25657 1 . VAL 120 120 25657 1 . LEU 121 121 25657 1 . VAL 122 122 25657 1 . GLY 123 123 25657 1 . SER 124 124 25657 1 . CYS 125 125 25657 1 . ALA 126 126 25657 1 . TYR 127 127 25657 1 . THR 128 128 25657 1 . GLY 129 129 25657 1 . THR 130 130 25657 1 . GLY 131 131 25657 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 25657 _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 $protein . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 25657 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 25657 _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 $protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . Pgex4t1 . . . 25657 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25657 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 protein '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $protein . . 0.7 . . mM . . . . 25657 1 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 25657 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25657 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 25657 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 25657 1 6 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 25657 1 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25657 1 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25657 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25657 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 protein '[U-100% 15N]' . . 1 $protein . . 0.7 . . mM . . . . 25657 2 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 25657 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25657 2 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 25657 2 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 25657 2 6 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 25657 2 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25657 2 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25657 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25657 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 protein '[U-100% 13C]' . . 1 $protein . . 0.7 . . mM . . . . 25657 3 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 25657 3 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25657 3 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 25657 3 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 25657 3 6 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 25657 3 7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25657 3 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 25657 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 25657 1 pH 6.7 . pH 25657 1 pressure 1 . atm 25657 1 temperature 298 . K 25657 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25657 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25657 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25657 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25657 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25657 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25657 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 25657 _Software.ID 3 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 25657 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25657 3 'data analysis' 25657 3 'peak picking' 25657 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25657 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25657 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25657 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25657 _Software.ID 5 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25657 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25657 5 'structure solution' 25657 5 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 25657 _Software.ID 6 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 25657 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25657 6 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 25657 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25657 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25657 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 25657 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25657 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 850 . . . 25657 1 2 spectrometer_2 Bruker Avance . 900 . . . 25657 1 3 spectrometer_3 Bruker Avance . 700 . . . 25657 1 4 spectrometer_4 Varian INOVA . 800 . . . 25657 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 25657 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25657 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25657 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25657 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25657 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25657 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25657 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25657 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25657 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25657 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 25657 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25657 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25657 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25657 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 25657 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _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' . . . 25657 1 2 '2D 1H-13C HSQC' . . . 25657 1 3 '3D HNCACB' . . . 25657 1 4 '3D HNCA' . . . 25657 1 5 '3D HN(CO)CA' . . . 25657 1 7 '3D HCCH-TOCSY' . . . 25657 1 8 '3D 1H-15N NOESY' . . . 25657 1 9 '3D 1H-13C NOESY aliphatic' . . . 25657 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 ALA HA H 1 3.926 0.000 . 1 . . . A 488 ALA HA . 25657 1 2 . 1 1 7 7 ALA HB1 H 1 1.250 0.000 . 1 . . . A 488 ALA HB1 . 25657 1 3 . 1 1 7 7 ALA HB2 H 1 1.250 0.000 . 1 . . . A 488 ALA HB2 . 25657 1 4 . 1 1 7 7 ALA HB3 H 1 1.250 0.000 . 1 . . . A 488 ALA HB3 . 25657 1 5 . 1 1 7 7 ALA CA C 13 54.682 0.000 . 1 . . . A 488 ALA CA . 25657 1 6 . 1 1 7 7 ALA CB C 13 18.652 0.000 . 1 . . . A 488 ALA CB . 25657 1 7 . 1 1 8 8 ALA HA H 1 3.910 0.000 . 1 . . . A 489 ALA HA . 25657 1 8 . 1 1 8 8 ALA HB1 H 1 1.375 0.000 . 1 . . . A 489 ALA HB1 . 25657 1 9 . 1 1 8 8 ALA HB2 H 1 1.375 0.000 . 1 . . . A 489 ALA HB2 . 25657 1 10 . 1 1 8 8 ALA HB3 H 1 1.375 0.000 . 1 . . . A 489 ALA HB3 . 25657 1 11 . 1 1 8 8 ALA CA C 13 54.563 0.000 . 1 . . . A 489 ALA CA . 25657 1 12 . 1 1 8 8 ALA CB C 13 18.733 0.000 . 1 . . . A 489 ALA CB . 25657 1 13 . 1 1 9 9 ILE HA H 1 4.120 0.000 . 1 . . . A 490 ILE HA . 25657 1 14 . 1 1 9 9 ILE HB H 1 1.764 0.000 . 1 . . . A 490 ILE HB . 25657 1 15 . 1 1 9 9 ILE HG12 H 1 0.820 0.000 . 2 . . . A 490 ILE HG12 . 25657 1 16 . 1 1 9 9 ILE HG13 H 1 0.820 0.000 . 2 . . . A 490 ILE HG13 . 25657 1 17 . 1 1 9 9 ILE HG21 H 1 0.803 0.000 . 1 . . . A 490 ILE HG21 . 25657 1 18 . 1 1 9 9 ILE HG22 H 1 0.803 0.000 . 1 . . . A 490 ILE HG22 . 25657 1 19 . 1 1 9 9 ILE HG23 H 1 0.803 0.000 . 1 . . . A 490 ILE HG23 . 25657 1 20 . 1 1 9 9 ILE HD11 H 1 0.740 0.000 . 1 . . . A 490 ILE HD11 . 25657 1 21 . 1 1 9 9 ILE HD12 H 1 0.740 0.000 . 1 . . . A 490 ILE HD12 . 25657 1 22 . 1 1 9 9 ILE HD13 H 1 0.740 0.000 . 1 . . . A 490 ILE HD13 . 25657 1 23 . 1 1 9 9 ILE CA C 13 61.752 0.000 . 1 . . . A 490 ILE CA . 25657 1 24 . 1 1 9 9 ILE CB C 13 38.584 0.000 . 1 . . . A 490 ILE CB . 25657 1 25 . 1 1 9 9 ILE CG1 C 13 27.085 0.000 . 1 . . . A 490 ILE CG1 . 25657 1 26 . 1 1 9 9 ILE CG2 C 13 17.429 0.000 . 1 . . . A 490 ILE CG2 . 25657 1 27 . 1 1 9 9 ILE CD1 C 13 13.286 0.000 . 1 . . . A 490 ILE CD1 . 25657 1 28 . 1 1 12 12 LEU HA H 1 4.292 0.000 . 1 . . . A 493 LEU HA . 25657 1 29 . 1 1 12 12 LEU HB2 H 1 1.448 0.000 . 2 . . . A 493 LEU HB2 . 25657 1 30 . 1 1 12 12 LEU HB3 H 1 1.731 0.000 . 2 . . . A 493 LEU HB3 . 25657 1 31 . 1 1 12 12 LEU HG H 1 0.792 0.000 . 1 . . . A 493 LEU HG . 25657 1 32 . 1 1 12 12 LEU HD11 H 1 0.809 0.000 . 2 . . . A 493 LEU HD11 . 25657 1 33 . 1 1 12 12 LEU HD12 H 1 0.809 0.000 . 2 . . . A 493 LEU HD12 . 25657 1 34 . 1 1 12 12 LEU HD13 H 1 0.809 0.000 . 2 . . . A 493 LEU HD13 . 25657 1 35 . 1 1 12 12 LEU HD21 H 1 0.781 0.000 . 2 . . . A 493 LEU HD21 . 25657 1 36 . 1 1 12 12 LEU HD22 H 1 0.781 0.000 . 2 . . . A 493 LEU HD22 . 25657 1 37 . 1 1 12 12 LEU HD23 H 1 0.781 0.000 . 2 . . . A 493 LEU HD23 . 25657 1 38 . 1 1 12 12 LEU CA C 13 55.121 0.000 . 1 . . . A 493 LEU CA . 25657 1 39 . 1 1 12 12 LEU CB C 13 42.180 0.000 . 1 . . . A 493 LEU CB . 25657 1 40 . 1 1 12 12 LEU CG C 13 26.063 0.000 . 1 . . . A 493 LEU CG . 25657 1 41 . 1 1 12 12 LEU CD1 C 13 24.813 0.000 . 1 . . . A 493 LEU CD1 . 25657 1 42 . 1 1 12 12 LEU CD2 C 13 23.050 0.000 . 1 . . . A 493 LEU CD2 . 25657 1 43 . 1 1 13 13 GLY HA2 H 1 3.674 0.000 . 2 . . . A 494 GLY HA2 . 25657 1 44 . 1 1 13 13 GLY HA3 H 1 3.674 0.000 . 2 . . . A 494 GLY HA3 . 25657 1 45 . 1 1 13 13 GLY CA C 13 47.527 0.000 . 1 . . . A 494 GLY CA . 25657 1 46 . 1 1 15 15 ALA HA H 1 4.034 0.000 . 1 . . . A 496 ALA HA . 25657 1 47 . 1 1 15 15 ALA HB1 H 1 1.378 0.000 . 1 . . . A 496 ALA HB1 . 25657 1 48 . 1 1 15 15 ALA HB2 H 1 1.378 0.000 . 1 . . . A 496 ALA HB2 . 25657 1 49 . 1 1 15 15 ALA HB3 H 1 1.378 0.000 . 1 . . . A 496 ALA HB3 . 25657 1 50 . 1 1 15 15 ALA CA C 13 55.704 0.000 . 1 . . . A 496 ALA CA . 25657 1 51 . 1 1 15 15 ALA CB C 13 19.830 0.000 . 1 . . . A 496 ALA CB . 25657 1 52 . 1 1 16 16 PHE HA H 1 4.621 0.000 . 1 . . . A 497 PHE HA . 25657 1 53 . 1 1 16 16 PHE HB2 H 1 2.907 0.000 . 2 . . . A 497 PHE HB2 . 25657 1 54 . 1 1 16 16 PHE HB3 H 1 3.316 0.000 . 2 . . . A 497 PHE HB3 . 25657 1 55 . 1 1 16 16 PHE HD1 H 1 7.502 0.000 . 3 . . . A 497 PHE HD1 . 25657 1 56 . 1 1 16 16 PHE HD2 H 1 7.502 0.000 . 3 . . . A 497 PHE HD2 . 25657 1 57 . 1 1 16 16 PHE HE1 H 1 7.108 0.000 . 3 . . . A 497 PHE HE1 . 25657 1 58 . 1 1 16 16 PHE HE2 H 1 7.108 0.000 . 3 . . . A 497 PHE HE2 . 25657 1 59 . 1 1 16 16 PHE CA C 13 57.493 0.000 . 1 . . . A 497 PHE CA . 25657 1 60 . 1 1 16 16 PHE CB C 13 38.584 0.000 . 1 . . . A 497 PHE CB . 25657 1 61 . 1 1 17 17 ALA HA H 1 3.821 0.000 . 1 . . . A 498 ALA HA . 25657 1 62 . 1 1 17 17 ALA HB1 H 1 1.578 0.000 . 1 . . . A 498 ALA HB1 . 25657 1 63 . 1 1 17 17 ALA HB2 H 1 1.578 0.000 . 1 . . . A 498 ALA HB2 . 25657 1 64 . 1 1 17 17 ALA HB3 H 1 1.578 0.000 . 