data_30136 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30136 _Entry.Title ; Recognition and targeting mechanisms by chaperones in flagella assembly and operation ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-07-07 _Entry.Accession_date 2016-07-07 _Entry.Last_release_date 2016-08-12 _Entry.Original_release_date 2016-08-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 N. Khanra N. K. . . 30136 2 P. Rossi P. . . . 30136 3 A. Economou A. . . . 30136 4 C. Kalodimos C. G . . 30136 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CHAPERONE . 30136 Flagella . 30136 'assembly factors' . 30136 chaperones . 30136 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30136 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 194 30136 '15N chemical shifts' 103 30136 '1H chemical shifts' 332 30136 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 . . 2017-02-23 2016-07-07 update BMRB 'update entry citation' 30136 1 . . 2016-08-11 2016-07-07 original author 'original release' 30136 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5KS6 'BMRB Entry Tracking System' 30136 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30136 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1073/pnas.1607845113 _Citation.PubMed_ID 27528687 _Citation.Full_citation . _Citation.Title ; Recognition and targeting mechanisms by chaperones in flagellum assembly and operation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 113 _Citation.Journal_issue 35 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _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 9798 _Citation.Page_last 9803 _Citation.Year 2016 _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 N. Khanra N. K. . . 30136 1 2 P. Rossi P. . . . 30136 1 3 A. Economou A. . . . 30136 1 4 C. Kalodimos C. G. . . 30136 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30136 _Assembly.ID 1 _Assembly.Name 'Flagellar protein FliT' _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 . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30136 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30136 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MTSTVEFINRWQRIALLSQS LLELAQRGEWDLLLQQEVSY LQSIETVMEKQTPPGITRSI QDMVAGYIKQTLDNEQLLKG LLQQRLDELSSLIGQSTRQK SLNNAYGRLSGMLLVPDAPG AS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 122 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13715.621 _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 . MET . 30136 1 2 . THR . 30136 1 3 . SER . 30136 1 4 . THR . 30136 1 5 . VAL . 30136 1 6 . GLU . 30136 1 7 . PHE . 30136 1 8 . ILE . 30136 1 9 . ASN . 30136 1 10 . ARG . 30136 1 11 . TRP . 30136 1 12 . GLN . 30136 1 13 . ARG . 30136 1 14 . ILE . 30136 1 15 . ALA . 30136 1 16 . LEU . 30136 1 17 . LEU . 30136 1 18 . SER . 30136 1 19 . GLN . 30136 1 20 . SER . 30136 1 21 . LEU . 30136 1 22 . LEU . 30136 1 23 . GLU . 30136 1 24 . LEU . 30136 1 25 . ALA . 30136 1 26 . GLN . 30136 1 27 . ARG . 30136 1 28 . GLY . 30136 1 29 . GLU . 30136 1 30 . TRP . 30136 1 31 . ASP . 30136 1 32 . LEU . 30136 1 33 . LEU . 30136 1 34 . LEU . 30136 1 35 . GLN . 30136 1 36 . GLN . 30136 1 37 . GLU . 30136 1 38 . VAL . 30136 1 39 . SER . 30136 1 40 . TYR . 30136 1 41 . LEU . 30136 1 42 . GLN . 30136 1 43 . SER . 30136 1 44 . ILE . 30136 1 45 . GLU . 30136 1 46 . THR . 30136 1 47 . VAL . 30136 1 48 . MET . 30136 1 49 . GLU . 30136 1 50 . LYS . 30136 1 51 . GLN . 30136 1 52 . THR . 30136 1 53 . PRO . 30136 1 54 . PRO . 30136 1 55 . GLY . 30136 1 56 . ILE . 30136 1 57 . THR . 30136 1 58 . ARG . 30136 1 59 . SER . 30136 1 60 . ILE . 30136 1 61 . GLN . 30136 1 62 . ASP . 30136 1 63 . MET . 30136 1 64 . VAL . 30136 1 65 . ALA . 30136 1 66 . GLY . 30136 1 67 . TYR . 30136 1 68 . ILE . 30136 1 69 . LYS . 30136 1 70 . GLN . 30136 1 71 . THR . 30136 1 72 . LEU . 30136 1 73 . ASP . 30136 1 74 . ASN . 30136 1 75 . GLU . 30136 1 76 . GLN . 30136 1 77 . LEU . 30136 1 78 . LEU . 30136 1 79 . LYS . 30136 1 80 . GLY . 30136 1 81 . LEU . 30136 1 82 . LEU . 30136 1 83 . GLN . 30136 1 84 . GLN . 30136 1 85 . ARG . 30136 1 86 . LEU . 30136 1 87 . ASP . 30136 1 88 . GLU . 30136 1 89 . LEU . 30136 1 90 . SER . 30136 1 91 . SER . 30136 1 92 . LEU . 30136 1 93 . ILE . 30136 1 94 . GLY . 30136 1 95 . GLN . 30136 1 96 . SER . 30136 1 97 . THR . 30136 1 98 . ARG . 30136 1 99 . GLN . 30136 1 100 . LYS . 30136 1 101 . SER . 30136 1 102 . LEU . 30136 1 103 . ASN . 30136 1 104 . ASN . 30136 1 105 . ALA . 30136 1 106 . TYR . 30136 1 107 . GLY . 30136 1 108 . ARG . 30136 1 109 . LEU . 30136 1 110 . SER . 30136 1 111 . GLY . 30136 1 112 . MET . 30136 1 113 . LEU . 30136 1 114 . LEU . 30136 1 115 . VAL . 30136 1 116 . PRO . 30136 1 117 . ASP . 30136 1 118 . ALA . 30136 1 119 . PRO . 30136 1 120 . GLY . 30136 1 121 . ALA . 30136 1 122 . SER . 30136 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 . MET 1 1 30136 1 . THR 2 2 30136 1 . SER 3 3 30136 1 . THR 4 4 30136 1 . VAL 5 5 30136 1 . GLU 6 6 30136 1 . PHE 7 7 30136 1 . ILE 8 8 30136 1 . ASN 9 9 30136 1 . ARG 10 10 30136 1 . TRP 11 11 30136 1 . GLN 12 12 30136 1 . ARG 13 13 30136 1 . ILE 14 14 30136 1 . ALA 15 15 30136 1 . LEU 16 16 30136 1 . LEU 17 17 30136 1 . SER 18 18 30136 1 . GLN 19 19 30136 1 . SER 20 20 30136 1 . LEU 21 21 30136 1 . LEU 22 22 30136 1 . GLU 23 23 30136 1 . LEU 24 24 30136 1 . ALA 25 25 30136 1 . GLN 26 26 30136 1 . ARG 27 27 30136 1 . GLY 28 28 30136 1 . GLU 29 29 30136 1 . TRP 30 30 30136 1 . ASP 31 31 30136 1 . LEU 32 32 30136 1 . LEU 33 33 30136 1 . LEU 34 34 30136 1 . GLN 35 35 30136 1 . GLN 36 36 30136 1 . GLU 37 37 30136 1 . VAL 38 38 30136 1 . SER 39 39 30136 1 . TYR 40 40 30136 1 . LEU 41 41 30136 1 . GLN 42 42 30136 1 . SER 43 43 30136 1 . ILE 44 44 30136 1 . GLU 45 45 30136 1 . THR 46 46 30136 1 . VAL 47 47 30136 1 . MET 48 48 30136 1 . GLU 49 49 30136 1 . LYS 50 50 30136 1 . GLN 51 51 30136 1 . THR 52 52 30136 1 . PRO 53 53 30136 1 . PRO 54 54 30136 1 . GLY 55 55 30136 1 . ILE 56 56 30136 1 . THR 57 57 30136 1 . ARG 58 58 30136 1 . SER 59 59 30136 1 . ILE 60 60 30136 1 . GLN 61 61 30136 1 . ASP 62 62 30136 1 . MET 63 63 30136 1 . VAL 64 64 30136 1 . ALA 65 65 30136 1 . GLY 66 66 30136 1 . TYR 67 67 30136 1 . ILE 68 68 30136 1 . LYS 69 69 30136 1 . GLN 70 70 30136 1 . THR 71 71 30136 1 . LEU 72 72 30136 1 . ASP 73 73 30136 1 . ASN 74 74 30136 1 . GLU 75 75 30136 1 . GLN 76 76 30136 1 . LEU 77 77 30136 1 . LEU 78 78 30136 1 . LYS 79 79 30136 1 . GLY 80 80 30136 1 . LEU 81 81 30136 1 . LEU 82 82 30136 1 . GLN 83 83 30136 1 . GLN 84 84 30136 1 . ARG 85 85 30136 1 . LEU 86 86 30136 1 . ASP 87 87 30136 1 . GLU 88 88 30136 1 . LEU 89 89 30136 1 . SER 90 90 30136 1 . SER 91 91 30136 1 . LEU 92 92 30136 1 . ILE 93 93 30136 1 . GLY 94 94 30136 1 . GLN 95 95 30136 1 . SER 96 96 30136 1 . THR 97 97 30136 1 . ARG 98 98 30136 1 . GLN 99 99 30136 1 . LYS 100 100 30136 1 . SER 101 101 30136 1 . LEU 102 102 30136 1 . ASN 103 103 30136 1 . ASN 104 104 30136 1 . ALA 105 105 30136 1 . TYR 106 106 30136 1 . GLY 107 107 30136 1 . ARG 108 108 30136 1 . LEU 109 109 30136 1 . SER 110 110 30136 1 . GLY 111 111 30136 1 . MET 112 112 30136 1 . LEU 113 113 30136 1 . LEU 114 114 30136 1 . VAL 115 115 30136 1 . PRO 116 116 30136 1 . ASP 117 117 30136 1 . ALA 118 118 30136 1 . PRO 119 119 30136 1 . GLY 120 120 30136 1 . ALA 121 121 30136 1 . SER 122 122 30136 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 30136 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 99287 organism . 'Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)' 'Salmonella enterica' . . Bacteria . Salmonella typhimurium 'LT2 / SGSC1412 / ATCC 700720' . . . . . . . . . . 