data_15618 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15618 _Entry.Title ; NMR ASSIGNMENT OF THE DOMAIN 527-651 OF THE SARS-COV NONSTRUCTURAL PROTEIN NSP3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-01-04 _Entry.Accession_date 2008-01-04 _Entry.Last_release_date 2008-01-07 _Entry.Original_release_date 2008-01-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.0.8.112 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Amarnath Chatterjee . . . . 15618 2 Margaret Johnson . A. . . 15618 3 Pedro Serrano . . . . 15618 4 Bill Pedrini . . . . 15618 5 Jeremiah Joseph . . . . 15618 6 Kumar Saikatendu . . . . 15618 7 Benjamin Neuman . . . . 15618 8 Raymond Stevens . C. . . 15618 9 Ian Wilson . A. . . 15618 10 Michael Buchmeier . J. . . 15618 11 Peter Kuhn . . . . 15618 12 Kurt Wuthrich . . . . 15618 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 'PSI, Protein Structure Initiative' 'Joint Center for Structural Genomics' . 15618 2 FSPS 'Functional and Structural Proteomics of SARS-CoV-Related Proteins' . 15618 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID SARS-CoV . 15618 'SARS-unique domain' . 15618 'nonstructural protein' . 15618 nsp3 . 15618 nsp3c . 15618 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15618 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 481 15618 '15N chemical shifts' 130 15618 '1H chemical shifts' 925 15618 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-02-20 2008-01-04 update BMRB 'complete entry citation' 15618 1 . . 2008-01-30 2008-01-04 original author 'original release' 15618 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15469 'NMR assignment of the domain 513-651 from the SARS-CoV nonstructural protein nsp3' 15618 PDB 2JZD 'BMRB Entry Tracking System' 15618 PDB 2JZF 'NMR structure of the domain 513-651 of the SARS-CoV nonstructural protein nsp3, single conformer' 15618 PDB 2RNK 'NMR structure of the domain 513-651 of the SARS-CoV nonstructural protein nsp3, ensemble of twenty energy minimized structures' 15618 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15618 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19052085 _Citation.Full_citation . _Citation.Title ; Nuclear magnetic resonance structure shows that the severe acute respiratory syndrome coronavirus-unique domain contains a macrodomain fold ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Virol.' _Citation.Journal_name_full . _Citation.Journal_volume 83 _Citation.Journal_issue 4 _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 1823 _Citation.Page_last 1836 _Citation.Year 2009 _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 Amarnath Chatterjee . . . . 15618 1 2 Margaret Johnson . A. . . 15618 1 3 Pedro Serrano . . . . 15618 1 4 Bill Pedrini . . . . 15618 1 5 Jeremiah Joseph . S. . . 15618 1 6 Benjamin Neuman . W. . . 15618 1 7 Kumar Saikatendu . . . . 15618 1 8 Michael Buchmeier . J. . . 15618 1 9 Peter Kuhn . . . . 15618 1 10 Kurt Wuthrich . . . . 15618 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID SARS-CoV 15618 1 'SARS-unique domain' 15618 1 'nonstructural protein' 15618 1 nsp3 15618 1 nsp3c 15618 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15618 _Assembly.ID 1 _Assembly.Name nsp3(527-651) _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 14349.6 _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 nsp3(527-651) 1 $nsp3(527-651) A . yes native no no . . . 15618 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_nsp3(527-651) _Entity.Sf_category entity _Entity.Sf_framecode nsp3(527-651) _Entity.Entry_ID 15618 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name nsp3(527-651) _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 ; GSHMGTVSWNLREMLAHAEE TRKLMPICMDVRAIMATIQR KYKGIKIQEGIVDYGVRFFF YTSKEPVASIITKLNSLNEP LVTMPIGYVTHGFNLEEAAR CMRSLKAPAVVSVSSPDAVT TYNGYLTSS ; _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 129 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 -4 GLY . 15618 1 2 -3 SER . 15618 1 3 -2 HIS . 15618 1 4 -1 MET . 15618 1 5 527 GLY . 15618 1 6 528 THR . 15618 1 7 529 VAL . 15618 1 8 530 SER . 15618 1 9 531 TRP . 15618 1 10 532 ASN . 15618 1 11 533 LEU . 15618 1 12 534 ARG . 15618 1 13 535 GLU . 15618 1 14 536 MET . 15618 1 15 537 LEU . 15618 1 16 538 ALA . 15618 1 17 539 HIS . 15618 1 18 540 ALA . 15618 1 19 541 GLU . 15618 1 20 542 GLU . 15618 1 21 543 THR . 15618 1 22 544 ARG . 15618 1 23 545 LYS . 15618 1 24 546 LEU . 15618 1 25 547 MET . 15618 1 26 548 PRO . 15618 1 27 549 ILE . 15618 1 28 550 CYS . 15618 1 29 551 MET . 15618 1 30 552 ASP . 15618 1 31 553 VAL . 15618 1 32 554 ARG . 15618 1 33 555 ALA . 15618 1 34 556 ILE . 15618 1 35 557 MET . 15618 1 36 558 ALA . 15618 1 37 559 THR . 15618 1 38 560 ILE . 15618 1 39 561 GLN . 15618 1 40 562 ARG . 15618 1 41 563 LYS . 15618 1 42 564 TYR . 15618 1 43 565 LYS . 15618 1 44 566 GLY . 15618 1 45 567 ILE . 15618 1 46 568 LYS . 15618 1 47 569 ILE . 15618 1 48 570 GLN . 15618 1 49 571 GLU . 15618 1 50 572 GLY . 15618 1 51 573 ILE . 15618 1 52 574 VAL . 15618 1 53 575 ASP . 15618 1 54 576 TYR . 15618 1 55 577 GLY . 15618 1 56 578 VAL . 15618 1 57 579 ARG . 15618 1 58 580 PHE . 15618 1 59 581 PHE . 15618 1 60 582 PHE . 15618 1 61 583 TYR . 15618 1 62 584 THR . 15618 1 63 585 SER . 15618 1 64 586 LYS . 15618 1 65 587 GLU . 15618 1 66 588 PRO . 15618 1 67 589 VAL . 15618 1 68 590 ALA . 15618 1 69 591 SER . 15618 1 70 592 ILE . 15618 1 71 593 ILE . 15618 1 72 594 THR . 15618 1 73 595 LYS . 15618 1 74 596 LEU . 15618 1 75 597 ASN . 15618 1 76 598 SER . 15618 1 77 599 LEU . 15618 1 78 600 ASN . 15618 1 79 601 GLU . 15618 1 80 602 PRO . 15618 1 81 603 LEU . 15618 1 82 604 VAL . 15618 1 83 605 THR . 15618 1 84 606 MET . 15618 1 85 607 PRO . 15618 1 86 608 ILE . 15618 1 87 609 GLY . 15618 1 88 610 TYR . 15618 1 89 611 VAL . 15618 1 90 612 THR . 15618 1 91 613 HIS . 15618 1 92 614 GLY . 15618 1 93 615 PHE . 15618 1 94 616 ASN . 15618 1 95 617 LEU . 15618 1 96 618 GLU . 15618 1 97 619 GLU . 15618 1 98 620 ALA . 15618 1 99 621 ALA . 15618 1 100 622 ARG . 15618 1 101 623 CYS . 15618 1 102 624 MET . 15618 1 103 625 ARG . 15618 1 104 626 SER . 15618 1 105 627 LEU . 15618 1 106 628 LYS . 15618 1 107 629 ALA . 15618 1 108 630 PRO . 15618 1 109 631 ALA . 15618 1 110 632 VAL . 15618 1 111 633 VAL . 15618 1 112 634 SER . 15618 1 113 635 VAL . 15618 1 114 636 SER . 15618 1 115 637 SER . 15618 1 116 638 PRO . 15618 1 117 639 ASP . 15618 1 118 640 ALA . 15618 1 119 641 VAL . 15618 1 120 642 THR . 15618 1 121 643 THR . 15618 1 122 644 TYR . 15618 1 123 645 ASN . 15618 1 124 646 GLY . 15618 1 125 647 TYR . 15618 1 126 648 LEU . 15618 1 127 649 THR . 15618 1 128 650 SER . 15618 1 129 651 SER . 15618 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 15618 1 . SER 2 2 15618 1 . HIS 3 3 15618 1 . MET 4 4 15618 1 . GLY 5 5 15618 1 . THR 6 6 15618 1 . VAL 7 7 15618 1 . SER 8 8 15618 1 . TRP 9 9 15618 1 . ASN 10 10 15618 1 . LEU 11 11 15618 1 . ARG 12 12 15618 1 . GLU 13 13 15618 1 . MET 14 14 15618 1 . LEU 15 15 15618 1 . ALA 16 16 15618 1 . HIS 17 17 15618 1 . ALA 18 18 15618 1 . GLU 19 19 15618 1 . GLU 20 20 15618 1 . THR 21 21 15618 1 . ARG 22 22 15618 1 . LYS 23 23 15618 1 . LEU 24 24 15618 1 . MET 25 25 15618 1 . PRO 26 26 15618 1 . ILE 27 27 15618 1 . CYS 28 28 15618 1 . MET 29 29 15618 1 . ASP 30 30 15618 1 . VAL 31 31 15618 1 . ARG 32 32 15618 1 . ALA 33 33 15618 1 . ILE 34 34 15618 1 . MET 35 35 15618 1 . ALA 36 36 15618 1 . THR 37 37 15618 1 . ILE 38 38 15618 1 . GLN 39 39 15618 1 . ARG 40 40 15618 1 . LYS 41 41 15618 1 . TYR 42 42 15618 1 . LYS 43 43 15618 1 . GLY 44 44 15618 1 . ILE 45 45 15618 1 . LYS 46 46 15618 1 . ILE 47 47 15618 1 . GLN 48 48 15618 1 . GLU 49 49 15618 1 . GLY 50 50 15618 1 . ILE 51 51 15618 1 . VAL 52 52 15618 1 . ASP 53 53 15618 1 . TYR 54 54 15618 1 . GLY 55 55 15618 1 . VAL 56 56 15618 1 . ARG 57 57 15618 1 . PHE 58 58 15618 1 . PHE 59 59 15618 1 . PHE 60 60 15618 1 . TYR 61 61 15618 1 . THR 62 62 15618 1 . SER 63 63 15618 1 . LYS 64 64 15618 1 . GLU 65 65 15618 1 . PRO 66 66 15618 1 . VAL 67 67 15618 1 . ALA 68 68 15618 1 . SER 69 69 15618 1 . ILE 70 70 15618 1 . ILE 71 71 15618 1 . THR 72 72 15618 1 . LYS 73 73 15618 1 . LEU 74 74 15618 1 . ASN 75 75 15618 1 . SER 76 76 15618 1 . LEU 77 77 15618 1 . ASN 78 78 15618 1 . GLU 79 79 15618 1 . PRO 80 80 15618 1 . LEU 81 81 15618 1 . VAL 82 82 15618 1 . THR 83 83 15618 1 . MET 84 84 15618 1 . PRO 85 85 15618 1 . ILE 86 86 15618 1 . GLY 87 87 15618 1 . TYR 88 88 15618 1 . VAL 89 89 15618 1 . THR 90 90 15618 1 . HIS 91 91 15618 1 . GLY 92 92 15618 1 . PHE 93 93 15618 1 . ASN 94 94 15618 1 . LEU 95 95 15618 1 . GLU 96 96 15618 1 . GLU 97 97 15618 1 . ALA 98 98 15618 1 . ALA 99 99 15618 1 . ARG 100 100 15618 1 . CYS 101 101 15618 1 . MET 102 102 15618 1 . ARG 103 103 15618 1 . SER 104 104 15618 1 . LEU 105 105 15618 1 . LYS 106 106 15618 1 . ALA 107 107 15618 1 . PRO 108 108 15618 1 . ALA 109 109 15618 1 . VAL 110 110 15618 1 . VAL 111 111 15618 1 . SER 112 112 15618 1 . VAL 113 113 15618 1 . SER 114 114 15618 1 . SER 115 115 15618 1 . PRO 116 116 15618 1 . ASP 117 117 15618 1 . ALA 118 118 15618 1 . VAL 119 119 15618 1 . THR 120 120 15618 1 . THR 121 121 15618 1 . TYR 122 122 15618 1 . ASN 123 123 15618 1 . GLY 124 124 15618 1 . TYR 125 125 15618 1 . LEU 126 126 15618 1 . THR 127 127 15618 1 . SER 128 128 15618 1 . SER 129 129 15618 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 15618 _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 $nsp3(527-651) . 227859 virus . SARS-CoV 'SARS coronavirus' . . . Viruses . Coronavirus 'SARS virus' . . . . . . . . . . . . 15618 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 15618 _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 $nsp3(527-651) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21DE3 . . . . . pET28b . . . 15618 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_13C15N _Sample.Sf_category sample _Sample.Sf_framecode sample_13C15N _Sample.Entry_ID 15618 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 nsp3(527-651) '[U-99% 13C; U-98% 15N]' . . 1 $nsp3(527-651) . . 1.4 . . mM . . . . 15618 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 15618 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 15618 1 4 'sodium azide' 'natural abundance' . . . . . . 2 . . mM . . . . 15618 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15618 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15618 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.227 . M 15618 1 pH 6.5 . pH 15618 1 pressure 1 . atm 15618 1 temperature 298 . K 15618 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15618 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 1.3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15618 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 15618 1 . processing 15618 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15618 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version 1.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 15618 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 15618 2 . 'data analysis' 15618 2 . 'peak picking' 15618 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15618 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version 2.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15618 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'Creating Chemical Shift List' 15618 3 . 'structure solution' 15618 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_600 _NMR_spectrometer.Entry_ID 15618 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_800 _NMR_spectrometer.Entry_ID 15618 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_700 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_700 _NMR_spectrometer.Entry_ID 15618 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 15618 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_600 Bruker Avance . 600 . . . 15618 1 2 spectrometer_800 Bruker Avance . 800 . . . 15618 1 3 spectrometer_700 Bruker DRX . 700 . . . 15618 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 15618 _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_13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 15618 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 15618 1 3 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 15618 1 4 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_700 . . . . . . . . . . . . . . . . 15618 1 5 '3D 1H-13C NOESY aliphatic region' no . . . . . . . . . . 1 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_800 . . . . . . . . . . . . . . . . 15618 1 6 '3D 1H-13C NOESY aromatic region' no . . . . . . . . . . 1 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_800 . . . . . . . . . . . . . . . . 15618 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_800 . . . . . . . . . . . . . . . . 15618 1 8 '4D APSY-HNCOCA' no . . . . . . . . . . 1 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 15618 1 9 '4D APSY-HACANH' no . . . . . . . . . . 1 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 15618 1 10 '5D APSY-CBCACONH' no . . . . . . . . . . 1 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 15618 1 11 '5D APSY-HACACONH' no . . . . . . . . . . 1 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 15618 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 15618 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . 15618 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 15618 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . 15618 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 15618 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 5 '3D 1H-13C NOESY aliphatic region' . . . 15618 1 6 '3D 1H-13C NOESY aromatic region' . . . 15618 1 7 '3D 1H-15N NOESY' . . . 15618 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CARA . . 15618 1 3 $CYANA . . 15618 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER HA H 1 4.607 0.02 . 1 . . . . . -3 SER HA . 15618 1 2 . 1 1 2 2 SER HB2 H 1 3.797 0.02 . 2 . . . . . -3 SER HB2 . 15618 1 3 . 1 1 2 2 SER HB3 H 1 2.961 0.02 . 2 . . . . . -3 SER HB3 . 15618 1 4 . 1 1 2 2 SER C C 13 174.489 0.40 . 1 . . . . . -3 SER C . 15618 1 5 . 1 1 2 2 SER CA C 13 56.994 0.40 . 1 . . . . . -3 SER CA . 15618 1 6 . 1 1 2 2 SER CB C 13 64.641 0.40 . 1 . . . . . -3 SER CB . 15618 1 7 . 1 1 2 2 SER N N 15 115.970 0.40 . 1 . . . . . -3 SER N . 15618 1 8 . 1 1 3 3 HIS H H 1 8.138 0.02 . 1 . . . . . -2 HIS H . 15618 1 9 . 1 1 3 3 HIS HA H 1 4.558 0.02 . 1 . . . . . -2 HIS HA . 15618 1 10 . 1 1 3 3 HIS HB2 H 1 3.031 0.02 . 2 . . . . . -2 HIS HB2 . 15618 1 11 . 1 1 3 3 HIS HB3 H 1 2.984 0.02 . 2 . . . . . -2 HIS HB3 . 15618 1 12 . 1 1 3 3 HIS HD2 H 1 6.924 0.02 . 1 . . . . . -2 HIS HD2 . 15618 1 13 . 1 1 3 3 HIS C C 13 176.502 0.40 . 1 . . . . . -2 HIS C . 15618 1 14 . 1 1 3 3 HIS CA C 13 56.164 0.40 . 1 . . . . . -2 HIS CA . 15618 1 15 . 1 1 3 3 HIS CB C 13 30.643 0.40 . 1 . . . . . -2 HIS CB . 15618 1 16 . 1 1 3 3 HIS CD2 C 13 119.077 0.40 . 1 . . . . . -2 HIS CD2 . 15618 1 17 . 1 1 3 3 HIS N N 15 122.640 0.40 . 1 . . . . . -2 HIS N . 15618 1 18 . 1 1 4 4 MET H H 1 8.130 0.02 . 1 . . . . . -1 MET H . 15618 1 19 . 1 1 4 4 MET HA H 1 4.471 0.02 . 1 . . . . . -1 MET HA . 15618 1 20 . 1 1 4 4 MET HB2 H 1 1.942 0.02 . 2 . . . . . -1 MET HB2 . 15618 1 21 . 1 1 4 4 MET HB3 H 1 1.791 0.02 . 2 . . . . . -1 MET HB3 . 15618 1 22 . 1 1 4 4 MET HE1 H 1 1.985 0.02 . 1 . . . . . -1 MET QE . 15618 1 23 . 1 1 4 4 MET HE2 H 1 1.985 0.02 . 1 . . . . . -1 MET QE . 15618 1 24 . 1 1 4 4 MET HE3 H 1 1.985 0.02 . 1 . . . . . -1 MET QE . 15618 1 25 . 1 1 4 4 MET HG2 H 1 2.385 0.02 . 2 . . . . . -1 MET HG2 . 15618 1 26 . 1 1 4 4 MET HG3 H 1 2.340 0.02 . 2 . . . . . -1 MET HG3 . 15618 1 27 . 1 1 4 4 MET C C 13 175.404 0.40 . 1 . . . . . -1 MET C . 15618 1 28 . 1 1 4 4 MET CA C 13 54.866 0.40 . 1 . . . . . -1 MET CA . 15618 1 29 . 1 1 4 4 MET CB C 13 33.462 0.40 . 1 . . . . . -1 MET CB . 15618 1 30 . 1 1 4 4 MET CE C 13 16.963 0.40 . 1 . . . . . -1 MET CE . 15618 1 31 . 1 1 4 4 MET CG C 13 31.767 0.40 . 1 . . . . . -1 MET CG . 15618 1 32 . 1 1 4 4 MET N N 15 121.529 0.40 . 1 . . . . . -1 MET N . 15618 1 33 . 1 1 5 5 GLY H H 1 7.766 0.02 . 1 . . . . . 527 GLY H . 15618 1 34 . 