1 . . . A 498 ALA HB3 . 25657 1 65 . 1 1 17 17 ALA CA C 13 54.735 0.000 . 1 . . . A 498 ALA CA . 25657 1 66 . 1 1 17 17 ALA CB C 13 18.397 0.000 . 1 . . . A 498 ALA CB . 25657 1 67 . 1 1 19 19 SER H H 1 8.124 0.000 . 1 . . . A 500 SER H . 25657 1 68 . 1 1 19 19 SER HA H 1 4.200 0.000 . 1 . . . A 500 SER HA . 25657 1 69 . 1 1 19 19 SER HB2 H 1 3.934 0.000 . 2 . . . A 500 SER HB2 . 25657 1 70 . 1 1 19 19 SER HB3 H 1 4.136 0.000 . 2 . . . A 500 SER HB3 . 25657 1 71 . 1 1 19 19 SER CA C 13 60.559 0.000 . 1 . . . A 500 SER CA . 25657 1 72 . 1 1 19 19 SER CB C 13 65.159 0.000 . 1 . . . A 500 SER CB . 25657 1 73 . 1 1 19 19 SER N N 15 113.984 0.000 . 1 . . . A 500 SER N . 25657 1 74 . 1 1 20 20 LYS H H 1 8.419 0.000 . 1 . . . A 501 LYS H . 25657 1 75 . 1 1 20 20 LYS HA H 1 4.276 0.000 . 1 . . . A 501 LYS HA . 25657 1 76 . 1 1 20 20 LYS HB2 H 1 1.781 0.000 . 2 . . . A 501 LYS HB2 . 25657 1 77 . 1 1 20 20 LYS HB3 H 1 1.713 0.000 . 2 . . . A 501 LYS HB3 . 25657 1 78 . 1 1 20 20 LYS HG2 H 1 1.027 0.000 . 2 . . . A 501 LYS HG2 . 25657 1 79 . 1 1 20 20 LYS HG3 H 1 1.027 0.000 . 2 . . . A 501 LYS HG3 . 25657 1 80 . 1 1 20 20 LYS HD2 H 1 1.558 0.000 . 2 . . . A 501 LYS HD2 . 25657 1 81 . 1 1 20 20 LYS HD3 H 1 1.684 0.000 . 2 . . . A 501 LYS HD3 . 25657 1 82 . 1 1 20 20 LYS HE2 H 1 2.869 0.000 . 2 . . . A 501 LYS HE2 . 25657 1 83 . 1 1 20 20 LYS HE3 H 1 2.869 0.000 . 2 . . . A 501 LYS HE3 . 25657 1 84 . 1 1 20 20 LYS CA C 13 55.960 0.000 . 1 . . . A 501 LYS CA . 25657 1 85 . 1 1 20 20 LYS CB C 13 32.962 0.000 . 1 . . . A 501 LYS CB . 25657 1 86 . 1 1 20 20 LYS CG C 13 24.785 0.000 . 1 . . . A 501 LYS CG . 25657 1 87 . 1 1 20 20 LYS CD C 13 28.874 0.001 . 1 . . . A 501 LYS CD . 25657 1 88 . 1 1 20 20 LYS CE C 13 41.139 0.000 . 1 . . . A 501 LYS CE . 25657 1 89 . 1 1 20 20 LYS N N 15 118.485 0.000 . 1 . . . A 501 LYS N . 25657 1 90 . 1 1 21 21 ASN H H 1 6.247 0.000 . 1 . . . A 502 ASN H . 25657 1 91 . 1 1 21 21 ASN HA H 1 4.275 0.000 . 1 . . . A 502 ASN HA . 25657 1 92 . 1 1 21 21 ASN HB2 H 1 2.117 0.001 . 2 . . . A 502 ASN HB2 . 25657 1 93 . 1 1 21 21 ASN HB3 H 1 2.872 0.000 . 2 . . . A 502 ASN HB3 . 25657 1 94 . 1 1 21 21 ASN CA C 13 55.449 0.000 . 1 . . . A 502 ASN CA . 25657 1 95 . 1 1 21 21 ASN CB C 13 39.861 0.000 . 1 . . . A 502 ASN CB . 25657 1 96 . 1 1 21 21 ASN N N 15 115.874 0.000 . 1 . . . A 502 ASN N . 25657 1 97 . 1 1 22 22 ASP H H 1 8.734 0.000 . 1 . . . A 503 ASP H . 25657 1 98 . 1 1 22 22 ASP HA H 1 4.551 0.000 . 1 . . . A 503 ASP HA . 25657 1 99 . 1 1 22 22 ASP HB2 H 1 2.636 0.000 . 2 . . . A 503 ASP HB2 . 25657 1 100 . 1 1 22 22 ASP HB3 H 1 2.636 0.000 . 2 . . . A 503 ASP HB3 . 25657 1 101 . 1 1 22 22 ASP CA C 13 56.982 0.000 . 1 . . . A 503 ASP CA . 25657 1 102 . 1 1 22 22 ASP CB C 13 41.395 0.000 . 1 . . . A 503 ASP CB . 25657 1 103 . 1 1 22 22 ASP N N 15 127.293 0.000 . 1 . . . A 503 ASP N . 25657 1 104 . 1 1 23 23 GLU H H 1 8.208 0.000 . 1 . . . A 504 GLU H . 25657 1 105 . 1 1 23 23 GLU HA H 1 4.094 0.000 . 1 . . . A 504 GLU HA . 25657 1 106 . 1 1 23 23 GLU HB2 H 1 1.949 0.000 . 2 . . . A 504 GLU HB2 . 25657 1 107 . 1 1 23 23 GLU HB3 H 1 2.179 0.000 . 2 . . . A 504 GLU HB3 . 25657 1 108 . 1 1 23 23 GLU HG2 H 1 2.160 0.000 . 2 . . . A 504 GLU HG2 . 25657 1 109 . 1 1 23 23 GLU HG3 H 1 2.248 0.000 . 2 . . . A 504 GLU HG3 . 25657 1 110 . 1 1 23 23 GLU CA C 13 59.282 0.000 . 1 . . . A 504 GLU CA . 25657 1 111 . 1 1 23 23 GLU CB C 13 28.618 0.000 . 1 . . . A 504 GLU CB . 25657 1 112 . 1 1 23 23 GLU CG C 13 37.051 0.000 . 1 . . . A 504 GLU CG . 25657 1 113 . 1 1 23 23 GLU N N 15 123.432 0.000 . 1 . . . A 504 GLU N . 25657 1 114 . 1 1 24 24 VAL H H 1 8.343 0.000 . 1 . . . A 505 VAL H . 25657 1 115 . 1 1 24 24 VAL HA H 1 3.284 0.000 . 1 . . . A 505 VAL HA . 25657 1 116 . 1 1 24 24 VAL HB H 1 1.842 0.000 . 1 . . . A 505 VAL HB . 25657 1 117 . 1 1 24 24 VAL HG11 H 1 0.765 0.000 . 2 . . . A 505 VAL HG11 . 25657 1 118 . 1 1 24 24 VAL HG12 H 1 0.765 0.000 . 2 . . . A 505 VAL HG12 . 25657 1 119 . 1 1 24 24 VAL HG13 H 1 0.765 0.000 . 2 . . . A 505 VAL HG13 . 25657 1 120 . 1 1 24 24 VAL HG21 H 1 0.150 0.000 . 2 . . . A 505 VAL HG21 . 25657 1 121 . 1 1 24 24 VAL HG22 H 1 0.150 0.000 . 2 . . . A 505 VAL HG22 . 25657 1 122 . 1 1 24 24 VAL HG23 H 1 0.150 0.000 . 2 . . . A 505 VAL HG23 . 25657 1 123 . 1 1 24 24 VAL CA C 13 66.547 0.000 . 1 . . . A 505 VAL CA . 25657 1 124 . 1 1 24 24 VAL CB C 13 30.918 0.000 . 1 . . . A 505 VAL CB . 25657 1 125 . 1 1 24 24 VAL CG1 C 13 22.294 0.000 . 1 . . . A 505 VAL CG1 . 25657 1 126 . 1 1 24 24 VAL CG2 C 13 22.553 0.000 . 1 . . . A 505 VAL CG2 . 25657 1 127 . 1 1 24 24 VAL N N 15 121.171 0.000 . 1 . . . A 505 VAL N . 25657 1 128 . 1 1 25 25 LEU H H 1 7.677 0.000 . 1 . . . A 506 LEU H . 25657 1 129 . 1 1 25 25 LEU HA H 1 3.956 0.000 . 1 . . . A 506 LEU HA . 25657 1 130 . 1 1 25 25 LEU HB2 H 1 1.712 0.000 . 2 . . . A 506 LEU HB2 . 25657 1 131 . 1 1 25 25 LEU HB3 H 1 2.148 0.000 . 2 . . . A 506 LEU HB3 . 25657 1 132 . 1 1 25 25 LEU HG H 1 1.428 0.000 . 1 . . . A 506 LEU HG . 25657 1 133 . 1 1 25 25 LEU HD11 H 1 0.415 0.000 . 2 . . . A 506 LEU HD11 . 25657 1 134 . 1 1 25 25 LEU HD12 H 1 0.415 0.000 . 2 . . . A 506 LEU HD12 . 25657 1 135 . 1 1 25 25 LEU HD13 H 1 0.415 0.000 . 2 . . . A 506 LEU HD13 . 25657 1 136 . 1 1 25 25 LEU HD21 H 1 0.737 0.000 . 2 . . . A 506 LEU HD21 . 25657 1 137 . 1 1 25 25 LEU HD22 H 1 0.737 0.000 . 2 . . . A 506 LEU HD22 . 25657 1 138 . 1 1 25 25 LEU HD23 H 1 0.737 0.000 . 2 . . . A 506 LEU HD23 . 25657 1 139 . 1 1 25 25 LEU CA C 13 58.667 0.000 . 1 . . . A 506 LEU CA . 25657 1 140 . 1 1 25 25 LEU CB C 13 41.139 0.000 . 1 . . . A 506 LEU CB . 25657 1 141 . 1 1 25 25 LEU CG C 13 26.318 0.000 . 1 . . . A 506 LEU CG . 25657 1 142 . 1 1 25 25 LEU CD1 C 13 24.074 0.000 . 1 . . . A 506 LEU CD1 . 25657 1 143 . 1 1 25 25 LEU CD2 C 13 25.443 0.000 . 1 . . . A 506 LEU CD2 . 25657 1 144 . 1 1 25 25 LEU N N 15 120.468 0.000 . 1 . . . A 506 LEU N . 25657 1 145 . 1 1 26 26 GLY H H 1 7.864 0.000 . 1 . . . A 507 GLY H . 25657 1 146 . 1 1 26 26 GLY HA2 H 1 3.736 0.000 . 2 . . . A 507 GLY HA2 . 25657 1 147 . 1 1 26 26 GLY HA3 H 1 4.182 0.000 . 2 . . . A 507 GLY HA3 . 25657 1 148 . 1 1 26 26 GLY CA C 13 46.428 0.000 . 1 . . . A 507 GLY CA . 25657 1 149 . 1 1 26 26 GLY N N 15 102.846 0.000 . 1 . . . A 507 GLY N . 25657 1 150 . 1 1 27 27 LEU H H 1 7.368 0.000 . 1 . . . A 508 LEU H . 25657 1 151 . 1 1 27 27 LEU HA H 1 4.209 0.000 . 1 . . . A 508 LEU HA . 25657 1 152 . 1 1 27 27 LEU HB2 H 1 1.598 0.000 . 2 . . . A 508 LEU HB2 . 25657 1 153 . 1 1 27 27 LEU HB3 H 1 1.645 0.000 . 2 . . . A 508 LEU HB3 . 25657 1 154 . 1 1 27 27 LEU HG H 1 1.586 0.000 . 1 . . . A 508 LEU HG . 25657 1 155 . 1 1 27 27 LEU HD11 H 1 0.874 0.000 . 2 . . . A 508 LEU HD11 . 25657 1 156 . 1 1 27 27 LEU HD12 H 1 0.874 0.000 . 2 . . . A 508 LEU HD12 . 25657 1 157 . 1 1 27 27 LEU HD13 H 1 0.874 0.000 . 2 . . . A 508 LEU HD13 . 25657 1 158 . 1 1 27 27 LEU HD21 H 1 0.820 0.000 . 2 . . . A 508 LEU HD21 . 25657 1 159 . 1 1 27 27 LEU HD22 H 1 0.820 0.000 . 2 . . . A 508 LEU HD22 . 25657 1 160 . 1 1 27 27 LEU HD23 H 1 0.820 0.000 . 2 . . . A 508 LEU HD23 . 25657 1 161 . 1 1 27 27 LEU CA C 13 56.471 0.000 . 1 . . . A 508 LEU CA . 25657 1 162 . 1 1 27 27 LEU CB C 13 43.362 0.000 . 1 . . . A 508 LEU CB . 25657 1 163 . 1 1 27 27 LEU CG C 13 26.829 0.000 . 1 . . . A 508 LEU CG . 25657 1 164 . 1 1 27 27 LEU CD1 C 13 25.073 0.000 . 1 . . . A 508 LEU CD1 . 25657 1 165 . 1 1 27 27 LEU CD2 C 13 23.676 0.000 . 1 . . . A 508 LEU CD2 . 25657 1 166 . 1 1 27 27 LEU N N 15 119.101 0.000 . 1 . . . A 508 LEU N . 25657 1 167 . 1 1 28 28 LEU H H 1 8.043 0.000 . 1 . . . A 509 LEU H . 25657 1 168 . 1 1 28 28 LEU HA H 1 4.387 0.000 . 1 . . . A 509 LEU HA . 25657 1 169 . 1 1 28 28 LEU HB2 H 1 1.544 0.000 . 2 . . . A 509 LEU HB2 . 25657 1 170 . 1 1 28 28 LEU HB3 H 1 1.626 0.000 . 2 . . . A 509 LEU HB3 . 25657 1 171 . 1 1 28 28 LEU HG H 1 1.585 0.000 . 1 . . . A 509 LEU HG . 25657 1 172 . 1 1 28 28 LEU HD11 H 1 0.834 0.000 . 2 . . . A 509 LEU HD11 . 25657 1 173 . 1 1 28 28 LEU HD12 H 1 0.834 0.000 . 2 . . . A 509 LEU HD12 . 25657 1 174 . 1 1 28 28 LEU HD13 H 1 0.834 0.000 . 2 . . . A 509 LEU HD13 . 25657 1 175 . 1 1 28 28 LEU HD21 H 1 0.782 0.000 . 2 . . . A 509 LEU HD21 . 25657 1 176 . 1 1 28 28 LEU HD22 H 1 0.782 0.000 . 2 . . . A 509 LEU HD22 . 25657 1 177 . 1 1 28 28 LEU HD23 H 1 0.782 0.000 . 2 . . . A 509 LEU HD23 . 25657 1 178 . 1 1 28 28 LEU CA C 13 55.073 0.000 . 1 . . . A 509 LEU CA . 25657 1 179 . 1 1 28 28 LEU CB C 13 42.111 0.000 . 1 . . . A 509 LEU CB . 25657 1 180 . 1 1 28 28 LEU CG C 13 26.910 0.000 . 1 . . . A 509 LEU CG . 25657 1 181 . 1 1 28 28 LEU CD1 C 13 24.999 0.000 . 1 . . . A 509 LEU CD1 . 25657 1 182 . 1 1 28 28 LEU CD2 C 13 23.420 0.000 . 1 . . . A 509 LEU CD2 . 25657 1 183 . 1 1 28 28 LEU N N 15 112.199 0.000 . 1 . . . A 509 LEU N . 25657 1 184 . 1 1 29 29 LEU H H 1 9.023 0.000 . 1 . . . A 510 LEU H . 25657 1 185 . 1 1 29 29 LEU HA H 1 3.986 0.000 . 1 . . . A 510 LEU HA . 25657 1 186 . 1 1 29 29 LEU HB2 H 1 1.485 0.000 . 2 . . . A 510 LEU HB2 . 25657 1 187 . 1 1 29 29 LEU HB3 H 1 1.825 0.000 . 2 . . . A 510 LEU HB3 . 25657 1 188 . 1 1 29 29 LEU HG H 1 1.527 0.000 . 1 . . . A 510 LEU HG . 25657 1 189 . 1 1 29 29 LEU HD11 H 1 0.610 0.000 . 2 . . . A 510 LEU HD11 . 25657 1 190 . 1 1 29 29 LEU HD12 H 1 0.610 0.000 . 2 . . . A 510 LEU HD12 . 25657 1 191 . 1 1 29 29 LEU HD13 H 1 0.610 0.000 . 2 . . . A 510 LEU HD13 . 25657 1 192 . 1 1 29 29 LEU HD21 H 1 0.662 0.000 . 2 . . . A 510 LEU HD21 . 25657 1 193 . 1 1 29 29 LEU HD22 H 1 0.662 0.000 . 2 . . . A 510 LEU HD22 . 25657 1 194 . 1 1 29 29 LEU HD23 H 1 0.662 0.000 . 2 . . . A 510 LEU HD23 . 25657 1 195 . 1 1 29 29 LEU CA C 13 59.537 0.000 . 1 . . . A 510 LEU CA . 25657 1 196 . 1 1 29 29 LEU CB C 13 38.809 0.000 . 1 . . . A 510 LEU CB . 25657 1 197 . 1 1 29 29 LEU CG C 13 26.318 0.000 . 1 . . . A 510 LEU CG . 25657 1 198 . 1 1 29 29 LEU CD1 C 13 23.700 0.000 . 1 . . . A 510 LEU CD1 . 25657 1 199 . 1 1 29 29 LEU CD2 C 13 25.640 0.000 . 1 . . . A 510 LEU CD2 . 25657 1 200 . 1 1 29 29 LEU N N 15 124.597 0.000 . 1 . . . A 510 LEU N . 25657 1 201 . 1 1 30 30 PRO HA H 1 4.188 0.000 . 1 . . . A 511 PRO HA . 25657 1 202 . 1 1 30 30 PRO HB2 H 1 2.242 0.000 . 2 . . . A 511 PRO HB2 . 25657 1 203 . 