data_31069 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31069 _Entry.Title ; FliT-FliJ fusion complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-01-13 _Entry.Accession_date 2023-01-13 _Entry.Last_release_date 2023-02-13 _Entry.Original_release_date 2023-02-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 P. Rossi P. . . . 31069 2 C. Kalodimos C. G. . . 31069 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CHAPERONE . 31069 'Chaperone-client complex' . 31069 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 31069 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 562 31069 '15N chemical shifts' 154 31069 '1H chemical shifts' 454 31069 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2023-06-27 . original BMRB . 31069 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8FTW 'BMRB Entry Tracking System' 31069 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31069 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37330284 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Chaperone Recycling in Late-Stage Flagellar Assembly ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _Citation.Journal_CSD 0353 _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 167954 _Citation.Page_last 167954 _Citation.Year 2023 _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 P. Rossi P. . . . 31069 1 2 Q. Xing Q. . . . 31069 1 3 E. Bini E. . . . 31069 1 4 A. Portaliou A. . . . 31069 1 5 M. Clay M. C. . . 31069 1 6 E. Warren E. M. . . 31069 1 7 N. Khanra N. K. . . 31069 1 8 A. Economou A. . . . 31069 1 9 C. Kalodimos C. G. . . 31069 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31069 _Assembly.ID 1 _Assembly.Name 'Flagellar FliT protein, Flagellar FliJ protein fusion' _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 unit_1 1 $entity_1 A A yes . . . . . . 31069 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31069 _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 LLQQRLDELSSLIGQVLFQG PSAGLVPRGSGGIEGSNLNT DMGNGIASNRWINYQQFIQT LEKAIEQHRLQLTQWTQKVD LALKSW ; _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 166 _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 18827.361 _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 . 31069 1 2 . THR . 31069 1 3 . SER . 31069 1 4 . THR . 31069 1 5 . VAL . 31069 1 6 . GLU . 31069 1 7 . PHE . 31069 1 8 . ILE . 31069 1 9 . ASN . 31069 1 10 . ARG . 31069 1 11 . TRP . 31069 1 12 . GLN . 31069 1 13 . ARG . 31069 1 14 . ILE . 31069 1 15 . ALA . 31069 1 16 . LEU . 31069 1 17 . LEU . 31069 1 18 . SER . 31069 1 19 . GLN . 31069 1 20 . SER . 31069 1 21 . LEU . 31069 1 22 . LEU . 31069 1 23 . GLU . 31069 1 24 . LEU . 31069 1 25 . ALA . 31069 1 26 . GLN . 31069 1 27 . ARG . 31069 1 28 . GLY . 31069 1 29 . GLU . 31069 1 30 . TRP . 31069 1 31 . ASP . 31069 1 32 . LEU . 31069 1 33 . LEU . 31069 1 34 . LEU . 31069 1 35 . GLN . 31069 1 36 . GLN . 31069 1 37 . GLU . 31069 1 38 . VAL . 31069 1 39 . SER . 31069 1 40 . TYR . 31069 1 41 . LEU . 31069 1 42 . GLN . 31069 1 43 . SER . 31069 1 44 . ILE . 31069 1 45 . GLU . 31069 1 46 . THR . 31069 1 47 . VAL . 31069 1 48 . MET . 31069 1 49 . GLU . 31069 1 50 . LYS . 31069 1 51 . GLN . 31069 1 52 . THR . 31069 1 53 . PRO . 31069 1 54 . PRO . 31069 1 55 . GLY . 31069 1 56 . ILE . 31069 1 57 . THR . 31069 1 58 . ARG . 31069 1 59 . SER . 31069 1 60 . ILE . 31069 1 61 . GLN . 31069 1 62 . ASP . 31069 1 63 . MET . 31069 1 64 . VAL . 31069 1 65 . ALA . 31069 1 66 . GLY . 31069 1 67 . TYR . 31069 1 68 . ILE . 31069 1 69 . LYS . 31069 1 70 . GLN . 31069 1 71 . THR . 31069 1 72 . LEU . 31069 1 73 . ASP . 31069 1 74 . ASN . 31069 1 75 . GLU . 31069 1 76 . GLN . 31069 1 77 . LEU . 31069 1 78 . LEU . 31069 1 79 . LYS . 31069 1 80 . GLY . 31069 1 81 . LEU . 31069 1 82 . LEU . 31069 1 83 . GLN . 31069 1 84 . GLN . 31069 1 85 . ARG . 31069 1 86 . LEU . 31069 1 87 . ASP . 31069 1 88 . GLU . 31069 1 89 . LEU . 31069 1 90 . SER . 31069 1 91 . SER . 31069 1 92 . LEU . 31069 1 93 . ILE . 31069 1 94 . GLY . 31069 1 95 . GLN . 31069 1 96 . VAL . 31069 1 97 . LEU . 31069 1 98 . PHE . 31069 1 99 . GLN . 31069 1 100 . GLY . 31069 1 101 . PRO . 31069 1 102 . SER . 31069 1 103 . ALA . 31069 1 104 . GLY . 31069 1 105 . LEU . 31069 1 106 . VAL . 31069 1 107 . PRO . 31069 1 108 . ARG . 31069 1 109 . GLY . 31069 1 110 . SER . 31069 1 111 . GLY . 31069 1 112 . GLY . 31069 1 113 . ILE . 31069 1 114 . GLU . 31069 1 115 . GLY . 31069 1 116 . SER . 31069 1 117 . ASN . 31069 1 118 . LEU . 31069 1 119 . ASN . 31069 1 120 . THR . 31069 1 121 . ASP . 31069 1 122 . MET . 31069 1 123 . GLY . 31069 1 124 . ASN . 31069 1 125 . GLY . 31069 1 126 . ILE . 31069 1 127 . ALA . 31069 1 128 . SER . 31069 1 129 . ASN . 31069 1 130 . ARG . 31069 1 131 . TRP . 31069 1 132 . ILE . 31069 1 133 . ASN . 31069 1 134 . TYR . 31069 1 135 . GLN . 31069 1 136 . GLN . 31069 1 137 . PHE . 31069 1 138 . ILE . 31069 1 139 . GLN . 31069 1 140 . THR . 31069 1 141 . LEU . 31069 1 142 . GLU . 31069 1 143 . LYS . 31069 1 144 . ALA . 31069 1 145 . ILE . 31069 1 146 . GLU . 31069 1 147 . GLN . 31069 1 148 . HIS . 31069 1 149 . ARG . 31069 1 150 . LEU . 31069 1 151 . GLN . 31069 1 152 . LEU . 31069 1 153 . THR . 31069 1 154 . GLN . 31069 1 155 . TRP . 31069 1 156 . THR . 31069 1 157 . GLN . 31069 1 158 . LYS . 31069 1 159 . VAL . 31069 1 160 . ASP . 31069 1 161 . LEU . 31069 1 162 . ALA . 31069 1 163 . LEU . 31069 1 164 . LYS . 31069 1 165 . SER . 31069 1 166 . TRP . 31069 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 31069 1 . THR 2 2 31069 1 . SER 3 3 31069 1 . THR 4 4 31069 1 . VAL 5 5 31069 1 . GLU 6 6 31069 1 . PHE 7 7 31069 1 . ILE 8 8 31069 1 . ASN 9 9 31069 1 . ARG 10 10 31069 1 . TRP 11 11 31069 1 . GLN 12 12 31069 1 . ARG 13 13 31069 1 . ILE 14 14 31069 1 . ALA 15 15 31069 1 . LEU 16 16 31069 1 . LEU 17 17 31069 1 . SER 18 18 31069 1 . GLN 19 19 31069 1 . SER 20 20 31069 1 . LEU 21 21 31069 1 . LEU 22 22 31069 1 . GLU 23 23 31069 1 . LEU 24 24 31069 1 . ALA 25 25 31069 1 . GLN 26 26 31069 1 . ARG 27 27 31069 1 . GLY 28 28 31069 1 . GLU 29 29 31069 1 . TRP 30 30 31069 1 . ASP 31 31 31069 1 . LEU 32 32 31069 1 . LEU 33 33 31069 1 . LEU 34 34 31069 1 . GLN 35 35 31069 1 . GLN 36 36 31069 1 . GLU 37 37 31069 1 . VAL 38 38 31069 1 . SER 39 39 31069 1 . TYR 40 40 31069 1 . LEU 41 41 31069 1 . GLN 42 42 31069 1 . SER 43 43 31069 1 . ILE 44 44 31069 1 . GLU 45 45 31069 1 . THR 46 46 31069 1 . VAL 47 47 31069 1 . MET 48 48 31069 1 . GLU 49 49 31069 1 . LYS 50 50 31069 1 . GLN 51 51 31069 1 . THR 52 52 31069 1 . PRO 53 53 31069 1 . PRO 54 54 31069 1 . GLY 55 55 31069 1 . ILE 56 56 31069 1 . THR 57 57 31069 1 . ARG 58 58 31069 1 . SER 59 59 31069 1 . ILE 60 60 31069 1 . GLN 61 61 31069 1 . ASP 62 62 31069 1 . MET 63 63 31069 1 . VAL 64 64 31069 1 . ALA 65 65 31069 1 . GLY 66 66 31069 1 . TYR 67 67 31069 1 . ILE 68 68 31069 1 . LYS 69 69 31069 1 . GLN 70 70 31069 1 . THR 71 71 31069 1 . LEU 72 72 31069 1 . ASP 73 73 31069 1 . ASN 74 74 31069 1 . GLU 75 75 31069 1 . GLN 76 76 31069 1 . LEU 77 77 31069 1 . LEU 78 78 31069 1 . LYS 79 79 31069 1 . GLY 80 80 31069 1 . LEU 81 81 31069 1 . LEU 82 82 31069 1 . GLN 83 83 31069 1 . GLN 84 84 31069 1 . ARG 85 85 31069 1 . LEU 86 86 31069 1 . ASP 87 87 31069 1 . GLU 88 88 31069 1 . LEU 89 89 31069 1 . SER 90 90 31069 1 . SER 91 91 31069 1 . LEU 92 92 31069 1 . ILE 93 93 31069 1 . GLY 94 94 31069 1 . GLN 95 95 31069 1 . VAL 96 96 31069 1 . LEU 97 97 31069 1 . PHE 98 98 31069 1 . GLN 99 99 31069 1 . GLY 100 100 31069 1 . PRO 101 101 31069 1 . SER 102 102 31069 1 . ALA 103 103 31069 1 . GLY 104 104 31069 1 . LEU 105 105 31069 1 . VAL 106 106 31069 1 . PRO 107 107 31069 1 . ARG 108 108 31069 1 . GLY 109 109 31069 1 . SER 110 110 31069 1 . GLY 111 111 31069 1 . GLY 112 112 31069 1 . ILE 113 113 31069 1 . GLU 114 114 31069 1 . GLY 115 115 31069 1 . SER 116 116 31069 1 . ASN 117 117 31069 1 . LEU 118 118 31069 1 . ASN 119 119 31069 1 . THR 120 120 31069 1 . ASP 121 121 31069 1 . MET 122 122 31069 1 . GLY 123 123 31069 1 . ASN 124 124 31069 1 . GLY 125 125 31069 1 . ILE 126 126 31069 1 . ALA 127 127 31069 1 . SER 128 128 31069 1 . ASN 129 129 31069 1 . ARG 130 130 31069 1 . TRP 131 131 31069 1 . ILE 132 132 31069 1 . ASN 133 133 31069 1 . TYR 134 134 31069 1 . GLN 135 135 31069 1 . GLN 136 136 31069 1 . PHE 137 137 31069 1 . ILE 138 138 31069 1 . GLN 139 139 31069 1 . THR 140 140 31069 1 . LEU 141 141 31069 1 . GLU 142 142 31069 1 . LYS 143 143 31069 1 . ALA 144 144 31069 1 . ILE 145 145 31069 1 . GLU 146 146 31069 1 . GLN 147 147 31069 1 . HIS 148 148 31069 1 . ARG 149 149 31069 1 . LEU 150 150 31069 1 . GLN 151 151 31069 1 . LEU 152 152 31069 1 . THR 153 153 31069 1 . GLN 154 154 31069 1 . TRP 155 155 31069 1 . THR 156 156 31069 1 . GLN 157 157 31069 1 . LYS 158 158 31069 1 . VAL 159 159 31069 1 . ASP 160 160 31069 1 . LEU 161 161 31069 1 . ALA 162 162 31069 1 . LEU 163 163 31069 1 . LYS 164 164 31069 1 . SER 165 165 31069 1 . TRP 166 166 31069 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 31069 _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 . 90371 . . 'Salmonella enterica subsp. enterica serovar Typhimurium' 'Salmonella enterica subsp. enterica serovar Typhimurium' . . Bacteria . Salmonella enterica . . . . . . . . . . . 'fliT, fliJ' . 31069 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 31069 _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' . . 562 Escherichia coli . . . . . . . . . . 31069 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31069 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 400 uM [U-13C; U-15N; U-2H] FliT_1-95-FliJ_51-101_fusion, 20 mM potassium phosphate, 100 mM potassium chloride, 0.05 % sodium azide, 5 mM beta-mercaptoethanol, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FliT_1-95-FliJ_51-101_fusion '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 400 . . uM . . . . 31069 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 31069 1 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 31069 1 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 31069 1 5 beta-mercaptoethanol 'natural abundance' . . . . . . 5 . . mM . . . . 31069 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 31069 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 400 uM [U-100% 15N], 100% 13C-CH3_ILVMAT, 100%-1H,13C-Phe,Tyr FliT_1-95-FliJ_51-101_fusion, 20 mM potassium phosphate, 100 mM potassium chloride, 0.05 % sodium azide, 5 mM beta-mercaptoethanol, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FliT_1-95-FliJ_51-101_fusion '[U-100% 15N], 100% 13C-CH3_ILVMAT, 100%-1H,13C-Phe,Tyr' . . 1 $entity_1 . . 400 . . uM . . . . 31069 2 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 31069 2 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 31069 2 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 31069 2 5 beta-mercaptoethanol 'natural abundance' . . . . . . 5 . . mM . . . . 31069 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 31069 _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' 200 . mM 31069 1 pH 7.0 . pH 31069 1 pressure 1 . atm 31069 1 temperature 298 . K 31069 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31069 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 31069 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 31069 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31069 _Software.ID 2 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 31069 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 31069 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 31069 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 31069 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 31069 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 31069 _Software.ID 4 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 31069 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'geometry optimization' . 31069 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 31069 _Software.ID 5 _Software.Type . _Software.Name PdbStat _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'tejero & montelione' . . 31069 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 31069 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 31069 _Software.ID 6 _Software.Type . _Software.Name CYANA _Software.Version 3.98 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 31069 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 31069 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 31069 _Software.ID 7 _Software.Type . _Software.Name PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 31069 7 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 31069 7 stop_ save_ save_software_8 _Software.Sf_category software _Software.Sf_framecode software_8 _Software.Entry_ID 31069 _Software.ID 8 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 31069 8 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 31069 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 31069 _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 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 31069 _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 850 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 31069 _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 NMR_spectrometer_1 Bruker AVANCE . 