'fliT, STM1962' . 30136 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 30136 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . . . . . . . . 30136 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30136 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM [U-99% 13C; U-99% 15N; U-99% 2H] FliT, 20 mM potassium phosphate, 100 mM potassium chloride, 0.5 mM EDTA, 5 mM beta-mercaptoethanol, 0.05 % sodium azide, 90% H2O/10% D2O ; _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 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 30136 1 2 FliT '[U-99% 13C; U-99% 15N; U-99% 2H]' . . 1 $entity_1 . . 0.5 . . mM . . . . 30136 1 3 beta-mercaptoethanol 'natural abundance' . . . . . . 5 . . mM . . . . 30136 1 4 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30136 1 5 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30136 1 6 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 30136 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30136 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.08 mM U-[2H,15N] 1H-13C-IVLMAT, 1H-13C-15N FY FliT, 20 mM potassium phosphate, 100 mM potassium chloride, 0.5 mM EDTA, 5 mM beta-mercaptoethanol, 0.05 mM sodium azide, 90% H2O/10% D2O ; _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 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 30136 2 2 FliT 'U-[2H,15N] 1H-13C-IVLMAT, 1H-13C-15N FY' . . 1 $entity_1 . . 0.08 . . mM . . . . 30136 2 3 beta-mercaptoethanol 'natural abundance' . . . . . . 5 . . mM . . . . 30136 2 4 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30136 2 5 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30136 2 6 'sodium azide' 'natural abundance' . . . . . . 0.05 . . mM . . . . 30136 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30136 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 . mM 30136 1 pH 7.0 . pH 30136 1 pressure 1 . atm 30136 1 temperature 298 . K 30136 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30136 _Software.ID 1 _Software.Name CNS _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 30136 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30136 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30136 _Software.ID 2 _Software.Name CYANA _Software.Version 3.97 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30136 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30136 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30136 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30136 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30136 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30136 _Software.ID 4 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 30136 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30136 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30136 _Software.ID 5 _Software.Name PINE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 30136 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30136 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30136 _Software.ID 6 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30136 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30136 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 30136 _Software.ID 7 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 30136 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 30136 7 stop_ save_ save_software_8 _Software.Sf_category software _Software.Sf_framecode software_8 _Software.Entry_ID 30136 _Software.ID 8 _Software.Name TOPSPIN _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30136 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30136 8 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30136 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30136 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 30136 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 700 . . . 30136 1 2 NMR_spectrometer_2 Bruker AvanceIII . 900 . . . 30136 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 30136 _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 . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30136 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30136 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30136 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30136 1 5 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30136 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30136 1 7 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30136 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30136 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 0.000 internal indirect 0.25144953 . . . . . 30136 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30136 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30136 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30136 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30136 1 2 '2D 1H-13C HSQC' . . . 30136 1 3 '3D HNCA' . . . 30136 1 6 '3D HNCO' . . . 30136 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 6 $software_6 . . 30136 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HE1 H 1 2.124 . . 1 . . . A 1 MET HE1 . 30136 1 2 . 1 1 1 1 MET HE2 H 1 2.124 . . 1 . . . A 1 MET HE2 . 30136 1 3 . 1 1 1 1 MET HE3 H 1 2.124 . . 1 . . . A 1 MET HE3 . 30136 1 4 . 1 1 1 1 MET CE C 13 16.964 . . 1 . . . A 1 MET CE . 30136 1 5 . 1 1 4 4 THR HG21 H 1 1.270 . . 1 . . . A 4 THR HG21 . 30136 1 6 . 1 1 4 4 THR HG22 H 1 1.270 . . 1 . . . A 4 THR HG22 . 30136 1 7 . 1 1 4 4 THR HG23 H 1 1.270 . . 1 . . . A 4 THR HG23 . 30136 1 8 . 1 1 4 4 THR CA C 13 65.880 . . 1 . . . A 4 THR CA . 30136 1 9 . 1 1 4 4 THR CG2 C 13 21.891 . . 1 . . . A 4 THR CG2 . 30136 1 10 . 1 1 5 5 VAL H H 1 7.780 . . 1 . . . A 5 VAL H . 30136 1 11 . 1 1 5 5 VAL HG11 H 1 1.105 . . 1 . . . A 5 VAL HG11 . 30136 1 12 . 1 1 5 5 VAL HG12 H 1 1.105 . . 1 . . . A 5 VAL HG12 . 30136 1 13 . 1 1 5 5 VAL HG13 H 1 1.105 . . 1 . . . A 5 VAL HG13 . 30136 1 14 . 1 1 5 5 VAL HG21 H 1 1.033 . . 1 . . . A 5 VAL HG21 . 30136 1 15 . 1 1 5 5 VAL HG22 H 1 1.033 . . 1 . . . A 5 VAL HG22 . 30136 1 16 . 1 1 5 5 VAL HG23 H 1 1.033 . . 1 . . . A 5 VAL HG23 . 30136 1 17 . 1 1 5 5 VAL CA C 13 65.791 . . 1 . . . A 5 VAL CA . 30136 1 18 . 1 1 5 5 VAL CG1 C 13 22.536 . . 1 . . . A 5 VAL CG1 . 30136 1 19 . 1 1 5 5 VAL CG2 C 13 20.955 . . 1 . . . A 5 VAL CG2 . 30136 1 20 . 1 1 5 5 VAL N N 15 120.880 . . 1 . . . A 5 VAL N . 30136 1 21 . 1 1 6 6 GLU H H 1 8.078 . . 1 . . . A 6 GLU H . 30136 1 22 . 1 1 6 6 GLU CA C 13 58.907 . . 