data_53375 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53375 _Entry.Title ; assignment of FliD40 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-09-27 _Entry.Accession_date 2025-09-27 _Entry.Last_release_date 2025-09-29 _Entry.Original_release_date 2025-09-29 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _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 Qiong Xing . . . . 53375 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53375 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 238 53375 '15N chemical shifts' 117 53375 '1H chemical shifts' 116 53375 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 . . 2025-11-22 . original BMRB . 53375 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53375 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Ultraweak interactions drive cap-mediated positioning and elongation of the bacterial flagellar filament ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature Communications' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 LiXia Chen . . . . 53375 1 2 Xiaoqi Cheng . . . . 53375 1 3 Fangfang Zhang . . . . 53375 1 4 Xin Wang . . . . 53375 1 5 Wenxue Jiang . . . . 53375 1 6 Lixin Ma . . . . 53375 1 7 Qiong Xing . . . . 53375 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53375 _Assembly.ID 1 _Assembly.Name FliD _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 FliD 1 $entity_1 . . yes native no no . . . 53375 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53375 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAHMNSAKLTAYGTLKSALE KFQTANTALNKADLFKSDTK AKEAIKSWVDAYNSLVDTFS SLTKYTAVEPGEEASDKNGA LLGDSVVRTIQTGIRAQFAN SGSNSAFKTMAEIGITQDGT SGKLKIDDDKLTKVLKDNTA AARELLVGDGKETGITTKIA TEVKSYLADDGIIDNAQDNV NA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 182 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 53375 1 2 . ALA . 53375 1 3 . HIS . 53375 1 4 . MET . 53375 1 5 . ASN . 53375 1 6 . SER . 53375 1 7 . ALA . 53375 1 8 . LYS . 53375 1 9 . LEU . 53375 1 10 . THR . 53375 1 11 . ALA . 53375 1 12 . TYR . 53375 1 13 . GLY . 53375 1 14 . THR . 53375 1 15 . LEU . 53375 1 16 . LYS . 53375 1 17 . SER . 53375 1 18 . ALA . 53375 1 19 . LEU . 53375 1 20 . GLU . 53375 1 21 . LYS . 53375 1 22 . PHE . 53375 1 23 . GLN . 53375 1 24 . THR . 53375 1 25 . ALA . 53375 1 26 . ASN . 53375 1 27 . THR . 53375 1 28 . ALA . 53375 1 29 . LEU . 53375 1 30 . ASN . 53375 1 31 . LYS . 53375 1 32 . ALA . 53375 1 33 . ASP . 53375 1 34 . LEU . 53375 1 35 . PHE . 53375 1 36 . LYS . 53375 1 37 . SER . 53375 1 38 . ASP . 53375 1 39 . THR . 53375 1 40 . LYS . 53375 1 41 . ALA . 53375 1 42 . LYS . 53375 1 43 . GLU . 53375 1 44 . ALA . 53375 1 45 . ILE . 53375 1 46 . LYS . 53375 1 47 . SER . 53375 1 48 . TRP . 53375 1 49 . VAL . 53375 1 50 . ASP . 53375 1 51 . ALA . 53375 1 52 . TYR . 53375 1 53 . ASN . 53375 1 54 . SER . 53375 1 55 . LEU . 53375 1 56 . VAL . 53375 1 57 . ASP . 53375 1 58 . THR . 53375 1 59 . PHE . 53375 1 60 . SER . 53375 1 61 . SER . 53375 1 62 . LEU . 53375 1 63 . THR . 53375 1 64 . LYS . 53375 1 65 . TYR . 53375 1 66 . THR . 53375 1 67 . ALA . 53375 1 68 . VAL . 53375 1 69 . GLU . 53375 1 70 . PRO . 53375 1 71 . GLY . 53375 1 72 . GLU . 53375 1 73 . GLU . 53375 1 74 . ALA . 53375 1 75 . SER . 53375 1 76 . ASP . 53375 1 77 . LYS . 53375 1 78 . ASN . 53375 1 79 . GLY . 53375 1 80 . ALA . 53375 1 81 . LEU . 53375 1 82 . LEU . 53375 1 83 . GLY . 53375 1 84 . ASP . 53375 1 85 . SER . 53375 1 86 . VAL . 53375 1 87 . VAL . 53375 1 88 . ARG . 53375 1 89 . THR . 53375 1 90 . ILE . 53375 1 91 . GLN . 53375 1 92 . THR . 53375 1 93 . GLY . 53375 1 94 . ILE . 53375 1 95 . ARG . 53375 1 96 . ALA . 53375 1 97 . GLN . 53375 1 98 . PHE . 53375 1 99 . ALA . 53375 1 100 . ASN . 53375 1 101 . SER . 53375 1 102 . GLY . 53375 1 103 . SER . 53375 1 104 . ASN . 53375 1 105 . SER . 53375 1 106 . ALA . 53375 1 107 . PHE . 53375 1 108 . LYS . 53375 1 109 . THR . 53375 1 110 . MET . 53375 1 111 . ALA . 53375 1 112 . GLU . 53375 1 113 . ILE . 53375 1 114 . GLY . 53375 1 115 . ILE . 53375 1 116 . THR . 53375 1 117 . GLN . 53375 1 118 . ASP . 53375 1 119 . GLY . 53375 1 120 . THR . 53375 1 121 . SER . 53375 1 122 . GLY . 53375 1 123 . LYS . 53375 1 124 . LEU . 53375 1 125 . LYS . 53375 1 126 . ILE . 53375 1 127 . ASP . 53375 1 128 . ASP . 53375 1 129 . ASP . 53375 1 130 . LYS . 53375 1 131 . LEU . 53375 1 132 . THR . 53375 1 133 . LYS . 53375 1 134 . VAL . 53375 1 135 . LEU . 53375 1 136 . LYS . 53375 1 137 . ASP . 53375 1 138 . ASN . 53375 1 139 . THR . 53375 1 140 . ALA . 53375 1 141 . ALA . 53375 1 142 . ALA . 53375 1 143 . ARG . 53375 1 144 . GLU . 53375 1 145 . LEU . 53375 1 146 . LEU . 53375 1 147 . VAL . 53375 1 148 . GLY . 53375 1 149 . ASP . 53375 1 150 . GLY . 53375 1 151 . LYS . 53375 1 152 . GLU . 53375 1 153 . THR . 53375 1 154 . GLY . 53375 1 155 . ILE . 53375 1 156 . THR . 53375 1 157 . THR . 53375 1 158 . LYS . 53375 1 159 . ILE . 53375 1 160 . ALA . 53375 1 161 . THR . 53375 1 162 . GLU . 53375 1 163 . VAL . 53375 1 164 . LYS . 53375 1 165 . SER . 53375 1 166 . TYR . 53375 1 167 . LEU . 53375 1 168 . ALA . 53375 1 169 . ASP . 53375 1 170 . ASP . 53375 1 171 . GLY . 53375 1 172 . ILE . 53375 1 173 . ILE . 53375 1 174 . ASP . 53375 1 175 . ASN . 53375 1 176 . ALA . 53375 1 177 . GLN . 53375 1 178 . ASP . 53375 1 179 . ASN . 53375 1 180 . VAL . 53375 1 181 . ASN . 53375 1 182 . ALA . 