700 . . . 31069 1 2 NMR_spectrometer_2 Bruker AVANCE . 850 . . . 31069 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 31069 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31069 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31069 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31069 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31069 1 5 '3D HN(COCA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31069 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31069 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31069 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31069 1 9 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31069 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31069 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 31069 _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 0.000 internal indirect 0.251449530 . . . . . 31069 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 31069 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 31069 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 31069 _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 $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' . . . 31069 1 2 '2D 1H-13C HSQC' . . . 31069 1 3 '3D HNCACB' . . . 31069 1 4 '3D HNCO' . . . 31069 1 5 '3D HN(COCA)CB' . . . 31069 1 6 '3D 1H-15N NOESY' . . . 31069 1 7 '2D 1H-15N HSQC' . . . 31069 1 8 '3D 1H-15N NOESY' . . . 31069 1 9 '3D 1H-13C NOESY aromatic' . . . 31069 1 10 '3D 1H-13C NOESY' . . . 31069 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET HE1 H 1 2.085 0.00 . . . . . . A 1 MET HE1 . 31069 1 2 . 1 . 1 1 1 MET HE2 H 1 2.085 0.00 . . . . . . A 1 MET HE2 . 31069 1 3 . 1 . 1 1 1 MET HE3 H 1 2.085 0.00 . . . . . . A 1 MET HE3 . 31069 1 4 . 1 . 1 1 1 MET CE C 13 17.096 0.00 . . . . . . A 1 MET CE . 31069 1 5 . 1 . 1 2 2 THR HG21 H 1 1.273 0.00 . . . . . . A 2 THR HG21 . 31069 1 6 . 1 . 1 2 2 THR HG22 H 1 1.273 0.00 . . . . . . A 2 THR HG22 . 31069 1 7 . 1 . 1 2 2 THR HG23 H 1 1.273 0.00 . . . . . . A 2 THR HG23 . 31069 1 8 . 1 . 1 2 2 THR CG2 C 13 21.633 0.00 . . . . . . A 2 THR CG2 . 31069 1 9 . 1 . 1 4 4 THR HG21 H 1 1.363 0.00 . . . . . . A 4 THR HG21 . 31069 1 10 . 1 . 1 4 4 THR HG22 H 1 1.363 0.00 . . . . . . A 4 THR HG22 . 31069 1 11 . 1 . 1 4 4 THR HG23 H 1 1.363 0.00 . . . . . . A 4 THR HG23 . 31069 1 12 . 1 . 1 4 4 THR CA C 13 66.599 0.00 . . . . . . A 4 THR CA . 31069 1 13 . 1 . 1 4 4 THR CB C 13 68.679 0.00 . . . . . . A 4 THR CB . 31069 1 14 . 1 . 1 4 4 THR CG2 C 13 22.834 0.00 . . . . . . A 4 THR CG2 . 31069 1 15 . 1 . 1 5 5 VAL H H 1 7.879 0.00 . . . . . . A 5 VAL H . 31069 1 16 . 1 . 1 5 5 VAL HG11 H 1 0.993 0.00 . . . . . . A 5 VAL HG11 . 31069 1 17 . 1 . 1 5 5 VAL HG12 H 1 0.993 0.00 . . . . . . A 5 VAL HG12 . 31069 1 18 . 1 . 1 5 5 VAL HG13 H 1 0.993 0.00 . . . . . . A 5 VAL HG13 . 31069 1 19 . 1 . 1 5 5 VAL HG21 H 1 1.077 0.00 . . . . . . A 5 VAL HG21 . 31069 1 20 . 1 . 1 5 5 VAL HG22 H 1 1.077 0.00 . . . . . . A 5 VAL HG22 . 31069 1 21 . 1 . 1 5 5 VAL HG23 H 1 1.077 0.00 . . . . . . A 5 VAL HG23 . 31069 1 22 . 1 . 1 5 5 VAL C C 13 177.734 0.00 . . . . . . A 5 VAL C . 31069 1 23 . 1 . 1 5 5 VAL CA C 13 66.410 0.02 . . . . . . A 5 VAL CA . 31069 1 24 . 1 . 1 5 5 VAL CB C 13 31.732 0.04 . . . . . . A 5 VAL CB . 31069 1 25 . 1 . 1 5 5 VAL CG1 C 13 20.977 0.00 . . . . . . A 5 VAL CG1 . 31069 1 26 . 1 . 1 5 5 VAL CG2 C 13 22.292 0.00 . . . . . . A 5 VAL CG2 . 31069 1 27 . 1 . 1 5 5 VAL N N 15 119.978 0.00 . . . . . . A 5 VAL N . 31069 1 28 . 1 . 1 6 6 GLU H H 1 7.954 0.00 . . . . . . A 6 GLU H . 31069 1 29 . 1 . 1 6 6 GLU C C 13 178.444 0.01 . . . . . . A 6 GLU C . 31069 1 30 . 1 . 1 6 6 GLU CA C 13 59.454 0.03 . . . . . . A 6 GLU CA . 31069 1 31 . 1 . 1 6 6 GLU CB C 13 29.383 0.05 . . . . . . A 6 GLU CB . 31069 1 32 . 1 . 1 6 6 GLU N N 15 120.355 0.00 . . . . . . A 6 GLU N . 31069 1 33 . 1 . 1 7 7 PHE H H 1 8.035 0.00 . . . . . . A 7 PHE H . 31069 1 34 . 1 . 1 7 7 PHE HD1 H 1 7.338 0.00 . . . . . . A 7 PHE HD1 . 31069 1 35 . 1 . 1 7 7 PHE HD2 H 1 7.338 0.00 . . . . . . A 7 PHE HD2 . 31069 1 36 . 1 . 1 7 7 PHE HE1 H 1 7.456 0.00 . . . . . . A 7 PHE HE1 . 31069 1 37 . 1 . 1 7 7 PHE HE2 H 1 7.456 0.00 . . . . . . A 7 PHE HE2 . 31069 1 38 . 1 . 1 7 7 PHE HZ H 1 7.574 0.00 . . . . . . A 7 PHE HZ . 31069 1 39 . 1 . 1 7 7 PHE C C 13 177.172 0.00 . . . . . . A 7 PHE C . 31069 1 40 . 1 . 1 7 7 PHE CA C 13 62.312 0.00 . . . . . . A 7 PHE CA . 31069 1 41 . 1 . 1 7 7 PHE CB C 13 39.908 0.03 . . . . . . A 7 PHE CB . 31069 1 42 . 1 . 1 7 7 PHE CD1 C 13 131.695 0.00 . . . . . . A 7 PHE CD1 . 31069 1 43 . 1 . 1 7 7 PHE CD2 C 13 131.695 0.00 . . . . . . A 7 PHE CD2 . 31069 1 44 . 1 . 1 7 7 PHE CE1 C 13 132.276 0.00 . . . . . . A 7 PHE CE1 . 31069 1 45 . 1 . 1 7 7 PHE CE2 C 13 132.277 0.00 . . . . . . A 7 PHE CE2 . 31069 1 46 . 1 . 1 7 7 PHE CZ C 13 130.279 0.00 . . . . . . A 7 PHE CZ . 31069 1 47 . 1 . 1 7 7 PHE N N 15 119.779 0.00 . . . . . . A 7 PHE N . 31069 1 48 . 1 . 1 8 8 ILE H H 1 8.136 0.00 . . . . . . A 8 ILE H . 31069 1 49 . 1 . 1 8 8 ILE HD11 H 1 1.021 0.00 . . . . . . A 8 ILE HD11 . 31069 1 50 . 1 . 1 8 8 ILE HD12 H 1 1.021 0.00 . . . . . . A 8 ILE HD12 . 31069 1 51 . 1 . 1 8 8 ILE HD13 H 1 1.021 0.00 . . . . . . A 8 ILE HD13 . 31069 1 52 . 1 . 1 8 8 ILE C C 13 177.757 0.02 . . . . . . A 8 ILE C . 31069 1 53 . 1 . 1 8 8 ILE CA C 13 66.165 0.00 . . . . . . A 8 ILE CA . 31069 1 54 . 1 . 1 8 8 ILE CB C 13 38.165 0.00 . . . . . . A 8 ILE CB . 31069 1 55 . 1 . 1 8 8 ILE CD1 C 13 14.433 0.00 . . . . . . A 8 ILE CD1 . 31069 1 56 . 1 . 1 8 8 ILE N N 15 117.692 0.00 . . . . . . A 8 ILE N . 31069 1 57 . 1 . 1 9 9 ASN H H 1 8.250 0.00 . . . . . . A 9 ASN H . 31069 1 58 . 1 . 1 9 9 ASN C C 13 178.208 0.02 . . . . . . A 9 ASN C . 31069 1 59 . 1 . 1 9 9 ASN CA C 13 56.528 0.00 . . . . . . A 9 ASN CA . 31069 1 60 . 1 . 1 9 9 ASN CB C 13 38.195 0.00 . . . . . . A 9 ASN CB . 31069 1 61 . 1 . 1 9 9 ASN N N 15 117.164 0.00 . . . . . . A 9 ASN N . 31069 1 62 . 1 . 1 10 10 ARG H H 1 8.249 0.00 . . . . . . A 10 ARG H . 31069 1 63 . 1 . 1 10 10 ARG C C 13 179.300 0.03 . . . . . . A 10 ARG C . 31069 1 64 . 1 . 1 10 10 ARG CA C 13 60.017 0.04 . . . . . . A 10 ARG CA . 31069 1 65 . 1 . 1 10 10 ARG CB C 13 29.822 0.00 . . . . . . A 10 ARG CB . 31069 1 66 . 1 . 1 10 10 ARG N N 15 119.402 0.00 . . . . . . A 10 ARG N . 31069 1 67 . 1 . 1 11 11 TRP H H 1 7.375 0.00 . . . . . . A 11 TRP H . 31069 1 68 . 1 . 1 11 11 TRP HE1 H 1 9.310 0.00 . . . . . . A 11 TRP HE1 . 31069 1 69 . 1 . 1 11 11 TRP C C 13 177.991 0.02 . . . . . . A 11 TRP C . 31069 1 70 . 1 . 1 11 11 TRP CA C 13 61.115 0.03 . . . . . . A 11 TRP CA . 31069 1 71 . 1 . 1 11 11 TRP CB C 13 29.150 0.08 . . . . . . A 11 TRP CB . 31069 1 72 . 1 . 1 11 11 TRP N N 15 119.584 0.00 . . . . . . A 11 TRP N . 31069 1 73 . 1 . 1 11 11 TRP NE1 N 15 125.551 0.00 . . . . . . A 11 TRP NE1 . 31069 1 74 . 1 . 1 12 12 GLN H H 1 8.347 0.00 . . . . . . A 12 GLN H . 31069 1 75 . 1 . 1 12 12 GLN C C 13 178.263 0.06 . . . . . . A 12 GLN C . 31069 1 76 . 1 . 1 12 12 GLN CA C 13 59.361 0.01 . . . . . . A 12 GLN CA . 31069 1 77 . 1 . 1 12 12 GLN CB C 13 28.331 0.06 . . . . . . A 12 GLN CB . 31069 1 78 . 1 . 1 12 12 GLN N N 15 120.516 0.00 . . . . . . A 12 GLN N . 31069 1 79 . 1 . 1 13 13 ARG H H 1 7.832 0.00 . . . . . . A 13 ARG H . 31069 1 80 . 1 . 1 13 13 ARG C C 13 179.329 0.02 . . . . . . A 13 ARG C . 31069 1 81 . 1 . 1 13 13 ARG CA C 13 59.773 0.02 . . . . . . A 13 ARG CA . 31069 1 82 . 1 . 1 13 13 ARG CB C 13 29.505 0.03 . . . . . . A 13 ARG CB . 31069 1 83 . 1 . 1 13 13 ARG N N 15 116.831 0.00 . . . . . . A 13 ARG N . 31069 1 84 . 1 . 1 14 14 ILE H H 1 7.635 0.00 . . . . . . A 14 ILE H . 31069 1 85 . 1 . 1 14 14 ILE HD11 H 1 0.184 0.00 . . . . . . A 14 ILE HD11 . 31069 1 86 . 1 . 1 14 14 ILE HD12 H 1 0.184 0.00 . . . . . . A 14 ILE HD12 . 31069 1 87 . 1 . 1 14 14 ILE HD13 H 1 0.184 0.00 . . . . . . A 14 ILE HD13 . 31069 1 88 . 1 . 1 14 14 ILE C C 13 177.385 0.04 . . . . . . A 14 ILE C . 31069 1 89 . 1 . 1 14 14 ILE CA C 13 65.203 0.00 . . . . . . A 14 ILE CA . 31069 1 90 . 1 . 1 14 14 ILE CB C 13 37.409 0.12 . . . . . . A 14 ILE CB . 31069 1 91 . 1 . 1 14 14 ILE CD1 C 13 13.358 0.00 . . . . . . A 14 ILE CD1 . 31069 1 92 . 1 . 1 14 14 ILE N N 15 120.880 0.00 . . . . . . A 14 ILE N . 31069 1 93 . 1 . 1 15 15 ALA H H 1 8.198 0.00 . . . . . . A 15 ALA H . 31069 1 94 . 1 . 1 15 15 ALA HB1 H 1 1.563 0.00 . . . . . . A 15 ALA HB1 . 31069 1 95 . 1 . 1 15 15 ALA HB2 H 1 1.563 0.00 . . . . . . A 15 ALA HB2 . 31069 1 96 . 1 . 1 15 15 ALA HB3 H 1 1.563 0.00 . . . . . . A 15 ALA HB3 . 31069 1 97 . 1 . 1 15 15 ALA C C 13 181.850 0.03 . . . . . . A 15 ALA C . 31069 1 98 . 1 . 1 15 15 ALA CA C 13 56.400 0.01 . . . . . . A 15 ALA CA . 31069 1 99 . 1 . 1 15 15 ALA CB C 13 17.356 0.06 . . . . . . A 15 ALA CB . 31069 1 100 . 1 . 1 15 15 ALA N N 15 126.924 0.00 . . . . . . A 15 ALA N . 31069 1 101 . 1 . 1 16 16 LEU H H 1 8.030 0.00 . . . . . . A 16 LEU H . 31069 1 102 . 1 . 1 16 16 LEU HD11 H 1 0.857 0.00 . . . . . . A 16 LEU HD11 . 31069 1 103 . 1 . 1 16 16 LEU HD12 H 1 0.857 0.00 . . . . . . A 16 LEU HD12 . 31069 1 104 . 1 . 1 16 16 LEU HD13 H 1 0.857 0.00 . . . . . . A 16 LEU HD13 . 31069 1 105 . 1 . 1 16 16 LEU HD21 H 1 0.873 0.00 . . . . . . A 16 LEU HD21 . 31069 1 106 . 1 . 1 16 16 LEU HD22 H 1 0.873 0.00 . . . . . . A 16 LEU HD22 . 31069 1 107 . 1 . 1 16 16 LEU HD23 H 1 0.873 0.00 . . . . . . A 16 LEU HD23 . 31069 1 108 . 1 . 1 16 16 LEU C C 13 179.960 0.06 . . . . . . A 16 LEU C . 31069 1 109 . 1 . 1 16 16 LEU CA C 13 58.134 0.00 . . . . . . A 16 LEU CA . 31069 1 110 . 1 . 1 16 16 LEU CB C 13 41.316 0.02 . . . . . . A 16 LEU CB . 31069 1 111 . 1 . 1 16 16 LEU CD1 C 13 24.769 0.00 . . . . . . A 16 LEU CD1 . 31069 1 112 . 1 . 1 16 16 LEU CD2 C 13 23.154 0.00 . . . . . . A 16 LEU CD2 . 31069 1 113 . 1 . 1 16 16 LEU N N 15 119.180 0.00 . . . . . . A 16 LEU N . 31069 1 114 . 1 . 1 17 17 LEU H H 1 8.687 0.01 . . . . . . A 17 LEU H . 31069 1 115 . 1 . 1 17 17 LEU HD11 H 1 1.022 0.00 . . . . . . A 17 LEU HD11 . 31069 1 116 . 1 . 1 17 17 LEU HD12 H 1 1.022 0.00 . . . . . . A 17 LEU HD12 . 31069 1 117 . 1 . 1 17 17 LEU HD13 H 1 1.022 0.00 . . . . . . A 17 LEU HD13 . 31069 1 118 . 1 . 1 17 17 LEU HD21 H 1 1.012 0.00 . . . . . . A 17 LEU HD21 . 31069 1 119 . 1 . 1 17 17 LEU HD22 H 1 1.012 0.00 . . . . . . A 17 LEU HD22 . 31069 1 120 . 1 . 1 17 17 LEU HD23 H 1 1.012 0.00 . . . . . . A 17 LEU HD23 . 31069 1 121 . 1 . 1 17 17 LEU C C 13 179.865 0.02 . . . . . . A 17 LEU C . 31069 1 122 . 1 . 1 17 17 LEU CA C 13 58.313 0.02 . . . . . . A 17 LEU CA . 31069 1 123 . 1 . 1 17 17 LEU CB C 13 41.599 0.03 . . . . . . A 17 LEU CB . 31069 1 124 . 1 . 1 17 17 LEU CD1 C 13 25.894 0.00 . . . . . . A 17 LEU CD1 . 31069 1 125 . 1 . 1 17 17 LEU CD2 C 13 23.065 0.00 . . . . . . A 17 LEU CD2 . 31069 1 126 . 1 . 1 17 17 LEU N N 15 123.422 0.02 . . . . . . A 17 LEU N . 31069 1 127 . 1 . 1 18 18 SER H H 1 9.297 0.00 . . . . . . A 18 SER H . 31069 1 128 . 1 . 1 18 18 SER C C 13 175.959 0.01 . . . . . . A 18 SER C . 31069 1 129 . 1 . 1 18 18 SER CA C 13 63.556 0.00 . . . . . . A 18 SER CA . 31069 1 130 . 1 . 1 18 18 SER CB C 13 62.377 0.02 . . . . . . A 18 SER CB . 31069 1 131 . 1 . 1 18 18 SER N N 15 115.712 0.00 . . . . . . A 18 SER N . 31069 1 132 . 1 . 1 19 19 GLN H H 1 7.544 0.00 . . . . . . A 19 GLN H . 31069 1 133 . 1 . 1 19 19 GLN C C 13 177.619 0.05 . . . . . . A 19 GLN C . 31069 1 134 . 1 . 1 19 19 GLN CA C 13 59.351 0.00 . . . . . . A 19 GLN CA . 31069 1 135 . 1 . 1 19 19 GLN CB C 13 28.418 0.01 . . . . . . A 19 GLN CB . 31069 1 136 . 1 . 1 19 19 GLN N N 15 124.321 0.00 . . . . . . A 19 GLN N . 31069 1 137 . 1 . 1 20 20 SER H H 1 8.269 0.00 . . . . . . A 20 SER H . 31069 1 138 . 1 . 1 20 20 SER C C 13 177.184 0.00 . . . . . . A 20 SER C . 31069 1 139 . 1 . 1 20 20 SER CA C 13 61.753 0.02 . . . . . . A 20 SER CA . 31069 1 140 . 1 . 1 20 20 SER CB C 13 62.944 0.01 . . . . . . A 20 SER CB . 31069 1 141 . 1 . 1 20 20 SER N N 15 116.563 0.00 . . . . . . A 20 SER N . 31069 1 142 . 1 . 1 21 21 LEU H H 1 8.312 0.00 . . . . . . A 21 LEU H . 31069 1 143 . 1 . 1 21 21 LEU HD11 H 1 0.592 0.00 . . . . . . A 21 LEU HD11 . 31069 1 144 . 1 . 1 21 21 LEU HD12 H 1 0.592 0.00 . . . . . . A 21 LEU HD12 . 31069 1 145 . 1 . 1 21 21 LEU HD13 H 1 0.592 0.00 . . . . . . A 21 LEU HD13 . 31069 1 146 . 1 . 1 21 21 LEU HD21 H 1 0.752 0.00 . . . . . . A 21 LEU HD21 . 31069 1 147 . 1 . 1 21 21 LEU HD22 H 1 0.752 0.00 . . . . . . A 21 LEU HD22 . 31069 1 148 . 1 . 1 21 21 LEU HD23 H 1 0.752 0.00 . . . . . . A 21 LEU HD23 . 31069 1 149 . 1 . 1 21 21 LEU C C 13 178.178 0.04 . . . . . . A 21 LEU C . 31069 1 150 . 1 . 1 21 21 LEU CA C 13 58.300 0.08 . . . . . . A 21 LEU CA . 31069 1 151 . 1 . 1 21 21 LEU CB C 13 40.773 0.15 . . . . . . A 21 LEU CB . 31069 1 152 . 1 . 1 21 21 LEU CD1 C 13 25.504 0.00 . . . . . . A 21 LEU CD1 . 31069 1 153 . 1 . 1 21 21 LEU CD2 C 13 22.722 0.00 . . . . . . A 21 LEU CD2 . 31069 1 154 . 1 . 1 21 21 LEU N N 15 120.798 0.00 . . . . . . A 21 LEU N . 