1 1 5 5 GLY HA2 H 1 3.878 0.02 . 2 . . . . . 527 GLY HA2 . 15618 1 35 . 1 1 5 5 GLY HA3 H 1 3.945 0.02 . 2 . . . . . 527 GLY HA3 . 15618 1 36 . 1 1 5 5 GLY C C 13 172.570 0.40 . 1 . . . . . 527 GLY C . 15618 1 37 . 1 1 5 5 GLY CA C 13 45.203 0.40 . 1 . . . . . 527 GLY CA . 15618 1 38 . 1 1 5 5 GLY N N 15 109.217 0.40 . 1 . . . . . 527 GLY N . 15618 1 39 . 1 1 6 6 THR H H 1 7.755 0.02 . 1 . . . . . 528 THR H . 15618 1 40 . 1 1 6 6 THR HA H 1 5.155 0.02 . 1 . . . . . 528 THR HA . 15618 1 41 . 1 1 6 6 THR HB H 1 3.957 0.02 . 1 . . . . . 528 THR HB . 15618 1 42 . 1 1 6 6 THR HG21 H 1 1.072 0.02 . 1 . . . . . 528 THR QG2 . 15618 1 43 . 1 1 6 6 THR HG22 H 1 1.072 0.02 . 1 . . . . . 528 THR QG2 . 15618 1 44 . 1 1 6 6 THR HG23 H 1 1.072 0.02 . 1 . . . . . 528 THR QG2 . 15618 1 45 . 1 1 6 6 THR C C 13 174.544 0.40 . 1 . . . . . 528 THR C . 15618 1 46 . 1 1 6 6 THR CA C 13 60.657 0.40 . 1 . . . . . 528 THR CA . 15618 1 47 . 1 1 6 6 THR CB C 13 68.218 0.40 . 1 . . . . . 528 THR CB . 15618 1 48 . 1 1 6 6 THR CG2 C 13 24.794 0.40 . 1 . . . . . 528 THR CG2 . 15618 1 49 . 1 1 6 6 THR N N 15 118.293 0.40 . 1 . . . . . 528 THR N . 15618 1 50 . 1 1 7 7 VAL H H 1 8.966 0.02 . 1 . . . . . 529 VAL H . 15618 1 51 . 1 1 7 7 VAL HA H 1 4.240 0.02 . 1 . . . . . 529 VAL HA . 15618 1 52 . 1 1 7 7 VAL HB H 1 0.964 0.02 . 1 . . . . . 529 VAL HB . 15618 1 53 . 1 1 7 7 VAL HG11 H 1 0.035 0.02 . 2 . . . . . 529 VAL QG1 . 15618 1 54 . 1 1 7 7 VAL HG12 H 1 0.035 0.02 . 2 . . . . . 529 VAL QG1 . 15618 1 55 . 1 1 7 7 VAL HG13 H 1 0.035 0.02 . 2 . . . . . 529 VAL QG1 . 15618 1 56 . 1 1 7 7 VAL HG21 H 1 -0.947 0.02 . 2 . . . . . 529 VAL QG2 . 15618 1 57 . 1 1 7 7 VAL HG22 H 1 -0.947 0.02 . 2 . . . . . 529 VAL QG2 . 15618 1 58 . 1 1 7 7 VAL HG23 H 1 -0.947 0.02 . 2 . . . . . 529 VAL QG2 . 15618 1 59 . 1 1 7 7 VAL C C 13 174.012 0.40 . 1 . . . . . 529 VAL C . 15618 1 60 . 1 1 7 7 VAL CA C 13 58.309 0.40 . 1 . . . . . 529 VAL CA . 15618 1 61 . 1 1 7 7 VAL CB C 13 35.661 0.40 . 1 . . . . . 529 VAL CB . 15618 1 62 . 1 1 7 7 VAL CG1 C 13 20.382 0.40 . 2 . . . . . 529 VAL CG1 . 15618 1 63 . 1 1 7 7 VAL CG2 C 13 15.831 0.40 . 2 . . . . . 529 VAL CG2 . 15618 1 64 . 1 1 7 7 VAL N N 15 121.381 0.40 . 1 . . . . . 529 VAL N . 15618 1 65 . 1 1 8 8 SER H H 1 8.193 0.02 . 1 . . . . . 530 SER H . 15618 1 66 . 1 1 8 8 SER HA H 1 4.825 0.02 . 1 . . . . . 530 SER HA . 15618 1 67 . 1 1 8 8 SER HB2 H 1 3.351 0.02 . 2 . . . . . 530 SER HB2 . 15618 1 68 . 1 1 8 8 SER HB3 H 1 3.143 0.02 . 2 . . . . . 530 SER HB3 . 15618 1 69 . 1 1 8 8 SER C C 13 172.908 0.40 . 1 . . . . . 530 SER C . 15618 1 70 . 1 1 8 8 SER CA C 13 55.790 0.40 . 1 . . . . . 530 SER CA . 15618 1 71 . 1 1 8 8 SER CB C 13 62.800 0.40 . 1 . . . . . 530 SER CB . 15618 1 72 . 1 1 8 8 SER N N 15 113.044 0.40 . 1 . . . . . 530 SER N . 15618 1 73 . 1 1 9 9 TRP H H 1 7.595 0.02 . 1 . . . . . 531 TRP H . 15618 1 74 . 1 1 9 9 TRP HA H 1 5.353 0.02 . 1 . . . . . 531 TRP HA . 15618 1 75 . 1 1 9 9 TRP HB2 H 1 3.075 0.02 . 2 . . . . . 531 TRP HB2 . 15618 1 76 . 1 1 9 9 TRP HB3 H 1 2.767 0.02 . 2 . . . . . 531 TRP HB3 . 15618 1 77 . 1 1 9 9 TRP HD1 H 1 6.998 0.02 . 1 . . . . . 531 TRP HD1 . 15618 1 78 . 1 1 9 9 TRP HE1 H 1 9.901 0.02 . 1 . . . . . 531 TRP HE1 . 15618 1 79 . 1 1 9 9 TRP HE3 H 1 6.760 0.02 . 1 . . . . . 531 TRP HE3 . 15618 1 80 . 1 1 9 9 TRP HH2 H 1 6.063 0.02 . 1 . . . . . 531 TRP HH2 . 15618 1 81 . 1 1 9 9 TRP HZ2 H 1 7.154 0.02 . 1 . . . . . 531 TRP HZ2 . 15618 1 82 . 1 1 9 9 TRP HZ3 H 1 6.202 0.02 . 1 . . . . . 531 TRP HZ3 . 15618 1 83 . 1 1 9 9 TRP C C 13 177.031 0.40 . 1 . . . . . 531 TRP C . 15618 1 84 . 1 1 9 9 TRP CA C 13 51.902 0.40 . 1 . . . . . 531 TRP CA . 15618 1 85 . 1 1 9 9 TRP CB C 13 32.848 0.40 . 1 . . . . . 531 TRP CB . 15618 1 86 . 1 1 9 9 TRP CD1 C 13 124.084 0.40 . 1 . . . . . 531 TRP CD1 . 15618 1 87 . 1 1 9 9 TRP CE3 C 13 118.278 0.40 . 1 . . . . . 531 TRP CE3 . 15618 1 88 . 1 1 9 9 TRP CH2 C 13 123.765 0.40 . 1 . . . . . 531 TRP CH2 . 15618 1 89 . 1 1 9 9 TRP CZ2 C 13 114.403 0.40 . 1 . . . . . 531 TRP CZ2 . 15618 1 90 . 1 1 9 9 TRP CZ3 C 13 121.403 0.40 . 1 . . . . . 531 TRP CZ3 . 15618 1 91 . 1 1 9 9 TRP N N 15 124.627 0.40 . 1 . . . . . 531 TRP N . 15618 1 92 . 1 1 9 9 TRP NE1 N 15 127.571 0.40 . 1 . . . . . 531 TRP NE1 . 15618 1 93 . 1 1 10 10 ASN H H 1 9.312 0.02 . 1 . . . . . 532 ASN H . 15618 1 94 . 1 1 10 10 ASN HA H 1 4.601 0.02 . 1 . . . . . 532 ASN HA . 15618 1 95 . 1 1 10 10 ASN HB2 H 1 3.271 0.02 . 2 . . . . . 532 ASN HB2 . 15618 1 96 . 1 1 10 10 ASN HB3 H 1 2.899 0.02 . 2 . . . . . 532 ASN HB3 . 15618 1 97 . 1 1 10 10 ASN HD21 H 1 7.410 0.02 . 2 . . . . . 532 ASN HD21 . 15618 1 98 . 1 1 10 10 ASN HD22 H 1 6.593 0.02 . 2 . . . . . 532 ASN HD22 . 15618 1 99 . 1 1 10 10 ASN C C 13 175.214 0.40 . 1 . . . . . 532 ASN C . 15618 1 100 . 1 1 10 10 ASN CA C 13 51.428 0.40 . 1 . . . . . 532 ASN CA . 15618 1 101 . 1 1 10 10 ASN CB C 13 38.140 0.40 . 1 . . . . . 532 ASN CB . 15618 1 102 . 1 1 10 10 ASN N N 15 121.842 0.40 . 1 . . . . . 532 ASN N . 15618 1 103 . 1 1 10 10 ASN ND2 N 15 111.125 0.40 . 1 . . . . . 532 ASN ND2 . 15618 1 104 . 1 1 11 11 LEU H H 1 8.503 0.02 . 1 . . . . . 533 LEU H . 15618 1 105 . 1 1 11 11 LEU HA H 1 4.086 0.02 . 1 . . . . . 533 LEU HA . 15618 1 106 . 1 1 11 11 LEU HB2 H 1 1.836 0.02 . 2 . . . . . 533 LEU HB2 . 15618 1 107 . 1 1 11 11 LEU HB3 H 1 1.641 0.02 . 2 . . . . . 533 LEU HB3 . 15618 1 108 . 1 1 11 11 LEU HD11 H 1 1.059 0.02 . 2 . . . . . 533 LEU QD1 . 15618 1 109 . 1 1 11 11 LEU HD12 H 1 1.059 0.02 . 2 . . . . . 533 LEU QD1 . 15618 1 110 . 1 1 11 11 LEU HD13 H 1 1.059 0.02 . 2 . . . . . 533 LEU QD1 . 15618 1 111 . 1 1 11 11 LEU HD21 H 1 0.986 0.02 . 2 . . . . . 533 LEU QD2 . 15618 1 112 . 1 1 11 11 LEU HD22 H 1 0.986 0.02 . 2 . . . . . 533 LEU QD2 . 15618 1 113 . 1 1 11 11 LEU HD23 H 1 0.986 0.02 . 2 . . . . . 533 LEU QD2 . 15618 1 114 . 1 1 11 11 LEU HG H 1 1.670 0.02 . 1 . . . . . 533 LEU HG . 15618 1 115 . 1 1 11 11 LEU C C 13 178.309 0.40 . 1 . . . . . 533 LEU C . 15618 1 116 . 1 1 11 11 LEU CA C 13 58.491 0.40 . 1 . . . . . 533 LEU CA . 15618 1 117 . 1 1 11 11 LEU CB C 13 41.525 0.40 . 1 . . . . . 533 LEU CB . 15618 1 118 . 1 1 11 11 LEU CD1 C 13 27.054 0.40 . 2 . . . . . 533 LEU CD1 . 15618 1 119 . 1 1 11 11 LEU CD2 C 13 23.300 0.40 . 2 . . . . . 533 LEU CD2 . 15618 1 120 . 1 1 11 11 LEU CG C 13 27.303 0.40 . 1 . . . . . 533 LEU CG . 15618 1 121 . 1 1 11 11 LEU N N 15 119.723 0.40 . 1 . . . . . 533 LEU N . 15618 1 122 . 1 1 12 12 ARG H H 1 8.057 0.02 . 1 . . . . . 534 ARG H . 15618 1 123 . 1 1 12 12 ARG HA H 1 3.840 0.02 . 1 . . . . . 534 ARG HA . 15618 1 124 . 1 1 12 12 ARG HB2 H 1 1.818 0.02 . 2 . . . . . 534 ARG QB . 15618 1 125 . 1 1 12 12 ARG HB3 H 1 1.818 0.02 . 2 . . . . . 534 ARG QB . 15618 1 126 . 1 1 12 12 ARG HD2 H 1 3.132 0.02 . 2 . . . . . 534 ARG QD . 15618 1 127 . 1 1 12 12 ARG HD3 H 1 3.132 0.02 . 2 . . . . . 534 ARG QD . 15618 1 128 . 1 1 12 12 ARG HG2 H 1 1.668 0.02 . 2 . . . . . 534 ARG HG2 . 15618 1 129 . 1 1 12 12 ARG HG3 H 1 1.460 0.02 . 2 . . . . . 534 ARG HG3 . 15618 1 130 . 1 1 12 12 ARG C C 13 179.597 0.40 . 1 . . . . . 534 ARG C . 15618 1 131 . 1 1 12 12 ARG CA C 13 59.873 0.40 . 1 . . . . . 534 ARG CA . 15618 1 132 . 1 1 12 12 ARG CB C 13 29.076 0.40 . 1 . . . . . 534 ARG CB . 15618 1 133 . 1 1 12 12 ARG CD C 13 42.999 0.40 . 1 . . . . . 534 ARG CD . 15618 1 134 . 1 1 12 12 ARG CG C 13 27.557 0.40 . 1 . . . . . 534 ARG CG . 15618 1 135 . 1 1 12 12 ARG N N 15 117.711 0.40 . 1 . . . . . 534 ARG N . 15618 1 136 . 1 1 13 13 GLU H H 1 8.342 0.02 . 1 . . . . . 535 GLU H . 15618 1 137 . 1 1 13 13 GLU HA H 1 3.724 0.02 . 1 . . . . . 535 GLU HA . 15618 1 138 . 1 1 13 13 GLU HB2 H 1 2.151 0.02 . 2 . . . . . 535 GLU HB2 . 15618 1 139 . 1 1 13 13 GLU HB3 H 1 1.180 0.02 . 2 . . . . . 535 GLU HB3 . 15618 1 140 . 1 1 13 13 GLU HG2 H 1 2.193 0.02 . 2 . . . . . 535 GLU HG2 . 15618 1 141 . 1 1 13 13 GLU HG3 H 1 1.828 0.02 . 2 . . . . . 535 GLU HG3 . 15618 1 142 . 1 1 13 13 GLU C C 13 179.948 0.40 . 1 . . . . . 535 GLU C . 15618 1 143 . 1 1 13 13 GLU CA C 13 58.753 0.40 . 1 . . . . . 535 GLU CA . 15618 1 144 . 1 1 13 13 GLU CB C 13 29.402 0.40 . 1 . . . . . 535 GLU CB . 15618 1 145 . 1 1 13 13 GLU CG C 13 36.766 0.40 . 1 . . . . . 535 GLU CG . 15618 1 146 . 1 1 13 13 GLU N N 15 121.501 0.40 . 1 . . . . . 535 GLU N . 15618 1 147 . 1 1 14 14 MET H H 1 8.684 0.02 . 1 . . . . . 536 MET H . 15618 1 148 . 1 1 14 14 MET HA H 1 3.945 0.02 . 1 . . . . . 536 MET HA . 15618 1 149 . 1 1 14 14 MET HB2 H 1 2.379 0.02 . 2 . . . . . 536 MET HB2 . 15618 1 150 . 1 1 14 14 MET HB3 H 1 2.333 0.02 . 2 . . . . . 536 MET HB3 . 15618 1 151 . 1 1 14 14 MET HE1 H 1 2.073 0.02 . 1 . . . . . 536 MET QE . 15618 1 152 . 1 1 14 14 MET HE2 H 1 2.073 0.02 . 1 . . . . . 536 MET QE . 15618 1 153 . 1 1 14 14 MET HE3 H 1 2.073 0.02 . 1 . . . . . 536 MET QE . 15618 1 154 . 1 1 14 14 MET HG2 H 1 2.989 0.02 . 2 . . . . . 536 MET HG2 . 15618 1 155 . 1 1 14 14 MET HG3 H 1 2.305 0.02 . 2 . . . . . 536 MET HG3 . 15618 1 156 . 1 1 14 14 MET C C 13 177.364 0.40 . 1 . . . . . 536 MET C . 15618 1 157 . 1 1 14 14 MET CA C 13 60.550 0.40 . 1 . . . . . 536 MET CA . 15618 1 158 . 1 1 14 14 MET CB C 13 34.412 0.40 . 1 . . . . . 536 MET CB . 15618 1 159 . 1 1 14 14 MET CE C 13 16.607 0.40 . 1 . . . . . 536 MET CE . 15618 1 160 . 1 1 14 14 MET CG C 13 32.994 0.40 . 1 . . . . . 536 MET CG . 15618 1 161 . 1 1 14 14 MET N N 15 120.565 0.40 . 1 . . . . . 536 MET N . 15618 1 162 . 1 1 15 15 LEU H H 1 8.731 0.02 . 1 . . . . . 537 LEU H . 15618 1 163 . 1 1 15 15 LEU HA H 1 3.970 0.02 . 1 . . . . . 537 LEU HA . 15618 1 164 . 1 1 15 15 LEU HB2 H 1 1.960 0.02 . 2 . . . . . 537 LEU HB2 . 15618 1 165 . 1 1 15 15 LEU HB3 H 1 1.657 0.02 . 2 . . . . . 537 LEU HB3 . 15618 1 166 . 1 1 15 15 LEU HD11 H 1 1.249 0.02 . 2 . . . . . 537 LEU QD1 . 15618 1 167 . 1 1 15 15 LEU HD12 H 1 1.249 0.02 . 2 . . . . . 537 LEU QD1 . 15618 1 168 . 1 1 15 15 LEU HD13 H 1 1.249 0.02 . 2 . . . . . 537 LEU QD1 . 15618 1 169 . 1 1 15 15 LEU HD21 H 1 0.927 0.02 . 2 . . . . . 537 LEU QD2 . 15618 1 170 . 1 1 15 15 LEU HD22 H 1 0.927 0.02 . 2 . . . . . 537 LEU QD2 . 15618 1 171 . 1 1 15 15 LEU HD23 H 1 0.927 0.02 . 2 . . . . . 537 LEU QD2 . 15618 1 172 . 1 1 15 15 LEU HG H 1 1.963 0.02 . 1 . . . . . 537 LEU HG . 15618 1 173 . 1 1 15 15 LEU C C 13 178.544 0.40 . 1 . . . . . 537 LEU C . 15618 1 174 . 1 1 15 15 LEU CA C 13 57.723 0.40 . 1 . . . . . 537 LEU CA . 15618 1 175 . 1 1 15 15 LEU CB C 13 41.396 0.40 . 1 . . . . . 537 LEU CB . 15618 1 176 . 1 1 15 15 LEU CD1 C 13 23.446 0.40 . 2 . . . . . 537 LEU CD1 . 15618 1 177 . 1 1 15 15 LEU CD2 C 13 25.966 0.40 . 2 . . . . . 537 LEU CD2 . 15618 1 178 . 1 1 15 15 LEU CG C 13 27.096 0.40 . 1 . . . . . 537 LEU CG . 15618 1 179 . 1 1 15 15 LEU N N 15 118.710 0.40 . 1 . . . . . 537 LEU N . 15618 1 180 . 1 1 16 16 ALA H H 1 7.816 0.02 . 1 . . . . . 538 ALA H . 15618 1 181 . 1 1 16 16 ALA HA H 1 4.026 0.02 . 1 . . . . . 538 ALA HA . 15618 1 182 . 1 1 16 16 ALA HB1 H 1 1.302 0.02 . 1 . . . . . 538 ALA QB . 15618 1 183 . 1 1 16 16 ALA HB2 H 1 1.302 0.02 . 1 . . . . . 538 ALA QB . 15618 1 184 . 1 1 16 16 ALA HB3 H 1 1.302 0.02 . 1 . . . . . 538 ALA QB . 15618 1 185 . 1 1 16 16 ALA C C 13 180.374 0.40 . 1 . . . . . 538 ALA C . 15618 1 186 . 1 1 16 16 ALA CA C 13 54.734 0.40 . 1 . . . . . 538 ALA CA . 15618 1 187 . 1 1 16 16 ALA CB C 13 17.670 0.40 . 1 . . . . . 538 ALA CB . 15618 1 188 . 1 1 16 16 ALA N N 15 120.155 0.40 . 1 . . . . . 538 ALA N . 15618 1 189 . 1 1 17 17 HIS H H 1 7.715 0.02 . 1 . . . . . 539 HIS H . 15618 1 190 . 1 1 17 17 HIS HA H 1 4.180 0.02 . 1 . . . . . 539 HIS HA . 15618 1 191 . 1 1 17 17 HIS HB2 H 1 3.179 0.02 . 2 . . . . . 539 HIS HB2 . 15618 1 192 . 1 1 17 17 HIS HB3 H 1 2.714 0.02 . 2 . . . . . 539 HIS HB3 . 15618 1 193 . 1 1 17 17 HIS HD2 H 1 6.430 0.02 . 1 . . . . . 539 HIS HD2 . 15618 1 194 . 1 1 17 17 HIS C C 13 179.167 0.40 . 1 . . . . . 539 HIS C . 15618 1 195 . 1 1 17 17 HIS CA C 13 59.392 0.40 . 1 . . . . . 539 HIS CA . 15618 1 196 . 1 1 17 17 HIS CB C 13 29.094 0.40 . 1 . . . . . 539 HIS CB . 15618 1 197 . 1 1 17 17 HIS CD2 C 13 126.273 0.40 . 1 . . . . . 539 HIS CD2 . 15618 1 198 . 1 1 17 17 HIS N N 15 117.446 0.40 . 1 . . . . . 539 HIS N . 15618 1 199 . 1 1 18 18 ALA H H 1 8.995 0.02 . 1 . . . . . 540 ALA H . 15618 1 200 . 1 1 18 18 ALA HA H 1 3.656 0.02 . 1 . . . . . 540 ALA HA . 15618 1 201 . 1 1 18 18 ALA HB1 H 1 1.421 0.02 . 1 . . . . . 540 ALA QB . 15618 1 202 . 1 1 18 18 ALA HB2 H 1 1.421 0.02 . 1 . . . . . 540 ALA QB . 15618 1 203 . 1 1 18 18 ALA HB3 H 1 1.421 0.02 . 1 . . . . . 540 ALA QB . 15618 1 204 . 1 1 18 18 ALA C C 13 180.803 0.40 . 1 . . . . . 540 ALA C . 15618 1 205 . 1 1 18 18 ALA CA C 13 55.762 0.40 . 1 . . . . . 540 ALA CA . 15618 1 206 . 1 1 18 18 ALA CB C 13 18.380 0.40 . 1 . . . . . 540 ALA CB . 15618 1 207 . 1 1 18 18 ALA N N 15 124.222 0.40 . 1 . . . . . 540 ALA N . 15618 1 208 . 1 1 19 19 GLU H H 1 8.840 0.02 . 1 . . . . . 541 GLU H . 15618 1 209 . 1 1 19 19 GLU HA H 1 3.695 0.02 . 1 . . . . . 541 GLU HA . 15618 1 210 . 1 1 19 19 GLU HB2 H 1 2.117 0.02 . 2 . . . . . 541 GLU HB2 . 15618 1 211 . 1 1 19 19 GLU HB3 H 1 1.933 0.02 . 2 . . . . . 541 GLU HB3 . 15618 1 212 . 1 1 19 19 GLU HG2 H 1 2.325 0.02 . 2 . . . . . 541 GLU HG2 . 15618 1 213 . 1 1 19 19 GLU HG3 H 1 2.065 0.02 . 2 . . . . . 541 GLU HG3 . 15618 1 214 . 1 1 19 19 GLU C C 13 178.479 0.40 . 1 . . . . . 541 GLU C . 15618 1 215 . 1 1 19 19 GLU CA C 13 59.695 0.40 . 1 . . . . . 541 GLU CA . 15618 1 216 . 1 1 19 19 GLU CB C 13 29.740 0.40 . 1 . . . . . 541 GLU CB . 15618 1 217 . 1 1 19 19 GLU CG C 13 36.905 0.40 . 1 . . . . . 541 GLU CG . 15618 1 218 . 1 1 19 19 GLU N N 15 121.086 0.40 . 1 . . . . . 541 GLU N . 15618 1 219 . 1 1 20 20 GLU H H 1 7.649 0.02 . 1 . . . . . 542 GLU H . 15618 1 220 . 1 1 20 20 GLU HA H 1 3.980 0.02 . 1 . . . . . 542 GLU HA . 15618 1 221 . 1 1 20 20 GLU HB2 H 1 2.063 0.02 . 2 . . . . . 542 GLU HB2 . 15618 1 222 . 1 1 20 20 GLU HB3 H 1 1.909 0.02 . 2 . . . . . 542 GLU HB3 . 15618 1 223 . 1 1 20 20 GLU HG2 H 1 2.249 0.02 . 2 . . . . . 542 GLU HG2 . 15618 1 224 . 1 1 20 20 GLU HG3 H 1 2.109 0.02 . 2 . . . . . 542 GLU HG3 . 15618 1 225 . 1 1 20 20 GLU C C 13 178.212 0.40 . 1 . . . . . 542 GLU C . 15618 1 226 . 1 1 20 20 GLU CA C 13 58.593 0.40 . 1 . . . . . 542 GLU CA . 15618 1 227 . 1 1 20 20 GLU CB C 13 30.293 0.40 . 1 . . . . . 542 GLU CB . 15618 1 228 . 1 1 20 20 GLU CG C 13 35.801 0.40 . 1 . . . . . 542 GLU CG . 15618 1 229 . 1 1 20 20 GLU N N 15 117.027 0.40 . 1 . . . . . 542 GLU N . 15618 1 230 . 1 1 21 21 THR H H 1 7.588 0.02 . 1 . . . . . 543 THR H . 15618 1 231 . 1 1 21 21 THR HA H 1 4.105 0.02 . 1 . . . . . 543 THR HA . 15618 1 232 . 1 1 21 21 THR HB H 1 3.996 0.02 . 1 . . . . . 543 THR HB . 15618 1 233 . 1 1 21 21 THR HG21 H 1 0.773 0.02 . 1 . . . . . 543 THR QG2 . 15618 1 234 . 1 1 21 21 THR HG22 H 1 0.773 0.02 . 1 . . . . . 543 THR QG2 . 15618 1 235 . 1 1 21 21 THR HG23 H 1 0.773 0.02 . 1 . . . . . 543 THR QG2 . 15618 1 236 . 1 1 21 21 THR C C 13 175.320 0.40 . 1 . . . . . 543 THR C . 15618 1 237 . 1 1 21 21 THR CA C 13 62.110 0.40 . 1 . . . . . 543 THR CA . 15618 1 238 . 1 1 21 21 THR CB C 13 70.747 0.40 . 1 . . . . . 543 THR CB . 15618 1 239 . 1 1 21 21 THR CG2 C 13 20.819 0.40 . 1 . . . . . 543 THR CG2 . 15618 1 240 . 1 1 21 21 THR N N 15 105.058 0.40 . 1 . . . . . 543 THR N . 15618 1 241 . 1 1 22 22 ARG H H 1 7.678 0.02 . 1 . . . . . 544 ARG H . 15618 1 242 . 1 1 22 22 ARG HA H 1 3.925 0.02 . 1 . . . . . 544 ARG HA . 15618 1 243 . 1 1 22 22 ARG HB2 H 1 1.980 0.02 . 2 . . . . . 544 ARG HB2 . 15618 1 244 . 1 1 22 22 ARG HB3 H 1 1.960 0.02 . 2 . . . . . 544 ARG HB3 . 15618 1 245 . 1 1 22 22 ARG HD2 H 1 3.123 0.02 . 2 . . . . . 544 ARG HD2 . 15618 1 246 . 1 1 22 22 ARG HD3 H 1 3.020 0.02 . 2 . . . . . 544 ARG HD3 . 15618 1 247 . 1 1 22 22 ARG HG2 H 1 1.582 0.02 . 2 . . . . . 544 ARG HG2 . 15618 1 248 . 1 1 22 22 ARG HG3 H 1 1.441 0.02 . 2 . . . . . 544 ARG HG3 . 15618 1 249 . 1 1 22 22 ARG C C 13 175.207 0.40 . 1 . . . . . 544 ARG C . 15618 1 250 . 1 1 22 22 ARG CA C 13 55.996 0.40 . 1 . . . . . 544 ARG CA . 15618 1 251 . 1 1 22 22 ARG CB C 13 24.959 0.40 . 1 . . . . . 544 ARG CB . 15618 1 252 . 1 1 22 22 ARG CD C 13 41.593 0.40 . 1 . . . . . 544 ARG CD . 15618 1 253 . 1 1 22 22 ARG CG C 13 25.769 0.40 . 