53375 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 53375 1 . ALA 2 2 53375 1 . HIS 3 3 53375 1 . MET 4 4 53375 1 . ASN 5 5 53375 1 . SER 6 6 53375 1 . ALA 7 7 53375 1 . LYS 8 8 53375 1 . LEU 9 9 53375 1 . THR 10 10 53375 1 . ALA 11 11 53375 1 . TYR 12 12 53375 1 . GLY 13 13 53375 1 . THR 14 14 53375 1 . LEU 15 15 53375 1 . LYS 16 16 53375 1 . SER 17 17 53375 1 . ALA 18 18 53375 1 . LEU 19 19 53375 1 . GLU 20 20 53375 1 . LYS 21 21 53375 1 . PHE 22 22 53375 1 . GLN 23 23 53375 1 . THR 24 24 53375 1 . ALA 25 25 53375 1 . ASN 26 26 53375 1 . THR 27 27 53375 1 . ALA 28 28 53375 1 . LEU 29 29 53375 1 . ASN 30 30 53375 1 . LYS 31 31 53375 1 . ALA 32 32 53375 1 . ASP 33 33 53375 1 . LEU 34 34 53375 1 . PHE 35 35 53375 1 . LYS 36 36 53375 1 . SER 37 37 53375 1 . ASP 38 38 53375 1 . THR 39 39 53375 1 . LYS 40 40 53375 1 . ALA 41 41 53375 1 . LYS 42 42 53375 1 . GLU 43 43 53375 1 . ALA 44 44 53375 1 . ILE 45 45 53375 1 . LYS 46 46 53375 1 . SER 47 47 53375 1 . TRP 48 48 53375 1 . VAL 49 49 53375 1 . ASP 50 50 53375 1 . ALA 51 51 53375 1 . TYR 52 52 53375 1 . ASN 53 53 53375 1 . SER 54 54 53375 1 . LEU 55 55 53375 1 . VAL 56 56 53375 1 . ASP 57 57 53375 1 . THR 58 58 53375 1 . PHE 59 59 53375 1 . SER 60 60 53375 1 . SER 61 61 53375 1 . LEU 62 62 53375 1 . THR 63 63 53375 1 . LYS 64 64 53375 1 . TYR 65 65 53375 1 . THR 66 66 53375 1 . ALA 67 67 53375 1 . VAL 68 68 53375 1 . GLU 69 69 53375 1 . PRO 70 70 53375 1 . GLY 71 71 53375 1 . GLU 72 72 53375 1 . GLU 73 73 53375 1 . ALA 74 74 53375 1 . SER 75 75 53375 1 . ASP 76 76 53375 1 . LYS 77 77 53375 1 . ASN 78 78 53375 1 . GLY 79 79 53375 1 . ALA 80 80 53375 1 . LEU 81 81 53375 1 . LEU 82 82 53375 1 . GLY 83 83 53375 1 . ASP 84 84 53375 1 . SER 85 85 53375 1 . VAL 86 86 53375 1 . VAL 87 87 53375 1 . ARG 88 88 53375 1 . THR 89 89 53375 1 . ILE 90 90 53375 1 . GLN 91 91 53375 1 . THR 92 92 53375 1 . GLY 93 93 53375 1 . ILE 94 94 53375 1 . ARG 95 95 53375 1 . ALA 96 96 53375 1 . GLN 97 97 53375 1 . PHE 98 98 53375 1 . ALA 99 99 53375 1 . ASN 100 100 53375 1 . SER 101 101 53375 1 . GLY 102 102 53375 1 . SER 103 103 53375 1 . ASN 104 104 53375 1 . SER 105 105 53375 1 . ALA 106 106 53375 1 . PHE 107 107 53375 1 . LYS 108 108 53375 1 . THR 109 109 53375 1 . MET 110 110 53375 1 . ALA 111 111 53375 1 . GLU 112 112 53375 1 . ILE 113 113 53375 1 . GLY 114 114 53375 1 . ILE 115 115 53375 1 . THR 116 116 53375 1 . GLN 117 117 53375 1 . ASP 118 118 53375 1 . GLY 119 119 53375 1 . THR 120 120 53375 1 . SER 121 121 53375 1 . GLY 122 122 53375 1 . LYS 123 123 53375 1 . LEU 124 124 53375 1 . LYS 125 125 53375 1 . ILE 126 126 53375 1 . ASP 127 127 53375 1 . ASP 128 128 53375 1 . ASP 129 129 53375 1 . LYS 130 130 53375 1 . LEU 131 131 53375 1 . THR 132 132 53375 1 . LYS 133 133 53375 1 . VAL 134 134 53375 1 . LEU 135 135 53375 1 . LYS 136 136 53375 1 . ASP 137 137 53375 1 . ASN 138 138 53375 1 . THR 139 139 53375 1 . ALA 140 140 53375 1 . ALA 141 141 53375 1 . ALA 142 142 53375 1 . ARG 143 143 53375 1 . GLU 144 144 53375 1 . LEU 145 145 53375 1 . LEU 146 146 53375 1 . VAL 147 147 53375 1 . GLY 148 148 53375 1 . ASP 149 149 53375 1 . GLY 150 150 53375 1 . LYS 151 151 53375 1 . GLU 152 152 53375 1 . THR 153 153 53375 1 . GLY 154 154 53375 1 . ILE 155 155 53375 1 . THR 156 156 53375 1 . THR 157 157 53375 1 . LYS 158 158 53375 1 . ILE 159 159 53375 1 . ALA 160 160 53375 1 . THR 161 161 53375 1 . GLU 162 162 53375 1 . VAL 163 163 53375 1 . LYS 164 164 53375 1 . SER 165 165 53375 1 . TYR 166 166 53375 1 . LEU 167 167 53375 1 . ALA 168 168 53375 1 . ASP 169 169 53375 1 . ASP 170 170 53375 1 . GLY 171 171 53375 1 . ILE 172 172 53375 1 . ILE 173 173 53375 1 . ASP 174 174 53375 1 . ASN 175 175 53375 1 . ALA 176 176 53375 1 . GLN 177 177 53375 1 . ASP 178 178 53375 1 . ASN 179 179 53375 1 . VAL 180 180 53375 1 . ASN 181 181 53375 1 . ALA 182 182 53375 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53375 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 53375 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 53375 _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' . . . Escherichia coli . . . plasmid . . pET16b . . . 53375 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53375 _Sample.ID 1 _Sample.Name FliD40 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FliD '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 53375 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 53375 1 3 NaCl 'natural abundance' . . . . . . 0.15 . . M . . . . 53375 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 53375 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'FliD buffer' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 53375 1 pH 6.8 . pH 53375 1 pressure 1 . atm 53375 1 temperature 298 . K 53375 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53375 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53375 1 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 53375 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53375 _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 no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53375 1 2 '3D CBCACONH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53375 1 3 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53375 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 53375 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name H2O _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 water protons . . . . ppm 4.7 na indirect . . . . . . 53375 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 53375 1 N 15 water protons . . . . ppm 4.7 na indirect . . . . . . 53375 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 53375 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'chemical shift' _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' . . . 53375 1 2 '3D CBCACONH' . . . 53375 1 3 '3D HNCACB' . . . 53375 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53375 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 12 12 TYR CA C 13 61.002 . . . . . . . . 12 TYR CA . 53375 1 2 . 1 . 1 12 12 TYR N N 15 117.633 . . . . . . . . 