1 1 30 30 PRO HB3 H 1 1.598 0.000 . 2 . . . A 511 PRO HB3 . 25657 1 204 . 1 1 30 30 PRO HG2 H 1 1.825 0.000 . 2 . . . A 511 PRO HG2 . 25657 1 205 . 1 1 30 30 PRO HG3 H 1 1.972 0.000 . 2 . . . A 511 PRO HG3 . 25657 1 206 . 1 1 30 30 PRO HD2 H 1 3.305 0.000 . 2 . . . A 511 PRO HD2 . 25657 1 207 . 1 1 30 30 PRO HD3 H 1 3.520 0.000 . 2 . . . A 511 PRO HD3 . 25657 1 208 . 1 1 30 30 PRO CA C 13 65.159 0.000 . 1 . . . A 511 PRO CA . 25657 1 209 . 1 1 30 30 PRO CB C 13 31.173 0.000 . 1 . . . A 511 PRO CB . 25657 1 210 . 1 1 30 30 PRO CG C 13 28.362 0.000 . 1 . . . A 511 PRO CG . 25657 1 211 . 1 1 30 30 PRO CD C 13 50.594 0.000 . 1 . . . A 511 PRO CD . 25657 1 212 . 1 1 31 31 ILE H H 1 6.740 0.000 . 1 . . . A 512 ILE H . 25657 1 213 . 1 1 31 31 ILE HA H 1 3.555 0.000 . 1 . . . A 512 ILE HA . 25657 1 214 . 1 1 31 31 ILE HB H 1 1.850 0.000 . 1 . . . A 512 ILE HB . 25657 1 215 . 1 1 31 31 ILE HG12 H 1 0.956 0.000 . 2 . . . A 512 ILE HG12 . 25657 1 216 . 1 1 31 31 ILE HG13 H 1 1.535 0.000 . 2 . . . A 512 ILE HG13 . 25657 1 217 . 1 1 31 31 ILE HG21 H 1 0.644 0.000 . 1 . . . A 512 ILE HG21 . 25657 1 218 . 1 1 31 31 ILE HG22 H 1 0.644 0.000 . 1 . . . A 512 ILE HG22 . 25657 1 219 . 1 1 31 31 ILE HG23 H 1 0.644 0.000 . 1 . . . A 512 ILE HG23 . 25657 1 220 . 1 1 31 31 ILE HD11 H 1 0.712 0.000 . 1 . . . A 512 ILE HD11 . 25657 1 221 . 1 1 31 31 ILE HD12 H 1 0.712 0.000 . 1 . . . A 512 ILE HD12 . 25657 1 222 . 1 1 31 31 ILE HD13 H 1 0.712 0.000 . 1 . . . A 512 ILE HD13 . 25657 1 223 . 1 1 31 31 ILE CA C 13 63.626 0.000 . 1 . . . A 512 ILE CA . 25657 1 224 . 1 1 31 31 ILE CB C 13 37.562 0.000 . 1 . . . A 512 ILE CB . 25657 1 225 . 1 1 31 31 ILE CG1 C 13 27.851 0.000 . 1 . . . A 512 ILE CG1 . 25657 1 226 . 1 1 31 31 ILE CG2 C 13 18.639 0.000 . 1 . . . A 512 ILE CG2 . 25657 1 227 . 1 1 31 31 ILE CD1 C 13 12.775 0.000 . 1 . . . A 512 ILE CD1 . 25657 1 228 . 1 1 31 31 ILE N N 15 116.144 0.000 . 1 . . . A 512 ILE N . 25657 1 229 . 1 1 32 32 ALA H H 1 7.742 0.000 . 1 . . . A 513 ALA H . 25657 1 230 . 1 1 32 32 ALA HA H 1 4.001 0.000 . 1 . . . A 513 ALA HA . 25657 1 231 . 1 1 32 32 ALA HB1 H 1 1.206 0.000 . 1 . . . A 513 ALA HB1 . 25657 1 232 . 1 1 32 32 ALA HB2 H 1 1.206 0.000 . 1 . . . A 513 ALA HB2 . 25657 1 233 . 1 1 32 32 ALA HB3 H 1 1.206 0.000 . 1 . . . A 513 ALA HB3 . 25657 1 234 . 1 1 32 32 ALA CA C 13 54.684 0.000 . 1 . . . A 513 ALA CA . 25657 1 235 . 1 1 32 32 ALA CB C 13 17.961 0.000 . 1 . . . A 513 ALA CB . 25657 1 236 . 1 1 32 32 ALA N N 15 120.058 0.000 . 1 . . . A 513 ALA N . 25657 1 237 . 1 1 33 33 ALA H H 1 7.900 0.000 . 1 . . . A 514 ALA H . 25657 1 238 . 1 1 33 33 ALA HA H 1 4.041 0.000 . 1 . . . A 514 ALA HA . 25657 1 239 . 1 1 33 33 ALA HB1 H 1 1.280 0.000 . 1 . . . A 514 ALA HB1 . 25657 1 240 . 1 1 33 33 ALA HB2 H 1 1.280 0.000 . 1 . . . A 514 ALA HB2 . 25657 1 241 . 1 1 33 33 ALA HB3 H 1 1.280 0.000 . 1 . . . A 514 ALA HB3 . 25657 1 242 . 1 1 33 33 ALA CA C 13 51.908 0.000 . 1 . . . A 514 ALA CA . 25657 1 243 . 1 1 33 33 ALA CB C 13 19.430 0.000 . 1 . . . A 514 ALA CB . 25657 1 244 . 1 1 33 33 ALA N N 15 112.305 0.000 . 1 . . . A 514 ALA N . 25657 1 245 . 1 1 34 34 SER H H 1 7.103 0.000 . 1 . . . A 515 SER H . 25657 1 246 . 1 1 34 34 SER HA H 1 4.370 0.000 . 1 . . . A 515 SER HA . 25657 1 247 . 1 1 34 34 SER HB2 H 1 3.931 0.000 . 2 . . . A 515 SER HB2 . 25657 1 248 . 1 1 34 34 SER HB3 H 1 4.097 0.000 . 2 . . . A 515 SER HB3 . 25657 1 249 . 1 1 34 34 SER CA C 13 57.781 0.000 . 1 . . . A 515 SER CA . 25657 1 250 . 1 1 34 34 SER CB C 13 63.115 0.000 . 1 . . . A 515 SER CB . 25657 1 251 . 1 1 34 34 SER N N 15 113.093 0.000 . 1 . . . A 515 SER N . 25657 1 252 . 1 1 35 35 THR H H 1 8.177 0.000 . 1 . . . A 516 THR H . 25657 1 253 . 1 1 35 35 THR HA H 1 4.187 0.000 . 1 . . . A 516 THR HA . 25657 1 254 . 1 1 35 35 THR HB H 1 4.301 0.000 . 1 . . . A 516 THR HB . 25657 1 255 . 1 1 35 35 THR HG21 H 1 0.971 0.000 . 1 . . . A 516 THR HG21 . 25657 1 256 . 1 1 35 35 THR HG22 H 1 0.971 0.000 . 1 . . . A 516 THR HG22 . 25657 1 257 . 1 1 35 35 THR HG23 H 1 0.971 0.000 . 1 . . . A 516 THR HG23 . 25657 1 258 . 1 1 35 35 THR CA C 13 62.093 0.000 . 1 . . . A 516 THR CA . 25657 1 259 . 1 1 35 35 THR CB C 13 67.714 0.000 . 1 . . . A 516 THR CB . 25657 1 260 . 1 1 35 35 THR CG2 C 13 21.484 0.000 . 1 . . . A 516 THR CG2 . 25657 1 261 . 1 1 35 35 THR N N 15 115.903 0.000 . 1 . . . A 516 THR N . 25657 1 262 . 1 1 36 36 ASP H H 1 8.295 0.000 . 1 . . . A 517 ASP H . 25657 1 263 . 1 1 36 36 ASP HA H 1 4.574 0.000 . 1 . . . A 517 ASP HA . 25657 1 264 . 1 1 36 36 ASP HB2 H 1 2.524 0.000 . 2 . . . A 517 ASP HB2 . 25657 1 265 . 1 1 36 36 ASP HB3 H 1 2.674 0.000 . 2 . . . A 517 ASP HB3 . 25657 1 266 . 1 1 36 36 ASP CA C 13 54.171 0.000 . 1 . . . A 517 ASP CA . 25657 1 267 . 1 1 36 36 ASP CB C 13 41.139 0.000 . 1 . . . A 517 ASP CB . 25657 1 268 . 1 1 36 36 ASP N N 15 118.302 0.000 . 1 . . . A 517 ASP N . 25657 1 269 . 1 1 37 37 LEU H H 1 7.150 0.000 . 1 . . . A 518 LEU H . 25657 1 270 . 1 1 37 37 LEU HA H 1 4.531 0.000 . 1 . . . A 518 LEU HA . 25657 1 271 . 1 1 37 37 LEU HB2 H 1 1.312 0.000 . 2 . . . A 518 LEU HB2 . 25657 1 272 . 1 1 37 37 LEU HB3 H 1 1.628 0.000 . 2 . . . A 518 LEU HB3 . 25657 1 273 . 1 1 37 37 LEU HG H 1 1.765 0.000 . 1 . . . A 518 LEU HG . 25657 1 274 . 1 1 37 37 LEU HD11 H 1 1.008 0.000 . 2 . . . A 518 LEU HD11 . 25657 1 275 . 1 1 37 37 LEU HD12 H 1 1.008 0.000 . 2 . . . A 518 LEU HD12 . 25657 1 276 . 1 1 37 37 LEU HD13 H 1 1.008 0.000 . 2 . . . A 518 LEU HD13 . 25657 1 277 . 1 1 37 37 LEU HD21 H 1 0.924 0.000 . 2 . . . A 518 LEU HD21 . 25657 1 278 . 1 1 37 37 LEU HD22 H 1 0.924 0.000 . 2 . . . A 518 LEU HD22 . 25657 1 279 . 1 1 37 37 LEU HD23 H 1 0.924 0.000 . 2 . . . A 518 LEU HD23 . 25657 1 280 . 1 1 37 37 LEU CA C 13 53.050 0.000 . 1 . . . A 518 LEU CA . 25657 1 281 . 1 1 37 37 LEU CB C 13 40.884 0.000 . 1 . . . A 518 LEU CB . 25657 1 282 . 1 1 37 37 LEU CG C 13 26.318 0.000 . 1 . . . A 518 LEU CG . 25657 1 283 . 1 1 37 37 LEU CD1 C 13 26.598 0.000 . 1 . . . A 518 LEU CD1 . 25657 1 284 . 1 1 37 37 LEU CD2 C 13 22.600 0.000 . 1 . . . A 518 LEU CD2 . 25657 1 285 . 1 1 37 37 LEU N N 15 121.136 0.000 . 1 . . . A 518 LEU N . 25657 1 286 . 1 1 38 38 PRO HA H 1 4.385 0.000 . 1 . . . A 519 PRO HA . 25657 1 287 . 1 1 38 38 PRO HB2 H 1 2.455 0.000 . 2 . . . A 519 PRO HB2 . 25657 1 288 . 1 1 38 38 PRO HB3 H 1 1.891 0.000 . 2 . . . A 519 PRO HB3 . 25657 1 289 . 1 1 38 38 PRO HG2 H 1 1.777 0.000 . 2 . . . A 519 PRO HG2 . 25657 1 290 . 1 1 38 38 PRO HG3 H 1 2.003 0.000 . 2 . . . A 519 PRO HG3 . 25657 1 291 . 1 1 38 38 PRO HD2 H 1 3.487 0.000 . 2 . . . A 519 PRO HD2 . 25657 1 292 . 1 1 38 38 PRO HD3 H 1 3.800 0.000 . 2 . . . A 519 PRO HD3 . 25657 1 293 . 1 1 38 38 PRO CA C 13 63.115 0.000 . 1 . . . A 519 PRO CA . 25657 1 294 . 1 1 38 38 PRO CB C 13 32.195 0.000 . 1 . . . A 519 PRO CB . 25657 1 295 . 1 1 38 38 PRO CG C 13 27.340 0.000 . 1 . . . A 519 PRO CG . 25657 1 296 . 1 1 38 38 PRO CD C 13 50.338 0.000 . 1 . . . A 519 PRO CD . 25657 1 297 . 1 1 39 39 ILE H H 1 8.655 0.000 . 1 . . . A 520 ILE H . 25657 1 298 . 1 1 39 39 ILE HA H 1 3.760 0.000 . 1 . . . A 520 ILE HA . 25657 1 299 . 1 1 39 39 ILE HB H 1 1.656 0.000 . 1 . . . A 520 ILE HB . 25657 1 300 . 1 1 39 39 ILE HG12 H 1 1.122 0.000 . 2 . . . A 520 ILE HG12 . 25657 1 301 . 1 1 39 39 ILE HG13 H 1 1.167 0.000 . 2 . . . A 520 ILE HG13 . 25657 1 302 . 1 1 39 39 ILE HG21 H 1 1.023 0.000 . 1 . . . A 520 ILE HG21 . 25657 1 303 . 1 1 39 39 ILE HG22 H 1 1.023 0.000 . 1 . . . A 520 ILE HG22 . 25657 1 304 . 1 1 39 39 ILE HG23 H 1 1.023 0.000 . 1 . . . A 520 ILE HG23 . 25657 1 305 . 1 1 39 39 ILE HD11 H 1 0.717 0.000 . 1 . . . A 520 ILE HD11 . 25657 1 306 . 1 1 39 39 ILE HD12 H 1 0.717 0.000 . 1 . . . A 520 ILE HD12 . 25657 1 307 . 1 1 39 39 ILE HD13 H 1 0.717 0.000 . 1 . . . A 520 ILE HD13 . 25657 1 308 . 1 1 39 39 ILE CA C 13 63.881 0.000 . 1 . . . A 520 ILE CA . 25657 1 309 . 1 1 39 39 ILE CB C 13 37.817 0.000 . 1 . . . A 520 ILE CB . 25657 1 310 . 1 1 39 39 ILE CG1 C 13 29.385 0.000 . 1 . . . A 520 ILE CG1 . 25657 1 311 . 1 1 39 39 ILE CG2 C 13 16.522 0.000 . 1 . . . A 520 ILE CG2 . 25657 1 312 . 1 1 39 39 ILE CD1 C 13 14.272 0.000 . 1 . . . A 520 ILE CD1 . 25657 1 313 . 1 1 39 39 ILE N N 15 124.919 0.000 . 1 . . . A 520 ILE N . 25657 1 314 . 1 1 41 41 THR H H 1 6.636 0.000 . 1 . . . A 522 THR H . 25657 1 315 . 1 1 41 41 THR HA H 1 3.647 0.000 . 1 . . . A 522 THR HA . 25657 1 316 . 1 1 41 41 THR HB H 1 3.781 0.000 . 1 . . . A 522 THR HB . 25657 1 317 . 1 1 41 41 THR HG21 H 1 1.046 0.000 . 1 . . . A 522 THR HG21 . 25657 1 318 . 1 1 41 41 THR HG22 H 1 1.046 0.000 . 1 . . . A 522 THR HG22 . 25657 1 319 . 1 1 41 41 THR HG23 H 1 1.046 0.000 . 1 . . . A 522 THR HG23 . 25657 1 320 . 1 1 41 41 THR CA C 13 65.670 0.000 . 1 . . . A 522 THR CA . 25657 1 321 . 1 1 41 41 THR CB C 13 68.481 0.000 . 1 . . . A 522 THR CB . 25657 1 322 . 1 1 41 41 THR CG2 C 13 21.974 0.000 . 1 . . . A 522 THR CG2 . 25657 1 323 . 1 1 41 41 THR N N 15 114.698 0.000 . 1 . . . A 522 THR N . 25657 1 324 . 1 1 42 42 ALA H H 1 7.251 0.000 . 1 . . . A 523 ALA H . 25657 1 325 . 1 1 42 42 ALA HA H 1 3.940 0.000 . 1 . . . A 523 ALA HA . 25657 1 326 . 1 1 42 42 ALA HB1 H 1 1.323 0.000 . 1 . . . A 523 ALA HB1 . 25657 1 327 . 1 1 42 42 ALA HB2 H 1 1.323 0.000 . 1 . . . A 523 ALA HB2 . 25657 1 328 . 1 1 42 42 ALA HB3 H 1 1.323 0.000 . 1 . . . A 523 ALA HB3 . 25657 1 329 . 1 1 42 42 ALA CA C 13 55.415 0.000 . 1 . . . A 523 ALA CA . 25657 1 330 . 1 1 42 42 ALA CB C 13 18.392 0.000 . 1 . . . A 523 ALA CB . 25657 1 331 . 1 1 42 42 ALA N N 15 122.860 0.000 . 1 . . . A 523 ALA N . 25657 1 332 . 1 1 43 43 ALA H H 1 9.218 0.000 . 1 . . . A 524 ALA H . 25657 1 333 . 1 1 43 43 ALA HA H 1 3.932 0.000 . 1 . . . A 524 ALA HA . 25657 1 334 . 1 1 43 43 ALA HB1 H 1 1.517 0.000 . 1 . . . A 524 ALA HB1 . 25657 1 335 . 1 1 43 43 ALA HB2 H 1 1.517 0.000 . 1 . . . A 524 ALA HB2 . 25657 1 336 . 1 1 43 43 ALA HB3 H 1 1.517 0.000 . 1 . . . A 524 ALA HB3 . 25657 1 337 . 1 1 43 43 ALA CA C 13 55.193 0.000 . 1 . . . A 524 ALA CA . 25657 1 338 . 1 1 43 43 ALA CB C 13 18.652 0.000 . 1 . . . A 524 ALA CB . 25657 1 339 . 1 1 43 43 ALA N N 15 121.541 0.000 . 1 . . . A 524 ALA N . 25657 1 340 . 1 1 45 45 ALA HA H 1 3.886 0.000 . 1 . . . A 526 ALA HA . 25657 1 341 . 1 1 45 45 ALA HB1 H 1 1.379 0.000 . 