1 . . . A 6 GLU CA . 30136 1 23 . 1 1 6 6 GLU N N 15 119.850 . . 1 . . . A 6 GLU N . 30136 1 24 . 1 1 7 7 PHE H H 1 7.842 . . 1 . . . A 7 PHE H . 30136 1 25 . 1 1 7 7 PHE HD1 H 1 7.100 . . 1 . . . A 7 PHE HD1 . 30136 1 26 . 1 1 7 7 PHE HD2 H 1 7.100 . . 1 . . . A 7 PHE HD2 . 30136 1 27 . 1 1 7 7 PHE HE1 H 1 7.401 . . 1 . . . A 7 PHE HE1 . 30136 1 28 . 1 1 7 7 PHE HE2 H 1 7.401 . . 1 . . . A 7 PHE HE2 . 30136 1 29 . 1 1 7 7 PHE HZ H 1 7.538 . . 1 . . . A 7 PHE HZ . 30136 1 30 . 1 1 7 7 PHE CA C 13 60.703 . . 1 . . . A 7 PHE CA . 30136 1 31 . 1 1 7 7 PHE CD1 C 13 133.719 . . 1 . . . A 7 PHE CD1 . 30136 1 32 . 1 1 7 7 PHE CD2 C 13 133.719 . . 1 . . . A 7 PHE CD2 . 30136 1 33 . 1 1 7 7 PHE CE1 C 13 132.750 . . 1 . . . A 7 PHE CE1 . 30136 1 34 . 1 1 7 7 PHE CE2 C 13 132.750 . . 1 . . . A 7 PHE CE2 . 30136 1 35 . 1 1 7 7 PHE CZ C 13 132.106 . . 1 . . . A 7 PHE CZ . 30136 1 36 . 1 1 7 7 PHE N N 15 120.100 . . 1 . . . A 7 PHE N . 30136 1 37 . 1 1 8 8 ILE H H 1 8.145 . . 1 . . . A 8 ILE H . 30136 1 38 . 1 1 8 8 ILE HD11 H 1 1.057 . . 1 . . . A 8 ILE HD11 . 30136 1 39 . 1 1 8 8 ILE HD12 H 1 1.057 . . 1 . . . A 8 ILE HD12 . 30136 1 40 . 1 1 8 8 ILE HD13 H 1 1.057 . . 1 . . . A 8 ILE HD13 . 30136 1 41 . 1 1 8 8 ILE CA C 13 65.136 . . 1 . . . A 8 ILE CA . 30136 1 42 . 1 1 8 8 ILE CD1 C 13 14.585 . . 1 . . . A 8 ILE CD1 . 30136 1 43 . 1 1 8 8 ILE N N 15 117.140 . . 1 . . . A 8 ILE N . 30136 1 44 . 1 1 9 9 ASN H H 1 8.471 . . 1 . . . A 9 ASN H . 30136 1 45 . 1 1 9 9 ASN CA C 13 55.561 . . 1 . . . A 9 ASN CA . 30136 1 46 . 1 1 9 9 ASN N N 15 116.895 . . 1 . . . A 9 ASN N . 30136 1 47 . 1 1 10 10 ARG H H 1 8.536 . . 1 . . . A 10 ARG H . 30136 1 48 . 1 1 10 10 ARG CA C 13 59.083 . . 1 . . . A 10 ARG CA . 30136 1 49 . 1 1 10 10 ARG N N 15 119.396 . . 1 . . . A 10 ARG N . 30136 1 50 . 1 1 11 11 TRP H H 1 7.368 . . 1 . . . A 11 TRP H . 30136 1 51 . 1 1 11 11 TRP HE1 H 1 9.281 . . 1 . . . A 11 TRP HE1 . 30136 1 52 . 1 1 11 11 TRP CA C 13 60.227 . . 1 . . . A 11 TRP CA . 30136 1 53 . 1 1 11 11 TRP N N 15 118.993 . . 1 . . . A 11 TRP N . 30136 1 54 . 1 1 11 11 TRP NE1 N 15 126.244 . . 1 . . . A 11 TRP NE1 . 30136 1 55 . 1 1 12 12 GLN H H 1 8.619 . . 1 . . . A 12 GLN H . 30136 1 56 . 1 1 12 12 GLN CA C 13 58.510 . . 1 . . . A 12 GLN CA . 30136 1 57 . 1 1 12 12 GLN N N 15 121.356 . . 1 . . . A 12 GLN N . 30136 1 58 . 1 1 13 13 ARG H H 1 7.896 . . 1 . . . A 13 ARG H . 30136 1 59 . 1 1 13 13 ARG CA C 13 58.589 . . 1 . . . A 13 ARG CA . 30136 1 60 . 1 1 13 13 ARG N N 15 117.423 . . 1 . . . A 13 ARG N . 30136 1 61 . 1 1 14 14 ILE H H 1 7.597 . . 1 . . . A 14 ILE H . 30136 1 62 . 1 1 14 14 ILE HD11 H 1 0.004 . . 1 . . . A 14 ILE HD11 . 30136 1 63 . 1 1 14 14 ILE HD12 H 1 0.004 . . 1 . . . A 14 ILE HD12 . 30136 1 64 . 1 1 14 14 ILE HD13 H 1 0.004 . . 1 . . . A 14 ILE HD13 . 30136 1 65 . 1 1 14 14 ILE CA C 13 65.059 . . 1 . . . A 14 ILE CA . 30136 1 66 . 1 1 14 14 ILE CD1 C 13 13.245 . . 1 . . . A 14 ILE CD1 . 30136 1 67 . 1 1 14 14 ILE N N 15 120.859 . . 1 . . . A 14 ILE N . 30136 1 68 . 1 1 15 15 ALA H H 1 8.053 . . 1 . . . A 15 ALA H . 30136 1 69 . 1 1 15 15 ALA HB1 H 1 1.622 . . 1 . . . A 15 ALA HB1 . 30136 1 70 . 1 1 15 15 ALA HB2 H 1 1.622 . . 1 . . . A 15 ALA HB2 . 30136 1 71 . 1 1 15 15 ALA HB3 H 1 1.622 . . 1 . . . A 15 ALA HB3 . 30136 1 72 . 1 1 15 15 ALA CA C 13 54.784 . . 1 . . . A 15 ALA CA . 30136 1 73 . 1 1 15 15 ALA CB C 13 17.402 . . 1 . . . A 15 ALA CB . 30136 1 74 . 1 1 15 15 ALA N N 15 122.820 . . 1 . . . A 15 ALA N . 30136 1 75 . 1 1 16 16 LEU H H 1 8.183 . . 1 . . . A 16 LEU H . 30136 1 76 . 1 1 16 16 LEU HD11 H 1 0.899 . . 1 . . . A 16 LEU HD11 . 30136 1 77 . 1 1 16 16 LEU HD12 H 1 0.899 . . 1 . . . A 16 LEU HD12 . 30136 1 78 . 1 1 16 16 LEU HD13 H 1 0.899 . . 1 . . . A 16 LEU HD13 . 30136 1 79 . 1 1 16 16 LEU HD21 H 1 0.921 . . 1 . . . A 16 LEU HD21 . 30136 1 80 . 1 1 16 16 LEU HD22 H 1 0.921 . . 1 . . . A 16 LEU HD22 . 30136 1 81 . 1 1 16 16 LEU HD23 H 1 0.921 . . 1 . . . A 16 LEU HD23 . 30136 1 82 . 1 1 16 16 LEU CA C 13 57.529 . . 1 . . . A 16 LEU CA . 30136 1 83 . 1 1 16 16 LEU CD1 C 13 25.355 . . 1 . . . A 16 LEU CD1 . 30136 1 84 . 1 1 16 16 LEU CD2 C 13 23.229 . . 1 . . . A 16 LEU CD2 . 30136 1 85 . 1 1 16 16 LEU N N 15 120.551 . . 1 . . . A 16 LEU N . 30136 1 86 . 1 1 17 17 LEU H H 1 8.819 . . 1 . . . A 17 LEU H . 30136 1 87 . 1 1 17 17 LEU CA C 13 57.263 . . 1 . . . A 17 LEU CA . 30136 1 88 . 1 1 17 17 LEU N N 15 122.837 . . 1 . . . A 17 LEU N . 30136 1 89 . 1 1 18 18 SER H H 1 8.945 . . 1 . . . A 18 SER H . 30136 1 90 . 1 1 18 18 SER CA C 13 61.868 . . 1 . . . A 18 SER CA . 30136 1 91 . 1 1 18 18 SER N N 15 116.512 . . 1 . . . A 18 SER N . 30136 1 92 . 1 1 19 19 GLN H H 1 7.459 . . 1 . . . A 19 GLN H . 30136 1 93 . 1 1 19 19 GLN CA C 13 57.812 . . 1 . . . A 19 GLN CA . 30136 1 94 . 1 1 19 19 GLN N N 15 123.629 . . 1 . . . A 19 GLN N . 30136 1 95 . 1 1 20 20 SER H H 1 8.050 . . 1 . . . A 20 SER H . 30136 1 96 . 1 1 20 20 SER CA C 13 60.954 . . 1 . . . A 20 SER CA . 30136 1 97 . 1 1 20 20 SER N N 15 116.285 . . 1 . . . A 20 SER N . 30136 1 98 . 1 1 21 21 LEU H H 1 8.225 . . 1 . . . A 21 LEU H . 30136 1 99 . 1 1 21 21 LEU HD11 H 1 0.280 . . 1 . . . A 21 LEU HD11 . 30136 1 100 . 1 1 21 21 LEU HD12 H 1 0.280 . . 1 . . . A 21 LEU HD12 . 30136 1 101 . 1 1 21 21 LEU HD13 H 1 0.280 . . 1 . . . A 21 LEU HD13 . 30136 1 102 . 1 1 21 21 LEU HD21 H 1 0.625 . . 1 . . . A 21 LEU HD21 . 30136 1 103 . 1 1 21 21 LEU HD22 H 1 0.625 . . 1 . . . A 21 LEU HD22 . 30136 1 104 . 1 1 21 21 LEU HD23 H 1 0.625 . . 1 . . . A 21 LEU HD23 . 30136 1 105 . 1 1 21 21 LEU CA C 13 57.567 . . 1 . . . A 21 LEU CA . 30136 1 106 . 1 1 21 21 LEU CD1 C 13 25.148 . . 1 . . . A 21 LEU CD1 . 30136 1 107 . 1 1 21 21 LEU CD2 C 13 23.436 . . 1 . . . A 21 LEU CD2 . 30136 1 108 . 1 1 21 21 LEU N N 15 120.393 . . 1 . . . A 21 LEU N . 30136 1 109 . 1 1 22 22 LEU H H 1 7.368 . . 1 . . . A 22 LEU H . 30136 1 110 . 1 1 22 22 LEU HD11 H 1 0.990 . . 1 . . . A 22 LEU HD11 . 30136 1 111 . 1 1 22 22 LEU HD12 H 1 0.990 . . 1 . . . A 22 LEU HD12 . 30136 1 112 . 1 1 22 22 LEU HD13 H 1 0.990 . . 1 . . . A 22 LEU HD13 . 30136 1 113 . 1 1 22 22 LEU HD21 H 1 0.922 . . 1 . . . A 22 LEU HD21 . 30136 1 114 . 1 1 22 22 LEU HD22 H 1 0.922 . . 1 . . . A 22 LEU HD22 . 30136 1 115 . 1 1 22 22 LEU HD23 H 1 0.922 . . 1 . . . A 22 LEU HD23 . 30136 1 116 . 1 1 22 22 LEU CA C 13 57.432 . . 1 . . . A 22 LEU CA . 30136 1 117 . 1 1 22 22 LEU CD1 C 13 23.449 . . 1 . . . A 22 LEU CD1 . 30136 1 118 . 1 1 22 22 LEU CD2 C 13 26.480 . . 1 . . . A 22 LEU CD2 . 30136 1 119 . 1 1 22 22 LEU N N 15 118.356 . . 1 . . . A 22 LEU N . 30136 1 120 . 1 1 23 23 GLU H H 1 7.996 . . 1 . . . A 23 GLU H . 30136 1 121 . 1 1 23 23 GLU CA C 13 58.931 . . 1 . . . A 23 GLU CA . 30136 1 122 . 1 1 23 23 GLU N N 15 118.140 . . 1 . . . A 23 GLU N . 30136 1 123 . 1 1 24 24 LEU H H 1 7.795 . . 1 . . . A 24 LEU H . 30136 1 124 . 1 1 24 24 LEU HD11 H 1 0.921 . . 1 . . . A 24 LEU HD11 . 30136 1 125 . 1 1 24 24 LEU HD12 H 1 0.921 . . 1 . . . A 24 LEU HD12 . 30136 1 126 . 1 1 24 24 LEU HD13 H 1 0.921 . . 