12 TYR N . 53375 1 3 . 1 . 1 13 13 GLY H H 1 8.180 . . . . . . . . 13 GLY H . 53375 1 4 . 1 . 1 13 13 GLY CA C 13 47.471 . . . . . . . . 13 GLY CA . 53375 1 5 . 1 . 1 13 13 GLY N N 15 108.601 . . . . . . . . 13 GLY N . 53375 1 6 . 1 . 1 14 14 THR H H 1 8.391 . . . . . . . . 14 THR H . 53375 1 7 . 1 . 1 14 14 THR CA C 13 66.193 . . . . . . . . 14 THR CA . 53375 1 8 . 1 . 1 14 14 THR CB C 13 68.555 . . . . . . . . 14 THR CB . 53375 1 9 . 1 . 1 14 14 THR N N 15 121.014 . . . . . . . . 14 THR N . 53375 1 10 . 1 . 1 15 15 LEU H H 1 8.146 . . . . . . . . 15 LEU H . 53375 1 11 . 1 . 1 15 15 LEU CA C 13 58.400 . . . . . . . . 15 LEU CA . 53375 1 12 . 1 . 1 15 15 LEU CB C 13 41.699 . . . . . . . . 15 LEU CB . 53375 1 13 . 1 . 1 15 15 LEU N N 15 123.823 . . . . . . . . 15 LEU N . 53375 1 14 . 1 . 1 16 16 LYS H H 1 8.616 . . . . . . . . 16 LYS H . 53375 1 15 . 1 . 1 16 16 LYS CA C 13 61.304 . . . . . . . . 16 LYS CA . 53375 1 16 . 1 . 1 16 16 LYS CB C 13 32.783 . . . . . . . . 16 LYS CB . 53375 1 17 . 1 . 1 16 16 LYS N N 15 119.125 . . . . . . . . 16 LYS N . 53375 1 18 . 1 . 1 17 17 SER H H 1 8.178 . . . . . . . . 17 SER H . 53375 1 19 . 1 . 1 17 17 SER CA C 13 61.651 . . . . . . . . 17 SER CA . 53375 1 20 . 1 . 1 17 17 SER CB C 13 62.889 . . . . . . . . 17 SER CB . 53375 1 21 . 1 . 1 17 17 SER N N 15 113.010 . . . . . . . . 17 SER N . 53375 1 22 . 1 . 1 18 18 ALA H H 1 8.032 . . . . . . . . 18 ALA H . 53375 1 23 . 1 . 1 18 18 ALA CA C 13 55.087 . . . . . . . . 18 ALA CA . 53375 1 24 . 1 . 1 18 18 ALA CB C 13 19.158 . . . . . . . . 18 ALA CB . 53375 1 25 . 1 . 1 18 18 ALA N N 15 123.856 . . . . . . . . 18 ALA N . 53375 1 26 . 1 . 1 19 19 LEU H H 1 8.770 . . . . . . . . 19 LEU H . 53375 1 27 . 1 . 1 19 19 LEU CA C 13 57.984 . . . . . . . . 19 LEU CA . 53375 1 28 . 1 . 1 19 19 LEU CB C 13 42.457 . . . . . . . . 19 LEU CB . 53375 1 29 . 1 . 1 19 19 LEU N N 15 121.874 . . . . . . . . 19 LEU N . 53375 1 30 . 1 . 1 20 20 GLU H H 1 8.865 . . . . . . . . 20 GLU H . 53375 1 31 . 1 . 1 20 20 GLU CA C 13 59.922 . . . . . . . . 20 GLU CA . 53375 1 32 . 1 . 1 20 20 GLU CB C 13 29.774 . . . . . . . . 20 GLU CB . 53375 1 33 . 1 . 1 20 20 GLU N N 15 121.140 . . . . . . . . 20 GLU N . 53375 1 34 . 1 . 1 21 21 LYS H H 1 7.974 . . . . . . . . 21 LYS H . 53375 1 35 . 1 . 1 21 21 LYS CA C 13 59.889 . . . . . . . . 21 LYS CA . 53375 1 36 . 1 . 1 21 21 LYS CB C 13 32.397 . . . . . . . . 21 LYS CB . 53375 1 37 . 1 . 1 21 21 LYS N N 15 120.249 . . . . . . . . 21 LYS N . 53375 1 38 . 1 . 1 22 22 PHE H H 1 8.001 . . . . . . . . 22 PHE H . 53375 1 39 . 1 . 1 22 22 PHE CA C 13 60.673 . . . . . . . . 22 PHE CA . 53375 1 40 . 1 . 1 22 22 PHE CB C 13 39.307 . . . . . . . . 22 PHE CB . 53375 1 41 . 1 . 1 22 22 PHE N N 15 120.244 . . . . . . . . 22 PHE N . 53375 1 42 . 1 . 1 23 23 GLN H H 1 9.304 . . . . . . . . 23 GLN H . 53375 1 43 . 1 . 1 23 23 GLN CA C 13 59.245 . . . . . . . . 23 GLN CA . 53375 1 44 . 1 . 1 23 23 GLN CB C 13 29.656 . . . . . . . . 23 GLN CB . 53375 1 45 . 1 . 1 23 23 GLN N N 15 121.492 . . . . . . . . 23 GLN N . 53375 1 46 . 1 . 1 24 24 THR H H 1 8.400 . . . . . . . . 24 THR H . 53375 1 47 . 1 . 1 24 24 THR CA C 13 67.018 . . . . . . . . 24 THR CA . 53375 1 48 . 1 . 1 24 24 THR CB C 13 68.864 . . . . . . . . 24 THR CB . 53375 1 49 . 1 . 1 24 24 THR N N 15 116.473 . . . . . . . . 24 THR N . 53375 1 50 . 1 . 1 25 25 ALA H H 1 7.444 . . . . . . . . 25 ALA H . 53375 1 51 . 1 . 1 25 25 ALA CA C 13 54.905 . . . . . . . . 25 ALA CA . 53375 1 52 . 1 . 1 25 25 ALA CB C 13 18.649 . . . . . . . . 25 ALA CB . 53375 1 53 . 1 . 1 25 25 ALA N N 15 124.284 . . . . . . . . 25 ALA N . 53375 1 54 . 1 . 1 26 26 ASN H H 1 8.952 . . . . . . . . 26 ASN H . 53375 1 55 . 1 . 1 26 26 ASN CA C 13 58.298 . . . . . . . . 26 ASN CA . 53375 1 56 . 1 . 1 26 26 ASN CB C 13 39.624 . . . . . . . . 26 ASN CB . 53375 1 57 . 1 . 1 26 26 ASN N N 15 120.120 . . . . . . . . 26 ASN N . 53375 1 58 . 1 . 1 27 27 THR H H 1 9.036 . . . . . . . . 27 THR H . 53375 1 59 . 1 . 1 27 27 THR CA C 13 66.456 . . . . . . . . 27 THR CA . 53375 1 60 . 1 . 1 27 27 THR CB C 13 68.876 . . . . . . . . 27 THR CB . 53375 1 61 . 1 . 1 27 27 THR N N 15 117.397 . . . . . . . . 27 THR N . 53375 1 62 . 1 . 1 28 28 ALA H H 1 7.558 . . . . . . . . 28 ALA H . 53375 1 63 . 1 . 1 28 28 ALA CA C 13 54.843 . . . . . . . . 28 ALA CA . 53375 1 64 . 1 . 1 28 28 ALA N N 15 122.115 . . . . . . . . 28 ALA N . 53375 1 65 . 1 . 1 31 31 LYS CA C 13 54.895 . . . . . . . . 31 LYS CA . 53375 1 66 . 1 . 1 31 31 LYS CB C 13 30.740 . . . . . . . . 31 LYS CB . 53375 1 67 . 1 . 1 32 32 ALA H H 1 9.020 . . . . . . . . 32 ALA H . 53375 1 68 . 1 . 1 32 32 ALA CA C 13 53.854 . . . . . . . . 32 ALA CA . 53375 1 69 . 1 . 1 32 32 ALA N N 15 126.721 . . . . . . . . 32 ALA N . 53375 1 70 . 1 . 1 38 38 ASP CA C 13 57.333 . . . . . . . . 38 ASP CA . 53375 1 71 . 1 . 1 38 38 ASP CB C 13 39.497 . . . . . . . . 38 ASP CB . 53375 1 72 . 1 . 1 39 39 THR H H 1 7.910 . . . . . . . . 39 THR H . 53375 1 73 . 1 . 1 39 39 THR CA C 13 65.372 . . . . . . . . 39 THR CA . 53375 1 74 . 1 . 1 39 39 THR CB C 13 68.479 . . . . . . . . 39 THR CB . 53375 1 75 . 1 . 1 39 39 THR N N 15 114.980 . . . . . . . . 39 THR N . 53375 1 76 . 1 . 1 40 40 LYS H H 1 7.828 . . . . . . . . 40 LYS H . 53375 1 77 . 1 . 1 40 40 LYS CA C 13 58.688 . . . . . . . . 40 LYS CA . 53375 1 78 . 1 . 1 40 40 LYS N N 15 122.853 . . . . . . . . 40 LYS N . 53375 1 79 . 1 . 1 43 43 GLU CA C 13 59.439 . . . . . . . . 43 GLU CA . 53375 1 80 . 1 . 1 43 43 GLU CB C 13 29.585 . . . . . . . . 43 GLU CB . 53375 1 81 . 1 . 1 44 44 ALA H H 1 7.845 . . . . . . . . 44 ALA H . 53375 1 82 . 1 . 1 44 44 ALA CA C 13 54.962 . . . . . . . . 44 ALA CA . 53375 1 83 . 1 . 