1 . . . . . 544 ARG CG . 15618 1 254 . 1 1 22 22 ARG N N 15 116.694 0.40 . 1 . . . . . 544 ARG N . 15618 1 255 . 1 1 23 23 LYS H H 1 6.931 0.02 . 1 . . . . . 545 LYS H . 15618 1 256 . 1 1 23 23 LYS HA H 1 4.169 0.02 . 1 . . . . . 545 LYS HA . 15618 1 257 . 1 1 23 23 LYS HB2 H 1 1.668 0.02 . 2 . . . . . 545 LYS HB2 . 15618 1 258 . 1 1 23 23 LYS HB3 H 1 1.042 0.02 . 2 . . . . . 545 LYS HB3 . 15618 1 259 . 1 1 23 23 LYS HD2 H 1 1.297 0.02 . 2 . . . . . 545 LYS HD2 . 15618 1 260 . 1 1 23 23 LYS HD3 H 1 1.381 0.02 . 2 . . . . . 545 LYS HD3 . 15618 1 261 . 1 1 23 23 LYS HE2 H 1 2.789 0.02 . 2 . . . . . 545 LYS QE . 15618 1 262 . 1 1 23 23 LYS HE3 H 1 2.789 0.02 . 2 . . . . . 545 LYS QE . 15618 1 263 . 1 1 23 23 LYS HG2 H 1 1.294 0.02 . 2 . . . . . 545 LYS HG2 . 15618 1 264 . 1 1 23 23 LYS HG3 H 1 1.026 0.02 . 2 . . . . . 545 LYS HG3 . 15618 1 265 . 1 1 23 23 LYS C C 13 174.855 0.40 . 1 . . . . . 545 LYS C . 15618 1 266 . 1 1 23 23 LYS CA C 13 56.339 0.40 . 1 . . . . . 545 LYS CA . 15618 1 267 . 1 1 23 23 LYS CB C 13 36.104 0.40 . 1 . . . . . 545 LYS CB . 15618 1 268 . 1 1 23 23 LYS CD C 13 30.659 0.40 . 1 . . . . . 545 LYS CD . 15618 1 269 . 1 1 23 23 LYS CE C 13 42.064 0.40 . 1 . . . . . 545 LYS CE . 15618 1 270 . 1 1 23 23 LYS CG C 13 26.584 0.40 . 1 . . . . . 545 LYS CG . 15618 1 271 . 1 1 23 23 LYS N N 15 117.744 0.40 . 1 . . . . . 545 LYS N . 15618 1 272 . 1 1 24 24 LEU H H 1 7.898 0.02 . 1 . . . . . 546 LEU H . 15618 1 273 . 1 1 24 24 LEU HA H 1 4.487 0.02 . 1 . . . . . 546 LEU HA . 15618 1 274 . 1 1 24 24 LEU HB2 H 1 1.577 0.02 . 2 . . . . . 546 LEU HB2 . 15618 1 275 . 1 1 24 24 LEU HB3 H 1 1.336 0.02 . 2 . . . . . 546 LEU HB3 . 15618 1 276 . 1 1 24 24 LEU HD11 H 1 0.557 0.02 . 2 . . . . . 546 LEU QD1 . 15618 1 277 . 1 1 24 24 LEU HD12 H 1 0.557 0.02 . 2 . . . . . 546 LEU QD1 . 15618 1 278 . 1 1 24 24 LEU HD13 H 1 0.557 0.02 . 2 . . . . . 546 LEU QD1 . 15618 1 279 . 1 1 24 24 LEU HD21 H 1 0.630 0.02 . 2 . . . . . 546 LEU QD2 . 15618 1 280 . 1 1 24 24 LEU HD22 H 1 0.630 0.02 . 2 . . . . . 546 LEU QD2 . 15618 1 281 . 1 1 24 24 LEU HD23 H 1 0.630 0.02 . 2 . . . . . 546 LEU QD2 . 15618 1 282 . 1 1 24 24 LEU HG H 1 1.126 0.02 . 1 . . . . . 546 LEU HG . 15618 1 283 . 1 1 24 24 LEU C C 13 175.730 0.40 . 1 . . . . . 546 LEU C . 15618 1 284 . 1 1 24 24 LEU CA C 13 54.171 0.40 . 1 . . . . . 546 LEU CA . 15618 1 285 . 1 1 24 24 LEU CB C 13 43.228 0.40 . 1 . . . . . 546 LEU CB . 15618 1 286 . 1 1 24 24 LEU CD1 C 13 26.160 0.40 . 2 . . . . . 546 LEU CD1 . 15618 1 287 . 1 1 24 24 LEU CD2 C 13 24.860 0.40 . 2 . . . . . 546 LEU CD2 . 15618 1 288 . 1 1 24 24 LEU CG C 13 26.912 0.40 . 1 . . . . . 546 LEU CG . 15618 1 289 . 1 1 24 24 LEU N N 15 122.692 0.40 . 1 . . . . . 546 LEU N . 15618 1 290 . 1 1 25 25 MET H H 1 8.767 0.02 . 1 . . . . . 547 MET H . 15618 1 291 . 1 1 25 25 MET HA H 1 5.728 0.02 . 1 . . . . . 547 MET HA . 15618 1 292 . 1 1 25 25 MET HB2 H 1 1.968 0.02 . 2 . . . . . 547 MET HB2 . 15618 1 293 . 1 1 25 25 MET HB3 H 1 1.164 0.02 . 2 . . . . . 547 MET HB3 . 15618 1 294 . 1 1 25 25 MET HE1 H 1 2.032 0.02 . 1 . . . . . 547 MET QE . 15618 1 295 . 1 1 25 25 MET HE2 H 1 2.032 0.02 . 1 . . . . . 547 MET QE . 15618 1 296 . 1 1 25 25 MET HE3 H 1 2.032 0.02 . 1 . . . . . 547 MET QE . 15618 1 297 . 1 1 25 25 MET HG2 H 1 2.303 0.02 . 2 . . . . . 547 MET HG2 . 15618 1 298 . 1 1 25 25 MET HG3 H 1 2.701 0.02 . 2 . . . . . 547 MET HG3 . 15618 1 299 . 1 1 25 25 MET CA C 13 51.900 0.40 . 1 . . . . . 547 MET CA . 15618 1 300 . 1 1 25 25 MET CB C 13 34.876 0.40 . 1 . . . . . 547 MET CB . 15618 1 301 . 1 1 25 25 MET CE C 13 19.634 0.40 . 1 . . . . . 547 MET CE . 15618 1 302 . 1 1 25 25 MET CG C 13 32.377 0.40 . 1 . . . . . 547 MET CG . 15618 1 303 . 1 1 25 25 MET N N 15 126.346 0.40 . 1 . . . . . 547 MET N . 15618 1 304 . 1 1 26 26 PRO HA H 1 5.994 0.02 . 1 . . . . . 548 PRO HA . 15618 1 305 . 1 1 26 26 PRO HB2 H 1 2.404 0.02 . 2 . . . . . 548 PRO HB2 . 15618 1 306 . 1 1 26 26 PRO HB3 H 1 2.329 0.02 . 2 . . . . . 548 PRO HB3 . 15618 1 307 . 1 1 26 26 PRO HD2 H 1 4.004 0.02 . 2 . . . . . 548 PRO QD . 15618 1 308 . 1 1 26 26 PRO HD3 H 1 4.004 0.02 . 2 . . . . . 548 PRO QD . 15618 1 309 . 1 1 26 26 PRO HG2 H 1 2.013 0.02 . 2 . . . . . 548 PRO HG2 . 15618 1 310 . 1 1 26 26 PRO HG3 H 1 1.552 0.02 . 2 . . . . . 548 PRO HG3 . 15618 1 311 . 1 1 26 26 PRO C C 13 176.241 0.40 . 1 . . . . . 548 PRO C . 15618 1 312 . 1 1 26 26 PRO CA C 13 61.285 0.40 . 1 . . . . . 548 PRO CA . 15618 1 313 . 1 1 26 26 PRO CB C 13 32.260 0.40 . 1 . . . . . 548 PRO CB . 15618 1 314 . 1 1 26 26 PRO CD C 13 51.423 0.40 . 1 . . . . . 548 PRO CD . 15618 1 315 . 1 1 26 26 PRO CG C 13 29.401 0.40 . 1 . . . . . 548 PRO CG . 15618 1 316 . 1 1 27 27 ILE H H 1 9.054 0.02 . 1 . . . . . 549 ILE H . 15618 1 317 . 1 1 27 27 ILE HA H 1 4.284 0.02 . 1 . . . . . 549 ILE HA . 15618 1 318 . 1 1 27 27 ILE HB H 1 1.774 0.02 . 1 . . . . . 549 ILE HB . 15618 1 319 . 1 1 27 27 ILE HD11 H 1 0.878 0.02 . 1 . . . . . 549 ILE QD1 . 15618 1 320 . 1 1 27 27 ILE HD12 H 1 0.878 0.02 . 1 . . . . . 549 ILE QD1 . 15618 1 321 . 1 1 27 27 ILE HD13 H 1 0.878 0.02 . 1 . . . . . 549 ILE QD1 . 15618 1 322 . 1 1 27 27 ILE HG12 H 1 1.604 0.02 . 2 . . . . . 549 ILE HG12 . 15618 1 323 . 1 1 27 27 ILE HG13 H 1 1.264 0.02 . 2 . . . . . 549 ILE HG13 . 15618 1 324 . 1 1 27 27 ILE HG21 H 1 0.717 0.02 . 1 . . . . . 549 ILE QG2 . 15618 1 325 . 1 1 27 27 ILE HG22 H 1 0.717 0.02 . 1 . . . . . 549 ILE QG2 . 15618 1 326 . 1 1 27 27 ILE HG23 H 1 0.717 0.02 . 1 . . . . . 549 ILE QG2 . 15618 1 327 . 1 1 27 27 ILE C C 13 173.407 0.40 . 1 . . . . . 549 ILE C . 15618 1 328 . 1 1 27 27 ILE CA C 13 57.503 0.40 . 1 . . . . . 549 ILE CA . 15618 1 329 . 1 1 27 27 ILE CB C 13 41.581 0.40 . 1 . . . . . 549 ILE CB . 15618 1 330 . 1 1 27 27 ILE CD1 C 13 10.188 0.40 . 1 . . . . . 549 ILE CD1 . 15618 1 331 . 1 1 27 27 ILE CG1 C 13 26.638 0.40 . 1 . . . . . 549 ILE CG1 . 15618 1 332 . 1 1 27 27 ILE CG2 C 13 18.937 0.40 . 1 . . . . . 549 ILE CG2 . 15618 1 333 . 1 1 27 27 ILE N N 15 126.281 0.40 . 1 . . . . . 549 ILE N . 15618 1 334 . 1 1 28 28 CYS H H 1 8.459 0.02 . 1 . . . . . 550 CYS H . 15618 1 335 . 1 1 28 28 CYS HA H 1 3.704 0.02 . 1 . . . . . 550 CYS HA . 15618 1 336 . 1 1 28 28 CYS HB2 H 1 2.748 0.02 . 2 . . . . . 550 CYS HB2 . 15618 1 337 . 1 1 28 28 CYS HB3 H 1 2.652 0.02 . 2 . . . . . 550 CYS HB3 . 15618 1 338 . 1 1 28 28 CYS HG H 1 1.467 0.02 . 1 . . . . . 550 CYS HG . 15618 1 339 . 1 1 28 28 CYS C C 13 174.180 0.40 . 1 . . . . . 550 CYS C . 15618 1 340 . 1 1 28 28 CYS CA C 13 56.873 0.40 . 1 . . . . . 550 CYS CA . 15618 1 341 . 1 1 28 28 CYS CB C 13 27.537 0.40 . 1 . . . . . 550 CYS CB . 15618 1 342 . 1 1 28 28 CYS N N 15 125.844 0.40 . 1 . . . . . 550 CYS N . 15618 1 343 . 1 1 29 29 MET H H 1 8.782 0.02 . 1 . . . . . 551 MET H . 15618 1 344 . 1 1 29 29 MET HA H 1 4.637 0.02 . 1 . . . . . 551 MET HA . 15618 1 345 . 1 1 29 29 MET HB2 H 1 1.850 0.02 . 2 . . . . . 551 MET HB2 . 15618 1 346 . 1 1 29 29 MET HB3 H 1 1.643 0.02 . 2 . . . . . 551 MET HB3 . 15618 1 347 . 1 1 29 29 MET HE1 H 1 1.573 0.02 . 1 . . . . . 551 MET QE . 15618 1 348 . 1 1 29 29 MET HE2 H 1 1.573 0.02 . 1 . . . . . 551 MET QE . 15618 1 349 . 1 1 29 29 MET HE3 H 1 1.573 0.02 . 1 . . . . . 551 MET QE . 15618 1 350 . 1 1 29 29 MET HG2 H 1 2.133 0.02 . 2 . . . . . 551 MET HG2 . 15618 1 351 . 1 1 29 29 MET HG3 H 1 1.982 0.02 . 2 . . . . . 551 MET HG3 . 15618 1 352 . 1 1 29 29 MET C C 13 174.613 0.40 . 1 . . . . . 551 MET C . 15618 1 353 . 1 1 29 29 MET CA C 13 56.871 0.40 . 1 . . . . . 551 MET CA . 15618 1 354 . 1 1 29 29 MET CB C 13 34.394 0.40 . 1 . . . . . 551 MET CB . 15618 1 355 . 1 1 29 29 MET CE C 13 15.968 0.40 . 1 . . . . . 551 MET CE . 15618 1 356 . 1 1 29 29 MET CG C 13 30.206 0.40 . 1 . . . . . 551 MET CG . 15618 1 357 . 1 1 29 29 MET N N 15 127.467 0.40 . 1 . . . . . 551 MET N . 15618 1 358 . 1 1 30 30 ASP H H 1 7.308 0.02 . 1 . . . . . 552 ASP H . 15618 1 359 . 1 1 30 30 ASP HA H 1 4.562 0.02 . 1 . . . . . 552 ASP HA . 15618 1 360 . 1 1 30 30 ASP HB2 H 1 2.892 0.02 . 2 . . . . . 552 ASP HB2 . 15618 1 361 . 1 1 30 30 ASP HB3 H 1 2.329 0.02 . 2 . . . . . 552 ASP HB3 . 15618 1 362 . 1 1 30 30 ASP C C 13 175.386 0.40 . 1 . . . . . 552 ASP C . 15618 1 363 . 1 1 30 30 ASP CA C 13 54.371 0.40 . 1 . . . . . 552 ASP CA . 15618 1 364 . 1 1 30 30 ASP CB C 13 41.751 0.40 . 1 . . . . . 552 ASP CB . 15618 1 365 . 1 1 30 30 ASP N N 15 117.209 0.40 . 1 . . . . . 552 ASP N . 15618 1 366 . 1 1 31 31 VAL H H 1 7.257 0.02 . 1 . . . . . 553 VAL H . 15618 1 367 . 1 1 31 31 VAL HA H 1 4.057 0.02 . 1 . . . . . 553 VAL HA . 15618 1 368 . 1 1 31 31 VAL HB H 1 2.225 0.02 . 1 . . . . . 553 VAL HB . 15618 1 369 . 1 1 31 31 VAL HG11 H 1 0.991 0.02 . 2 . . . . . 553 VAL QG1 . 15618 1 370 . 1 1 31 31 VAL HG12 H 1 0.991 0.02 . 2 . . . . . 553 VAL QG1 . 15618 1 371 . 1 1 31 31 VAL HG13 H 1 0.991 0.02 . 2 . . . . . 553 VAL QG1 . 15618 1 372 . 1 1 31 31 VAL HG21 H 1 0.869 0.02 . 2 . . . . . 553 VAL QG2 . 15618 1 373 . 1 1 31 31 VAL HG22 H 1 0.869 0.02 . 2 . . . . . 553 VAL QG2 . 15618 1 374 . 1 1 31 31 VAL HG23 H 1 0.869 0.02 . 2 . . . . . 553 VAL QG2 . 15618 1 375 . 1 1 31 31 VAL C C 13 175.729 0.40 . 1 . . . . . 553 VAL C . 15618 1 376 . 1 1 31 31 VAL CA C 13 61.834 0.40 . 1 . . . . . 553 VAL CA . 15618 1 377 . 1 1 31 31 VAL CB C 13 30.034 0.40 . 1 . . . . . 553 VAL CB . 15618 1 378 . 1 1 31 31 VAL CG1 C 13 22.062 0.40 . 2 . . . . . 553 VAL CG1 . 15618 1 379 . 1 1 31 31 VAL CG2 C 13 20.663 0.40 . 2 . . . . . 553 VAL CG2 . 15618 1 380 . 1 1 31 31 VAL N N 15 120.645 0.40 . 1 . . . . . 553 VAL N . 15618 1 381 . 1 1 32 32 ARG H H 1 8.412 0.02 . 1 . . . . . 554 ARG H . 15618 1 382 . 1 1 32 32 ARG HA H 1 3.794 0.02 . 1 . . . . . 554 ARG HA . 15618 1 383 . 1 1 32 32 ARG HB2 H 1 1.771 0.02 . 2 . . . . . 554 ARG QB . 15618 1 384 . 1 1 32 32 ARG HB3 H 1 1.771 0.02 . 2 . . . . . 554 ARG QB . 15618 1 385 . 1 1 32 32 ARG HD2 H 1 3.128 0.02 . 2 . . . . . 554 ARG QD . 15618 1 386 . 1 1 32 32 ARG HD3 H 1 3.128 0.02 . 2 . . . . . 554 ARG QD . 15618 1 387 . 1 1 32 32 ARG HG2 H 1 1.650 0.02 . 2 . . . . . 554 ARG HG2 . 15618 1 388 . 1 1 32 32 ARG HG3 H 1 1.579 0.02 . 2 . . . . . 554 ARG HG3 . 15618 1 389 . 1 1 32 32 ARG C C 13 178.819 0.40 . 1 . . . . . 554 ARG C . 15618 1 390 . 1 1 32 32 ARG CA C 13 59.725 0.40 . 1 . . . . . 554 ARG CA . 15618 1 391 . 1 1 32 32 ARG CB C 13 29.537 0.40 . 1 . . . . . 554 ARG CB . 15618 1 392 . 1 1 32 32 ARG CD C 13 42.925 0.40 . 1 . . . . . 554 ARG CD . 15618 1 393 . 1 1 32 32 ARG CG C 13 26.880 0.40 . 1 . . . . . 554 ARG CG . 15618 1 394 . 1 1 32 32 ARG N N 15 130.554 0.40 . 1 . . . . . 554 ARG N . 15618 1 395 . 1 1 33 33 ALA H H 1 9.094 0.02 . 1 . . . . . 555 ALA H . 15618 1 396 . 1 1 33 33 ALA HA H 1 4.081 0.02 . 1 . . . . . 555 ALA HA . 15618 1 397 . 1 1 33 33 ALA HB1 H 1 1.363 0.02 . 1 . . . . . 555 ALA QB . 15618 1 398 . 1 1 33 33 ALA HB2 H 1 1.363 0.02 . 1 . . . . . 555 ALA QB . 15618 1 399 . 1 1 33 33 ALA HB3 H 1 1.363 0.02 . 1 . . . . . 555 ALA QB . 15618 1 400 . 1 1 33 33 ALA C C 13 180.716 0.40 . 1 . . . . . 555 ALA C . 15618 1 401 . 1 1 33 33 ALA CA C 13 55.002 0.40 . 1 . . . . . 555 ALA CA . 15618 1 402 . 1 1 33 33 ALA CB C 13 18.462 0.40 . 1 . . . . . 555 ALA CB . 15618 1 403 . 1 1 33 33 ALA N N 15 119.862 0.40 . 1 . . . . . 555 ALA N . 15618 1 404 . 1 1 34 34 ILE H H 1 6.620 0.02 . 1 . . . . . 556 ILE H . 15618 1 405 . 1 1 34 34 ILE HA H 1 3.745 0.02 . 1 . . . . . 556 ILE HA . 15618 1 406 . 1 1 34 34 ILE HB H 1 1.788 0.02 . 1 . . . . . 556 ILE HB . 15618 1 407 . 1 1 34 34 ILE HD11 H 1 0.966 0.02 . 1 . . . . . 556 ILE QD1 . 15618 1 408 . 1 1 34 34 ILE HD12 H 1 0.966 0.02 . 1 . . . . . 556 ILE QD1 . 15618 1 409 . 1 1 34 34 ILE HD13 H 1 0.966 0.02 . 1 . . . . . 556 ILE QD1 . 15618 1 410 . 1 1 34 34 ILE HG12 H 1 1.686 0.02 . 2 . . . . . 556 ILE HG12 . 15618 1 411 . 1 1 34 34 ILE HG13 H 1 1.158 0.02 . 2 . . . . . 556 ILE HG13 . 15618 1 412 . 1 1 34 34 ILE HG21 H 1 0.957 0.02 . 1 . . . . . 556 ILE QG2 . 15618 1 413 . 1 1 34 34 ILE HG22 H 1 0.957 0.02 . 1 . . . . . 556 ILE QG2 . 15618 1 414 . 1 1 34 34 ILE HG23 H 1 0.957 0.02 . 1 . . . . . 556 ILE QG2 . 15618 1 415 . 1 1 34 34 ILE C C 13 177.540 0.40 . 1 . . . . . 556 ILE C . 15618 1 416 . 1 1 34 34 ILE CA C 13 64.101 0.40 . 1 . . . . . 556 ILE CA . 15618 1 417 . 1 1 34 34 ILE CB C 13 38.397 0.40 . 1 . . . . . 556 ILE CB . 15618 1 418 . 1 1 34 34 ILE CD1 C 13 13.164 0.40 . 1 . . . . . 556 ILE CD1 . 15618 1 419 . 1 1 34 34 ILE CG1 C 13 28.588 0.40 . 1 . . . . . 556 ILE CG1 . 15618 1 420 . 1 1 34 34 ILE CG2 C 13 17.676 0.40 . 1 . . . . . 556 ILE CG2 . 15618 1 421 . 1 1 34 34 ILE N N 15 116.216 0.40 . 1 . . . . . 556 ILE N . 15618 1 422 . 1 1 35 35 MET H H 1 7.619 0.02 . 1 . . . . . 557 MET H . 15618 1 423 . 1 1 35 35 MET HA H 1 4.249 0.02 . 1 . . . . . 557 MET HA . 15618 1 424 . 1 1 35 35 MET HB2 H 1 1.768 0.02 . 2 . . . . . 557 MET HB2 . 15618 1 425 . 1 1 35 35 MET HB3 H 1 1.926 0.02 . 2 . . . . . 557 MET HB3 . 15618 1 426 . 1 1 35 35 MET HE1 H 1 1.529 0.02 . 1 . . . . . 557 MET QE . 15618 1 427 . 1 1 35 35 MET HE2 H 1 1.529 0.02 . 1 . . . . . 557 MET QE . 15618 1 428 . 1 1 35 35 MET HE3 H 1 1.529 0.02 . 1 . . . . . 557 MET QE . 15618 1 429 . 1 1 35 35 MET HG2 H 1 2.608 0.02 . 2 . . . . . 557 MET HG2 . 15618 1 430 . 1 1 35 35 MET HG3 H 1 2.291 0.02 . 2 . . . . . 557 MET HG3 . 15618 1 431 . 1 1 35 35 MET C C 13 178.737 0.40 . 1 . . . . . 557 MET C . 15618 1 432 . 1 1 35 35 MET CA C 13 56.113 0.40 . 1 . . . . . 557 MET CA . 15618 1 433 . 1 1 35 35 MET CB C 13 29.490 0.40 . 1 . . . . . 557 MET CB . 15618 1 434 . 1 1 35 35 MET CE C 13 16.300 0.40 . 1 . . . . . 557 MET CE . 15618 1 435 . 1 1 35 35 MET CG C 13 31.616 0.40 . 1 . . . . . 557 MET CG . 15618 1 436 . 1 1 35 35 MET N N 15 118.017 0.40 . 1 . . . . . 557 MET N . 15618 1 437 . 1 1 36 36 ALA H H 1 8.410 0.02 . 1 . . . . . 558 ALA H . 15618 1 438 . 1 1 36 36 ALA HA H 1 4.084 0.02 . 1 . . . . . 558 ALA HA . 15618 1 439 . 1 1 36 36 ALA HB1 H 1 1.371 0.02 . 1 . . . . . 558 ALA QB . 15618 1 440 . 1 1 36 36 ALA HB2 H 1 1.371 0.02 . 1 . . . . . 558 ALA QB . 15618 1 441 . 1 1 36 36 ALA HB3 H 1 1.371 0.02 . 1 . . . . . 558 ALA QB . 15618 1 442 . 1 1 36 36 ALA C C 13 180.632 0.40 . 1 . . . . . 558 ALA C . 15618 1 443 . 1 1 36 36 ALA CA C 13 55.024 0.40 . 1 . . . . . 558 ALA CA . 15618 1 444 . 1 1 36 36 ALA CB C 13 17.698 0.40 . 1 . . . . . 558 ALA CB . 15618 1 445 . 1 1 36 36 ALA N N 15 121.592 0.40 . 1 . . . . . 558 ALA N . 15618 1 446 . 1 1 37 37 THR H H 1 7.294 0.02 . 1 . . . . . 559 THR H . 15618 1 447 . 1 1 37 37 THR HA H 1 3.858 0.02 . 1 . . . . . 559 THR HA . 15618 1 448 . 1 1 37 37 THR HB H 1 4.099 0.02 . 1 . . . . . 559 THR HB . 15618 1 449 . 1 1 37 37 THR HG21 H 1 1.122 0.02 . 1 . . . . . 559 THR QG2 . 15618 1 450 . 1 1 37 37 THR HG22 H 1 1.122 0.02 . 1 . . . . . 559 THR QG2 . 15618 1 451 . 1 1 37 37 THR HG23 H 1 1.122 0.02 . 1 . . . . . 559 THR QG2 . 15618 1 452 . 1 1 37 37 THR C C 13 176.419 0.40 . 1 . . . . . 559 THR C . 15618 1 453 . 1 1 37 37 THR CA C 13 66.590 0.40 . 1 . . . . . 559 THR CA . 15618 1 454 . 1 1 37 37 THR CB C 13 68.001 0.40 . 1 . . . . . 559 THR CB . 15618 1 455 . 1 1 37 37 THR CG2 C 13 21.361 0.40 . 1 . . . . . 559 THR CG2 . 15618 1 456 . 1 1 37 37 THR N N 15 115.835 0.40 . 1 . . . . . 559 THR N . 15618 1 457 . 1 1 38 38 ILE H H 1 8.109 0.02 . 1 . . . . . 560 ILE H . 15618 1 458 . 1 1 38 38 ILE HA H 1 3.698 0.02 . 1 . . . . . 560 ILE HA . 15618 1 459 . 1 1 38 38 ILE HB H 1 1.953 0.02 . 1 . . . . . 560 ILE HB . 15618 1 460 . 1 1 38 38 ILE HD11 H 1 0.799 0.02 . 1 . . . . . 560 ILE QD1 . 15618 1 461 . 1 1 38 38 ILE HD12 H 1 0.799 0.02 . 1 . . . . . 560 ILE QD1 . 15618 1 462 . 1 1 38 38 ILE HD13 H 1 0.799 0.02 . 1 . . . . . 560 ILE QD1 . 15618 1 463 . 1 1 38 38 ILE HG12 H 1 1.788 0.02 . 2 . . . . . 560 ILE HG12 . 15618 1 464 . 1 1 38 38 ILE HG13 H 1 1.292 0.02 . 2 . . . . . 560 ILE HG13 . 15618 1 465 . 1 1 38 38 ILE HG21 H 1 0.790 0.02 . 1 . . . . . 560 ILE QG2 . 15618 1 466 . 1 1 38 38 ILE HG22 H 1 0.790 0.02 . 1 . . . . . 560 ILE QG2 . 15618 1 467 . 1 1 38 38 ILE HG23 H 1 0.790 0.02 . 1 . . . . . 560 ILE QG2 . 15618 1 468 . 1 1 38 38 ILE C C 13 176.934 0.40 . 1 . . . . . 560 ILE C . 15618 1 469 . 1 1 38 38 ILE CA C 13 65.952 0.40 . 1 . . . . . 560 ILE CA . 15618 1 470 . 