1 . . . A 24 LEU HD13 . 30136 1 127 . 1 1 24 24 LEU HD21 H 1 0.917 . . 1 . . . A 24 LEU HD21 . 30136 1 128 . 1 1 24 24 LEU HD22 H 1 0.917 . . 1 . . . A 24 LEU HD22 . 30136 1 129 . 1 1 24 24 LEU HD23 H 1 0.917 . . 1 . . . A 24 LEU HD23 . 30136 1 130 . 1 1 24 24 LEU CA C 13 57.401 . . 1 . . . A 24 LEU CA . 30136 1 131 . 1 1 24 24 LEU CD1 C 13 26.110 . . 1 . . . A 24 LEU CD1 . 30136 1 132 . 1 1 24 24 LEU CD2 C 13 23.675 . . 1 . . . A 24 LEU CD2 . 30136 1 133 . 1 1 24 24 LEU N N 15 118.085 . . 1 . . . A 24 LEU N . 30136 1 134 . 1 1 25 25 ALA H H 1 7.859 . . 1 . . . A 25 ALA H . 30136 1 135 . 1 1 25 25 ALA HB1 H 1 1.389 . . 1 . . . A 25 ALA HB1 . 30136 1 136 . 1 1 25 25 ALA HB2 H 1 1.389 . . 1 . . . A 25 ALA HB2 . 30136 1 137 . 1 1 25 25 ALA HB3 H 1 1.389 . . 1 . . . A 25 ALA HB3 . 30136 1 138 . 1 1 25 25 ALA CA C 13 53.991 . . 1 . . . A 25 ALA CA . 30136 1 139 . 1 1 25 25 ALA CB C 13 19.089 . . 1 . . . A 25 ALA CB . 30136 1 140 . 1 1 25 25 ALA N N 15 121.092 . . 1 . . . A 25 ALA N . 30136 1 141 . 1 1 26 26 GLN H H 1 8.625 . . 1 . . . A 26 GLN H . 30136 1 142 . 1 1 26 26 GLN CA C 13 58.167 . . 1 . . . A 26 GLN CA . 30136 1 143 . 1 1 26 26 GLN N N 15 118.775 . . 1 . . . A 26 GLN N . 30136 1 144 . 1 1 27 27 ARG H H 1 7.485 . . 1 . . . A 27 ARG H . 30136 1 145 . 1 1 27 27 ARG CA C 13 55.719 . . 1 . . . A 27 ARG CA . 30136 1 146 . 1 1 27 27 ARG N N 15 115.297 . . 1 . . . A 27 ARG N . 30136 1 147 . 1 1 28 28 GLY H H 1 7.473 . . 1 . . . A 28 GLY H . 30136 1 148 . 1 1 28 28 GLY CA C 13 45.047 . . 1 . . . A 28 GLY CA . 30136 1 149 . 1 1 28 28 GLY N N 15 108.715 . . 1 . . . A 28 GLY N . 30136 1 150 . 1 1 29 29 GLU H H 1 7.685 . . 1 . . . A 29 GLU H . 30136 1 151 . 1 1 29 29 GLU CA C 13 53.420 . . 1 . . . A 29 GLU CA . 30136 1 152 . 1 1 29 29 GLU N N 15 121.767 . . 1 . . . A 29 GLU N . 30136 1 153 . 1 1 30 30 TRP H H 1 7.086 . . 1 . . . A 30 TRP H . 30136 1 154 . 1 1 30 30 TRP HE1 H 1 10.403 . . 1 . . . A 30 TRP HE1 . 30136 1 155 . 1 1 30 30 TRP CA C 13 59.116 . . 1 . . . A 30 TRP CA . 30136 1 156 . 1 1 30 30 TRP N N 15 120.142 . . 1 . . . A 30 TRP N . 30136 1 157 . 1 1 30 30 TRP NE1 N 15 128.162 . . 1 . . . A 30 TRP NE1 . 30136 1 158 . 1 1 31 31 ASP H H 1 8.554 . . 1 . . . A 31 ASP H . 30136 1 159 . 1 1 31 31 ASP CA C 13 57.316 . . 1 . . . A 31 ASP CA . 30136 1 160 . 1 1 31 31 ASP N N 15 116.705 . . 1 . . . A 31 ASP N . 30136 1 161 . 1 1 32 32 LEU H H 1 7.970 . . 1 . . . A 32 LEU H . 30136 1 162 . 1 1 32 32 LEU HD11 H 1 0.890 . . 1 . . . A 32 LEU HD11 . 30136 1 163 . 1 1 32 32 LEU HD12 H 1 0.890 . . 1 . . . A 32 LEU HD12 . 30136 1 164 . 1 1 32 32 LEU HD13 H 1 0.890 . . 1 . . . A 32 LEU HD13 . 30136 1 165 . 1 1 32 32 LEU HD21 H 1 0.847 . . 1 . . . A 32 LEU HD21 . 30136 1 166 . 1 1 32 32 LEU HD22 H 1 0.847 . . 1 . . . A 32 LEU HD22 . 30136 1 167 . 1 1 32 32 LEU HD23 H 1 0.847 . . 1 . . . A 32 LEU HD23 . 30136 1 168 . 1 1 32 32 LEU CA C 13 56.974 . . 1 . . . A 32 LEU CA . 30136 1 169 . 1 1 32 32 LEU CD1 C 13 24.438 . . 1 . . . A 32 LEU CD1 . 30136 1 170 . 1 1 32 32 LEU CD2 C 13 22.988 . . 1 . . . A 32 LEU CD2 . 30136 1 171 . 1 1 32 32 LEU N N 15 120.825 . . 1 . . . A 32 LEU N . 30136 1 172 . 1 1 33 33 LEU H H 1 8.194 . . 1 . . . A 33 LEU H . 30136 1 173 . 1 1 33 33 LEU HD11 H 1 1.044 . . 1 . . . A 33 LEU HD11 . 30136 1 174 . 1 1 33 33 LEU HD12 H 1 1.044 . . 1 . . . A 33 LEU HD12 . 30136 1 175 . 1 1 33 33 LEU HD13 H 1 1.044 . . 1 . . . A 33 LEU HD13 . 30136 1 176 . 1 1 33 33 LEU HD21 H 1 0.994 . . 1 . . . A 33 LEU HD21 . 30136 1 177 . 1 1 33 33 LEU HD22 H 1 0.994 . . 1 . . . A 33 LEU HD22 . 30136 1 178 . 1 1 33 33 LEU HD23 H 1 0.994 . . 1 . . . A 33 LEU HD23 . 30136 1 179 . 1 1 33 33 LEU CA C 13 58.757 . . 1 . . . A 33 LEU CA . 30136 1 180 . 1 1 33 33 LEU CD1 C 13 26.448 . . 1 . . . A 33 LEU CD1 . 30136 1 181 . 1 1 33 33 LEU CD2 C 13 26.637 . . 1 . . . A 33 LEU CD2 . 30136 1 182 . 1 1 33 33 LEU N N 15 121.588 . . 1 . . . A 33 LEU N . 30136 1 183 . 1 1 34 34 LEU H H 1 8.213 . . 1 . . . A 34 LEU H . 30136 1 184 . 1 1 34 34 LEU HD11 H 1 0.917 . . 1 . . . A 34 LEU HD11 . 30136 1 185 . 1 1 34 34 LEU HD12 H 1 0.917 . . 1 . . . A 34 LEU HD12 . 30136 1 186 . 1 1 34 34 LEU HD13 H 1 0.917 . . 1 . . . A 34 LEU HD13 . 30136 1 187 . 1 1 34 34 LEU HD21 H 1 0.938 . . 1 . . . A 34 LEU HD21 . 30136 1 188 . 1 1 34 34 LEU HD22 H 1 0.938 . . 1 . . . A 34 LEU HD22 . 30136 1 189 . 1 1 34 34 LEU HD23 H 1 0.938 . . 1 . . . A 34 LEU HD23 . 30136 1 190 . 1 1 34 34 LEU CA C 13 57.870 . . 1 . . . A 34 LEU CA . 30136 1 191 . 1 1 34 34 LEU CD1 C 13 23.646 . . 1 . . . A 34 LEU CD1 . 30136 1 192 . 1 1 34 34 LEU CD2 C 13 26.061 . . 1 . . . A 34 LEU CD2 . 30136 1 193 . 1 1 34 34 LEU N N 15 118.472 . . 1 . . . A 34 LEU N . 30136 1 194 . 1 1 35 35 GLN H H 1 7.526 . . 1 . . . A 35 GLN H . 30136 1 195 . 1 1 35 35 GLN CA C 13 57.943 . . 1 . . . A 35 GLN CA . 30136 1 196 . 1 1 35 35 GLN N N 15 116.214 . . 1 . . . A 35 GLN N . 30136 1 197 . 1 1 36 36 GLN H H 1 8.496 . . 1 . . . A 36 GLN H . 30136 1 198 . 1 1 36 36 GLN CA C 13 56.941 . . 1 . . . A 36 GLN CA . 30136 1 199 . 1 1 36 36 GLN N N 15 118.900 . . 1 . . . A 36 GLN N . 30136 1 200 . 1 1 37 37 GLU H H 1 8.640 . . 1 . . . A 37 GLU H . 30136 1 201 . 1 1 37 37 GLU CA C 13 59.230 . . 1 . . . A 37 GLU CA . 30136 1 202 . 1 1 37 37 GLU N N 15 120.667 . . 1 . . . A 37 GLU N . 30136 1 203 . 1 1 38 38 VAL H H 1 7.288 . . 1 . . . A 38 VAL H . 30136 1 204 . 1 1 38 38 VAL HG11 H 1 1.203 . . 1 . . . A 38 VAL HG11 . 30136 1 205 . 1 1 38 38 VAL HG12 H 1 1.203 . . 1 . . . A 38 VAL HG12 . 30136 1 206 . 1 1 38 38 VAL HG13 H 1 1.203 . . 1 . . . A 38 VAL HG13 . 30136 1 207 . 1 1 38 38 VAL HG21 H 1 0.996 . . 1 . . . A 38 VAL HG21 . 30136 1 208 . 1 1 38 38 VAL HG22 H 1 0.996 . . 1 . . . A 38 VAL HG22 . 30136 1 209 . 1 1 38 38 VAL HG23 H 1 0.996 . . 1 . . . A 38 VAL HG23 . 30136 1 210 . 1 1 38 38 VAL CA C 13 66.272 . . 1 . . . A 38 VAL CA . 30136 1 211 . 1 1 38 38 VAL CG1 C 13 22.104 . . 1 . . . A 38 VAL CG1 . 30136 1 212 . 1 1 38 38 VAL CG2 C 13 20.713 . . 1 . . . A 38 VAL CG2 . 30136 1 213 . 1 1 38 38 VAL N N 15 117.098 . . 1 . . . A 38 VAL N . 30136 1 214 . 1 1 39 39 SER H H 1 7.605 . . 1 . . . A 39 SER H . 30136 1 215 . 1 1 39 39 SER CA C 13 60.206 . . 1 . . . A 39 SER CA . 30136 1 216 . 1 1 39 39 SER N N 15 113.864 . . 1 . . . A 39 SER N . 30136 1 217 . 1 1 40 40 TYR H H 1 7.884 . . 1 . . . A 40 TYR H . 30136 1 218 . 1 1 40 40 TYR HD1 H 1 6.853 . . 1 . . . A 40 TYR HD1 . 30136 1 219 . 1 1 40 40 TYR HD2 H 1 6.853 . . 1 . . . A 40 TYR HD2 . 30136 1 220 . 1 1 40 40 TYR HE1 H 1 6.748 . . 1 . . . A 40 TYR HE1 . 30136 1 221 . 1 1 40 40 TYR CA C 13 59.998 . . 1 . . . A 40 TYR CA . 30136 1 222 . 1 1 40 40 TYR CD1 C 13 132.912 . . 1 . . . A 40 TYR CD1 . 30136 1 223 . 1 1 40 40 TYR CD2 C 13 132.912 . . 1 . . . A 40 TYR CD2 . 30136 1 224 . 1 1 40 40 TYR CE1 C 13 119.083 . . 1 . . . A 40 TYR CE1 . 30136 1 225 . 1 1 40 40 TYR N N 15 125.289 . . 1 . . . A 40 TYR N . 30136 1 226 . 1 1 41 41 LEU H H 1 8.671 . . 1 . . . A 41 LEU H . 30136 1 227 . 1 1 41 41 LEU CA C 13 57.696 . . 1 . . . A 41 LEU CA . 30136 1 228 . 