1 44 44 ALA CB C 13 19.239 . . . . . . . . 44 ALA CB . 53375 1 84 . 1 . 1 44 44 ALA N N 15 122.078 . . . . . . . . 44 ALA N . 53375 1 85 . 1 . 1 45 45 ILE H H 1 8.511 . . . . . . . . 45 ILE H . 53375 1 86 . 1 . 1 45 45 ILE CA C 13 66.100 . . . . . . . . 45 ILE CA . 53375 1 87 . 1 . 1 45 45 ILE CB C 13 38.400 . . . . . . . . 45 ILE CB . 53375 1 88 . 1 . 1 45 45 ILE N N 15 121.950 . . . . . . . . 45 ILE N . 53375 1 89 . 1 . 1 46 46 LYS H H 1 8.652 . . . . . . . . 46 LYS H . 53375 1 90 . 1 . 1 46 46 LYS CA C 13 60.717 . . . . . . . . 46 LYS CA . 53375 1 91 . 1 . 1 46 46 LYS CB C 13 31.802 . . . . . . . . 46 LYS CB . 53375 1 92 . 1 . 1 46 46 LYS N N 15 121.107 . . . . . . . . 46 LYS N . 53375 1 93 . 1 . 1 47 47 SER H H 1 8.297 . . . . . . . . 47 SER H . 53375 1 94 . 1 . 1 47 47 SER CA C 13 62.217 . . . . . . . . 47 SER CA . 53375 1 95 . 1 . 1 47 47 SER CB C 13 63.124 . . . . . . . . 47 SER CB . 53375 1 96 . 1 . 1 47 47 SER N N 15 114.226 . . . . . . . . 47 SER N . 53375 1 97 . 1 . 1 48 48 TRP H H 1 8.070 . . . . . . . . 48 TRP H . 53375 1 98 . 1 . 1 48 48 TRP CA C 13 62.421 . . . . . . . . 48 TRP CA . 53375 1 99 . 1 . 1 48 48 TRP CB C 13 29.978 . . . . . . . . 48 TRP CB . 53375 1 100 . 1 . 1 48 48 TRP N N 15 125.370 . . . . . . . . 48 TRP N . 53375 1 101 . 1 . 1 49 49 VAL H H 1 8.846 . . . . . . . . 49 VAL H . 53375 1 102 . 1 . 1 49 49 VAL CA C 13 67.440 . . . . . . . . 49 VAL CA . 53375 1 103 . 1 . 1 49 49 VAL CB C 13 31.992 . . . . . . . . 49 VAL CB . 53375 1 104 . 1 . 1 49 49 VAL N N 15 120.328 . . . . . . . . 49 VAL N . 53375 1 105 . 1 . 1 50 50 ASP H H 1 8.600 . . . . . . . . 50 ASP H . 53375 1 106 . 1 . 1 50 50 ASP CA C 13 57.603 . . . . . . . . 50 ASP CA . 53375 1 107 . 1 . 1 50 50 ASP CB C 13 40.282 . . . . . . . . 50 ASP CB . 53375 1 108 . 1 . 1 50 50 ASP N N 15 118.753 . . . . . . . . 50 ASP N . 53375 1 109 . 1 . 1 51 51 ALA H H 1 8.314 . . . . . . . . 51 ALA H . 53375 1 110 . 1 . 1 51 51 ALA CA C 13 55.108 . . . . . . . . 51 ALA CA . 53375 1 111 . 1 . 1 51 51 ALA CB C 13 18.675 . . . . . . . . 51 ALA CB . 53375 1 112 . 1 . 1 51 51 ALA N N 15 122.791 . . . . . . . . 51 ALA N . 53375 1 113 . 1 . 1 52 52 TYR H H 1 8.862 . . . . . . . . 52 TYR H . 53375 1 114 . 1 . 1 52 52 TYR CA C 13 61.716 . . . . . . . . 52 TYR CA . 53375 1 115 . 1 . 1 52 52 TYR CB C 13 37.154 . . . . . . . . 52 TYR CB . 53375 1 116 . 1 . 1 52 52 TYR N N 15 123.704 . . . . . . . . 52 TYR N . 53375 1 117 . 1 . 1 53 53 ASN H H 1 8.884 . . . . . . . . 53 ASN H . 53375 1 118 . 1 . 1 53 53 ASN CA C 13 55.522 . . . . . . . . 53 ASN CA . 53375 1 119 . 1 . 1 53 53 ASN CB C 13 36.766 . . . . . . . . 53 ASN CB . 53375 1 120 . 1 . 1 53 53 ASN N N 15 120.124 . . . . . . . . 53 ASN N . 53375 1 121 . 1 . 1 54 54 SER H H 1 8.059 . . . . . . . . 54 SER H . 53375 1 122 . 1 . 1 54 54 SER CA C 13 61.496 . . . . . . . . 54 SER CA . 53375 1 123 . 1 . 1 54 54 SER CB C 13 62.985 . . . . . . . . 54 SER CB . 53375 1 124 . 1 . 1 54 54 SER N N 15 115.500 . . . . . . . . 54 SER N . 53375 1 125 . 1 . 1 55 55 LEU H H 1 7.459 . . . . . . . . 55 LEU H . 53375 1 126 . 1 . 1 55 55 LEU CA C 13 58.184 . . . . . . . . 55 LEU CA . 53375 1 127 . 1 . 1 55 55 LEU N N 15 126.163 . . . . . . . . 55 LEU N . 53375 1 128 . 1 . 1 56 56 VAL CA C 13 66.919 . . . . . . . . 56 VAL CA . 53375 1 129 . 1 . 1 56 56 VAL CB C 13 30.479 . . . . . . . . 56 VAL CB . 53375 1 130 . 1 . 1 57 57 ASP H H 1 7.863 . . . . . . . . 57 ASP H . 53375 1 131 . 1 . 1 57 57 ASP CA C 13 57.642 . . . . . . . . 57 ASP CA . 53375 1 132 . 1 . 1 57 57 ASP N N 15 119.968 . . . . . . . . 57 ASP N . 53375 1 133 . 1 . 1 58 58 THR H H 1 7.907 . . . . . . . . 58 THR H . 53375 1 134 . 1 . 1 58 58 THR CA C 13 67.348 . . . . . . . . 58 THR CA . 53375 1 135 . 1 . 1 58 58 THR CB C 13 67.935 . . . . . . . . 58 THR CB . 53375 1 136 . 1 . 1 58 58 THR N N 15 119.510 . . . . . . . . 58 THR N . 53375 1 137 . 1 . 1 59 59 PHE H H 1 8.557 . . . . . . . . 59 PHE H . 53375 1 138 . 1 . 1 59 59 PHE CA C 13 58.788 . . . . . . . . 59 PHE CA . 53375 1 139 . 1 . 1 59 59 PHE CB C 13 37.397 . . . . . . . . 59 PHE CB . 53375 1 140 . 1 . 1 59 59 PHE N N 15 121.498 . . . . . . . . 59 PHE N . 53375 1 141 . 1 . 1 60 60 SER H H 1 8.473 . . . . . . . . 60 SER H . 53375 1 142 . 1 . 1 60 60 SER CA C 13 61.457 . . . . . . . . 60 SER CA . 53375 1 143 . 1 . 1 60 60 SER CB C 13 62.838 . . . . . . . . 60 SER CB . 53375 1 144 . 1 . 1 60 60 SER N N 15 114.604 . . . . . . . . 60 SER N . 53375 1 145 . 1 . 1 61 61 SER H H 1 8.081 . . . . . . . . 61 SER H . 53375 1 146 . 1 . 1 61 61 SER CA C 13 61.264 . . . . . . . . 61 SER CA . 53375 1 147 . 1 . 1 61 61 SER CB C 13 62.749 . . . . . . . . 61 SER CB . 53375 1 148 . 1 . 1 61 61 SER N N 15 117.018 . . . . . . . . 61 SER N . 53375 1 149 . 1 . 1 62 62 LEU H H 1 7.800 . . . . . . . . 62 LEU H . 53375 1 150 . 1 . 1 62 62 LEU CA C 13 57.868 . . . . . . . . 62 LEU CA . 53375 1 151 . 1 . 1 62 62 LEU N N 15 121.743 . . . . . . . . 62 LEU N . 53375 1 152 . 1 . 1 66 66 THR CA C 13 61.458 . . . . . . . . 66 THR CA . 53375 1 153 . 1 . 1 66 66 THR CB C 13 70.100 . . . . . . . . 66 THR CB . 53375 1 154 . 1 . 1 67 67 ALA H H 1 8.151 . . . . . . . . 67 ALA H . 53375 1 155 . 1 . 1 67 67 ALA CA C 13 52.406 . . . . . . . . 67 ALA CA . 53375 1 156 . 1 . 1 67 67 ALA CB C 13 19.205 . . . . . . . . 67 ALA CB . 53375 1 157 . 1 . 1 67 67 ALA N N 15 127.139 . . . . . . . . 67 ALA N . 53375 1 158 . 1 . 1 68 68 VAL H H 1 8.005 . . . . . . . . 68 VAL H . 53375 1 159 . 1 . 1 68 68 VAL CA C 13 61.451 . . . . . . . . 68 VAL CA . 53375 1 160 . 1 . 1 68 68 VAL CB C 13 33.376 . . . . . . . . 68 VAL CB . 53375 1 161 . 1 . 1 68 68 VAL N N 15 118.506 . . . . . . . . 68 VAL N . 53375 1 162 . 1 . 1 69 69 GLU H H 1 8.474 . . . . . . . . 69 GLU H . 53375 1 163 . 1 . 