data_51100 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51100 _Entry.Title ; Methyl resonance assignments of beta-2 microglobulin in complex with HLA-B*44:05T73C/EEFGRC and tapasin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-09-24 _Entry.Accession_date 2021-09-24 _Entry.Last_release_date 2021-09-24 _Entry.Original_release_date 2021-09-24 _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 . _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 Hau Truong . V. . 0000-0002-0059-2793 51100 2 Nikolaos Sgourakis . G. . 0000-0003-3655-3902 51100 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51100 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 18 51100 '1H chemical shifts' 54 51100 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 . . 2022-10-12 . original BMRB . 51100 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51097 'Free Human Beta-2 microglobulin backbone and methyl assignment' 51100 BMRB 51098 'HLA-B*44:05 with EEFGRAFSF peptide in complex with human beta-2 microglobulin' 51100 BMRB 51099 'human beta-2 microglobulin in complex with HLA-B*44:05/EEFGRC methyls' 51100 BMRB 51101 'HLA-A*02:01/MART-1 Backbone Assignments' 51100 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51100 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36115831 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural mechanism of tapasin-mediated MHC-I peptide loading in antigen presentation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 13 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 5470 _Citation.Page_last 5470 _Citation.Year 2022 _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 Jiansheng Jiang J. . . . 51100 1 2 Daniel Taylor D. K. . . 51100 1 3 Ellen Kim E. J. . . 51100 1 4 Lisa Boyd L. F. . . 51100 1 5 Javeed Ahmad J. . . . 51100 1 6 Michael Mage M. G. . . 51100 1 7 Hau Truong H. V. . . 51100 1 8 Claire Woodward C. H. . . 51100 1 9 Nikolaos Sgourakis N. G. . . 51100 1 10 Peter Cresswell P. . . . 51100 1 11 David Margulies D. H. . . 51100 1 12 Kannan Natarajan K. . . . 51100 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51100 _Assembly.ID 1 _Assembly.Name MHC-I/tapasin _Assembly.BMRB_code . _Assembly.Number_of_components 4 _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 HLA-B*44:05 1 $entity_1 . . no native no no . . . 51100 1 2 'Beta-2 microglobulin' 2 $entity_2 . . yes native no no . . . 51100 1 3 peptide 3 $entity_3 . . no native no no . . . 51100 1 4 tapasin 4 $entity_4 . . no native no no . . . 51100 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 102 102 SG . 1 . 1 CYS 165 165 SG . . . 101 CYS SG . . . 164 CYS SG 51100 1 2 disulfide single . 1 . 1 CYS 204 204 SG . 1 . 1 CYS 260 260 SG . . . 203 CYS SG . . . 259 CYS SG 51100 1 3 disulfide single . 2 . 2 CYS 26 26 SG . 2 . 2 CYS 81 81 SG . . . 25 CYS SG . . . 80 CYS SG 51100 1 4 disulfide single . 1 . 1 CYS 74 74 SG . 3 . 3 CYS 6 6 SG . . . 73 CYS SG . . . 6 CYS SG 51100 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51100 _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 ; MGSHSMRYFYTAMSRPGRGE PRFITVGYVDDTLFVRFDSD ATSPRKEPRAPWIEQEGPEY WDRETQISKTNTQCYRENLR TALRYYNQSEAGSHIIQRMY GCDVGPDGRLLRGYDQYAYD GKDYIALNEDLSSWTAADTA AQITQRKWEAARVAEQDRAY LEGLCVESLRRYLENGKETL QRADPPKTHVTHHPISDHEV TLRCWALGFYPAEITLTWQR DGEDQTQDTELVETRPAGDR TFQKWAAVVVPSGEEQRYTC HVQHEGLPKPLTLRWEP ; _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 277 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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 0 MET . 51100 1 2 1 GLY . 51100 1 3 2 SER . 51100 1 4 3 HIS . 51100 1 5 4 SER . 51100 1 6 5 MET . 51100 1 7 6 ARG . 51100 1 8 7 TYR . 51100 1 9 8 PHE . 51100 1 10 9 TYR . 51100 1 11 10 THR . 51100 1 12 11 ALA . 51100 1 13 12 MET . 51100 1 14 13 SER . 51100 1 15 14 ARG . 51100 1 16 15 PRO . 51100 1 17 16 GLY . 51100 1 18 17 ARG . 51100 1 19 18 GLY . 51100 1 20 19 GLU . 51100 1 21 20 PRO . 51100 1 22 21 ARG . 51100 1 23 22 PHE . 51100 1 24 23 ILE . 51100 1 25 24 THR . 51100 1 26 25 VAL . 51100 1 27 26 GLY . 51100 1 28 27 TYR . 51100 1 29 28 VAL . 51100 1 30 29 ASP . 51100 1 31 30 ASP . 51100 1 32 31 THR . 51100 1 33 32 LEU . 51100 1 34 33 PHE . 51100 1 35 34 VAL . 51100 1 36 35 ARG . 51100 1 37 36 PHE . 51100 1 38 37 ASP . 51100 1 39 38 SER . 51100 1 40 39 ASP . 51100 1 41 40 ALA . 51100 1 42 41 THR . 51100 1 43 42 SER . 51100 1 44 43 PRO . 51100 1 45 44 ARG . 51100 1 46 45 LYS . 51100 1 47 46 GLU . 51100 1 48 47 PRO . 51100 1 49 48 ARG . 51100 1 50 49 ALA . 51100 1 51 50 PRO . 51100 1 52 51 TRP . 