1 1 38 38 ILE CB C 13 38.252 0.40 . 1 . . . . . 560 ILE CB . 15618 1 471 . 1 1 38 38 ILE CD1 C 13 14.553 0.40 . 1 . . . . . 560 ILE CD1 . 15618 1 472 . 1 1 38 38 ILE CG1 C 13 29.844 0.40 . 1 . . . . . 560 ILE CG1 . 15618 1 473 . 1 1 38 38 ILE CG2 C 13 17.521 0.40 . 1 . . . . . 560 ILE CG2 . 15618 1 474 . 1 1 38 38 ILE N N 15 121.886 0.40 . 1 . . . . . 560 ILE N . 15618 1 475 . 1 1 39 39 GLN H H 1 8.425 0.02 . 1 . . . . . 561 GLN H . 15618 1 476 . 1 1 39 39 GLN HA H 1 3.809 0.02 . 1 . . . . . 561 GLN HA . 15618 1 477 . 1 1 39 39 GLN HB2 H 1 1.978 0.02 . 2 . . . . . 561 GLN QB . 15618 1 478 . 1 1 39 39 GLN HB3 H 1 1.978 0.02 . 2 . . . . . 561 GLN QB . 15618 1 479 . 1 1 39 39 GLN HE21 H 1 7.667 0.02 . 2 . . . . . 561 GLN HE21 . 15618 1 480 . 1 1 39 39 GLN HE22 H 1 6.794 0.02 . 2 . . . . . 561 GLN HE22 . 15618 1 481 . 1 1 39 39 GLN HG2 H 1 2.329 0.02 . 2 . . . . . 561 GLN HG2 . 15618 1 482 . 1 1 39 39 GLN HG3 H 1 2.040 0.02 . 2 . . . . . 561 GLN HG3 . 15618 1 483 . 1 1 39 39 GLN C C 13 177.126 0.40 . 1 . . . . . 561 GLN C . 15618 1 484 . 1 1 39 39 GLN CA C 13 58.751 0.40 . 1 . . . . . 561 GLN CA . 15618 1 485 . 1 1 39 39 GLN CB C 13 29.255 0.40 . 1 . . . . . 561 GLN CB . 15618 1 486 . 1 1 39 39 GLN CG C 13 35.737 0.40 . 1 . . . . . 561 GLN CG . 15618 1 487 . 1 1 39 39 GLN N N 15 116.211 0.40 . 1 . . . . . 561 GLN N . 15618 1 488 . 1 1 39 39 GLN NE2 N 15 112.380 0.40 . 1 . . . . . 561 GLN NE2 . 15618 1 489 . 1 1 40 40 ARG H H 1 7.334 0.02 . 1 . . . . . 562 ARG H . 15618 1 490 . 1 1 40 40 ARG HA H 1 4.092 0.02 . 1 . . . . . 562 ARG HA . 15618 1 491 . 1 1 40 40 ARG HB2 H 1 1.825 0.02 . 2 . . . . . 562 ARG QB . 15618 1 492 . 1 1 40 40 ARG HB3 H 1 1.825 0.02 . 2 . . . . . 562 ARG QB . 15618 1 493 . 1 1 40 40 ARG HD2 H 1 3.130 0.02 . 2 . . . . . 562 ARG QD . 15618 1 494 . 1 1 40 40 ARG HD3 H 1 3.130 0.02 . 2 . . . . . 562 ARG QD . 15618 1 495 . 1 1 40 40 ARG HG2 H 1 1.667 0.02 . 2 . . . . . 562 ARG HG2 . 15618 1 496 . 1 1 40 40 ARG HG3 H 1 1.549 0.02 . 2 . . . . . 562 ARG HG3 . 15618 1 497 . 1 1 40 40 ARG C C 13 177.186 0.40 . 1 . . . . . 562 ARG C . 15618 1 498 . 1 1 40 40 ARG CA C 13 57.837 0.40 . 1 . . . . . 562 ARG CA . 15618 1 499 . 1 1 40 40 ARG CB C 13 30.668 0.40 . 1 . . . . . 562 ARG CB . 15618 1 500 . 1 1 40 40 ARG CD C 13 43.176 0.40 . 1 . . . . . 562 ARG CD . 15618 1 501 . 1 1 40 40 ARG CG C 13 27.653 0.40 . 1 . . . . . 562 ARG CG . 15618 1 502 . 1 1 40 40 ARG N N 15 116.464 0.40 . 1 . . . . . 562 ARG N . 15618 1 503 . 1 1 41 41 LYS H H 1 7.802 0.02 . 1 . . . . . 563 LYS H . 15618 1 504 . 1 1 41 41 LYS HA H 1 3.926 0.02 . 1 . . . . . 563 LYS HA . 15618 1 505 . 1 1 41 41 LYS HB2 H 1 1.550 0.02 . 2 . . . . . 563 LYS HB2 . 15618 1 506 . 1 1 41 41 LYS HB3 H 1 1.340 0.02 . 2 . . . . . 563 LYS HB3 . 15618 1 507 . 1 1 41 41 LYS HD2 H 1 1.456 0.02 . 2 . . . . . 563 LYS HD2 . 15618 1 508 . 1 1 41 41 LYS HD3 H 1 1.367 0.02 . 2 . . . . . 563 LYS HD3 . 15618 1 509 . 1 1 41 41 LYS HE2 H 1 2.843 0.02 . 2 . . . . . 563 LYS QE . 15618 1 510 . 1 1 41 41 LYS HE3 H 1 2.843 0.02 . 2 . . . . . 563 LYS QE . 15618 1 511 . 1 1 41 41 LYS HG2 H 1 0.978 0.02 . 2 . . . . . 563 LYS HG2 . 15618 1 512 . 1 1 41 41 LYS HG3 H 1 0.647 0.02 . 2 . . . . . 563 LYS HG3 . 15618 1 513 . 1 1 41 41 LYS C C 13 176.735 0.40 . 1 . . . . . 563 LYS C . 15618 1 514 . 1 1 41 41 LYS CA C 13 57.866 0.40 . 1 . . . . . 563 LYS CA . 15618 1 515 . 1 1 41 41 LYS CB C 13 33.314 0.40 . 1 . . . . . 563 LYS CB . 15618 1 516 . 1 1 41 41 LYS CD C 13 28.634 0.40 . 1 . . . . . 563 LYS CD . 15618 1 517 . 1 1 41 41 LYS CE C 13 41.995 0.40 . 1 . . . . . 563 LYS CE . 15618 1 518 . 1 1 41 41 LYS CG C 13 24.731 0.40 . 1 . . . . . 563 LYS CG . 15618 1 519 . 1 1 41 41 LYS N N 15 118.658 0.40 . 1 . . . . . 563 LYS N . 15618 1 520 . 1 1 42 42 TYR H H 1 8.208 0.02 . 1 . . . . . 564 TYR H . 15618 1 521 . 1 1 42 42 TYR HA H 1 4.786 0.02 . 1 . . . . . 564 TYR HA . 15618 1 522 . 1 1 42 42 TYR HB2 H 1 3.105 0.02 . 2 . . . . . 564 TYR HB2 . 15618 1 523 . 1 1 42 42 TYR HB3 H 1 3.036 0.02 . 2 . . . . . 564 TYR HB3 . 15618 1 524 . 1 1 42 42 TYR HD1 H 1 7.445 0.02 . 3 . . . . . 564 TYR QD . 15618 1 525 . 1 1 42 42 TYR HD2 H 1 7.445 0.02 . 3 . . . . . 564 TYR QD . 15618 1 526 . 1 1 42 42 TYR HE1 H 1 6.793 0.02 . 3 . . . . . 564 TYR QE . 15618 1 527 . 1 1 42 42 TYR HE2 H 1 6.793 0.02 . 3 . . . . . 564 TYR QE . 15618 1 528 . 1 1 42 42 TYR C C 13 174.346 0.40 . 1 . . . . . 564 TYR C . 15618 1 529 . 1 1 42 42 TYR CA C 13 55.497 0.40 . 1 . . . . . 564 TYR CA . 15618 1 530 . 1 1 42 42 TYR CB C 13 36.075 0.40 . 1 . . . . . 564 TYR CB . 15618 1 531 . 1 1 42 42 TYR CD1 C 13 133.803 0.40 . 3 . . . . . 564 TYR CD1 . 15618 1 532 . 1 1 42 42 TYR CE1 C 13 117.227 0.40 . 3 . . . . . 564 TYR CE1 . 15618 1 533 . 1 1 42 42 TYR N N 15 121.157 0.40 . 1 . . . . . 564 TYR N . 15618 1 534 . 1 1 43 43 LYS H H 1 7.212 0.02 . 1 . . . . . 565 LYS H . 15618 1 535 . 1 1 43 43 LYS HA H 1 4.081 0.02 . 1 . . . . . 565 LYS HA . 15618 1 536 . 1 1 43 43 LYS HB2 H 1 1.714 0.02 . 2 . . . . . 565 LYS HB2 . 15618 1 537 . 1 1 43 43 LYS HB3 H 1 1.763 0.02 . 2 . . . . . 565 LYS HB3 . 15618 1 538 . 1 1 43 43 LYS HD2 H 1 1.771 0.02 . 2 . . . . . 565 LYS QD . 15618 1 539 . 1 1 43 43 LYS HD3 H 1 1.771 0.02 . 2 . . . . . 565 LYS QD . 15618 1 540 . 1 1 43 43 LYS HE2 H 1 2.974 0.02 . 2 . . . . . 565 LYS QE . 15618 1 541 . 1 1 43 43 LYS HE3 H 1 2.974 0.02 . 2 . . . . . 565 LYS QE . 15618 1 542 . 1 1 43 43 LYS HG2 H 1 1.452 0.02 . 2 . . . . . 565 LYS HG2 . 15618 1 543 . 1 1 43 43 LYS HG3 H 1 1.376 0.02 . 2 . . . . . 565 LYS HG3 . 15618 1 544 . 1 1 43 43 LYS C C 13 179.082 0.40 . 1 . . . . . 565 LYS C . 15618 1 545 . 1 1 43 43 LYS CA C 13 58.075 0.40 . 1 . . . . . 565 LYS CA . 15618 1 546 . 1 1 43 43 LYS CB C 13 32.157 0.40 . 1 . . . . . 565 LYS CB . 15618 1 547 . 1 1 43 43 LYS CD C 13 29.232 0.40 . 1 . . . . . 565 LYS CD . 15618 1 548 . 1 1 43 43 LYS CE C 13 42.087 0.40 . 1 . . . . . 565 LYS CE . 15618 1 549 . 1 1 43 43 LYS CG C 13 24.691 0.40 . 1 . . . . . 565 LYS CG . 15618 1 550 . 1 1 43 43 LYS N N 15 119.412 0.40 . 1 . . . . . 565 LYS N . 15618 1 551 . 1 1 44 44 GLY H H 1 9.179 0.02 . 1 . . . . . 566 GLY H . 15618 1 552 . 1 1 44 44 GLY HA2 H 1 3.607 0.02 . 2 . . . . . 566 GLY HA2 . 15618 1 553 . 1 1 44 44 GLY HA3 H 1 4.252 0.02 . 2 . . . . . 566 GLY HA3 . 15618 1 554 . 1 1 44 44 GLY C C 13 173.990 0.40 . 1 . . . . . 566 GLY C . 15618 1 555 . 1 1 44 44 GLY CA C 13 44.860 0.40 . 1 . . . . . 566 GLY CA . 15618 1 556 . 1 1 44 44 GLY N N 15 114.958 0.40 . 1 . . . . . 566 GLY N . 15618 1 557 . 1 1 45 45 ILE H H 1 7.604 0.02 . 1 . . . . . 567 ILE H . 15618 1 558 . 1 1 45 45 ILE HA H 1 2.533 0.02 . 1 . . . . . 567 ILE HA . 15618 1 559 . 1 1 45 45 ILE HB H 1 1.810 0.02 . 1 . . . . . 567 ILE HB . 15618 1 560 . 1 1 45 45 ILE HD11 H 1 0.748 0.02 . 1 . . . . . 567 ILE QD1 . 15618 1 561 . 1 1 45 45 ILE HD12 H 1 0.748 0.02 . 1 . . . . . 567 ILE QD1 . 15618 1 562 . 1 1 45 45 ILE HD13 H 1 0.748 0.02 . 1 . . . . . 567 ILE QD1 . 15618 1 563 . 1 1 45 45 ILE HG12 H 1 1.098 0.02 . 2 . . . . . 567 ILE HG12 . 15618 1 564 . 1 1 45 45 ILE HG13 H 1 0.680 0.02 . 2 . . . . . 567 ILE HG13 . 15618 1 565 . 1 1 45 45 ILE HG21 H 1 0.900 0.02 . 1 . . . . . 567 ILE QG2 . 15618 1 566 . 1 1 45 45 ILE HG22 H 1 0.900 0.02 . 1 . . . . . 567 ILE QG2 . 15618 1 567 . 1 1 45 45 ILE HG23 H 1 0.900 0.02 . 1 . . . . . 567 ILE QG2 . 15618 1 568 . 1 1 45 45 ILE C C 13 172.893 0.40 . 1 . . . . . 567 ILE C . 15618 1 569 . 1 1 45 45 ILE CA C 13 61.754 0.40 . 1 . . . . . 567 ILE CA . 15618 1 570 . 1 1 45 45 ILE CB C 13 38.302 0.40 . 1 . . . . . 567 ILE CB . 15618 1 571 . 1 1 45 45 ILE CD1 C 13 15.267 0.40 . 1 . . . . . 567 ILE CD1 . 15618 1 572 . 1 1 45 45 ILE CG1 C 13 29.092 0.40 . 1 . . . . . 567 ILE CG1 . 15618 1 573 . 1 1 45 45 ILE CG2 C 13 15.083 0.40 . 1 . . . . . 567 ILE CG2 . 15618 1 574 . 1 1 45 45 ILE N N 15 122.496 0.40 . 1 . . . . . 567 ILE N . 15618 1 575 . 1 1 46 46 LYS H H 1 7.733 0.02 . 1 . . . . . 568 LYS H . 15618 1 576 . 1 1 46 46 LYS HA H 1 4.307 0.02 . 1 . . . . . 568 LYS HA . 15618 1 577 . 1 1 46 46 LYS HB2 H 1 1.598 0.02 . 2 . . . . . 568 LYS HB2 . 15618 1 578 . 1 1 46 46 LYS HB3 H 1 1.513 0.02 . 2 . . . . . 568 LYS HB3 . 15618 1 579 . 1 1 46 46 LYS HD2 H 1 1.531 0.02 . 2 . . . . . 568 LYS QD . 15618 1 580 . 1 1 46 46 LYS HD3 H 1 1.531 0.02 . 2 . . . . . 568 LYS QD . 15618 1 581 . 1 1 46 46 LYS HE2 H 1 2.865 0.02 . 2 . . . . . 568 LYS QE . 15618 1 582 . 1 1 46 46 LYS HE3 H 1 2.865 0.02 . 2 . . . . . 568 LYS QE . 15618 1 583 . 1 1 46 46 LYS HG2 H 1 1.071 0.02 . 2 . . . . . 568 LYS QG . 15618 1 584 . 1 1 46 46 LYS HG3 H 1 1.071 0.02 . 2 . . . . . 568 LYS QG . 15618 1 585 . 1 1 46 46 LYS C C 13 174.772 0.40 . 1 . . . . . 568 LYS C . 15618 1 586 . 1 1 46 46 LYS CA C 13 54.069 0.40 . 1 . . . . . 568 LYS CA . 15618 1 587 . 1 1 46 46 LYS CB C 13 31.741 0.40 . 1 . . . . . 568 LYS CB . 15618 1 588 . 1 1 46 46 LYS CD C 13 28.763 0.40 . 1 . . . . . 568 LYS CD . 15618 1 589 . 1 1 46 46 LYS CE C 13 42.182 0.40 . 1 . . . . . 568 LYS CE . 15618 1 590 . 1 1 46 46 LYS CG C 13 24.800 0.40 . 1 . . . . . 568 LYS CG . 15618 1 591 . 1 1 46 46 LYS N N 15 128.712 0.40 . 1 . . . . . 568 LYS N . 15618 1 592 . 1 1 47 47 ILE H H 1 8.081 0.02 . 1 . . . . . 569 ILE H . 15618 1 593 . 1 1 47 47 ILE HA H 1 3.166 0.02 . 1 . . . . . 569 ILE HA . 15618 1 594 . 1 1 47 47 ILE HB H 1 1.314 0.02 . 1 . . . . . 569 ILE HB . 15618 1 595 . 1 1 47 47 ILE HD11 H 1 0.243 0.02 . 1 . . . . . 569 ILE QD1 . 15618 1 596 . 1 1 47 47 ILE HD12 H 1 0.243 0.02 . 1 . . . . . 569 ILE QD1 . 15618 1 597 . 1 1 47 47 ILE HD13 H 1 0.243 0.02 . 1 . . . . . 569 ILE QD1 . 15618 1 598 . 1 1 47 47 ILE HG12 H 1 1.014 0.02 . 2 . . . . . 569 ILE HG12 . 15618 1 599 . 1 1 47 47 ILE HG13 H 1 0.622 0.02 . 2 . . . . . 569 ILE HG13 . 15618 1 600 . 1 1 47 47 ILE HG21 H 1 -0.217 0.02 . 1 . . . . . 569 ILE QG2 . 15618 1 601 . 1 1 47 47 ILE HG22 H 1 -0.217 0.02 . 1 . . . . . 569 ILE QG2 . 15618 1 602 . 1 1 47 47 ILE HG23 H 1 -0.217 0.02 . 1 . . . . . 569 ILE QG2 . 15618 1 603 . 1 1 47 47 ILE CA C 13 61.564 0.40 . 1 . . . . . 569 ILE CA . 15618 1 604 . 1 1 47 47 ILE CB C 13 36.718 0.40 . 1 . . . . . 569 ILE CB . 15618 1 605 . 1 1 47 47 ILE CD1 C 13 12.538 0.40 . 1 . . . . . 569 ILE CD1 . 15618 1 606 . 1 1 47 47 ILE CG1 C 13 26.804 0.40 . 1 . . . . . 569 ILE CG1 . 15618 1 607 . 1 1 47 47 ILE CG2 C 13 16.747 0.40 . 1 . . . . . 569 ILE CG2 . 15618 1 608 . 1 1 47 47 ILE N N 15 124.424 0.40 . 1 . . . . . 569 ILE N . 15618 1 609 . 1 1 48 48 GLN H H 1 6.700 0.02 . 1 . . . . . 570 GLN H . 15618 1 610 . 1 1 48 48 GLN HA H 1 4.205 0.02 . 1 . . . . . 570 GLN HA . 15618 1 611 . 1 1 48 48 GLN HB2 H 1 2.022 0.02 . 2 . . . . . 570 GLN HB2 . 15618 1 612 . 1 1 48 48 GLN HB3 H 1 1.765 0.02 . 2 . . . . . 570 GLN HB3 . 15618 1 613 . 1 1 48 48 GLN HE21 H 1 6.908 0.02 . 2 . . . . . 570 GLN HE21 . 15618 1 614 . 1 1 48 48 GLN HE22 H 1 6.719 0.02 . 2 . . . . . 570 GLN HE22 . 15618 1 615 . 1 1 48 48 GLN HG2 H 1 2.009 0.02 . 2 . . . . . 570 GLN HG2 . 15618 1 616 . 1 1 48 48 GLN HG3 H 1 1.958 0.02 . 2 . . . . . 570 GLN HG3 . 15618 1 617 . 1 1 48 48 GLN CA C 13 53.129 0.40 . 1 . . . . . 570 GLN CA . 15618 1 618 . 1 1 48 48 GLN CB C 13 31.211 0.40 . 1 . . . . . 570 GLN CB . 15618 1 619 . 1 1 48 48 GLN CG C 13 31.978 0.40 . 1 . . . . . 570 GLN CG . 15618 1 620 . 1 1 48 48 GLN N N 15 122.748 0.40 . 1 . . . . . 570 GLN N . 15618 1 621 . 1 1 48 48 GLN NE2 N 15 110.501 0.40 . 1 . . . . . 570 GLN NE2 . 15618 1 622 . 1 1 49 49 GLU H H 1 8.218 0.02 . 1 . . . . . 571 GLU H . 15618 1 623 . 1 1 49 49 GLU HA H 1 3.727 0.02 . 1 . . . . . 571 GLU HA . 15618 1 624 . 1 1 49 49 GLU HB2 H 1 1.978 0.02 . 2 . . . . . 571 GLU HB2 . 15618 1 625 . 1 1 49 49 GLU HB3 H 1 1.745 0.02 . 2 . . . . . 571 GLU HB3 . 15618 1 626 . 1 1 49 49 GLU HG2 H 1 2.137 0.02 . 2 . . . . . 571 GLU QG . 15618 1 627 . 1 1 49 49 GLU HG3 H 1 2.137 0.02 . 2 . . . . . 571 GLU QG . 15618 1 628 . 1 1 49 49 GLU CA C 13 57.976 0.40 . 1 . . . . . 571 GLU CA . 15618 1 629 . 1 1 49 49 GLU CB C 13 30.954 0.40 . 1 . . . . . 571 GLU CB . 15618 1 630 . 1 1 49 49 GLU CG C 13 38.165 0.40 . 1 . . . . . 571 GLU CG . 15618 1 631 . 1 1 49 49 GLU N N 15 116.531 0.40 . 1 . . . . . 571 GLU N . 15618 1 632 . 1 1 50 50 GLY H H 1 8.967 0.02 . 1 . . . . . 572 GLY H . 15618 1 633 . 1 1 50 50 GLY HA2 H 1 2.810 0.02 . 2 . . . . . 572 GLY HA2 . 15618 1 634 . 1 1 50 50 GLY HA3 H 1 4.198 0.02 . 2 . . . . . 572 GLY HA3 . 15618 1 635 . 1 1 50 50 GLY CA C 13 43.607 0.40 . 1 . . . . . 572 GLY CA . 15618 1 636 . 1 1 50 50 GLY N N 15 111.469 0.40 . 1 . . . . . 572 GLY N . 15618 1 637 . 1 1 51 51 ILE H H 1 8.410 0.02 . 1 . . . . . 573 ILE H . 15618 1 638 . 1 1 51 51 ILE HA H 1 4.916 0.02 . 1 . . . . . 573 ILE HA . 15618 1 639 . 1 1 51 51 ILE HB H 1 1.776 0.02 . 1 . . . . . 573 ILE HB . 15618 1 640 . 1 1 51 51 ILE HD11 H 1 0.942 0.02 . 1 . . . . . 573 ILE QD1 . 15618 1 641 . 1 1 51 51 ILE HD12 H 1 0.942 0.02 . 1 . . . . . 573 ILE QD1 . 15618 1 642 . 1 1 51 51 ILE HD13 H 1 0.942 0.02 . 1 . . . . . 573 ILE QD1 . 15618 1 643 . 1 1 51 51 ILE HG12 H 1 1.837 0.02 . 2 . . . . . 573 ILE HG12 . 15618 1 644 . 1 1 51 51 ILE HG13 H 1 1.188 0.02 . 2 . . . . . 573 ILE HG13 . 15618 1 645 . 1 1 51 51 ILE HG21 H 1 0.773 0.02 . 1 . . . . . 573 ILE QG2 . 15618 1 646 . 1 1 51 51 ILE HG22 H 1 0.773 0.02 . 1 . . . . . 573 ILE QG2 . 15618 1 647 . 1 1 51 51 ILE HG23 H 1 0.773 0.02 . 1 . . . . . 573 ILE QG2 . 15618 1 648 . 1 1 51 51 ILE CA C 13 61.137 0.40 . 1 . . . . . 573 ILE CA . 15618 1 649 . 1 1 51 51 ILE CB C 13 38.165 0.40 . 1 . . . . . 573 ILE CB . 15618 1 650 . 1 1 51 51 ILE CD1 C 13 13.344 0.40 . 1 . . . . . 573 ILE CD1 . 15618 1 651 . 1 1 51 51 ILE CG1 C 13 28.608 0.40 . 1 . . . . . 573 ILE CG1 . 15618 1 652 . 1 1 51 51 ILE CG2 C 13 16.273 0.40 . 1 . . . . . 573 ILE CG2 . 15618 1 653 . 1 1 51 51 ILE N N 15 120.591 0.40 . 1 . . . . . 573 ILE N . 15618 1 654 . 1 1 52 52 VAL H H 1 8.900 0.02 . 1 . . . . . 574 VAL H . 15618 1 655 . 1 1 52 52 VAL HA H 1 4.073 0.02 . 1 . . . . . 574 VAL HA . 15618 1 656 . 1 1 52 52 VAL HB H 1 2.220 0.02 . 1 . . . . . 574 VAL HB . 15618 1 657 . 1 1 52 52 VAL HG11 H 1 1.176 0.02 . 2 . . . . . 574 VAL QG1 . 15618 1 658 . 1 1 52 52 VAL HG12 H 1 1.176 0.02 . 2 . . . . . 574 VAL QG1 . 15618 1 659 . 1 1 52 52 VAL HG13 H 1 1.176 0.02 . 2 . . . . . 574 VAL QG1 . 15618 1 660 . 1 1 52 52 VAL HG21 H 1 1.063 0.02 . 2 . . . . . 574 VAL QG2 . 15618 1 661 . 1 1 52 52 VAL HG22 H 1 1.063 0.02 . 2 . . . . . 574 VAL QG2 . 15618 1 662 . 1 1 52 52 VAL HG23 H 1 1.063 0.02 . 2 . . . . . 574 VAL QG2 . 15618 1 663 . 1 1 52 52 VAL CA C 13 62.516 0.40 . 1 . . . . . 574 VAL CA . 15618 1 664 . 1 1 52 52 VAL CB C 13 35.957 0.40 . 1 . . . . . 574 VAL CB . 15618 1 665 . 1 1 52 52 VAL CG1 C 13 22.831 0.40 . 2 . . . . . 574 VAL CG1 . 15618 1 666 . 1 1 52 52 VAL CG2 C 13 20.955 0.40 . 2 . . . . . 574 VAL CG2 . 15618 1 667 . 1 1 52 52 VAL N N 15 131.435 0.40 . 1 . . . . . 574 VAL N . 15618 1 668 . 1 1 53 53 ASP H H 1 8.731 0.02 . 1 . . . . . 575 ASP H . 15618 1 669 . 1 1 53 53 ASP HA H 1 4.953 0.02 . 1 . . . . . 575 ASP HA . 15618 1 670 . 1 1 53 53 ASP HB2 H 1 2.999 0.02 . 2 . . . . . 575 ASP HB2 . 15618 1 671 . 1 1 53 53 ASP HB3 H 1 2.117 0.02 . 2 . . . . . 575 ASP HB3 . 15618 1 672 . 1 1 53 53 ASP CA C 13 52.137 0.40 . 1 . . . . . 575 ASP CA . 15618 1 673 . 1 1 53 53 ASP CB C 13 40.659 0.40 . 1 . . . . . 575 ASP CB . 15618 1 674 . 1 1 53 53 ASP N N 15 126.463 0.40 . 1 . . . . . 575 ASP N . 15618 1 675 . 1 1 54 54 TYR H H 1 8.639 0.02 . 1 . . . . . 576 TYR H . 15618 1 676 . 1 1 54 54 TYR HA H 1 4.407 0.02 . 1 . . . . . 576 TYR HA . 15618 1 677 . 1 1 54 54 TYR HB2 H 1 3.223 0.02 . 2 . . . . . 576 TYR HB2 . 15618 1 678 . 1 1 54 54 TYR HB3 H 1 2.595 0.02 . 2 . . . . . 576 TYR HB3 . 15618 1 679 . 1 1 54 54 TYR HD1 H 1 7.200 0.02 . 3 . . . . . 576 TYR QD . 15618 1 680 . 1 1 54 54 TYR HD2 H 1 7.200 0.02 . 3 . . . . . 576 TYR QD . 15618 1 681 . 1 1 54 54 TYR HE1 H 1 6.634 0.02 . 3 . . . . . 576 TYR QE . 15618 1 682 . 1 1 54 54 TYR HE2 H 1 6.634 0.02 . 3 . . . . . 576 TYR QE . 15618 1 683 . 1 1 54 54 TYR CA C 13 57.833 0.40 . 1 . . . . . 576 TYR CA . 15618 1 684 . 1 1 54 54 TYR CB C 13 38.634 0.40 . 1 . . . . . 576 TYR CB . 15618 1 685 . 1 1 54 54 TYR CD1 C 13 133.302 0.40 . 3 . . . . . 576 TYR CD1 . 15618 1 686 . 1 1 54 54 TYR CE1 C 13 117.860 0.40 . 