1 69 69 GLU CA C 13 54.292 . . . . . . . . 69 GLU CA . 53375 1 164 . 1 . 1 69 69 GLU N N 15 125.440 . . . . . . . . 69 GLU N . 53375 1 165 . 1 . 1 70 70 PRO CA C 13 63.797 . . . . . . . . 70 PRO CA . 53375 1 166 . 1 . 1 70 70 PRO CB C 13 31.954 . . . . . . . . 70 PRO CB . 53375 1 167 . 1 . 1 71 71 GLY H H 1 8.639 . . . . . . . . 71 GLY H . 53375 1 168 . 1 . 1 71 71 GLY CA C 13 45.289 . . . . . . . . 71 GLY CA . 53375 1 169 . 1 . 1 71 71 GLY N N 15 111.136 . . . . . . . . 71 GLY N . 53375 1 170 . 1 . 1 72 72 GLU H H 1 8.054 . . . . . . . . 72 GLU H . 53375 1 171 . 1 . 1 72 72 GLU CA C 13 56.082 . . . . . . . . 72 GLU CA . 53375 1 172 . 1 . 1 72 72 GLU CB C 13 30.551 . . . . . . . . 72 GLU CB . 53375 1 173 . 1 . 1 72 72 GLU N N 15 120.375 . . . . . . . . 72 GLU N . 53375 1 174 . 1 . 1 73 73 GLU H H 1 8.606 . . . . . . . . 73 GLU H . 53375 1 175 . 1 . 1 73 73 GLU CA C 13 56.793 . . . . . . . . 73 GLU CA . 53375 1 176 . 1 . 1 73 73 GLU CB C 13 30.285 . . . . . . . . 73 GLU CB . 53375 1 177 . 1 . 1 73 73 GLU N N 15 121.695 . . . . . . . . 73 GLU N . 53375 1 178 . 1 . 1 74 74 ALA H H 1 8.383 . . . . . . . . 74 ALA H . 53375 1 179 . 1 . 1 74 74 ALA CA C 13 52.563 . . . . . . . . 74 ALA CA . 53375 1 180 . 1 . 1 74 74 ALA CB C 13 19.254 . . . . . . . . 74 ALA CB . 53375 1 181 . 1 . 1 74 74 ALA N N 15 124.756 . . . . . . . . 74 ALA N . 53375 1 182 . 1 . 1 75 75 SER H H 1 8.305 . . . . . . . . 75 SER H . 53375 1 183 . 1 . 1 75 75 SER CA C 13 58.671 . . . . . . . . 75 SER CA . 53375 1 184 . 1 . 1 75 75 SER CB C 13 63.780 . . . . . . . . 75 SER CB . 53375 1 185 . 1 . 1 75 75 SER N N 15 115.098 . . . . . . . . 75 SER N . 53375 1 186 . 1 . 1 76 76 ASP H H 1 8.389 . . . . . . . . 76 ASP H . 53375 1 187 . 1 . 1 76 76 ASP CA C 13 54.534 . . . . . . . . 76 ASP CA . 53375 1 188 . 1 . 1 76 76 ASP CB C 13 40.246 . . . . . . . . 76 ASP CB . 53375 1 189 . 1 . 1 76 76 ASP N N 15 122.631 . . . . . . . . 76 ASP N . 53375 1 190 . 1 . 1 77 77 LYS H H 1 7.597 . . . . . . . . 77 LYS H . 53375 1 191 . 1 . 1 77 77 LYS CA C 13 55.088 . . . . . . . . 77 LYS CA . 53375 1 192 . 1 . 1 77 77 LYS CB C 13 32.760 . . . . . . . . 77 LYS CB . 53375 1 193 . 1 . 1 77 77 LYS N N 15 118.753 . . . . . . . . 77 LYS N . 53375 1 194 . 1 . 1 78 78 ASN H H 1 8.096 . . . . . . . . 78 ASN H . 53375 1 195 . 1 . 1 78 78 ASN CA C 13 53.328 . . . . . . . . 78 ASN CA . 53375 1 196 . 1 . 1 78 78 ASN N N 15 118.508 . . . . . . . . 78 ASN N . 53375 1 197 . 1 . 1 80 80 ALA CA C 13 54.308 . . . . . . . . 80 ALA CA . 53375 1 198 . 1 . 1 80 80 ALA CB C 13 18.684 . . . . . . . . 80 ALA CB . 53375 1 199 . 1 . 1 81 81 LEU H H 1 8.137 . . . . . . . . 81 LEU H . 53375 1 200 . 1 . 1 81 81 LEU CA C 13 54.116 . . . . . . . . 81 LEU CA . 53375 1 201 . 1 . 1 81 81 LEU N N 15 115.791 . . . . . . . . 81 LEU N . 53375 1 202 . 1 . 1 85 85 SER CA C 13 60.800 . . . . . . . . 85 SER CA . 53375 1 203 . 1 . 1 85 85 SER CB C 13 63.339 . . . . . . . . 85 SER CB . 53375 1 204 . 1 . 1 86 86 VAL H H 1 8.212 . . . . . . . . 86 VAL H . 53375 1 205 . 1 . 1 86 86 VAL CA C 13 66.623 . . . . . . . . 86 VAL CA . 53375 1 206 . 1 . 1 86 86 VAL N N 15 125.348 . . . . . . . . 86 VAL N . 53375 1 207 . 1 . 1 87 87 VAL H H 1 7.788 . . . . . . . . 87 VAL H . 53375 1 208 . 1 . 1 87 87 VAL CA C 13 66.783 . . . . . . . . 87 VAL CA . 53375 1 209 . 1 . 1 87 87 VAL N N 15 118.000 . . . . . . . . 87 VAL N . 53375 1 210 . 1 . 1 88 88 ARG H H 1 7.558 . . . . . . . . 88 ARG H . 53375 1 211 . 1 . 1 88 88 ARG CA C 13 58.864 . . . . . . . . 88 ARG CA . 53375 1 212 . 1 . 1 88 88 ARG CB C 13 29.304 . . . . . . . . 88 ARG CB . 53375 1 213 . 1 . 1 88 88 ARG N N 15 117.736 . . . . . . . . 88 ARG N . 53375 1 214 . 1 . 1 89 89 THR H H 1 8.917 . . . . . . . . 89 THR H . 53375 1 215 . 1 . 1 89 89 THR CA C 13 66.627 . . . . . . . . 89 THR CA . 53375 1 216 . 1 . 1 89 89 THR N N 15 116.879 . . . . . . . . 89 THR N . 53375 1 217 . 1 . 1 90 90 ILE CA C 13 64.682 . . . . . . . . 90 ILE CA . 53375 1 218 . 1 . 1 91 91 GLN H H 1 8.311 . . . . . . . . 91 GLN H . 53375 1 219 . 1 . 1 91 91 GLN CA C 13 59.517 . . . . . . . . 91 GLN CA . 53375 1 220 . 1 . 1 91 91 GLN CB C 13 28.642 . . . . . . . . 91 GLN CB . 53375 1 221 . 1 . 1 91 91 GLN N N 15 118.604 . . . . . . . . 91 GLN N . 53375 1 222 . 1 . 1 92 92 THR H H 1 8.082 . . . . . . . . 92 THR H . 53375 1 223 . 1 . 1 92 92 THR CA C 13 65.942 . . . . . . . . 92 THR CA . 53375 1 224 . 1 . 1 92 92 THR CB C 13 68.964 . . . . . . . . 92 THR CB . 53375 1 225 . 1 . 1 92 92 THR N N 15 112.872 . . . . . . . . 92 THR N . 53375 1 226 . 1 . 1 93 93 GLY H H 1 8.214 . . . . . . . . 93 GLY H . 53375 1 227 . 1 . 1 93 93 GLY CA C 13 47.155 . . . . . . . . 93 GLY CA . 53375 1 228 . 1 . 1 93 93 GLY N N 15 112.321 . . . . . . . . 93 GLY N . 53375 1 229 . 1 . 1 94 94 ILE H H 1 8.232 . . . . . . . . 94 ILE H . 53375 1 230 . 1 . 1 94 94 ILE CA C 13 66.500 . . . . . . . . 94 ILE CA . 53375 1 231 . 1 . 1 94 94 ILE CB C 13 38.383 . . . . . . . . 94 ILE CB . 53375 1 232 . 1 . 1 94 94 ILE N N 15 119.326 . . . . . . . . 94 ILE N . 53375 1 233 . 1 . 1 95 95 ARG H H 1 7.379 . . . . . . . . 95 ARG H . 53375 1 234 . 1 . 1 95 95 ARG CA C 13 58.437 . . . . . . . . 95 ARG CA . 53375 1 235 . 1 . 1 95 95 ARG CB C 13 30.097 . . . . . . . . 95 ARG CB . 53375 1 236 . 1 . 1 95 95 ARG N N 15 116.096 . . . . . . . . 95 ARG N . 53375 1 237 . 1 . 1 96 96 ALA H H 1 8.100 . . . . . . . . 96 ALA H . 53375 1 238 . 1 . 1 96 96 ALA CA C 13 54.717 . . . . . . . . 96 ALA CA . 53375 1 239 . 1 . 1 96 96 ALA CB C 13 17.875 . . . . . . . . 96 ALA CB . 53375 1 240 . 1 . 1 96 96 ALA N N 15 121.062 . . . . . . . . 96 ALA N . 53375 1 241 . 1 . 1 97 97 GLN H H 1 7.021 . . . . . . . . 97 GLN H . 53375 1 242 . 1 . 1 97 97 GLN CA C 13 55.292 . . . . . . . . 