51100 1 53 52 ILE . 51100 1 54 53 GLU . 51100 1 55 54 GLN . 51100 1 56 55 GLU . 51100 1 57 56 GLY . 51100 1 58 57 PRO . 51100 1 59 58 GLU . 51100 1 60 59 TYR . 51100 1 61 60 TRP . 51100 1 62 61 ASP . 51100 1 63 62 ARG . 51100 1 64 63 GLU . 51100 1 65 64 THR . 51100 1 66 65 GLN . 51100 1 67 66 ILE . 51100 1 68 67 SER . 51100 1 69 68 LYS . 51100 1 70 69 THR . 51100 1 71 70 ASN . 51100 1 72 71 THR . 51100 1 73 72 GLN . 51100 1 74 73 CYS . 51100 1 75 74 TYR . 51100 1 76 75 ARG . 51100 1 77 76 GLU . 51100 1 78 77 ASN . 51100 1 79 78 LEU . 51100 1 80 79 ARG . 51100 1 81 80 THR . 51100 1 82 81 ALA . 51100 1 83 82 LEU . 51100 1 84 83 ARG . 51100 1 85 84 TYR . 51100 1 86 85 TYR . 51100 1 87 86 ASN . 51100 1 88 87 GLN . 51100 1 89 88 SER . 51100 1 90 89 GLU . 51100 1 91 90 ALA . 51100 1 92 91 GLY . 51100 1 93 92 SER . 51100 1 94 93 HIS . 51100 1 95 94 ILE . 51100 1 96 95 ILE . 51100 1 97 96 GLN . 51100 1 98 97 ARG . 51100 1 99 98 MET . 51100 1 100 99 TYR . 51100 1 101 100 GLY . 51100 1 102 101 CYS . 51100 1 103 102 ASP . 51100 1 104 103 VAL . 51100 1 105 104 GLY . 51100 1 106 105 PRO . 51100 1 107 106 ASP . 51100 1 108 107 GLY . 51100 1 109 108 ARG . 51100 1 110 109 LEU . 51100 1 111 110 LEU . 51100 1 112 111 ARG . 51100 1 113 112 GLY . 51100 1 114 113 TYR . 51100 1 115 114 ASP . 51100 1 116 115 GLN . 51100 1 117 116 TYR . 51100 1 118 117 ALA . 51100 1 119 118 TYR . 51100 1 120 119 ASP . 51100 1 121 120 GLY . 51100 1 122 121 LYS . 51100 1 123 122 ASP . 51100 1 124 123 TYR . 51100 1 125 124 ILE . 51100 1 126 125 ALA . 51100 1 127 126 LEU . 51100 1 128 127 ASN . 51100 1 129 128 GLU . 51100 1 130 129 ASP . 51100 1 131 130 LEU . 51100 1 132 131 SER . 51100 1 133 132 SER . 51100 1 134 133 TRP . 51100 1 135 134 THR . 51100 1 136 135 ALA . 51100 1 137 136 ALA . 51100 1 138 137 ASP . 51100 1 139 138 THR . 51100 1 140 139 ALA . 51100 1 141 140 ALA . 51100 1 142 141 GLN . 51100 1 143 142 ILE . 51100 1 144 143 THR . 51100 1 145 144 GLN . 51100 1 146 145 ARG . 51100 1 147 146 LYS . 51100 1 148 147 TRP . 51100 1 149 148 GLU . 51100 1 150 149 ALA . 51100 1 151 150 ALA . 51100 1 152 151 ARG . 51100 1 153 152 VAL . 51100 1 154 153 ALA . 51100 1 155 154 GLU . 51100 1 156 155 GLN . 51100 1 157 156 ASP . 51100 1 158 157 ARG . 51100 1 159 158 ALA . 51100 1 160 159 TYR . 51100 1 161 160 LEU . 51100 1 162 161 GLU . 51100 1 163 162 GLY . 51100 1 164 163 LEU . 51100 1 165 164 CYS . 51100 1 166 165 VAL . 51100 1 167 166 GLU . 51100 1 168 167 SER . 51100 1 169 168 LEU . 51100 1 170 169 ARG . 51100 1 171 170 ARG . 51100 1 172 171 TYR . 51100 1 173 172 LEU . 51100 1 174 173 GLU . 51100 1 175 174 ASN . 51100 1 176 175 GLY . 51100 1 177 176 LYS . 51100 1 178 177 GLU . 51100 1 179 178 THR . 51100 1 180 179 LEU . 51100 1 181 180 GLN . 51100 1 182 181 ARG . 51100 1 183 182 ALA . 51100 1 184 183 ASP . 51100 1 185 184 PRO . 51100 1 186 185 PRO . 51100 1 187 186 LYS . 51100 1 188 187 THR . 51100 1 189 188 HIS . 51100 1 190 189 VAL . 51100 1 191 190 THR . 51100 1 192 191 HIS . 51100 1 193 192 HIS . 51100 1 194 193 PRO . 51100 1 195 194 ILE . 51100 1 196 195 SER . 51100 1 197 196 ASP . 51100 1 198 197 HIS . 51100 1 199 198 GLU . 51100 1 200 199 VAL . 51100 1 201 200 THR . 51100 1 202 201 LEU . 51100 1 203 202 ARG . 51100 1 204 203 CYS . 51100 1 205 204 TRP . 51100 1 206 205 ALA . 51100 1 207 206 LEU . 51100 1 208 207 GLY . 51100 1 209 208 PHE . 51100 1 210 209 TYR . 51100 1 211 210 PRO . 51100 1 212 211 ALA . 51100 1 213 212 GLU . 51100 1 214 213 ILE . 51100 1 215 214 THR . 51100 1 216 215 LEU . 51100 1 217 216 THR . 51100 1 218 217 TRP . 51100 1 219 218 GLN . 51100 1 220 219 ARG . 51100 1 221 220 ASP . 51100 1 222 221 GLY . 51100 1 223 222 GLU . 51100 1 224 223 ASP . 51100 1 225 224 GLN . 51100 1 226 225 THR . 51100 1 227 226 GLN . 51100 1 228 227 ASP . 51100 1 229 228 THR . 51100 1 230 229 GLU . 51100 1 231 230 LEU . 51100 1 232 231 VAL . 51100 1 233 232 GLU . 51100 1 234 233 THR . 51100 1 235 234 ARG . 51100 1 236 235 PRO . 51100 1 237 236 ALA . 51100 1 238 237 GLY . 51100 1 239 238 ASP . 51100 1 240 239 ARG . 51100 1 241 240 THR . 51100 1 242 241 PHE . 51100 1 243 242 GLN . 51100 1 244 243 LYS . 51100 1 245 244 TRP . 51100 1 246 245 ALA . 51100 1 247 246 ALA . 51100 1 248 247 VAL . 51100 1 249 248 VAL . 51100 1 250 249 VAL . 51100 1 251 250 PRO . 51100 1 252 251 SER . 51100 1 253 252 GLY . 51100 1 254 253 GLU . 51100 1 255 254 GLU . 51100 1 256 255 GLN . 51100 1 257 256 ARG . 51100 1 258 257 TYR . 51100 1 259 258 THR . 51100 1 260 259 CYS . 51100 1 261 260 HIS . 51100 1 262 261 VAL . 