1 . . . A 526 ALA HB1 . 25657 1 342 . 1 1 45 45 ALA HB2 H 1 1.379 0.000 . 1 . . . A 526 ALA HB2 . 25657 1 343 . 1 1 45 45 ALA HB3 H 1 1.379 0.000 . 1 . . . A 526 ALA HB3 . 25657 1 344 . 1 1 45 45 ALA CA C 13 55.544 0.000 . 1 . . . A 526 ALA CA . 25657 1 345 . 1 1 45 45 ALA CB C 13 18.113 0.000 . 1 . . . A 526 ALA CB . 25657 1 346 . 1 1 46 46 SER HA H 1 3.932 0.000 . 1 . . . A 527 SER HA . 25657 1 347 . 1 1 46 46 SER HB2 H 1 3.856 0.000 . 2 . . . A 527 SER HB2 . 25657 1 348 . 1 1 46 46 SER HB3 H 1 3.856 0.000 . 2 . . . A 527 SER HB3 . 25657 1 349 . 1 1 46 46 SER CA C 13 60.304 0.000 . 1 . . . A 527 SER CA . 25657 1 350 . 1 1 46 46 SER CB C 13 62.859 0.000 . 1 . . . A 527 SER CB . 25657 1 351 . 1 1 47 47 LEU HA H 1 4.030 0.000 . 1 . . . A 528 LEU HA . 25657 1 352 . 1 1 47 47 LEU HB2 H 1 1.544 0.000 . 2 . . . A 528 LEU HB2 . 25657 1 353 . 1 1 47 47 LEU HB3 H 1 1.723 0.000 . 2 . . . A 528 LEU HB3 . 25657 1 354 . 1 1 47 47 LEU HG H 1 1.625 0.000 . 1 . . . A 528 LEU HG . 25657 1 355 . 1 1 47 47 LEU HD11 H 1 0.858 0.000 . 2 . . . A 528 LEU HD11 . 25657 1 356 . 1 1 47 47 LEU HD12 H 1 0.858 0.000 . 2 . . . A 528 LEU HD12 . 25657 1 357 . 1 1 47 47 LEU HD13 H 1 0.858 0.000 . 2 . . . A 528 LEU HD13 . 25657 1 358 . 1 1 47 47 LEU HD21 H 1 0.800 0.000 . 2 . . . A 528 LEU HD21 . 25657 1 359 . 1 1 47 47 LEU HD22 H 1 0.800 0.000 . 2 . . . A 528 LEU HD22 . 25657 1 360 . 1 1 47 47 LEU HD23 H 1 0.800 0.000 . 2 . . . A 528 LEU HD23 . 25657 1 361 . 1 1 47 47 LEU CA C 13 57.252 0.000 . 1 . . . A 528 LEU CA . 25657 1 362 . 1 1 47 47 LEU CB C 13 41.555 0.000 . 1 . . . A 528 LEU CB . 25657 1 363 . 1 1 47 47 LEU CG C 13 26.574 0.000 . 1 . . . A 528 LEU CG . 25657 1 364 . 1 1 47 47 LEU CD1 C 13 24.530 0.000 . 1 . . . A 528 LEU CD1 . 25657 1 365 . 1 1 47 47 LEU CD2 C 13 23.409 0.000 . 1 . . . A 528 LEU CD2 . 25657 1 366 . 1 1 48 48 ALA HA H 1 4.312 0.000 . 1 . . . A 529 ALA HA . 25657 1 367 . 1 1 48 48 ALA HB1 H 1 1.350 0.000 . 1 . . . A 529 ALA HB1 . 25657 1 368 . 1 1 48 48 ALA HB2 H 1 1.350 0.000 . 1 . . . A 529 ALA HB2 . 25657 1 369 . 1 1 48 48 ALA HB3 H 1 1.350 0.000 . 1 . . . A 529 ALA HB3 . 25657 1 370 . 1 1 48 48 ALA CA C 13 52.127 0.000 . 1 . . . A 529 ALA CA . 25657 1 371 . 1 1 48 48 ALA CB C 13 18.908 0.000 . 1 . . . A 529 ALA CB . 25657 1 372 . 1 1 49 49 LEU HA H 1 3.931 0.000 . 1 . . . A 530 LEU HA . 25657 1 373 . 1 1 49 49 LEU HB2 H 1 1.275 0.000 . 2 . . . A 530 LEU HB2 . 25657 1 374 . 1 1 49 49 LEU HB3 H 1 2.079 0.000 . 2 . . . A 530 LEU HB3 . 25657 1 375 . 1 1 49 49 LEU HD11 H 1 0.653 0.000 . 2 . . . A 530 LEU HD11 . 25657 1 376 . 1 1 49 49 LEU HD12 H 1 0.653 0.000 . 2 . . . A 530 LEU HD12 . 25657 1 377 . 1 1 49 49 LEU HD13 H 1 0.653 0.000 . 2 . . . A 530 LEU HD13 . 25657 1 378 . 1 1 49 49 LEU HD21 H 1 0.917 0.000 . 2 . . . A 530 LEU HD21 . 25657 1 379 . 1 1 49 49 LEU HD22 H 1 0.917 0.000 . 2 . . . A 530 LEU HD22 . 25657 1 380 . 1 1 49 49 LEU HD23 H 1 0.917 0.000 . 2 . . . A 530 LEU HD23 . 25657 1 381 . 1 1 49 49 LEU CA C 13 57.493 0.000 . 1 . . . A 530 LEU CA . 25657 1 382 . 1 1 49 49 LEU CB C 13 42.161 0.000 . 1 . . . A 530 LEU CB . 25657 1 383 . 1 1 49 49 LEU CD1 C 13 25.180 0.000 . 1 . . . A 530 LEU CD1 . 25657 1 384 . 1 1 49 49 LEU CD2 C 13 24.274 0.000 . 1 . . . A 530 LEU CD2 . 25657 1 385 . 1 1 50 50 ALA H H 1 8.675 0.000 . 1 . . . A 531 ALA H . 25657 1 386 . 1 1 50 50 ALA HA H 1 3.875 0.000 . 1 . . . A 531 ALA HA . 25657 1 387 . 1 1 50 50 ALA HB1 H 1 1.607 0.000 . 1 . . . A 531 ALA HB1 . 25657 1 388 . 1 1 50 50 ALA HB2 H 1 1.607 0.000 . 1 . . . A 531 ALA HB2 . 25657 1 389 . 1 1 50 50 ALA HB3 H 1 1.607 0.000 . 1 . . . A 531 ALA HB3 . 25657 1 390 . 1 1 50 50 ALA CA C 13 55.704 0.000 . 1 . . . A 531 ALA CA . 25657 1 391 . 1 1 50 50 ALA CB C 13 19.842 0.000 . 1 . . . A 531 ALA CB . 25657 1 392 . 1 1 50 50 ALA N N 15 121.603 0.000 . 1 . . . A 531 ALA N . 25657 1 393 . 1 1 52 52 VAL HA H 1 4.073 0.000 . 1 . . . A 533 VAL HA . 25657 1 394 . 1 1 52 52 VAL HB H 1 2.544 0.000 . 1 . . . A 533 VAL HB . 25657 1 395 . 1 1 52 52 VAL HG11 H 1 0.890 0.000 . 2 . . . A 533 VAL HG11 . 25657 1 396 . 1 1 52 52 VAL HG12 H 1 0.890 0.000 . 2 . . . A 533 VAL HG12 . 25657 1 397 . 1 1 52 52 VAL HG13 H 1 0.890 0.000 . 2 . . . A 533 VAL HG13 . 25657 1 398 . 1 1 52 52 VAL HG21 H 1 1.220 0.000 . 2 . . . A 533 VAL HG21 . 25657 1 399 . 1 1 52 52 VAL HG22 H 1 1.220 0.000 . 2 . . . A 533 VAL HG22 . 25657 1 400 . 1 1 52 52 VAL HG23 H 1 1.220 0.000 . 2 . . . A 533 VAL HG23 . 25657 1 401 . 1 1 52 52 VAL CA C 13 66.437 0.000 . 1 . . . A 533 VAL CA . 25657 1 402 . 1 1 52 52 VAL CB C 13 31.684 0.000 . 1 . . . A 533 VAL CB . 25657 1 403 . 1 1 52 52 VAL CG1 C 13 23.085 0.000 . 1 . . . A 533 VAL CG1 . 25657 1 404 . 1 1 52 52 VAL CG2 C 13 23.409 0.000 . 1 . . . A 533 VAL CG2 . 25657 1 405 . 1 1 53 53 PHE HD1 H 1 7.410 0.000 . 3 . . . A 534 PHE HD1 . 25657 1 406 . 1 1 53 53 PHE HD2 H 1 7.410 0.000 . 3 . . . A 534 PHE HD2 . 25657 1 407 . 1 1 53 53 PHE HE1 H 1 7.148 0.000 . 3 . . . A 534 PHE HE1 . 25657 1 408 . 1 1 53 53 PHE HE2 H 1 7.148 0.000 . 3 . . . A 534 PHE HE2 . 25657 1 409 . 1 1 53 53 PHE HZ H 1 6.964 0.000 . 1 . . . A 534 PHE HZ . 25657 1 410 . 1 1 54 54 VAL H H 1 6.624 0.000 . 1 . . . A 535 VAL H . 25657 1 411 . 1 1 54 54 VAL HA H 1 4.047 0.000 . 1 . . . A 535 VAL HA . 25657 1 412 . 1 1 54 54 VAL HB H 1 2.269 0.000 . 1 . . . A 535 VAL HB . 25657 1 413 . 1 1 54 54 VAL HG11 H 1 1.013 0.000 . 2 . . . A 535 VAL HG11 . 25657 1 414 . 1 1 54 54 VAL HG12 H 1 1.013 0.000 . 2 . . . A 535 VAL HG12 . 25657 1 415 . 1 1 54 54 VAL HG13 H 1 1.013 0.000 . 2 . . . A 535 VAL HG13 . 25657 1 416 . 1 1 54 54 VAL HG21 H 1 1.035 0.000 . 2 . . . A 535 VAL HG21 . 25657 1 417 . 1 1 54 54 VAL HG22 H 1 1.035 0.000 . 2 . . . A 535 VAL HG22 . 25657 1 418 . 1 1 54 54 VAL HG23 H 1 1.035 0.000 . 2 . . . A 535 VAL HG23 . 25657 1 419 . 1 1 54 54 VAL CA C 13 62.093 0.000 . 1 . . . A 535 VAL CA . 25657 1 420 . 1 1 54 54 VAL CB C 13 30.918 0.000 . 1 . . . A 535 VAL CB . 25657 1 421 . 1 1 54 54 VAL CG1 C 13 18.872 0.000 . 1 . . . A 535 VAL CG1 . 25657 1 422 . 1 1 54 54 VAL CG2 C 13 21.156 0.000 . 1 . . . A 535 VAL CG2 . 25657 1 423 . 1 1 54 54 VAL N N 15 125.207 0.000 . 1 . . . A 535 VAL N . 25657 1 424 . 1 1 55 55 GLY H H 1 7.749 0.000 . 1 . . . A 536 GLY H . 25657 1 425 . 1 1 55 55 GLY HA2 H 1 3.686 0.000 . 2 . . . A 536 GLY HA2 . 25657 1 426 . 1 1 55 55 GLY HA3 H 1 4.208 0.000 . 2 . . . A 536 GLY HA3 . 25657 1 427 . 1 1 55 55 GLY CA C 13 45.994 0.000 . 1 . . . A 536 GLY CA . 25657 1 428 . 1 1 55 55 GLY N N 15 106.145 0.000 . 1 . . . A 536 GLY N . 25657 1 429 . 1 1 56 56 THR H H 1 7.962 0.000 . 1 . . . A 537 THR H . 25657 1 430 . 1 1 56 56 THR HA H 1 4.262 0.000 . 1 . . . A 537 THR HA . 25657 1 431 . 1 1 56 56 THR HB H 1 4.444 0.000 . 1 . . . A 537 THR HB . 25657 1 432 . 1 1 56 56 THR HG21 H 1 1.299 0.000 . 1 . . . A 537 THR HG21 . 25657 1 433 . 1 1 56 56 THR HG22 H 1 1.299 0.000 . 1 . . . A 537 THR HG22 . 25657 1 434 . 1 1 56 56 THR HG23 H 1 1.299 0.000 . 1 . . . A 537 THR HG23 . 25657 1 435 . 1 1 56 56 THR CA C 13 62.604 0.000 . 1 . . . A 537 THR CA . 25657 1 436 . 1 1 56 56 THR CB C 13 72.058 0.000 . 1 . . . A 537 THR CB . 25657 1 437 . 1 1 56 56 THR CG2 C 13 21.208 0.000 . 1 . . . A 537 THR CG2 . 25657 1 438 . 1 1 56 56 THR N N 15 116.707 0.000 . 1 . . . A 537 THR N . 25657 1 439 . 1 1 57 57 CYS H H 1 8.598 0.000 . 1 . . . A 538 CYS H . 25657 1 440 . 1 1 57 57 CYS HA H 1 4.308 0.000 . 1 . . . A 538 CYS HA . 25657 1 441 . 1 1 57 57 CYS HB2 H 1 2.557 0.000 . 2 . . . A 538 CYS HB2 . 25657 1 442 . 1 1 57 57 CYS HB3 H 1 3.412 0.000 . 2 . . . A 538 CYS HB3 . 25657 1 443 . 1 1 57 57 CYS CA C 13 57.749 0.000 . 1 . . . A 538 CYS CA . 25657 1 444 . 1 1 57 57 CYS CB C 13 36.284 0.000 . 1 . . . A 538 CYS CB . 25657 1 445 . 1 1 57 57 CYS N N 15 114.912 0.000 . 1 . . . A 538 CYS N . 25657 1 446 . 1 1 58 58 ASN H H 1 6.886 0.000 . 1 . . . A 539 ASN H . 25657 1 447 . 1 1 58 58 ASN HA H 1 4.121 0.000 . 1 . . . A 539 ASN HA . 25657 1 448 . 1 1 58 58 ASN HB2 H 1 2.239 0.000 . 2 . . . A 539 ASN HB2 . 25657 1 449 . 1 1 58 58 ASN HB3 H 1 2.940 0.000 . 2 . . . A 539 ASN HB3 . 25657 1 450 . 1 1 58 58 ASN CA C 13 56.215 0.000 . 1 . . . A 539 ASN CA . 25657 1 451 . 1 1 58 58 ASN CB C 13 40.628 0.000 . 1 . . . A 539 ASN CB . 25657 1 452 . 1 1 58 58 ASN N N 15 114.935 0.000 . 1 . . . A 539 ASN N . 25657 1 453 . 1 1 59 59 GLY H H 1 9.345 0.000 . 1 . . . A 540 GLY H . 25657 1 454 . 1 1 59 59 GLY HA2 H 1 3.749 0.000 . 2 . . . A 540 GLY HA2 . 25657 1 455 . 1 1 59 59 GLY HA3 H 1 4.021 0.000 . 2 . . . A 540 GLY HA3 . 25657 1 456 . 1 1 59 59 GLY CA C 13 47.527 0.000 . 1 . . . A 540 GLY CA . 25657 1 457 . 1 1 59 59 GLY N N 15 120.207 0.000 . 1 . . . A 540 GLY N . 25657 1 458 . 1 1 60 60 ASP H H 1 7.768 0.000 . 1 . . . A 541 ASP H . 25657 1 459 . 1 1 60 60 ASP HA H 1 4.442 0.000 . 1 . . . A 541 ASP HA . 25657 1 460 . 1 1 60 60 ASP HB2 H 1 2.455 0.000 . 2 . . . A 541 ASP HB2 . 25657 1 461 . 1 1 60 60 ASP HB3 H 1 2.706 0.000 . 2 . . . A 541 ASP HB3 . 25657 1 462 . 1 1 60 60 ASP CA C 13 57.493 0.000 . 1 . . . A 541 ASP CA . 25657 1 463 . 1 1 60 60 ASP CB C 13 39.861 0.000 . 1 . . . A 541 ASP CB . 25657 1 464 . 1 1 60 60 ASP N N 15 123.940 0.000 . 1 . . . A 541 ASP N . 25657 1 465 . 1 1 61 61 ILE H H 1 8.866 0.000 . 1 . . . A 542 ILE H . 25657 1 466 . 1 1 61 61 ILE HA H 1 3.423 0.000 . 1 . . . A 542 ILE HA . 25657 1 467 . 1 1 61 61 ILE HB H 1 1.457 0.000 . 1 . . . A 542 ILE HB . 25657 1 468 . 1 1 61 61 ILE HG12 H 1 0.426 0.000 . 2 . . . A 542 ILE HG12 . 25657 1 469 . 1 1 61 61 ILE HG13 H 1 1.364 0.000 . 2 . . . A 542 ILE HG13 . 25657 1 470 . 1 1 61 61 ILE HG21 H 1 0.793 0.000 . 1 . . . A 542 ILE HG21 . 25657 1 471 . 1 1 61 61 ILE HG22 H 1 0.793 0.000 . 1 . . . A 542 ILE HG22 . 25657 1 472 . 1 1 61 61 ILE HG23 H 1 0.793 0.000 . 1 . . . A 542 ILE HG23 . 25657 1 473 . 1 1 61 61 ILE HD11 H 1 0.259 0.000 . 1 . . . A 542 ILE HD11 . 25657 1 474 . 1 1 61 61 ILE HD12 H 1 0.259 0.000 . 1 . . . A 542 ILE HD12 . 25657 1 475 . 1 1 61 61 ILE HD13 H 1 0.259 0.000 . 1 . . . A 542 ILE HD13 . 25657 1 476 . 1 1 61 61 ILE CA C 13 64.903 0.000 . 1 . . . A 542 ILE CA . 25657 1 477 . 1 1 61 61 ILE CB C 13 37.562 0.000 . 1 . . . A 542 ILE CB . 25657 1 478 . 1 1 61 61 ILE CG1 C 13 28.874 0.000 . 1 . . . A 542 ILE CG1 . 25657 1 479 . 1 1 61 61 ILE CG2 C 13 18.908 0.000 . 