31069 1 155 . 1 . 1 22 22 LEU H H 1 7.691 0.00 . . . . . . A 22 LEU H . 31069 1 156 . 1 . 1 22 22 LEU HD11 H 1 0.794 0.00 . . . . . . A 22 LEU HD11 . 31069 1 157 . 1 . 1 22 22 LEU HD12 H 1 0.794 0.00 . . . . . . A 22 LEU HD12 . 31069 1 158 . 1 . 1 22 22 LEU HD13 H 1 0.794 0.00 . . . . . . A 22 LEU HD13 . 31069 1 159 . 1 . 1 22 22 LEU HD21 H 1 0.663 0.00 . . . . . . A 22 LEU HD21 . 31069 1 160 . 1 . 1 22 22 LEU HD22 H 1 0.663 0.00 . . . . . . A 22 LEU HD22 . 31069 1 161 . 1 . 1 22 22 LEU HD23 H 1 0.663 0.00 . . . . . . A 22 LEU HD23 . 31069 1 162 . 1 . 1 22 22 LEU C C 13 178.391 0.05 . . . . . . A 22 LEU C . 31069 1 163 . 1 . 1 22 22 LEU CA C 13 58.425 0.09 . . . . . . A 22 LEU CA . 31069 1 164 . 1 . 1 22 22 LEU CB C 13 41.186 0.05 . . . . . . A 22 LEU CB . 31069 1 165 . 1 . 1 22 22 LEU CD1 C 13 23.918 0.00 . . . . . . A 22 LEU CD1 . 31069 1 166 . 1 . 1 22 22 LEU CD2 C 13 26.346 0.00 . . . . . . A 22 LEU CD2 . 31069 1 167 . 1 . 1 22 22 LEU N N 15 119.326 0.00 . . . . . . A 22 LEU N . 31069 1 168 . 1 . 1 23 23 GLU H H 1 8.125 0.00 . . . . . . A 23 GLU H . 31069 1 169 . 1 . 1 23 23 GLU C C 13 179.271 0.02 . . . . . . A 23 GLU C . 31069 1 170 . 1 . 1 23 23 GLU CA C 13 59.909 0.00 . . . . . . A 23 GLU CA . 31069 1 171 . 1 . 1 23 23 GLU CB C 13 28.880 0.02 . . . . . . A 23 GLU CB . 31069 1 172 . 1 . 1 23 23 GLU N N 15 117.975 0.00 . . . . . . A 23 GLU N . 31069 1 173 . 1 . 1 24 24 LEU H H 1 7.524 0.00 . . . . . . A 24 LEU H . 31069 1 174 . 1 . 1 24 24 LEU HD11 H 1 0.744 0.00 . . . . . . A 24 LEU HD11 . 31069 1 175 . 1 . 1 24 24 LEU HD12 H 1 0.744 0.00 . . . . . . A 24 LEU HD12 . 31069 1 176 . 1 . 1 24 24 LEU HD13 H 1 0.744 0.00 . . . . . . A 24 LEU HD13 . 31069 1 177 . 1 . 1 24 24 LEU HD21 H 1 0.786 0.00 . . . . . . A 24 LEU HD21 . 31069 1 178 . 1 . 1 24 24 LEU HD22 H 1 0.786 0.00 . . . . . . A 24 LEU HD22 . 31069 1 179 . 1 . 1 24 24 LEU HD23 H 1 0.786 0.00 . . . . . . A 24 LEU HD23 . 31069 1 180 . 1 . 1 24 24 LEU C C 13 179.154 0.02 . . . . . . A 24 LEU C . 31069 1 181 . 1 . 1 24 24 LEU CA C 13 58.378 0.03 . . . . . . A 24 LEU CA . 31069 1 182 . 1 . 1 24 24 LEU CB C 13 41.849 0.01 . . . . . . A 24 LEU CB . 31069 1 183 . 1 . 1 24 24 LEU CD1 C 13 25.487 0.00 . . . . . . A 24 LEU CD1 . 31069 1 184 . 1 . 1 24 24 LEU CD2 C 13 22.697 0.00 . . . . . . A 24 LEU CD2 . 31069 1 185 . 1 . 1 24 24 LEU N N 15 117.346 0.00 . . . . . . A 24 LEU N . 31069 1 186 . 1 . 1 25 25 ALA H H 1 7.552 0.00 . . . . . . A 25 ALA H . 31069 1 187 . 1 . 1 25 25 ALA HB1 H 1 1.276 0.00 . . . . . . A 25 ALA HB1 . 31069 1 188 . 1 . 1 25 25 ALA HB2 H 1 1.276 0.00 . . . . . . A 25 ALA HB2 . 31069 1 189 . 1 . 1 25 25 ALA HB3 H 1 1.276 0.00 . . . . . . A 25 ALA HB3 . 31069 1 190 . 1 . 1 25 25 ALA C C 13 180.653 0.01 . . . . . . A 25 ALA C . 31069 1 191 . 1 . 1 25 25 ALA CA C 13 54.716 0.04 . . . . . . A 25 ALA CA . 31069 1 192 . 1 . 1 25 25 ALA CB C 13 19.090 0.08 . . . . . . A 25 ALA CB . 31069 1 193 . 1 . 1 25 25 ALA N N 15 120.420 0.00 . . . . . . A 25 ALA N . 31069 1 194 . 1 . 1 26 26 GLN H H 1 8.568 0.00 . . . . . . A 26 GLN H . 31069 1 195 . 1 . 1 26 26 GLN C C 13 178.093 0.01 . . . . . . A 26 GLN C . 31069 1 196 . 1 . 1 26 26 GLN CA C 13 59.175 0.00 . . . . . . A 26 GLN CA . 31069 1 197 . 1 . 1 26 26 GLN CB C 13 28.139 0.03 . . . . . . A 26 GLN CB . 31069 1 198 . 1 . 1 26 26 GLN N N 15 118.147 0.00 . . . . . . A 26 GLN N . 31069 1 199 . 1 . 1 27 27 ARG H H 1 7.540 0.00 . . . . . . A 27 ARG H . 31069 1 200 . 1 . 1 27 27 ARG C C 13 176.422 0.08 . . . . . . A 27 ARG C . 31069 1 201 . 1 . 1 27 27 ARG CA C 13 56.593 0.06 . . . . . . A 27 ARG CA . 31069 1 202 . 1 . 1 27 27 ARG CB C 13 31.071 0.06 . . . . . . A 27 ARG CB . 31069 1 203 . 1 . 1 27 27 ARG N N 15 115.398 0.00 . . . . . . A 27 ARG N . 31069 1 204 . 1 . 1 28 28 GLY H H 1 7.406 0.00 . . . . . . A 28 GLY H . 31069 1 205 . 1 . 1 28 28 GLY C C 13 175.124 0.02 . . . . . . A 28 GLY C . 31069 1 206 . 1 . 1 28 28 GLY CA C 13 45.905 0.02 . . . . . . A 28 GLY CA . 31069 1 207 . 1 . 1 28 28 GLY N N 15 108.817 0.00 . . . . . . A 28 GLY N . 31069 1 208 . 1 . 1 29 29 GLU H H 1 7.739 0.00 . . . . . . A 29 GLU H . 31069 1 209 . 1 . 1 29 29 GLU C C 13 176.815 0.00 . . . . . . A 29 GLU C . 31069 1 210 . 1 . 1 29 29 GLU CA C 13 54.184 0.01 . . . . . . A 29 GLU CA . 31069 1 211 . 1 . 1 29 29 GLU CB C 13 27.066 0.00 . . . . . . A 29 GLU CB . 31069 1 212 . 1 . 1 29 29 GLU N N 15 122.567 0.00 . . . . . . A 29 GLU N . 31069 1 213 . 1 . 1 30 30 TRP H H 1 7.031 0.00 . . . . . . A 30 TRP H . 31069 1 214 . 1 . 1 30 30 TRP HE1 H 1 10.599 0.00 . . . . . . A 30 TRP HE1 . 31069 1 215 . 1 . 1 30 30 TRP C C 13 177.896 0.04 . . . . . . A 30 TRP C . 31069 1 216 . 1 . 1 30 30 TRP CA C 13 60.157 0.02 . . . . . . A 30 TRP CA . 31069 1 217 . 1 . 1 30 30 TRP CB C 13 30.062 0.01 . . . . . . A 30 TRP CB . 31069 1 218 . 1 . 1 30 30 TRP N N 15 119.196 0.00 . . . . . . A 30 TRP N . 31069 1 219 . 1 . 1 30 30 TRP NE1 N 15 128.974 0.00 . . . . . . A 30 TRP NE1 . 31069 1 220 . 1 . 1 31 31 ASP H H 1 8.387 0.00 . . . . . . A 31 ASP H . 31069 1 221 . 1 . 1 31 31 ASP C C 13 179.086 0.01 . . . . . . A 31 ASP C . 31069 1 222 . 1 . 1 31 31 ASP CA C 13 58.249 0.00 . . . . . . A 31 ASP CA . 31069 1 223 . 1 . 1 31 31 ASP CB C 13 40.202 0.09 . . . . . . A 31 ASP CB . 31069 1 224 . 1 . 1 31 31 ASP N N 15 116.488 0.00 . . . . . . A 31 ASP N . 31069 1 225 . 1 . 1 32 32 LEU H H 1 7.903 0.00 . . . . . . A 32 LEU H . 31069 1 226 . 1 . 1 32 32 LEU HD11 H 1 0.841 0.00 . . . . . . A 32 LEU HD11 . 31069 1 227 . 1 . 1 32 32 LEU HD12 H 1 0.841 0.00 . . . . . . A 32 LEU HD12 . 31069 1 228 . 1 . 1 32 32 LEU HD13 H 1 0.841 0.00 . . . . . . A 32 LEU HD13 . 31069 1 229 . 1 . 1 32 32 LEU HD21 H 1 0.860 0.00 . . . . . . A 32 LEU HD21 . 31069 1 230 . 1 . 1 32 32 LEU HD22 H 1 0.860 0.00 . . . . . . A 32 LEU HD22 . 31069 1 231 . 1 . 1 32 32 LEU HD23 H 1 0.860 0.00 . . . . . . A 32 LEU HD23 . 31069 1 232 . 1 . 1 32 32 LEU C C 13 179.582 0.02 . . . . . . A 32 LEU C . 31069 1 233 . 1 . 1 32 32 LEU CA C 13 57.966 0.00 . . . . . . A 32 LEU CA . 31069 1 234 . 1 . 1 32 32 LEU CB C 13 41.721 0.08 . . . . . . A 32 LEU CB . 31069 1 235 . 1 . 1 32 32 LEU CD1 C 13 23.996 0.00 . . . . . . A 32 LEU CD1 . 31069 1 236 . 1 . 1 32 32 LEU CD2 C 13 23.983 0.00 . . . . . . A 32 LEU CD2 . 31069 1 237 . 1 . 1 32 32 LEU N N 15 119.786 0.00 . . . . . . A 32 LEU N . 31069 1 238 . 1 . 1 33 33 LEU H H 1 8.006 0.00 . . . . . . A 33 LEU H . 31069 1 239 . 1 . 1 33 33 LEU HD11 H 1 0.826 0.00 . . . . . . A 33 LEU HD11 . 31069 1 240 . 1 . 1 33 33 LEU HD12 H 1 0.826 0.00 . . . . . . A 33 LEU HD12 . 31069 1 241 . 1 . 1 33 33 LEU HD13 H 1 0.826 0.00 . . . . . . A 33 LEU HD13 . 31069 1 242 . 1 . 1 33 33 LEU HD21 H 1 0.933 0.00 . . . . . . A 33 LEU HD21 . 31069 1 243 . 1 . 1 33 33 LEU HD22 H 1 0.933 0.00 . . . . . . A 33 LEU HD22 . 31069 1 244 . 1 . 1 33 33 LEU HD23 H 1 0.933 0.00 . . . . . . A 33 LEU HD23 . 31069 1 245 . 1 . 1 33 33 LEU C C 13 179.019 0.01 . . . . . . A 33 LEU C . 31069 1 246 . 1 . 1 33 33 LEU CA C 13 58.837 0.00 . . . . . . A 33 LEU CA . 31069 1 247 . 1 . 1 33 33 LEU CB C 13 41.331 0.08 . . . . . . A 33 LEU CB . 31069 1 248 . 1 . 1 33 33 LEU CD1 C 13 27.176 0.00 . . . . . . A 33 LEU CD1 . 31069 1 249 . 1 . 1 33 33 LEU CD2 C 13 25.335 0.00 . . . . . . A 33 LEU CD2 . 31069 1 250 . 1 . 1 33 33 LEU N N 15 120.091 0.00 . . . . . . A 33 LEU N . 31069 1 251 . 1 . 1 34 34 LEU H H 1 8.530 0.00 . . . . . . A 34 LEU H . 31069 1 252 . 1 . 1 34 34 LEU HD11 H 1 0.405 0.00 . . . . . . A 34 LEU HD11 . 31069 1 253 . 1 . 1 34 34 LEU HD12 H 1 0.405 0.00 . . . . . . A 34 LEU HD12 . 31069 1 254 . 1 . 1 34 34 LEU HD13 H 1 0.405 0.00 . . . . . . A 34 LEU HD13 . 31069 1 255 . 1 . 1 34 34 LEU HD21 H 1 0.452 0.00 . . . . . . A 34 LEU HD21 . 31069 1 256 . 1 . 1 34 34 LEU HD22 H 1 0.452 0.00 . . . . . . A 34 LEU HD22 . 31069 1 257 . 1 . 1 34 34 LEU HD23 H 1 0.452 0.00 . . . . . . A 34 LEU HD23 . 31069 1 258 . 1 . 1 34 34 LEU C C 13 180.263 0.01 . . . . . . A 34 LEU C . 31069 1 259 . 1 . 1 34 34 LEU CA C 13 58.385 0.07 . . . . . . A 34 LEU CA . 31069 1 260 . 1 . 1 34 34 LEU CB C 13 40.644 0.01 . . . . . . A 34 LEU CB . 31069 1 261 . 1 . 1 34 34 LEU CD1 C 13 24.512 0.00 . . . . . . A 34 LEU CD1 . 31069 1 262 . 1 . 1 34 34 LEU CD2 C 13 21.875 0.00 . . . . . . A 34 LEU CD2 . 31069 1 263 . 1 . 1 34 34 LEU N N 15 117.587 0.00 . . . . . . A 34 LEU N . 31069 1 264 . 1 . 1 35 35 GLN H H 1 7.527 0.00 . . . . . . A 35 GLN H . 31069 1 265 . 1 . 1 35 35 GLN C C 13 177.369 0.02 . . . . . . A 35 GLN C . 31069 1 266 . 1 . 1 35 35 GLN CA C 13 57.929 0.04 . . . . . . A 35 GLN CA . 31069 1 267 . 1 . 1 35 35 GLN CB C 13 28.743 0.00 . . . . . . A 35 GLN CB . 31069 1 268 . 1 . 1 35 35 GLN N N 15 116.127 0.00 . . . . . . A 35 GLN N . 31069 1 269 . 1 . 1 36 36 GLN H H 1 8.053 0.00 . . . . . . A 36 GLN H . 31069 1 270 . 1 . 1 36 36 GLN C C 13 175.806 0.02 . . . . . . A 36 GLN C . 31069 1 271 . 1 . 1 36 36 GLN CA C 13 55.486 0.06 . . . . . . A 36 GLN CA . 31069 1 272 . 1 . 1 36 36 GLN CB C 13 28.839 0.01 . . . . . . A 36 GLN CB . 31069 1 273 . 1 . 1 36 36 GLN N N 15 116.199 0.00 . . . . . . A 36 GLN N . 31069 1 274 . 1 . 1 37 37 GLU H H 1 7.295 0.00 . . . . . . A 37 GLU H . 31069 1 275 . 1 . 1 37 37 GLU C C 13 177.490 0.02 . . . . . . A 37 GLU C . 31069 1 276 . 1 . 1 37 37 GLU CA C 13 61.338 0.11 . . . . . . A 37 GLU CA . 31069 1 277 . 1 . 1 37 37 GLU CB C 13 29.088 0.06 . . . . . . A 37 GLU CB . 31069 1 278 . 1 . 1 37 37 GLU N N 15 121.434 0.00 . . . . . . A 37 GLU N . 31069 1 279 . 1 . 1 38 38 VAL H H 1 7.932 0.00 . . . . . . A 38 VAL H . 31069 1 280 . 1 . 1 38 38 VAL HG11 H 1 0.990 0.00 . . . . . . A 38 VAL HG11 . 31069 1 281 . 1 . 1 38 38 VAL HG12 H 1 0.990 0.00 . . . . . . A 38 VAL HG12 . 31069 1 282 . 1 . 1 38 38 VAL HG13 H 1 0.990 0.00 . . . . . . A 38 VAL HG13 . 31069 1 283 . 1 . 1 38 38 VAL HG21 H 1 0.887 0.00 . . . . . . A 38 VAL HG21 . 31069 1 284 . 1 . 1 38 38 VAL HG22 H 1 0.887 0.00 . . . . . . A 38 VAL HG22 . 31069 1 285 . 1 . 1 38 38 VAL HG23 H 1 0.887 0.00 . . . . . . A 38 VAL HG23 . 31069 1 286 . 1 . 1 38 38 VAL C C 13 178.211 0.04 . . . . . . A 38 VAL C . 31069 1 287 . 1 . 1 38 38 VAL CA C 13 66.847 0.03 . . . . . . A 38 VAL CA . 31069 1 288 . 1 . 1 38 38 VAL CB C 13 30.849 0.08 . . . . . . A 38 VAL CB . 31069 1 289 . 1 . 1 38 38 VAL CG1 C 13 22.349 0.00 . . . . . . A 38 VAL CG1 . 31069 1 290 . 1 . 1 38 38 VAL CG2 C 13 20.701 0.00 . . . . . . A 38 VAL CG2 . 31069 1 291 . 1 . 1 38 38 VAL N N 15 116.269 0.00 . . . . . . A 38 VAL N . 31069 1 292 . 1 . 1 39 39 SER H H 1 7.901 0.00 . . . . . . A 39 SER H . 31069 1 293 . 1 . 1 39 39 SER C C 13 177.258 0.04 . . . . . . A 39 SER C . 31069 1 294 . 1 . 1 39 39 SER CA C 13 61.216 0.09 . . . . . . A 39 SER CA . 31069 1 295 . 1 . 1 39 39 SER CB C 13 62.930 0.06 . . . . . . A 39 SER CB . 31069 1 296 . 1 . 1 39 39 SER N N 15 115.534 0.00 . . . . . . A 39 SER N . 31069 1 297 . 1 . 1 40 40 TYR H H 1 8.598 0.00 . . . . . . A 40 TYR H . 31069 1 298 . 1 . 1 40 40 TYR HD1 H 1 6.819 0.00 . . . . . . A 40 TYR HD1 . 31069 1 299 . 1 . 1 40 40 TYR HD2 H 1 6.819 0.00 . . . . . . A 40 TYR HD2 . 31069 1 300 . 1 . 1 40 40 TYR HE1 H 1 6.559 0.00 . . . . . . A 40 TYR HE1 . 31069 1 301 . 1 . 1 40 40 TYR HE2 H 1 6.559 0.00 . . . . . . A 40 TYR HE2 . 31069 1 302 . 1 . 1 40 40 TYR C C 13 177.274 0.05 . . . . . . A 40 TYR C . 31069 1 303 . 1 . 1 40 40 TYR CA C 13 63.094 0.14 . . . . . . A 40 TYR CA . 31069 1 304 . 1 . 1 40 40 TYR CB C 13 38.444 0.09 . . . . . . A 40 TYR CB . 31069 1 305 . 1 . 1 40 40 TYR CD1 C 13 132.133 0.00 . . . . . . A 40 TYR CD1 . 31069 1 306 . 1 . 1 40 40 TYR CD2 C 13 132.133 0.00 . . . . . . A 40 TYR CD2 . 31069 1 307 . 1 . 1 40 40 TYR CE1 C 13 117.023 0.00 . . . . . . A 40 TYR CE1 . 31069 1 308 . 1 . 1 40 40 TYR CE2 C 13 117.023 0.00 . . . . . . A 40 TYR CE2 . 31069 1 309 . 1 . 1 40 40 TYR N N 15 125.344 0.00 . . . . . . A 40 TYR N . 31069 1 310 . 1 . 1 41 41 LEU H H 1 8.483 0.00 . . . . . . A 41 LEU H . 31069 1 311 . 1 . 1 41 41 LEU HD11 H 1 0.917 0.00 . . . . . . A 41 LEU HD11 . 31069 1 312 . 1 . 1 41 41 LEU HD12 H 1 0.917 0.00 . . . . . . A 41 LEU HD12 . 31069 1 313 . 1 . 1 41 41 LEU HD13 H 1 0.917 0.00 . . . . . . A 41 LEU HD13 . 31069 1 314 . 1 . 1 41 41 LEU HD21 H 1 1.260 0.00 . . . . . . A 41 LEU HD21 . 31069 1 315 . 1 . 1 41 41 LEU HD22 H 1 1.260 0.00 . . . . . . A 41 LEU HD22 . 31069 1 316 . 1 . 1 41 41 LEU HD23 H 1 1.260 0.00 . . . . . . A 41 LEU HD23 . 31069 1 317 . 1 . 1 41 41 LEU C C 13 179.358 0.05 . . . . . . A 41 LEU C . 31069 1 318 . 1 . 1 41 41 LEU CA C 13 58.444 0.09 . . . . . . A 41 LEU CA . 31069 1 319 . 1 . 1 41 41 LEU CB C 13 41.302 0.02 . . . . . . A 41 LEU CB . 31069 1 320 . 1 . 1 41 41 LEU CD1 C 13 24.358 0.00 . . . . . . A 41 LEU CD1 . 31069 1 321 . 1 . 1 41 41 LEU CD2 C 13 22.371 0.00 . . . . . . A 41 LEU CD2 . 31069 1 322 . 1 . 1 41 41 LEU N N 15 119.604 0.00 . . . . . . A 41 LEU N . 31069 1 323 . 1 . 1 42 42 GLN H H 1 8.009 0.00 . . . . . . A 42 GLN H . 31069 1 324 . 1 . 1 42 42 GLN C C 13 179.169 0.03 . . . . . . A 42 GLN C . 31069 1 325 . 1 . 1 42 42 GLN CA C 13 59.031 0.10 . . . . . . A 42 GLN CA . 31069 1 326 . 1 . 1 42 42 GLN CB C 13 27.846 0.06 . . . . . . A 42 GLN CB . 