51100 1 263 262 GLN . 51100 1 264 263 HIS . 51100 1 265 264 GLU . 51100 1 266 265 GLY . 51100 1 267 266 LEU . 51100 1 268 267 PRO . 51100 1 269 268 LYS . 51100 1 270 269 PRO . 51100 1 271 270 LEU . 51100 1 272 271 THR . 51100 1 273 272 LEU . 51100 1 274 273 ARG . 51100 1 275 274 TRP . 51100 1 276 275 GLU . 51100 1 277 276 PRO . 51100 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 51100 1 . GLY 2 2 51100 1 . SER 3 3 51100 1 . HIS 4 4 51100 1 . SER 5 5 51100 1 . MET 6 6 51100 1 . ARG 7 7 51100 1 . TYR 8 8 51100 1 . PHE 9 9 51100 1 . TYR 10 10 51100 1 . THR 11 11 51100 1 . ALA 12 12 51100 1 . MET 13 13 51100 1 . SER 14 14 51100 1 . ARG 15 15 51100 1 . PRO 16 16 51100 1 . GLY 17 17 51100 1 . ARG 18 18 51100 1 . GLY 19 19 51100 1 . GLU 20 20 51100 1 . PRO 21 21 51100 1 . ARG 22 22 51100 1 . PHE 23 23 51100 1 . ILE 24 24 51100 1 . THR 25 25 51100 1 . VAL 26 26 51100 1 . GLY 27 27 51100 1 . TYR 28 28 51100 1 . VAL 29 29 51100 1 . ASP 30 30 51100 1 . ASP 31 31 51100 1 . THR 32 32 51100 1 . LEU 33 33 51100 1 . PHE 34 34 51100 1 . VAL 35 35 51100 1 . ARG 36 36 51100 1 . PHE 37 37 51100 1 . ASP 38 38 51100 1 . SER 39 39 51100 1 . ASP 40 40 51100 1 . ALA 41 41 51100 1 . THR 42 42 51100 1 . SER 43 43 51100 1 . PRO 44 44 51100 1 . ARG 45 45 51100 1 . LYS 46 46 51100 1 . GLU 47 47 51100 1 . PRO 48 48 51100 1 . ARG 49 49 51100 1 . ALA 50 50 51100 1 . PRO 51 51 51100 1 . TRP 52 52 51100 1 . ILE 53 53 51100 1 . GLU 54 54 51100 1 . GLN 55 55 51100 1 . GLU 56 56 51100 1 . GLY 57 57 51100 1 . PRO 58 58 51100 1 . GLU 59 59 51100 1 . TYR 60 60 51100 1 . TRP 61 61 51100 1 . ASP 62 62 51100 1 . ARG 63 63 51100 1 . GLU 64 64 51100 1 . THR 65 65 51100 1 . GLN 66 66 51100 1 . ILE 67 67 51100 1 . SER 68 68 51100 1 . LYS 69 69 51100 1 . THR 70 70 51100 1 . ASN 71 71 51100 1 . THR 72 72 51100 1 . GLN 73 73 51100 1 . CYS 74 74 51100 1 . TYR 75 75 51100 1 . ARG 76 76 51100 1 . GLU 77 77 51100 1 . ASN 78 78 51100 1 . LEU 79 79 51100 1 . ARG 80 80 51100 1 . THR 81 81 51100 1 . ALA 82 82 51100 1 . LEU 83 83 51100 1 . ARG 84 84 51100 1 . TYR 85 85 51100 1 . TYR 86 86 51100 1 . ASN 87 87 51100 1 . GLN 88 88 51100 1 . SER 89 89 51100 1 . GLU 90 90 51100 1 . ALA 91 91 51100 1 . GLY 92 92 51100 1 . SER 93 93 51100 1 . HIS 94 94 51100 1 . ILE 95 95 51100 1 . ILE 96 96 51100 1 . GLN 97 97 51100 1 . ARG 98 98 51100 1 . MET 99 99 51100 1 . TYR 100 100 51100 1 . GLY 101 101 51100 1 . CYS 102 102 51100 1 . ASP 103 103 51100 1 . VAL 104 104 51100 1 . GLY 105 105 51100 1 . PRO 106 106 51100 1 . ASP 107 107 51100 1 . GLY 108 108 51100 1 . ARG 109 109 51100 1 . LEU 110 110 51100 1 . LEU 111 111 51100 1 . ARG 112 112 51100 1 . GLY 113 113 51100 1 . TYR 114 114 51100 1 . ASP 115 115 51100 1 . GLN 116 116 51100 1 . TYR 117 117 51100 1 . ALA 118 118 51100 1 . TYR 119 119 51100 1 . ASP 120 120 51100 1 . GLY 121 121 51100 1 . LYS 122 122 51100 1 . ASP 123 123 51100 1 . TYR 124 124 51100 1 . ILE 125 125 51100 1 . ALA 126 126 51100 1 . LEU 127 127 51100 1 . ASN 128 128 51100 1 . GLU 129 129 51100 1 . ASP 130 130 51100 1 . LEU 131 131 51100 1 . SER 132 132 51100 1 . SER 133 133 51100 1 . TRP 134 134 51100 1 . THR 135 135 51100 1 . ALA 136 136 51100 1 . ALA 137 137 51100 1 . ASP 138 138 51100 1 . THR 139 139 51100 1 . ALA 140 140 51100 1 . ALA 141 141 51100 1 . GLN 142 142 51100 1 . ILE 143 143 51100 1 . THR 144 144 51100 1 . GLN 145 145 51100 1 . ARG 146 146 51100 1 . LYS 147 147 51100 1 . TRP 148 148 51100 1 . GLU 149 149 51100 1 . ALA 150 150 51100 1 . ALA 151 151 51100 1 . ARG 152 152 51100 1 . VAL 153 153 51100 1 . ALA 154 154 51100 1 . GLU 155 155 51100 1 . GLN 156 156 51100 1 . ASP 157 157 51100 1 . ARG 158 158 51100 1 . ALA 159 159 51100 1 . TYR 160 160 51100 1 . LEU 161 161 51100 1 . GLU 162 162 51100 1 . GLY 163 163 51100 1 . LEU 164 164 51100 1 . CYS 165 165 51100 1 . VAL 166 166 51100 1 . GLU 167 167 51100 1 . SER 168 168 51100 1 . LEU 169 169 51100 1 . ARG 170 170 51100 1 . ARG 171 171 51100 1 . TYR 172 172 51100 1 . LEU 173 173 51100 1 . GLU 174 174 51100 1 . ASN 175 175 51100 1 . GLY 176 176 51100 1 . LYS 177 177 51100 1 . GLU 178 178 51100 1 . THR 179 179 51100 1 . LEU 180 180 51100 1 . GLN 181 181 51100 1 . ARG 182 182 51100 1 . ALA 183 183 51100 1 . ASP 184 184 51100 1 . PRO 185 185 51100 1 . PRO 186 186 51100 1 . LYS 187 187 51100 1 . THR 188 188 51100 1 . HIS 189 189 51100 1 . VAL 190 190 51100 1 . THR 191 191 51100 1 . HIS 192 192 51100 1 . HIS 193 193 51100 1 . PRO 194 194 51100 1 . ILE 195 195 51100 1 . SER 196 196 51100 1 . ASP 197 197 51100 1 . HIS 198 198 51100 1 . GLU 