1 1 41 41 LEU N N 15 119.409 . . 1 . . . A 41 LEU N . 30136 1 229 . 1 1 42 42 GLN H H 1 7.944 . . 1 . . . A 42 GLN H . 30136 1 230 . 1 1 42 42 GLN CA C 13 58.180 . . 1 . . . A 42 GLN CA . 30136 1 231 . 1 1 42 42 GLN N N 15 117.138 . . 1 . . . A 42 GLN N . 30136 1 232 . 1 1 43 43 SER H H 1 8.044 . . 1 . . . A 43 SER H . 30136 1 233 . 1 1 43 43 SER CA C 13 62.169 . . 1 . . . A 43 SER CA . 30136 1 234 . 1 1 43 43 SER N N 15 117.067 . . 1 . . . A 43 SER N . 30136 1 235 . 1 1 44 44 ILE H H 1 7.785 . . 1 . . . A 44 ILE H . 30136 1 236 . 1 1 44 44 ILE HD11 H 1 0.322 . . 1 . . . A 44 ILE HD11 . 30136 1 237 . 1 1 44 44 ILE HD12 H 1 0.322 . . 1 . . . A 44 ILE HD12 . 30136 1 238 . 1 1 44 44 ILE HD13 H 1 0.322 . . 1 . . . A 44 ILE HD13 . 30136 1 239 . 1 1 44 44 ILE CA C 13 64.023 . . 1 . . . A 44 ILE CA . 30136 1 240 . 1 1 44 44 ILE CD1 C 13 12.514 . . 1 . . . A 44 ILE CD1 . 30136 1 241 . 1 1 44 44 ILE N N 15 123.920 . . 1 . . . A 44 ILE N . 30136 1 242 . 1 1 45 45 GLU H H 1 8.009 . . 1 . . . A 45 GLU H . 30136 1 243 . 1 1 45 45 GLU CA C 13 59.052 . . 1 . . . A 45 GLU CA . 30136 1 244 . 1 1 45 45 GLU N N 15 118.772 . . 1 . . . A 45 GLU N . 30136 1 245 . 1 1 46 46 THR H H 1 7.934 . . 1 . . . A 46 THR H . 30136 1 246 . 1 1 46 46 THR HG21 H 1 1.177 . . 1 . . . A 46 THR HG21 . 30136 1 247 . 1 1 46 46 THR HG22 H 1 1.177 . . 1 . . . A 46 THR HG22 . 30136 1 248 . 1 1 46 46 THR HG23 H 1 1.177 . . 1 . . . A 46 THR HG23 . 30136 1 249 . 1 1 46 46 THR CA C 13 65.500 . . 1 . . . A 46 THR CA . 30136 1 250 . 1 1 46 46 THR CG2 C 13 21.558 . . 1 . . . A 46 THR CG2 . 30136 1 251 . 1 1 46 46 THR N N 15 112.187 . . 1 . . . A 46 THR N . 30136 1 252 . 1 1 47 47 VAL H H 1 7.421 . . 1 . . . A 47 VAL H . 30136 1 253 . 1 1 47 47 VAL HG11 H 1 0.296 . . 1 . . . A 47 VAL HG11 . 30136 1 254 . 1 1 47 47 VAL HG12 H 1 0.296 . . 1 . . . A 47 VAL HG12 . 30136 1 255 . 1 1 47 47 VAL HG13 H 1 0.296 . . 1 . . . A 47 VAL HG13 . 30136 1 256 . 1 1 47 47 VAL HG21 H 1 0.286 . . 1 . . . A 47 VAL HG21 . 30136 1 257 . 1 1 47 47 VAL HG22 H 1 0.286 . . 1 . . . A 47 VAL HG22 . 30136 1 258 . 1 1 47 47 VAL HG23 H 1 0.286 . . 1 . . . A 47 VAL HG23 . 30136 1 259 . 1 1 47 47 VAL CA C 13 64.176 . . 1 . . . A 47 VAL CA . 30136 1 260 . 1 1 47 47 VAL CG1 C 13 22.859 . . 1 . . . A 47 VAL CG1 . 30136 1 261 . 1 1 47 47 VAL CG2 C 13 20.466 . . 1 . . . A 47 VAL CG2 . 30136 1 262 . 1 1 47 47 VAL N N 15 119.068 . . 1 . . . A 47 VAL N . 30136 1 263 . 1 1 48 48 MET H H 1 7.766 . . 1 . . . A 48 MET H . 30136 1 264 . 1 1 48 48 MET HE1 H 1 2.079 . . 1 . . . A 48 MET HE1 . 30136 1 265 . 1 1 48 48 MET HE2 H 1 2.079 . . 1 . . . A 48 MET HE2 . 30136 1 266 . 1 1 48 48 MET HE3 H 1 2.079 . . 1 . . . A 48 MET HE3 . 30136 1 267 . 1 1 48 48 MET CA C 13 56.153 . . 1 . . . A 48 MET CA . 30136 1 268 . 1 1 48 48 MET CE C 13 17.120 . . 1 . . . A 48 MET CE . 30136 1 269 . 1 1 48 48 MET N N 15 118.864 . . 1 . . . A 48 MET N . 30136 1 270 . 1 1 49 49 GLU H H 1 7.601 . . 1 . . . A 49 GLU H . 30136 1 271 . 1 1 49 49 GLU CA C 13 56.399 . . 1 . . . A 49 GLU CA . 30136 1 272 . 1 1 49 49 GLU N N 15 117.405 . . 1 . . . A 49 GLU N . 30136 1 273 . 1 1 50 50 LYS H H 1 7.431 . . 1 . . . A 50 LYS H . 30136 1 274 . 1 1 50 50 LYS CA C 13 54.859 . . 1 . . . A 50 LYS CA . 30136 1 275 . 1 1 50 50 LYS N N 15 118.280 . . 1 . . . A 50 LYS N . 30136 1 276 . 1 1 51 51 GLN H H 1 8.374 . . 1 . . . A 51 GLN H . 30136 1 277 . 1 1 51 51 GLN CA C 13 55.121 . . 1 . . . A 51 GLN CA . 30136 1 278 . 1 1 51 51 GLN N N 15 120.320 . . 1 . . . A 51 GLN N . 30136 1 279 . 1 1 52 52 THR H H 1 8.354 . . 1 . . . A 52 THR H . 30136 1 280 . 1 1 52 52 THR HG21 H 1 1.343 . . 1 . . . A 52 THR HG21 . 30136 1 281 . 1 1 52 52 THR HG22 H 1 1.343 . . 1 . . . A 52 THR HG22 . 30136 1 282 . 1 1 52 52 THR HG23 H 1 1.343 . . 1 . . . A 52 THR HG23 . 30136 1 283 . 1 1 52 52 THR CA C 13 62.182 . . 1 . . . A 52 THR CA . 30136 1 284 . 1 1 52 52 THR CG2 C 13 22.705 . . 1 . . . A 52 THR CG2 . 30136 1 285 . 1 1 52 52 THR N N 15 116.158 . . 1 . . . A 52 THR N . 30136 1 286 . 1 1 54 54 PRO CA C 13 62.334 . . 1 . . . A 54 PRO CA . 30136 1 287 . 1 1 55 55 GLY H H 1 8.344 . . 1 . . . A 55 GLY H . 30136 1 288 . 1 1 55 55 GLY CA C 13 45.296 . . 1 . . . A 55 GLY CA . 30136 1 289 . 1 1 55 55 GLY N N 15 106.869 . . 1 . . . A 55 GLY N . 30136 1 290 . 1 1 56 56 ILE H H 1 7.514 . . 1 . . . A 56 ILE H . 30136 1 291 . 1 1 56 56 ILE HD11 H 1 0.733 . . 1 . . . A 56 ILE HD11 . 30136 1 292 . 1 1 56 56 ILE HD12 H 1 0.733 . . 1 . . . A 56 ILE HD12 . 30136 1 293 . 1 1 56 56 ILE HD13 H 1 0.733 . . 1 . . . A 56 ILE HD13 . 30136 1 294 . 1 1 56 56 ILE CA C 13 61.181 . . 1 . . . A 56 ILE CA . 30136 1 295 . 1 1 56 56 ILE CD1 C 13 13.096 . . 1 . . . A 56 ILE CD1 . 30136 1 296 . 1 1 56 56 ILE N N 15 117.741 . . 1 . . . A 56 ILE N . 30136 1 297 . 1 1 57 57 THR H H 1 6.951 . . 1 . . . A 57 THR H . 30136 1 298 . 1 1 57 57 THR HG21 H 1 1.344 . . 1 . . . A 57 THR HG21 . 30136 1 299 . 1 1 57 57 THR HG22 H 1 1.344 . . 1 . . . A 57 THR HG22 . 30136 1 300 . 1 1 57 57 THR HG23 H 1 1.344 . . 1 . . . A 57 THR HG23 . 30136 1 301 . 1 1 57 57 THR CA C 13 59.494 . . 1 . . . A 57 THR CA . 30136 1 302 . 1 1 57 57 THR CG2 C 13 21.828 . . 1 . . . A 57 THR CG2 . 30136 1 303 . 1 1 57 57 THR N N 15 114.748 . . 1 . . . A 57 THR N . 30136 1 304 . 1 1 58 58 ARG CA C 13 58.722 . . 1 . . . A 58 ARG CA . 30136 1 305 . 1 1 59 59 SER H H 1 8.197 . . 1 . . . A 59 SER H . 30136 1 306 . 1 1 59 59 SER CA C 13 61.210 . . 1 . . . A 59 SER CA . 30136 1 307 . 1 1 59 59 SER N N 15 115.768 . . 1 . . . A 59 SER N . 30136 1 308 . 1 1 60 60 ILE H H 1 7.384 . . 1 . . . A 60 ILE H . 30136 1 309 . 1 1 60 60 ILE HD11 H 1 1.006 . . 1 . . . A 60 ILE HD11 . 30136 1 310 . 1 1 60 60 ILE HD12 H 1 1.006 . . 1 . . . A 60 ILE HD12 . 30136 1 311 . 1 1 60 60 ILE HD13 H 1 1.006 . . 1 . . . A 60 ILE HD13 . 30136 1 312 . 1 1 60 60 ILE CA C 13 63.850 . . 1 . . . A 60 ILE CA . 30136 1 313 . 1 1 60 60 ILE CD1 C 13 12.445 . . 1 . . . A 60 ILE CD1 . 30136 1 314 . 1 1 60 60 ILE N N 15 122.746 . . 1 . . . A 60 ILE N . 30136 1 315 . 1 1 61 61 GLN H H 1 8.700 . . 1 . . . A 61 GLN H . 30136 1 316 . 1 1 61 61 GLN CA C 13 59.775 . . 1 . . . A 61 GLN CA . 30136 1 317 . 1 1 61 61 GLN N N 15 121.246 . . 1 . . . A 61 GLN N . 30136 1 318 . 1 1 62 62 ASP H H 1 8.537 . . 1 . . . A 62 ASP H . 30136 1 319 . 1 1 62 62 ASP CA C 13 56.702 . . 1 . . . A 62 ASP CA . 30136 1 320 . 1 1 62 62 ASP N N 15 117.292 . . 1 . . . A 62 ASP N . 30136 1 321 . 1 1 63 63 MET H H 1 7.681 . . 1 . . . A 63 MET H . 30136 1 322 . 1 1 63 63 MET HE1 H 1 2.167 . . 1 . . . A 63 MET HE1 . 30136 1 323 . 1 1 63 63 MET HE2 H 1 2.167 . . 1 . . . A 63 MET HE2 . 30136 1 324 . 1 1 63 63 MET HE3 H 1 2.167 . . 1 . . . A 63 MET HE3 . 30136 1 325 . 1 1 63 63 MET CA C 13 57.881 . . 1 . . . A 63 MET CA . 30136 1 326 . 1 1 63 63 MET CE C 13 16.892 . . 1 . . . A 63 MET CE . 30136 1 327 . 1 1 63 63 MET N N 15 120.946 . . 1 . . . A 63 MET N . 30136 1 328 . 1 1 64 64 VAL H H 1 8.536 . . 1 . . . A 64 VAL H . 30136 1 329 . 1 1 64 64 VAL HG11 H 1 0.460 . . 1 . . . A 64 VAL HG11 . 30136 1 330 . 1 1 64 64 VAL HG12 H 1 0.460 . . 