3 . . . . . 576 TYR CE1 . 15618 1 687 . 1 1 54 54 TYR N N 15 131.097 0.40 . 1 . . . . . 576 TYR N . 15618 1 688 . 1 1 55 55 GLY H H 1 8.388 0.02 . 1 . . . . . 577 GLY H . 15618 1 689 . 1 1 55 55 GLY HA2 H 1 3.056 0.02 . 2 . . . . . 577 GLY HA2 . 15618 1 690 . 1 1 55 55 GLY HA3 H 1 4.307 0.02 . 2 . . . . . 577 GLY HA3 . 15618 1 691 . 1 1 55 55 GLY CA C 13 46.347 0.40 . 1 . . . . . 577 GLY CA . 15618 1 692 . 1 1 55 55 GLY N N 15 115.719 0.40 . 1 . . . . . 577 GLY N . 15618 1 693 . 1 1 56 56 VAL H H 1 7.143 0.02 . 1 . . . . . 578 VAL H . 15618 1 694 . 1 1 56 56 VAL HA H 1 3.410 0.02 . 1 . . . . . 578 VAL HA . 15618 1 695 . 1 1 56 56 VAL HB H 1 0.613 0.02 . 1 . . . . . 578 VAL HB . 15618 1 696 . 1 1 56 56 VAL HG11 H 1 0.521 0.02 . 2 . . . . . 578 VAL QG1 . 15618 1 697 . 1 1 56 56 VAL HG12 H 1 0.521 0.02 . 2 . . . . . 578 VAL QG1 . 15618 1 698 . 1 1 56 56 VAL HG13 H 1 0.521 0.02 . 2 . . . . . 578 VAL QG1 . 15618 1 699 . 1 1 56 56 VAL HG21 H 1 -0.186 0.02 . 2 . . . . . 578 VAL QG2 . 15618 1 700 . 1 1 56 56 VAL HG22 H 1 -0.186 0.02 . 2 . . . . . 578 VAL QG2 . 15618 1 701 . 1 1 56 56 VAL HG23 H 1 -0.186 0.02 . 2 . . . . . 578 VAL QG2 . 15618 1 702 . 1 1 56 56 VAL CA C 13 60.335 0.40 . 1 . . . . . 578 VAL CA . 15618 1 703 . 1 1 56 56 VAL CB C 13 35.027 0.40 . 1 . . . . . 578 VAL CB . 15618 1 704 . 1 1 56 56 VAL CG1 C 13 24.210 0.40 . 2 . . . . . 578 VAL CG1 . 15618 1 705 . 1 1 56 56 VAL CG2 C 13 21.435 0.40 . 2 . . . . . 578 VAL CG2 . 15618 1 706 . 1 1 56 56 VAL N N 15 124.853 0.40 . 1 . . . . . 578 VAL N . 15618 1 707 . 1 1 57 57 ARG H H 1 8.091 0.02 . 1 . . . . . 579 ARG H . 15618 1 708 . 1 1 57 57 ARG HA H 1 4.292 0.02 . 1 . . . . . 579 ARG HA . 15618 1 709 . 1 1 57 57 ARG HB2 H 1 1.377 0.02 . 2 . . . . . 579 ARG HB2 . 15618 1 710 . 1 1 57 57 ARG HB3 H 1 1.265 0.02 . 2 . . . . . 579 ARG HB3 . 15618 1 711 . 1 1 57 57 ARG HD2 H 1 3.052 0.02 . 2 . . . . . 579 ARG HD2 . 15618 1 712 . 1 1 57 57 ARG HD3 H 1 2.830 0.02 . 2 . . . . . 579 ARG HD3 . 15618 1 713 . 1 1 57 57 ARG HG2 H 1 1.280 0.02 . 2 . . . . . 579 ARG HG2 . 15618 1 714 . 1 1 57 57 ARG HG3 H 1 1.106 0.02 . 2 . . . . . 579 ARG HG3 . 15618 1 715 . 1 1 57 57 ARG CA C 13 55.039 0.40 . 1 . . . . . 579 ARG CA . 15618 1 716 . 1 1 57 57 ARG CB C 13 29.224 0.40 . 1 . . . . . 579 ARG CB . 15618 1 717 . 1 1 57 57 ARG CD C 13 43.153 0.40 . 1 . . . . . 579 ARG CD . 15618 1 718 . 1 1 57 57 ARG CG C 13 28.214 0.40 . 1 . . . . . 579 ARG CG . 15618 1 719 . 1 1 57 57 ARG N N 15 124.754 0.40 . 1 . . . . . 579 ARG N . 15618 1 720 . 1 1 58 58 PHE H H 1 8.499 0.02 . 1 . . . . . 580 PHE H . 15618 1 721 . 1 1 58 58 PHE HA H 1 4.647 0.02 . 1 . . . . . 580 PHE HA . 15618 1 722 . 1 1 58 58 PHE HB2 H 1 2.347 0.02 . 2 . . . . . 580 PHE HB2 . 15618 1 723 . 1 1 58 58 PHE HB3 H 1 1.464 0.02 . 2 . . . . . 580 PHE HB3 . 15618 1 724 . 1 1 58 58 PHE HD1 H 1 7.026 0.02 . 3 . . . . . 580 PHE QD . 15618 1 725 . 1 1 58 58 PHE HD2 H 1 7.026 0.02 . 3 . . . . . 580 PHE QD . 15618 1 726 . 1 1 58 58 PHE HE1 H 1 6.947 0.02 . 3 . . . . . 580 PHE QE . 15618 1 727 . 1 1 58 58 PHE HE2 H 1 6.947 0.02 . 3 . . . . . 580 PHE QE . 15618 1 728 . 1 1 58 58 PHE HZ H 1 6.736 0.02 . 1 . . . . . 580 PHE HZ . 15618 1 729 . 1 1 58 58 PHE CA C 13 57.563 0.40 . 1 . . . . . 580 PHE CA . 15618 1 730 . 1 1 58 58 PHE CB C 13 42.026 0.40 . 1 . . . . . 580 PHE CB . 15618 1 731 . 1 1 58 58 PHE CD1 C 13 132.574 0.40 . 3 . . . . . 580 PHE CD1 . 15618 1 732 . 1 1 58 58 PHE CE1 C 13 131.035 0.40 . 3 . . . . . 580 PHE CE1 . 15618 1 733 . 1 1 58 58 PHE CZ C 13 128.803 0.40 . 1 . . . . . 580 PHE CZ . 15618 1 734 . 1 1 58 58 PHE N N 15 124.105 0.40 . 1 . . . . . 580 PHE N . 15618 1 735 . 1 1 59 59 PHE H H 1 7.683 0.02 . 1 . . . . . 581 PHE H . 15618 1 736 . 1 1 59 59 PHE HA H 1 4.689 0.02 . 1 . . . . . 581 PHE HA . 15618 1 737 . 1 1 59 59 PHE HB2 H 1 2.668 0.02 . 2 . . . . . 581 PHE HB2 . 15618 1 738 . 1 1 59 59 PHE HB3 H 1 2.483 0.02 . 2 . . . . . 581 PHE HB3 . 15618 1 739 . 1 1 59 59 PHE HD1 H 1 7.011 0.02 . 3 . . . . . 581 PHE QD . 15618 1 740 . 1 1 59 59 PHE HD2 H 1 7.011 0.02 . 3 . . . . . 581 PHE QD . 15618 1 741 . 1 1 59 59 PHE HE1 H 1 7.236 0.02 . 3 . . . . . 581 PHE QE . 15618 1 742 . 1 1 59 59 PHE HE2 H 1 7.236 0.02 . 3 . . . . . 581 PHE QE . 15618 1 743 . 1 1 59 59 PHE CA C 13 56.662 0.40 . 1 . . . . . 581 PHE CA . 15618 1 744 . 1 1 59 59 PHE CB C 13 41.024 0.40 . 1 . . . . . 581 PHE CB . 15618 1 745 . 1 1 59 59 PHE CD1 C 13 131.304 0.40 . 3 . . . . . 581 PHE CD1 . 15618 1 746 . 1 1 59 59 PHE CE1 C 13 131.074 0.40 . 3 . . . . . 581 PHE CE1 . 15618 1 747 . 1 1 59 59 PHE N N 15 119.707 0.40 . 1 . . . . . 581 PHE N . 15618 1 748 . 1 1 60 60 PHE H H 1 8.898 0.02 . 1 . . . . . 582 PHE H . 15618 1 749 . 1 1 60 60 PHE HA H 1 5.563 0.02 . 1 . . . . . 582 PHE HA . 15618 1 750 . 1 1 60 60 PHE HB2 H 1 3.484 0.02 . 2 . . . . . 582 PHE HB2 . 15618 1 751 . 1 1 60 60 PHE HB3 H 1 2.883 0.02 . 2 . . . . . 582 PHE HB3 . 15618 1 752 . 1 1 60 60 PHE HD1 H 1 7.341 0.02 . 3 . . . . . 582 PHE QD . 15618 1 753 . 1 1 60 60 PHE HD2 H 1 7.341 0.02 . 3 . . . . . 582 PHE QD . 15618 1 754 . 1 1 60 60 PHE HE1 H 1 6.697 0.02 . 3 . . . . . 582 PHE QE . 15618 1 755 . 1 1 60 60 PHE HE2 H 1 6.697 0.02 . 3 . . . . . 582 PHE QE . 15618 1 756 . 1 1 60 60 PHE HZ H 1 5.983 0.02 . 1 . . . . . 582 PHE HZ . 15618 1 757 . 1 1 60 60 PHE CA C 13 57.615 0.40 . 1 . . . . . 582 PHE CA . 15618 1 758 . 1 1 60 60 PHE CB C 13 39.539 0.40 . 1 . . . . . 582 PHE CB . 15618 1 759 . 1 1 60 60 PHE CD1 C 13 131.832 0.40 . 3 . . . . . 582 PHE CD1 . 15618 1 760 . 1 1 60 60 PHE CE1 C 13 130.173 0.40 . 3 . . . . . 582 PHE CE1 . 15618 1 761 . 1 1 60 60 PHE CZ C 13 129.013 0.40 . 1 . . . . . 582 PHE CZ . 15618 1 762 . 1 1 60 60 PHE N N 15 127.157 0.40 . 1 . . . . . 582 PHE N . 15618 1 763 . 1 1 61 61 TYR H H 1 8.441 0.02 . 1 . . . . . 583 TYR H . 15618 1 764 . 1 1 61 61 TYR HA H 1 5.301 0.02 . 1 . . . . . 583 TYR HA . 15618 1 765 . 1 1 61 61 TYR HB2 H 1 3.247 0.02 . 2 . . . . . 583 TYR HB2 . 15618 1 766 . 1 1 61 61 TYR HB3 H 1 2.814 0.02 . 2 . . . . . 583 TYR HB3 . 15618 1 767 . 1 1 61 61 TYR HD1 H 1 7.292 0.02 . 3 . . . . . 583 TYR QD . 15618 1 768 . 1 1 61 61 TYR HD2 H 1 7.292 0.02 . 3 . . . . . 583 TYR QD . 15618 1 769 . 1 1 61 61 TYR HE1 H 1 6.468 0.02 . 3 . . . . . 583 TYR QE . 15618 1 770 . 1 1 61 61 TYR HE2 H 1 6.468 0.02 . 3 . . . . . 583 TYR QE . 15618 1 771 . 1 1 61 61 TYR CA C 13 54.556 0.40 . 1 . . . . . 583 TYR CA . 15618 1 772 . 1 1 61 61 TYR CB C 13 41.444 0.40 . 1 . . . . . 583 TYR CB . 15618 1 773 . 1 1 61 61 TYR CD1 C 13 135.064 0.40 . 3 . . . . . 583 TYR CD1 . 15618 1 774 . 1 1 61 61 TYR CE1 C 13 116.337 0.40 . 3 . . . . . 583 TYR CE1 . 15618 1 775 . 1 1 61 61 TYR N N 15 119.072 0.40 . 1 . . . . . 583 TYR N . 15618 1 776 . 1 1 62 62 THR H H 1 9.444 0.02 . 1 . . . . . 584 THR H . 15618 1 777 . 1 1 62 62 THR HA H 1 4.680 0.02 . 1 . . . . . 584 THR HA . 15618 1 778 . 1 1 62 62 THR HB H 1 4.607 0.02 . 1 . . . . . 584 THR HB . 15618 1 779 . 1 1 62 62 THR HG21 H 1 1.187 0.02 . 1 . . . . . 584 THR QG2 . 15618 1 780 . 1 1 62 62 THR HG22 H 1 1.187 0.02 . 1 . . . . . 584 THR QG2 . 15618 1 781 . 1 1 62 62 THR HG23 H 1 1.187 0.02 . 1 . . . . . 584 THR QG2 . 15618 1 782 . 1 1 62 62 THR CA C 13 59.784 0.40 . 1 . . . . . 584 THR CA . 15618 1 783 . 1 1 62 62 THR CB C 13 71.274 0.40 . 1 . . . . . 584 THR CB . 15618 1 784 . 1 1 62 62 THR CG2 C 13 21.434 0.40 . 1 . . . . . 584 THR CG2 . 15618 1 785 . 1 1 62 62 THR N N 15 113.469 0.40 . 1 . . . . . 584 THR N . 15618 1 786 . 1 1 63 63 SER H H 1 9.092 0.02 . 1 . . . . . 585 SER H . 15618 1 787 . 1 1 63 63 SER HA H 1 4.685 0.02 . 1 . . . . . 585 SER HA . 15618 1 788 . 1 1 63 63 SER HB2 H 1 3.597 0.02 . 2 . . . . . 585 SER HB2 . 15618 1 789 . 1 1 63 63 SER HB3 H 1 3.388 0.02 . 2 . . . . . 585 SER HB3 . 15618 1 790 . 1 1 63 63 SER CA C 13 59.665 0.40 . 1 . . . . . 585 SER CA . 15618 1 791 . 1 1 63 63 SER CB C 13 62.835 0.40 . 1 . . . . . 585 SER CB . 15618 1 792 . 1 1 63 63 SER N N 15 114.155 0.40 . 1 . . . . . 585 SER N . 15618 1 793 . 1 1 64 64 LYS H H 1 7.484 0.02 . 1 . . . . . 586 LYS H . 15618 1 794 . 1 1 64 64 LYS HA H 1 4.074 0.02 . 1 . . . . . 586 LYS HA . 15618 1 795 . 1 1 64 64 LYS HB2 H 1 1.780 0.02 . 2 . . . . . 586 LYS HB2 . 15618 1 796 . 1 1 64 64 LYS HB3 H 1 1.588 0.02 . 2 . . . . . 586 LYS HB3 . 15618 1 797 . 1 1 64 64 LYS HD2 H 1 1.532 0.02 . 2 . . . . . 586 LYS QD . 15618 1 798 . 1 1 64 64 LYS HD3 H 1 1.532 0.02 . 2 . . . . . 586 LYS QD . 15618 1 799 . 1 1 64 64 LYS HE2 H 1 2.869 0.02 . 2 . . . . . 586 LYS QE . 15618 1 800 . 1 1 64 64 LYS HE3 H 1 2.869 0.02 . 2 . . . . . 586 LYS QE . 15618 1 801 . 1 1 64 64 LYS HG2 H 1 1.351 0.02 . 2 . . . . . 586 LYS HG2 . 15618 1 802 . 1 1 64 64 LYS HG3 H 1 1.316 0.02 . 2 . . . . . 586 LYS HG3 . 15618 1 803 . 1 1 64 64 LYS CA C 13 55.960 0.40 . 1 . . . . . 586 LYS CA . 15618 1 804 . 1 1 64 64 LYS CB C 13 32.662 0.40 . 1 . . . . . 586 LYS CB . 15618 1 805 . 1 1 64 64 LYS CD C 13 28.658 0.40 . 1 . . . . . 586 LYS CD . 15618 1 806 . 1 1 64 64 LYS CE C 13 41.939 0.40 . 1 . . . . . 586 LYS CE . 15618 1 807 . 1 1 64 64 LYS CG C 13 24.745 0.40 . 1 . . . . . 586 LYS CG . 15618 1 808 . 1 1 64 64 LYS N N 15 118.230 0.40 . 1 . . . . . 586 LYS N . 15618 1 809 . 1 1 65 65 GLU H H 1 7.194 0.02 . 1 . . . . . 587 GLU H . 15618 1 810 . 1 1 65 65 GLU HA H 1 4.584 0.02 . 1 . . . . . 587 GLU HA . 15618 1 811 . 1 1 65 65 GLU HB2 H 1 2.055 0.02 . 2 . . . . . 587 GLU QB . 15618 1 812 . 1 1 65 65 GLU HB3 H 1 2.055 0.02 . 2 . . . . . 587 GLU QB . 15618 1 813 . 1 1 65 65 GLU HG2 H 1 2.470 0.02 . 2 . . . . . 587 GLU HG2 . 15618 1 814 . 1 1 65 65 GLU HG3 H 1 2.336 0.02 . 2 . . . . . 587 GLU HG3 . 15618 1 815 . 1 1 65 65 GLU CA C 13 53.443 0.40 . 1 . . . . . 587 GLU CA . 15618 1 816 . 1 1 65 65 GLU CB C 13 30.381 0.40 . 1 . . . . . 587 GLU CB . 15618 1 817 . 1 1 65 65 GLU CG C 13 35.809 0.40 . 1 . . . . . 587 GLU CG . 15618 1 818 . 1 1 65 65 GLU N N 15 124.837 0.40 . 1 . . . . . 587 GLU N . 15618 1 819 . 1 1 66 66 PRO HA H 1 4.506 0.02 . 1 . . . . . 588 PRO HA . 15618 1 820 . 1 1 66 66 PRO HB2 H 1 2.474 0.02 . 2 . . . . . 588 PRO HB2 . 15618 1 821 . 1 1 66 66 PRO HB3 H 1 1.836 0.02 . 2 . . . . . 588 PRO HB3 . 15618 1 822 . 1 1 66 66 PRO HD2 H 1 4.122 0.02 . 2 . . . . . 588 PRO HD2 . 15618 1 823 . 1 1 66 66 PRO HD3 H 1 3.628 0.02 . 2 . . . . . 588 PRO HD3 . 15618 1 824 . 1 1 66 66 PRO HG2 H 1 2.036 0.02 . 2 . . . . . 588 PRO HG2 . 15618 1 825 . 1 1 66 66 PRO HG3 H 1 2.132 0.02 . 2 . . . . . 588 PRO HG3 . 15618 1 826 . 1 1 66 66 PRO CA C 13 62.620 0.40 . 1 . . . . . 588 PRO CA . 15618 1 827 . 1 1 66 66 PRO CB C 13 32.368 0.40 . 1 . . . . . 588 PRO CB . 15618 1 828 . 1 1 66 66 PRO CD C 13 50.795 0.40 . 1 . . . . . 588 PRO CD . 15618 1 829 . 1 1 66 66 PRO CG C 13 27.855 0.40 . 1 . . . . . 588 PRO CG . 15618 1 830 . 1 1 67 67 VAL H H 1 8.545 0.02 . 1 . . . . . 589 VAL H . 15618 1 831 . 1 1 67 67 VAL HA H 1 3.136 0.02 . 1 . . . . . 589 VAL HA . 15618 1 832 . 1 1 67 67 VAL HB H 1 1.813 0.02 . 1 . . . . . 589 VAL HB . 15618 1 833 . 1 1 67 67 VAL HG11 H 1 0.562 0.02 . 2 . . . . . 589 VAL QG1 . 15618 1 834 . 1 1 67 67 VAL HG12 H 1 0.562 0.02 . 2 . . . . . 589 VAL QG1 . 15618 1 835 . 1 1 67 67 VAL HG13 H 1 0.562 0.02 . 2 . . . . . 589 VAL QG1 . 15618 1 836 . 1 1 67 67 VAL HG21 H 1 0.437 0.02 . 2 . . . . . 589 VAL QG2 . 15618 1 837 . 1 1 67 67 VAL HG22 H 1 0.437 0.02 . 2 . . . . . 589 VAL QG2 . 15618 1 838 . 1 1 67 67 VAL HG23 H 1 0.437 0.02 . 2 . . . . . 589 VAL QG2 . 15618 1 839 . 1 1 67 67 VAL CA C 13 66.588 0.40 . 1 . . . . . 589 VAL CA . 15618 1 840 . 1 1 67 67 VAL CB C 13 30.979 0.40 . 1 . . . . . 589 VAL CB . 15618 1 841 . 1 1 67 67 VAL CG1 C 13 21.586 0.40 . 2 . . . . . 589 VAL CG1 . 15618 1 842 . 1 1 67 67 VAL CG2 C 13 21.747 0.40 . 2 . . . . . 589 VAL CG2 . 15618 1 843 . 1 1 67 67 VAL N N 15 123.156 0.40 . 1 . . . . . 589 VAL N . 15618 1 844 . 1 1 68 68 ALA H H 1 8.700 0.02 . 1 . . . . . 590 ALA H . 15618 1 845 . 1 1 68 68 ALA HA H 1 3.953 0.02 . 1 . . . . . 590 ALA HA . 15618 1 846 . 1 1 68 68 ALA HB1 H 1 1.316 0.02 . 1 . . . . . 590 ALA QB . 15618 1 847 . 1 1 68 68 ALA HB2 H 1 1.316 0.02 . 1 . . . . . 590 ALA QB . 15618 1 848 . 1 1 68 68 ALA HB3 H 1 1.316 0.02 . 1 . . . . . 590 ALA QB . 15618 1 849 . 1 1 68 68 ALA CA C 13 54.867 0.40 . 1 . . . . . 590 ALA CA . 15618 1 850 . 1 1 68 68 ALA CB C 13 18.134 0.40 . 1 . . . . . 590 ALA CB . 15618 1 851 . 1 1 68 68 ALA N N 15 118.895 0.40 . 1 . . . . . 590 ALA N . 15618 1 852 . 1 1 69 69 SER H H 1 6.961 0.02 . 1 . . . . . 591 SER H . 15618 1 853 . 1 1 69 69 SER HA H 1 4.195 0.02 . 1 . . . . . 591 SER HA . 15618 1 854 . 1 1 69 69 SER HB2 H 1 4.282 0.02 . 2 . . . . . 591 SER HB2 . 15618 1 855 . 1 1 69 69 SER HB3 H 1 3.904 0.02 . 2 . . . . . 591 SER HB3 . 15618 1 856 . 1 1 69 69 SER CA C 13 60.029 0.40 . 1 . . . . . 591 SER CA . 15618 1 857 . 1 1 69 69 SER CB C 13 62.045 0.40 . 1 . . . . . 591 SER CB . 15618 1 858 . 1 1 69 69 SER N N 15 111.445 0.40 . 1 . . . . . 591 SER N . 15618 1 859 . 1 1 70 70 ILE H H 1 7.386 0.02 . 1 . . . . . 592 ILE H . 15618 1 860 . 1 1 70 70 ILE HA H 1 3.361 0.02 . 1 . . . . . 592 ILE HA . 15618 1 861 . 1 1 70 70 ILE HB H 1 1.496 0.02 . 1 . . . . . 592 ILE HB . 15618 1 862 . 1 1 70 70 ILE HD11 H 1 0.283 0.02 . 1 . . . . . 592 ILE QD1 . 15618 1 863 . 1 1 70 70 ILE HD12 H 1 0.283 0.02 . 1 . . . . . 592 ILE QD1 . 15618 1 864 . 1 1 70 70 ILE HD13 H 1 0.283 0.02 . 1 . . . . . 592 ILE QD1 . 15618 1 865 . 1 1 70 70 ILE HG12 H 1 1.497 0.02 . 2 . . . . . 592 ILE HG12 . 15618 1 866 . 1 1 70 70 ILE HG13 H 1 0.654 0.02 . 2 . . . . . 592 ILE HG13 . 15618 1 867 . 1 1 70 70 ILE HG21 H 1 0.445 0.02 . 1 . . . . . 592 ILE QG2 . 15618 1 868 . 1 1 70 70 ILE HG22 H 1 0.445 0.02 . 1 . . . . . 592 ILE QG2 . 15618 1 869 . 1 1 70 70 ILE HG23 H 1 0.445 0.02 . 1 . . . . . 592 ILE QG2 . 15618 1 870 . 1 1 70 70 ILE CA C 13 65.332 0.40 . 1 . . . . . 592 ILE CA . 15618 1 871 . 1 1 70 70 ILE CB C 13 38.427 0.40 . 1 . . . . . 592 ILE CB . 15618 1 872 . 1 1 70 70 ILE CD1 C 13 16.793 0.40 . 1 . . . . . 592 ILE CD1 . 15618 1 873 . 1 1 70 70 ILE CG1 C 13 28.315 0.40 . 1 . . . . . 592 ILE CG1 . 15618 1 874 . 1 1 70 70 ILE CG2 C 13 15.489 0.40 . 1 . . . . . 592 ILE CG2 . 15618 1 875 . 1 1 70 70 ILE N N 15 122.407 0.40 . 1 . . . . . 592 ILE N . 15618 1 876 . 1 1 71 71 ILE H H 1 8.332 0.02 . 1 . . . . . 593 ILE H . 15618 1 877 . 1 1 71 71 ILE HA H 1 3.256 0.02 . 1 . . . . . 593 ILE HA . 15618 1 878 . 1 1 71 71 ILE HB H 1 1.722 0.02 . 1 . . . . . 593 ILE HB . 15618 1 879 . 1 1 71 71 ILE HD11 H 1 0.528 0.02 . 1 . . . . . 593 ILE QD1 . 15618 1 880 . 1 1 71 71 ILE HD12 H 1 0.528 0.02 . 1 . . . . . 593 ILE QD1 . 15618 1 881 . 1 1 71 71 ILE HD13 H 1 0.528 0.02 . 1 . . . . . 593 ILE QD1 . 15618 1 882 . 1 1 71 71 ILE HG12 H 1 1.408 0.02 . 2 . . . . . 593 ILE HG12 . 15618 1 883 . 1 1 71 71 ILE HG13 H 1 0.895 0.02 . 2 . . . . . 593 ILE HG13 . 15618 1 884 . 1 1 71 71 ILE HG21 H 1 0.633 0.02 . 1 . . . . . 593 ILE QG2 . 15618 1 885 . 1 1 71 71 ILE HG22 H 1 0.633 0.02 . 1 . . . . . 593 ILE QG2 . 15618 1 886 . 1 1 71 71 ILE HG23 H 1 0.633 0.02 . 1 . . . . . 593 ILE QG2 . 15618 1 887 . 1 1 71 71 ILE CA C 13 65.023 0.40 . 1 . . . . . 593 ILE CA . 15618 1 888 . 1 1 71 71 ILE CB C 13 36.662 0.40 . 1 . . . . . 593 ILE CB . 15618 1 889 . 1 1 71 71 ILE CD1 C 13 12.391 0.40 . 1 . . . . . 593 ILE CD1 . 15618 1 890 . 1 1 71 71 ILE CG1 C 13 29.889 0.40 . 1 . . . . . 593 ILE CG1 . 15618 1 891 . 1 1 71 71 ILE CG2 C 13 16.583 0.40 . 1 . . . . . 593 ILE CG2 . 15618 1 892 . 1 1 71 71 ILE N N 15 117.779 0.40 . 1 . . . . . 593 ILE N . 15618 1 893 . 1 1 72 72 THR H H 1 7.834 0.02 . 1 . . . . . 594 THR H . 15618 1 894 . 1 1 72 72 THR HA H 1 3.845 0.02 . 1 . . . . . 594 THR HA . 15618 1 895 . 1 1 72 72 THR HB H 1 4.311 0.02 . 1 . . . . . 594 THR HB . 15618 1 896 . 1 1 72 72 THR HG21 H 1 1.185 0.02 . 1 . . . . . 594 THR QG2 . 15618 1 897 . 1 1 72 72 THR HG22 H 1 1.185 0.02 . 1 . . . . . 594 THR QG2 . 15618 1 898 . 1 1 72 72 THR HG23 H 1 1.185 0.02 . 1 . . . . . 594 THR QG2 . 15618 1 899 . 1 1 72 72 THR CA C 13 67.376 0.40 . 1 . . . . . 594 THR CA . 15618 1 900 . 1 1 72 72 THR CB C 13 68.291 0.40 . 1 . . . . . 594 THR CB . 15618 1 901 . 1 1 72 72 THR CG2 C 13 21.356 0.40 . 1 . . . . . 594 THR CG2 . 15618 1 902 . 1 1 72 72 THR N N 15 117.154 0.40 . 1 . . . . . 594 THR N . 