199 199 51100 1 . VAL 200 200 51100 1 . THR 201 201 51100 1 . LEU 202 202 51100 1 . ARG 203 203 51100 1 . CYS 204 204 51100 1 . TRP 205 205 51100 1 . ALA 206 206 51100 1 . LEU 207 207 51100 1 . GLY 208 208 51100 1 . PHE 209 209 51100 1 . TYR 210 210 51100 1 . PRO 211 211 51100 1 . ALA 212 212 51100 1 . GLU 213 213 51100 1 . ILE 214 214 51100 1 . THR 215 215 51100 1 . LEU 216 216 51100 1 . THR 217 217 51100 1 . TRP 218 218 51100 1 . GLN 219 219 51100 1 . ARG 220 220 51100 1 . ASP 221 221 51100 1 . GLY 222 222 51100 1 . GLU 223 223 51100 1 . ASP 224 224 51100 1 . GLN 225 225 51100 1 . THR 226 226 51100 1 . GLN 227 227 51100 1 . ASP 228 228 51100 1 . THR 229 229 51100 1 . GLU 230 230 51100 1 . LEU 231 231 51100 1 . VAL 232 232 51100 1 . GLU 233 233 51100 1 . THR 234 234 51100 1 . ARG 235 235 51100 1 . PRO 236 236 51100 1 . ALA 237 237 51100 1 . GLY 238 238 51100 1 . ASP 239 239 51100 1 . ARG 240 240 51100 1 . THR 241 241 51100 1 . PHE 242 242 51100 1 . GLN 243 243 51100 1 . LYS 244 244 51100 1 . TRP 245 245 51100 1 . ALA 246 246 51100 1 . ALA 247 247 51100 1 . VAL 248 248 51100 1 . VAL 249 249 51100 1 . VAL 250 250 51100 1 . PRO 251 251 51100 1 . SER 252 252 51100 1 . GLY 253 253 51100 1 . GLU 254 254 51100 1 . GLU 255 255 51100 1 . GLN 256 256 51100 1 . ARG 257 257 51100 1 . TYR 258 258 51100 1 . THR 259 259 51100 1 . CYS 260 260 51100 1 . HIS 261 261 51100 1 . VAL 262 262 51100 1 . GLN 263 263 51100 1 . HIS 264 264 51100 1 . GLU 265 265 51100 1 . GLY 266 266 51100 1 . LEU 267 267 51100 1 . PRO 268 268 51100 1 . LYS 269 269 51100 1 . PRO 270 270 51100 1 . LEU 271 271 51100 1 . THR 272 272 51100 1 . LEU 273 273 51100 1 . ARG 274 274 51100 1 . TRP 275 275 51100 1 . GLU 276 276 51100 1 . PRO 277 277 51100 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 51100 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _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 ; MIQRTPKIQVYSRHPAENGK SNFLNCYVSGFHPSDIEVDL LKNGERIEKVEHSDLSFSKD WSFYLLYYTEFTPTEKDEYA CRVNHVTLSQPKIVKWDRDM ; _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 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 0 MET . 51100 2 2 1 ILE . 51100 2 3 2 GLN . 51100 2 4 3 ARG . 51100 2 5 4 THR . 51100 2 6 5 PRO . 51100 2 7 6 LYS . 51100 2 8 7 ILE . 51100 2 9 8 GLN . 51100 2 10 9 VAL . 51100 2 11 10 TYR . 51100 2 12 11 SER . 51100 2 13 12 ARG . 51100 2 14 13 HIS . 51100 2 15 14 PRO . 51100 2 16 15 ALA . 51100 2 17 16 GLU . 51100 2 18 17 ASN . 51100 2 19 18 GLY . 51100 2 20 19 LYS . 51100 2 21 20 SER . 51100 2 22 21 ASN . 51100 2 23 22 PHE . 51100 2 24 23 LEU . 51100 2 25 24 ASN . 51100 2 26 25 CYS . 51100 2 27 26 TYR . 51100 2 28 27 VAL . 51100 2 29 28 SER . 51100 2 30 29 GLY . 51100 2 31 30 PHE . 51100 2 32 31 HIS . 51100 2 33 32 PRO . 51100 2 34 33 SER . 51100 2 35 34 ASP . 51100 2 36 35 ILE . 51100 2 37 36 GLU . 51100 2 38 37 VAL . 51100 2 39 38 ASP . 51100 2 40 39 LEU . 51100 2 41 40 LEU . 51100 2 42 41 LYS . 51100 2 43 42 ASN . 51100 2 44 43 GLY . 51100 2 45 44 GLU . 51100 2 46 45 ARG . 51100 2 47 46 ILE . 51100 2 48 47 GLU . 51100 2 49 48 LYS . 51100 2 50 49 VAL . 51100 2 51 50 GLU . 51100 2 52 51 HIS . 51100 2 53 52 SER . 51100 2 54 53 ASP . 51100 2 55 54 LEU . 51100 2 56 55 SER . 51100 2 57 56 PHE . 51100 2 58 57 SER . 51100 2 59 58 LYS . 51100 2 60 59 ASP . 51100 2 61 60 TRP . 51100 2 62 61 SER . 51100 2 63 62 PHE . 51100 2 64 63 TYR . 51100 2 65 64 LEU . 51100 2 66 65 LEU . 51100 2 67 66 TYR . 51100 2 68 67 TYR . 51100 2 69 68 THR . 51100 2 70 69 GLU . 51100 2 71 70 PHE . 51100 2 72 71 THR . 51100 2 73 72 PRO . 51100 2 74 73 THR . 51100 2 75 74 GLU . 51100 2 76 75 LYS . 51100 2 77 76 ASP . 51100 2 78 77 GLU . 51100 2 79 78 TYR . 51100 2 80 79 ALA . 51100 2 81 80 CYS . 51100 2 82 81 ARG . 51100 2 83 82 VAL . 51100 2 84 83 ASN . 51100 2 85 84 HIS . 51100 2 86 85 VAL . 51100 2 87 86 THR . 51100 2 88 87 LEU . 51100 2 89 88 SER . 51100 2 90 89 GLN . 51100 2 91 90 PRO . 51100 2 92 91 LYS . 51100 2 93 92 ILE . 51100 2 94 93 VAL . 51100 2 95 94 LYS . 51100 2 96 95 TRP . 51100 2 97 96 ASP . 51100 2 98 97 ARG . 51100 2 99 98 ASP . 51100 2 100 99 MET . 