1 . . . A 64 VAL HG12 . 30136 1 331 . 1 1 64 64 VAL HG13 H 1 0.460 . . 1 . . . A 64 VAL HG13 . 30136 1 332 . 1 1 64 64 VAL HG21 H 1 1.067 . . 1 . . . A 64 VAL HG21 . 30136 1 333 . 1 1 64 64 VAL HG22 H 1 1.067 . . 1 . . . A 64 VAL HG22 . 30136 1 334 . 1 1 64 64 VAL HG23 H 1 1.067 . . 1 . . . A 64 VAL HG23 . 30136 1 335 . 1 1 64 64 VAL CA C 13 66.299 . . 1 . . . A 64 VAL CA . 30136 1 336 . 1 1 64 64 VAL CG1 C 13 22.012 . . 1 . . . A 64 VAL CG1 . 30136 1 337 . 1 1 64 64 VAL CG2 C 13 24.044 . . 1 . . . A 64 VAL CG2 . 30136 1 338 . 1 1 64 64 VAL N N 15 118.999 . . 1 . . . A 64 VAL N . 30136 1 339 . 1 1 65 65 ALA H H 1 8.790 . . 1 . . . A 65 ALA H . 30136 1 340 . 1 1 65 65 ALA HB1 H 1 1.424 . . 1 . . . A 65 ALA HB1 . 30136 1 341 . 1 1 65 65 ALA HB2 H 1 1.424 . . 1 . . . A 65 ALA HB2 . 30136 1 342 . 1 1 65 65 ALA HB3 H 1 1.424 . . 1 . . . A 65 ALA HB3 . 30136 1 343 . 1 1 65 65 ALA CA C 13 55.138 . . 1 . . . A 65 ALA CA . 30136 1 344 . 1 1 65 65 ALA CB C 13 17.385 . . 1 . . . A 65 ALA CB . 30136 1 345 . 1 1 65 65 ALA N N 15 122.083 . . 1 . . . A 65 ALA N . 30136 1 346 . 1 1 66 66 GLY H H 1 7.643 . . 1 . . . A 66 GLY H . 30136 1 347 . 1 1 66 66 GLY CA C 13 46.431 . . 1 . . . A 66 GLY CA . 30136 1 348 . 1 1 66 66 GLY N N 15 103.875 . . 1 . . . A 66 GLY N . 30136 1 349 . 1 1 67 67 TYR H H 1 7.463 . . 1 . . . A 67 TYR H . 30136 1 350 . 1 1 67 67 TYR HD1 H 1 7.083 . . 1 . . . A 67 TYR HD1 . 30136 1 351 . 1 1 67 67 TYR HD2 H 1 7.083 . . 1 . . . A 67 TYR HD2 . 30136 1 352 . 1 1 67 67 TYR HE1 H 1 6.844 . . 1 . . . A 67 TYR HE1 . 30136 1 353 . 1 1 67 67 TYR HE2 H 1 6.844 . . 1 . . . A 67 TYR HE2 . 30136 1 354 . 1 1 67 67 TYR CA C 13 58.473 . . 1 . . . A 67 TYR CA . 30136 1 355 . 1 1 67 67 TYR CD1 C 13 132.252 . . 1 . . . A 67 TYR CD1 . 30136 1 356 . 1 1 67 67 TYR CD2 C 13 132.252 . . 1 . . . A 67 TYR CD2 . 30136 1 357 . 1 1 67 67 TYR CE1 C 13 118.803 . . 1 . . . A 67 TYR CE1 . 30136 1 358 . 1 1 67 67 TYR CE2 C 13 118.803 . . 1 . . . A 67 TYR CE2 . 30136 1 359 . 1 1 67 67 TYR N N 15 122.394 . . 1 . . . A 67 TYR N . 30136 1 360 . 1 1 68 68 ILE H H 1 8.389 . . 1 . . . A 68 ILE H . 30136 1 361 . 1 1 68 68 ILE HD11 H 1 -0.002 . . 1 . . . A 68 ILE HD11 . 30136 1 362 . 1 1 68 68 ILE HD12 H 1 -0.002 . . 1 . . . A 68 ILE HD12 . 30136 1 363 . 1 1 68 68 ILE HD13 H 1 -0.002 . . 1 . . . A 68 ILE HD13 . 30136 1 364 . 1 1 68 68 ILE CA C 13 65.821 . . 1 . . . A 68 ILE CA . 30136 1 365 . 1 1 68 68 ILE CD1 C 13 13.909 . . 1 . . . A 68 ILE CD1 . 30136 1 366 . 1 1 68 68 ILE N N 15 122.603 . . 1 . . . A 68 ILE N . 30136 1 367 . 1 1 69 69 LYS H H 1 8.653 . . 1 . . . A 69 LYS H . 30136 1 368 . 1 1 69 69 LYS CA C 13 59.135 . . 1 . . . A 69 LYS CA . 30136 1 369 . 1 1 69 69 LYS N N 15 120.652 . . 1 . . . A 69 LYS N . 30136 1 370 . 1 1 70 70 GLN CA C 13 58.308 . . 1 . . . A 70 GLN CA . 30136 1 371 . 1 1 71 71 THR H H 1 7.834 . . 1 . . . A 71 THR H . 30136 1 372 . 1 1 71 71 THR HG21 H 1 1.552 . . 1 . . . A 71 THR HG21 . 30136 1 373 . 1 1 71 71 THR HG22 H 1 1.552 . . 1 . . . A 71 THR HG22 . 30136 1 374 . 1 1 71 71 THR HG23 H 1 1.552 . . 1 . . . A 71 THR HG23 . 30136 1 375 . 1 1 71 71 THR CA C 13 66.888 . . 1 . . . A 71 THR CA . 30136 1 376 . 1 1 71 71 THR CG2 C 13 23.244 . . 1 . . . A 71 THR CG2 . 30136 1 377 . 1 1 71 71 THR N N 15 116.540 . . 1 . . . A 71 THR N . 30136 1 378 . 1 1 72 72 LEU H H 1 8.538 . . 1 . . . A 72 LEU H . 30136 1 379 . 1 1 72 72 LEU HD11 H 1 0.699 . . 1 . . . A 72 LEU HD11 . 30136 1 380 . 1 1 72 72 LEU HD12 H 1 0.699 . . 1 . . . A 72 LEU HD12 . 30136 1 381 . 1 1 72 72 LEU HD13 H 1 0.699 . . 1 . . . A 72 LEU HD13 . 30136 1 382 . 1 1 72 72 LEU HD21 H 1 0.811 . . 1 . . . A 72 LEU HD21 . 30136 1 383 . 1 1 72 72 LEU HD22 H 1 0.811 . . 1 . . . A 72 LEU HD22 . 30136 1 384 . 1 1 72 72 LEU HD23 H 1 0.811 . . 1 . . . A 72 LEU HD23 . 30136 1 385 . 1 1 72 72 LEU CA C 13 57.835 . . 1 . . . A 72 LEU CA . 30136 1 386 . 1 1 72 72 LEU CD1 C 13 25.285 . . 1 . . . A 72 LEU CD1 . 30136 1 387 . 1 1 72 72 LEU CD2 C 13 22.736 . . 1 . . . A 72 LEU CD2 . 30136 1 388 . 1 1 72 72 LEU N N 15 122.455 . . 1 . . . A 72 LEU N . 30136 1 389 . 1 1 73 73 ASP H H 1 8.832 . . 1 . . . A 73 ASP H . 30136 1 390 . 1 1 73 73 ASP CA C 13 57.286 . . 1 . . . A 73 ASP CA . 30136 1 391 . 1 1 73 73 ASP N N 15 120.799 . . 1 . . . A 73 ASP N . 30136 1 392 . 1 1 74 74 ASN CA C 13 57.885 . . 1 . . . A 74 ASN CA . 30136 1 393 . 1 1 75 75 GLU H H 1 8.918 . . 1 . . . A 75 GLU H . 30136 1 394 . 1 1 75 75 GLU CA C 13 56.899 . . 1 . . . A 75 GLU CA . 30136 1 395 . 1 1 75 75 GLU N N 15 122.028 . . 1 . . . A 75 GLU N . 30136 1 396 . 1 1 76 76 GLN H H 1 8.524 . . 1 . . . A 76 GLN H . 30136 1 397 . 1 1 76 76 GLN CA C 13 55.125 . . 1 . . . A 76 GLN CA . 30136 1 398 . 1 1 76 76 GLN N N 15 120.963 . . 1 . . . A 76 GLN N . 30136 1 399 . 1 1 77 77 LEU H H 1 8.864 . . 1 . . . A 77 LEU H . 30136 1 400 . 1 1 77 77 LEU HD11 H 1 0.760 . . 1 . . . A 77 LEU HD11 . 30136 1 401 . 1 1 77 77 LEU HD12 H 1 0.760 . . 1 . . . A 77 LEU HD12 . 30136 1 402 . 1 1 77 77 LEU HD13 H 1 0.760 . . 1 . . . A 77 LEU HD13 . 30136 1 403 . 1 1 77 77 LEU HD21 H 1 1.001 . . 1 . . . A 77 LEU HD21 . 30136 1 404 . 1 1 77 77 LEU HD22 H 1 1.001 . . 1 . . . A 77 LEU HD22 . 30136 1 405 . 1 1 77 77 LEU HD23 H 1 1.001 . . 1 . . . A 77 LEU HD23 . 30136 1 406 . 1 1 77 77 LEU CA C 13 59.693 . . 1 . . . A 77 LEU CA . 30136 1 407 . 1 1 77 77 LEU CD1 C 13 25.360 . . 1 . . . A 77 LEU CD1 . 30136 1 408 . 1 1 77 77 LEU CD2 C 13 25.120 . . 1 . . . A 77 LEU CD2 . 30136 1 409 . 1 1 77 77 LEU N N 15 122.254 . . 1 . . . A 77 LEU N . 30136 1 410 . 1 1 78 78 LEU H H 1 7.908 . . 1 . . . A 78 LEU H . 30136 1 411 . 1 1 78 78 LEU HD11 H 1 0.999 . . 1 . . . A 78 LEU HD11 . 30136 1 412 . 1 1 78 78 LEU HD12 H 1 0.999 . . 1 . . . A 78 LEU HD12 . 30136 1 413 . 1 1 78 78 LEU HD13 H 1 0.999 . . 1 . . . A 78 LEU HD13 . 30136 1 414 . 1 1 78 78 LEU HD21 H 1 0.941 . . 1 . . . A 78 LEU HD21 . 30136 1 415 . 1 1 78 78 LEU HD22 H 1 0.941 . . 1 . . . A 78 LEU HD22 . 30136 1 416 . 1 1 78 78 LEU HD23 H 1 0.941 . . 1 . . . A 78 LEU HD23 . 30136 1 417 . 1 1 78 78 LEU CA C 13 58.345 . . 1 . . . A 78 LEU CA . 30136 1 418 . 1 1 78 78 LEU CD1 C 13 25.355 . . 1 . . . A 78 LEU CD1 . 30136 1 419 . 1 1 78 78 LEU CD2 C 13 22.715 . . 1 . . . A 78 LEU CD2 . 30136 1 420 . 1 1 78 78 LEU N N 15 119.078 . . 1 . . . A 78 LEU N . 30136 1 421 . 1 1 79 79 LYS H H 1 8.276 . . 1 . . . A 79 LYS H . 30136 1 422 . 1 1 79 79 LYS CA C 13 59.735 . . 1 . . . A 79 LYS CA . 30136 1 423 . 1 1 79 79 LYS N N 15 118.562 . . 1 . . . A 79 LYS N . 30136 1 424 . 1 1 80 80 GLY H H 1 7.729 . . 1 . . . A 80 GLY H . 30136 1 425 . 1 1 80 80 GLY CA C 13 46.604 . . 1 . . . A 80 GLY CA . 30136 1 426 . 1 1 80 80 GLY N N 15 104.585 . . 1 . . . A 80 GLY N . 30136 1 427 . 1 1 81 81 LEU H H 1 7.845 . . 1 . . . A 81 LEU H . 30136 1 428 . 1 1 81 81 LEU HD11 H 1 0.432 . . 1 . . . A 81 LEU HD11 . 30136 1 429 . 1 1 81 81 LEU HD12 H 1 0.432 . . 1 . . . A 81 LEU HD12 . 30136 1 430 . 1 1 81 81 LEU HD13 H 1 0.432 . . 1 . . . A 81 LEU HD13 . 30136 1 431 . 1 1 81 81 LEU HD21 H 1 0.482 . . 1 . . . A 81 LEU HD21 . 