31069 1 327 . 1 . 1 42 42 GLN N N 15 116.408 0.00 . . . . . . A 42 GLN N . 31069 1 328 . 1 . 1 43 43 SER H H 1 7.842 0.00 . . . . . . A 43 SER H . 31069 1 329 . 1 . 1 43 43 SER C C 13 177.195 0.02 . . . . . . A 43 SER C . 31069 1 330 . 1 . 1 43 43 SER CA C 13 62.917 0.01 . . . . . . A 43 SER CA . 31069 1 331 . 1 . 1 43 43 SER N N 15 115.920 0.00 . . . . . . A 43 SER N . 31069 1 332 . 1 . 1 44 44 ILE H H 1 8.216 0.00 . . . . . . A 44 ILE H . 31069 1 333 . 1 . 1 44 44 ILE HD11 H 1 0.683 0.00 . . . . . . A 44 ILE HD11 . 31069 1 334 . 1 . 1 44 44 ILE HD12 H 1 0.683 0.00 . . . . . . A 44 ILE HD12 . 31069 1 335 . 1 . 1 44 44 ILE HD13 H 1 0.683 0.00 . . . . . . A 44 ILE HD13 . 31069 1 336 . 1 . 1 44 44 ILE C C 13 178.560 0.03 . . . . . . A 44 ILE C . 31069 1 337 . 1 . 1 44 44 ILE CA C 13 64.698 0.00 . . . . . . A 44 ILE CA . 31069 1 338 . 1 . 1 44 44 ILE CB C 13 37.334 0.08 . . . . . . A 44 ILE CB . 31069 1 339 . 1 . 1 44 44 ILE CD1 C 13 14.130 0.00 . . . . . . A 44 ILE CD1 . 31069 1 340 . 1 . 1 44 44 ILE N N 15 119.238 0.00 . . . . . . A 44 ILE N . 31069 1 341 . 1 . 1 45 45 GLU H H 1 7.686 0.00 . . . . . . A 45 GLU H . 31069 1 342 . 1 . 1 45 45 GLU C C 13 178.839 0.03 . . . . . . A 45 GLU C . 31069 1 343 . 1 . 1 45 45 GLU CA C 13 59.335 0.02 . . . . . . A 45 GLU CA . 31069 1 344 . 1 . 1 45 45 GLU CB C 13 29.343 0.01 . . . . . . A 45 GLU CB . 31069 1 345 . 1 . 1 45 45 GLU N N 15 120.614 0.00 . . . . . . A 45 GLU N . 31069 1 346 . 1 . 1 46 46 THR H H 1 7.491 0.00 . . . . . . A 46 THR H . 31069 1 347 . 1 . 1 46 46 THR HG21 H 1 1.323 0.00 . . . . . . A 46 THR HG21 . 31069 1 348 . 1 . 1 46 46 THR HG22 H 1 1.323 0.00 . . . . . . A 46 THR HG22 . 31069 1 349 . 1 . 1 46 46 THR HG23 H 1 1.323 0.00 . . . . . . A 46 THR HG23 . 31069 1 350 . 1 . 1 46 46 THR C C 13 175.564 0.00 . . . . . . A 46 THR C . 31069 1 351 . 1 . 1 46 46 THR CA C 13 64.760 0.00 . . . . . . A 46 THR CA . 31069 1 352 . 1 . 1 46 46 THR CB C 13 70.055 0.00 . . . . . . A 46 THR CB . 31069 1 353 . 1 . 1 46 46 THR CG2 C 13 21.663 0.00 . . . . . . A 46 THR CG2 . 31069 1 354 . 1 . 1 46 46 THR N N 15 109.217 0.00 . . . . . . A 46 THR N . 31069 1 355 . 1 . 1 47 47 VAL H H 1 6.767 0.00 . . . . . . A 47 VAL H . 31069 1 356 . 1 . 1 47 47 VAL HG11 H 1 -0.178 0.00 . . . . . . A 47 VAL HG11 . 31069 1 357 . 1 . 1 47 47 VAL HG12 H 1 -0.178 0.00 . . . . . . A 47 VAL HG12 . 31069 1 358 . 1 . 1 47 47 VAL HG13 H 1 -0.178 0.00 . . . . . . A 47 VAL HG13 . 31069 1 359 . 1 . 1 47 47 VAL HG21 H 1 0.126 0.00 . . . . . . A 47 VAL HG21 . 31069 1 360 . 1 . 1 47 47 VAL HG22 H 1 0.126 0.00 . . . . . . A 47 VAL HG22 . 31069 1 361 . 1 . 1 47 47 VAL HG23 H 1 0.126 0.00 . . . . . . A 47 VAL HG23 . 31069 1 362 . 1 . 1 47 47 VAL C C 13 176.157 0.00 . . . . . . A 47 VAL C . 31069 1 363 . 1 . 1 47 47 VAL CA C 13 61.576 0.00 . . . . . . A 47 VAL CA . 31069 1 364 . 1 . 1 47 47 VAL CB C 13 30.815 0.00 . . . . . . A 47 VAL CB . 31069 1 365 . 1 . 1 47 47 VAL CG1 C 13 20.926 0.00 . . . . . . A 47 VAL CG1 . 31069 1 366 . 1 . 1 47 47 VAL CG2 C 13 18.809 0.00 . . . . . . A 47 VAL CG2 . 31069 1 367 . 1 . 1 47 47 VAL N N 15 123.690 0.00 . . . . . . A 47 VAL N . 31069 1 368 . 1 . 1 48 48 MET H H 1 7.310 0.00 . . . . . . A 48 MET H . 31069 1 369 . 1 . 1 48 48 MET HE1 H 1 2.085 0.00 . . . . . . A 48 MET HE1 . 31069 1 370 . 1 . 1 48 48 MET HE2 H 1 2.085 0.00 . . . . . . A 48 MET HE2 . 31069 1 371 . 1 . 1 48 48 MET HE3 H 1 2.085 0.00 . . . . . . A 48 MET HE3 . 31069 1 372 . 1 . 1 48 48 MET C C 13 176.374 0.05 . . . . . . A 48 MET C . 31069 1 373 . 1 . 1 48 48 MET CA C 13 56.578 0.02 . . . . . . A 48 MET CA . 31069 1 374 . 1 . 1 48 48 MET CB C 13 32.576 0.02 . . . . . . A 48 MET CB . 31069 1 375 . 1 . 1 48 48 MET CE C 13 16.938 0.00 . . . . . . A 48 MET CE . 31069 1 376 . 1 . 1 48 48 MET N N 15 120.883 0.00 . . . . . . A 48 MET N . 31069 1 377 . 1 . 1 49 49 GLU H H 1 8.228 0.00 . . . . . . A 49 GLU H . 31069 1 378 . 1 . 1 49 49 GLU C C 13 176.875 0.00 . . . . . . A 49 GLU C . 31069 1 379 . 1 . 1 49 49 GLU CA C 13 57.831 0.00 . . . . . . A 49 GLU CA . 31069 1 380 . 1 . 1 49 49 GLU CB C 13 30.013 0.00 . . . . . . A 49 GLU CB . 31069 1 381 . 1 . 1 49 49 GLU N N 15 120.622 0.00 . . . . . . A 49 GLU N . 31069 1 382 . 1 . 1 50 50 LYS C C 13 176.680 0.01 . . . . . . A 50 LYS C . 31069 1 383 . 1 . 1 50 50 LYS CA C 13 56.739 0.00 . . . . . . A 50 LYS CA . 31069 1 384 . 1 . 1 50 50 LYS CB C 13 32.579 0.00 . . . . . . A 50 LYS CB . 31069 1 385 . 1 . 1 51 51 GLN H H 1 8.253 0.00 . . . . . . A 51 GLN H . 31069 1 386 . 1 . 1 51 51 GLN C C 13 175.580 0.03 . . . . . . A 51 GLN C . 31069 1 387 . 1 . 1 51 51 GLN CA C 13 55.797 0.07 . . . . . . A 51 GLN CA . 31069 1 388 . 1 . 1 51 51 GLN CB C 13 29.752 0.00 . . . . . . A 51 GLN CB . 31069 1 389 . 1 . 1 51 51 GLN N N 15 119.383 0.00 . . . . . . A 51 GLN N . 31069 1 390 . 1 . 1 52 52 THR H H 1 8.222 0.00 . . . . . . A 52 THR H . 31069 1 391 . 1 . 1 52 52 THR HG21 H 1 0.983 0.00 . . . . . . A 52 THR HG21 . 31069 1 392 . 1 . 1 52 52 THR HG22 H 1 0.983 0.00 . . . . . . A 52 THR HG22 . 31069 1 393 . 1 . 1 52 52 THR HG23 H 1 0.983 0.00 . . . . . . A 52 THR HG23 . 31069 1 394 . 1 . 1 52 52 THR C C 13 172.288 0.00 . . . . . . A 52 THR C . 31069 1 395 . 1 . 1 52 52 THR CA C 13 60.599 0.00 . . . . . . A 52 THR CA . 31069 1 396 . 1 . 1 52 52 THR CB C 13 69.473 0.00 . . . . . . A 52 THR CB . 31069 1 397 . 1 . 1 52 52 THR CG2 C 13 21.639 0.00 . . . . . . A 52 THR CG2 . 31069 1 398 . 1 . 1 52 52 THR N N 15 118.425 0.00 . . . . . . A 52 THR N . 31069 1 399 . 1 . 1 54 54 PRO C C 13 177.702 0.00 . . . . . . A 54 PRO C . 31069 1 400 . 1 . 1 54 54 PRO CA C 13 63.329 0.00 . . . . . . A 54 PRO CA . 31069 1 401 . 1 . 1 54 54 PRO CB C 13 31.948 0.00 . . . . . . A 54 PRO CB . 31069 1 402 . 1 . 1 55 55 GLY H H 1 8.395 0.00 . . . . . . A 55 GLY H . 31069 1 403 . 1 . 1 55 55 GLY C C 13 174.885 0.01 . . . . . . A 55 GLY C . 31069 1 404 . 1 . 1 55 55 GLY CA C 13 46.469 0.02 . . . . . . A 55 GLY CA . 31069 1 405 . 1 . 1 55 55 GLY N N 15 107.112 0.00 . . . . . . A 55 GLY N . 31069 1 406 . 1 . 1 56 56 ILE H H 1 7.646 0.00 . . . . . . A 56 ILE H . 31069 1 407 . 1 . 1 56 56 ILE HD11 H 1 0.786 0.00 . . . . . . A 56 ILE HD11 . 31069 1 408 . 1 . 1 56 56 ILE HD12 H 1 0.786 0.00 . . . . . . A 56 ILE HD12 . 31069 1 409 . 1 . 1 56 56 ILE HD13 H 1 0.786 0.00 . . . . . . A 56 ILE HD13 . 31069 1 410 . 1 . 1 56 56 ILE C C 13 175.501 0.00 . . . . . . A 56 ILE C . 31069 1 411 . 1 . 1 56 56 ILE CA C 13 61.820 0.06 . . . . . . A 56 ILE CA . 31069 1 412 . 1 . 1 56 56 ILE CB C 13 37.003 0.00 . . . . . . A 56 ILE CB . 31069 1 413 . 1 . 1 56 56 ILE CD1 C 13 12.490 0.00 . . . . . . A 56 ILE CD1 . 31069 1 414 . 1 . 1 56 56 ILE N N 15 118.438 0.00 . . . . . . A 56 ILE N . 31069 1 415 . 1 . 1 57 57 THR H H 1 7.042 0.00 . . . . . . A 57 THR H . 31069 1 416 . 1 . 1 57 57 THR HG21 H 1 1.322 0.00 . . . . . . A 57 THR HG21 . 31069 1 417 . 1 . 1 57 57 THR HG22 H 1 1.322 0.00 . . . . . . A 57 THR HG22 . 31069 1 418 . 1 . 1 57 57 THR HG23 H 1 1.322 0.00 . . . . . . A 57 THR HG23 . 31069 1 419 . 1 . 1 57 57 THR C C 13 175.358 0.00 . . . . . . A 57 THR C . 31069 1 420 . 1 . 1 57 57 THR CA C 13 60.596 0.00 . . . . . . A 57 THR CA . 31069 1 421 . 1 . 1 57 57 THR CB C 13 71.592 0.00 . . . . . . A 57 THR CB . 31069 1 422 . 1 . 1 57 57 THR CG2 C 13 21.805 0.00 . . . . . . A 57 THR CG2 . 31069 1 423 . 1 . 1 57 57 THR N N 15 116.050 0.00 . . . . . . A 57 THR N . 31069 1 424 . 1 . 1 59 59 SER H H 1 8.357 0.00 . . . . . . A 59 SER H . 31069 1 425 . 1 . 1 59 59 SER C C 13 177.537 0.00 . . . . . . A 59 SER C . 31069 1 426 . 1 . 1 59 59 SER CA C 13 61.840 0.06 . . . . . . A 59 SER CA . 31069 1 427 . 1 . 1 59 59 SER CB C 13 62.577 0.11 . . . . . . A 59 SER CB . 31069 1 428 . 1 . 1 59 59 SER N N 15 112.180 0.00 . . . . . . A 59 SER N . 31069 1 429 . 1 . 1 60 60 ILE H H 1 7.394 0.00 . . . . . . A 60 ILE H . 31069 1 430 . 1 . 1 60 60 ILE HD11 H 1 1.018 0.00 . . . . . . A 60 ILE HD11 . 31069 1 431 . 1 . 1 60 60 ILE HD12 H 1 1.018 0.00 . . . . . . A 60 ILE HD12 . 31069 1 432 . 1 . 1 60 60 ILE HD13 H 1 1.018 0.00 . . . . . . A 60 ILE HD13 . 31069 1 433 . 1 . 1 60 60 ILE C C 13 177.538 0.01 . . . . . . A 60 ILE C . 31069 1 434 . 1 . 1 60 60 ILE CA C 13 64.674 0.03 . . . . . . A 60 ILE CA . 31069 1 435 . 1 . 1 60 60 ILE CB C 13 37.631 0.02 . . . . . . A 60 ILE CB . 31069 1 436 . 1 . 1 60 60 ILE CD1 C 13 12.551 0.00 . . . . . . A 60 ILE CD1 . 31069 1 437 . 1 . 1 60 60 ILE N N 15 121.952 0.00 . . . . . . A 60 ILE N . 31069 1 438 . 1 . 1 61 61 GLN H H 1 8.688 0.00 . . . . . . A 61 GLN H . 31069 1 439 . 1 . 1 61 61 GLN C C 13 178.061 0.02 . . . . . . A 61 GLN C . 31069 1 440 . 1 . 1 61 61 GLN CA C 13 60.502 0.03 . . . . . . A 61 GLN CA . 31069 1 441 . 1 . 1 61 61 GLN CB C 13 28.338 0.02 . . . . . . A 61 GLN CB . 31069 1 442 . 1 . 1 61 61 GLN N N 15 121.117 0.00 . . . . . . A 61 GLN N . 31069 1 443 . 1 . 1 62 62 ASP H H 1 8.486 0.00 . . . . . . A 62 ASP H . 31069 1 444 . 1 . 1 62 62 ASP C C 13 179.166 0.03 . . . . . . A 62 ASP C . 31069 1 445 . 1 . 1 62 62 ASP CA C 13 57.689 0.07 . . . . . . A 62 ASP CA . 31069 1 446 . 1 . 1 62 62 ASP CB C 13 40.344 0.06 . . . . . . A 62 ASP CB . 31069 1 447 . 1 . 1 62 62 ASP N N 15 117.690 0.00 . . . . . . A 62 ASP N . 31069 1 448 . 1 . 1 63 63 MET H H 1 7.753 0.00 . . . . . . A 63 MET H . 31069 1 449 . 1 . 1 63 63 MET HE1 H 1 2.136 0.00 . . . . . . A 63 MET HE1 . 31069 1 450 . 1 . 1 63 63 MET HE2 H 1 2.136 0.00 . . . . . . A 63 MET HE2 . 31069 1 451 . 1 . 1 63 63 MET HE3 H 1 2.136 0.00 . . . . . . A 63 MET HE3 . 31069 1 452 . 1 . 1 63 63 MET C C 13 178.603 0.04 . . . . . . A 63 MET C . 31069 1 453 . 1 . 1 63 63 MET CA C 13 58.928 0.06 . . . . . . A 63 MET CA . 31069 1 454 . 1 . 1 63 63 MET CB C 13 33.219 0.06 . . . . . . A 63 MET CB . 31069 1 455 . 1 . 1 63 63 MET CE C 13 16.954 0.00 . . . . . . A 63 MET CE . 31069 1 456 . 1 . 1 63 63 MET N N 15 120.907 0.00 . . . . . . A 63 MET N . 31069 1 457 . 1 . 1 64 64 VAL H H 1 8.464 0.00 . . . . . . A 64 VAL H . 31069 1 458 . 1 . 1 64 64 VAL HG11 H 1 0.848 0.00 . . . . . . A 64 VAL HG11 . 31069 1 459 . 1 . 1 64 64 VAL HG12 H 1 0.848 0.00 . . . . . . A 64 VAL HG12 . 31069 1 460 . 1 . 1 64 64 VAL HG13 H 1 0.848 0.00 . . . . . . A 64 VAL HG13 . 31069 1 461 . 1 . 1 64 64 VAL HG21 H 1 -0.561 0.00 . . . . . . A 64 VAL HG21 . 31069 1 462 . 1 . 1 64 64 VAL HG22 H 1 -0.561 0.00 . . . . . . A 64 VAL HG22 . 31069 1 463 . 1 . 1 64 64 VAL HG23 H 1 -0.561 0.00 . . . . . . A 64 VAL HG23 . 31069 1 464 . 1 . 1 64 64 VAL C C 13 177.279 0.02 . . . . . . A 64 VAL C . 31069 1 465 . 1 . 1 64 64 VAL CA C 13 67.550 0.00 . . . . . . A 64 VAL CA . 31069 1 466 . 1 . 1 64 64 VAL CB C 13 31.228 0.00 . . . . . . A 64 VAL CB . 31069 1 467 . 1 . 1 64 64 VAL CG1 C 13 23.875 0.00 . . . . . . A 64 VAL CG1 . 31069 1 468 . 1 . 1 64 64 VAL CG2 C 13 19.858 0.00 . . . . . . A 64 VAL CG2 . 31069 1 469 . 1 . 1 64 64 VAL N N 15 119.381 0.00 . . . . . . A 64 VAL N . 31069 1 470 . 1 . 1 65 65 ALA H H 1 8.526 0.00 . . . . . . A 65 ALA H . 31069 1 471 . 1 . 1 65 65 ALA HB1 H 1 1.464 0.00 . . . . . . A 65 ALA HB1 . 31069 1 472 . 1 . 1 65 65 ALA HB2 H 1 1.464 0.00 . . . . . . A 65 ALA HB2 . 31069 1 473 . 1 . 1 65 65 ALA HB3 H 1 1.464 0.00 . . . . . . A 65 ALA HB3 . 31069 1 474 . 1 . 1 65 65 ALA C C 13 179.714 0.01 . . . . . . A 65 ALA C . 31069 1 475 . 1 . 1 65 65 ALA CA C 13 55.738 0.01 . . . . . . A 65 ALA CA . 31069 1 476 . 1 . 1 65 65 ALA CB C 13 17.814 0.06 . . . . . . A 65 ALA CB . 31069 1 477 . 1 . 1 65 65 ALA N N 15 119.970 0.00 . . . . . . A 65 ALA N . 31069 1 478 . 1 . 1 66 66 GLY H H 1 7.613 0.00 . . . . . . A 66 GLY H . 31069 1 479 . 1 . 1 66 66 GLY C C 13 176.866 0.01 . . . . . . A 66 GLY C . 31069 1 480 . 1 . 1 66 66 GLY CA C 13 47.281 0.01 . . . . . . A 66 GLY CA . 31069 1 481 . 1 . 1 66 66 GLY N N 15 103.576 0.00 . . . . . . A 66 GLY N . 31069 1 482 . 1 . 1 67 67 TYR H H 1 7.355 0.00 . . . . . . A 67 TYR H . 31069 1 483 . 1 . 1 67 67 TYR HD1 H 1 6.983 0.00 . . . . . . A 67 TYR HD1 . 31069 1 484 . 1 . 1 67 67 TYR HD2 H 1 6.983 0.00 . . . . . . A 67 TYR HD2 . 31069 1 485 . 1 . 1 67 67 TYR HE1 H 1 6.792 0.00 . . . . . . A 67 TYR HE1 . 31069 1 486 . 1 . 1 67 67 TYR HE2 H 1 6.792 0.00 . . . . . . A 67 TYR HE2 . 31069 1 487 . 1 . 1 67 67 TYR C C 13 179.348 0.03 . . . . . . A 67 TYR C . 31069 1 488 . 1 . 1 67 67 TYR CA C 13 60.189 0.02 . . . . . . A 67 TYR CA . 31069 1 489 . 1 . 1 67 67 TYR CB C 13 37.856 0.02 . . . . . . A 67 TYR CB . 31069 1 490 . 1 . 1 67 67 TYR CD1 C 13 131.995 0.00 . . . . . . A 67 TYR CD1 . 31069 1 491 . 1 . 1 67 67 TYR CD2 C 13 131.995 0.00 . . . . . . A 67 TYR CD2 . 31069 1 492 . 1 . 1 67 67 TYR CE1 C 13 118.406 0.00 . . . . . . A 67 TYR CE1 . 31069 1 493 . 1 . 1 67 67 TYR CE2 C 13 118.406 0.00 . . . . . . A 67 TYR CE2 . 31069 1 494 . 1 . 1 67 67 TYR N N 15 121.584 0.00 . . . . . . A 67 TYR N . 31069 1 495 . 1 . 1 68 68 ILE H H 1 8.313 0.00 . . . . . . A 68 ILE H . 31069 1 496 . 1 . 1 68 68 ILE HD11 H 1 -0.273 0.00 . . . . . . A 68 ILE HD11 . 31069 1 497 . 1 . 1 68 68 ILE HD12 H 1 -0.273 0.00 . . . . . . A 68 ILE HD12 . 31069 1 498 . 1 . 1 68 68 ILE HD13 H 1 -0.273 0.00 . . . . . . A 68 ILE HD13 . 31069 1 499 . 1 . 