15618 1 903 . 1 1 73 73 LYS H H 1 7.803 0.02 . 1 . . . . . 595 LYS H . 15618 1 904 . 1 1 73 73 LYS HA H 1 3.936 0.02 . 1 . . . . . 595 LYS HA . 15618 1 905 . 1 1 73 73 LYS HB2 H 1 1.988 0.02 . 2 . . . . . 595 LYS HB2 . 15618 1 906 . 1 1 73 73 LYS HB3 H 1 1.714 0.02 . 2 . . . . . 595 LYS HB3 . 15618 1 907 . 1 1 73 73 LYS HD2 H 1 1.806 0.02 . 2 . . . . . 595 LYS HD2 . 15618 1 908 . 1 1 73 73 LYS HD3 H 1 1.761 0.02 . 2 . . . . . 595 LYS HD3 . 15618 1 909 . 1 1 73 73 LYS HE2 H 1 2.980 0.02 . 2 . . . . . 595 LYS HE2 . 15618 1 910 . 1 1 73 73 LYS HE3 H 1 2.788 0.02 . 2 . . . . . 595 LYS HE3 . 15618 1 911 . 1 1 73 73 LYS HG2 H 1 1.587 0.02 . 2 . . . . . 595 LYS HG2 . 15618 1 912 . 1 1 73 73 LYS HG3 H 1 1.441 0.02 . 2 . . . . . 595 LYS HG3 . 15618 1 913 . 1 1 73 73 LYS CA C 13 59.853 0.40 . 1 . . . . . 595 LYS CA . 15618 1 914 . 1 1 73 73 LYS CB C 13 32.531 0.40 . 1 . . . . . 595 LYS CB . 15618 1 915 . 1 1 73 73 LYS CD C 13 30.195 0.40 . 1 . . . . . 595 LYS CD . 15618 1 916 . 1 1 73 73 LYS CE C 13 41.960 0.40 . 1 . . . . . 595 LYS CE . 15618 1 917 . 1 1 73 73 LYS CG C 13 25.781 0.40 . 1 . . . . . 595 LYS CG . 15618 1 918 . 1 1 73 73 LYS N N 15 122.657 0.40 . 1 . . . . . 595 LYS N . 15618 1 919 . 1 1 74 74 LEU H H 1 8.088 0.02 . 1 . . . . . 596 LEU H . 15618 1 920 . 1 1 74 74 LEU HA H 1 3.681 0.02 . 1 . . . . . 596 LEU HA . 15618 1 921 . 1 1 74 74 LEU HB2 H 1 1.645 0.02 . 2 . . . . . 596 LEU HB2 . 15618 1 922 . 1 1 74 74 LEU HB3 H 1 0.914 0.02 . 2 . . . . . 596 LEU HB3 . 15618 1 923 . 1 1 74 74 LEU HD11 H 1 0.418 0.02 . 2 . . . . . 596 LEU QD1 . 15618 1 924 . 1 1 74 74 LEU HD12 H 1 0.418 0.02 . 2 . . . . . 596 LEU QD1 . 15618 1 925 . 1 1 74 74 LEU HD13 H 1 0.418 0.02 . 2 . . . . . 596 LEU QD1 . 15618 1 926 . 1 1 74 74 LEU HD21 H 1 -0.057 0.02 . 2 . . . . . 596 LEU QD2 . 15618 1 927 . 1 1 74 74 LEU HD22 H 1 -0.057 0.02 . 2 . . . . . 596 LEU QD2 . 15618 1 928 . 1 1 74 74 LEU HD23 H 1 -0.057 0.02 . 2 . . . . . 596 LEU QD2 . 15618 1 929 . 1 1 74 74 LEU HG H 1 1.390 0.02 . 1 . . . . . 596 LEU HG . 15618 1 930 . 1 1 74 74 LEU CA C 13 57.217 0.40 . 1 . . . . . 596 LEU CA . 15618 1 931 . 1 1 74 74 LEU CB C 13 41.122 0.40 . 1 . . . . . 596 LEU CB . 15618 1 932 . 1 1 74 74 LEU CD1 C 13 25.817 0.40 . 2 . . . . . 596 LEU CD1 . 15618 1 933 . 1 1 74 74 LEU CD2 C 13 20.959 0.40 . 2 . . . . . 596 LEU CD2 . 15618 1 934 . 1 1 74 74 LEU CG C 13 25.824 0.40 . 1 . . . . . 596 LEU CG . 15618 1 935 . 1 1 74 74 LEU N N 15 119.593 0.40 . 1 . . . . . 596 LEU N . 15618 1 936 . 1 1 75 75 ASN H H 1 8.949 0.02 . 1 . . . . . 597 ASN H . 15618 1 937 . 1 1 75 75 ASN HA H 1 4.471 0.02 . 1 . . . . . 597 ASN HA . 15618 1 938 . 1 1 75 75 ASN HB2 H 1 3.023 0.02 . 2 . . . . . 597 ASN HB2 . 15618 1 939 . 1 1 75 75 ASN HB3 H 1 2.666 0.02 . 2 . . . . . 597 ASN HB3 . 15618 1 940 . 1 1 75 75 ASN HD21 H 1 7.697 0.02 . 2 . . . . . 597 ASN HD21 . 15618 1 941 . 1 1 75 75 ASN HD22 H 1 7.042 0.02 . 2 . . . . . 597 ASN HD22 . 15618 1 942 . 1 1 75 75 ASN CA C 13 54.735 0.40 . 1 . . . . . 597 ASN CA . 15618 1 943 . 1 1 75 75 ASN CB C 13 37.074 0.40 . 1 . . . . . 597 ASN CB . 15618 1 944 . 1 1 75 75 ASN N N 15 121.103 0.40 . 1 . . . . . 597 ASN N . 15618 1 945 . 1 1 75 75 ASN ND2 N 15 108.889 0.40 . 1 . . . . . 597 ASN ND2 . 15618 1 946 . 1 1 76 76 SER H H 1 7.927 0.02 . 1 . . . . . 598 SER H . 15618 1 947 . 1 1 76 76 SER HA H 1 4.137 0.02 . 1 . . . . . 598 SER HA . 15618 1 948 . 1 1 76 76 SER HB2 H 1 3.944 0.02 . 2 . . . . . 598 SER HB2 . 15618 1 949 . 1 1 76 76 SER HB3 H 1 3.901 0.02 . 2 . . . . . 598 SER HB3 . 15618 1 950 . 1 1 76 76 SER CA C 13 60.952 0.40 . 1 . . . . . 598 SER CA . 15618 1 951 . 1 1 76 76 SER CB C 13 62.516 0.40 . 1 . . . . . 598 SER CB . 15618 1 952 . 1 1 76 76 SER N N 15 116.716 0.40 . 1 . . . . . 598 SER N . 15618 1 953 . 1 1 77 77 LEU H H 1 7.543 0.02 . 1 . . . . . 599 LEU H . 15618 1 954 . 1 1 77 77 LEU HA H 1 3.974 0.02 . 1 . . . . . 599 LEU HA . 15618 1 955 . 1 1 77 77 LEU HB2 H 1 1.783 0.02 . 2 . . . . . 599 LEU HB2 . 15618 1 956 . 1 1 77 77 LEU HB3 H 1 1.350 0.02 . 2 . . . . . 599 LEU HB3 . 15618 1 957 . 1 1 77 77 LEU HD11 H 1 0.648 0.02 . 2 . . . . . 599 LEU QD1 . 15618 1 958 . 1 1 77 77 LEU HD12 H 1 0.648 0.02 . 2 . . . . . 599 LEU QD1 . 15618 1 959 . 1 1 77 77 LEU HD13 H 1 0.648 0.02 . 2 . . . . . 599 LEU QD1 . 15618 1 960 . 1 1 77 77 LEU HD21 H 1 0.826 0.02 . 2 . . . . . 599 LEU QD2 . 15618 1 961 . 1 1 77 77 LEU HD22 H 1 0.826 0.02 . 2 . . . . . 599 LEU QD2 . 15618 1 962 . 1 1 77 77 LEU HD23 H 1 0.826 0.02 . 2 . . . . . 599 LEU QD2 . 15618 1 963 . 1 1 77 77 LEU HG H 1 1.657 0.02 . 1 . . . . . 599 LEU HG . 15618 1 964 . 1 1 77 77 LEU CA C 13 57.200 0.40 . 1 . . . . . 599 LEU CA . 15618 1 965 . 1 1 77 77 LEU CB C 13 41.749 0.40 . 1 . . . . . 599 LEU CB . 15618 1 966 . 1 1 77 77 LEU CD1 C 13 25.836 0.40 . 2 . . . . . 599 LEU CD1 . 15618 1 967 . 1 1 77 77 LEU CD2 C 13 22.718 0.40 . 2 . . . . . 599 LEU CD2 . 15618 1 968 . 1 1 77 77 LEU CG C 13 26.773 0.40 . 1 . . . . . 599 LEU CG . 15618 1 969 . 1 1 77 77 LEU N N 15 121.292 0.40 . 1 . . . . . 599 LEU N . 15618 1 970 . 1 1 78 78 ASN H H 1 7.755 0.02 . 1 . . . . . 600 ASN H . 15618 1 971 . 1 1 78 78 ASN HA H 1 4.114 0.02 . 1 . . . . . 600 ASN HA . 15618 1 972 . 1 1 78 78 ASN HB2 H 1 3.119 0.02 . 2 . . . . . 600 ASN HB2 . 15618 1 973 . 1 1 78 78 ASN HB3 H 1 2.290 0.02 . 2 . . . . . 600 ASN HB3 . 15618 1 974 . 1 1 78 78 ASN HD21 H 1 7.418 0.02 . 2 . . . . . 600 ASN HD21 . 15618 1 975 . 1 1 78 78 ASN HD22 H 1 6.455 0.02 . 2 . . . . . 600 ASN HD22 . 15618 1 976 . 1 1 78 78 ASN CA C 13 53.603 0.40 . 1 . . . . . 600 ASN CA . 15618 1 977 . 1 1 78 78 ASN CB C 13 37.688 0.40 . 1 . . . . . 600 ASN CB . 15618 1 978 . 1 1 78 78 ASN N N 15 113.272 0.40 . 1 . . . . . 600 ASN N . 15618 1 979 . 1 1 78 78 ASN ND2 N 15 109.342 0.40 . 1 . . . . . 600 ASN ND2 . 15618 1 980 . 1 1 79 79 GLU H H 1 8.389 0.02 . 1 . . . . . 601 GLU H . 15618 1 981 . 1 1 79 79 GLU HA H 1 4.675 0.02 . 1 . . . . . 601 GLU HA . 15618 1 982 . 1 1 79 79 GLU HB2 H 1 1.984 0.02 . 2 . . . . . 601 GLU HB2 . 15618 1 983 . 1 1 79 79 GLU HB3 H 1 1.691 0.02 . 2 . . . . . 601 GLU HB3 . 15618 1 984 . 1 1 79 79 GLU HG2 H 1 1.988 0.02 . 2 . . . . . 601 GLU HG2 . 15618 1 985 . 1 1 79 79 GLU HG3 H 1 2.046 0.02 . 2 . . . . . 601 GLU HG3 . 15618 1 986 . 1 1 79 79 GLU CA C 13 53.418 0.40 . 1 . . . . . 601 GLU CA . 15618 1 987 . 1 1 79 79 GLU CB C 13 30.704 0.40 . 1 . . . . . 601 GLU CB . 15618 1 988 . 1 1 79 79 GLU CG C 13 36.461 0.40 . 1 . . . . . 601 GLU CG . 15618 1 989 . 1 1 79 79 GLU N N 15 118.840 0.40 . 1 . . . . . 601 GLU N . 15618 1 990 . 1 1 80 80 PRO HA H 1 4.771 0.02 . 1 . . . . . 602 PRO HA . 15618 1 991 . 1 1 80 80 PRO HB2 H 1 2.167 0.02 . 2 . . . . . 602 PRO HB2 . 15618 1 992 . 1 1 80 80 PRO HB3 H 1 1.764 0.02 . 2 . . . . . 602 PRO HB3 . 15618 1 993 . 1 1 80 80 PRO HD2 H 1 3.762 0.02 . 2 . . . . . 602 PRO HD2 . 15618 1 994 . 1 1 80 80 PRO HD3 H 1 3.692 0.02 . 2 . . . . . 602 PRO HD3 . 15618 1 995 . 1 1 80 80 PRO HG2 H 1 2.092 0.02 . 2 . . . . . 602 PRO HG2 . 15618 1 996 . 1 1 80 80 PRO HG3 H 1 1.924 0.02 . 2 . . . . . 602 PRO HG3 . 15618 1 997 . 1 1 80 80 PRO CA C 13 62.189 0.40 . 1 . . . . . 602 PRO CA . 15618 1 998 . 1 1 80 80 PRO CB C 13 32.196 0.40 . 1 . . . . . 602 PRO CB . 15618 1 999 . 1 1 80 80 PRO CD C 13 49.859 0.40 . 1 . . . . . 602 PRO CD . 15618 1 1000 . 1 1 80 80 PRO CG C 13 27.856 0.40 . 1 . . . . . 602 PRO CG . 15618 1 1001 . 1 1 81 81 LEU H H 1 8.539 0.02 . 1 . . . . . 603 LEU H . 15618 1 1002 . 1 1 81 81 LEU HA H 1 5.766 0.02 . 1 . . . . . 603 LEU HA . 15618 1 1003 . 1 1 81 81 LEU HB2 H 1 1.565 0.02 . 2 . . . . . 603 LEU HB2 . 15618 1 1004 . 1 1 81 81 LEU HB3 H 1 1.220 0.02 . 2 . . . . . 603 LEU HB3 . 15618 1 1005 . 1 1 81 81 LEU HD11 H 1 0.715 0.02 . 2 . . . . . 603 LEU QD1 . 15618 1 1006 . 1 1 81 81 LEU HD12 H 1 0.715 0.02 . 2 . . . . . 603 LEU QD1 . 15618 1 1007 . 1 1 81 81 LEU HD13 H 1 0.715 0.02 . 2 . . . . . 603 LEU QD1 . 15618 1 1008 . 1 1 81 81 LEU HD21 H 1 0.760 0.02 . 2 . . . . . 603 LEU QD2 . 15618 1 1009 . 1 1 81 81 LEU HD22 H 1 0.760 0.02 . 2 . . . . . 603 LEU QD2 . 15618 1 1010 . 1 1 81 81 LEU HD23 H 1 0.760 0.02 . 2 . . . . . 603 LEU QD2 . 15618 1 1011 . 1 1 81 81 LEU HG H 1 2.001 0.02 . 1 . . . . . 603 LEU HG . 15618 1 1012 . 1 1 81 81 LEU CA C 13 53.432 0.40 . 1 . . . . . 603 LEU CA . 15618 1 1013 . 1 1 81 81 LEU CB C 13 48.114 0.40 . 1 . . . . . 603 LEU CB . 15618 1 1014 . 1 1 81 81 LEU CD1 C 13 28.465 0.40 . 2 . . . . . 603 LEU CD1 . 15618 1 1015 . 1 1 81 81 LEU CD2 C 13 26.588 0.40 . 2 . . . . . 603 LEU CD2 . 15618 1 1016 . 1 1 81 81 LEU CG C 13 25.798 0.40 . 1 . . . . . 603 LEU CG . 15618 1 1017 . 1 1 81 81 LEU N N 15 118.455 0.40 . 1 . . . . . 603 LEU N . 15618 1 1018 . 1 1 82 82 VAL H H 1 8.322 0.02 . 1 . . . . . 604 VAL H . 15618 1 1019 . 1 1 82 82 VAL HA H 1 5.110 0.02 . 1 . . . . . 604 VAL HA . 15618 1 1020 . 1 1 82 82 VAL HB H 1 1.981 0.02 . 1 . . . . . 604 VAL HB . 15618 1 1021 . 1 1 82 82 VAL HG11 H 1 1.017 0.02 . 2 . . . . . 604 VAL QG1 . 15618 1 1022 . 1 1 82 82 VAL HG12 H 1 1.017 0.02 . 2 . . . . . 604 VAL QG1 . 15618 1 1023 . 1 1 82 82 VAL HG13 H 1 1.017 0.02 . 2 . . . . . 604 VAL QG1 . 15618 1 1024 . 1 1 82 82 VAL HG21 H 1 1.074 0.02 . 2 . . . . . 604 VAL QG2 . 15618 1 1025 . 1 1 82 82 VAL HG22 H 1 1.074 0.02 . 2 . . . . . 604 VAL QG2 . 15618 1 1026 . 1 1 82 82 VAL HG23 H 1 1.074 0.02 . 2 . . . . . 604 VAL QG2 . 15618 1 1027 . 1 1 82 82 VAL CA C 13 59.609 0.40 . 1 . . . . . 604 VAL CA . 15618 1 1028 . 1 1 82 82 VAL CB C 13 34.100 0.40 . 1 . . . . . 604 VAL CB . 15618 1 1029 . 1 1 82 82 VAL CG1 C 13 21.933 0.40 . 2 . . . . . 604 VAL CG1 . 15618 1 1030 . 1 1 82 82 VAL CG2 C 13 19.456 0.40 . 2 . . . . . 604 VAL CG2 . 15618 1 1031 . 1 1 82 82 VAL N N 15 121.259 0.40 . 1 . . . . . 604 VAL N . 15618 1 1032 . 1 1 83 83 THR H H 1 8.570 0.02 . 1 . . . . . 605 THR H . 15618 1 1033 . 1 1 83 83 THR HA H 1 5.107 0.02 . 1 . . . . . 605 THR HA . 15618 1 1034 . 1 1 83 83 THR HB H 1 3.508 0.02 . 1 . . . . . 605 THR HB . 15618 1 1035 . 1 1 83 83 THR HG21 H 1 0.810 0.02 . 1 . . . . . 605 THR QG2 . 15618 1 1036 . 1 1 83 83 THR HG22 H 1 0.810 0.02 . 1 . . . . . 605 THR QG2 . 15618 1 1037 . 1 1 83 83 THR HG23 H 1 0.810 0.02 . 1 . . . . . 605 THR QG2 . 15618 1 1038 . 1 1 83 83 THR CA C 13 59.606 0.40 . 1 . . . . . 605 THR CA . 15618 1 1039 . 1 1 83 83 THR CB C 13 71.321 0.40 . 1 . . . . . 605 THR CB . 15618 1 1040 . 1 1 83 83 THR CG2 C 13 19.800 0.40 . 1 . . . . . 605 THR CG2 . 15618 1 1041 . 1 1 83 83 THR N N 15 117.620 0.40 . 1 . . . . . 605 THR N . 15618 1 1042 . 1 1 84 84 MET H H 1 8.288 0.02 . 1 . . . . . 606 MET H . 15618 1 1043 . 1 1 84 84 MET HA H 1 5.310 0.02 . 1 . . . . . 606 MET HA . 15618 1 1044 . 1 1 84 84 MET HB2 H 1 2.233 0.02 . 2 . . . . . 606 MET HB2 . 15618 1 1045 . 1 1 84 84 MET HB3 H 1 1.912 0.02 . 2 . . . . . 606 MET HB3 . 15618 1 1046 . 1 1 84 84 MET HE1 H 1 2.170 0.02 . 1 . . . . . 606 MET QE . 15618 1 1047 . 1 1 84 84 MET HE2 H 1 2.170 0.02 . 1 . . . . . 606 MET QE . 15618 1 1048 . 1 1 84 84 MET HE3 H 1 2.170 0.02 . 1 . . . . . 606 MET QE . 15618 1 1049 . 1 1 84 84 MET HG2 H 1 2.883 0.02 . 2 . . . . . 606 MET HG2 . 15618 1 1050 . 1 1 84 84 MET HG3 H 1 2.550 0.02 . 2 . . . . . 606 MET HG3 . 15618 1 1051 . 1 1 84 84 MET CA C 13 55.491 0.40 . 1 . . . . . 606 MET CA . 15618 1 1052 . 1 1 84 84 MET CB C 13 31.549 0.40 . 1 . . . . . 606 MET CB . 15618 1 1053 . 1 1 84 84 MET CE C 13 17.513 0.40 . 1 . . . . . 606 MET CE . 15618 1 1054 . 1 1 84 84 MET CG C 13 33.192 0.40 . 1 . . . . . 606 MET CG . 15618 1 1055 . 1 1 84 84 MET N N 15 125.405 0.40 . 1 . . . . . 606 MET N . 15618 1 1056 . 1 1 85 85 PRO HA H 1 4.048 0.02 . 1 . . . . . 607 PRO HA . 15618 1 1057 . 1 1 85 85 PRO HB2 H 1 2.014 0.02 . 2 . . . . . 607 PRO HB2 . 15618 1 1058 . 1 1 85 85 PRO HB3 H 1 1.776 0.02 . 2 . . . . . 607 PRO HB3 . 15618 1 1059 . 1 1 85 85 PRO HD2 H 1 3.990 0.02 . 2 . . . . . 607 PRO HD2 . 15618 1 1060 . 1 1 85 85 PRO HD3 H 1 3.358 0.02 . 2 . . . . . 607 PRO HD3 . 15618 1 1061 . 1 1 85 85 PRO HG2 H 1 1.577 0.02 . 2 . . . . . 607 PRO HG2 . 15618 1 1062 . 1 1 85 85 PRO HG3 H 1 1.184 0.02 . 2 . . . . . 607 PRO HG3 . 15618 1 1063 . 1 1 85 85 PRO CA C 13 63.608 0.40 . 1 . . . . . 607 PRO CA . 15618 1 1064 . 1 1 85 85 PRO CB C 13 31.291 0.40 . 1 . . . . . 607 PRO CB . 15618 1 1065 . 1 1 85 85 PRO CD C 13 49.411 0.40 . 1 . . . . . 607 PRO CD . 15618 1 1066 . 1 1 85 85 PRO CG C 13 28.481 0.40 . 1 . . . . . 607 PRO CG . 15618 1 1067 . 1 1 86 86 ILE H H 1 8.326 0.02 . 1 . . . . . 608 ILE H . 15618 1 1068 . 1 1 86 86 ILE HA H 1 3.423 0.02 . 1 . . . . . 608 ILE HA . 15618 1 1069 . 1 1 86 86 ILE HB H 1 1.663 0.02 . 1 . . . . . 608 ILE HB . 15618 1 1070 . 1 1 86 86 ILE HD11 H 1 0.580 0.02 . 1 . . . . . 608 ILE QD1 . 15618 1 1071 . 1 1 86 86 ILE HD12 H 1 0.580 0.02 . 1 . . . . . 608 ILE QD1 . 15618 1 1072 . 1 1 86 86 ILE HD13 H 1 0.580 0.02 . 1 . . . . . 608 ILE QD1 . 15618 1 1073 . 1 1 86 86 ILE HG12 H 1 1.496 0.02 . 2 . . . . . 608 ILE HG12 . 15618 1 1074 . 1 1 86 86 ILE HG13 H 1 1.153 0.02 . 2 . . . . . 608 ILE HG13 . 15618 1 1075 . 1 1 86 86 ILE HG21 H 1 0.414 0.02 . 1 . . . . . 608 ILE QG2 . 15618 1 1076 . 1 1 86 86 ILE HG22 H 1 0.414 0.02 . 1 . . . . . 608 ILE QG2 . 15618 1 1077 . 1 1 86 86 ILE HG23 H 1 0.414 0.02 . 1 . . . . . 608 ILE QG2 . 15618 1 1078 . 1 1 86 86 ILE CA C 13 63.457 0.40 . 1 . . . . . 608 ILE CA . 15618 1 1079 . 1 1 86 86 ILE CB C 13 35.800 0.40 . 1 . . . . . 608 ILE CB . 15618 1 1080 . 1 1 86 86 ILE CD1 C 13 11.130 0.40 . 1 . . . . . 608 ILE CD1 . 15618 1 1081 . 1 1 86 86 ILE CG1 C 13 28.003 0.40 . 1 . . . . . 608 ILE CG1 . 15618 1 1082 . 1 1 86 86 ILE CG2 C 13 16.981 0.40 . 1 . . . . . 608 ILE CG2 . 15618 1 1083 . 1 1 86 86 ILE N N 15 133.106 0.40 . 1 . . . . . 608 ILE N . 15618 1 1084 . 1 1 87 87 GLY H H 1 8.549 0.02 . 1 . . . . . 609 GLY H . 15618 1 1085 . 1 1 87 87 GLY HA2 H 1 3.448 0.02 . 2 . . . . . 609 GLY HA2 . 15618 1 1086 . 1 1 87 87 GLY HA3 H 1 4.101 0.02 . 2 . . . . . 609 GLY HA3 . 15618 1 1087 . 1 1 87 87 GLY CA C 13 44.556 0.40 . 1 . . . . . 609 GLY CA . 15618 1 1088 . 1 1 87 87 GLY N N 15 111.653 0.40 . 1 . . . . . 609 GLY N . 15618 1 1089 . 1 1 88 88 TYR H H 1 7.224 0.02 . 1 . . . . . 610 TYR H . 15618 1 1090 . 1 1 88 88 TYR HA H 1 4.437 0.02 . 1 . . . . . 610 TYR HA . 15618 1 1091 . 1 1 88 88 TYR HB2 H 1 3.020 0.02 . 2 . . . . . 610 TYR HB2 . 15618 1 1092 . 1 1 88 88 TYR HB3 H 1 2.728 0.02 . 2 . . . . . 610 TYR HB3 . 15618 1 1093 . 1 1 88 88 TYR HD1 H 1 7.059 0.02 . 3 . . . . . 610 TYR QD . 15618 1 1094 . 1 1 88 88 TYR HD2 H 1 7.059 0.02 . 3 . . . . . 610 TYR QD . 15618 1 1095 . 1 1 88 88 TYR HE1 H 1 6.913 0.02 . 3 . . . . . 610 TYR QE . 15618 1 1096 . 1 1 88 88 TYR HE2 H 1 6.913 0.02 . 3 . . . . . 610 TYR QE . 15618 1 1097 . 1 1 88 88 TYR CA C 13 57.670 0.40 . 1 . . . . . 610 TYR CA . 15618 1 1098 . 1 1 88 88 TYR CB C 13 38.604 0.40 . 1 . . . . . 610 TYR CB . 15618 1 1099 . 1 1 88 88 TYR CD1 C 13 132.569 0.40 . 3 . . . . . 610 TYR CD1 . 15618 1 1100 . 1 1 88 88 TYR CE1 C 13 118.936 0.40 . 3 . . . . . 610 TYR CE1 . 15618 1 1101 . 1 1 88 88 TYR N N 15 121.537 0.40 . 1 . . . . . 610 TYR N . 15618 1 1102 . 1 1 89 89 VAL H H 1 8.953 0.02 . 1 . . . . . 611 VAL H . 15618 1 1103 . 1 1 89 89 VAL HA H 1 3.065 0.02 . 1 . . . . . 611 VAL HA . 15618 1 1104 . 1 1 89 89 VAL HB H 1 2.466 0.02 . 1 . . . . . 611 VAL HB . 15618 1 1105 . 1 1 89 89 VAL HG11 H 1 0.717 0.02 . 2 . . . . . 611 VAL QG1 . 15618 1 1106 . 1 1 89 89 VAL HG12 H 1 0.717 0.02 . 2 . . . . . 611 VAL QG1 . 15618 1 1107 . 1 1 89 89 VAL HG13 H 1 0.717 0.02 . 2 . . . . . 611 VAL QG1 . 15618 1 1108 . 1 1 89 89 VAL HG21 H 1 0.032 0.02 . 2 . . . . . 611 VAL QG2 . 15618 1 1109 . 1 1 89 89 VAL HG22 H 1 0.032 0.02 . 2 . . . . . 611 VAL QG2 . 15618 1 1110 . 1 1 89 89 VAL HG23 H 1 0.032 0.02 . 2 . . . . . 611 VAL QG2 . 15618 1 1111 . 1 1 89 89 VAL CA C 13 70.009 0.40 . 1 . . . . . 611 VAL CA . 15618 1 1112 . 1 1 89 89 VAL CB C 13 30.422 0.40 . 1 . . . . . 611 VAL CB . 15618 1 1113 . 1 1 89 89 VAL CG1 C 13 21.296 0.40 . 2 . . . . . 611 VAL CG1 . 15618 1 1114 . 1 1 89 89 VAL CG2 C 13 20.335 0.40 . 2 . . . . . 611 VAL CG2 . 15618 1 1115 . 1 1 89 89 VAL N N 15 128.074 0.40 . 1 . . . . . 611 VAL N . 15618 1 1116 . 1 1 90 90 THR H H 1 9.348 0.02 . 1 . . . . . 612 THR H . 15618 1 1117 . 1 1 90 90 THR HA H 1 3.810 0.02 . 