51100 2 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 51100 2 . ILE 2 2 51100 2 . GLN 3 3 51100 2 . ARG 4 4 51100 2 . THR 5 5 51100 2 . PRO 6 6 51100 2 . LYS 7 7 51100 2 . ILE 8 8 51100 2 . GLN 9 9 51100 2 . VAL 10 10 51100 2 . TYR 11 11 51100 2 . SER 12 12 51100 2 . ARG 13 13 51100 2 . HIS 14 14 51100 2 . PRO 15 15 51100 2 . ALA 16 16 51100 2 . GLU 17 17 51100 2 . ASN 18 18 51100 2 . GLY 19 19 51100 2 . LYS 20 20 51100 2 . SER 21 21 51100 2 . ASN 22 22 51100 2 . PHE 23 23 51100 2 . LEU 24 24 51100 2 . ASN 25 25 51100 2 . CYS 26 26 51100 2 . TYR 27 27 51100 2 . VAL 28 28 51100 2 . SER 29 29 51100 2 . GLY 30 30 51100 2 . PHE 31 31 51100 2 . HIS 32 32 51100 2 . PRO 33 33 51100 2 . SER 34 34 51100 2 . ASP 35 35 51100 2 . ILE 36 36 51100 2 . GLU 37 37 51100 2 . VAL 38 38 51100 2 . ASP 39 39 51100 2 . LEU 40 40 51100 2 . LEU 41 41 51100 2 . LYS 42 42 51100 2 . ASN 43 43 51100 2 . GLY 44 44 51100 2 . GLU 45 45 51100 2 . ARG 46 46 51100 2 . ILE 47 47 51100 2 . GLU 48 48 51100 2 . LYS 49 49 51100 2 . VAL 50 50 51100 2 . GLU 51 51 51100 2 . HIS 52 52 51100 2 . SER 53 53 51100 2 . ASP 54 54 51100 2 . LEU 55 55 51100 2 . SER 56 56 51100 2 . PHE 57 57 51100 2 . SER 58 58 51100 2 . LYS 59 59 51100 2 . ASP 60 60 51100 2 . TRP 61 61 51100 2 . SER 62 62 51100 2 . PHE 63 63 51100 2 . TYR 64 64 51100 2 . LEU 65 65 51100 2 . LEU 66 66 51100 2 . TYR 67 67 51100 2 . TYR 68 68 51100 2 . THR 69 69 51100 2 . GLU 70 70 51100 2 . PHE 71 71 51100 2 . THR 72 72 51100 2 . PRO 73 73 51100 2 . THR 74 74 51100 2 . GLU 75 75 51100 2 . LYS 76 76 51100 2 . ASP 77 77 51100 2 . GLU 78 78 51100 2 . TYR 79 79 51100 2 . ALA 80 80 51100 2 . CYS 81 81 51100 2 . ARG 82 82 51100 2 . VAL 83 83 51100 2 . ASN 84 84 51100 2 . HIS 85 85 51100 2 . VAL 86 86 51100 2 . THR 87 87 51100 2 . LEU 88 88 51100 2 . SER 89 89 51100 2 . GLN 90 90 51100 2 . PRO 91 91 51100 2 . LYS 92 92 51100 2 . ILE 93 93 51100 2 . VAL 94 94 51100 2 . LYS 95 95 51100 2 . TRP 96 96 51100 2 . ASP 97 97 51100 2 . ARG 98 98 51100 2 . ASP 99 99 51100 2 . MET 100 100 51100 2 stop_ save_ save_entity_3 _Entity.Sf_category entity _Entity.Sf_framecode entity_3 _Entity.Entry_ID 51100 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name entity_3 _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 ; EEFGRC ; _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 6 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID 3 _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 . GLU . 51100 3 2 . GLU . 51100 3 3 . PHE . 51100 3 4 . GLY . 51100 3 5 . ARG . 51100 3 6 . CYS . 51100 3 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 . GLU 1 1 51100 3 . GLU 2 2 51100 3 . PHE 3 3 51100 3 . GLY 4 4 51100 3 . ARG 5 5 51100 3 . CYS 6 6 51100 3 stop_ save_ save_entity_4 _Entity.Sf_category entity _Entity.Sf_framecode entity_4 _Entity.Entry_ID 51100 _Entity.ID 4 _Entity.BMRB_code . _Entity.Name entity_4 _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 ; EDASGKGLAKRPGALLLRQG PGEPPPRPDLDPDLYLSVHD PAGALQAAFRRYPRGAPAPH CEMSRFVPLPASAKWASGLT PAQNCPRALDGAWLMVSISS PVLSLSSLLRPQPEPQQEPV LITMATVVLTVLTHTPAPRV RLGQDALLDLSFAYMPPTSE AASSLAPGPPPFGLEWRRQH LGKGHLLLAATPGLNGQMPA AQEGAVAFAAWDDDEPWGPW TGNGTFWLPRVQPFQEGTYL ATIHLPYLQGQVTLELAVYK PPKVSLMPATLARAAPGEAP PELLCLVSHFYPSGGLEVEW ELRGGPGGRSQKAEGQRWLS ALRHHSDGSVSLSGHLQPPP VTTEQHGARYACRIHHPSLP ASGRSAEVTLEGGLEVLFQG PGGGLNDIFEAQKIEWHEGG HHHHHH ; _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 406 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 4 _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 . GLU . 51100 4 2 . ASP . 51100 4 3 . ALA . 51100 4 4 . SER . 51100 4 5 . GLY . 51100 4 6 . LYS . 51100 4 7 . GLY . 51100 4 8 . LEU . 51100 4 9 . ALA . 51100 4 10 . LYS . 51100 4 11 . ARG . 51100 4 12 . PRO . 51100 4 13 . GLY . 51100 4 14 . ALA . 51100 4 15 . LEU . 51100 4 16 . LEU . 51100 4 17 . LEU . 51100 4 18 . ARG . 51100 4 19 . GLN . 51100 4 20 . GLY . 51100 4 21 . PRO . 51100 4 22 . GLY . 51100 4 23 . GLU . 51100 4 24 . PRO . 51100 4 25 . PRO . 51100 4 26 . PRO . 51100 4 27 . ARG . 51100 4 28 . PRO . 51100 4 29 . ASP . 51100 4 30 . LEU . 51100 4 31 . ASP . 51100 4 32 . PRO . 51100 4 33 . ASP . 51100 4 34 . LEU . 51100 4 35 . TYR . 51100 4 36 . LEU . 51100 4 37 . SER . 51100 4 38 . VAL . 51100 4 39 . HIS . 51100 4 40 . ASP . 51100 4 41 . PRO . 51100 4 42 . ALA . 51100 4 43 . GLY . 51100 4 44 . ALA . 51100 4 45 . LEU . 51100 4 46 . GLN . 51100 4 47 . ALA . 51100 4 48 . ALA . 51100 4 49 . PHE . 51100 4 50 . ARG . 51100 4 51 . ARG . 51100 4 52 . TYR . 51100 4 53 . PRO . 51100 4 54 . ARG . 51100 4 55 . GLY . 51100 4 56 . ALA . 51100 4 57 . PRO . 51100 4 58 . ALA . 51100 4 59 . PRO . 51100 4 60 . HIS . 51100 4 61 . CYS . 51100 4 62 . GLU . 51100 4 63 . MET . 51100 4 64 . SER . 51100 4 65 . ARG . 51100 4 66 . PHE . 51100 4 67 . VAL . 51100 4 68 . PRO . 51100 4 69 . LEU . 51100 4 70 . PRO . 51100 4 71 . ALA . 51100 4 72 . SER . 51100 4 73 . ALA . 51100 4 74 . LYS . 51100 4 75 . TRP . 51100 4 76 . ALA . 51100 4 77 . SER . 