1 68 68 ILE C C 13 177.508 0.05 . . . . . . A 68 ILE C . 31069 1 500 . 1 . 1 68 68 ILE CA C 13 66.251 0.09 . . . . . . A 68 ILE CA . 31069 1 501 . 1 . 1 68 68 ILE CB C 13 36.764 0.04 . . . . . . A 68 ILE CB . 31069 1 502 . 1 . 1 68 68 ILE CD1 C 13 13.875 0.00 . . . . . . A 68 ILE CD1 . 31069 1 503 . 1 . 1 68 68 ILE N N 15 123.299 0.00 . . . . . . A 68 ILE N . 31069 1 504 . 1 . 1 69 69 LYS H H 1 8.299 0.00 . . . . . . A 69 LYS H . 31069 1 505 . 1 . 1 69 69 LYS C C 13 177.665 0.03 . . . . . . A 69 LYS C . 31069 1 506 . 1 . 1 69 69 LYS CA C 13 60.104 0.02 . . . . . . A 69 LYS CA . 31069 1 507 . 1 . 1 69 69 LYS CB C 13 32.069 0.02 . . . . . . A 69 LYS CB . 31069 1 508 . 1 . 1 69 69 LYS N N 15 119.236 0.00 . . . . . . A 69 LYS N . 31069 1 509 . 1 . 1 70 70 GLN H H 1 7.959 0.00 . . . . . . A 70 GLN H . 31069 1 510 . 1 . 1 70 70 GLN C C 13 177.928 0.06 . . . . . . A 70 GLN C . 31069 1 511 . 1 . 1 70 70 GLN CA C 13 59.376 0.02 . . . . . . A 70 GLN CA . 31069 1 512 . 1 . 1 70 70 GLN CB C 13 29.115 0.04 . . . . . . A 70 GLN CB . 31069 1 513 . 1 . 1 70 70 GLN N N 15 117.227 0.00 . . . . . . A 70 GLN N . 31069 1 514 . 1 . 1 71 71 THR H H 1 7.890 0.00 . . . . . . A 71 THR H . 31069 1 515 . 1 . 1 71 71 THR HG21 H 1 1.107 0.00 . . . . . . A 71 THR HG21 . 31069 1 516 . 1 . 1 71 71 THR HG22 H 1 1.107 0.00 . . . . . . A 71 THR HG22 . 31069 1 517 . 1 . 1 71 71 THR HG23 H 1 1.107 0.00 . . . . . . A 71 THR HG23 . 31069 1 518 . 1 . 1 71 71 THR C C 13 175.957 0.00 . . . . . . A 71 THR C . 31069 1 519 . 1 . 1 71 71 THR CA C 13 67.625 0.01 . . . . . . A 71 THR CA . 31069 1 520 . 1 . 1 71 71 THR CB C 13 68.821 0.02 . . . . . . A 71 THR CB . 31069 1 521 . 1 . 1 71 71 THR CG2 C 13 20.975 0.00 . . . . . . A 71 THR CG2 . 31069 1 522 . 1 . 1 71 71 THR N N 15 116.301 0.00 . . . . . . A 71 THR N . 31069 1 523 . 1 . 1 72 72 LEU H H 1 8.731 0.00 . . . . . . A 72 LEU H . 31069 1 524 . 1 . 1 72 72 LEU HD11 H 1 1.119 0.00 . . . . . . A 72 LEU HD11 . 31069 1 525 . 1 . 1 72 72 LEU HD12 H 1 1.119 0.00 . . . . . . A 72 LEU HD12 . 31069 1 526 . 1 . 1 72 72 LEU HD13 H 1 1.119 0.00 . . . . . . A 72 LEU HD13 . 31069 1 527 . 1 . 1 72 72 LEU HD21 H 1 0.993 0.00 . . . . . . A 72 LEU HD21 . 31069 1 528 . 1 . 1 72 72 LEU HD22 H 1 0.993 0.00 . . . . . . A 72 LEU HD22 . 31069 1 529 . 1 . 1 72 72 LEU HD23 H 1 0.993 0.00 . . . . . . A 72 LEU HD23 . 31069 1 530 . 1 . 1 72 72 LEU C C 13 179.321 0.01 . . . . . . A 72 LEU C . 31069 1 531 . 1 . 1 72 72 LEU CA C 13 58.284 0.01 . . . . . . A 72 LEU CA . 31069 1 532 . 1 . 1 72 72 LEU CB C 13 42.798 0.04 . . . . . . A 72 LEU CB . 31069 1 533 . 1 . 1 72 72 LEU CD1 C 13 25.668 0.00 . . . . . . A 72 LEU CD1 . 31069 1 534 . 1 . 1 72 72 LEU CD2 C 13 26.932 0.00 . . . . . . A 72 LEU CD2 . 31069 1 535 . 1 . 1 72 72 LEU N N 15 122.446 0.00 . . . . . . A 72 LEU N . 31069 1 536 . 1 . 1 73 73 ASP H H 1 8.810 0.00 . . . . . . A 73 ASP H . 31069 1 537 . 1 . 1 73 73 ASP C C 13 179.743 0.06 . . . . . . A 73 ASP C . 31069 1 538 . 1 . 1 73 73 ASP CA C 13 58.074 0.08 . . . . . . A 73 ASP CA . 31069 1 539 . 1 . 1 73 73 ASP CB C 13 39.777 0.10 . . . . . . A 73 ASP CB . 31069 1 540 . 1 . 1 73 73 ASP N N 15 120.116 0.00 . . . . . . A 73 ASP N . 31069 1 541 . 1 . 1 74 74 ASN H H 1 8.342 0.00 . . . . . . A 74 ASN H . 31069 1 542 . 1 . 1 74 74 ASN C C 13 178.291 0.04 . . . . . . A 74 ASN C . 31069 1 543 . 1 . 1 74 74 ASN CA C 13 56.208 0.07 . . . . . . A 74 ASN CA . 31069 1 544 . 1 . 1 74 74 ASN CB C 13 37.035 0.04 . . . . . . A 74 ASN CB . 31069 1 545 . 1 . 1 74 74 ASN N N 15 119.518 0.00 . . . . . . A 74 ASN N . 31069 1 546 . 1 . 1 75 75 GLU H H 1 9.416 0.00 . . . . . . A 75 GLU H . 31069 1 547 . 1 . 1 75 75 GLU C C 13 178.782 0.03 . . . . . . A 75 GLU C . 31069 1 548 . 1 . 1 75 75 GLU CA C 13 60.608 0.00 . . . . . . A 75 GLU CA . 31069 1 549 . 1 . 1 75 75 GLU CB C 13 28.921 0.04 . . . . . . A 75 GLU CB . 31069 1 550 . 1 . 1 75 75 GLU N N 15 120.573 0.00 . . . . . . A 75 GLU N . 31069 1 551 . 1 . 1 76 76 GLN H H 1 8.638 0.00 . . . . . . A 76 GLN H . 31069 1 552 . 1 . 1 76 76 GLN C C 13 179.721 0.03 . . . . . . A 76 GLN C . 31069 1 553 . 1 . 1 76 76 GLN CA C 13 60.442 0.00 . . . . . . A 76 GLN CA . 31069 1 554 . 1 . 1 76 76 GLN CB C 13 29.394 0.07 . . . . . . A 76 GLN CB . 31069 1 555 . 1 . 1 76 76 GLN N N 15 117.914 0.00 . . . . . . A 76 GLN N . 31069 1 556 . 1 . 1 77 77 LEU H H 1 8.003 0.00 . . . . . . A 77 LEU H . 31069 1 557 . 1 . 1 77 77 LEU HD11 H 1 0.942 0.00 . . . . . . A 77 LEU HD11 . 31069 1 558 . 1 . 1 77 77 LEU HD12 H 1 0.942 0.00 . . . . . . A 77 LEU HD12 . 31069 1 559 . 1 . 1 77 77 LEU HD13 H 1 0.942 0.00 . . . . . . A 77 LEU HD13 . 31069 1 560 . 1 . 1 77 77 LEU HD21 H 1 0.982 0.00 . . . . . . A 77 LEU HD21 . 31069 1 561 . 1 . 1 77 77 LEU HD22 H 1 0.982 0.00 . . . . . . A 77 LEU HD22 . 31069 1 562 . 1 . 1 77 77 LEU HD23 H 1 0.982 0.00 . . . . . . A 77 LEU HD23 . 31069 1 563 . 1 . 1 77 77 LEU C C 13 179.583 0.18 . . . . . . A 77 LEU C . 31069 1 564 . 1 . 1 77 77 LEU CA C 13 58.351 0.02 . . . . . . A 77 LEU CA . 31069 1 565 . 1 . 1 77 77 LEU CB C 13 41.920 0.09 . . . . . . A 77 LEU CB . 31069 1 566 . 1 . 1 77 77 LEU CD1 C 13 23.508 0.00 . . . . . . A 77 LEU CD1 . 31069 1 567 . 1 . 1 77 77 LEU CD2 C 13 24.810 0.00 . . . . . . A 77 LEU CD2 . 31069 1 568 . 1 . 1 77 77 LEU N N 15 121.682 0.00 . . . . . . A 77 LEU N . 31069 1 569 . 1 . 1 78 78 LEU H H 1 8.839 0.00 . . . . . . A 78 LEU H . 31069 1 570 . 1 . 1 78 78 LEU HD11 H 1 0.954 0.00 . . . . . . A 78 LEU HD11 . 31069 1 571 . 1 . 1 78 78 LEU HD12 H 1 0.954 0.00 . . . . . . A 78 LEU HD12 . 31069 1 572 . 1 . 1 78 78 LEU HD13 H 1 0.954 0.00 . . . . . . A 78 LEU HD13 . 31069 1 573 . 1 . 1 78 78 LEU HD21 H 1 0.902 0.00 . . . . . . A 78 LEU HD21 . 31069 1 574 . 1 . 1 78 78 LEU HD22 H 1 0.902 0.00 . . . . . . A 78 LEU HD22 . 31069 1 575 . 1 . 1 78 78 LEU HD23 H 1 0.902 0.00 . . . . . . A 78 LEU HD23 . 31069 1 576 . 1 . 1 78 78 LEU C C 13 177.710 0.01 . . . . . . A 78 LEU C . 31069 1 577 . 1 . 1 78 78 LEU CA C 13 58.468 0.09 . . . . . . A 78 LEU CA . 31069 1 578 . 1 . 1 78 78 LEU CB C 13 41.802 0.03 . . . . . . A 78 LEU CB . 31069 1 579 . 1 . 1 78 78 LEU CD1 C 13 26.317 0.00 . . . . . . A 78 LEU CD1 . 31069 1 580 . 1 . 1 78 78 LEU CD2 C 13 23.900 0.00 . . . . . . A 78 LEU CD2 . 31069 1 581 . 1 . 1 78 78 LEU N N 15 121.269 0.00 . . . . . . A 78 LEU N . 31069 1 582 . 1 . 1 79 79 LYS H H 1 8.598 0.00 . . . . . . A 79 LYS H . 31069 1 583 . 1 . 1 79 79 LYS C C 13 178.189 0.03 . . . . . . A 79 LYS C . 31069 1 584 . 1 . 1 79 79 LYS CA C 13 61.181 0.01 . . . . . . A 79 LYS CA . 31069 1 585 . 1 . 1 79 79 LYS CB C 13 31.209 0.11 . . . . . . A 79 LYS CB . 31069 1 586 . 1 . 1 79 79 LYS N N 15 119.055 0.00 . . . . . . A 79 LYS N . 31069 1 587 . 1 . 1 80 80 GLY H H 1 7.734 0.00 . . . . . . A 80 GLY H . 31069 1 588 . 1 . 1 80 80 GLY C C 13 177.008 0.01 . . . . . . A 80 GLY C . 31069 1 589 . 1 . 1 80 80 GLY CA C 13 47.553 0.00 . . . . . . A 80 GLY CA . 31069 1 590 . 1 . 1 80 80 GLY N N 15 104.192 0.00 . . . . . . A 80 GLY N . 31069 1 591 . 1 . 1 81 81 LEU H H 1 8.172 0.00 . . . . . . A 81 LEU H . 31069 1 592 . 1 . 1 81 81 LEU HD11 H 1 0.850 0.00 . . . . . . A 81 LEU HD11 . 31069 1 593 . 1 . 1 81 81 LEU HD12 H 1 0.850 0.00 . . . . . . A 81 LEU HD12 . 31069 1 594 . 1 . 1 81 81 LEU HD13 H 1 0.850 0.00 . . . . . . A 81 LEU HD13 . 31069 1 595 . 1 . 1 81 81 LEU HD21 H 1 0.970 0.00 . . . . . . A 81 LEU HD21 . 31069 1 596 . 1 . 1 81 81 LEU HD22 H 1 0.970 0.00 . . . . . . A 81 LEU HD22 . 31069 1 597 . 1 . 1 81 81 LEU HD23 H 1 0.970 0.00 . . . . . . A 81 LEU HD23 . 31069 1 598 . 1 . 1 81 81 LEU C C 13 180.730 0.06 . . . . . . A 81 LEU C . 31069 1 599 . 1 . 1 81 81 LEU CA C 13 58.501 0.02 . . . . . . A 81 LEU CA . 31069 1 600 . 1 . 1 81 81 LEU CB C 13 41.706 0.04 . . . . . . A 81 LEU CB . 31069 1 601 . 1 . 1 81 81 LEU CD1 C 13 26.795 0.00 . . . . . . A 81 LEU CD1 . 31069 1 602 . 1 . 1 81 81 LEU CD2 C 13 22.243 0.00 . . . . . . A 81 LEU CD2 . 31069 1 603 . 1 . 1 81 81 LEU N N 15 122.654 0.00 . . . . . . A 81 LEU N . 31069 1 604 . 1 . 1 82 82 LEU H H 1 8.652 0.00 . . . . . . A 82 LEU H . 31069 1 605 . 1 . 1 82 82 LEU HD11 H 1 1.036 0.00 . . . . . . A 82 LEU HD11 . 31069 1 606 . 1 . 1 82 82 LEU HD12 H 1 1.036 0.00 . . . . . . A 82 LEU HD12 . 31069 1 607 . 1 . 1 82 82 LEU HD13 H 1 1.036 0.00 . . . . . . A 82 LEU HD13 . 31069 1 608 . 1 . 1 82 82 LEU HD21 H 1 0.545 0.00 . . . . . . A 82 LEU HD21 . 31069 1 609 . 1 . 1 82 82 LEU HD22 H 1 0.545 0.00 . . . . . . A 82 LEU HD22 . 31069 1 610 . 1 . 1 82 82 LEU HD23 H 1 0.545 0.00 . . . . . . A 82 LEU HD23 . 31069 1 611 . 1 . 1 82 82 LEU C C 13 178.366 0.01 . . . . . . A 82 LEU C . 31069 1 612 . 1 . 1 82 82 LEU CA C 13 58.573 0.07 . . . . . . A 82 LEU CA . 31069 1 613 . 1 . 1 82 82 LEU CB C 13 42.650 0.05 . . . . . . A 82 LEU CB . 31069 1 614 . 1 . 1 82 82 LEU CD1 C 13 24.843 0.00 . . . . . . A 82 LEU CD1 . 31069 1 615 . 1 . 1 82 82 LEU CD2 C 13 26.769 0.00 . . . . . . A 82 LEU CD2 . 31069 1 616 . 1 . 1 82 82 LEU N N 15 121.111 0.00 . . . . . . A 82 LEU N . 31069 1 617 . 1 . 1 83 83 GLN H H 1 8.533 0.00 . . . . . . A 83 GLN H . 31069 1 618 . 1 . 1 83 83 GLN C C 13 177.870 0.00 . . . . . . A 83 GLN C . 31069 1 619 . 1 . 1 83 83 GLN CA C 13 59.314 0.02 . . . . . . A 83 GLN CA . 31069 1 620 . 1 . 1 83 83 GLN CB C 13 28.445 0.04 . . . . . . A 83 GLN CB . 31069 1 621 . 1 . 1 83 83 GLN N N 15 118.920 0.00 . . . . . . A 83 GLN N . 31069 1 622 . 1 . 1 84 84 GLN H H 1 7.978 0.00 . . . . . . A 84 GLN H . 31069 1 623 . 1 . 1 84 84 GLN C C 13 178.236 0.05 . . . . . . A 84 GLN C . 31069 1 624 . 1 . 1 84 84 GLN CA C 13 59.326 0.03 . . . . . . A 84 GLN CA . 31069 1 625 . 1 . 1 84 84 GLN CB C 13 28.394 0.01 . . . . . . A 84 GLN CB . 31069 1 626 . 1 . 1 84 84 GLN N N 15 118.629 0.00 . . . . . . A 84 GLN N . 31069 1 627 . 1 . 1 85 85 ARG H H 1 7.583 0.00 . . . . . . A 85 ARG H . 31069 1 628 . 1 . 1 85 85 ARG C C 13 177.024 0.04 . . . . . . A 85 ARG C . 31069 1 629 . 1 . 1 85 85 ARG CA C 13 57.548 0.05 . . . . . . A 85 ARG CA . 31069 1 630 . 1 . 1 85 85 ARG CB C 13 28.367 0.02 . . . . . . A 85 ARG CB . 31069 1 631 . 1 . 1 85 85 ARG N N 15 120.776 0.00 . . . . . . A 85 ARG N . 31069 1 632 . 1 . 1 86 86 LEU H H 1 8.102 0.00 . . . . . . A 86 LEU H . 31069 1 633 . 1 . 1 86 86 LEU HD11 H 1 0.683 0.00 . . . . . . A 86 LEU HD11 . 31069 1 634 . 1 . 1 86 86 LEU HD12 H 1 0.683 0.00 . . . . . . A 86 LEU HD12 . 31069 1 635 . 1 . 1 86 86 LEU HD13 H 1 0.683 0.00 . . . . . . A 86 LEU HD13 . 31069 1 636 . 1 . 1 86 86 LEU HD21 H 1 0.665 0.00 . . . . . . A 86 LEU HD21 . 31069 1 637 . 1 . 1 86 86 LEU HD22 H 1 0.665 0.00 . . . . . . A 86 LEU HD22 . 31069 1 638 . 1 . 1 86 86 LEU HD23 H 1 0.665 0.00 . . . . . . A 86 LEU HD23 . 31069 1 639 . 1 . 1 86 86 LEU C C 13 179.296 0.02 . . . . . . A 86 LEU C . 31069 1 640 . 1 . 1 86 86 LEU CA C 13 58.094 0.07 . . . . . . A 86 LEU CA . 31069 1 641 . 1 . 1 86 86 LEU CB C 13 41.106 0.07 . . . . . . A 86 LEU CB . 31069 1 642 . 1 . 1 86 86 LEU CD1 C 13 25.599 0.00 . . . . . . A 86 LEU CD1 . 31069 1 643 . 1 . 1 86 86 LEU CD2 C 13 23.954 0.00 . . . . . . A 86 LEU CD2 . 31069 1 644 . 1 . 1 86 86 LEU N N 15 120.374 0.00 . . . . . . A 86 LEU N . 31069 1 645 . 1 . 1 87 87 ASP H H 1 8.384 0.00 . . . . . . A 87 ASP H . 31069 1 646 . 1 . 1 87 87 ASP C C 13 179.178 0.00 . . . . . . A 87 ASP C . 31069 1 647 . 1 . 1 87 87 ASP CA C 13 57.966 0.04 . . . . . . A 87 ASP CA . 31069 1 648 . 1 . 1 87 87 ASP CB C 13 39.972 0.09 . . . . . . A 87 ASP CB . 31069 1 649 . 1 . 1 87 87 ASP N N 15 120.842 0.00 . . . . . . A 87 ASP N . 31069 1 650 . 1 . 1 88 88 GLU H H 1 7.928 0.00 . . . . . . A 88 GLU H . 31069 1 651 . 1 . 1 88 88 GLU C C 13 179.498 0.04 . . . . . . A 88 GLU C . 31069 1 652 . 1 . 1 88 88 GLU CA C 13 59.463 0.04 . . . . . . A 88 GLU CA . 31069 1 653 . 1 . 1 88 88 GLU CB C 13 29.291 0.05 . . . . . . A 88 GLU CB . 31069 1 654 . 1 . 1 88 88 GLU N N 15 121.663 0.00 . . . . . . A 88 GLU N . 31069 1 655 . 1 . 1 89 89 LEU H H 1 8.152 0.00 . . . . . . A 89 LEU H . 31069 1 656 . 1 . 1 89 89 LEU HD11 H 1 0.171 0.00 . . . . . . A 89 LEU HD11 . 31069 1 657 . 1 . 1 89 89 LEU HD12 H 1 0.171 0.00 . . . . . . A 89 LEU HD12 . 31069 1 658 . 1 . 1 89 89 LEU HD13 H 1 0.171 0.00 . . . . . . A 89 LEU HD13 . 31069 1 659 . 1 . 1 89 89 LEU HD21 H 1 0.584 0.00 . . . . . . A 89 LEU HD21 . 31069 1 660 . 1 . 1 89 89 LEU HD22 H 1 0.584 0.00 . . . . . . A 89 LEU HD22 . 31069 1 661 . 1 . 1 89 89 LEU HD23 H 1 0.584 0.00 . . . . . . A 89 LEU HD23 . 31069 1 662 . 1 . 1 89 89 LEU C C 13 179.301 0.04 . . . . . . A 89 LEU C . 31069 1 663 . 1 . 1 89 89 LEU CA C 13 57.660 0.02 . . . . . . A 89 LEU CA . 31069 1 664 . 1 . 1 89 89 LEU CB C 13 41.230 0.04 . . . . . . A 89 LEU CB . 31069 1 665 . 1 . 1 89 89 LEU CD1 C 13 25.178 0.00 . . . . . . A 89 LEU CD1 . 31069 1 666 . 1 . 1 89 89 LEU CD2 C 13 22.127 0.00 . . . . . . A 89 LEU CD2 . 31069 1 667 . 1 . 1 89 89 LEU N N 15 119.782 0.00 . . . . . . A 89 LEU N . 31069 1 668 . 1 . 1 90 90 SER H H 1 8.229 0.00 . . . . . . A 90 SER H . 31069 1 669 . 1 . 1 90 90 SER C C 13 175.799 0.06 . . . . . . A 90 SER C . 31069 1 670 . 1 . 1 90 90 SER CA C 13 61.371 0.08 . . . . . . A 90 SER CA . 31069 1 671 . 1 . 1 90 90 SER CB C 13 63.315 0.00 . . . . . . A 90 SER CB . 