30136 1 432 . 1 1 81 81 LEU HD22 H 1 0.482 . . 1 . . . A 81 LEU HD22 . 30136 1 433 . 1 1 81 81 LEU HD23 H 1 0.482 . . 1 . . . A 81 LEU HD23 . 30136 1 434 . 1 1 81 81 LEU CA C 13 57.370 . . 1 . . . A 81 LEU CA . 30136 1 435 . 1 1 81 81 LEU CD1 C 13 25.248 . . 1 . . . A 81 LEU CD1 . 30136 1 436 . 1 1 81 81 LEU CD2 C 13 22.619 . . 1 . . . A 81 LEU CD2 . 30136 1 437 . 1 1 81 81 LEU N N 15 123.272 . . 1 . . . A 81 LEU N . 30136 1 438 . 1 1 82 82 LEU H H 1 8.503 . . 1 . . . A 82 LEU H . 30136 1 439 . 1 1 82 82 LEU HD11 H 1 1.008 . . 1 . . . A 82 LEU HD11 . 30136 1 440 . 1 1 82 82 LEU HD12 H 1 1.008 . . 1 . . . A 82 LEU HD12 . 30136 1 441 . 1 1 82 82 LEU HD13 H 1 1.008 . . 1 . . . A 82 LEU HD13 . 30136 1 442 . 1 1 82 82 LEU HD21 H 1 0.969 . . 1 . . . A 82 LEU HD21 . 30136 1 443 . 1 1 82 82 LEU HD22 H 1 0.969 . . 1 . . . A 82 LEU HD22 . 30136 1 444 . 1 1 82 82 LEU HD23 H 1 0.969 . . 1 . . . A 82 LEU HD23 . 30136 1 445 . 1 1 82 82 LEU CA C 13 56.967 . . 1 . . . A 82 LEU CA . 30136 1 446 . 1 1 82 82 LEU CD1 C 13 25.363 . . 1 . . . A 82 LEU CD1 . 30136 1 447 . 1 1 82 82 LEU CD2 C 13 23.936 . . 1 . . . A 82 LEU CD2 . 30136 1 448 . 1 1 82 82 LEU N N 15 120.967 . . 1 . . . A 82 LEU N . 30136 1 449 . 1 1 83 83 GLN H H 1 8.052 . . 1 . . . A 83 GLN H . 30136 1 450 . 1 1 83 83 GLN CA C 13 58.869 . . 1 . . . A 83 GLN CA . 30136 1 451 . 1 1 83 83 GLN N N 15 121.454 . . 1 . . . A 83 GLN N . 30136 1 452 . 1 1 84 84 GLN H H 1 8.281 . . 1 . . . A 84 GLN H . 30136 1 453 . 1 1 84 84 GLN CA C 13 57.334 . . 1 . . . A 84 GLN CA . 30136 1 454 . 1 1 84 84 GLN N N 15 119.198 . . 1 . . . A 84 GLN N . 30136 1 455 . 1 1 85 85 ARG H H 1 8.409 . . 1 . . . A 85 ARG H . 30136 1 456 . 1 1 85 85 ARG CA C 13 55.221 . . 1 . . . A 85 ARG CA . 30136 1 457 . 1 1 85 85 ARG N N 15 119.744 . . 1 . . . A 85 ARG N . 30136 1 458 . 1 1 86 86 LEU HD11 H 1 0.916 . . 1 . . . A 86 LEU HD11 . 30136 1 459 . 1 1 86 86 LEU HD12 H 1 0.916 . . 1 . . . A 86 LEU HD12 . 30136 1 460 . 1 1 86 86 LEU HD13 H 1 0.916 . . 1 . . . A 86 LEU HD13 . 30136 1 461 . 1 1 86 86 LEU HD21 H 1 0.866 . . 1 . . . A 86 LEU HD21 . 30136 1 462 . 1 1 86 86 LEU HD22 H 1 0.866 . . 1 . . . A 86 LEU HD22 . 30136 1 463 . 1 1 86 86 LEU HD23 H 1 0.866 . . 1 . . . A 86 LEU HD23 . 30136 1 464 . 1 1 86 86 LEU CD1 C 13 24.403 . . 1 . . . A 86 LEU CD1 . 30136 1 465 . 1 1 86 86 LEU CD2 C 13 23.201 . . 1 . . . A 86 LEU CD2 . 30136 1 466 . 1 1 88 88 GLU H H 1 8.194 . . 1 . . . A 88 GLU H . 30136 1 467 . 1 1 88 88 GLU CA C 13 59.505 . . 1 . . . A 88 GLU CA . 30136 1 468 . 1 1 88 88 GLU N N 15 123.177 . . 1 . . . A 88 GLU N . 30136 1 469 . 1 1 89 89 LEU H H 1 9.061 . . 1 . . . A 89 LEU H . 30136 1 470 . 1 1 89 89 LEU HD11 H 1 0.873 . . 1 . . . A 89 LEU HD11 . 30136 1 471 . 1 1 89 89 LEU HD12 H 1 0.873 . . 1 . . . A 89 LEU HD12 . 30136 1 472 . 1 1 89 89 LEU HD13 H 1 0.873 . . 1 . . . A 89 LEU HD13 . 30136 1 473 . 1 1 89 89 LEU HD21 H 1 0.886 . . 1 . . . A 89 LEU HD21 . 30136 1 474 . 1 1 89 89 LEU HD22 H 1 0.886 . . 1 . . . A 89 LEU HD22 . 30136 1 475 . 1 1 89 89 LEU HD23 H 1 0.886 . . 1 . . . A 89 LEU HD23 . 30136 1 476 . 1 1 89 89 LEU CA C 13 58.425 . . 1 . . . A 89 LEU CA . 30136 1 477 . 1 1 89 89 LEU CD1 C 13 24.859 . . 1 . . . A 89 LEU CD1 . 30136 1 478 . 1 1 89 89 LEU CD2 C 13 23.045 . . 1 . . . A 89 LEU CD2 . 30136 1 479 . 1 1 89 89 LEU N N 15 122.096 . . 1 . . . A 89 LEU N . 30136 1 480 . 1 1 90 90 SER H H 1 8.437 . . 1 . . . A 90 SER H . 30136 1 481 . 1 1 90 90 SER CA C 13 60.885 . . 1 . . . A 90 SER CA . 30136 1 482 . 1 1 90 90 SER N N 15 112.112 . . 1 . . . A 90 SER N . 30136 1 483 . 1 1 91 91 SER H H 1 7.820 . . 1 . . . A 91 SER H . 30136 1 484 . 1 1 91 91 SER CA C 13 60.800 . . 1 . . . A 91 SER CA . 30136 1 485 . 1 1 91 91 SER N N 15 117.561 . . 1 . . . A 91 SER N . 30136 1 486 . 1 1 92 92 LEU HD11 H 1 0.946 . . 1 . . . A 92 LEU HD11 . 30136 1 487 . 1 1 92 92 LEU HD12 H 1 0.946 . . 1 . . . A 92 LEU HD12 . 30136 1 488 . 1 1 92 92 LEU HD13 H 1 0.946 . . 1 . . . A 92 LEU HD13 . 30136 1 489 . 1 1 92 92 LEU HD21 H 1 1.124 . . 1 . . . A 92 LEU HD21 . 30136 1 490 . 1 1 92 92 LEU HD22 H 1 1.124 . . 1 . . . A 92 LEU HD22 . 30136 1 491 . 1 1 92 92 LEU HD23 H 1 1.124 . . 1 . . . A 92 LEU HD23 . 30136 1 492 . 1 1 92 92 LEU CA C 13 55.969 . . 1 . . . A 92 LEU CA . 30136 1 493 . 1 1 92 92 LEU CD1 C 13 25.686 . . 1 . . . A 92 LEU CD1 . 30136 1 494 . 1 1 92 92 LEU CD2 C 13 23.200 . . 1 . . . A 92 LEU CD2 . 30136 1 495 . 1 1 93 93 ILE H H 1 8.471 . . 1 . . . A 93 ILE H . 30136 1 496 . 1 1 93 93 ILE HD11 H 1 0.831 . . 1 . . . A 93 ILE HD11 . 30136 1 497 . 1 1 93 93 ILE HD12 H 1 0.831 . . 1 . . . A 93 ILE HD12 . 30136 1 498 . 1 1 93 93 ILE HD13 H 1 0.831 . . 1 . . . A 93 ILE HD13 . 30136 1 499 . 1 1 93 93 ILE CA C 13 62.569 . . 1 . . . A 93 ILE CA . 30136 1 500 . 1 1 93 93 ILE CD1 C 13 13.572 . . 1 . . . A 93 ILE CD1 . 30136 1 501 . 1 1 93 93 ILE N N 15 120.598 . . 1 . . . A 93 ILE N . 30136 1 502 . 1 1 94 94 GLY H H 1 7.995 . . 1 . . . A 94 GLY H . 30136 1 503 . 1 1 94 94 GLY CA C 13 45.683 . . 1 . . . A 94 GLY CA . 30136 1 504 . 1 1 94 94 GLY N N 15 107.761 . . 1 . . . A 94 GLY N . 30136 1 505 . 1 1 95 95 GLN H H 1 8.047 . . 1 . . . A 95 GLN H . 30136 1 506 . 1 1 95 95 GLN CA C 13 56.022 . . 1 . . . A 95 GLN CA . 30136 1 507 . 1 1 95 95 GLN N N 15 120.132 . . 1 . . . A 95 GLN N . 30136 1 508 . 1 1 97 97 THR HG21 H 1 1.097 . . 1 . . . A 97 THR HG21 . 30136 1 509 . 1 1 97 97 THR HG22 H 1 1.097 . . 1 . . . A 97 THR HG22 . 30136 1 510 . 1 1 97 97 THR HG23 H 1 1.097 . . 1 . . . A 97 THR HG23 . 30136 1 511 . 1 1 97 97 THR CG2 C 13 21.854 . . 1 . . . A 97 THR CG2 . 30136 1 512 . 1 1 98 98 ARG H H 1 8.440 . . 1 . . . A 98 ARG H . 30136 1 513 . 1 1 98 98 ARG N N 15 118.605 . . 1 . . . A 98 ARG N . 30136 1 514 . 1 1 99 99 GLN H H 1 8.480 . . 1 . . . A 99 GLN H . 30136 1 515 . 1 1 99 99 GLN N N 15 117.668 . . 1 . . . A 99 GLN N . 30136 1 516 . 1 1 102 102 LEU HD11 H 1 0.963 . . 1 . . . A 102 LEU HD11 . 30136 1 517 . 1 1 102 102 LEU HD12 H 1 0.963 . . 1 . . . A 102 LEU HD12 . 30136 1 518 . 1 1 102 102 LEU HD13 H 1 0.963 . . 1 . . . A 102 LEU HD13 . 30136 1 519 . 1 1 102 102 LEU HD21 H 1 0.937 . . 1 . . . A 102 LEU HD21 . 30136 1 520 . 1 1 102 102 LEU HD22 H 1 0.937 . . 1 . . . A 102 LEU HD22 . 30136 1 521 . 1 1 102 102 LEU HD23 H 1 0.937 . . 1 . . . A 102 LEU HD23 . 30136 1 522 . 1 1 102 102 LEU CD1 C 13 24.773 . . 1 . . . A 102 LEU CD1 . 30136 1 523 . 1 1 102 102 LEU CD2 C 13 24.257 . . 1 . . . A 102 LEU CD2 . 30136 1 524 . 1 1 104 104 ASN CA C 13 54.733 . . 1 . . . A 104 ASN CA . 30136 1 525 . 1 1 105 105 ALA H H 1 8.361 . . 1 . . . A 105 ALA H . 30136 1 526 . 1 1 105 105 ALA HB1 H 1 1.732 . . 1 . . . A 105 ALA HB1 . 30136 1 527 . 1 1 105 105 ALA HB2 H 1 1.732 . . 1 . . . A 105 ALA HB2 . 30136 1 528 . 1 1 105 105 ALA HB3 H 1 1.732 . . 1 . . . A 105 ALA HB3 . 30136 1 529 . 1 1 105 105 ALA CA C 13 54.760 . . 1 . . . A 105 ALA CA . 30136 1 530 . 1 1 105 105 ALA CB C 13 18.357 . . 1 . . . A 105 ALA CB . 30136 1 531 . 1 1 105 105 ALA N N 15 123.410 . . 1 . . . A 105 ALA N . 30136 1 532 . 1 1 106 106 TYR H H 1 8.530 . . 