97 GLN CA . 53375 1 243 . 1 . 1 97 97 GLN CB C 13 26.677 . . . . . . . . 97 GLN CB . 53375 1 244 . 1 . 1 97 97 GLN N N 15 116.060 . . . . . . . . 97 GLN N . 53375 1 245 . 1 . 1 98 98 PHE H H 1 7.330 . . . . . . . . 98 PHE H . 53375 1 246 . 1 . 1 98 98 PHE CA C 13 57.784 . . . . . . . . 98 PHE CA . 53375 1 247 . 1 . 1 98 98 PHE CB C 13 37.967 . . . . . . . . 98 PHE CB . 53375 1 248 . 1 . 1 98 98 PHE N N 15 114.059 . . . . . . . . 98 PHE N . 53375 1 249 . 1 . 1 99 99 ALA H H 1 7.392 . . . . . . . . 99 ALA H . 53375 1 250 . 1 . 1 99 99 ALA CA C 13 52.391 . . . . . . . . 99 ALA CA . 53375 1 251 . 1 . 1 99 99 ALA N N 15 118.614 . . . . . . . . 99 ALA N . 53375 1 252 . 1 . 1 101 101 SER CA C 13 61.402 . . . . . . . . 101 SER CA . 53375 1 253 . 1 . 1 101 101 SER CB C 13 64.695 . . . . . . . . 101 SER CB . 53375 1 254 . 1 . 1 102 102 GLY H H 1 8.729 . . . . . . . . 102 GLY H . 53375 1 255 . 1 . 1 102 102 GLY CA C 13 45.922 . . . . . . . . 102 GLY CA . 53375 1 256 . 1 . 1 102 102 GLY N N 15 109.369 . . . . . . . . 102 GLY N . 53375 1 257 . 1 . 1 103 103 SER H H 1 8.100 . . . . . . . . 103 SER H . 53375 1 258 . 1 . 1 103 103 SER CA C 13 58.477 . . . . . . . . 103 SER CA . 53375 1 259 . 1 . 1 103 103 SER N N 15 115.041 . . . . . . . . 103 SER N . 53375 1 260 . 1 . 1 108 108 LYS CA C 13 56.677 . . . . . . . . 108 LYS CA . 53375 1 261 . 1 . 1 108 108 LYS CB C 13 34.020 . . . . . . . . 108 LYS CB . 53375 1 262 . 1 . 1 109 109 THR H H 1 7.824 . . . . . . . . 109 THR H . 53375 1 263 . 1 . 1 109 109 THR CA C 13 59.083 . . . . . . . . 109 THR CA . 53375 1 264 . 1 . 1 109 109 THR CB C 13 72.858 . . . . . . . . 109 THR CB . 53375 1 265 . 1 . 1 109 109 THR N N 15 107.621 . . . . . . . . 109 THR N . 53375 1 266 . 1 . 1 110 110 MET H H 1 9.400 . . . . . . . . 110 MET H . 53375 1 267 . 1 . 1 110 110 MET CA C 13 58.824 . . . . . . . . 110 MET CA . 53375 1 268 . 1 . 1 110 110 MET N N 15 118.549 . . . . . . . . 110 MET N . 53375 1 269 . 1 . 1 112 112 GLU CA C 13 58.394 . . . . . . . . 112 GLU CA . 53375 1 270 . 1 . 1 112 112 GLU CB C 13 30.348 . . . . . . . . 112 GLU CB . 53375 1 271 . 1 . 1 113 113 ILE H H 1 7.255 . . . . . . . . 113 ILE H . 53375 1 272 . 1 . 1 113 113 ILE CA C 13 59.475 . . . . . . . . 113 ILE CA . 53375 1 273 . 1 . 1 113 113 ILE CB C 13 37.798 . . . . . . . . 113 ILE CB . 53375 1 274 . 1 . 1 113 113 ILE N N 15 107.691 . . . . . . . . 113 ILE N . 53375 1 275 . 1 . 1 114 114 GLY H H 1 7.203 . . . . . . . . 114 GLY H . 53375 1 276 . 1 . 1 114 114 GLY CA C 13 45.149 . . . . . . . . 114 GLY CA . 53375 1 277 . 1 . 1 114 114 GLY N N 15 101.542 . . . . . . . . 114 GLY N . 53375 1 278 . 1 . 1 115 115 ILE H H 1 7.616 . . . . . . . . 115 ILE H . 53375 1 279 . 1 . 1 115 115 ILE CA C 13 60.502 . . . . . . . . 115 ILE CA . 53375 1 280 . 1 . 1 115 115 ILE CB C 13 39.118 . . . . . . . . 115 ILE CB . 53375 1 281 . 1 . 1 115 115 ILE N N 15 121.424 . . . . . . . . 115 ILE N . 53375 1 282 . 1 . 1 116 116 THR H H 1 8.589 . . . . . . . . 116 THR H . 53375 1 283 . 1 . 1 116 116 THR CA C 13 59.269 . . . . . . . . 116 THR CA . 53375 1 284 . 1 . 1 116 116 THR N N 15 116.263 . . . . . . . . 116 THR N . 53375 1 285 . 1 . 1 120 120 THR CA C 13 63.350 . . . . . . . . 120 THR CA . 53375 1 286 . 1 . 1 120 120 THR CB C 13 68.896 . . . . . . . . 120 THR CB . 53375 1 287 . 1 . 1 121 121 SER H H 1 8.497 . . . . . . . . 121 SER H . 53375 1 288 . 1 . 1 121 121 SER CA C 13 59.296 . . . . . . . . 121 SER CA . 53375 1 289 . 1 . 1 121 121 SER CB C 13 65.430 . . . . . . . . 121 SER CB . 53375 1 290 . 1 . 1 121 121 SER N N 15 116.371 . . . . . . . . 121 SER N . 53375 1 291 . 1 . 1 122 122 GLY H H 1 8.181 . . . . . . . . 122 GLY H . 53375 1 292 . 1 . 1 122 122 GLY CA C 13 45.570 . . . . . . . . 122 GLY CA . 53375 1 293 . 1 . 1 122 122 GLY N N 15 110.128 . . . . . . . . 122 GLY N . 53375 1 294 . 1 . 1 123 123 LYS H H 1 7.842 . . . . . . . . 123 LYS H . 53375 1 295 . 1 . 1 123 123 LYS CA C 13 57.298 . . . . . . . . 123 LYS CA . 53375 1 296 . 1 . 1 123 123 LYS CB C 13 33.813 . . . . . . . . 123 LYS CB . 53375 1 297 . 1 . 1 123 123 LYS N N 15 119.005 . . . . . . . . 123 LYS N . 53375 1 298 . 1 . 1 124 124 LEU H H 1 9.722 . . . . . . . . 124 LEU H . 53375 1 299 . 1 . 1 124 124 LEU CA C 13 53.461 . . . . . . . . 124 LEU CA . 53375 1 300 . 1 . 1 124 124 LEU CB C 13 44.532 . . . . . . . . 124 LEU CB . 53375 1 301 . 1 . 1 124 124 LEU N N 15 120.587 . . . . . . . . 124 LEU N . 53375 1 302 . 1 . 1 125 125 LYS H H 1 9.164 . . . . . . . . 125 LYS H . 53375 1 303 . 1 . 1 125 125 LYS CA C 13 54.703 . . . . . . . . 125 LYS CA . 53375 1 304 . 1 . 1 125 125 LYS CB C 13 35.526 . . . . . . . . 125 LYS CB . 53375 1 305 . 1 . 1 125 125 LYS N N 15 122.034 . . . . . . . . 125 LYS N . 53375 1 306 . 1 . 1 126 126 ILE H H 1 8.686 . . . . . . . . 126 ILE H . 53375 1 307 . 1 . 1 126 126 ILE CA C 13 60.690 . . . . . . . . 126 ILE CA . 53375 1 308 . 1 . 1 126 126 ILE CB C 13 40.806 . . . . . . . . 126 ILE CB . 53375 1 309 . 1 . 1 126 126 ILE N N 15 122.263 . . . . . . . . 126 ILE N . 53375 1 310 . 1 . 1 127 127 ASP H H 1 9.041 . . . . . . . . 127 ASP H . 53375 1 311 . 1 . 1 127 127 ASP CA C 13 52.473 . . . . . . . . 127 ASP CA . 53375 1 312 . 1 . 1 127 127 ASP CB C 13 40.689 . . . . . . . . 127 ASP CB . 53375 1 313 . 1 . 1 127 127 ASP N N 15 129.075 . . . . . . . . 127 ASP N . 53375 1 314 . 1 . 1 128 128 ASP H H 1 8.698 . . . . . . . . 128 ASP H . 53375 1 315 . 1 . 1 128 128 ASP CA C 13 58.406 . . . . . . . . 128 ASP CA . 53375 1 316 . 1 . 1 128 128 ASP N N 15 126.107 . . . . . . . . 128 ASP N . 53375 1 317 . 1 . 1 130 130 LYS CA C 13 58.945 . . . . . . . . 130 LYS CA . 53375 1 318 . 1 . 1 130 130 LYS CB C 13 32.658 . . . . . . . . 130 LYS CB . 53375 1 319 . 1 . 1 131 131 LEU H H 1 8.461 . . . . . . . . 