51100 4 78 . GLY . 51100 4 79 . LEU . 51100 4 80 . THR . 51100 4 81 . PRO . 51100 4 82 . ALA . 51100 4 83 . GLN . 51100 4 84 . ASN . 51100 4 85 . CYS . 51100 4 86 . PRO . 51100 4 87 . ARG . 51100 4 88 . ALA . 51100 4 89 . LEU . 51100 4 90 . ASP . 51100 4 91 . GLY . 51100 4 92 . ALA . 51100 4 93 . TRP . 51100 4 94 . LEU . 51100 4 95 . MET . 51100 4 96 . VAL . 51100 4 97 . SER . 51100 4 98 . ILE . 51100 4 99 . SER . 51100 4 100 . SER . 51100 4 101 . PRO . 51100 4 102 . VAL . 51100 4 103 . LEU . 51100 4 104 . SER . 51100 4 105 . LEU . 51100 4 106 . SER . 51100 4 107 . SER . 51100 4 108 . LEU . 51100 4 109 . LEU . 51100 4 110 . ARG . 51100 4 111 . PRO . 51100 4 112 . GLN . 51100 4 113 . PRO . 51100 4 114 . GLU . 51100 4 115 . PRO . 51100 4 116 . GLN . 51100 4 117 . GLN . 51100 4 118 . GLU . 51100 4 119 . PRO . 51100 4 120 . VAL . 51100 4 121 . LEU . 51100 4 122 . ILE . 51100 4 123 . THR . 51100 4 124 . MET . 51100 4 125 . ALA . 51100 4 126 . THR . 51100 4 127 . VAL . 51100 4 128 . VAL . 51100 4 129 . LEU . 51100 4 130 . THR . 51100 4 131 . VAL . 51100 4 132 . LEU . 51100 4 133 . THR . 51100 4 134 . HIS . 51100 4 135 . THR . 51100 4 136 . PRO . 51100 4 137 . ALA . 51100 4 138 . PRO . 51100 4 139 . ARG . 51100 4 140 . VAL . 51100 4 141 . ARG . 51100 4 142 . LEU . 51100 4 143 . GLY . 51100 4 144 . GLN . 51100 4 145 . ASP . 51100 4 146 . ALA . 51100 4 147 . LEU . 51100 4 148 . LEU . 51100 4 149 . ASP . 51100 4 150 . LEU . 51100 4 151 . SER . 51100 4 152 . PHE . 51100 4 153 . ALA . 51100 4 154 . TYR . 51100 4 155 . MET . 51100 4 156 . PRO . 51100 4 157 . PRO . 51100 4 158 . THR . 51100 4 159 . SER . 51100 4 160 . GLU . 51100 4 161 . ALA . 51100 4 162 . ALA . 51100 4 163 . SER . 51100 4 164 . SER . 51100 4 165 . LEU . 51100 4 166 . ALA . 51100 4 167 . PRO . 51100 4 168 . GLY . 51100 4 169 . PRO . 51100 4 170 . PRO . 51100 4 171 . PRO . 51100 4 172 . PHE . 51100 4 173 . GLY . 51100 4 174 . LEU . 51100 4 175 . GLU . 51100 4 176 . TRP . 51100 4 177 . ARG . 51100 4 178 . ARG . 51100 4 179 . GLN . 51100 4 180 . HIS . 51100 4 181 . LEU . 51100 4 182 . GLY . 51100 4 183 . LYS . 51100 4 184 . GLY . 51100 4 185 . HIS . 51100 4 186 . LEU . 51100 4 187 . LEU . 51100 4 188 . LEU . 51100 4 189 . ALA . 51100 4 190 . ALA . 51100 4 191 . THR . 51100 4 192 . PRO . 51100 4 193 . GLY . 51100 4 194 . LEU . 51100 4 195 . ASN . 51100 4 196 . GLY . 51100 4 197 . GLN . 51100 4 198 . MET . 51100 4 199 . PRO . 51100 4 200 . ALA . 51100 4 201 . ALA . 51100 4 202 . GLN . 51100 4 203 . GLU . 51100 4 204 . GLY . 51100 4 205 . ALA . 51100 4 206 . VAL . 51100 4 207 . ALA . 51100 4 208 . PHE . 51100 4 209 . ALA . 51100 4 210 . ALA . 51100 4 211 . TRP . 51100 4 212 . ASP . 51100 4 213 . ASP . 51100 4 214 . ASP . 51100 4 215 . GLU . 51100 4 216 . PRO . 51100 4 217 . TRP . 51100 4 218 . GLY . 51100 4 219 . PRO . 51100 4 220 . TRP . 51100 4 221 . THR . 51100 4 222 . GLY . 51100 4 223 . ASN . 51100 4 224 . GLY . 51100 4 225 . THR . 51100 4 226 . PHE . 51100 4 227 . TRP . 51100 4 228 . LEU . 51100 4 229 . PRO . 51100 4 230 . ARG . 51100 4 231 . VAL . 51100 4 232 . GLN . 51100 4 233 . PRO . 51100 4 234 . PHE . 51100 4 235 . GLN . 51100 4 236 . GLU . 51100 4 237 . GLY . 51100 4 238 . THR . 51100 4 239 . TYR . 51100 4 240 . LEU . 51100 4 241 . ALA . 51100 4 242 . THR . 51100 4 243 . ILE . 51100 4 244 . HIS . 51100 4 245 . LEU . 51100 4 246 . PRO . 51100 4 247 . TYR . 51100 4 248 . LEU . 51100 4 249 . GLN . 51100 4 250 . GLY . 51100 4 251 . GLN . 51100 4 252 . VAL . 51100 4 253 . THR . 51100 4 254 . LEU . 51100 4 255 . GLU . 51100 4 256 . LEU . 51100 4 257 . ALA . 51100 4 258 . VAL . 51100 4 259 . TYR . 51100 4 260 . LYS . 51100 4 261 . PRO . 51100 4 262 . PRO . 51100 4 263 . LYS . 51100 4 264 . VAL . 51100 4 265 . SER . 51100 4 266 . LEU . 51100 4 267 . MET . 51100 4 268 . PRO . 51100 4 269 . ALA . 51100 4 270 . THR . 51100 4 271 . LEU . 51100 4 272 . ALA . 51100 4 273 . ARG . 51100 4 274 . ALA . 51100 4 275 . ALA . 51100 4 276 . PRO . 51100 4 277 . GLY . 51100 4 278 . GLU . 51100 4 279 . ALA . 51100 4 280 . PRO . 51100 4 281 . PRO . 51100 4 282 . GLU . 51100 4 283 . LEU . 51100 4 284 . LEU . 51100 4 285 . CYS . 51100 4 286 . LEU . 51100 4 287 . VAL . 51100 4 288 . SER . 51100 4 289 . HIS . 51100 4 290 . PHE . 51100 4 291 . TYR . 51100 4 292 . PRO . 51100 4 293 . SER . 51100 4 294 . GLY . 51100 4 295 . GLY . 51100 4 296 . LEU . 51100 4 297 . GLU . 51100 4 298 . VAL . 51100 4 299 . GLU . 51100 4 300 . TRP . 51100 4 301 . GLU . 51100 4 302 . LEU . 51100 4 303 . ARG . 51100 4 304 . GLY . 