1 . . . . . 612 THR HA . 15618 1 1118 . 1 1 90 90 THR HB H 1 4.285 0.02 . 1 . . . . . 612 THR HB . 15618 1 1119 . 1 1 90 90 THR HG21 H 1 1.278 0.02 . 1 . . . . . 612 THR QG2 . 15618 1 1120 . 1 1 90 90 THR HG22 H 1 1.278 0.02 . 1 . . . . . 612 THR QG2 . 15618 1 1121 . 1 1 90 90 THR HG23 H 1 1.278 0.02 . 1 . . . . . 612 THR QG2 . 15618 1 1122 . 1 1 90 90 THR CA C 13 64.727 0.40 . 1 . . . . . 612 THR CA . 15618 1 1123 . 1 1 90 90 THR CB C 13 68.005 0.40 . 1 . . . . . 612 THR CB . 15618 1 1124 . 1 1 90 90 THR CG2 C 13 21.913 0.40 . 1 . . . . . 612 THR CG2 . 15618 1 1125 . 1 1 90 90 THR N N 15 117.972 0.40 . 1 . . . . . 612 THR N . 15618 1 1126 . 1 1 91 91 HIS H H 1 7.651 0.02 . 1 . . . . . 613 HIS H . 15618 1 1127 . 1 1 91 91 HIS HA H 1 4.685 0.02 . 1 . . . . . 613 HIS HA . 15618 1 1128 . 1 1 91 91 HIS HB2 H 1 3.032 0.02 . 2 . . . . . 613 HIS HB2 . 15618 1 1129 . 1 1 91 91 HIS HB3 H 1 2.221 0.02 . 2 . . . . . 613 HIS HB3 . 15618 1 1130 . 1 1 91 91 HIS HD2 H 1 6.948 0.02 . 1 . . . . . 613 HIS HD2 . 15618 1 1131 . 1 1 91 91 HIS CA C 13 55.419 0.40 . 1 . . . . . 613 HIS CA . 15618 1 1132 . 1 1 91 91 HIS CB C 13 29.092 0.40 . 1 . . . . . 613 HIS CB . 15618 1 1133 . 1 1 91 91 HIS CD2 C 13 120.312 0.40 . 1 . . . . . 613 HIS CD2 . 15618 1 1134 . 1 1 91 91 HIS N N 15 119.034 0.40 . 1 . . . . . 613 HIS N . 15618 1 1135 . 1 1 92 92 GLY H H 1 7.655 0.02 . 1 . . . . . 614 GLY H . 15618 1 1136 . 1 1 92 92 GLY HA2 H 1 3.665 0.02 . 2 . . . . . 614 GLY HA2 . 15618 1 1137 . 1 1 92 92 GLY HA3 H 1 4.095 0.02 . 2 . . . . . 614 GLY HA3 . 15618 1 1138 . 1 1 92 92 GLY CA C 13 45.035 0.40 . 1 . . . . . 614 GLY CA . 15618 1 1139 . 1 1 92 92 GLY N N 15 106.031 0.40 . 1 . . . . . 614 GLY N . 15618 1 1140 . 1 1 93 93 PHE H H 1 6.716 0.02 . 1 . . . . . 615 PHE H . 15618 1 1141 . 1 1 93 93 PHE HA H 1 5.244 0.02 . 1 . . . . . 615 PHE HA . 15618 1 1142 . 1 1 93 93 PHE HB2 H 1 3.582 0.02 . 2 . . . . . 615 PHE HB2 . 15618 1 1143 . 1 1 93 93 PHE HB3 H 1 3.016 0.02 . 2 . . . . . 615 PHE HB3 . 15618 1 1144 . 1 1 93 93 PHE HD1 H 1 6.918 0.02 . 3 . . . . . 615 PHE QD . 15618 1 1145 . 1 1 93 93 PHE HD2 H 1 6.918 0.02 . 3 . . . . . 615 PHE QD . 15618 1 1146 . 1 1 93 93 PHE HE1 H 1 7.378 0.02 . 3 . . . . . 615 PHE QE . 15618 1 1147 . 1 1 93 93 PHE HE2 H 1 7.378 0.02 . 3 . . . . . 615 PHE QE . 15618 1 1148 . 1 1 93 93 PHE HZ H 1 7.232 0.02 . 1 . . . . . 615 PHE HZ . 15618 1 1149 . 1 1 93 93 PHE CA C 13 53.904 0.40 . 1 . . . . . 615 PHE CA . 15618 1 1150 . 1 1 93 93 PHE CB C 13 38.587 0.40 . 1 . . . . . 615 PHE CB . 15618 1 1151 . 1 1 93 93 PHE CD1 C 13 129.231 0.40 . 3 . . . . . 615 PHE CD1 . 15618 1 1152 . 1 1 93 93 PHE CE1 C 13 131.892 0.40 . 3 . . . . . 615 PHE CE1 . 15618 1 1153 . 1 1 93 93 PHE CZ C 13 129.323 0.40 . 1 . . . . . 615 PHE CZ . 15618 1 1154 . 1 1 93 93 PHE N N 15 116.220 0.40 . 1 . . . . . 615 PHE N . 15618 1 1155 . 1 1 94 94 ASN H H 1 9.141 0.02 . 1 . . . . . 616 ASN H . 15618 1 1156 . 1 1 94 94 ASN HA H 1 4.956 0.02 . 1 . . . . . 616 ASN HA . 15618 1 1157 . 1 1 94 94 ASN HB2 H 1 3.566 0.02 . 2 . . . . . 616 ASN HB2 . 15618 1 1158 . 1 1 94 94 ASN HB3 H 1 3.027 0.02 . 2 . . . . . 616 ASN HB3 . 15618 1 1159 . 1 1 94 94 ASN HD21 H 1 7.320 0.02 . 2 . . . . . 616 ASN HD21 . 15618 1 1160 . 1 1 94 94 ASN HD22 H 1 7.001 0.02 . 2 . . . . . 616 ASN HD22 . 15618 1 1161 . 1 1 94 94 ASN CA C 13 51.278 0.40 . 1 . . . . . 616 ASN CA . 15618 1 1162 . 1 1 94 94 ASN CB C 13 37.692 0.40 . 1 . . . . . 616 ASN CB . 15618 1 1163 . 1 1 94 94 ASN N N 15 122.153 0.40 . 1 . . . . . 616 ASN N . 15618 1 1164 . 1 1 94 94 ASN ND2 N 15 110.025 0.40 . 1 . . . . . 616 ASN ND2 . 15618 1 1165 . 1 1 95 95 LEU H H 1 8.684 0.02 . 1 . . . . . 617 LEU H . 15618 1 1166 . 1 1 95 95 LEU HA H 1 3.831 0.02 . 1 . . . . . 617 LEU HA . 15618 1 1167 . 1 1 95 95 LEU HB2 H 1 1.892 0.02 . 2 . . . . . 617 LEU HB2 . 15618 1 1168 . 1 1 95 95 LEU HB3 H 1 1.502 0.02 . 2 . . . . . 617 LEU HB3 . 15618 1 1169 . 1 1 95 95 LEU HD11 H 1 0.875 0.02 . 2 . . . . . 617 LEU QD1 . 15618 1 1170 . 1 1 95 95 LEU HD12 H 1 0.875 0.02 . 2 . . . . . 617 LEU QD1 . 15618 1 1171 . 1 1 95 95 LEU HD13 H 1 0.875 0.02 . 2 . . . . . 617 LEU QD1 . 15618 1 1172 . 1 1 95 95 LEU HD21 H 1 0.562 0.02 . 2 . . . . . 617 LEU QD2 . 15618 1 1173 . 1 1 95 95 LEU HD22 H 1 0.562 0.02 . 2 . . . . . 617 LEU QD2 . 15618 1 1174 . 1 1 95 95 LEU HD23 H 1 0.562 0.02 . 2 . . . . . 617 LEU QD2 . 15618 1 1175 . 1 1 95 95 LEU HG H 1 1.790 0.02 . 1 . . . . . 617 LEU HG . 15618 1 1176 . 1 1 95 95 LEU CA C 13 58.457 0.40 . 1 . . . . . 617 LEU CA . 15618 1 1177 . 1 1 95 95 LEU CB C 13 41.985 0.40 . 1 . . . . . 617 LEU CB . 15618 1 1178 . 1 1 95 95 LEU CD1 C 13 24.559 0.40 . 2 . . . . . 617 LEU CD1 . 15618 1 1179 . 1 1 95 95 LEU CD2 C 13 23.044 0.40 . 2 . . . . . 617 LEU CD2 . 15618 1 1180 . 1 1 95 95 LEU CG C 13 26.866 0.40 . 1 . . . . . 617 LEU CG . 15618 1 1181 . 1 1 95 95 LEU N N 15 119.153 0.40 . 1 . . . . . 617 LEU N . 15618 1 1182 . 1 1 96 96 GLU H H 1 7.747 0.02 . 1 . . . . . 618 GLU H . 15618 1 1183 . 1 1 96 96 GLU HA H 1 2.864 0.02 . 1 . . . . . 618 GLU HA . 15618 1 1184 . 1 1 96 96 GLU HB2 H 1 1.524 0.02 . 2 . . . . . 618 GLU HB2 . 15618 1 1185 . 1 1 96 96 GLU HB3 H 1 0.795 0.02 . 2 . . . . . 618 GLU HB3 . 15618 1 1186 . 1 1 96 96 GLU HG2 H 1 1.546 0.02 . 2 . . . . . 618 GLU HG2 . 15618 1 1187 . 1 1 96 96 GLU HG3 H 1 1.228 0.02 . 2 . . . . . 618 GLU HG3 . 15618 1 1188 . 1 1 96 96 GLU CA C 13 59.402 0.40 . 1 . . . . . 618 GLU CA . 15618 1 1189 . 1 1 96 96 GLU CB C 13 28.323 0.40 . 1 . . . . . 618 GLU CB . 15618 1 1190 . 1 1 96 96 GLU CG C 13 35.495 0.40 . 1 . . . . . 618 GLU CG . 15618 1 1191 . 1 1 96 96 GLU N N 15 120.199 0.40 . 1 . . . . . 618 GLU N . 15618 1 1192 . 1 1 97 97 GLU H H 1 8.503 0.02 . 1 . . . . . 619 GLU H . 15618 1 1193 . 1 1 97 97 GLU HA H 1 3.497 0.02 . 1 . . . . . 619 GLU HA . 15618 1 1194 . 1 1 97 97 GLU HB2 H 1 1.904 0.02 . 2 . . . . . 619 GLU HB2 . 15618 1 1195 . 1 1 97 97 GLU HB3 H 1 1.157 0.02 . 2 . . . . . 619 GLU HB3 . 15618 1 1196 . 1 1 97 97 GLU HG2 H 1 2.167 0.02 . 2 . . . . . 619 GLU HG2 . 15618 1 1197 . 1 1 97 97 GLU HG3 H 1 1.841 0.02 . 2 . . . . . 619 GLU HG3 . 15618 1 1198 . 1 1 97 97 GLU CA C 13 58.251 0.40 . 1 . . . . . 619 GLU CA . 15618 1 1199 . 1 1 97 97 GLU CB C 13 29.073 0.40 . 1 . . . . . 619 GLU CB . 15618 1 1200 . 1 1 97 97 GLU CG C 13 36.364 0.40 . 1 . . . . . 619 GLU CG . 15618 1 1201 . 1 1 97 97 GLU N N 15 118.988 0.40 . 1 . . . . . 619 GLU N . 15618 1 1202 . 1 1 98 98 ALA H H 1 8.311 0.02 . 1 . . . . . 620 ALA H . 15618 1 1203 . 1 1 98 98 ALA HA H 1 4.211 0.02 . 1 . . . . . 620 ALA HA . 15618 1 1204 . 1 1 98 98 ALA HB1 H 1 1.454 0.02 . 1 . . . . . 620 ALA QB . 15618 1 1205 . 1 1 98 98 ALA HB2 H 1 1.454 0.02 . 1 . . . . . 620 ALA QB . 15618 1 1206 . 1 1 98 98 ALA HB3 H 1 1.454 0.02 . 1 . . . . . 620 ALA QB . 15618 1 1207 . 1 1 98 98 ALA CA C 13 54.717 0.40 . 1 . . . . . 620 ALA CA . 15618 1 1208 . 1 1 98 98 ALA CB C 13 18.635 0.40 . 1 . . . . . 620 ALA CB . 15618 1 1209 . 1 1 98 98 ALA N N 15 121.102 0.40 . 1 . . . . . 620 ALA N . 15618 1 1210 . 1 1 99 99 ALA H H 1 8.570 0.02 . 1 . . . . . 621 ALA H . 15618 1 1211 . 1 1 99 99 ALA HA H 1 3.831 0.02 . 1 . . . . . 621 ALA HA . 15618 1 1212 . 1 1 99 99 ALA HB1 H 1 1.052 0.02 . 1 . . . . . 621 ALA QB . 15618 1 1213 . 1 1 99 99 ALA HB2 H 1 1.052 0.02 . 1 . . . . . 621 ALA QB . 15618 1 1214 . 1 1 99 99 ALA HB3 H 1 1.052 0.02 . 1 . . . . . 621 ALA QB . 15618 1 1215 . 1 1 99 99 ALA CA C 13 55.004 0.40 . 1 . . . . . 621 ALA CA . 15618 1 1216 . 1 1 99 99 ALA CB C 13 18.548 0.40 . 1 . . . . . 621 ALA CB . 15618 1 1217 . 1 1 99 99 ALA N N 15 121.431 0.40 . 1 . . . . . 621 ALA N . 15618 1 1218 . 1 1 100 100 ARG H H 1 7.646 0.02 . 1 . . . . . 622 ARG H . 15618 1 1219 . 1 1 100 100 ARG HA H 1 3.636 0.02 . 1 . . . . . 622 ARG HA . 15618 1 1220 . 1 1 100 100 ARG HB2 H 1 1.725 0.02 . 2 . . . . . 622 ARG QB . 15618 1 1221 . 1 1 100 100 ARG HB3 H 1 1.725 0.02 . 2 . . . . . 622 ARG QB . 15618 1 1222 . 1 1 100 100 ARG HD2 H 1 3.037 0.02 . 2 . . . . . 622 ARG HD2 . 15618 1 1223 . 1 1 100 100 ARG HD3 H 1 2.989 0.02 . 2 . . . . . 622 ARG HD3 . 15618 1 1224 . 1 1 100 100 ARG HG2 H 1 1.357 0.02 . 2 . . . . . 622 ARG HG2 . 15618 1 1225 . 1 1 100 100 ARG HG3 H 1 1.590 0.02 . 2 . . . . . 622 ARG HG3 . 15618 1 1226 . 1 1 100 100 ARG CA C 13 59.556 0.40 . 1 . . . . . 622 ARG CA . 15618 1 1227 . 1 1 100 100 ARG CB C 13 29.420 0.40 . 1 . . . . . 622 ARG CB . 15618 1 1228 . 1 1 100 100 ARG CD C 13 43.293 0.40 . 1 . . . . . 622 ARG CD . 15618 1 1229 . 1 1 100 100 ARG CG C 13 27.690 0.40 . 1 . . . . . 622 ARG CG . 15618 1 1230 . 1 1 100 100 ARG N N 15 114.812 0.40 . 1 . . . . . 622 ARG N . 15618 1 1231 . 1 1 101 101 CYS H H 1 7.503 0.02 . 1 . . . . . 623 CYS H . 15618 1 1232 . 1 1 101 101 CYS HA H 1 4.081 0.02 . 1 . . . . . 623 CYS HA . 15618 1 1233 . 1 1 101 101 CYS HB2 H 1 2.965 0.02 . 2 . . . . . 623 CYS HB2 . 15618 1 1234 . 1 1 101 101 CYS HB3 H 1 2.734 0.02 . 2 . . . . . 623 CYS HB3 . 15618 1 1235 . 1 1 101 101 CYS CA C 13 62.364 0.40 . 1 . . . . . 623 CYS CA . 15618 1 1236 . 1 1 101 101 CYS CB C 13 26.301 0.40 . 1 . . . . . 623 CYS CB . 15618 1 1237 . 1 1 101 101 CYS N N 15 118.667 0.40 . 1 . . . . . 623 CYS N . 15618 1 1238 . 1 1 102 102 MET H H 1 8.332 0.02 . 1 . . . . . 624 MET H . 15618 1 1239 . 1 1 102 102 MET HA H 1 4.165 0.02 . 1 . . . . . 624 MET HA . 15618 1 1240 . 1 1 102 102 MET HB2 H 1 2.428 0.02 . 2 . . . . . 624 MET QB . 15618 1 1241 . 1 1 102 102 MET HB3 H 1 2.428 0.02 . 2 . . . . . 624 MET QB . 15618 1 1242 . 1 1 102 102 MET HE1 H 1 1.891 0.02 . 1 . . . . . 624 MET QE . 15618 1 1243 . 1 1 102 102 MET HE2 H 1 1.891 0.02 . 1 . . . . . 624 MET QE . 15618 1 1244 . 1 1 102 102 MET HE3 H 1 1.891 0.02 . 1 . . . . . 624 MET QE . 15618 1 1245 . 1 1 102 102 MET HG2 H 1 2.871 0.02 . 2 . . . . . 624 MET QG . 15618 1 1246 . 1 1 102 102 MET HG3 H 1 2.871 0.02 . 2 . . . . . 624 MET QG . 15618 1 1247 . 1 1 102 102 MET CA C 13 55.808 0.40 . 1 . . . . . 624 MET CA . 15618 1 1248 . 1 1 102 102 MET CB C 13 30.500 0.40 . 1 . . . . . 624 MET CB . 15618 1 1249 . 1 1 102 102 MET CE C 13 17.948 0.40 . 1 . . . . . 624 MET CE . 15618 1 1250 . 1 1 102 102 MET CG C 13 33.060 0.40 . 1 . . . . . 624 MET CG . 15618 1 1251 . 1 1 102 102 MET N N 15 119.480 0.40 . 1 . . . . . 624 MET N . 15618 1 1252 . 1 1 103 103 ARG H H 1 7.505 0.02 . 1 . . . . . 625 ARG H . 15618 1 1253 . 1 1 103 103 ARG HA H 1 4.022 0.02 . 1 . . . . . 625 ARG HA . 15618 1 1254 . 1 1 103 103 ARG HB2 H 1 1.888 0.02 . 2 . . . . . 625 ARG HB2 . 15618 1 1255 . 1 1 103 103 ARG HB3 H 1 1.789 0.02 . 2 . . . . . 625 ARG HB3 . 15618 1 1256 . 1 1 103 103 ARG HD2 H 1 3.160 0.02 . 2 . . . . . 625 ARG QD . 15618 1 1257 . 1 1 103 103 ARG HD3 H 1 3.160 0.02 . 2 . . . . . 625 ARG QD . 15618 1 1258 . 1 1 103 103 ARG HG2 H 1 1.987 0.02 . 2 . . . . . 625 ARG HG2 . 15618 1 1259 . 1 1 103 103 ARG HG3 H 1 1.665 0.02 . 2 . . . . . 625 ARG HG3 . 15618 1 1260 . 1 1 103 103 ARG CA C 13 58.658 0.40 . 1 . . . . . 625 ARG CA . 15618 1 1261 . 1 1 103 103 ARG CB C 13 30.413 0.40 . 1 . . . . . 625 ARG CB . 15618 1 1262 . 1 1 103 103 ARG CD C 13 43.797 0.40 . 1 . . . . . 625 ARG CD . 15618 1 1263 . 1 1 103 103 ARG CG C 13 27.420 0.40 . 1 . . . . . 625 ARG CG . 15618 1 1264 . 1 1 103 103 ARG N N 15 120.614 0.40 . 1 . . . . . 625 ARG N . 15618 1 1265 . 1 1 104 104 SER H H 1 7.635 0.02 . 1 . . . . . 626 SER H . 15618 1 1266 . 1 1 104 104 SER HA H 1 4.278 0.02 . 1 . . . . . 626 SER HA . 15618 1 1267 . 1 1 104 104 SER HB2 H 1 3.905 0.02 . 2 . . . . . 626 SER QB . 15618 1 1268 . 1 1 104 104 SER HB3 H 1 3.905 0.02 . 2 . . . . . 626 SER QB . 15618 1 1269 . 1 1 104 104 SER CA C 13 58.925 0.40 . 1 . . . . . 626 SER CA . 15618 1 1270 . 1 1 104 104 SER CB C 13 63.785 0.40 . 1 . . . . . 626 SER CB . 15618 1 1271 . 1 1 104 104 SER N N 15 111.144 0.40 . 1 . . . . . 626 SER N . 15618 1 1272 . 1 1 105 105 LEU H H 1 7.602 0.02 . 1 . . . . . 627 LEU H . 15618 1 1273 . 1 1 105 105 LEU HA H 1 4.387 0.02 . 1 . . . . . 627 LEU HA . 15618 1 1274 . 1 1 105 105 LEU HB2 H 1 2.190 0.02 . 2 . . . . . 627 LEU HB2 . 15618 1 1275 . 1 1 105 105 LEU HB3 H 1 1.181 0.02 . 2 . . . . . 627 LEU HB3 . 15618 1 1276 . 1 1 105 105 LEU HD11 H 1 0.735 0.02 . 2 . . . . . 627 LEU QD1 . 15618 1 1277 . 1 1 105 105 LEU HD12 H 1 0.735 0.02 . 2 . . . . . 627 LEU QD1 . 15618 1 1278 . 1 1 105 105 LEU HD13 H 1 0.735 0.02 . 2 . . . . . 627 LEU QD1 . 15618 1 1279 . 1 1 105 105 LEU HD21 H 1 0.842 0.02 . 2 . . . . . 627 LEU QD2 . 15618 1 1280 . 1 1 105 105 LEU HD22 H 1 0.842 0.02 . 2 . . . . . 627 LEU QD2 . 15618 1 1281 . 1 1 105 105 LEU HD23 H 1 0.842 0.02 . 2 . . . . . 627 LEU QD2 . 15618 1 1282 . 1 1 105 105 LEU HG H 1 1.553 0.02 . 1 . . . . . 627 LEU HG . 15618 1 1283 . 1 1 105 105 LEU CA C 13 55.025 0.40 . 1 . . . . . 627 LEU CA . 15618 1 1284 . 1 1 105 105 LEU CB C 13 42.360 0.40 . 1 . . . . . 627 LEU CB . 15618 1 1285 . 1 1 105 105 LEU CD1 C 13 26.439 0.40 . 2 . . . . . 627 LEU CD1 . 15618 1 1286 . 1 1 105 105 LEU CD2 C 13 24.244 0.40 . 2 . . . . . 627 LEU CD2 . 15618 1 1287 . 1 1 105 105 LEU CG C 13 26.962 0.40 . 1 . . . . . 627 LEU CG . 15618 1 1288 . 1 1 105 105 LEU N N 15 125.064 0.40 . 1 . . . . . 627 LEU N . 15618 1 1289 . 1 1 106 106 LYS H H 1 9.724 0.02 . 1 . . . . . 628 LYS H . 15618 1 1290 . 1 1 106 106 LYS HA H 1 4.244 0.02 . 1 . . . . . 628 LYS HA . 15618 1 1291 . 1 1 106 106 LYS HB2 H 1 1.738 0.02 . 2 . . . . . 628 LYS HB2 . 15618 1 1292 . 1 1 106 106 LYS HB3 H 1 1.440 0.02 . 2 . . . . . 628 LYS HB3 . 15618 1 1293 . 1 1 106 106 LYS HD2 H 1 1.492 0.02 . 2 . . . . . 628 LYS QD . 15618 1 1294 . 1 1 106 106 LYS HD3 H 1 1.492 0.02 . 2 . . . . . 628 LYS QD . 15618 1 1295 . 1 1 106 106 LYS HE2 H 1 2.858 0.02 . 2 . . . . . 628 LYS QE . 15618 1 1296 . 1 1 106 106 LYS HE3 H 1 2.858 0.02 . 2 . . . . . 628 LYS QE . 15618 1 1297 . 1 1 106 106 LYS HG2 H 1 1.236 0.02 . 2 . . . . . 628 LYS HG2 . 15618 1 1298 . 1 1 106 106 LYS HG3 H 1 1.345 0.02 . 2 . . . . . 628 LYS HG3 . 15618 1 1299 . 1 1 106 106 LYS CA C 13 54.781 0.40 . 1 . . . . . 628 LYS CA . 15618 1 1300 . 1 1 106 106 LYS CB C 13 33.456 0.40 . 1 . . . . . 628 LYS CB . 15618 1 1301 . 1 1 106 106 LYS CD C 13 28.532 0.40 . 1 . . . . . 628 LYS CD . 15618 1 1302 . 1 1 106 106 LYS CE C 13 42.082 0.40 . 1 . . . . . 628 LYS CE . 15618 1 1303 . 1 1 106 106 LYS CG C 13 24.488 0.40 . 1 . . . . . 628 LYS CG . 15618 1 1304 . 1 1 106 106 LYS N N 15 128.616 0.40 . 1 . . . . . 628 LYS N . 15618 1 1305 . 1 1 107 107 ALA H H 1 6.593 0.02 . 1 . . . . . 629 ALA H . 15618 1 1306 . 1 1 107 107 ALA HA H 1 4.420 0.02 . 1 . . . . . 629 ALA HA . 15618 1 1307 . 1 1 107 107 ALA HB1 H 1 1.153 0.02 . 1 . . . . . 629 ALA QB . 15618 1 1308 . 1 1 107 107 ALA HB2 H 1 1.153 0.02 . 1 . . . . . 629 ALA QB . 15618 1 1309 . 1 1 107 107 ALA HB3 H 1 1.153 0.02 . 1 . . . . . 629 ALA QB . 15618 1 1310 . 1 1 107 107 ALA CA C 13 50.003 0.40 . 1 . . . . . 629 ALA CA . 15618 1 1311 . 1 1 107 107 ALA CB C 13 17.219 0.40 . 1 . . . . . 629 ALA CB . 15618 1 1312 . 1 1 107 107 ALA N N 15 124.084 0.40 . 1 . . . . . 629 ALA N . 15618 1 1313 . 1 1 108 108 PRO HA H 1 4.302 0.02 . 1 . . . . . 630 PRO HA . 15618 1 1314 . 1 1 108 108 PRO HB2 H 1 2.218 0.02 . 2 . . . . . 630 PRO HB2 . 15618 1 1315 . 1 1 108 108 PRO HB3 H 1 1.757 0.02 . 2 . . . . . 630 PRO HB3 . 15618 1 1316 . 1 1 108 108 PRO HD2 H 1 3.700 0.02 . 2 . . . . . 630 PRO HD2 . 15618 1 1317 . 1 1 108 108 PRO HD3 H 1 3.035 0.02 . 2 . . . . . 630 PRO HD3 . 15618 1 1318 . 1 1 108 108 PRO HG2 H 1 1.931 0.02 . 2 . . . . . 630 PRO QG . 15618 1 1319 . 1 1 108 108 PRO HG3 H 1 1.931 0.02 . 2 . . . . . 630 PRO QG . 15618 1 1320 . 1 1 108 108 PRO CA C 13 62.816 0.40 . 1 . . . . . 630 PRO CA . 15618 1 1321 . 1 1 108 108 PRO CB C 13 31.743 0.40 . 1 . . . . . 630 PRO CB . 15618 1 1322 . 1 1 108 108 PRO CD C 13 49.546 0.40 . 1 . . . . . 630 PRO CD . 15618 1 1323 . 1 1 108 108 PRO CG C 13 27.892 0.40 . 1 . . . . . 630 PRO CG . 15618 1 1324 . 1 1 109 109 ALA H H 1 7.898 0.02 . 1 . . . . . 631 ALA H . 15618 1 1325 . 1 1 109 109 ALA HA H 1 5.092 0.02 . 1 . . . . . 631 ALA HA . 15618 1 1326 . 1 1 109 109 ALA HB1 H 1 0.977 0.02 . 1 . . . . . 631 ALA QB . 15618 1 1327 . 1 1 109 109 ALA HB2 H 1 0.977 0.02 . 1 . . . . . 631 ALA QB . 15618 1 1328 . 1 1 109 109 ALA HB3 H 1 0.977 0.02 . 1 . . . . . 631 ALA QB . 