1 . . . A 542 ILE CG2 . 25657 1 480 . 1 1 61 61 ILE CD1 C 13 15.132 0.000 . 1 . . . A 542 ILE CD1 . 25657 1 481 . 1 1 61 61 ILE N N 15 121.748 0.000 . 1 . . . A 542 ILE N . 25657 1 482 . 1 1 62 62 THR H H 1 8.047 0.000 . 1 . . . A 543 THR H . 25657 1 483 . 1 1 62 62 THR HA H 1 3.535 0.000 . 1 . . . A 543 THR HA . 25657 1 484 . 1 1 62 62 THR HB H 1 4.523 0.000 . 1 . . . A 543 THR HB . 25657 1 485 . 1 1 62 62 THR HG21 H 1 1.226 0.000 . 1 . . . A 543 THR HG21 . 25657 1 486 . 1 1 62 62 THR HG22 H 1 1.226 0.000 . 1 . . . A 543 THR HG22 . 25657 1 487 . 1 1 62 62 THR HG23 H 1 1.226 0.000 . 1 . . . A 543 THR HG23 . 25657 1 488 . 1 1 62 62 THR CA C 13 68.481 0.000 . 1 . . . A 543 THR CA . 25657 1 489 . 1 1 62 62 THR CB C 13 68.481 0.000 . 1 . . . A 543 THR CB . 25657 1 490 . 1 1 62 62 THR CG2 C 13 20.985 0.000 . 1 . . . A 543 THR CG2 . 25657 1 491 . 1 1 62 62 THR N N 15 117.103 0.000 . 1 . . . A 543 THR N . 25657 1 492 . 1 1 63 63 THR H H 1 8.240 0.000 . 1 . . . A 544 THR H . 25657 1 493 . 1 1 63 63 THR HA H 1 3.749 0.000 . 1 . . . A 544 THR HA . 25657 1 494 . 1 1 63 63 THR HB H 1 4.181 0.000 . 1 . . . A 544 THR HB . 25657 1 495 . 1 1 63 63 THR HG21 H 1 1.210 0.000 . 1 . . . A 544 THR HG21 . 25657 1 496 . 1 1 63 63 THR HG22 H 1 1.210 0.000 . 1 . . . A 544 THR HG22 . 25657 1 497 . 1 1 63 63 THR HG23 H 1 1.210 0.000 . 1 . . . A 544 THR HG23 . 25657 1 498 . 1 1 63 63 THR CA C 13 66.692 0.000 . 1 . . . A 544 THR CA . 25657 1 499 . 1 1 63 63 THR CB C 13 68.736 0.000 . 1 . . . A 544 THR CB . 25657 1 500 . 1 1 63 63 THR CG2 C 13 21.774 0.000 . 1 . . . A 544 THR CG2 . 25657 1 501 . 1 1 63 63 THR N N 15 117.176 0.000 . 1 . . . A 544 THR N . 25657 1 502 . 1 1 64 64 SER H H 1 7.407 0.000 . 1 . . . A 545 SER H . 25657 1 503 . 1 1 64 64 SER HA H 1 4.165 0.000 . 1 . . . A 545 SER HA . 25657 1 504 . 1 1 64 64 SER HB2 H 1 3.495 0.000 . 2 . . . A 545 SER HB2 . 25657 1 505 . 1 1 64 64 SER HB3 H 1 3.731 0.000 . 2 . . . A 545 SER HB3 . 25657 1 506 . 1 1 64 64 SER CA C 13 62.348 0.000 . 1 . . . A 545 SER CA . 25657 1 507 . 1 1 64 64 SER CB C 13 62.348 0.000 . 1 . . . A 545 SER CB . 25657 1 508 . 1 1 64 64 SER N N 15 117.103 0.000 . 1 . . . A 545 SER N . 25657 1 509 . 1 1 65 65 ILE H H 1 7.830 0.000 . 1 . . . A 546 ILE H . 25657 1 510 . 1 1 65 65 ILE HA H 1 3.463 0.000 . 1 . . . A 546 ILE HA . 25657 1 511 . 1 1 65 65 ILE HB H 1 1.871 0.000 . 1 . . . A 546 ILE HB . 25657 1 512 . 1 1 65 65 ILE HG12 H 1 0.781 0.000 . 2 . . . A 546 ILE HG12 . 25657 1 513 . 1 1 65 65 ILE HG13 H 1 0.781 0.000 . 2 . . . A 546 ILE HG13 . 25657 1 514 . 1 1 65 65 ILE HG21 H 1 0.924 0.000 . 1 . . . A 546 ILE HG21 . 25657 1 515 . 1 1 65 65 ILE HG22 H 1 0.924 0.000 . 1 . . . A 546 ILE HG22 . 25657 1 516 . 1 1 65 65 ILE HG23 H 1 0.924 0.000 . 1 . . . A 546 ILE HG23 . 25657 1 517 . 1 1 65 65 ILE HD11 H 1 0.775 0.000 . 1 . . . A 546 ILE HD11 . 25657 1 518 . 1 1 65 65 ILE HD12 H 1 0.775 0.000 . 1 . . . A 546 ILE HD12 . 25657 1 519 . 1 1 65 65 ILE HD13 H 1 0.775 0.000 . 1 . . . A 546 ILE HD13 . 25657 1 520 . 1 1 65 65 ILE CA C 13 66.242 0.000 . 1 . . . A 546 ILE CA . 25657 1 521 . 1 1 65 65 ILE CB C 13 38.328 0.000 . 1 . . . A 546 ILE CB . 25657 1 522 . 1 1 65 65 ILE CG1 C 13 28.874 0.000 . 1 . . . A 546 ILE CG1 . 25657 1 523 . 1 1 65 65 ILE CG2 C 13 17.886 0.000 . 1 . . . A 546 ILE CG2 . 25657 1 524 . 1 1 65 65 ILE CD1 C 13 15.251 0.000 . 1 . . . A 546 ILE CD1 . 25657 1 525 . 1 1 65 65 ILE N N 15 122.380 0.000 . 1 . . . A 546 ILE N . 25657 1 526 . 1 1 66 66 MET H H 1 8.524 0.000 . 1 . . . A 547 MET H . 25657 1 527 . 1 1 66 66 MET HA H 1 4.498 0.000 . 1 . . . A 547 MET HA . 25657 1 528 . 1 1 66 66 MET HB2 H 1 2.072 0.000 . 2 . . . A 547 MET HB2 . 25657 1 529 . 1 1 66 66 MET HB3 H 1 2.242 0.000 . 2 . . . A 547 MET HB3 . 25657 1 530 . 1 1 66 66 MET HG2 H 1 2.648 0.000 . 2 . . . A 547 MET HG2 . 25657 1 531 . 1 1 66 66 MET HG3 H 1 2.721 0.000 . 2 . . . A 547 MET HG3 . 25657 1 532 . 1 1 66 66 MET HE1 H 1 1.909 0.000 . 1 . . . A 547 MET HE1 . 25657 1 533 . 1 1 66 66 MET HE2 H 1 1.909 0.000 . 1 . . . A 547 MET HE2 . 25657 1 534 . 1 1 66 66 MET HE3 H 1 1.909 0.000 . 1 . . . A 547 MET HE3 . 25657 1 535 . 1 1 66 66 MET CA C 13 56.982 0.000 . 1 . . . A 547 MET CA . 25657 1 536 . 1 1 66 66 MET CB C 13 30.197 0.000 . 1 . . . A 547 MET CB . 25657 1 537 . 1 1 66 66 MET CG C 13 31.940 0.000 . 1 . . . A 547 MET CG . 25657 1 538 . 1 1 66 66 MET CE C 13 16.097 0.000 . 1 . . . A 547 MET CE . 25657 1 539 . 1 1 66 66 MET N N 15 117.942 0.000 . 1 . . . A 547 MET N . 25657 1 540 . 1 1 67 67 ASP H H 1 8.820 0.000 . 1 . . . A 548 ASP H . 25657 1 541 . 1 1 67 67 ASP HA H 1 4.498 0.000 . 1 . . . A 548 ASP HA . 25657 1 542 . 1 1 67 67 ASP HB2 H 1 2.399 0.000 . 1 . . . A 548 ASP HB2 . 25657 1 543 . 1 1 67 67 ASP HB3 H 1 2.787 0.000 . 1 . . . A 548 ASP HB3 . 25657 1 544 . 1 1 67 67 ASP CA C 13 57.493 0.000 . 1 . . . A 548 ASP CA . 25657 1 545 . 1 1 67 67 ASP CB C 13 39.350 0.000 . 1 . . . A 548 ASP CB . 25657 1 546 . 1 1 67 67 ASP N N 15 119.475 0.000 . 1 . . . A 548 ASP N . 25657 1 547 . 1 1 68 68 ASN H H 1 7.443 0.000 . 1 . . . A 549 ASN H . 25657 1 548 . 1 1 68 68 ASN HA H 1 4.141 0.000 . 1 . . . A 549 ASN HA . 25657 1 549 . 1 1 68 68 ASN HB2 H 1 1.873 0.000 . 2 . . . A 549 ASN HB2 . 25657 1 550 . 1 1 68 68 ASN HB3 H 1 3.018 0.000 . 2 . . . A 549 ASN HB3 . 25657 1 551 . 1 1 68 68 ASN CA C 13 57.493 0.000 . 1 . . . A 549 ASN CA . 25657 1 552 . 1 1 68 68 ASN CB C 13 41.139 0.000 . 1 . . . A 549 ASN CB . 25657 1 553 . 1 1 68 68 ASN N N 15 116.905 0.000 . 1 . . . A 549 ASN N . 25657 1 554 . 1 1 69 69 PHE H H 1 7.283 0.000 . 1 . . . A 550 PHE H . 25657 1 555 . 1 1 69 69 PHE HA H 1 4.383 0.000 . 1 . . . A 550 PHE HA . 25657 1 556 . 1 1 69 69 PHE HB2 H 1 2.995 0.000 . 2 . . . A 550 PHE HB2 . 25657 1 557 . 1 1 69 69 PHE HB3 H 1 3.182 0.000 . 2 . . . A 550 PHE HB3 . 25657 1 558 . 1 1 69 69 PHE HD1 H 1 7.199 0.000 . 3 . . . A 550 PHE HD1 . 25657 1 559 . 1 1 69 69 PHE HD2 H 1 7.199 0.000 . 3 . . . A 550 PHE HD2 . 25657 1 560 . 1 1 69 69 PHE HE1 H 1 6.925 0.000 . 3 . . . A 550 PHE HE1 . 25657 1 561 . 1 1 69 69 PHE HE2 H 1 6.925 0.000 . 3 . . . A 550 PHE HE2 . 25657 1 562 . 1 1 69 69 PHE HZ H 1 6.727 0.000 . 1 . . . A 550 PHE HZ . 25657 1 563 . 1 1 69 69 PHE CA C 13 60.815 0.000 . 1 . . . A 550 PHE CA . 25657 1 564 . 1 1 69 69 PHE CB C 13 39.409 0.000 . 1 . . . A 550 PHE CB . 25657 1 565 . 1 1 69 69 PHE N N 15 115.303 0.000 . 1 . . . A 550 PHE N . 25657 1 566 . 1 1 70 70 LEU H H 1 8.274 0.000 . 1 . . . A 551 LEU H . 25657 1 567 . 1 1 70 70 LEU HA H 1 4.313 0.000 . 1 . . . A 551 LEU HA . 25657 1 568 . 1 1 70 70 LEU HB2 H 1 1.584 0.000 . 2 . . . A 551 LEU HB2 . 25657 1 569 . 1 1 70 70 LEU HB3 H 1 1.937 0.000 . 2 . . . A 551 LEU HB3 . 25657 1 570 . 1 1 70 70 LEU HG H 1 1.792 0.000 . 1 . . . A 551 LEU HG . 25657 1 571 . 1 1 70 70 LEU HD11 H 1 0.874 0.000 . 2 . . . A 551 LEU HD11 . 25657 1 572 . 1 1 70 70 LEU HD12 H 1 0.874 0.000 . 2 . . . A 551 LEU HD12 . 25657 1 573 . 1 1 70 70 LEU HD13 H 1 0.874 0.000 . 2 . . . A 551 LEU HD13 . 25657 1 574 . 1 1 70 70 LEU HD21 H 1 0.832 0.000 . 2 . . . A 551 LEU HD21 . 25657 1 575 . 1 1 70 70 LEU HD22 H 1 0.832 0.000 . 2 . . . A 551 LEU HD22 . 25657 1 576 . 1 1 70 70 LEU HD23 H 1 0.832 0.000 . 2 . . . A 551 LEU HD23 . 25657 1 577 . 1 1 70 70 LEU CA C 13 56.471 0.000 . 1 . . . A 551 LEU CA . 25657 1 578 . 1 1 70 70 LEU CB C 13 43.183 0.000 . 1 . . . A 551 LEU CB . 25657 1 579 . 1 1 70 70 LEU CG C 13 27.340 0.000 . 1 . . . A 551 LEU CG . 25657 1 580 . 1 1 70 70 LEU CD1 C 13 24.785 0.000 . 1 . . . A 551 LEU CD1 . 25657 1 581 . 1 1 70 70 LEU CD2 C 13 22.741 0.000 . 1 . . . A 551 LEU CD2 . 25657 1 582 . 1 1 70 70 LEU N N 15 117.577 0.000 . 1 . . . A 551 LEU N . 25657 1 583 . 1 1 71 71 GLU H H 1 8.161 0.000 . 1 . . . A 552 GLU H . 25657 1 584 . 1 1 71 71 GLU HA H 1 3.942 0.000 . 1 . . . A 552 GLU HA . 25657 1 585 . 1 1 71 71 GLU HB2 H 1 2.097 0.000 . 2 . . . A 552 GLU HB2 . 25657 1 586 . 1 1 71 71 GLU HB3 H 1 2.097 0.000 . 2 . . . A 552 GLU HB3 . 25657 1 587 . 1 1 71 71 GLU HG2 H 1 2.197 0.000 . 2 . . . A 552 GLU HG2 . 25657 1 588 . 1 1 71 71 GLU HG3 H 1 2.307 0.000 . 2 . . . A 552 GLU HG3 . 25657 1 589 . 1 1 71 71 GLU CA C 13 59.282 0.000 . 1 . . . A 552 GLU CA . 25657 1 590 . 1 1 71 71 GLU CB C 13 29.103 0.000 . 1 . . . A 552 GLU CB . 25657 1 591 . 1 1 71 71 GLU CG C 13 36.028 0.000 . 1 . . . A 552 GLU CG . 25657 1 592 . 1 1 71 71 GLU N N 15 115.846 0.000 . 1 . . . A 552 GLU N . 25657 1 593 . 1 1 72 72 ARG H H 1 6.884 0.000 . 1 . . . A 553 ARG H . 25657 1 594 . 1 1 72 72 ARG HA H 1 4.574 0.000 . 1 . . . A 553 ARG HA . 25657 1 595 . 1 1 72 72 ARG HB2 H 1 1.767 0.000 . 2 . . . A 553 ARG HB2 . 25657 1 596 . 1 1 72 72 ARG HB3 H 1 1.767 0.000 . 2 . . . A 553 ARG HB3 . 25657 1 597 . 1 1 72 72 ARG HG2 H 1 1.640 0.000 . 2 . . . A 553 ARG HG2 . 25657 1 598 . 1 1 72 72 ARG HG3 H 1 1.640 0.000 . 2 . . . A 553 ARG HG3 . 25657 1 599 . 1 1 72 72 ARG HD2 H 1 2.917 0.000 . 2 . . . A 553 ARG HD2 . 25657 1 600 . 1 1 72 72 ARG HD3 H 1 3.190 0.000 . 2 . . . A 553 ARG HD3 . 25657 1 601 . 1 1 72 72 ARG CA C 13 55.960 0.000 . 1 . . . A 553 ARG CA . 25657 1 602 . 1 1 72 72 ARG CB C 13 30.662 0.000 . 1 . . . A 553 ARG CB . 25657 1 603 . 1 1 72 72 ARG CG C 13 27.851 0.000 . 1 . . . A 553 ARG CG . 25657 1 604 . 1 1 72 72 ARG CD C 13 43.439 0.000 . 1 . . . A 553 ARG CD . 25657 1 605 . 1 1 72 72 ARG N N 15 116.743 0.000 . 1 . . . A 553 ARG N . 25657 1 606 . 1 1 73 73 THR H H 1 8.620 0.000 . 1 . . . A 554 THR H . 25657 1 607 . 1 1 73 73 THR HA H 1 4.389 0.000 . 1 . . . A 554 THR HA . 25657 1 608 . 1 1 73 73 THR HB H 1 4.639 0.000 . 1 . . . A 554 THR HB . 25657 1 609 . 1 1 73 73 THR HG21 H 1 1.407 0.000 . 1 . . . A 554 THR HG21 . 25657 1 610 . 1 1 73 73 THR HG22 H 1 1.407 0.000 . 1 . . . A 554 THR HG22 . 25657 1 611 . 1 1 73 73 THR HG23 H 1 1.407 0.000 . 1 . . . A 554 THR HG23 . 25657 1 612 . 1 1 73 73 THR CA C 13 61.070 0.000 . 1 . . . A 554 THR CA . 25657 1 613 . 1 1 73 73 THR CB C 13 71.292 0.000 . 1 . . . A 554 THR CB . 25657 1 614 . 1 1 73 73 THR CG2 C 13 21.719 0.000 . 1 . . . A 554 THR CG2 . 25657 1 615 . 1 1 73 73 THR N N 15 110.707 0.000 . 1 . . . A 554 THR N . 25657 1 616 . 1 1 74 74 ALA H H 1 8.682 0.000 . 1 . . . A 555 ALA H . 25657 1 617 . 1 1 74 74 ALA HA H 1 4.096 0.000 . 1 . . . A 555 ALA HA . 25657 1 618 . 