1 . . . A 106 TYR H . 30136 1 533 . 1 1 106 106 TYR HD1 H 1 7.029 . . 1 . . . A 106 TYR HD1 . 30136 1 534 . 1 1 106 106 TYR HD2 H 1 7.027 . . 1 . . . A 106 TYR HD2 . 30136 1 535 . 1 1 106 106 TYR HE1 H 1 6.788 . . 1 . . . A 106 TYR HE1 . 30136 1 536 . 1 1 106 106 TYR HE2 H 1 6.777 . . 1 . . . A 106 TYR HE2 . 30136 1 537 . 1 1 106 106 TYR CA C 13 61.030 . . 1 . . . A 106 TYR CA . 30136 1 538 . 1 1 106 106 TYR CD1 C 13 133.015 . . 1 . . . A 106 TYR CD1 . 30136 1 539 . 1 1 106 106 TYR CD2 C 13 133.015 . . 1 . . . A 106 TYR CD2 . 30136 1 540 . 1 1 106 106 TYR CE1 C 13 118.818 . . 1 . . . A 106 TYR CE1 . 30136 1 541 . 1 1 106 106 TYR N N 15 118.146 . . 1 . . . A 106 TYR N . 30136 1 542 . 1 1 107 107 GLY H H 1 8.451 . . 1 . . . A 107 GLY H . 30136 1 543 . 1 1 107 107 GLY CA C 13 46.477 . . 1 . . . A 107 GLY CA . 30136 1 544 . 1 1 107 107 GLY N N 15 107.720 . . 1 . . . A 107 GLY N . 30136 1 545 . 1 1 108 108 ARG H H 1 8.014 . . 1 . . . A 108 ARG H . 30136 1 546 . 1 1 108 108 ARG CA C 13 57.901 . . 1 . . . A 108 ARG CA . 30136 1 547 . 1 1 108 108 ARG N N 15 120.471 . . 1 . . . A 108 ARG N . 30136 1 548 . 1 1 109 109 LEU H H 1 7.827 . . 1 . . . A 109 LEU H . 30136 1 549 . 1 1 109 109 LEU HD11 H 1 0.766 . . 1 . . . A 109 LEU HD11 . 30136 1 550 . 1 1 109 109 LEU HD12 H 1 0.766 . . 1 . . . A 109 LEU HD12 . 30136 1 551 . 1 1 109 109 LEU HD13 H 1 0.766 . . 1 . . . A 109 LEU HD13 . 30136 1 552 . 1 1 109 109 LEU HD21 H 1 0.752 . . 1 . . . A 109 LEU HD21 . 30136 1 553 . 1 1 109 109 LEU HD22 H 1 0.752 . . 1 . . . A 109 LEU HD22 . 30136 1 554 . 1 1 109 109 LEU HD23 H 1 0.752 . . 1 . . . A 109 LEU HD23 . 30136 1 555 . 1 1 109 109 LEU CA C 13 56.078 . . 1 . . . A 109 LEU CA . 30136 1 556 . 1 1 109 109 LEU CD1 C 13 25.518 . . 1 . . . A 109 LEU CD1 . 30136 1 557 . 1 1 109 109 LEU CD2 C 13 25.106 . . 1 . . . A 109 LEU CD2 . 30136 1 558 . 1 1 109 109 LEU N N 15 119.306 . . 1 . . . A 109 LEU N . 30136 1 559 . 1 1 110 110 SER H H 1 8.003 . . 1 . . . A 110 SER H . 30136 1 560 . 1 1 110 110 SER CA C 13 59.601 . . 1 . . . A 110 SER CA . 30136 1 561 . 1 1 110 110 SER N N 15 112.306 . . 1 . . . A 110 SER N . 30136 1 562 . 1 1 111 111 GLY H H 1 7.642 . . 1 . . . A 111 GLY H . 30136 1 563 . 1 1 111 111 GLY CA C 13 44.731 . . 1 . . . A 111 GLY CA . 30136 1 564 . 1 1 111 111 GLY N N 15 108.486 . . 1 . . . A 111 GLY N . 30136 1 565 . 1 1 112 112 MET H H 1 7.575 . . 1 . . . A 112 MET H . 30136 1 566 . 1 1 112 112 MET HE1 H 1 2.096 . . 1 . . . A 112 MET HE1 . 30136 1 567 . 1 1 112 112 MET HE2 H 1 2.096 . . 1 . . . A 112 MET HE2 . 30136 1 568 . 1 1 112 112 MET HE3 H 1 2.096 . . 1 . . . A 112 MET HE3 . 30136 1 569 . 1 1 112 112 MET CA C 13 55.639 . . 1 . . . A 112 MET CA . 30136 1 570 . 1 1 112 112 MET CE C 13 17.138 . . 1 . . . A 112 MET CE . 30136 1 571 . 1 1 112 112 MET N N 15 119.261 . . 1 . . . A 112 MET N . 30136 1 572 . 1 1 113 113 LEU H H 1 8.077 . . 1 . . . A 113 LEU H . 30136 1 573 . 1 1 113 113 LEU HD11 H 1 0.834 . . 1 . . . A 113 LEU HD11 . 30136 1 574 . 1 1 113 113 LEU HD12 H 1 0.834 . . 1 . . . A 113 LEU HD12 . 30136 1 575 . 1 1 113 113 LEU HD13 H 1 0.834 . . 1 . . . A 113 LEU HD13 . 30136 1 576 . 1 1 113 113 LEU HD21 H 1 0.766 . . 1 . . . A 113 LEU HD21 . 30136 1 577 . 1 1 113 113 LEU HD22 H 1 0.766 . . 1 . . . A 113 LEU HD22 . 30136 1 578 . 1 1 113 113 LEU HD23 H 1 0.766 . . 1 . . . A 113 LEU HD23 . 30136 1 579 . 1 1 113 113 LEU CA C 13 54.316 . . 1 . . . A 113 LEU CA . 30136 1 580 . 1 1 113 113 LEU CD1 C 13 25.001 . . 1 . . . A 113 LEU CD1 . 30136 1 581 . 1 1 113 113 LEU CD2 C 13 23.119 . . 1 . . . A 113 LEU CD2 . 30136 1 582 . 1 1 113 113 LEU N N 15 122.192 . . 1 . . . A 113 LEU N . 30136 1 583 . 1 1 114 114 LEU H H 1 8.210 . . 1 . . . A 114 LEU H . 30136 1 584 . 1 1 114 114 LEU HD11 H 1 0.909 . . 1 . . . A 114 LEU HD11 . 30136 1 585 . 1 1 114 114 LEU HD12 H 1 0.909 . . 1 . . . A 114 LEU HD12 . 30136 1 586 . 1 1 114 114 LEU HD13 H 1 0.909 . . 1 . . . A 114 LEU HD13 . 30136 1 587 . 1 1 114 114 LEU HD21 H 1 0.852 . . 1 . . . A 114 LEU HD21 . 30136 1 588 . 1 1 114 114 LEU HD22 H 1 0.852 . . 1 . . . A 114 LEU HD22 . 30136 1 589 . 1 1 114 114 LEU HD23 H 1 0.852 . . 1 . . . A 114 LEU HD23 . 30136 1 590 . 1 1 114 114 LEU CA C 13 53.987 . . 1 . . . A 114 LEU CA . 30136 1 591 . 1 1 114 114 LEU CD1 C 13 24.617 . . 1 . . . A 114 LEU CD1 . 30136 1 592 . 1 1 114 114 LEU CD2 C 13 23.733 . . 1 . . . A 114 LEU CD2 . 30136 1 593 . 1 1 114 114 LEU N N 15 123.822 . . 1 . . . A 114 LEU N . 30136 1 594 . 1 1 115 115 VAL H H 1 8.122 . . 1 . . . A 115 VAL H . 30136 1 595 . 1 1 115 115 VAL HG11 H 1 0.889 . . 1 . . . A 115 VAL HG11 . 30136 1 596 . 1 1 115 115 VAL HG12 H 1 0.889 . . 1 . . . A 115 VAL HG12 . 30136 1 597 . 1 1 115 115 VAL HG13 H 1 0.889 . . 1 . . . A 115 VAL HG13 . 30136 1 598 . 1 1 115 115 VAL HG21 H 1 0.968 . . 1 . . . A 115 VAL HG21 . 30136 1 599 . 1 1 115 115 VAL HG22 H 1 0.968 . . 1 . . . A 115 VAL HG22 . 30136 1 600 . 1 1 115 115 VAL HG23 H 1 0.968 . . 1 . . . A 115 VAL HG23 . 30136 1 601 . 1 1 115 115 VAL CA C 13 58.917 . . 1 . . . A 115 VAL CA . 30136 1 602 . 1 1 115 115 VAL CG1 C 13 19.922 . . 1 . . . A 115 VAL CG1 . 30136 1 603 . 1 1 115 115 VAL CG2 C 13 21.061 . . 1 . . . A 115 VAL CG2 . 30136 1 604 . 1 1 115 115 VAL N N 15 121.702 . . 1 . . . A 115 VAL N . 30136 1 605 . 1 1 116 116 PRO CA C 13 62.578 . . 1 . . . A 116 PRO CA . 30136 1 606 . 1 1 117 117 ASP H H 1 8.339 . . 1 . . . A 117 ASP H . 30136 1 607 . 1 1 117 117 ASP CA C 13 53.794 . . 1 . . . A 117 ASP CA . 30136 1 608 . 1 1 117 117 ASP N N 15 120.084 . . 1 . . . A 117 ASP N . 30136 1 609 . 1 1 118 118 ALA H H 1 8.168 . . 1 . . . A 118 ALA H . 30136 1 610 . 1 1 118 118 ALA HB1 H 1 1.355 . . 1 . . . A 118 ALA HB1 . 30136 1 611 . 1 1 118 118 ALA HB2 H 1 1.355 . . 1 . . . A 118 ALA HB2 . 30136 1 612 . 1 1 118 118 ALA HB3 H 1 1.355 . . 1 . . . A 118 ALA HB3 . 30136 1 613 . 1 1 118 118 ALA CA C 13 49.834 . . 1 . . . A 118 ALA CA . 30136 1 614 . 1 1 118 118 ALA CB C 13 18.278 . . 1 . . . A 118 ALA CB . 30136 1 615 . 1 1 118 118 ALA N N 15 124.729 . . 1 . . . A 118 ALA N . 30136 1 616 . 1 1 119 119 PRO CA C 13 62.821 . . 1 . . . A 119 PRO CA . 30136 1 617 . 1 1 120 120 GLY H H 1 8.471 . . 1 . . . A 120 GLY H . 30136 1 618 . 1 1 120 120 GLY CA C 13 44.589 . . 1 . . . A 120 GLY CA . 30136 1 619 . 1 1 120 120 GLY N N 15 109.358 . . 1 . . . A 120 GLY N . 30136 1 620 . 1 1 121 121 ALA H H 1 8.109 . . 1 . . . A 121 ALA H . 30136 1 621 . 1 1 121 121 ALA HB1 H 1 1.428 . . 1 . . . A 121 ALA HB1 . 30136 1 622 . 1 1 121 121 ALA HB2 H 1 1.428 . . 1 . . . A 121 ALA HB2 . 30136 1 623 . 1 1 121 121 ALA HB3 H 1 1.428 . . 1 . . . A 121 ALA HB3 . 30136 1 624 . 1 1 121 121 ALA CA C 13 51.928 . . 1 . . . A 121 ALA CA . 30136 1 625 . 1 1 121 121 ALA CB C 13 19.498 . . 1 . . . A 121 ALA CB . 30136 1 626 . 1 1 121 121 ALA N N 15 123.972 . . 1 . . . A 121 ALA N . 30136 1 627 . 1 1 122 122 SER H H 1 7.940 . . 1 . . . A 122 SER H . 30136 1 628 . 1 1 122 122 SER CA C 13 59.393 . . 1 . . . A 122 SER CA . 30136 1 629 . 1 1 122 122 SER N N 15 120.531 . . 1 . . . A 122 SER N . 30136 1 stop_ save_