15618 1 1329 . 1 1 109 109 ALA CA C 13 50.966 0.40 . 1 . . . . . 631 ALA CA . 15618 1 1330 . 1 1 109 109 ALA CB C 13 22.217 0.40 . 1 . . . . . 631 ALA CB . 15618 1 1331 . 1 1 109 109 ALA N N 15 122.466 0.40 . 1 . . . . . 631 ALA N . 15618 1 1332 . 1 1 110 110 VAL H H 1 8.071 0.02 . 1 . . . . . 632 VAL H . 15618 1 1333 . 1 1 110 110 VAL HA H 1 4.167 0.02 . 1 . . . . . 632 VAL HA . 15618 1 1334 . 1 1 110 110 VAL HB H 1 1.694 0.02 . 1 . . . . . 632 VAL HB . 15618 1 1335 . 1 1 110 110 VAL HG11 H 1 0.722 0.02 . 2 . . . . . 632 VAL QG1 . 15618 1 1336 . 1 1 110 110 VAL HG12 H 1 0.722 0.02 . 2 . . . . . 632 VAL QG1 . 15618 1 1337 . 1 1 110 110 VAL HG13 H 1 0.722 0.02 . 2 . . . . . 632 VAL QG1 . 15618 1 1338 . 1 1 110 110 VAL HG21 H 1 0.255 0.02 . 2 . . . . . 632 VAL QG2 . 15618 1 1339 . 1 1 110 110 VAL HG22 H 1 0.255 0.02 . 2 . . . . . 632 VAL QG2 . 15618 1 1340 . 1 1 110 110 VAL HG23 H 1 0.255 0.02 . 2 . . . . . 632 VAL QG2 . 15618 1 1341 . 1 1 110 110 VAL CA C 13 61.685 0.40 . 1 . . . . . 632 VAL CA . 15618 1 1342 . 1 1 110 110 VAL CB C 13 32.856 0.40 . 1 . . . . . 632 VAL CB . 15618 1 1343 . 1 1 110 110 VAL CG1 C 13 21.443 0.40 . 2 . . . . . 632 VAL CG1 . 15618 1 1344 . 1 1 110 110 VAL CG2 C 13 21.436 0.40 . 2 . . . . . 632 VAL CG2 . 15618 1 1345 . 1 1 110 110 VAL N N 15 125.531 0.40 . 1 . . . . . 632 VAL N . 15618 1 1346 . 1 1 111 111 VAL H H 1 8.182 0.02 . 1 . . . . . 633 VAL H . 15618 1 1347 . 1 1 111 111 VAL HA H 1 4.731 0.02 . 1 . . . . . 633 VAL HA . 15618 1 1348 . 1 1 111 111 VAL HB H 1 1.694 0.02 . 1 . . . . . 633 VAL HB . 15618 1 1349 . 1 1 111 111 VAL HG11 H 1 0.604 0.02 . 2 . . . . . 633 VAL QG1 . 15618 1 1350 . 1 1 111 111 VAL HG12 H 1 0.604 0.02 . 2 . . . . . 633 VAL QG1 . 15618 1 1351 . 1 1 111 111 VAL HG13 H 1 0.604 0.02 . 2 . . . . . 633 VAL QG1 . 15618 1 1352 . 1 1 111 111 VAL HG21 H 1 0.330 0.02 . 2 . . . . . 633 VAL QG2 . 15618 1 1353 . 1 1 111 111 VAL HG22 H 1 0.330 0.02 . 2 . . . . . 633 VAL QG2 . 15618 1 1354 . 1 1 111 111 VAL HG23 H 1 0.330 0.02 . 2 . . . . . 633 VAL QG2 . 15618 1 1355 . 1 1 111 111 VAL CA C 13 59.473 0.40 . 1 . . . . . 633 VAL CA . 15618 1 1356 . 1 1 111 111 VAL CB C 13 32.919 0.40 . 1 . . . . . 633 VAL CB . 15618 1 1357 . 1 1 111 111 VAL CG1 C 13 21.396 0.40 . 2 . . . . . 633 VAL CG1 . 15618 1 1358 . 1 1 111 111 VAL CG2 C 13 20.041 0.40 . 2 . . . . . 633 VAL CG2 . 15618 1 1359 . 1 1 111 111 VAL N N 15 128.148 0.40 . 1 . . . . . 633 VAL N . 15618 1 1360 . 1 1 112 112 SER H H 1 8.591 0.02 . 1 . . . . . 634 SER H . 15618 1 1361 . 1 1 112 112 SER HA H 1 4.920 0.02 . 1 . . . . . 634 SER HA . 15618 1 1362 . 1 1 112 112 SER HB2 H 1 3.802 0.02 . 2 . . . . . 634 SER HB2 . 15618 1 1363 . 1 1 112 112 SER HB3 H 1 2.955 0.02 . 2 . . . . . 634 SER HB3 . 15618 1 1364 . 1 1 112 112 SER CA C 13 53.905 0.40 . 1 . . . . . 634 SER CA . 15618 1 1365 . 1 1 112 112 SER CB C 13 64.651 0.40 . 1 . . . . . 634 SER CB . 15618 1 1366 . 1 1 112 112 SER N N 15 119.276 0.40 . 1 . . . . . 634 SER N . 15618 1 1367 . 1 1 113 113 VAL H H 1 8.503 0.02 . 1 . . . . . 635 VAL H . 15618 1 1368 . 1 1 113 113 VAL HA H 1 4.522 0.02 . 1 . . . . . 635 VAL HA . 15618 1 1369 . 1 1 113 113 VAL HB H 1 2.069 0.02 . 1 . . . . . 635 VAL HB . 15618 1 1370 . 1 1 113 113 VAL HG11 H 1 0.480 0.02 . 2 . . . . . 635 VAL QG1 . 15618 1 1371 . 1 1 113 113 VAL HG12 H 1 0.480 0.02 . 2 . . . . . 635 VAL QG1 . 15618 1 1372 . 1 1 113 113 VAL HG13 H 1 0.480 0.02 . 2 . . . . . 635 VAL QG1 . 15618 1 1373 . 1 1 113 113 VAL HG21 H 1 0.224 0.02 . 2 . . . . . 635 VAL QG2 . 15618 1 1374 . 1 1 113 113 VAL HG22 H 1 0.224 0.02 . 2 . . . . . 635 VAL QG2 . 15618 1 1375 . 1 1 113 113 VAL HG23 H 1 0.224 0.02 . 2 . . . . . 635 VAL QG2 . 15618 1 1376 . 1 1 113 113 VAL CA C 13 59.398 0.40 . 1 . . . . . 635 VAL CA . 15618 1 1377 . 1 1 113 113 VAL CB C 13 32.548 0.40 . 1 . . . . . 635 VAL CB . 15618 1 1378 . 1 1 113 113 VAL CG1 C 13 19.407 0.40 . 2 . . . . . 635 VAL CG1 . 15618 1 1379 . 1 1 113 113 VAL CG2 C 13 21.533 0.40 . 2 . . . . . 635 VAL CG2 . 15618 1 1380 . 1 1 113 113 VAL N N 15 118.886 0.40 . 1 . . . . . 635 VAL N . 15618 1 1381 . 1 1 114 114 SER H H 1 8.263 0.02 . 1 . . . . . 636 SER H . 15618 1 1382 . 1 1 114 114 SER HA H 1 3.940 0.02 . 1 . . . . . 636 SER HA . 15618 1 1383 . 1 1 114 114 SER HB2 H 1 4.026 0.02 . 2 . . . . . 636 SER HB2 . 15618 1 1384 . 1 1 114 114 SER HB3 H 1 3.953 0.02 . 2 . . . . . 636 SER HB3 . 15618 1 1385 . 1 1 114 114 SER CA C 13 61.597 0.40 . 1 . . . . . 636 SER CA . 15618 1 1386 . 1 1 114 114 SER CB C 13 63.321 0.40 . 1 . . . . . 636 SER CB . 15618 1 1387 . 1 1 114 114 SER N N 15 112.710 0.40 . 1 . . . . . 636 SER N . 15618 1 1388 . 1 1 115 115 SER H H 1 7.269 0.02 . 1 . . . . . 637 SER H . 15618 1 1389 . 1 1 115 115 SER HA H 1 4.956 0.02 . 1 . . . . . 637 SER HA . 15618 1 1390 . 1 1 115 115 SER HB2 H 1 4.080 0.02 . 2 . . . . . 637 SER HB2 . 15618 1 1391 . 1 1 115 115 SER HB3 H 1 3.777 0.02 . 2 . . . . . 637 SER HB3 . 15618 1 1392 . 1 1 115 115 SER CA C 13 55.674 0.40 . 1 . . . . . 637 SER CA . 15618 1 1393 . 1 1 115 115 SER CB C 13 64.074 0.40 . 1 . . . . . 637 SER CB . 15618 1 1394 . 1 1 115 115 SER N N 15 114.537 0.40 . 1 . . . . . 637 SER N . 15618 1 1395 . 1 1 116 116 PRO HA H 1 4.186 0.02 . 1 . . . . . 638 PRO HA . 15618 1 1396 . 1 1 116 116 PRO HB2 H 1 2.383 0.02 . 2 . . . . . 638 PRO HB2 . 15618 1 1397 . 1 1 116 116 PRO HB3 H 1 1.960 0.02 . 2 . . . . . 638 PRO HB3 . 15618 1 1398 . 1 1 116 116 PRO HD2 H 1 3.878 0.02 . 2 . . . . . 638 PRO HD2 . 15618 1 1399 . 1 1 116 116 PRO HD3 H 1 3.831 0.02 . 2 . . . . . 638 PRO HD3 . 15618 1 1400 . 1 1 116 116 PRO HG2 H 1 2.131 0.02 . 2 . . . . . 638 PRO HG2 . 15618 1 1401 . 1 1 116 116 PRO HG3 H 1 2.017 0.02 . 2 . . . . . 638 PRO HG3 . 15618 1 1402 . 1 1 116 116 PRO CA C 13 65.021 0.40 . 1 . . . . . 638 PRO CA . 15618 1 1403 . 1 1 116 116 PRO CB C 13 31.908 0.40 . 1 . . . . . 638 PRO CB . 15618 1 1404 . 1 1 116 116 PRO CD C 13 50.697 0.40 . 1 . . . . . 638 PRO CD . 15618 1 1405 . 1 1 116 116 PRO CG C 13 27.752 0.40 . 1 . . . . . 638 PRO CG . 15618 1 1406 . 1 1 117 117 ASP H H 1 8.161 0.02 . 1 . . . . . 639 ASP H . 15618 1 1407 . 1 1 117 117 ASP HA H 1 4.359 0.02 . 1 . . . . . 639 ASP HA . 15618 1 1408 . 1 1 117 117 ASP HB2 H 1 2.595 0.02 . 2 . . . . . 639 ASP HB2 . 15618 1 1409 . 1 1 117 117 ASP HB3 H 1 2.505 0.02 . 2 . . . . . 639 ASP HB3 . 15618 1 1410 . 1 1 117 117 ASP CA C 13 55.928 0.40 . 1 . . . . . 639 ASP CA . 15618 1 1411 . 1 1 117 117 ASP CB C 13 40.088 0.40 . 1 . . . . . 639 ASP CB . 15618 1 1412 . 1 1 117 117 ASP N N 15 116.310 0.40 . 1 . . . . . 639 ASP N . 15618 1 1413 . 1 1 118 118 ALA H H 1 7.596 0.02 . 1 . . . . . 640 ALA H . 15618 1 1414 . 1 1 118 118 ALA HA H 1 4.225 0.02 . 1 . . . . . 640 ALA HA . 15618 1 1415 . 1 1 118 118 ALA HB1 H 1 1.362 0.02 . 1 . . . . . 640 ALA QB . 15618 1 1416 . 1 1 118 118 ALA HB2 H 1 1.362 0.02 . 1 . . . . . 640 ALA QB . 15618 1 1417 . 1 1 118 118 ALA HB3 H 1 1.362 0.02 . 1 . . . . . 640 ALA QB . 15618 1 1418 . 1 1 118 118 ALA CA C 13 52.964 0.40 . 1 . . . . . 640 ALA CA . 15618 1 1419 . 1 1 118 118 ALA CB C 13 18.334 0.40 . 1 . . . . . 640 ALA CB . 15618 1 1420 . 1 1 118 118 ALA N N 15 121.066 0.40 . 1 . . . . . 640 ALA N . 15618 1 1421 . 1 1 119 119 VAL H H 1 7.280 0.02 . 1 . . . . . 641 VAL H . 15618 1 1422 . 1 1 119 119 VAL HA H 1 3.221 0.02 . 1 . . . . . 641 VAL HA . 15618 1 1423 . 1 1 119 119 VAL HB H 1 2.124 0.02 . 1 . . . . . 641 VAL HB . 15618 1 1424 . 1 1 119 119 VAL HG11 H 1 0.658 0.02 . 2 . . . . . 641 VAL QG1 . 15618 1 1425 . 1 1 119 119 VAL HG12 H 1 0.658 0.02 . 2 . . . . . 641 VAL QG1 . 15618 1 1426 . 1 1 119 119 VAL HG13 H 1 0.658 0.02 . 2 . . . . . 641 VAL QG1 . 15618 1 1427 . 1 1 119 119 VAL HG21 H 1 0.674 0.02 . 2 . . . . . 641 VAL QG2 . 15618 1 1428 . 1 1 119 119 VAL HG22 H 1 0.674 0.02 . 2 . . . . . 641 VAL QG2 . 15618 1 1429 . 1 1 119 119 VAL HG23 H 1 0.674 0.02 . 2 . . . . . 641 VAL QG2 . 15618 1 1430 . 1 1 119 119 VAL CA C 13 66.608 0.40 . 1 . . . . . 641 VAL CA . 15618 1 1431 . 1 1 119 119 VAL CB C 13 31.436 0.40 . 1 . . . . . 641 VAL CB . 15618 1 1432 . 1 1 119 119 VAL CG1 C 13 20.801 0.40 . 2 . . . . . 641 VAL CG1 . 15618 1 1433 . 1 1 119 119 VAL CG2 C 13 22.386 0.40 . 2 . . . . . 641 VAL CG2 . 15618 1 1434 . 1 1 119 119 VAL N N 15 120.886 0.40 . 1 . . . . . 641 VAL N . 15618 1 1435 . 1 1 120 120 THR H H 1 7.475 0.02 . 1 . . . . . 642 THR H . 15618 1 1436 . 1 1 120 120 THR HA H 1 3.840 0.02 . 1 . . . . . 642 THR HA . 15618 1 1437 . 1 1 120 120 THR HB H 1 4.099 0.02 . 1 . . . . . 642 THR HB . 15618 1 1438 . 1 1 120 120 THR HG21 H 1 1.126 0.02 . 1 . . . . . 642 THR QG2 . 15618 1 1439 . 1 1 120 120 THR HG22 H 1 1.126 0.02 . 1 . . . . . 642 THR QG2 . 15618 1 1440 . 1 1 120 120 THR HG23 H 1 1.126 0.02 . 1 . . . . . 642 THR QG2 . 15618 1 1441 . 1 1 120 120 THR CA C 13 65.297 0.40 . 1 . . . . . 642 THR CA . 15618 1 1442 . 1 1 120 120 THR CB C 13 68.042 0.40 . 1 . . . . . 642 THR CB . 15618 1 1443 . 1 1 120 120 THR CG2 C 13 21.431 0.40 . 1 . . . . . 642 THR CG2 . 15618 1 1444 . 1 1 120 120 THR N N 15 112.821 0.40 . 1 . . . . . 642 THR N . 15618 1 1445 . 1 1 121 121 THR H H 1 7.328 0.02 . 1 . . . . . 643 THR H . 15618 1 1446 . 1 1 121 121 THR HA H 1 3.477 0.02 . 1 . . . . . 643 THR HA . 15618 1 1447 . 1 1 121 121 THR HB H 1 3.809 0.02 . 1 . . . . . 643 THR HB . 15618 1 1448 . 1 1 121 121 THR HG21 H 1 0.971 0.02 . 1 . . . . . 643 THR QG2 . 15618 1 1449 . 1 1 121 121 THR HG22 H 1 0.971 0.02 . 1 . . . . . 643 THR QG2 . 15618 1 1450 . 1 1 121 121 THR HG23 H 1 0.971 0.02 . 1 . . . . . 643 THR QG2 . 15618 1 1451 . 1 1 121 121 THR CA C 13 65.341 0.40 . 1 . . . . . 643 THR CA . 15618 1 1452 . 1 1 121 121 THR CB C 13 68.196 0.40 . 1 . . . . . 643 THR CB . 15618 1 1453 . 1 1 121 121 THR CG2 C 13 22.361 0.40 . 1 . . . . . 643 THR CG2 . 15618 1 1454 . 1 1 121 121 THR N N 15 119.194 0.40 . 1 . . . . . 643 THR N . 15618 1 1455 . 1 1 122 122 TYR H H 1 8.766 0.02 . 1 . . . . . 644 TYR H . 15618 1 1456 . 1 1 122 122 TYR HA H 1 3.764 0.02 . 1 . . . . . 644 TYR HA . 15618 1 1457 . 1 1 122 122 TYR HB2 H 1 2.961 0.02 . 2 . . . . . 644 TYR HB2 . 15618 1 1458 . 1 1 122 122 TYR HB3 H 1 2.876 0.02 . 2 . . . . . 644 TYR HB3 . 15618 1 1459 . 1 1 122 122 TYR HD1 H 1 6.870 0.02 . 3 . . . . . 644 TYR QD . 15618 1 1460 . 1 1 122 122 TYR HD2 H 1 6.870 0.02 . 3 . . . . . 644 TYR QD . 15618 1 1461 . 1 1 122 122 TYR HE1 H 1 6.399 0.02 . 3 . . . . . 644 TYR QE . 15618 1 1462 . 1 1 122 122 TYR HE2 H 1 6.399 0.02 . 3 . . . . . 644 TYR QE . 15618 1 1463 . 1 1 122 122 TYR CA C 13 62.340 0.40 . 1 . . . . . 644 TYR CA . 15618 1 1464 . 1 1 122 122 TYR CB C 13 39.106 0.40 . 1 . . . . . 644 TYR CB . 15618 1 1465 . 1 1 122 122 TYR CD1 C 13 133.156 0.40 . 3 . . . . . 644 TYR CD1 . 15618 1 1466 . 1 1 122 122 TYR CE1 C 13 117.221 0.40 . 3 . . . . . 644 TYR CE1 . 15618 1 1467 . 1 1 122 122 TYR N N 15 122.838 0.40 . 1 . . . . . 644 TYR N . 15618 1 1468 . 1 1 123 123 ASN H H 1 8.290 0.02 . 1 . . . . . 645 ASN H . 15618 1 1469 . 1 1 123 123 ASN HA H 1 4.299 0.02 . 1 . . . . . 645 ASN HA . 15618 1 1470 . 1 1 123 123 ASN HB2 H 1 2.773 0.02 . 2 . . . . . 645 ASN HB2 . 15618 1 1471 . 1 1 123 123 ASN HB3 H 1 2.664 0.02 . 2 . . . . . 645 ASN HB3 . 15618 1 1472 . 1 1 123 123 ASN HD21 H 1 7.505 0.02 . 2 . . . . . 645 ASN HD21 . 15618 1 1473 . 1 1 123 123 ASN HD22 H 1 6.794 0.02 . 2 . . . . . 645 ASN HD22 . 15618 1 1474 . 1 1 123 123 ASN CA C 13 55.018 0.40 . 1 . . . . . 645 ASN CA . 15618 1 1475 . 1 1 123 123 ASN CB C 13 36.967 0.40 . 1 . . . . . 645 ASN CB . 15618 1 1476 . 1 1 123 123 ASN N N 15 116.356 0.40 . 1 . . . . . 645 ASN N . 15618 1 1477 . 1 1 123 123 ASN ND2 N 15 110.268 0.40 . 1 . . . . . 645 ASN ND2 . 15618 1 1478 . 1 1 124 124 GLY H H 1 7.768 0.02 . 1 . . . . . 646 GLY H . 15618 1 1479 . 1 1 124 124 GLY HA2 H 1 3.639 0.02 . 2 . . . . . 646 GLY HA2 . 15618 1 1480 . 1 1 124 124 GLY HA3 H 1 3.707 0.02 . 2 . . . . . 646 GLY HA3 . 15618 1 1481 . 1 1 124 124 GLY CA C 13 46.521 0.40 . 1 . . . . . 646 GLY CA . 15618 1 1482 . 1 1 124 124 GLY N N 15 108.260 0.40 . 1 . . . . . 646 GLY N . 15618 1 1483 . 1 1 125 125 TYR H H 1 7.386 0.02 . 1 . . . . . 647 TYR H . 15618 1 1484 . 1 1 125 125 TYR HA H 1 4.608 0.02 . 1 . . . . . 647 TYR HA . 15618 1 1485 . 1 1 125 125 TYR HB2 H 1 2.986 0.02 . 2 . . . . . 647 TYR HB2 . 15618 1 1486 . 1 1 125 125 TYR HB3 H 1 2.693 0.02 . 2 . . . . . 647 TYR HB3 . 15618 1 1487 . 1 1 125 125 TYR HD1 H 1 6.794 0.02 . 3 . . . . . 647 TYR QD . 15618 1 1488 . 1 1 125 125 TYR HD2 H 1 6.794 0.02 . 3 . . . . . 647 TYR QD . 15618 1 1489 . 1 1 125 125 TYR HE1 H 1 6.538 0.02 . 3 . . . . . 647 TYR QE . 15618 1 1490 . 1 1 125 125 TYR HE2 H 1 6.538 0.02 . 3 . . . . . 647 TYR QE . 15618 1 1491 . 1 1 125 125 TYR CA C 13 57.204 0.40 . 1 . . . . . 647 TYR CA . 15618 1 1492 . 1 1 125 125 TYR CB C 13 37.557 0.40 . 1 . . . . . 647 TYR CB . 15618 1 1493 . 1 1 125 125 TYR CD1 C 13 131.864 0.40 . 3 . . . . . 647 TYR CD1 . 15618 1 1494 . 1 1 125 125 TYR CE1 C 13 118.166 0.40 . 3 . . . . . 647 TYR CE1 . 15618 1 1495 . 1 1 125 125 TYR N N 15 120.587 0.40 . 1 . . . . . 647 TYR N . 15618 1 1496 . 1 1 126 126 LEU H H 1 7.802 0.02 . 1 . . . . . 648 LEU H . 15618 1 1497 . 1 1 126 126 LEU HA H 1 3.801 0.02 . 1 . . . . . 648 LEU HA . 15618 1 1498 . 1 1 126 126 LEU HB2 H 1 1.504 0.02 . 2 . . . . . 648 LEU HB2 . 15618 1 1499 . 1 1 126 126 LEU HB3 H 1 1.470 0.02 . 2 . . . . . 648 LEU HB3 . 15618 1 1500 . 1 1 126 126 LEU HD11 H 1 0.711 0.02 . 2 . . . . . 648 LEU QD1 . 15618 1 1501 . 1 1 126 126 LEU HD12 H 1 0.711 0.02 . 2 . . . . . 648 LEU QD1 . 15618 1 1502 . 1 1 126 126 LEU HD13 H 1 0.711 0.02 . 2 . . . . . 648 LEU QD1 . 15618 1 1503 . 1 1 126 126 LEU HD21 H 1 0.584 0.02 . 2 . . . . . 648 LEU QD2 . 15618 1 1504 . 1 1 126 126 LEU HD22 H 1 0.584 0.02 . 2 . . . . . 648 LEU QD2 . 15618 1 1505 . 1 1 126 126 LEU HD23 H 1 0.584 0.02 . 2 . . . . . 648 LEU QD2 . 15618 1 1506 . 1 1 126 126 LEU HG H 1 1.386 0.02 . 1 . . . . . 648 LEU HG . 15618 1 1507 . 1 1 126 126 LEU CA C 13 56.663 0.40 . 1 . . . . . 648 LEU CA . 15618 1 1508 . 1 1 126 126 LEU CB C 13 42.298 0.40 . 1 . . . . . 648 LEU CB . 15618 1 1509 . 1 1 126 126 LEU CD1 C 13 24.721 0.40 . 2 . . . . . 648 LEU CD1 . 15618 1 1510 . 1 1 126 126 LEU CD2 C 13 23.311 0.40 . 2 . . . . . 648 LEU CD2 . 15618 1 1511 . 1 1 126 126 LEU CG C 13 26.147 0.40 . 1 . . . . . 648 LEU CG . 15618 1 1512 . 1 1 126 126 LEU N N 15 119.234 0.40 . 1 . . . . . 648 LEU N . 15618 1 1513 . 1 1 127 127 THR H H 1 7.473 0.02 . 1 . . . . . 649 THR H . 15618 1 1514 . 1 1 127 127 THR HA H 1 4.238 0.02 . 1 . . . . . 649 THR HA . 15618 1 1515 . 1 1 127 127 THR HB H 1 4.283 0.02 . 1 . . . . . 649 THR HB . 15618 1 1516 . 1 1 127 127 THR HG21 H 1 1.130 0.02 . 1 . . . . . 649 THR QG2 . 15618 1 1517 . 1 1 127 127 THR HG22 H 1 1.130 0.02 . 1 . . . . . 649 THR QG2 . 15618 1 1518 . 1 1 127 127 THR HG23 H 1 1.130 0.02 . 1 . . . . . 649 THR QG2 . 15618 1 1519 . 1 1 127 127 THR CA C 13 61.868 0.40 . 1 . . . . . 649 THR CA . 15618 1 1520 . 1 1 127 127 THR CB C 13 69.451 0.40 . 1 . . . . . 649 THR CB . 15618 1 1521 . 1 1 127 127 THR CG2 C 13 21.289 0.40 . 1 . . . . . 649 THR CG2 . 15618 1 1522 . 1 1 127 127 THR N N 15 108.633 0.40 . 1 . . . . . 649 THR N . 15618 1 1523 . 1 1 128 128 SER H H 1 7.696 0.02 . 1 . . . . . 650 SER H . 15618 1 1524 . 1 1 128 128 SER HA H 1 4.439 0.02 . 1 . . . . . 650 SER HA . 15618 1 1525 . 1 1 128 128 SER HB2 H 1 3.893 0.02 . 2 . . . . . 650 SER HB2 . 15618 1 1526 . 1 1 128 128 SER HB3 H 1 3.867 0.02 . 2 . . . . . 650 SER HB3 . 15618 1 1527 . 1 1 128 128 SER CA C 13 58.451 0.40 . 1 . . . . . 650 SER CA . 15618 1 1528 . 1 1 128 128 SER CB C 13 63.763 0.40 . 1 . . . . . 650 SER CB . 15618 1 1529 . 1 1 128 128 SER N N 15 117.667 0.40 . 1 . . . . . 650 SER N . 15618 1 1530 . 1 1 129 129 SER H H 1 7.990 0.02 . 1 . . . . . 651 SER H . 15618 1 1531 . 1 1 129 129 SER HA H 1 4.186 0.02 . 1 . . . . . 651 SER HA . 15618 1 1532 . 1 1 129 129 SER HB2 H 1 3.766 0.02 . 2 . . . . . 651 SER QB . 15618 1 1533 . 1 1 129 129 SER HB3 H 1 3.766 0.02 . 2 . . . . . 651 SER QB . 15618 1 1534 . 1 1 129 129 SER CA C 13 60.177 0.40 . 1 . . . . . 651 SER CA . 15618 1 1535 . 1 1 129 129 SER CB C 13 64.254 0.40 . 1 . . . . . 651 SER CB . 15618 1 1536 . 1 1 129 129 SER N N 15 123.147 0.40 . 1 . . . . . 651 SER N . 15618 1 stop_ save_