1 1 74 74 ALA HB1 H 1 1.509 0.000 . 1 . . . A 555 ALA HB1 . 25657 1 619 . 1 1 74 74 ALA HB2 H 1 1.509 0.000 . 1 . . . A 555 ALA HB2 . 25657 1 620 . 1 1 74 74 ALA HB3 H 1 1.509 0.000 . 1 . . . A 555 ALA HB3 . 25657 1 621 . 1 1 74 74 ALA CA C 13 55.354 0.000 . 1 . . . A 555 ALA CA . 25657 1 622 . 1 1 74 74 ALA CB C 13 18.127 0.000 . 1 . . . A 555 ALA CB . 25657 1 623 . 1 1 74 74 ALA N N 15 122.620 0.000 . 1 . . . A 555 ALA N . 25657 1 624 . 1 1 75 75 ILE H H 1 7.702 0.000 . 1 . . . A 556 ILE H . 25657 1 625 . 1 1 75 75 ILE HA H 1 3.889 0.000 . 1 . . . A 556 ILE HA . 25657 1 626 . 1 1 75 75 ILE HB H 1 1.837 0.000 . 1 . . . A 556 ILE HB . 25657 1 627 . 1 1 75 75 ILE HG12 H 1 1.299 0.000 . 2 . . . A 556 ILE HG12 . 25657 1 628 . 1 1 75 75 ILE HG13 H 1 1.580 0.000 . 2 . . . A 556 ILE HG13 . 25657 1 629 . 1 1 75 75 ILE HG21 H 1 0.951 0.000 . 1 . . . A 556 ILE HG21 . 25657 1 630 . 1 1 75 75 ILE HG22 H 1 0.951 0.000 . 1 . . . A 556 ILE HG22 . 25657 1 631 . 1 1 75 75 ILE HG23 H 1 0.951 0.000 . 1 . . . A 556 ILE HG23 . 25657 1 632 . 1 1 75 75 ILE HD11 H 1 0.914 0.000 . 1 . . . A 556 ILE HD11 . 25657 1 633 . 1 1 75 75 ILE HD12 H 1 0.914 0.000 . 1 . . . A 556 ILE HD12 . 25657 1 634 . 1 1 75 75 ILE HD13 H 1 0.914 0.000 . 1 . . . A 556 ILE HD13 . 25657 1 635 . 1 1 75 75 ILE CA C 13 63.370 0.000 . 1 . . . A 556 ILE CA . 25657 1 636 . 1 1 75 75 ILE CB C 13 38.073 0.000 . 1 . . . A 556 ILE CB . 25657 1 637 . 1 1 75 75 ILE CG1 C 13 28.874 0.000 . 1 . . . A 556 ILE CG1 . 25657 1 638 . 1 1 75 75 ILE CG2 C 13 17.472 0.000 . 1 . . . A 556 ILE CG2 . 25657 1 639 . 1 1 75 75 ILE CD1 C 13 13.031 0.000 . 1 . . . A 556 ILE CD1 . 25657 1 640 . 1 1 75 75 ILE N N 15 114.464 0.000 . 1 . . . A 556 ILE N . 25657 1 641 . 1 1 76 76 GLU H H 1 7.545 0.000 . 1 . . . A 557 GLU H . 25657 1 642 . 1 1 76 76 GLU HA H 1 4.256 0.000 . 1 . . . A 557 GLU HA . 25657 1 643 . 1 1 76 76 GLU HB2 H 1 2.050 0.000 . 2 . . . A 557 GLU HB2 . 25657 1 644 . 1 1 76 76 GLU HB3 H 1 2.324 0.000 . 2 . . . A 557 GLU HB3 . 25657 1 645 . 1 1 76 76 GLU HG2 H 1 2.324 0.000 . 2 . . . A 557 GLU HG2 . 25657 1 646 . 1 1 76 76 GLU HG3 H 1 2.443 0.001 . 2 . . . A 557 GLU HG3 . 25657 1 647 . 1 1 76 76 GLU CA C 13 58.771 0.000 . 1 . . . A 557 GLU CA . 25657 1 648 . 1 1 76 76 GLU CB C 13 31.316 0.000 . 1 . . . A 557 GLU CB . 25657 1 649 . 1 1 76 76 GLU CG C 13 38.343 0.000 . 1 . . . A 557 GLU CG . 25657 1 650 . 1 1 76 76 GLU N N 15 121.301 0.000 . 1 . . . A 557 GLU N . 25657 1 651 . 1 1 77 77 LEU H H 1 7.829 0.000 . 1 . . . A 558 LEU H . 25657 1 652 . 1 1 77 77 LEU HA H 1 4.062 0.000 . 1 . . . A 558 LEU HA . 25657 1 653 . 1 1 77 77 LEU HB2 H 1 1.610 0.000 . 2 . . . A 558 LEU HB2 . 25657 1 654 . 1 1 77 77 LEU HB3 H 1 1.851 0.000 . 2 . . . A 558 LEU HB3 . 25657 1 655 . 1 1 77 77 LEU HG H 1 1.558 0.000 . 1 . . . A 558 LEU HG . 25657 1 656 . 1 1 77 77 LEU HD11 H 1 0.420 0.000 . 2 . . . A 558 LEU HD11 . 25657 1 657 . 1 1 77 77 LEU HD12 H 1 0.420 0.000 . 2 . . . A 558 LEU HD12 . 25657 1 658 . 1 1 77 77 LEU HD13 H 1 0.420 0.000 . 2 . . . A 558 LEU HD13 . 25657 1 659 . 1 1 77 77 LEU HD21 H 1 0.695 0.000 . 2 . . . A 558 LEU HD21 . 25657 1 660 . 1 1 77 77 LEU HD22 H 1 0.695 0.000 . 2 . . . A 558 LEU HD22 . 25657 1 661 . 1 1 77 77 LEU HD23 H 1 0.695 0.000 . 2 . . . A 558 LEU HD23 . 25657 1 662 . 1 1 77 77 LEU CA C 13 58.004 0.000 . 1 . . . A 558 LEU CA . 25657 1 663 . 1 1 77 77 LEU CB C 13 42.417 0.000 . 1 . . . A 558 LEU CB . 25657 1 664 . 1 1 77 77 LEU CG C 13 27.085 0.000 . 1 . . . A 558 LEU CG . 25657 1 665 . 1 1 77 77 LEU CD1 C 13 25.041 0.000 . 1 . . . A 558 LEU CD1 . 25657 1 666 . 1 1 77 77 LEU CD2 C 13 23.507 0.000 . 1 . . . A 558 LEU CD2 . 25657 1 667 . 1 1 77 77 LEU N N 15 118.899 0.000 . 1 . . . A 558 LEU N . 25657 1 668 . 1 1 81 81 TRP HA H 1 4.366 0.000 . 1 . . . A 562 TRP HA . 25657 1 669 . 1 1 81 81 TRP HB2 H 1 2.948 0.000 . 2 . . . A 562 TRP HB2 . 25657 1 670 . 1 1 81 81 TRP HB3 H 1 2.948 0.000 . 2 . . . A 562 TRP HB3 . 25657 1 671 . 1 1 81 81 TRP HZ2 H 1 6.802 0.000 . 4 . . . A 562 TRP HZ2 . 25657 1 672 . 1 1 81 81 TRP HZ3 H 1 6.933 0.000 . 4 . . . A 562 TRP HZ3 . 25657 1 673 . 1 1 81 81 TRP CA C 13 59.793 0.000 . 1 . . . A 562 TRP CA . 25657 1 674 . 1 1 81 81 TRP CB C 13 28.874 0.000 . 1 . . . A 562 TRP CB . 25657 1 675 . 1 1 82 82 VAL HA H 1 3.659 0.001 . 1 . . . A 563 VAL HA . 25657 1 676 . 1 1 82 82 VAL HB H 1 2.168 0.000 . 1 . . . A 563 VAL HB . 25657 1 677 . 1 1 82 82 VAL HG11 H 1 0.973 0.000 . 2 . . . A 563 VAL HG11 . 25657 1 678 . 1 1 82 82 VAL HG12 H 1 0.973 0.000 . 2 . . . A 563 VAL HG12 . 25657 1 679 . 1 1 82 82 VAL HG13 H 1 0.973 0.000 . 2 . . . A 563 VAL HG13 . 25657 1 680 . 1 1 82 82 VAL HG21 H 1 1.057 0.000 . 2 . . . A 563 VAL HG21 . 25657 1 681 . 1 1 82 82 VAL HG22 H 1 1.057 0.000 . 2 . . . A 563 VAL HG22 . 25657 1 682 . 1 1 82 82 VAL HG23 H 1 1.057 0.000 . 2 . . . A 563 VAL HG23 . 25657 1 683 . 1 1 82 82 VAL CA C 13 65.926 0.000 . 1 . . . A 563 VAL CA . 25657 1 684 . 1 1 82 82 VAL CB C 13 31.429 0.000 . 1 . . . A 563 VAL CB . 25657 1 685 . 1 1 82 82 VAL CG1 C 13 21.324 0.000 . 1 . . . A 563 VAL CG1 . 25657 1 686 . 1 1 82 82 VAL CG2 C 13 23.507 0.000 . 1 . . . A 563 VAL CG2 . 25657 1 687 . 1 1 83 83 ARG HA H 1 4.273 0.000 . 1 . . . A 564 ARG HA . 25657 1 688 . 1 1 83 83 ARG HB2 H 1 1.850 0.000 . 2 . . . A 564 ARG HB2 . 25657 1 689 . 1 1 83 83 ARG HB3 H 1 1.896 0.000 . 2 . . . A 564 ARG HB3 . 25657 1 690 . 1 1 83 83 ARG HG2 H 1 1.557 0.000 . 2 . . . A 564 ARG HG2 . 25657 1 691 . 1 1 83 83 ARG HG3 H 1 1.619 0.000 . 2 . . . A 564 ARG HG3 . 25657 1 692 . 1 1 83 83 ARG HD2 H 1 3.143 0.000 . 2 . . . A 564 ARG HD2 . 25657 1 693 . 1 1 83 83 ARG HD3 H 1 3.143 0.000 . 2 . . . A 564 ARG HD3 . 25657 1 694 . 1 1 83 83 ARG CA C 13 56.982 0.000 . 1 . . . A 564 ARG CA . 25657 1 695 . 1 1 83 83 ARG CB C 13 30.151 0.000 . 1 . . . A 564 ARG CB . 25657 1 696 . 1 1 83 83 ARG CG C 13 26.829 0.000 . 1 . . . A 564 ARG CG . 25657 1 697 . 1 1 83 83 ARG CD C 13 43.183 0.000 . 1 . . . A 564 ARG CD . 25657 1 698 . 1 1 85 85 LEU HA H 1 4.057 0.000 . 1 . . . A 566 LEU HA . 25657 1 699 . 1 1 85 85 LEU HB2 H 1 1.609 0.000 . 2 . . . A 566 LEU HB2 . 25657 1 700 . 1 1 85 85 LEU HB3 H 1 1.609 0.000 . 2 . . . A 566 LEU HB3 . 25657 1 701 . 1 1 85 85 LEU HD11 H 1 0.932 0.000 . 2 . . . A 566 LEU HD11 . 25657 1 702 . 1 1 85 85 LEU HD12 H 1 0.932 0.000 . 2 . . . A 566 LEU HD12 . 25657 1 703 . 1 1 85 85 LEU HD13 H 1 0.932 0.000 . 2 . . . A 566 LEU HD13 . 25657 1 704 . 1 1 85 85 LEU HD21 H 1 0.725 0.000 . 2 . . . A 566 LEU HD21 . 25657 1 705 . 1 1 85 85 LEU HD22 H 1 0.725 0.000 . 2 . . . A 566 LEU HD22 . 25657 1 706 . 1 1 85 85 LEU HD23 H 1 0.725 0.000 . 2 . . . A 566 LEU HD23 . 25657 1 707 . 1 1 85 85 LEU CA C 13 57.749 0.000 . 1 . . . A 566 LEU CA . 25657 1 708 . 1 1 85 85 LEU CB C 13 41.139 0.000 . 1 . . . A 566 LEU CB . 25657 1 709 . 1 1 85 85 LEU CD1 C 13 25.933 0.000 . 1 . . . A 566 LEU CD1 . 25657 1 710 . 1 1 85 85 LEU CD2 C 13 22.230 0.000 . 1 . . . A 566 LEU CD2 . 25657 1 711 . 1 1 86 86 ALA HA H 1 4.004 0.000 . 1 . . . A 567 ALA HA . 25657 1 712 . 1 1 86 86 ALA HB1 H 1 1.538 0.000 . 1 . . . A 567 ALA HB1 . 25657 1 713 . 1 1 86 86 ALA HB2 H 1 1.538 0.000 . 1 . . . A 567 ALA HB2 . 25657 1 714 . 1 1 86 86 ALA HB3 H 1 1.538 0.000 . 1 . . . A 567 ALA HB3 . 25657 1 715 . 1 1 86 86 ALA CA C 13 54.427 0.000 . 1 . . . A 567 ALA CA . 25657 1 716 . 1 1 86 86 ALA CB C 13 19.419 0.000 . 1 . . . A 567 ALA CB . 25657 1 717 . 1 1 88 88 ALA H H 1 7.637 0.000 . 1 . . . A 569 ALA H . 25657 1 718 . 1 1 88 88 ALA HA H 1 3.741 0.000 . 1 . . . A 569 ALA HA . 25657 1 719 . 1 1 88 88 ALA HB1 H 1 1.427 0.000 . 1 . . . A 569 ALA HB1 . 25657 1 720 . 1 1 88 88 ALA HB2 H 1 1.427 0.000 . 1 . . . A 569 ALA HB2 . 25657 1 721 . 1 1 88 88 ALA HB3 H 1 1.427 0.000 . 1 . . . A 569 ALA HB3 . 25657 1 722 . 1 1 88 88 ALA CA C 13 55.248 0.000 . 1 . . . A 569 ALA CA . 25657 1 723 . 1 1 88 88 ALA CB C 13 17.725 0.000 . 1 . . . A 569 ALA CB . 25657 1 724 . 1 1 88 88 ALA N N 15 123.940 0.000 . 1 . . . A 569 ALA N . 25657 1 725 . 1 1 89 89 LEU H H 1 7.636 0.000 . 1 . . . A 570 LEU H . 25657 1 726 . 1 1 89 89 LEU HA H 1 4.039 0.000 . 1 . . . A 570 LEU HA . 25657 1 727 . 1 1 89 89 LEU HB2 H 1 1.630 0.000 . 2 . . . A 570 LEU HB2 . 25657 1 728 . 1 1 89 89 LEU HB3 H 1 1.741 0.000 . 2 . . . A 570 LEU HB3 . 25657 1 729 . 1 1 89 89 LEU HG H 1 1.373 0.000 . 1 . . . A 570 LEU HG . 25657 1 730 . 1 1 89 89 LEU HD11 H 1 0.958 0.000 . 2 . . . A 570 LEU HD11 . 25657 1 731 . 1 1 89 89 LEU HD12 H 1 0.958 0.000 . 2 . . . A 570 LEU HD12 . 25657 1 732 . 1 1 89 89 LEU HD13 H 1 0.958 0.000 . 2 . . . A 570 LEU HD13 . 25657 1 733 . 1 1 89 89 LEU HD21 H 1 0.884 0.000 . 2 . . . A 570 LEU HD21 . 25657 1 734 . 1 1 89 89 LEU HD22 H 1 0.884 0.000 . 2 . . . A 570 LEU HD22 . 25657 1 735 . 1 1 89 89 LEU HD23 H 1 0.884 0.000 . 2 . . . A 570 LEU HD23 . 25657 1 736 . 1 1 89 89 LEU CA C 13 57.749 0.000 . 1 . . . A 570 LEU CA . 25657 1 737 . 1 1 89 89 LEU CB C 13 41.906 0.000 . 1 . . . A 570 LEU CB . 25657 1 738 . 1 1 89 89 LEU CG C 13 26.063 0.000 . 1 . . . A 570 LEU CG . 25657 1 739 . 1 1 89 89 LEU CD1 C 13 24.785 0.000 . 1 . . . A 570 LEU CD1 . 25657 1 740 . 1 1 89 89 LEU CD2 C 13 25.041 0.000 . 1 . . . A 570 LEU CD2 . 25657 1 741 . 1 1 89 89 LEU N N 15 117.193 0.000 . 1 . . . A 570 LEU N . 25657 1 742 . 1 1 92 92 LEU H H 1 8.510 0.000 . 1 . . . A 573 LEU H . 25657 1 743 . 1 1 92 92 LEU HA H 1 4.150 0.000 . 1 . . . A 573 LEU HA . 25657 1 744 . 1 1 92 92 LEU HB2 H 1 1.658 0.000 . 2 . . . A 573 LEU HB2 . 25657 1 745 . 1 1 92 92 LEU HB3 H 1 1.658 0.000 . 2 . . . A 573 LEU HB3 . 25657 1 746 . 1 1 92 92 LEU HD11 H 1 0.960 0.000 . 2 . . . A 573 LEU HD11 . 25657 1 747 . 1 1 92 92 LEU HD12 H 1 0.960 0.000 . 2 . . . A 573 LEU HD12 . 25657 1 748 . 1 1 92 92 LEU HD13 H 1 0.960 0.000 . 2 . . . A 573 LEU HD13 . 25657 1 749 . 1 1 92 92 LEU HD21 H 1 0.971 0.000 . 2 . . . A 573 LEU HD21 . 25657 1 750 . 1 1 92 92 LEU HD22 H 1 0.971 0.000 . 2 . . . A 573 LEU HD22 . 25657 1 751 . 1 1 92 92 LEU HD23 H 1 0.971 0.000 . 2 . . . A 573 LEU HD23 . 25657 1 752 . 1 1 92 92 LEU CA C 13 57.757 0.000 . 1 . . . A 573 LEU CA . 25657 1 753 . 1 1 92 92 LEU CB C 13 42.417 0.000 . 1 . . . A 573 LEU CB . 25657 1 754 . 1 1 92 92 LEU CD1 C 13 25.296 0.000 . 1 . . . A 573 LEU CD1 . 25657 1 755 . 1 1 92 92 LEU CD2 C 13 26.200 0.000 . 