31069 1 672 . 1 . 1 90 90 SER N N 15 113.435 0.00 . . . . . . A 90 SER N . 31069 1 673 . 1 . 1 91 91 SER H H 1 7.686 0.00 . . . . . . A 91 SER H . 31069 1 674 . 1 . 1 91 91 SER C C 13 175.261 0.05 . . . . . . A 91 SER C . 31069 1 675 . 1 . 1 91 91 SER CA C 13 60.612 0.09 . . . . . . A 91 SER CA . 31069 1 676 . 1 . 1 91 91 SER CB C 13 63.532 0.04 . . . . . . A 91 SER CB . 31069 1 677 . 1 . 1 91 91 SER N N 15 116.276 0.00 . . . . . . A 91 SER N . 31069 1 678 . 1 . 1 92 92 LEU H H 1 7.744 0.00 . . . . . . A 92 LEU H . 31069 1 679 . 1 . 1 92 92 LEU HD11 H 1 0.915 0.00 . . . . . . A 92 LEU HD11 . 31069 1 680 . 1 . 1 92 92 LEU HD12 H 1 0.915 0.00 . . . . . . A 92 LEU HD12 . 31069 1 681 . 1 . 1 92 92 LEU HD13 H 1 0.915 0.00 . . . . . . A 92 LEU HD13 . 31069 1 682 . 1 . 1 92 92 LEU HD21 H 1 0.868 0.00 . . . . . . A 92 LEU HD21 . 31069 1 683 . 1 . 1 92 92 LEU HD22 H 1 0.868 0.00 . . . . . . A 92 LEU HD22 . 31069 1 684 . 1 . 1 92 92 LEU HD23 H 1 0.868 0.00 . . . . . . A 92 LEU HD23 . 31069 1 685 . 1 . 1 92 92 LEU C C 13 178.184 0.06 . . . . . . A 92 LEU C . 31069 1 686 . 1 . 1 92 92 LEU CA C 13 56.782 0.01 . . . . . . A 92 LEU CA . 31069 1 687 . 1 . 1 92 92 LEU CB C 13 42.044 0.09 . . . . . . A 92 LEU CB . 31069 1 688 . 1 . 1 92 92 LEU CD1 C 13 25.009 0.00 . . . . . . A 92 LEU CD1 . 31069 1 689 . 1 . 1 92 92 LEU CD2 C 13 23.202 0.00 . . . . . . A 92 LEU CD2 . 31069 1 690 . 1 . 1 92 92 LEU N N 15 121.925 0.00 . . . . . . A 92 LEU N . 31069 1 691 . 1 . 1 93 93 ILE H H 1 7.795 0.00 . . . . . . A 93 ILE H . 31069 1 692 . 1 . 1 93 93 ILE HD11 H 1 0.798 0.00 . . . . . . A 93 ILE HD11 . 31069 1 693 . 1 . 1 93 93 ILE HD12 H 1 0.798 0.00 . . . . . . A 93 ILE HD12 . 31069 1 694 . 1 . 1 93 93 ILE HD13 H 1 0.798 0.00 . . . . . . A 93 ILE HD13 . 31069 1 695 . 1 . 1 93 93 ILE C C 13 177.055 0.02 . . . . . . A 93 ILE C . 31069 1 696 . 1 . 1 93 93 ILE CA C 13 62.538 0.07 . . . . . . A 93 ILE CA . 31069 1 697 . 1 . 1 93 93 ILE CB C 13 38.231 0.00 . . . . . . A 93 ILE CB . 31069 1 698 . 1 . 1 93 93 ILE CD1 C 13 13.026 0.00 . . . . . . A 93 ILE CD1 . 31069 1 699 . 1 . 1 93 93 ILE N N 15 118.112 0.00 . . . . . . A 93 ILE N . 31069 1 700 . 1 . 1 94 94 GLY H H 1 8.161 0.00 . . . . . . A 94 GLY H . 31069 1 701 . 1 . 1 94 94 GLY C C 13 174.246 0.05 . . . . . . A 94 GLY C . 31069 1 702 . 1 . 1 94 94 GLY CA C 13 45.941 0.01 . . . . . . A 94 GLY CA . 31069 1 703 . 1 . 1 94 94 GLY N N 15 110.319 0.00 . . . . . . A 94 GLY N . 31069 1 704 . 1 . 1 95 95 GLN H H 1 8.006 0.00 . . . . . . A 95 GLN H . 31069 1 705 . 1 . 1 95 95 GLN C C 13 176.041 0.07 . . . . . . A 95 GLN C . 31069 1 706 . 1 . 1 95 95 GLN CA C 13 56.538 0.04 . . . . . . A 95 GLN CA . 31069 1 707 . 1 . 1 95 95 GLN CB C 13 29.426 0.04 . . . . . . A 95 GLN CB . 31069 1 708 . 1 . 1 95 95 GLN N N 15 119.121 0.00 . . . . . . A 95 GLN N . 31069 1 709 . 1 . 1 96 96 VAL H H 1 7.991 0.00 . . . . . . A 96 VAL H . 31069 1 710 . 1 . 1 96 96 VAL HG11 H 1 0.905 0.00 . . . . . . A 96 VAL HG11 . 31069 1 711 . 1 . 1 96 96 VAL HG12 H 1 0.905 0.00 . . . . . . A 96 VAL HG12 . 31069 1 712 . 1 . 1 96 96 VAL HG13 H 1 0.905 0.00 . . . . . . A 96 VAL HG13 . 31069 1 713 . 1 . 1 96 96 VAL HG21 H 1 0.845 0.00 . . . . . . A 96 VAL HG21 . 31069 1 714 . 1 . 1 96 96 VAL HG22 H 1 0.845 0.00 . . . . . . A 96 VAL HG22 . 31069 1 715 . 1 . 1 96 96 VAL HG23 H 1 0.845 0.00 . . . . . . A 96 VAL HG23 . 31069 1 716 . 1 . 1 96 96 VAL C C 13 176.038 0.03 . . . . . . A 96 VAL C . 31069 1 717 . 1 . 1 96 96 VAL CA C 13 63.227 0.09 . . . . . . A 96 VAL CA . 31069 1 718 . 1 . 1 96 96 VAL CB C 13 32.343 0.01 . . . . . . A 96 VAL CB . 31069 1 719 . 1 . 1 96 96 VAL CG1 C 13 20.706 0.00 . . . . . . A 96 VAL CG1 . 31069 1 720 . 1 . 1 96 96 VAL CG2 C 13 21.178 0.00 . . . . . . A 96 VAL CG2 . 31069 1 721 . 1 . 1 96 96 VAL N N 15 120.004 0.00 . . . . . . A 96 VAL N . 31069 1 722 . 1 . 1 97 97 LEU H H 1 8.082 0.00 . . . . . . A 97 LEU H . 31069 1 723 . 1 . 1 97 97 LEU HD11 H 1 0.826 0.00 . . . . . . A 97 LEU HD11 . 31069 1 724 . 1 . 1 97 97 LEU HD12 H 1 0.826 0.00 . . . . . . A 97 LEU HD12 . 31069 1 725 . 1 . 1 97 97 LEU HD13 H 1 0.826 0.00 . . . . . . A 97 LEU HD13 . 31069 1 726 . 1 . 1 97 97 LEU HD21 H 1 0.759 0.00 . . . . . . A 97 LEU HD21 . 31069 1 727 . 1 . 1 97 97 LEU HD22 H 1 0.759 0.00 . . . . . . A 97 LEU HD22 . 31069 1 728 . 1 . 1 97 97 LEU HD23 H 1 0.759 0.00 . . . . . . A 97 LEU HD23 . 31069 1 729 . 1 . 1 97 97 LEU C C 13 176.883 0.01 . . . . . . A 97 LEU C . 31069 1 730 . 1 . 1 97 97 LEU CA C 13 55.519 0.10 . . . . . . A 97 LEU CA . 31069 1 731 . 1 . 1 97 97 LEU CB C 13 42.148 0.03 . . . . . . A 97 LEU CB . 31069 1 732 . 1 . 1 97 97 LEU CD1 C 13 24.808 0.00 . . . . . . A 97 LEU CD1 . 31069 1 733 . 1 . 1 97 97 LEU CD2 C 13 23.415 0.00 . . . . . . A 97 LEU CD2 . 31069 1 734 . 1 . 1 97 97 LEU N N 15 123.949 0.00 . . . . . . A 97 LEU N . 31069 1 735 . 1 . 1 98 98 PHE H H 1 8.084 0.00 . . . . . . A 98 PHE H . 31069 1 736 . 1 . 1 98 98 PHE HD1 H 1 7.230 0.00 . . . . . . A 98 PHE HD1 . 31069 1 737 . 1 . 1 98 98 PHE HD2 H 1 7.230 0.00 . . . . . . A 98 PHE HD2 . 31069 1 738 . 1 . 1 98 98 PHE HE1 H 1 7.308 0.00 . . . . . . A 98 PHE HE1 . 31069 1 739 . 1 . 1 98 98 PHE HE2 H 1 7.308 0.00 . . . . . . A 98 PHE HE2 . 31069 1 740 . 1 . 1 98 98 PHE HZ H 1 7.248 0.00 . . . . . . A 98 PHE HZ . 31069 1 741 . 1 . 1 98 98 PHE C C 13 175.408 0.00 . . . . . . A 98 PHE C . 31069 1 742 . 1 . 1 98 98 PHE CA C 13 58.159 0.03 . . . . . . A 98 PHE CA . 31069 1 743 . 1 . 1 98 98 PHE CB C 13 39.346 0.09 . . . . . . A 98 PHE CB . 31069 1 744 . 1 . 1 98 98 PHE CD1 C 13 131.981 0.00 . . . . . . A 98 PHE CD1 . 31069 1 745 . 1 . 1 98 98 PHE CD2 C 13 131.981 0.00 . . . . . . A 98 PHE CD2 . 31069 1 746 . 1 . 1 98 98 PHE CE1 C 13 131.372 0.00 . . . . . . A 98 PHE CE1 . 31069 1 747 . 1 . 1 98 98 PHE CE2 C 13 131.372 0.00 . . . . . . A 98 PHE CE2 . 31069 1 748 . 1 . 1 98 98 PHE CZ C 13 129.776 0.00 . . . . . . A 98 PHE CZ . 31069 1 749 . 1 . 1 98 98 PHE N N 15 119.997 0.00 . . . . . . A 98 PHE N . 31069 1 750 . 1 . 1 99 99 GLN H H 1 8.175 0.00 . . . . . . A 99 GLN H . 31069 1 751 . 1 . 1 99 99 GLN C C 13 175.701 0.01 . . . . . . A 99 GLN C . 31069 1 752 . 1 . 1 99 99 GLN CA C 13 55.898 0.03 . . . . . . A 99 GLN CA . 31069 1 753 . 1 . 1 99 99 GLN CB C 13 29.800 0.05 . . . . . . A 99 GLN CB . 31069 1 754 . 1 . 1 99 99 GLN N N 15 121.284 0.00 . . . . . . A 99 GLN N . 31069 1 755 . 1 . 1 100 100 GLY H H 1 7.887 0.00 . . . . . . A 100 GLY H . 31069 1 756 . 1 . 1 100 100 GLY C C 13 171.963 0.00 . . . . . . A 100 GLY C . 31069 1 757 . 1 . 1 100 100 GLY CA C 13 44.887 0.00 . . . . . . A 100 GLY CA . 31069 1 758 . 1 . 1 100 100 GLY N N 15 109.419 0.00 . . . . . . A 100 GLY N . 31069 1 759 . 1 . 1 102 102 SER H H 1 8.347 0.00 . . . . . . A 102 SER H . 31069 1 760 . 1 . 1 102 102 SER C C 13 174.514 0.00 . . . . . . A 102 SER C . 31069 1 761 . 1 . 1 102 102 SER CA C 13 58.773 0.14 . . . . . . A 102 SER CA . 31069 1 762 . 1 . 1 102 102 SER CB C 13 63.725 0.14 . . . . . . A 102 SER CB . 31069 1 763 . 1 . 1 102 102 SER N N 15 115.225 0.00 . . . . . . A 102 SER N . 31069 1 764 . 1 . 1 103 103 ALA H H 1 8.162 0.00 . . . . . . A 103 ALA H . 31069 1 765 . 1 . 1 103 103 ALA HB1 H 1 1.383 0.00 . . . . . . A 103 ALA HB1 . 31069 1 766 . 1 . 1 103 103 ALA HB2 H 1 1.383 0.00 . . . . . . A 103 ALA HB2 . 31069 1 767 . 1 . 1 103 103 ALA HB3 H 1 1.383 0.00 . . . . . . A 103 ALA HB3 . 31069 1 768 . 1 . 1 103 103 ALA C C 13 177.985 0.06 . . . . . . A 103 ALA C . 31069 1 769 . 1 . 1 103 103 ALA CA C 13 53.216 0.02 . . . . . . A 103 ALA CA . 31069 1 770 . 1 . 1 103 103 ALA CB C 13 19.037 0.07 . . . . . . A 103 ALA CB . 31069 1 771 . 1 . 1 103 103 ALA N N 15 125.142 0.00 . . . . . . A 103 ALA N . 31069 1 772 . 1 . 1 104 104 GLY H H 1 8.217 0.00 . . . . . . A 104 GLY H . 31069 1 773 . 1 . 1 104 104 GLY C C 13 173.826 0.01 . . . . . . A 104 GLY C . 31069 1 774 . 1 . 1 104 104 GLY CA C 13 45.509 0.02 . . . . . . A 104 GLY CA . 31069 1 775 . 1 . 1 104 104 GLY N N 15 107.112 0.00 . . . . . . A 104 GLY N . 31069 1 776 . 1 . 1 105 105 LEU H H 1 7.954 0.00 . . . . . . A 105 LEU H . 31069 1 777 . 1 . 1 105 105 LEU C C 13 177.036 0.03 . . . . . . A 105 LEU C . 31069 1 778 . 1 . 1 105 105 LEU CA C 13 55.489 0.01 . . . . . . A 105 LEU CA . 31069 1 779 . 1 . 1 105 105 LEU CB C 13 42.076 0.10 . . . . . . A 105 LEU CB . 31069 1 780 . 1 . 1 105 105 LEU N N 15 121.189 0.00 . . . . . . A 105 LEU N . 31069 1 781 . 1 . 1 106 106 VAL H H 1 8.002 0.00 . . . . . . A 106 VAL H . 31069 1 782 . 1 . 1 106 106 VAL HG11 H 1 0.834 0.00 . . . . . . A 106 VAL HG11 . 31069 1 783 . 1 . 1 106 106 VAL HG12 H 1 0.834 0.00 . . . . . . A 106 VAL HG12 . 31069 1 784 . 1 . 1 106 106 VAL HG13 H 1 0.834 0.00 . . . . . . A 106 VAL HG13 . 31069 1 785 . 1 . 1 106 106 VAL HG21 H 1 0.912 0.00 . . . . . . A 106 VAL HG21 . 31069 1 786 . 1 . 1 106 106 VAL HG22 H 1 0.912 0.00 . . . . . . A 106 VAL HG22 . 31069 1 787 . 1 . 1 106 106 VAL HG23 H 1 0.912 0.00 . . . . . . A 106 VAL HG23 . 31069 1 788 . 1 . 1 106 106 VAL C C 13 174.379 0.00 . . . . . . A 106 VAL C . 31069 1 789 . 1 . 1 106 106 VAL CA C 13 60.104 0.00 . . . . . . A 106 VAL CA . 31069 1 790 . 1 . 1 106 106 VAL CB C 13 32.438 0.00 . . . . . . A 106 VAL CB . 31069 1 791 . 1 . 1 106 106 VAL CG1 C 13 21.033 0.00 . . . . . . A 106 VAL CG1 . 31069 1 792 . 1 . 1 106 106 VAL CG2 C 13 20.271 0.00 . . . . . . A 106 VAL CG2 . 31069 1 793 . 1 . 1 106 106 VAL N N 15 121.397 0.00 . . . . . . A 106 VAL N . 31069 1 794 . 1 . 1 107 107 PRO CA C 13 63.513 0.00 . . . . . . A 107 PRO CA . 31069 1 795 . 1 . 1 107 107 PRO CB C 13 31.640 0.00 . . . . . . A 107 PRO CB . 31069 1 796 . 1 . 1 108 108 ARG H H 1 8.418 0.00 . . . . . . A 108 ARG H . 31069 1 797 . 1 . 1 108 108 ARG CA C 13 56.638 0.00 . . . . . . A 108 ARG CA . 31069 1 798 . 1 . 1 108 108 ARG CB C 13 30.688 0.00 . . . . . . A 108 ARG CB . 31069 1 799 . 1 . 1 108 108 ARG N N 15 121.528 0.00 . . . . . . A 108 ARG N . 31069 1 800 . 1 . 1 111 111 GLY C C 13 174.581 0.00 . . . . . . A 111 GLY C . 31069 1 801 . 1 . 1 112 112 GLY H H 1 8.228 0.00 . . . . . . A 112 GLY H . 31069 1 802 . 1 . 1 112 112 GLY C C 13 174.180 0.01 . . . . . . A 112 GLY C . 31069 1 803 . 1 . 1 112 112 GLY CA C 13 45.456 0.06 . . . . . . A 112 GLY CA . 31069 1 804 . 1 . 1 112 112 GLY N N 15 108.590 0.00 . . . . . . A 112 GLY N . 31069 1 805 . 1 . 1 113 113 ILE H H 1 8.034 0.00 . . . . . . A 113 ILE H . 31069 1 806 . 1 . 1 113 113 ILE HD11 H 1 0.792 0.00 . . . . . . A 113 ILE HD11 . 31069 1 807 . 1 . 1 113 113 ILE HD12 H 1 0.792 0.00 . . . . . . A 113 ILE HD12 . 31069 1 808 . 1 . 1 113 113 ILE HD13 H 1 0.792 0.00 . . . . . . A 113 ILE HD13 . 31069 1 809 . 1 . 1 113 113 ILE C C 13 176.600 0.04 . . . . . . A 113 ILE C . 31069 1 810 . 1 . 1 113 113 ILE CA C 13 61.808 0.09 . . . . . . A 113 ILE CA . 31069 1 811 . 1 . 1 113 113 ILE CB C 13 38.489 0.10 . . . . . . A 113 ILE CB . 31069 1 812 . 1 . 1 113 113 ILE CD1 C 13 12.485 0.00 . . . . . . A 113 ILE CD1 . 31069 1 813 . 1 . 1 113 113 ILE N N 15 119.808 0.00 . . . . . . A 113 ILE N . 31069 1 814 . 1 . 1 114 114 GLU H H 1 8.595 0.00 . . . . . . A 114 GLU H . 31069 1 815 . 1 . 1 114 114 GLU C C 13 177.005 0.01 . . . . . . A 114 GLU C . 31069 1 816 . 1 . 1 114 114 GLU CA C 13 57.462 0.04 . . . . . . A 114 GLU CA . 31069 1 817 . 1 . 1 114 114 GLU CB C 13 29.894 0.01 . . . . . . A 114 GLU CB . 31069 1 818 . 1 . 1 114 114 GLU N N 15 124.617 0.00 . . . . . . A 114 GLU N . 31069 1 819 . 1 . 1 115 115 GLY H H 1 8.378 0.00 . . . . . . A 115 GLY H . 31069 1 820 . 1 . 1 115 115 GLY C C 13 174.259 0.02 . . . . . . A 115 GLY C . 31069 1 821 . 1 . 1 115 115 GLY CA C 13 45.747 0.03 . . . . . . A 115 GLY CA . 31069 1 822 . 1 . 1 115 115 GLY N N 15 109.966 0.00 . . . . . . A 115 GLY N . 31069 1 823 . 1 . 1 116 116 SER H H 1 8.145 0.00 . . . . . . A 116 SER H . 31069 1 824 . 1 . 1 116 116 SER CA C 13 58.841 0.00 . . . . . . A 116 SER CA . 31069 1 825 . 1 . 1 116 116 SER CB C 13 64.074 0.00 . . . . . . A 116 SER CB . 31069 1 826 . 1 . 1 116 116 SER N N 15 115.160 0.00 . . . . . . A 116 SER N . 31069 1 827 . 1 . 1 117 117 ASN CA C 13 53.889 0.00 . . . . . . A 117 ASN CA . 31069 1 828 . 1 . 1 117 117 ASN CB C 13 38.887 0.00 . . . . . . A 117 ASN CB . 31069 1 829 . 1 . 1 118 118 LEU H H 1 8.137 0.00 . . . . . . A 118 LEU H . 31069 1 830 . 1 . 1 118 118 LEU C C 13 177.132 0.02 . . . . . . A 118 LEU C . 31069 1 831 . 1 . 1 118 118 LEU CA C 13 55.770 0.03 . . . . . . A 118 LEU CA . 31069 1 832 . 1 . 1 118 118 LEU CB C 13 41.944 0.03 . . . . . . A 118 LEU CB . 31069 1 833 . 1 . 1 118 118 LEU N N 15 121.570 0.00 . . . . . . A 118 LEU N . 31069 1 834 . 1 . 1 119 119 ASN H H 1 8.378 0.00 . . . . . . A 119 ASN H . 31069 1 835 . 1 . 1 119 119 ASN C C 13 175.482 0.02 . . . . . . A 119 ASN C . 31069 1 836 . 1 . 1 119 119 ASN CA C 13 53.903 0.02 . . . . . . A 119 ASN CA . 31069 1 837 . 1 . 1 119 119 ASN CB C 13 38.910 0.03 . . . . . . A 119 ASN CB . 31069 1 838 . 1 . 1 119 119 ASN N N 15 118.795 0.00 . . . . . . A 119 ASN N . 31069 1 839 . 1 . 1 120 120 THR H H 1 8.044 0.00 . . . . . . A 120 THR H . 31069 1 840 . 1 . 1 120 120 THR HG21 H 1 1.174 0.00 . . . . . . A 120 THR HG21 . 31069 1 841 . 1 . 