51100 4 305 . GLY . 51100 4 306 . PRO . 51100 4 307 . GLY . 51100 4 308 . GLY . 51100 4 309 . ARG . 51100 4 310 . SER . 51100 4 311 . GLN . 51100 4 312 . LYS . 51100 4 313 . ALA . 51100 4 314 . GLU . 51100 4 315 . GLY . 51100 4 316 . GLN . 51100 4 317 . ARG . 51100 4 318 . TRP . 51100 4 319 . LEU . 51100 4 320 . SER . 51100 4 321 . ALA . 51100 4 322 . LEU . 51100 4 323 . ARG . 51100 4 324 . HIS . 51100 4 325 . HIS . 51100 4 326 . SER . 51100 4 327 . ASP . 51100 4 328 . GLY . 51100 4 329 . SER . 51100 4 330 . VAL . 51100 4 331 . SER . 51100 4 332 . LEU . 51100 4 333 . SER . 51100 4 334 . GLY . 51100 4 335 . HIS . 51100 4 336 . LEU . 51100 4 337 . GLN . 51100 4 338 . PRO . 51100 4 339 . PRO . 51100 4 340 . PRO . 51100 4 341 . VAL . 51100 4 342 . THR . 51100 4 343 . THR . 51100 4 344 . GLU . 51100 4 345 . GLN . 51100 4 346 . HIS . 51100 4 347 . GLY . 51100 4 348 . ALA . 51100 4 349 . ARG . 51100 4 350 . TYR . 51100 4 351 . ALA . 51100 4 352 . CYS . 51100 4 353 . ARG . 51100 4 354 . ILE . 51100 4 355 . HIS . 51100 4 356 . HIS . 51100 4 357 . PRO . 51100 4 358 . SER . 51100 4 359 . LEU . 51100 4 360 . PRO . 51100 4 361 . ALA . 51100 4 362 . SER . 51100 4 363 . GLY . 51100 4 364 . ARG . 51100 4 365 . SER . 51100 4 366 . ALA . 51100 4 367 . GLU . 51100 4 368 . VAL . 51100 4 369 . THR . 51100 4 370 . LEU . 51100 4 371 . GLU . 51100 4 372 . GLY . 51100 4 373 . GLY . 51100 4 374 . LEU . 51100 4 375 . GLU . 51100 4 376 . VAL . 51100 4 377 . LEU . 51100 4 378 . PHE . 51100 4 379 . GLN . 51100 4 380 . GLY . 51100 4 381 . PRO . 51100 4 382 . GLY . 51100 4 383 . GLY . 51100 4 384 . GLY . 51100 4 385 . LEU . 51100 4 386 . ASN . 51100 4 387 . ASP . 51100 4 388 . ILE . 51100 4 389 . PHE . 51100 4 390 . GLU . 51100 4 391 . ALA . 51100 4 392 . GLN . 51100 4 393 . LYS . 51100 4 394 . ILE . 51100 4 395 . GLU . 51100 4 396 . TRP . 51100 4 397 . HIS . 51100 4 398 . GLU . 51100 4 399 . GLY . 51100 4 400 . GLY . 51100 4 401 . HIS . 51100 4 402 . HIS . 51100 4 403 . HIS . 51100 4 404 . HIS . 51100 4 405 . HIS . 51100 4 406 . HIS . 51100 4 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 . GLU 1 1 51100 4 . ASP 2 2 51100 4 . ALA 3 3 51100 4 . SER 4 4 51100 4 . GLY 5 5 51100 4 . LYS 6 6 51100 4 . GLY 7 7 51100 4 . LEU 8 8 51100 4 . ALA 9 9 51100 4 . LYS 10 10 51100 4 . ARG 11 11 51100 4 . PRO 12 12 51100 4 . GLY 13 13 51100 4 . ALA 14 14 51100 4 . LEU 15 15 51100 4 . LEU 16 16 51100 4 . LEU 17 17 51100 4 . ARG 18 18 51100 4 . GLN 19 19 51100 4 . GLY 20 20 51100 4 . PRO 21 21 51100 4 . GLY 22 22 51100 4 . GLU 23 23 51100 4 . PRO 24 24 51100 4 . PRO 25 25 51100 4 . PRO 26 26 51100 4 . ARG 27 27 51100 4 . PRO 28 28 51100 4 . ASP 29 29 51100 4 . LEU 30 30 51100 4 . ASP 31 31 51100 4 . PRO 32 32 51100 4 . ASP 33 33 51100 4 . LEU 34 34 51100 4 . TYR 35 35 51100 4 . LEU 36 36 51100 4 . SER 37 37 51100 4 . VAL 38 38 51100 4 . HIS 39 39 51100 4 . ASP 40 40 51100 4 . PRO 41 41 51100 4 . ALA 42 42 51100 4 . GLY 43 43 51100 4 . ALA 44 44 51100 4 . LEU 45 45 51100 4 . GLN 46 46 51100 4 . ALA 47 47 51100 4 . ALA 48 48 51100 4 . PHE 49 49 51100 4 . ARG 50 50 51100 4 . ARG 51 51 51100 4 . TYR 52 52 51100 4 . PRO 53 53 51100 4 . ARG 54 54 51100 4 . GLY 55 55 51100 4 . ALA 56 56 51100 4 . PRO 57 57 51100 4 . ALA 58 58 51100 4 . PRO 59 59 51100 4 . HIS 60 60 51100 4 . CYS 61 61 51100 4 . GLU 62 62 51100 4 . MET 63 63 51100 4 . SER 64 64 51100 4 . ARG 65 65 51100 4 . PHE 66 66 51100 4 . VAL 67 67 51100 4 . PRO 68 68 51100 4 . LEU 69 69 51100 4 . PRO 70 70 51100 4 . ALA 71 71 51100 4 . SER 72 72 51100 4 . ALA 73 73 51100 4 . LYS 74 74 51100 4 . TRP 75 75 51100 4 . ALA 76 76 51100 4 . SER 77 77 51100 4 . GLY 78 78 51100 4 . LEU 79 79 51100 4 . THR 80 80 51100 4 . PRO 81 81 51100 4 . ALA 82 82 51100 4 . GLN 83 83 51100 4 . ASN 84 84 51100 4 . CYS 85 85 51100 4 . PRO 86 86 51100 4 . ARG 87 87 51100 4 . ALA 88 88 51100 4 . LEU 89 89 51100 4 . ASP 90 90 51100 4 . GLY 91 91 51100 4 . ALA 92 92 51100 4 . TRP 93 93 51100 4 . LEU 94 94 51100 4 . MET 95 95 51100 4 . VAL 96 96 51100 4 . SER 97 97 51100 4 . ILE 98 98 51100 4 . SER 99 99 51100 4 . SER 100 100 51100 4 . PRO 101 101 51100 4 . VAL 102 102 51100 4 . LEU 103 103 51100 4 . SER 104 104 51100 4 . LEU 105 105 51100 4 . SER 106 106 51100 4 . SER 107 107 51100 4 . LEU 108 108 51100 4 . LEU 109 109 51100 4 . ARG 110 110 51100 4 . PRO 111 111 51100 4 . GLN 112 112 51100 4 . PRO 113 113 51100 4 . GLU 114 114 51100 4 . PRO 115 115 51100 4 . GLN 116 116 51100 4 . GLN 117 117 51100 4 . GLU 118 118 51100 4 . PRO 119 119 51100 4 . VAL 120 120 51100 4 . LEU 