1 . . . A 573 LEU CD2 . 25657 1 756 . 1 1 92 92 LEU N N 15 123.340 0.000 . 1 . . . A 573 LEU N . 25657 1 757 . 1 1 93 93 TYR H H 1 7.510 0.000 . 1 . . . A 574 TYR H . 25657 1 758 . 1 1 93 93 TYR HD1 H 1 7.266 0.000 . 3 . . . A 574 TYR HD1 . 25657 1 759 . 1 1 93 93 TYR HD2 H 1 7.266 0.000 . 3 . . . A 574 TYR HD2 . 25657 1 760 . 1 1 93 93 TYR HE1 H 1 6.704 0.000 . 3 . . . A 574 TYR HE1 . 25657 1 761 . 1 1 93 93 TYR HE2 H 1 6.704 0.000 . 3 . . . A 574 TYR HE2 . 25657 1 762 . 1 1 93 93 TYR N N 15 114.647 0.000 . 1 . . . A 574 TYR N . 25657 1 763 . 1 1 94 94 MET H H 1 7.209 0.000 . 1 . . . A 575 MET H . 25657 1 764 . 1 1 94 94 MET HA H 1 4.363 0.000 . 1 . . . A 575 MET HA . 25657 1 765 . 1 1 94 94 MET HB2 H 1 1.950 0.000 . 2 . . . A 575 MET HB2 . 25657 1 766 . 1 1 94 94 MET HB3 H 1 2.070 0.000 . 2 . . . A 575 MET HB3 . 25657 1 767 . 1 1 94 94 MET HG2 H 1 2.301 0.000 . 2 . . . A 575 MET HG2 . 25657 1 768 . 1 1 94 94 MET HG3 H 1 2.301 0.000 . 2 . . . A 575 MET HG3 . 25657 1 769 . 1 1 94 94 MET HE1 H 1 1.986 0.000 . 1 . . . A 575 MET HE1 . 25657 1 770 . 1 1 94 94 MET HE2 H 1 1.986 0.000 . 1 . . . A 575 MET HE2 . 25657 1 771 . 1 1 94 94 MET HE3 H 1 1.986 0.000 . 1 . . . A 575 MET HE3 . 25657 1 772 . 1 1 94 94 MET CA C 13 55.449 0.000 . 1 . . . A 575 MET CA . 25657 1 773 . 1 1 94 94 MET CB C 13 29.385 0.000 . 1 . . . A 575 MET CB . 25657 1 774 . 1 1 94 94 MET CG C 13 33.473 0.000 . 1 . . . A 575 MET CG . 25657 1 775 . 1 1 94 94 MET CE C 13 17.361 0.000 . 1 . . . A 575 MET CE . 25657 1 776 . 1 1 94 94 MET N N 15 123.163 0.000 . 1 . . . A 575 MET N . 25657 1 777 . 1 1 98 98 GLU H H 1 8.893 0.000 . 1 . . . A 579 GLU H . 25657 1 778 . 1 1 98 98 GLU HA H 1 4.402 0.000 . 1 . . . A 579 GLU HA . 25657 1 779 . 1 1 98 98 GLU HB2 H 1 2.162 0.000 . 2 . . . A 579 GLU HB2 . 25657 1 780 . 1 1 98 98 GLU HB3 H 1 2.162 0.000 . 2 . . . A 579 GLU HB3 . 25657 1 781 . 1 1 98 98 GLU HG2 H 1 2.438 0.000 . 2 . . . A 579 GLU HG2 . 25657 1 782 . 1 1 98 98 GLU HG3 H 1 2.438 0.000 . 2 . . . A 579 GLU HG3 . 25657 1 783 . 1 1 98 98 GLU CA C 13 57.749 0.000 . 1 . . . A 579 GLU CA . 25657 1 784 . 1 1 98 98 GLU CB C 13 29.193 0.000 . 1 . . . A 579 GLU CB . 25657 1 785 . 1 1 98 98 GLU CG C 13 35.801 0.000 . 1 . . . A 579 GLU CG . 25657 1 786 . 1 1 98 98 GLU N N 15 123.708 0.000 . 1 . . . A 579 GLU N . 25657 1 787 . 1 1 99 99 GLN H H 1 7.768 0.000 . 1 . . . A 580 GLN H . 25657 1 788 . 1 1 99 99 GLN HA H 1 4.231 0.000 . 1 . . . A 580 GLN HA . 25657 1 789 . 1 1 99 99 GLN HB2 H 1 1.961 0.000 . 2 . . . A 580 GLN HB2 . 25657 1 790 . 1 1 99 99 GLN HB3 H 1 2.477 0.000 . 2 . . . A 580 GLN HB3 . 25657 1 791 . 1 1 99 99 GLN HG2 H 1 2.542 0.000 . 2 . . . A 580 GLN HG2 . 25657 1 792 . 1 1 99 99 GLN HG3 H 1 2.692 0.000 . 2 . . . A 580 GLN HG3 . 25657 1 793 . 1 1 99 99 GLN CA C 13 58.200 0.000 . 1 . . . A 580 GLN CA . 25657 1 794 . 1 1 99 99 GLN CB C 13 29.385 0.000 . 1 . . . A 580 GLN CB . 25657 1 795 . 1 1 99 99 GLN CG C 13 34.495 0.000 . 1 . . . A 580 GLN CG . 25657 1 796 . 1 1 99 99 GLN N N 15 119.901 0.000 . 1 . . . A 580 GLN N . 25657 1 797 . 1 1 100 100 VAL H H 1 8.874 0.000 . 1 . . . A 581 VAL H . 25657 1 798 . 1 1 100 100 VAL HA H 1 3.786 0.000 . 1 . . . A 581 VAL HA . 25657 1 799 . 1 1 100 100 VAL HB H 1 1.681 0.000 . 1 . . . A 581 VAL HB . 25657 1 800 . 1 1 100 100 VAL HG11 H 1 0.853 0.000 . 2 . . . A 581 VAL HG11 . 25657 1 801 . 1 1 100 100 VAL HG12 H 1 0.853 0.000 . 2 . . . A 581 VAL HG12 . 25657 1 802 . 1 1 100 100 VAL HG13 H 1 0.853 0.000 . 2 . . . A 581 VAL HG13 . 25657 1 803 . 1 1 100 100 VAL HG21 H 1 0.468 0.000 . 2 . . . A 581 VAL HG21 . 25657 1 804 . 1 1 100 100 VAL HG22 H 1 0.468 0.000 . 2 . . . A 581 VAL HG22 . 25657 1 805 . 1 1 100 100 VAL HG23 H 1 0.468 0.000 . 2 . . . A 581 VAL HG23 . 25657 1 806 . 1 1 100 100 VAL CA C 13 61.326 0.000 . 1 . . . A 581 VAL CA . 25657 1 807 . 1 1 100 100 VAL CB C 13 34.495 0.000 . 1 . . . A 581 VAL CB . 25657 1 808 . 1 1 100 100 VAL CG1 C 13 19.930 0.000 . 1 . . . A 581 VAL CG1 . 25657 1 809 . 1 1 100 100 VAL CG2 C 13 23.580 0.000 . 1 . . . A 581 VAL CG2 . 25657 1 810 . 1 1 100 100 VAL N N 15 118.005 0.000 . 1 . . . A 581 VAL N . 25657 1 811 . 1 1 101 101 ASP H H 1 7.604 0.000 . 1 . . . A 582 ASP H . 25657 1 812 . 1 1 101 101 ASP HA H 1 4.158 0.000 . 1 . . . A 582 ASP HA . 25657 1 813 . 1 1 101 101 ASP HB2 H 1 2.636 0.000 . 2 . . . A 582 ASP HB2 . 25657 1 814 . 1 1 101 101 ASP HB3 H 1 2.732 0.000 . 2 . . . A 582 ASP HB3 . 25657 1 815 . 1 1 101 101 ASP CA C 13 58.260 0.000 . 1 . . . A 582 ASP CA . 25657 1 816 . 1 1 101 101 ASP CB C 13 39.355 0.000 . 1 . . . A 582 ASP CB . 25657 1 817 . 1 1 101 101 ASP N N 15 123.700 0.000 . 1 . . . A 582 ASP N . 25657 1 818 . 1 1 102 102 ASP H H 1 8.376 0.000 . 1 . . . A 583 ASP H . 25657 1 819 . 1 1 102 102 ASP HA H 1 4.546 0.000 . 1 . . . A 583 ASP HA . 25657 1 820 . 1 1 102 102 ASP HB2 H 1 2.650 0.000 . 2 . . . A 583 ASP HB2 . 25657 1 821 . 1 1 102 102 ASP HB3 H 1 2.650 0.000 . 2 . . . A 583 ASP HB3 . 25657 1 822 . 1 1 102 102 ASP CA C 13 54.938 0.000 . 1 . . . A 583 ASP CA . 25657 1 823 . 1 1 102 102 ASP CB C 13 40.628 0.000 . 1 . . . A 583 ASP CB . 25657 1 824 . 1 1 102 102 ASP N N 15 119.292 0.000 . 1 . . . A 583 ASP N . 25657 1 825 . 1 1 103 103 VAL H H 1 7.732 0.000 . 1 . . . A 584 VAL H . 25657 1 826 . 1 1 103 103 VAL HA H 1 3.727 0.000 . 1 . . . A 584 VAL HA . 25657 1 827 . 1 1 103 103 VAL HB H 1 1.977 0.000 . 1 . . . A 584 VAL HB . 25657 1 828 . 1 1 103 103 VAL HG11 H 1 0.650 0.000 . 2 . . . A 584 VAL HG11 . 25657 1 829 . 1 1 103 103 VAL HG12 H 1 0.650 0.000 . 2 . . . A 584 VAL HG12 . 25657 1 830 . 1 1 103 103 VAL HG13 H 1 0.650 0.000 . 2 . . . A 584 VAL HG13 . 25657 1 831 . 1 1 103 103 VAL HG21 H 1 0.755 0.000 . 2 . . . A 584 VAL HG21 . 25657 1 832 . 1 1 103 103 VAL HG22 H 1 0.755 0.000 . 2 . . . A 584 VAL HG22 . 25657 1 833 . 1 1 103 103 VAL HG23 H 1 0.755 0.000 . 2 . . . A 584 VAL HG23 . 25657 1 834 . 1 1 103 103 VAL CA C 13 65.159 0.000 . 1 . . . A 584 VAL CA . 25657 1 835 . 1 1 103 103 VAL CB C 13 31.429 0.000 . 1 . . . A 584 VAL CB . 25657 1 836 . 1 1 103 103 VAL CG1 C 13 21.463 0.000 . 1 . . . A 584 VAL CG1 . 25657 1 837 . 1 1 103 103 VAL CG2 C 13 22.485 0.000 . 1 . . . A 584 VAL CG2 . 25657 1 838 . 1 1 103 103 VAL N N 15 121.900 0.000 . 1 . . . A 584 VAL N . 25657 1 839 . 1 1 104 104 LEU H H 1 8.018 0.000 . 1 . . . A 585 LEU H . 25657 1 840 . 1 1 104 104 LEU HA H 1 3.879 0.000 . 1 . . . A 585 LEU HA . 25657 1 841 . 1 1 104 104 LEU HB2 H 1 1.567 0.000 . 2 . . . A 585 LEU HB2 . 25657 1 842 . 1 1 104 104 LEU HB3 H 1 1.826 0.000 . 2 . . . A 585 LEU HB3 . 25657 1 843 . 1 1 104 104 LEU HG H 1 1.698 0.000 . 1 . . . A 585 LEU HG . 25657 1 844 . 1 1 104 104 LEU HD11 H 1 0.910 0.000 . 2 . . . A 585 LEU HD11 . 25657 1 845 . 1 1 104 104 LEU HD12 H 1 0.910 0.000 . 2 . . . A 585 LEU HD12 . 25657 1 846 . 1 1 104 104 LEU HD13 H 1 0.910 0.000 . 2 . . . A 585 LEU HD13 . 25657 1 847 . 1 1 104 104 LEU HD21 H 1 0.748 0.000 . 2 . . . A 585 LEU HD21 . 25657 1 848 . 1 1 104 104 LEU HD22 H 1 0.748 0.000 . 2 . . . A 585 LEU HD22 . 25657 1 849 . 1 1 104 104 LEU HD23 H 1 0.748 0.000 . 2 . . . A 585 LEU HD23 . 25657 1 850 . 1 1 104 104 LEU CA C 13 57.493 0.000 . 1 . . . A 585 LEU CA . 25657 1 851 . 1 1 104 104 LEU CB C 13 40.628 0.000 . 1 . . . A 585 LEU CB . 25657 1 852 . 1 1 104 104 LEU CG C 13 26.318 0.000 . 1 . . . A 585 LEU CG . 25657 1 853 . 1 1 104 104 LEU CD1 C 13 25.469 0.000 . 1 . . . A 585 LEU CD1 . 25657 1 854 . 1 1 104 104 LEU CD2 C 13 23.050 0.009 . 1 . . . A 585 LEU CD2 . 25657 1 855 . 1 1 104 104 LEU N N 15 119.481 0.000 . 1 . . . A 585 LEU N . 25657 1 856 . 1 1 105 105 GLU H H 1 7.729 0.000 . 1 . . . A 586 GLU H . 25657 1 857 . 1 1 105 105 GLU HA H 1 4.283 0.000 . 1 . . . A 586 GLU HA . 25657 1 858 . 1 1 105 105 GLU HB2 H 1 1.990 0.000 . 2 . . . A 586 GLU HB2 . 25657 1 859 . 1 1 105 105 GLU HB3 H 1 1.990 0.000 . 2 . . . A 586 GLU HB3 . 25657 1 860 . 1 1 105 105 GLU HG2 H 1 2.127 0.000 . 2 . . . A 586 GLU HG2 . 25657 1 861 . 1 1 105 105 GLU HG3 H 1 2.217 0.000 . 2 . . . A 586 GLU HG3 . 25657 1 862 . 1 1 105 105 GLU CA C 13 55.704 0.000 . 1 . . . A 586 GLU CA . 25657 1 863 . 1 1 105 105 GLU CB C 13 29.129 0.000 . 1 . . . A 586 GLU CB . 25657 1 864 . 1 1 105 105 GLU CG C 13 36.284 0.000 . 1 . . . A 586 GLU CG . 25657 1 865 . 1 1 105 105 GLU N N 15 118.081 0.000 . 1 . . . A 586 GLU N . 25657 1 866 . 1 1 106 106 THR HA H 1 3.882 0.000 . 1 . . . A 587 THR HA . 25657 1 867 . 1 1 106 106 THR HB H 1 4.258 0.000 . 1 . . . A 587 THR HB . 25657 1 868 . 1 1 106 106 THR HG21 H 1 1.191 0.000 . 1 . . . A 587 THR HG21 . 25657 1 869 . 1 1 106 106 THR HG22 H 1 1.191 0.000 . 1 . . . A 587 THR HG22 . 25657 1 870 . 1 1 106 106 THR HG23 H 1 1.191 0.000 . 1 . . . A 587 THR HG23 . 25657 1 871 . 1 1 106 106 THR CA C 13 66.400 0.000 . 1 . . . A 587 THR CA . 25657 1 872 . 1 1 106 106 THR CB C 13 68.288 0.000 . 1 . . . A 587 THR CB . 25657 1 873 . 1 1 106 106 THR CG2 C 13 22.230 0.000 . 1 . . . A 587 THR CG2 . 25657 1 874 . 1 1 107 107 ILE HA H 1 3.484 0.000 . 1 . . . A 588 ILE HA . 25657 1 875 . 1 1 107 107 ILE HB H 1 1.786 0.000 . 1 . . . A 588 ILE HB . 25657 1 876 . 1 1 107 107 ILE HG12 H 1 0.723 0.000 . 2 . . . A 588 ILE HG12 . 25657 1 877 . 1 1 107 107 ILE HG13 H 1 1.468 0.000 . 2 . . . A 588 ILE HG13 . 25657 1 878 . 1 1 107 107 ILE HG21 H 1 0.571 0.000 . 1 . . . A 588 ILE HG21 . 25657 1 879 . 1 1 107 107 ILE HG22 H 1 0.571 0.000 . 1 . . . A 588 ILE HG22 . 25657 1 880 . 1 1 107 107 ILE HG23 H 1 0.571 0.000 . 1 . . . A 588 ILE HG23 . 25657 1 881 . 1 1 107 107 ILE HD11 H 1 0.406 0.000 . 1 . . . A 588 ILE HD11 . 25657 1 882 . 1 1 107 107 ILE HD12 H 1 0.406 0.000 . 1 . . . A 588 ILE HD12 . 25657 1 883 . 1 1 107 107 ILE HD13 H 1 0.406 0.000 . 1 . . . A 588 ILE HD13 . 25657 1 884 . 1 1 107 107 ILE CA C 13 64.025 0.000 . 1 . . . A 588 ILE CA . 25657 1 885 . 1 1 107 107 ILE CB C 13 37.562 0.000 . 1 . . . A 588 ILE CB . 25657 1 886 . 1 1 107 107 ILE CG1 C 13 28.874 0.000 . 1 . . . A 588 ILE CG1 . 25657 1 887 . 1 1 107 107 ILE CG2 C 13 17.540 0.000 . 1 . . . A 588 ILE CG2 . 25657 1 888 . 1 1 107 107 ILE CD1 C 13 13.286 0.000 . 1 . . . A 588 ILE CD1 . 25657 1 889 . 1 1 108 108 SER HA H 1 4.403 0.000 . 1 . . . A 589 SER HA . 25657 1 890 . 1 1 108 108 SER HB2 H 1 3.985 0.000 . 2 . . . A 589 SER HB2 . 25657 1 891 . 1 1 108 108 SER HB3 H 1 3.985 0.000 . 