1 120 120 THR HG22 H 1 1.174 0.00 . . . . . . A 120 THR HG22 . 31069 1 842 . 1 . 1 120 120 THR HG23 H 1 1.174 0.00 . . . . . . A 120 THR HG23 . 31069 1 843 . 1 . 1 120 120 THR C C 13 174.384 0.03 . . . . . . A 120 THR C . 31069 1 844 . 1 . 1 120 120 THR CA C 13 62.404 0.02 . . . . . . A 120 THR CA . 31069 1 845 . 1 . 1 120 120 THR CB C 13 69.947 0.06 . . . . . . A 120 THR CB . 31069 1 846 . 1 . 1 120 120 THR CG2 C 13 21.502 0.00 . . . . . . A 120 THR CG2 . 31069 1 847 . 1 . 1 120 120 THR N N 15 113.609 0.00 . . . . . . A 120 THR N . 31069 1 848 . 1 . 1 121 121 ASP H H 1 8.329 0.00 . . . . . . A 121 ASP H . 31069 1 849 . 1 . 1 121 121 ASP C C 13 176.440 0.06 . . . . . . A 121 ASP C . 31069 1 850 . 1 . 1 121 121 ASP CA C 13 55.152 0.05 . . . . . . A 121 ASP CA . 31069 1 851 . 1 . 1 121 121 ASP CB C 13 41.127 0.01 . . . . . . A 121 ASP CB . 31069 1 852 . 1 . 1 121 121 ASP N N 15 122.299 0.00 . . . . . . A 121 ASP N . 31069 1 853 . 1 . 1 122 122 MET H H 1 8.308 0.00 . . . . . . A 122 MET H . 31069 1 854 . 1 . 1 122 122 MET C C 13 176.953 0.06 . . . . . . A 122 MET C . 31069 1 855 . 1 . 1 122 122 MET CA C 13 56.205 0.01 . . . . . . A 122 MET CA . 31069 1 856 . 1 . 1 122 122 MET CB C 13 32.407 0.01 . . . . . . A 122 MET CB . 31069 1 857 . 1 . 1 122 122 MET N N 15 120.502 0.00 . . . . . . A 122 MET N . 31069 1 858 . 1 . 1 123 123 GLY H H 1 8.412 0.00 . . . . . . A 123 GLY H . 31069 1 859 . 1 . 1 123 123 GLY C C 13 174.199 0.01 . . . . . . A 123 GLY C . 31069 1 860 . 1 . 1 123 123 GLY CA C 13 45.966 0.02 . . . . . . A 123 GLY CA . 31069 1 861 . 1 . 1 123 123 GLY N N 15 108.889 0.00 . . . . . . A 123 GLY N . 31069 1 862 . 1 . 1 124 124 ASN H H 1 8.273 0.00 . . . . . . A 124 ASN H . 31069 1 863 . 1 . 1 124 124 ASN CA C 13 53.914 0.00 . . . . . . A 124 ASN CA . 31069 1 864 . 1 . 1 124 124 ASN CB C 13 38.961 0.00 . . . . . . A 124 ASN CB . 31069 1 865 . 1 . 1 124 124 ASN N N 15 118.265 0.00 . . . . . . A 124 ASN N . 31069 1 866 . 1 . 1 125 125 GLY C C 13 174.277 0.01 . . . . . . A 125 GLY C . 31069 1 867 . 1 . 1 125 125 GLY CA C 13 45.859 0.00 . . . . . . A 125 GLY CA . 31069 1 868 . 1 . 1 126 126 ILE H H 1 7.931 0.00 . . . . . . A 126 ILE H . 31069 1 869 . 1 . 1 126 126 ILE HD11 H 1 0.834 0.00 . . . . . . A 126 ILE HD11 . 31069 1 870 . 1 . 1 126 126 ILE HD12 H 1 0.834 0.00 . . . . . . A 126 ILE HD12 . 31069 1 871 . 1 . 1 126 126 ILE HD13 H 1 0.834 0.00 . . . . . . A 126 ILE HD13 . 31069 1 872 . 1 . 1 126 126 ILE C C 13 176.392 0.06 . . . . . . A 126 ILE C . 31069 1 873 . 1 . 1 126 126 ILE CA C 13 61.832 0.01 . . . . . . A 126 ILE CA . 31069 1 874 . 1 . 1 126 126 ILE CB C 13 38.203 0.01 . . . . . . A 126 ILE CB . 31069 1 875 . 1 . 1 126 126 ILE CD1 C 13 12.875 0.00 . . . . . . A 126 ILE CD1 . 31069 1 876 . 1 . 1 126 126 ILE N N 15 119.929 0.00 . . . . . . A 126 ILE N . 31069 1 877 . 1 . 1 127 127 ALA H H 1 8.361 0.00 . . . . . . A 127 ALA H . 31069 1 878 . 1 . 1 127 127 ALA HB1 H 1 1.416 0.00 . . . . . . A 127 ALA HB1 . 31069 1 879 . 1 . 1 127 127 ALA HB2 H 1 1.416 0.00 . . . . . . A 127 ALA HB2 . 31069 1 880 . 1 . 1 127 127 ALA HB3 H 1 1.416 0.00 . . . . . . A 127 ALA HB3 . 31069 1 881 . 1 . 1 127 127 ALA C C 13 178.212 0.04 . . . . . . A 127 ALA C . 31069 1 882 . 1 . 1 127 127 ALA CA C 13 53.483 0.03 . . . . . . A 127 ALA CA . 31069 1 883 . 1 . 1 127 127 ALA CB C 13 18.965 0.07 . . . . . . A 127 ALA CB . 31069 1 884 . 1 . 1 127 127 ALA N N 15 126.722 0.00 . . . . . . A 127 ALA N . 31069 1 885 . 1 . 1 128 128 SER H H 1 8.144 0.00 . . . . . . A 128 SER H . 31069 1 886 . 1 . 1 128 128 SER C C 13 174.847 0.00 . . . . . . A 128 SER C . 31069 1 887 . 1 . 1 128 128 SER CA C 13 59.503 0.00 . . . . . . A 128 SER CA . 31069 1 888 . 1 . 1 128 128 SER CB C 13 63.633 0.00 . . . . . . A 128 SER CB . 31069 1 889 . 1 . 1 128 128 SER N N 15 113.518 0.00 . . . . . . A 128 SER N . 31069 1 890 . 1 . 1 129 129 ASN C C 13 176.306 0.01 . . . . . . A 129 ASN C . 31069 1 891 . 1 . 1 129 129 ASN CA C 13 55.282 0.09 . . . . . . A 129 ASN CA . 31069 1 892 . 1 . 1 129 129 ASN CB C 13 41.194 0.03 . . . . . . A 129 ASN CB . 31069 1 893 . 1 . 1 130 130 ARG H H 1 8.227 0.00 . . . . . . A 130 ARG H . 31069 1 894 . 1 . 1 130 130 ARG C C 13 176.745 0.02 . . . . . . A 130 ARG C . 31069 1 895 . 1 . 1 130 130 ARG CA C 13 57.587 0.08 . . . . . . A 130 ARG CA . 31069 1 896 . 1 . 1 130 130 ARG CB C 13 29.828 0.12 . . . . . . A 130 ARG CB . 31069 1 897 . 1 . 1 130 130 ARG N N 15 120.038 0.00 . . . . . . A 130 ARG N . 31069 1 898 . 1 . 1 131 131 TRP H H 1 8.114 0.00 . . . . . . A 131 TRP H . 31069 1 899 . 1 . 1 131 131 TRP HE1 H 1 9.999 0.00 . . . . . . A 131 TRP HE1 . 31069 1 900 . 1 . 1 131 131 TRP C C 13 178.035 0.07 . . . . . . A 131 TRP C . 31069 1 901 . 1 . 1 131 131 TRP CA C 13 59.391 0.05 . . . . . . A 131 TRP CA . 31069 1 902 . 1 . 1 131 131 TRP CB C 13 28.852 0.05 . . . . . . A 131 TRP CB . 31069 1 903 . 1 . 1 131 131 TRP N N 15 119.593 0.00 . . . . . . A 131 TRP N . 31069 1 904 . 1 . 1 131 131 TRP NE1 N 15 128.491 0.00 . . . . . . A 131 TRP NE1 . 31069 1 905 . 1 . 1 132 132 ILE H H 1 7.709 0.00 . . . . . . A 132 ILE H . 31069 1 906 . 1 . 1 132 132 ILE HD11 H 1 0.881 0.00 . . . . . . A 132 ILE HD11 . 31069 1 907 . 1 . 1 132 132 ILE HD12 H 1 0.881 0.00 . . . . . . A 132 ILE HD12 . 31069 1 908 . 1 . 1 132 132 ILE HD13 H 1 0.881 0.00 . . . . . . A 132 ILE HD13 . 31069 1 909 . 1 . 1 132 132 ILE C C 13 176.828 0.04 . . . . . . A 132 ILE C . 31069 1 910 . 1 . 1 132 132 ILE CA C 13 63.868 0.04 . . . . . . A 132 ILE CA . 31069 1 911 . 1 . 1 132 132 ILE CB C 13 37.840 0.00 . . . . . . A 132 ILE CB . 31069 1 912 . 1 . 1 132 132 ILE CD1 C 13 13.316 0.00 . . . . . . A 132 ILE CD1 . 31069 1 913 . 1 . 1 132 132 ILE N N 15 118.649 0.00 . . . . . . A 132 ILE N . 31069 1 914 . 1 . 1 133 133 ASN H H 1 8.188 0.00 . . . . . . A 133 ASN H . 31069 1 915 . 1 . 1 133 133 ASN C C 13 178.410 0.03 . . . . . . A 133 ASN C . 31069 1 916 . 1 . 1 133 133 ASN CA C 13 56.919 0.01 . . . . . . A 133 ASN CA . 31069 1 917 . 1 . 1 133 133 ASN CB C 13 37.931 0.00 . . . . . . A 133 ASN CB . 31069 1 918 . 1 . 1 133 133 ASN N N 15 118.716 0.00 . . . . . . A 133 ASN N . 31069 1 919 . 1 . 1 134 134 TYR H H 1 7.885 0.00 . . . . . . A 134 TYR H . 31069 1 920 . 1 . 1 134 134 TYR HD1 H 1 7.058 0.00 . . . . . . A 134 TYR HD1 . 31069 1 921 . 1 . 1 134 134 TYR HD2 H 1 7.058 0.00 . . . . . . A 134 TYR HD2 . 31069 1 922 . 1 . 1 134 134 TYR HE1 H 1 6.462 0.00 . . . . . . A 134 TYR HE1 . 31069 1 923 . 1 . 1 134 134 TYR HE2 H 1 6.462 0.00 . . . . . . A 134 TYR HE2 . 31069 1 924 . 1 . 1 134 134 TYR C C 13 177.557 0.01 . . . . . . A 134 TYR C . 31069 1 925 . 1 . 1 134 134 TYR CA C 13 63.341 0.02 . . . . . . A 134 TYR CA . 31069 1 926 . 1 . 1 134 134 TYR CB C 13 39.638 0.02 . . . . . . A 134 TYR CB . 31069 1 927 . 1 . 1 134 134 TYR CD1 C 13 132.466 0.00 . . . . . . A 134 TYR CD1 . 31069 1 928 . 1 . 1 134 134 TYR CD2 C 13 132.466 0.00 . . . . . . A 134 TYR CD2 . 31069 1 929 . 1 . 1 134 134 TYR CE1 C 13 118.766 0.00 . . . . . . A 134 TYR CE1 . 31069 1 930 . 1 . 1 134 134 TYR CE2 C 13 118.766 0.00 . . . . . . A 134 TYR CE2 . 31069 1 931 . 1 . 1 134 134 TYR N N 15 118.385 0.00 . . . . . . A 134 TYR N . 31069 1 932 . 1 . 1 135 135 GLN H H 1 7.928 0.00 . . . . . . A 135 GLN H . 31069 1 933 . 1 . 1 135 135 GLN C C 13 178.698 0.01 . . . . . . A 135 GLN C . 31069 1 934 . 1 . 1 135 135 GLN CA C 13 59.665 0.00 . . . . . . A 135 GLN CA . 31069 1 935 . 1 . 1 135 135 GLN CB C 13 28.523 0.00 . . . . . . A 135 GLN CB . 31069 1 936 . 1 . 1 135 135 GLN N N 15 117.455 0.00 . . . . . . A 135 GLN N . 31069 1 937 . 1 . 1 136 136 GLN H H 1 8.707 0.00 . . . . . . A 136 GLN H . 31069 1 938 . 1 . 1 136 136 GLN C C 13 177.851 0.01 . . . . . . A 136 GLN C . 31069 1 939 . 1 . 1 136 136 GLN CA C 13 59.477 0.00 . . . . . . A 136 GLN CA . 31069 1 940 . 1 . 1 136 136 GLN CB C 13 28.524 0.04 . . . . . . A 136 GLN CB . 31069 1 941 . 1 . 1 136 136 GLN N N 15 118.455 0.00 . . . . . . A 136 GLN N . 31069 1 942 . 1 . 1 137 137 PHE H H 1 7.863 0.00 . . . . . . A 137 PHE H . 31069 1 943 . 1 . 1 137 137 PHE HD1 H 1 7.450 0.00 . . . . . . A 137 PHE HD1 . 31069 1 944 . 1 . 1 137 137 PHE HD2 H 1 7.450 0.00 . . . . . . A 137 PHE HD2 . 31069 1 945 . 1 . 1 137 137 PHE HE1 H 1 7.140 0.00 . . . . . . A 137 PHE HE1 . 31069 1 946 . 1 . 1 137 137 PHE HE2 H 1 7.140 0.00 . . . . . . A 137 PHE HE2 . 31069 1 947 . 1 . 1 137 137 PHE HZ H 1 6.814 0.00 . . . . . . A 137 PHE HZ . 31069 1 948 . 1 . 1 137 137 PHE C C 13 179.498 0.05 . . . . . . A 137 PHE C . 31069 1 949 . 1 . 1 137 137 PHE CA C 13 59.305 0.16 . . . . . . A 137 PHE CA . 31069 1 950 . 1 . 1 137 137 PHE CB C 13 38.308 0.03 . . . . . . A 137 PHE CB . 31069 1 951 . 1 . 1 137 137 PHE CD1 C 13 131.139 0.00 . . . . . . A 137 PHE CD1 . 31069 1 952 . 1 . 1 137 137 PHE CD2 C 13 131.139 0.00 . . . . . . A 137 PHE CD2 . 31069 1 953 . 1 . 1 137 137 PHE CE1 C 13 130.255 0.00 . . . . . . A 137 PHE CE1 . 31069 1 954 . 1 . 1 137 137 PHE CE2 C 13 130.255 0.00 . . . . . . A 137 PHE CE2 . 31069 1 955 . 1 . 1 137 137 PHE CZ C 13 128.110 0.00 . . . . . . A 137 PHE CZ . 31069 1 956 . 1 . 1 137 137 PHE N N 15 121.714 0.00 . . . . . . A 137 PHE N . 31069 1 957 . 1 . 1 138 138 ILE H H 1 8.475 0.00 . . . . . . A 138 ILE H . 31069 1 958 . 1 . 1 138 138 ILE HD11 H 1 0.754 0.00 . . . . . . A 138 ILE HD11 . 31069 1 959 . 1 . 1 138 138 ILE HD12 H 1 0.754 0.00 . . . . . . A 138 ILE HD12 . 31069 1 960 . 1 . 1 138 138 ILE HD13 H 1 0.754 0.00 . . . . . . A 138 ILE HD13 . 31069 1 961 . 1 . 1 138 138 ILE C C 13 177.390 0.03 . . . . . . A 138 ILE C . 31069 1 962 . 1 . 1 138 138 ILE CA C 13 67.668 0.07 . . . . . . A 138 ILE CA . 31069 1 963 . 1 . 1 138 138 ILE CB C 13 38.084 0.08 . . . . . . A 138 ILE CB . 31069 1 964 . 1 . 1 138 138 ILE CD1 C 13 13.938 0.00 . . . . . . A 138 ILE CD1 . 31069 1 965 . 1 . 1 138 138 ILE N N 15 119.500 0.00 . . . . . . A 138 ILE N . 31069 1 966 . 1 . 1 139 139 GLN H H 1 8.064 0.00 . . . . . . A 139 GLN H . 31069 1 967 . 1 . 1 139 139 GLN C C 13 179.437 0.03 . . . . . . A 139 GLN C . 31069 1 968 . 1 . 1 139 139 GLN CA C 13 59.692 0.02 . . . . . . A 139 GLN CA . 31069 1 969 . 1 . 1 139 139 GLN CB C 13 28.084 0.01 . . . . . . A 139 GLN CB . 31069 1 970 . 1 . 1 139 139 GLN N N 15 118.798 0.00 . . . . . . A 139 GLN N . 31069 1 971 . 1 . 1 140 140 THR H H 1 8.700 0.00 . . . . . . A 140 THR H . 31069 1 972 . 1 . 1 140 140 THR C C 13 176.901 0.00 . . . . . . A 140 THR C . 31069 1 973 . 1 . 1 140 140 THR CA C 13 67.131 0.03 . . . . . . A 140 THR CA . 31069 1 974 . 1 . 1 140 140 THR CB C 13 68.347 0.02 . . . . . . A 140 THR CB . 31069 1 975 . 1 . 1 140 140 THR N N 15 120.326 0.00 . . . . . . A 140 THR N . 31069 1 976 . 1 . 1 141 141 LEU H H 1 8.595 0.00 . . . . . . A 141 LEU H . 31069 1 977 . 1 . 1 141 141 LEU HD11 H 1 0.675 0.00 . . . . . . A 141 LEU HD11 . 31069 1 978 . 1 . 1 141 141 LEU HD12 H 1 0.675 0.00 . . . . . . A 141 LEU HD12 . 31069 1 979 . 1 . 1 141 141 LEU HD13 H 1 0.675 0.00 . . . . . . A 141 LEU HD13 . 31069 1 980 . 1 . 1 141 141 LEU HD21 H 1 0.921 0.00 . . . . . . A 141 LEU HD21 . 31069 1 981 . 1 . 1 141 141 LEU HD22 H 1 0.921 0.00 . . . . . . A 141 LEU HD22 . 31069 1 982 . 1 . 1 141 141 LEU HD23 H 1 0.921 0.00 . . . . . . A 141 LEU HD23 . 31069 1 983 . 1 . 1 141 141 LEU C C 13 178.196 0.02 . . . . . . A 141 LEU C . 31069 1 984 . 1 . 1 141 141 LEU CA C 13 58.168 0.02 . . . . . . A 141 LEU CA . 31069 1 985 . 1 . 1 141 141 LEU CB C 13 41.609 0.06 . . . . . . A 141 LEU CB . 31069 1 986 . 1 . 1 141 141 LEU CD1 C 13 26.455 0.00 . . . . . . A 141 LEU CD1 . 31069 1 987 . 1 . 1 141 141 LEU CD2 C 13 22.920 0.00 . . . . . . A 141 LEU CD2 . 31069 1 988 . 1 . 1 141 141 LEU N N 15 121.629 0.00 . . . . . . A 141 LEU N . 31069 1 989 . 1 . 1 142 142 GLU H H 1 8.905 0.00 . . . . . . A 142 GLU H . 31069 1 990 . 1 . 1 142 142 GLU C C 13 179.704 0.01 . . . . . . A 142 GLU C . 31069 1 991 . 1 . 1 142 142 GLU CA C 13 60.545 0.00 . . . . . . A 142 GLU CA . 31069 1 992 . 1 . 1 142 142 GLU CB C 13 29.451 0.03 . . . . . . A 142 GLU CB . 31069 1 993 . 1 . 1 142 142 GLU N N 15 119.663 0.00 . . . . . . A 142 GLU N . 31069 1 994 . 1 . 1 143 143 LYS H H 1 7.669 0.00 . . . . . . A 143 LYS H . 31069 1 995 . 1 . 1 143 143 LYS C C 13 178.992 0.01 . . . . . . A 143 LYS C . 31069 1 996 . 1 . 1 143 143 LYS CA C 13 59.459 0.07 . . . . . . A 143 LYS CA . 31069 1 997 . 1 . 1 143 143 LYS CB C 13 31.822 0.00 . . . . . . A 143 LYS CB . 31069 1 998 . 1 . 1 143 143 LYS N N 15 118.711 0.00 . . . . . . A 143 LYS N . 31069 1 999 . 1 . 1 144 144 ALA H H 1 8.119 0.00 . . . . . . A 144 ALA H . 31069 1 1000 . 1 . 1 144 144 ALA HB1 H 1 1.448 0.00 . . . . . . A 144 ALA HB1 . 31069 1 1001 . 1 . 1 144 144 ALA HB2 H 1 1.448 0.00 . . . . . . A 144 ALA HB2 . 31069 1 1002 . 1 . 1 144 144 ALA HB3 H 1 1.448 0.00 . . . . . . A 144 ALA HB3 . 31069 1 1003 . 1 . 1 144 144 ALA C C 13 178.522 0.05 . . . . . . A 144 ALA C . 31069 1 1004 . 1 . 1 144 144 ALA CA C 13 55.573 0.03 . . . . . . A 144 ALA CA . 31069 1 1005 . 1 . 1 144 144 ALA CB C 13 18.551 0.08 . . . . . . A 144 ALA CB . 31069 1 1006 . 1 . 1 144 144 ALA N N 15 123.560 0.00 . . . . . . A 144 ALA N . 31069 1 1007 . 1 . 