131 LEU H . 53375 1 320 . 1 . 1 131 131 LEU CA C 13 57.989 . . . . . . . . 131 LEU CA . 53375 1 321 . 1 . 1 131 131 LEU CB C 13 41.385 . . . . . . . . 131 LEU CB . 53375 1 322 . 1 . 1 131 131 LEU N N 15 119.352 . . . . . . . . 131 LEU N . 53375 1 323 . 1 . 1 132 132 THR H H 1 8.150 . . . . . . . . 132 THR H . 53375 1 324 . 1 . 1 132 132 THR CA C 13 67.702 . . . . . . . . 132 THR CA . 53375 1 325 . 1 . 1 132 132 THR CB C 13 68.912 . . . . . . . . 132 THR CB . 53375 1 326 . 1 . 1 132 132 THR N N 15 113.660 . . . . . . . . 132 THR N . 53375 1 327 . 1 . 1 133 133 LYS H H 1 7.537 . . . . . . . . 133 LYS H . 53375 1 328 . 1 . 1 133 133 LYS CA C 13 59.839 . . . . . . . . 133 LYS CA . 53375 1 329 . 1 . 1 133 133 LYS CB C 13 32.687 . . . . . . . . 133 LYS CB . 53375 1 330 . 1 . 1 133 133 LYS N N 15 121.149 . . . . . . . . 133 LYS N . 53375 1 331 . 1 . 1 134 134 VAL H H 1 8.493 . . . . . . . . 134 VAL H . 53375 1 332 . 1 . 1 134 134 VAL CA C 13 66.083 . . . . . . . . 134 VAL CA . 53375 1 333 . 1 . 1 134 134 VAL CB C 13 31.553 . . . . . . . . 134 VAL CB . 53375 1 334 . 1 . 1 134 134 VAL N N 15 118.691 . . . . . . . . 134 VAL N . 53375 1 335 . 1 . 1 135 135 LEU H H 1 8.269 . . . . . . . . 135 LEU H . 53375 1 336 . 1 . 1 135 135 LEU CA C 13 57.194 . . . . . . . . 135 LEU CA . 53375 1 337 . 1 . 1 135 135 LEU CB C 13 41.464 . . . . . . . . 135 LEU CB . 53375 1 338 . 1 . 1 135 135 LEU N N 15 117.593 . . . . . . . . 135 LEU N . 53375 1 339 . 1 . 1 136 136 LYS H H 1 7.774 . . . . . . . . 136 LYS H . 53375 1 340 . 1 . 1 136 136 LYS CA C 13 59.018 . . . . . . . . 136 LYS CA . 53375 1 341 . 1 . 1 136 136 LYS CB C 13 33.134 . . . . . . . . 136 LYS CB . 53375 1 342 . 1 . 1 136 136 LYS N N 15 119.395 . . . . . . . . 136 LYS N . 53375 1 343 . 1 . 1 137 137 ASP H H 1 8.370 . . . . . . . . 137 ASP H . 53375 1 344 . 1 . 1 137 137 ASP CA C 13 55.874 . . . . . . . . 137 ASP CA . 53375 1 345 . 1 . 1 137 137 ASP CB C 13 42.204 . . . . . . . . 137 ASP CB . 53375 1 346 . 1 . 1 137 137 ASP N N 15 116.429 . . . . . . . . 137 ASP N . 53375 1 347 . 1 . 1 138 138 ASN H H 1 8.892 . . . . . . . . 138 ASN H . 53375 1 348 . 1 . 1 138 138 ASN CA C 13 52.379 . . . . . . . . 138 ASN CA . 53375 1 349 . 1 . 1 138 138 ASN CB C 13 39.790 . . . . . . . . 138 ASN CB . 53375 1 350 . 1 . 1 138 138 ASN N N 15 121.922 . . . . . . . . 138 ASN N . 53375 1 351 . 1 . 1 139 139 THR H H 1 8.033 . . . . . . . . 139 THR H . 53375 1 352 . 1 . 1 139 139 THR CA C 13 68.063 . . . . . . . . 139 THR CA . 53375 1 353 . 1 . 1 139 139 THR CB C 13 68.982 . . . . . . . . 139 THR CB . 53375 1 354 . 1 . 1 139 139 THR N N 15 115.762 . . . . . . . . 139 THR N . 53375 1 355 . 1 . 1 140 140 ALA H H 1 8.773 . . . . . . . . 140 ALA H . 53375 1 356 . 1 . 1 140 140 ALA CA C 13 55.475 . . . . . . . . 140 ALA CA . 53375 1 357 . 1 . 1 140 140 ALA CB C 13 17.750 . . . . . . . . 140 ALA CB . 53375 1 358 . 1 . 1 140 140 ALA N N 15 121.246 . . . . . . . . 140 ALA N . 53375 1 359 . 1 . 1 141 141 ALA H H 1 7.775 . . . . . . . . 141 ALA H . 53375 1 360 . 1 . 1 141 141 ALA CA C 13 54.518 . . . . . . . . 141 ALA CA . 53375 1 361 . 1 . 1 141 141 ALA N N 15 120.883 . . . . . . . . 141 ALA N . 53375 1 362 . 1 . 1 146 146 LEU CA C 13 58.093 . . . . . . . . 146 LEU CA . 53375 1 363 . 1 . 1 146 146 LEU CB C 13 43.471 . . . . . . . . 146 LEU CB . 53375 1 364 . 1 . 1 147 147 VAL H H 1 9.288 . . . . . . . . 147 VAL H . 53375 1 365 . 1 . 1 147 147 VAL CA C 13 63.502 . . . . . . . . 147 VAL CA . 53375 1 366 . 1 . 1 147 147 VAL CB C 13 33.431 . . . . . . . . 147 VAL CB . 53375 1 367 . 1 . 1 147 147 VAL N N 15 121.831 . . . . . . . . 147 VAL N . 53375 1 368 . 1 . 1 148 148 GLY H H 1 7.597 . . . . . . . . 148 GLY H . 53375 1 369 . 1 . 1 148 148 GLY CA C 13 46.508 . . . . . . . . 148 GLY CA . 53375 1 370 . 1 . 1 148 148 GLY N N 15 109.231 . . . . . . . . 148 GLY N . 53375 1 371 . 1 . 1 149 149 ASP CA C 13 52.843 . . . . . . . . 149 ASP CA . 53375 1 372 . 1 . 1 149 149 ASP CB C 13 40.613 . . . . . . . . 149 ASP CB . 53375 1 373 . 1 . 1 150 150 GLY H H 1 8.482 . . . . . . . . 150 GLY H . 53375 1 374 . 1 . 1 150 150 GLY CA C 13 46.467 . . . . . . . . 150 GLY CA . 53375 1 375 . 1 . 1 150 150 GLY N N 15 107.936 . . . . . . . . 150 GLY N . 53375 1 376 . 1 . 1 151 151 LYS H H 1 8.930 . . . . . . . . 151 LYS H . 53375 1 377 . 1 . 1 151 151 LYS CA C 13 57.734 . . . . . . . . 151 LYS CA . 53375 1 378 . 1 . 1 151 151 LYS CB C 13 36.032 . . . . . . . . 151 LYS CB . 53375 1 379 . 1 . 1 151 151 LYS N N 15 121.629 . . . . . . . . 151 LYS N . 53375 1 380 . 1 . 1 152 152 GLU H H 1 10.552 . . . . . . . . 152 GLU H . 53375 1 381 . 1 . 1 152 152 GLU CA C 13 56.785 . . . . . . . . 152 GLU CA . 53375 1 382 . 1 . 1 152 152 GLU N N 15 121.250 . . . . . . . . 152 GLU N . 53375 1 383 . 1 . 1 153 153 THR CA C 13 59.488 . . . . . . . . 153 THR CA . 53375 1 384 . 1 . 1 153 153 THR CB C 13 72.131 . . . . . . . . 153 THR CB . 53375 1 385 . 1 . 1 154 154 GLY H H 1 8.471 . . . . . . . . 154 GLY H . 53375 1 386 . 1 . 1 154 154 GLY CA C 13 43.151 . . . . . . . . 154 GLY CA . 53375 1 387 . 1 . 1 154 154 GLY N N 15 105.213 . . . . . . . . 154 GLY N . 53375 1 388 . 1 . 1 155 155 ILE H H 1 8.612 . . . . . . . . 155 ILE H . 53375 1 389 . 1 . 1 155 155 ILE CA C 13 67.413 . . . . . . . . 155 ILE CA . 53375 1 390 . 1 . 1 155 155 ILE CB C 13 40.625 . . . . . . . . 155 ILE CB . 53375 1 391 . 1 . 1 155 155 ILE N N 15 124.635 . . . . . . . . 155 ILE N . 53375 1 392 . 1 . 1 156 156 THR H H 1 9.020 . . . . . . . . 156 THR H . 53375 1 393 . 1 . 1 156 156 THR CA C 13 64.694 . . . . . . . . 156 THR CA . 53375 1 394 . 1 . 1 156 156 THR N N 15 106.653 . . . . . . . . 156 THR N . 53375 1 395 . 1 . 1 158 158 LYS CA C 13 59.268 . . . . . . . . 