2 . . . A 589 SER HB3 . 25657 1 892 . 1 1 108 108 SER CA C 13 58.477 0.000 . 1 . . . A 589 SER CA . 25657 1 893 . 1 1 108 108 SER CB C 13 63.314 0.000 . 1 . . . A 589 SER CB . 25657 1 894 . 1 1 109 109 ALA H H 1 7.097 0.000 . 1 . . . A 590 ALA H . 25657 1 895 . 1 1 109 109 ALA HA H 1 4.329 0.000 . 1 . . . A 590 ALA HA . 25657 1 896 . 1 1 109 109 ALA HB1 H 1 1.460 0.000 . 1 . . . A 590 ALA HB1 . 25657 1 897 . 1 1 109 109 ALA HB2 H 1 1.460 0.000 . 1 . . . A 590 ALA HB2 . 25657 1 898 . 1 1 109 109 ALA HB3 H 1 1.460 0.000 . 1 . . . A 590 ALA HB3 . 25657 1 899 . 1 1 109 109 ALA CA C 13 51.871 0.000 . 1 . . . A 590 ALA CA . 25657 1 900 . 1 1 109 109 ALA CB C 13 19.324 0.000 . 1 . . . A 590 ALA CB . 25657 1 901 . 1 1 109 109 ALA N N 15 121.963 0.000 . 1 . . . A 590 ALA N . 25657 1 902 . 1 1 110 110 ILE H H 1 7.990 0.000 . 1 . . . A 591 ILE H . 25657 1 903 . 1 1 110 110 ILE HA H 1 4.175 0.000 . 1 . . . A 591 ILE HA . 25657 1 904 . 1 1 110 110 ILE HB H 1 1.825 0.000 . 1 . . . A 591 ILE HB . 25657 1 905 . 1 1 110 110 ILE HG12 H 1 1.113 0.000 . 2 . . . A 591 ILE HG12 . 25657 1 906 . 1 1 110 110 ILE HG13 H 1 1.399 0.000 . 2 . . . A 591 ILE HG13 . 25657 1 907 . 1 1 110 110 ILE HG21 H 1 0.866 0.000 . 1 . . . A 591 ILE HG21 . 25657 1 908 . 1 1 110 110 ILE HG22 H 1 0.866 0.000 . 1 . . . A 591 ILE HG22 . 25657 1 909 . 1 1 110 110 ILE HG23 H 1 0.866 0.000 . 1 . . . A 591 ILE HG23 . 25657 1 910 . 1 1 110 110 ILE HD11 H 1 0.802 0.000 . 1 . . . A 591 ILE HD11 . 25657 1 911 . 1 1 110 110 ILE HD12 H 1 0.802 0.000 . 1 . . . A 591 ILE HD12 . 25657 1 912 . 1 1 110 110 ILE HD13 H 1 0.802 0.000 . 1 . . . A 591 ILE HD13 . 25657 1 913 . 1 1 110 110 ILE CA C 13 61.070 0.000 . 1 . . . A 591 ILE CA . 25657 1 914 . 1 1 110 110 ILE CB C 13 38.584 0.000 . 1 . . . A 591 ILE CB . 25657 1 915 . 1 1 110 110 ILE CG1 C 13 27.085 0.000 . 1 . . . A 591 ILE CG1 . 25657 1 916 . 1 1 110 110 ILE CG2 C 13 17.375 0.000 . 1 . . . A 591 ILE CG2 . 25657 1 917 . 1 1 110 110 ILE CD1 C 13 13.060 0.000 . 1 . . . A 591 ILE CD1 . 25657 1 918 . 1 1 110 110 ILE N N 15 119.802 0.000 . 1 . . . A 591 ILE N . 25657 1 919 . 1 1 112 112 HIS HA H 1 4.874 0.000 . 1 . . . A 593 HIS HA . 25657 1 920 . 1 1 112 112 HIS HB2 H 1 2.996 0.000 . 2 . . . A 593 HIS HB2 . 25657 1 921 . 1 1 112 112 HIS HB3 H 1 3.089 0.000 . 2 . . . A 593 HIS HB3 . 25657 1 922 . 1 1 112 112 HIS CA C 13 53.660 0.000 . 1 . . . A 593 HIS CA . 25657 1 923 . 1 1 112 112 HIS CB C 13 30.094 0.000 . 1 . . . A 593 HIS CB . 25657 1 924 . 1 1 113 113 PRO HA H 1 4.325 0.000 . 1 . . . A 594 PRO HA . 25657 1 925 . 1 1 113 113 PRO HB2 H 1 2.255 0.000 . 2 . . . A 594 PRO HB2 . 25657 1 926 . 1 1 113 113 PRO HB3 H 1 1.882 0.000 . 2 . . . A 594 PRO HB3 . 25657 1 927 . 1 1 113 113 PRO HG2 H 1 1.963 0.000 . 2 . . . A 594 PRO HG2 . 25657 1 928 . 1 1 113 113 PRO HG3 H 1 1.963 0.000 . 2 . . . A 594 PRO HG3 . 25657 1 929 . 1 1 113 113 PRO HD2 H 1 3.513 0.000 . 2 . . . A 594 PRO HD2 . 25657 1 930 . 1 1 113 113 PRO HD3 H 1 3.692 0.000 . 2 . . . A 594 PRO HD3 . 25657 1 931 . 1 1 113 113 PRO CA C 13 63.355 0.000 . 1 . . . A 594 PRO CA . 25657 1 932 . 1 1 113 113 PRO CB C 13 31.940 0.000 . 1 . . . A 594 PRO CB . 25657 1 933 . 1 1 113 113 PRO CG C 13 27.085 0.000 . 1 . . . A 594 PRO CG . 25657 1 934 . 1 1 113 113 PRO CD C 13 50.594 0.000 . 1 . . . A 594 PRO CD . 25657 1 935 . 1 1 114 114 MET H H 1 8.232 0.000 . 1 . . . A 595 MET H . 25657 1 936 . 1 1 114 114 MET HE1 H 1 2.029 0.000 . 1 . . . A 595 MET HE1 . 25657 1 937 . 1 1 114 114 MET HE2 H 1 2.029 0.000 . 1 . . . A 595 MET HE2 . 25657 1 938 . 1 1 114 114 MET HE3 H 1 2.029 0.000 . 1 . . . A 595 MET HE3 . 25657 1 939 . 1 1 114 114 MET CE C 13 16.608 0.000 . 1 . . . A 595 MET CE . 25657 1 940 . 1 1 114 114 MET N N 15 120.044 0.000 . 1 . . . A 595 MET N . 25657 1 941 . 1 1 115 115 THR HA H 1 3.558 0.000 . 1 . . . A 596 THR HA . 25657 1 942 . 1 1 115 115 THR HB H 1 4.208 0.000 . 1 . . . A 596 THR HB . 25657 1 943 . 1 1 115 115 THR HG21 H 1 1.289 0.000 . 1 . . . A 596 THR HG21 . 25657 1 944 . 1 1 115 115 THR HG22 H 1 1.289 0.000 . 1 . . . A 596 THR HG22 . 25657 1 945 . 1 1 115 115 THR HG23 H 1 1.289 0.000 . 1 . . . A 596 THR HG23 . 25657 1 946 . 1 1 115 115 THR CA C 13 68.481 0.000 . 1 . . . A 596 THR CA . 25657 1 947 . 1 1 115 115 THR CB C 13 68.225 0.000 . 1 . . . A 596 THR CB . 25657 1 948 . 1 1 115 115 THR CG2 C 13 22.915 0.000 . 1 . . . A 596 THR CG2 . 25657 1 949 . 1 1 116 116 SER HA H 1 3.998 0.000 . 1 . . . A 597 SER HA . 25657 1 950 . 1 1 116 116 SER HB2 H 1 3.874 0.000 . 2 . . . A 597 SER HB2 . 25657 1 951 . 1 1 116 116 SER HB3 H 1 3.874 0.000 . 2 . . . A 597 SER HB3 . 25657 1 952 . 1 1 116 116 SER CA C 13 61.070 0.000 . 1 . . . A 597 SER CA . 25657 1 953 . 1 1 116 116 SER CB C 13 62.859 0.000 . 1 . . . A 597 SER CB . 25657 1 954 . 1 1 117 117 ALA HA H 1 4.136 0.000 . 1 . . . A 598 ALA HA . 25657 1 955 . 1 1 117 117 ALA HB1 H 1 1.430 0.000 . 1 . . . A 598 ALA HB1 . 25657 1 956 . 1 1 117 117 ALA HB2 H 1 1.430 0.000 . 1 . . . A 598 ALA HB2 . 25657 1 957 . 1 1 117 117 ALA HB3 H 1 1.430 0.000 . 1 . . . A 598 ALA HB3 . 25657 1 958 . 1 1 117 117 ALA CA C 13 54.171 0.000 . 1 . . . A 598 ALA CA . 25657 1 959 . 1 1 117 117 ALA CB C 13 18.141 0.000 . 1 . . . A 598 ALA CB . 25657 1 960 . 1 1 118 118 ILE HA H 1 3.456 0.000 . 1 . . . A 599 ILE HA . 25657 1 961 . 1 1 118 118 ILE HB H 1 1.881 0.000 . 1 . . . A 599 ILE HB . 25657 1 962 . 1 1 118 118 ILE HG12 H 1 0.910 0.000 . 2 . . . A 599 ILE HG12 . 25657 1 963 . 1 1 118 118 ILE HG13 H 1 0.910 0.000 . 2 . . . A 599 ILE HG13 . 25657 1 964 . 1 1 118 118 ILE HG21 H 1 0.644 0.000 . 1 . . . A 599 ILE HG21 . 25657 1 965 . 1 1 118 118 ILE HG22 H 1 0.644 0.000 . 1 . . . A 599 ILE HG22 . 25657 1 966 . 1 1 118 118 ILE HG23 H 1 0.644 0.000 . 1 . . . A 599 ILE HG23 . 25657 1 967 . 1 1 118 118 ILE HD11 H 1 0.408 0.000 . 1 . . . A 599 ILE HD11 . 25657 1 968 . 1 1 118 118 ILE HD12 H 1 0.408 0.000 . 1 . . . A 599 ILE HD12 . 25657 1 969 . 1 1 118 118 ILE HD13 H 1 0.408 0.000 . 1 . . . A 599 ILE HD13 . 25657 1 970 . 1 1 118 118 ILE CA C 13 66.181 0.000 . 1 . . . A 599 ILE CA . 25657 1 971 . 1 1 118 118 ILE CB C 13 37.802 0.000 . 1 . . . A 599 ILE CB . 25657 1 972 . 1 1 118 118 ILE CG1 C 13 28.874 0.000 . 1 . . . A 599 ILE CG1 . 25657 1 973 . 1 1 118 118 ILE CG2 C 13 17.345 0.000 . 1 . . . A 599 ILE CG2 . 25657 1 974 . 1 1 118 118 ILE CD1 C 13 13.031 0.000 . 1 . . . A 599 ILE CD1 . 25657 1 975 . 1 1 119 119 GLU HA H 1 3.657 0.000 . 1 . . . A 600 GLU HA . 25657 1 976 . 1 1 119 119 GLU HB2 H 1 2.027 0.000 . 2 . . . A 600 GLU HB2 . 25657 1 977 . 1 1 119 119 GLU HB3 H 1 2.186 0.000 . 2 . . . A 600 GLU HB3 . 25657 1 978 . 1 1 119 119 GLU HG2 H 1 2.035 0.000 . 2 . . . A 600 GLU HG2 . 25657 1 979 . 1 1 119 119 GLU HG3 H 1 2.328 0.000 . 2 . . . A 600 GLU HG3 . 25657 1 980 . 1 1 119 119 GLU CA C 13 60.048 0.000 . 1 . . . A 600 GLU CA . 25657 1 981 . 1 1 119 119 GLU CB C 13 29.385 0.000 . 1 . . . A 600 GLU CB . 25657 1 982 . 1 1 119 119 GLU CG C 13 36.539 0.000 . 1 . . . A 600 GLU CG . 25657 1 983 . 1 1 120 120 VAL HA H 1 3.735 0.000 . 1 . . . A 601 VAL HA . 25657 1 984 . 1 1 120 120 VAL HB H 1 2.040 0.000 . 1 . . . A 601 VAL HB . 25657 1 985 . 1 1 120 120 VAL HG11 H 1 0.919 0.000 . 2 . . . A 601 VAL HG11 . 25657 1 986 . 1 1 120 120 VAL HG12 H 1 0.919 0.000 . 2 . . . A 601 VAL HG12 . 25657 1 987 . 1 1 120 120 VAL HG13 H 1 0.919 0.000 . 2 . . . A 601 VAL HG13 . 25657 1 988 . 1 1 120 120 VAL HG21 H 1 1.051 0.000 . 2 . . . A 601 VAL HG21 . 25657 1 989 . 1 1 120 120 VAL HG22 H 1 1.051 0.000 . 2 . . . A 601 VAL HG22 . 25657 1 990 . 1 1 120 120 VAL HG23 H 1 1.051 0.000 . 2 . . . A 601 VAL HG23 . 25657 1 991 . 1 1 120 120 VAL CA C 13 65.926 0.000 . 1 . . . A 601 VAL CA . 25657 1 992 . 1 1 120 120 VAL CB C 13 31.684 0.000 . 1 . . . A 601 VAL CB . 25657 1 993 . 1 1 120 120 VAL CG1 C 13 21.208 0.000 . 1 . . . A 601 VAL CG1 . 25657 1 994 . 1 1 120 120 VAL CG2 C 13 22.485 0.000 . 1 . . . A 601 VAL CG2 . 25657 1 995 . 1 1 122 122 VAL HA H 1 3.734 0.000 . 1 . . . A 603 VAL HA . 25657 1 996 . 1 1 122 122 VAL HB H 1 1.869 0.000 . 1 . . . A 603 VAL HB . 25657 1 997 . 1 1 122 122 VAL HG11 H 1 0.600 0.000 . 2 . . . A 603 VAL HG11 . 25657 1 998 . 1 1 122 122 VAL HG12 H 1 0.600 0.000 . 2 . . . A 603 VAL HG12 . 25657 1 999 . 1 1 122 122 VAL HG13 H 1 0.600 0.000 . 2 . . . A 603 VAL HG13 . 25657 1 1000 . 1 1 122 122 VAL HG21 H 1 1.042 0.000 . 2 . . . A 603 VAL HG21 . 25657 1 1001 . 1 1 122 122 VAL HG22 H 1 1.042 0.000 . 2 . . . A 603 VAL HG22 . 25657 1 1002 . 1 1 122 122 VAL HG23 H 1 1.042 0.000 . 2 . . . A 603 VAL HG23 . 25657 1 1003 . 1 1 122 122 VAL CA C 13 65.415 0.000 . 1 . . . A 603 VAL CA . 25657 1 1004 . 1 1 122 122 VAL CB C 13 31.684 0.000 . 1 . . . A 603 VAL CB . 25657 1 1005 . 1 1 122 122 VAL CG1 C 13 21.719 0.000 . 1 . . . A 603 VAL CG1 . 25657 1 1006 . 1 1 122 122 VAL CG2 C 13 23.646 0.000 . 1 . . . A 603 VAL CG2 . 25657 1 1007 . 1 1 123 123 GLY HA2 H 1 3.736 0.000 . 2 . . . A 604 GLY HA2 . 25657 1 1008 . 1 1 123 123 GLY HA3 H 1 3.736 0.000 . 2 . . . A 604 GLY HA3 . 25657 1 1009 . 1 1 123 123 GLY CA C 13 47.272 0.000 . 1 . . . A 604 GLY CA . 25657 1 1010 . 1 1 125 125 CYS HA H 1 4.827 0.000 . 1 . . . A 606 CYS HA . 25657 1 1011 . 1 1 125 125 CYS HB2 H 1 2.689 0.000 . 2 . . . A 606 CYS HB2 . 25657 1 1012 . 1 1 125 125 CYS HB3 H 1 2.689 0.000 . 2 . . . A 606 CYS HB3 . 25657 1 1013 . 1 1 125 125 CYS CA C 13 54.938 0.000 . 1 . . . A 606 CYS CA . 25657 1 1014 . 1 1 125 125 CYS CB C 13 33.218 0.000 . 1 . . . A 606 CYS CB . 25657 1 1015 . 1 1 126 126 ALA HA H 1 4.652 0.000 . 1 . . . A 607 ALA HA . 25657 1 1016 . 1 1 126 126 ALA HB1 H 1 1.435 0.000 . 1 . . . A 607 ALA HB1 . 25657 1 1017 . 1 1 126 126 ALA HB2 H 1 1.435 0.000 . 1 . . . A 607 ALA HB2 . 25657 1 1018 . 1 1 126 126 ALA HB3 H 1 1.435 0.000 . 1 . . . A 607 ALA HB3 . 25657 1 1019 . 1 1 126 126 ALA CA C 13 54.682 0.000 . 1 . . . A 607 ALA CA . 25657 1 1020 . 1 1 126 126 ALA CB C 13 19.419 0.000 . 1 . . . A 607 ALA CB . 25657 1 1021 . 1 1 127 127 TYR HD1 H 1 7.284 0.000 . 3 . . . A 608 TYR HD1 . 25657 1 1022 . 1 1 127 127 TYR HD2 H 1 7.284 0.000 . 3 . . . A 608 TYR HD2 . 25657 1 1023 . 1 1 127 127 TYR HE1 H 1 6.627 0.000 . 3 . . . A 608 TYR HE1 . 25657 1 1024 . 1 1 127 127 TYR HE2 H 1 6.627 0.000 . 3 . . . A 608 TYR HE2 . 25657 1 stop_ save_