1 145 145 ILE H H 1 9.012 0.00 . . . . . . A 145 ILE H . 31069 1 1008 . 1 . 1 145 145 ILE HD11 H 1 0.782 0.00 . . . . . . A 145 ILE HD11 . 31069 1 1009 . 1 . 1 145 145 ILE HD12 H 1 0.782 0.00 . . . . . . A 145 ILE HD12 . 31069 1 1010 . 1 . 1 145 145 ILE HD13 H 1 0.782 0.00 . . . . . . A 145 ILE HD13 . 31069 1 1011 . 1 . 1 145 145 ILE C C 13 177.967 0.06 . . . . . . A 145 ILE C . 31069 1 1012 . 1 . 1 145 145 ILE CA C 13 66.080 0.04 . . . . . . A 145 ILE CA . 31069 1 1013 . 1 . 1 145 145 ILE CB C 13 38.416 0.02 . . . . . . A 145 ILE CB . 31069 1 1014 . 1 . 1 145 145 ILE CD1 C 13 14.283 0.00 . . . . . . A 145 ILE CD1 . 31069 1 1015 . 1 . 1 145 145 ILE N N 15 118.139 0.00 . . . . . . A 145 ILE N . 31069 1 1016 . 1 . 1 146 146 GLU H H 1 7.484 0.00 . . . . . . A 146 GLU H . 31069 1 1017 . 1 . 1 146 146 GLU C C 13 179.742 0.03 . . . . . . A 146 GLU C . 31069 1 1018 . 1 . 1 146 146 GLU CA C 13 59.898 0.00 . . . . . . A 146 GLU CA . 31069 1 1019 . 1 . 1 146 146 GLU CB C 13 29.281 0.09 . . . . . . A 146 GLU CB . 31069 1 1020 . 1 . 1 146 146 GLU N N 15 117.662 0.00 . . . . . . A 146 GLU N . 31069 1 1021 . 1 . 1 147 147 GLN H H 1 7.768 0.00 . . . . . . A 147 GLN H . 31069 1 1022 . 1 . 1 147 147 GLN C C 13 179.338 0.00 . . . . . . A 147 GLN C . 31069 1 1023 . 1 . 1 147 147 GLN CA C 13 59.169 0.06 . . . . . . A 147 GLN CA . 31069 1 1024 . 1 . 1 147 147 GLN CB C 13 28.268 0.01 . . . . . . A 147 GLN CB . 31069 1 1025 . 1 . 1 147 147 GLN N N 15 117.587 0.00 . . . . . . A 147 GLN N . 31069 1 1026 . 1 . 1 148 148 HIS H H 1 9.412 0.00 . . . . . . A 148 HIS H . 31069 1 1027 . 1 . 1 148 148 HIS C C 13 177.265 0.04 . . . . . . A 148 HIS C . 31069 1 1028 . 1 . 1 148 148 HIS CA C 13 58.269 0.03 . . . . . . A 148 HIS CA . 31069 1 1029 . 1 . 1 148 148 HIS CB C 13 30.062 0.04 . . . . . . A 148 HIS CB . 31069 1 1030 . 1 . 1 148 148 HIS N N 15 120.862 0.00 . . . . . . A 148 HIS N . 31069 1 1031 . 1 . 1 149 149 ARG H H 1 9.124 0.00 . . . . . . A 149 ARG H . 31069 1 1032 . 1 . 1 149 149 ARG C C 13 179.398 0.02 . . . . . . A 149 ARG C . 31069 1 1033 . 1 . 1 149 149 ARG CA C 13 60.650 0.05 . . . . . . A 149 ARG CA . 31069 1 1034 . 1 . 1 149 149 ARG CB C 13 30.002 0.02 . . . . . . A 149 ARG CB . 31069 1 1035 . 1 . 1 149 149 ARG N N 15 121.493 0.00 . . . . . . A 149 ARG N . 31069 1 1036 . 1 . 1 150 150 LEU H H 1 7.468 0.00 . . . . . . A 150 LEU H . 31069 1 1037 . 1 . 1 150 150 LEU HD11 H 1 0.998 0.00 . . . . . . A 150 LEU HD11 . 31069 1 1038 . 1 . 1 150 150 LEU HD12 H 1 0.998 0.00 . . . . . . A 150 LEU HD12 . 31069 1 1039 . 1 . 1 150 150 LEU HD13 H 1 0.998 0.00 . . . . . . A 150 LEU HD13 . 31069 1 1040 . 1 . 1 150 150 LEU HD21 H 1 0.968 0.00 . . . . . . A 150 LEU HD21 . 31069 1 1041 . 1 . 1 150 150 LEU HD22 H 1 0.968 0.00 . . . . . . A 150 LEU HD22 . 31069 1 1042 . 1 . 1 150 150 LEU HD23 H 1 0.968 0.00 . . . . . . A 150 LEU HD23 . 31069 1 1043 . 1 . 1 150 150 LEU C C 13 180.316 0.07 . . . . . . A 150 LEU C . 31069 1 1044 . 1 . 1 150 150 LEU CA C 13 58.617 0.04 . . . . . . A 150 LEU CA . 31069 1 1045 . 1 . 1 150 150 LEU CB C 13 41.252 0.05 . . . . . . A 150 LEU CB . 31069 1 1046 . 1 . 1 150 150 LEU CD1 C 13 24.587 0.00 . . . . . . A 150 LEU CD1 . 31069 1 1047 . 1 . 1 150 150 LEU CD2 C 13 23.825 0.00 . . . . . . A 150 LEU CD2 . 31069 1 1048 . 1 . 1 150 150 LEU N N 15 120.312 0.00 . . . . . . A 150 LEU N . 31069 1 1049 . 1 . 1 151 151 GLN H H 1 8.549 0.00 . . . . . . A 151 GLN H . 31069 1 1050 . 1 . 1 151 151 GLN C C 13 178.575 0.03 . . . . . . A 151 GLN C . 31069 1 1051 . 1 . 1 151 151 GLN CA C 13 59.928 0.06 . . . . . . A 151 GLN CA . 31069 1 1052 . 1 . 1 151 151 GLN CB C 13 28.767 0.07 . . . . . . A 151 GLN CB . 31069 1 1053 . 1 . 1 151 151 GLN N N 15 119.134 0.00 . . . . . . A 151 GLN N . 31069 1 1054 . 1 . 1 152 152 LEU H H 1 8.748 0.00 . . . . . . A 152 LEU H . 31069 1 1055 . 1 . 1 152 152 LEU HD11 H 1 0.888 0.00 . . . . . . A 152 LEU HD11 . 31069 1 1056 . 1 . 1 152 152 LEU HD12 H 1 0.888 0.00 . . . . . . A 152 LEU HD12 . 31069 1 1057 . 1 . 1 152 152 LEU HD13 H 1 0.888 0.00 . . . . . . A 152 LEU HD13 . 31069 1 1058 . 1 . 1 152 152 LEU HD21 H 1 0.896 0.00 . . . . . . A 152 LEU HD21 . 31069 1 1059 . 1 . 1 152 152 LEU HD22 H 1 0.896 0.00 . . . . . . A 152 LEU HD22 . 31069 1 1060 . 1 . 1 152 152 LEU HD23 H 1 0.896 0.00 . . . . . . A 152 LEU HD23 . 31069 1 1061 . 1 . 1 152 152 LEU C C 13 179.787 0.02 . . . . . . A 152 LEU C . 31069 1 1062 . 1 . 1 152 152 LEU CA C 13 58.956 0.01 . . . . . . A 152 LEU CA . 31069 1 1063 . 1 . 1 152 152 LEU CB C 13 40.623 0.02 . . . . . . A 152 LEU CB . 31069 1 1064 . 1 . 1 152 152 LEU CD1 C 13 26.466 0.00 . . . . . . A 152 LEU CD1 . 31069 1 1065 . 1 . 1 152 152 LEU CD2 C 13 23.894 0.00 . . . . . . A 152 LEU CD2 . 31069 1 1066 . 1 . 1 152 152 LEU N N 15 120.344 0.00 . . . . . . A 152 LEU N . 31069 1 1067 . 1 . 1 153 153 THR H H 1 7.924 0.00 . . . . . . A 153 THR H . 31069 1 1068 . 1 . 1 153 153 THR HG21 H 1 1.291 0.00 . . . . . . A 153 THR HG21 . 31069 1 1069 . 1 . 1 153 153 THR HG22 H 1 1.291 0.00 . . . . . . A 153 THR HG22 . 31069 1 1070 . 1 . 1 153 153 THR HG23 H 1 1.291 0.00 . . . . . . A 153 THR HG23 . 31069 1 1071 . 1 . 1 153 153 THR C C 13 176.059 0.03 . . . . . . A 153 THR C . 31069 1 1072 . 1 . 1 153 153 THR CA C 13 66.993 0.04 . . . . . . A 153 THR CA . 31069 1 1073 . 1 . 1 153 153 THR CB C 13 69.186 0.02 . . . . . . A 153 THR CB . 31069 1 1074 . 1 . 1 153 153 THR CG2 C 13 21.738 0.00 . . . . . . A 153 THR CG2 . 31069 1 1075 . 1 . 1 153 153 THR N N 15 115.266 0.00 . . . . . . A 153 THR N . 31069 1 1076 . 1 . 1 154 154 GLN H H 1 7.984 0.00 . . . . . . A 154 GLN H . 31069 1 1077 . 1 . 1 154 154 GLN C C 13 178.205 0.10 . . . . . . A 154 GLN C . 31069 1 1078 . 1 . 1 154 154 GLN CA C 13 58.936 0.02 . . . . . . A 154 GLN CA . 31069 1 1079 . 1 . 1 154 154 GLN CB C 13 28.318 0.01 . . . . . . A 154 GLN CB . 31069 1 1080 . 1 . 1 154 154 GLN N N 15 119.941 0.00 . . . . . . A 154 GLN N . 31069 1 1081 . 1 . 1 155 155 TRP H H 1 8.367 0.00 . . . . . . A 155 TRP H . 31069 1 1082 . 1 . 1 155 155 TRP HE1 H 1 10.639 0.00 . . . . . . A 155 TRP HE1 . 31069 1 1083 . 1 . 1 155 155 TRP C C 13 176.278 0.05 . . . . . . A 155 TRP C . 31069 1 1084 . 1 . 1 155 155 TRP CA C 13 60.283 0.12 . . . . . . A 155 TRP CA . 31069 1 1085 . 1 . 1 155 155 TRP CB C 13 28.998 0.02 . . . . . . A 155 TRP CB . 31069 1 1086 . 1 . 1 155 155 TRP N N 15 117.500 0.00 . . . . . . A 155 TRP N . 31069 1 1087 . 1 . 1 155 155 TRP NE1 N 15 128.930 0.00 . . . . . . A 155 TRP NE1 . 31069 1 1088 . 1 . 1 156 156 THR H H 1 7.711 0.00 . . . . . . A 156 THR H . 31069 1 1089 . 1 . 1 156 156 THR HG21 H 1 1.282 0.00 . . . . . . A 156 THR HG21 . 31069 1 1090 . 1 . 1 156 156 THR HG22 H 1 1.282 0.00 . . . . . . A 156 THR HG22 . 31069 1 1091 . 1 . 1 156 156 THR HG23 H 1 1.282 0.00 . . . . . . A 156 THR HG23 . 31069 1 1092 . 1 . 1 156 156 THR C C 13 174.920 0.07 . . . . . . A 156 THR C . 31069 1 1093 . 1 . 1 156 156 THR CA C 13 62.755 0.00 . . . . . . A 156 THR CA . 31069 1 1094 . 1 . 1 156 156 THR CB C 13 70.415 0.00 . . . . . . A 156 THR CB . 31069 1 1095 . 1 . 1 156 156 THR CG2 C 13 21.917 0.00 . . . . . . A 156 THR CG2 . 31069 1 1096 . 1 . 1 156 156 THR N N 15 108.737 0.00 . . . . . . A 156 THR N . 31069 1 1097 . 1 . 1 157 157 GLN H H 1 7.744 0.00 . . . . . . A 157 GLN H . 31069 1 1098 . 1 . 1 157 157 GLN C C 13 175.836 0.06 . . . . . . A 157 GLN C . 31069 1 1099 . 1 . 1 157 157 GLN N N 15 121.243 0.00 . . . . . . A 157 GLN N . 31069 1 1100 . 1 . 1 158 158 LYS H H 1 8.173 0.00 . . . . . . A 158 LYS H . 31069 1 1101 . 1 . 1 158 158 LYS C C 13 176.568 0.01 . . . . . . A 158 LYS C . 31069 1 1102 . 1 . 1 158 158 LYS CA C 13 56.825 0.00 . . . . . . A 158 LYS CA . 31069 1 1103 . 1 . 1 158 158 LYS N N 15 121.913 0.00 . . . . . . A 158 LYS N . 31069 1 1104 . 1 . 1 159 159 VAL H H 1 8.013 0.00 . . . . . . A 159 VAL H . 31069 1 1105 . 1 . 1 159 159 VAL HG11 H 1 0.821 0.00 . . . . . . A 159 VAL HG11 . 31069 1 1106 . 1 . 1 159 159 VAL HG12 H 1 0.821 0.00 . . . . . . A 159 VAL HG12 . 31069 1 1107 . 1 . 1 159 159 VAL HG13 H 1 0.821 0.00 . . . . . . A 159 VAL HG13 . 31069 1 1108 . 1 . 1 159 159 VAL HG21 H 1 0.938 0.00 . . . . . . A 159 VAL HG21 . 31069 1 1109 . 1 . 1 159 159 VAL HG22 H 1 0.938 0.00 . . . . . . A 159 VAL HG22 . 31069 1 1110 . 1 . 1 159 159 VAL HG23 H 1 0.938 0.00 . . . . . . A 159 VAL HG23 . 31069 1 1111 . 1 . 1 159 159 VAL C C 13 175.595 0.03 . . . . . . A 159 VAL C . 31069 1 1112 . 1 . 1 159 159 VAL CA C 13 62.472 0.02 . . . . . . A 159 VAL CA . 31069 1 1113 . 1 . 1 159 159 VAL CB C 13 32.654 0.10 . . . . . . A 159 VAL CB . 31069 1 1114 . 1 . 1 159 159 VAL CG1 C 13 20.327 0.00 . . . . . . A 159 VAL CG1 . 31069 1 1115 . 1 . 1 159 159 VAL CG2 C 13 20.992 0.00 . . . . . . A 159 VAL CG2 . 31069 1 1116 . 1 . 1 159 159 VAL N N 15 120.666 0.00 . . . . . . A 159 VAL N . 31069 1 1117 . 1 . 1 160 160 ASP H H 1 8.326 0.00 . . . . . . A 160 ASP H . 31069 1 1118 . 1 . 1 160 160 ASP C C 13 176.287 0.08 . . . . . . A 160 ASP C . 31069 1 1119 . 1 . 1 160 160 ASP CA C 13 54.720 0.08 . . . . . . A 160 ASP CA . 31069 1 1120 . 1 . 1 160 160 ASP CB C 13 41.174 0.09 . . . . . . A 160 ASP CB . 31069 1 1121 . 1 . 1 160 160 ASP N N 15 123.493 0.00 . . . . . . A 160 ASP N . 31069 1 1122 . 1 . 1 161 161 LEU H H 1 8.128 0.00 . . . . . . A 161 LEU H . 31069 1 1123 . 1 . 1 161 161 LEU HD11 H 1 0.851 0.00 . . . . . . A 161 LEU HD11 . 31069 1 1124 . 1 . 1 161 161 LEU HD12 H 1 0.851 0.00 . . . . . . A 161 LEU HD12 . 31069 1 1125 . 1 . 1 161 161 LEU HD13 H 1 0.851 0.00 . . . . . . A 161 LEU HD13 . 31069 1 1126 . 1 . 1 161 161 LEU HD21 H 1 0.784 0.00 . . . . . . A 161 LEU HD21 . 31069 1 1127 . 1 . 1 161 161 LEU HD22 H 1 0.784 0.00 . . . . . . A 161 LEU HD22 . 31069 1 1128 . 1 . 1 161 161 LEU HD23 H 1 0.784 0.00 . . . . . . A 161 LEU HD23 . 31069 1 1129 . 1 . 1 161 161 LEU C C 13 177.318 0.01 . . . . . . A 161 LEU C . 31069 1 1130 . 1 . 1 161 161 LEU CA C 13 55.821 0.02 . . . . . . A 161 LEU CA . 31069 1 1131 . 1 . 1 161 161 LEU CB C 13 41.746 0.05 . . . . . . A 161 LEU CB . 31069 1 1132 . 1 . 1 161 161 LEU CD1 C 13 24.937 0.00 . . . . . . A 161 LEU CD1 . 31069 1 1133 . 1 . 1 161 161 LEU CD2 C 13 23.210 0.00 . . . . . . A 161 LEU CD2 . 31069 1 1134 . 1 . 1 161 161 LEU N N 15 123.137 0.00 . . . . . . A 161 LEU N . 31069 1 1135 . 1 . 1 162 162 ALA H H 1 8.203 0.00 . . . . . . A 162 ALA H . 31069 1 1136 . 1 . 1 162 162 ALA HB1 H 1 1.361 0.00 . . . . . . A 162 ALA HB1 . 31069 1 1137 . 1 . 1 162 162 ALA HB2 H 1 1.361 0.00 . . . . . . A 162 ALA HB2 . 31069 1 1138 . 1 . 1 162 162 ALA HB3 H 1 1.361 0.00 . . . . . . A 162 ALA HB3 . 31069 1 1139 . 1 . 1 162 162 ALA C C 13 177.753 0.04 . . . . . . A 162 ALA C . 31069 1 1140 . 1 . 1 162 162 ALA CA C 13 52.976 0.01 . . . . . . A 162 ALA CA . 31069 1 1141 . 1 . 1 162 162 ALA CB C 13 18.850 0.03 . . . . . . A 162 ALA CB . 31069 1 1142 . 1 . 1 162 162 ALA N N 15 123.094 0.00 . . . . . . A 162 ALA N . 31069 1 1143 . 1 . 1 163 163 LEU H H 1 7.860 0.00 . . . . . . A 163 LEU H . 31069 1 1144 . 1 . 1 163 163 LEU HD11 H 1 0.892 0.00 . . . . . . A 163 LEU HD11 . 31069 1 1145 . 1 . 1 163 163 LEU HD12 H 1 0.892 0.00 . . . . . . A 163 LEU HD12 . 31069 1 1146 . 1 . 1 163 163 LEU HD13 H 1 0.892 0.00 . . . . . . A 163 LEU HD13 . 31069 1 1147 . 1 . 1 163 163 LEU HD21 H 1 0.838 0.00 . . . . . . A 163 LEU HD21 . 31069 1 1148 . 1 . 1 163 163 LEU HD22 H 1 0.838 0.00 . . . . . . A 163 LEU HD22 . 31069 1 1149 . 1 . 1 163 163 LEU HD23 H 1 0.838 0.00 . . . . . . A 163 LEU HD23 . 31069 1 1150 . 1 . 1 163 163 LEU C C 13 177.255 0.06 . . . . . . A 163 LEU C . 31069 1 1151 . 1 . 1 163 163 LEU CA C 13 55.581 0.06 . . . . . . A 163 LEU CA . 31069 1 1152 . 1 . 1 163 163 LEU CB C 13 41.917 0.01 . . . . . . A 163 LEU CB . 31069 1 1153 . 1 . 1 163 163 LEU CD1 C 13 24.861 0.00 . . . . . . A 163 LEU CD1 . 31069 1 1154 . 1 . 1 163 163 LEU CD2 C 13 23.396 0.00 . . . . . . A 163 LEU CD2 . 31069 1 1155 . 1 . 1 163 163 LEU N N 15 120.086 0.00 . . . . . . A 163 LEU N . 31069 1 1156 . 1 . 1 164 164 LYS H H 1 8.055 0.00 . . . . . . A 164 LYS H . 31069 1 1157 . 1 . 1 164 164 LYS C C 13 175.908 0.00 . . . . . . A 164 LYS C . 31069 1 1158 . 1 . 1 164 164 LYS CA C 13 56.388 0.00 . . . . . . A 164 LYS CA . 31069 1 1159 . 1 . 1 164 164 LYS CB C 13 32.832 0.00 . . . . . . A 164 LYS CB . 31069 1 1160 . 1 . 1 164 164 LYS N N 15 121.502 0.00 . . . . . . A 164 LYS N . 31069 1 1161 . 1 . 1 165 165 SER C C 13 172.935 0.02 . . . . . . A 165 SER C . 31069 1 1162 . 1 . 1 165 165 SER CA C 13 58.300 0.00 . . . . . . A 165 SER CA . 31069 1 1163 . 1 . 1 165 165 SER CB C 13 64.028 0.04 . . . . . . A 165 SER CB . 31069 1 1164 . 1 . 1 166 166 TRP H H 1 7.597 0.00 . . . . . . A 166 TRP H . 31069 1 1165 . 1 . 1 166 166 TRP HE1 H 1 10.038 0.00 . . . . . . A 166 TRP HE1 . 31069 1 1166 . 1 . 1 166 166 TRP C C 13 180.607 0.00 . . . . . . A 166 TRP C . 31069 1 1167 . 1 . 1 166 166 TRP CA C 13 58.966 0.00 . . . . . . A 166 TRP CA . 31069 1 1168 . 1 . 1 166 166 TRP CB C 13 30.065 0.00 . . . . . . A 166 TRP CB . 31069 1 1169 . 1 . 1 166 166 TRP N N 15 127.420 0.00 . . . . . . A 166 TRP N . 31069 1 1170 . 1 . 1 166 166 TRP NE1 N 15 128.648 0.00 . . . . . . A 166 TRP NE1 . 31069 1 stop_ save_