158 LYS CA . 53375 1 396 . 1 . 1 158 158 LYS CB C 13 32.484 . . . . . . . . 158 LYS CB . 53375 1 397 . 1 . 1 159 159 ILE H H 1 8.455 . . . . . . . . 159 ILE H . 53375 1 398 . 1 . 1 159 159 ILE CA C 13 66.522 . . . . . . . . 159 ILE CA . 53375 1 399 . 1 . 1 159 159 ILE CB C 13 37.815 . . . . . . . . 159 ILE CB . 53375 1 400 . 1 . 1 159 159 ILE N N 15 118.842 . . . . . . . . 159 ILE N . 53375 1 401 . 1 . 1 160 160 ALA H H 1 8.184 . . . . . . . . 160 ALA H . 53375 1 402 . 1 . 1 160 160 ALA CA C 13 55.221 . . . . . . . . 160 ALA CA . 53375 1 403 . 1 . 1 160 160 ALA CB C 13 17.796 . . . . . . . . 160 ALA CB . 53375 1 404 . 1 . 1 160 160 ALA N N 15 121.708 . . . . . . . . 160 ALA N . 53375 1 405 . 1 . 1 161 161 THR H H 1 7.692 . . . . . . . . 161 THR H . 53375 1 406 . 1 . 1 161 161 THR CA C 13 66.335 . . . . . . . . 161 THR CA . 53375 1 407 . 1 . 1 161 161 THR N N 15 115.386 . . . . . . . . 161 THR N . 53375 1 408 . 1 . 1 164 164 LYS H H 1 7.783 . . . . . . . . 164 LYS H . 53375 1 409 . 1 . 1 164 164 LYS CA C 13 59.716 . . . . . . . . 164 LYS CA . 53375 1 410 . 1 . 1 164 164 LYS CB C 13 32.434 . . . . . . . . 164 LYS CB . 53375 1 411 . 1 . 1 164 164 LYS N N 15 118.261 . . . . . . . . 164 LYS N . 53375 1 412 . 1 . 1 165 165 SER H H 1 7.232 . . . . . . . . 165 SER H . 53375 1 413 . 1 . 1 165 165 SER CA C 13 61.261 . . . . . . . . 165 SER CA . 53375 1 414 . 1 . 1 165 165 SER N N 15 114.014 . . . . . . . . 165 SER N . 53375 1 415 . 1 . 1 167 167 LEU CA C 13 54.866 . . . . . . . . 167 LEU CA . 53375 1 416 . 1 . 1 167 167 LEU CB C 13 43.348 . . . . . . . . 167 LEU CB . 53375 1 417 . 1 . 1 168 168 ALA H H 1 7.259 . . . . . . . . 168 ALA H . 53375 1 418 . 1 . 1 168 168 ALA CA C 13 52.513 . . . . . . . . 168 ALA CA . 53375 1 419 . 1 . 1 168 168 ALA CB C 13 19.948 . . . . . . . . 168 ALA CB . 53375 1 420 . 1 . 1 168 168 ALA N N 15 123.039 . . . . . . . . 168 ALA N . 53375 1 421 . 1 . 1 169 169 ASP H H 1 8.682 . . . . . . . . 169 ASP H . 53375 1 422 . 1 . 1 169 169 ASP CA C 13 55.839 . . . . . . . . 169 ASP CA . 53375 1 423 . 1 . 1 169 169 ASP N N 15 122.625 . . . . . . . . 169 ASP N . 53375 1 424 . 1 . 1 170 170 ASP CA C 13 54.792 . . . . . . . . 170 ASP CA . 53375 1 425 . 1 . 1 170 170 ASP CB C 13 40.063 . . . . . . . . 170 ASP CB . 53375 1 426 . 1 . 1 171 171 GLY H H 1 8.056 . . . . . . . . 171 GLY H . 53375 1 427 . 1 . 1 171 171 GLY CA C 13 44.986 . . . . . . . . 171 GLY CA . 53375 1 428 . 1 . 1 171 171 GLY N N 15 106.671 . . . . . . . . 171 GLY N . 53375 1 429 . 1 . 1 172 172 ILE H H 1 8.348 . . . . . . . . 172 ILE H . 53375 1 430 . 1 . 1 172 172 ILE CA C 13 64.456 . . . . . . . . 172 ILE CA . 53375 1 431 . 1 . 1 172 172 ILE CB C 13 38.562 . . . . . . . . 172 ILE CB . 53375 1 432 . 1 . 1 172 172 ILE N N 15 113.989 . . . . . . . . 172 ILE N . 53375 1 433 . 1 . 1 173 173 ILE H H 1 7.276 . . . . . . . . 173 ILE H . 53375 1 434 . 1 . 1 173 173 ILE CA C 13 64.244 . . . . . . . . 173 ILE CA . 53375 1 435 . 1 . 1 173 173 ILE CB C 13 37.331 . . . . . . . . 173 ILE CB . 53375 1 436 . 1 . 1 173 173 ILE N N 15 119.864 . . . . . . . . 173 ILE N . 53375 1 437 . 1 . 1 174 174 ASP H H 1 8.483 . . . . . . . . 174 ASP H . 53375 1 438 . 1 . 1 174 174 ASP CA C 13 56.644 . . . . . . . . 174 ASP CA . 53375 1 439 . 1 . 1 174 174 ASP CB C 13 41.139 . . . . . . . . 174 ASP CB . 53375 1 440 . 1 . 1 174 174 ASP N N 15 122.269 . . . . . . . . 174 ASP N . 53375 1 441 . 1 . 1 175 175 ASN H H 1 8.237 . . . . . . . . 175 ASN H . 53375 1 442 . 1 . 1 175 175 ASN CA C 13 54.638 . . . . . . . . 175 ASN CA . 53375 1 443 . 1 . 1 175 175 ASN CB C 13 39.204 . . . . . . . . 175 ASN CB . 53375 1 444 . 1 . 1 175 175 ASN N N 15 115.907 . . . . . . . . 175 ASN N . 53375 1 445 . 1 . 1 176 176 ALA H H 1 7.595 . . . . . . . . 176 ALA H . 53375 1 446 . 1 . 1 176 176 ALA CA C 13 53.992 . . . . . . . . 176 ALA CA . 53375 1 447 . 1 . 1 176 176 ALA CB C 13 18.548 . . . . . . . . 176 ALA CB . 53375 1 448 . 1 . 1 176 176 ALA N N 15 123.027 . . . . . . . . 176 ALA N . 53375 1 449 . 1 . 1 177 177 GLN H H 1 8.031 . . . . . . . . 177 GLN H . 53375 1 450 . 1 . 1 177 177 GLN CA C 13 57.203 . . . . . . . . 177 GLN CA . 53375 1 451 . 1 . 1 177 177 GLN CB C 13 29.567 . . . . . . . . 177 GLN CB . 53375 1 452 . 1 . 1 177 177 GLN N N 15 117.262 . . . . . . . . 177 GLN N . 53375 1 453 . 1 . 1 178 178 ASP H H 1 8.061 . . . . . . . . 178 ASP H . 53375 1 454 . 1 . 1 178 178 ASP CA C 13 55.036 . . . . . . . . 178 ASP CA . 53375 1 455 . 1 . 1 178 178 ASP CB C 13 41.213 . . . . . . . . 178 ASP CB . 53375 1 456 . 1 . 1 178 178 ASP N N 15 119.805 . . . . . . . . 178 ASP N . 53375 1 457 . 1 . 1 179 179 ASN H H 1 8.043 . . . . . . . . 179 ASN H . 53375 1 458 . 1 . 1 179 179 ASN CA C 13 53.499 . . . . . . . . 179 ASN CA . 53375 1 459 . 1 . 1 179 179 ASN CB C 13 39.283 . . . . . . . . 179 ASN CB . 53375 1 460 . 1 . 1 179 179 ASN N N 15 118.147 . . . . . . . . 179 ASN N . 53375 1 461 . 1 . 1 180 180 VAL H H 1 7.915 . . . . . . . . 180 VAL H . 53375 1 462 . 1 . 1 180 180 VAL CA C 13 62.995 . . . . . . . . 180 VAL CA . 53375 1 463 . 1 . 1 180 180 VAL CB C 13 32.399 . . . . . . . . 180 VAL CB . 53375 1 464 . 1 . 1 180 180 VAL N N 15 119.184 . . . . . . . . 180 VAL N . 53375 1 465 . 1 . 1 181 181 ASN H H 1 8.346 . . . . . . . . 181 ASN H . 53375 1 466 . 1 . 1 181 181 ASN CA C 13 53.167 . . . . . . . . 181 ASN CA . 53375 1 467 . 1 . 1 181 181 ASN CB C 13 39.341 . . . . . . . . 181 ASN CB . 53375 1 468 . 1 . 1 181 181 ASN N N 15 121.559 . . . . . . . . 181 ASN N . 53375 1 469 . 1 . 1 182 182 ALA H H 1 7.767 . . . . . . . . 182 ALA H . 53375 1 470 . 1 . 1 182 182 ALA CA C 13 54.034 . . . . . . . . 182 ALA CA . 53375 1 471 . 1 . 1 182 182 ALA N N 15 129.682 . . . . . . . . 182 ALA N . 53375 1 stop_ save_