121 121 51100 4 . ILE 122 122 51100 4 . THR 123 123 51100 4 . MET 124 124 51100 4 . ALA 125 125 51100 4 . THR 126 126 51100 4 . VAL 127 127 51100 4 . VAL 128 128 51100 4 . LEU 129 129 51100 4 . THR 130 130 51100 4 . VAL 131 131 51100 4 . LEU 132 132 51100 4 . THR 133 133 51100 4 . HIS 134 134 51100 4 . THR 135 135 51100 4 . PRO 136 136 51100 4 . ALA 137 137 51100 4 . PRO 138 138 51100 4 . ARG 139 139 51100 4 . VAL 140 140 51100 4 . ARG 141 141 51100 4 . LEU 142 142 51100 4 . GLY 143 143 51100 4 . GLN 144 144 51100 4 . ASP 145 145 51100 4 . ALA 146 146 51100 4 . LEU 147 147 51100 4 . LEU 148 148 51100 4 . ASP 149 149 51100 4 . LEU 150 150 51100 4 . SER 151 151 51100 4 . PHE 152 152 51100 4 . ALA 153 153 51100 4 . TYR 154 154 51100 4 . MET 155 155 51100 4 . PRO 156 156 51100 4 . PRO 157 157 51100 4 . THR 158 158 51100 4 . SER 159 159 51100 4 . GLU 160 160 51100 4 . ALA 161 161 51100 4 . ALA 162 162 51100 4 . SER 163 163 51100 4 . SER 164 164 51100 4 . LEU 165 165 51100 4 . ALA 166 166 51100 4 . PRO 167 167 51100 4 . GLY 168 168 51100 4 . PRO 169 169 51100 4 . PRO 170 170 51100 4 . PRO 171 171 51100 4 . PHE 172 172 51100 4 . GLY 173 173 51100 4 . LEU 174 174 51100 4 . GLU 175 175 51100 4 . TRP 176 176 51100 4 . ARG 177 177 51100 4 . ARG 178 178 51100 4 . GLN 179 179 51100 4 . HIS 180 180 51100 4 . LEU 181 181 51100 4 . GLY 182 182 51100 4 . LYS 183 183 51100 4 . GLY 184 184 51100 4 . HIS 185 185 51100 4 . LEU 186 186 51100 4 . LEU 187 187 51100 4 . LEU 188 188 51100 4 . ALA 189 189 51100 4 . ALA 190 190 51100 4 . THR 191 191 51100 4 . PRO 192 192 51100 4 . GLY 193 193 51100 4 . LEU 194 194 51100 4 . ASN 195 195 51100 4 . GLY 196 196 51100 4 . GLN 197 197 51100 4 . MET 198 198 51100 4 . PRO 199 199 51100 4 . ALA 200 200 51100 4 . ALA 201 201 51100 4 . GLN 202 202 51100 4 . GLU 203 203 51100 4 . GLY 204 204 51100 4 . ALA 205 205 51100 4 . VAL 206 206 51100 4 . ALA 207 207 51100 4 . PHE 208 208 51100 4 . ALA 209 209 51100 4 . ALA 210 210 51100 4 . TRP 211 211 51100 4 . ASP 212 212 51100 4 . ASP 213 213 51100 4 . ASP 214 214 51100 4 . GLU 215 215 51100 4 . PRO 216 216 51100 4 . TRP 217 217 51100 4 . GLY 218 218 51100 4 . PRO 219 219 51100 4 . TRP 220 220 51100 4 . THR 221 221 51100 4 . GLY 222 222 51100 4 . ASN 223 223 51100 4 . GLY 224 224 51100 4 . THR 225 225 51100 4 . PHE 226 226 51100 4 . TRP 227 227 51100 4 . LEU 228 228 51100 4 . PRO 229 229 51100 4 . ARG 230 230 51100 4 . VAL 231 231 51100 4 . GLN 232 232 51100 4 . PRO 233 233 51100 4 . PHE 234 234 51100 4 . GLN 235 235 51100 4 . GLU 236 236 51100 4 . GLY 237 237 51100 4 . THR 238 238 51100 4 . TYR 239 239 51100 4 . LEU 240 240 51100 4 . ALA 241 241 51100 4 . THR 242 242 51100 4 . ILE 243 243 51100 4 . HIS 244 244 51100 4 . LEU 245 245 51100 4 . PRO 246 246 51100 4 . TYR 247 247 51100 4 . LEU 248 248 51100 4 . GLN 249 249 51100 4 . GLY 250 250 51100 4 . GLN 251 251 51100 4 . VAL 252 252 51100 4 . THR 253 253 51100 4 . LEU 254 254 51100 4 . GLU 255 255 51100 4 . LEU 256 256 51100 4 . ALA 257 257 51100 4 . VAL 258 258 51100 4 . TYR 259 259 51100 4 . LYS 260 260 51100 4 . PRO 261 261 51100 4 . PRO 262 262 51100 4 . LYS 263 263 51100 4 . VAL 264 264 51100 4 . SER 265 265 51100 4 . LEU 266 266 51100 4 . MET 267 267 51100 4 . PRO 268 268 51100 4 . ALA 269 269 51100 4 . THR 270 270 51100 4 . LEU 271 271 51100 4 . ALA 272 272 51100 4 . ARG 273 273 51100 4 . ALA 274 274 51100 4 . ALA 275 275 51100 4 . PRO 276 276 51100 4 . GLY 277 277 51100 4 . GLU 278 278 51100 4 . ALA 279 279 51100 4 . PRO 280 280 51100 4 . PRO 281 281 51100 4 . GLU 282 282 51100 4 . LEU 283 283 51100 4 . LEU 284 284 51100 4 . CYS 285 285 51100 4 . LEU 286 286 51100 4 . VAL 287 287 51100 4 . SER 288 288 51100 4 . HIS 289 289 51100 4 . PHE 290 290 51100 4 . TYR 291 291 51100 4 . PRO 292 292 51100 4 . SER 293 293 51100 4 . GLY 294 294 51100 4 . GLY 295 295 51100 4 . LEU 296 296 51100 4 . GLU 297 297 51100 4 . VAL 298 298 51100 4 . GLU 299 299 51100 4 . TRP 300 300 51100 4 . GLU 301 301 51100 4 . LEU 302 302 51100 4 . ARG 303 303 51100 4 . GLY 304 304 51100 4 . GLY 305 305 51100 4 . PRO 306 306 51100 4 . GLY 307 307 51100 4 . GLY 308 308 51100 4 . ARG 309 309 51100 4 . SER 310 310 51100 4 . GLN 311 311 51100 4 . LYS 312 312 51100 4 . ALA 313 313 51100 4 . GLU 314 314 51100 4 . GLY 315 315 51100 4 . GLN 316 316 51100 4 . ARG 317 317 51100 4 . TRP 318 318 51100 4 . LEU 319 319 51100 4 . SER 320 320 51100 4 . ALA 321 321 51100 4 . LEU 322 322 51100 4 . ARG 323 323 51100 4 . HIS 324 324 51100 4 . HIS 325 325 51100 4 . SER 326 326 51100 4 . ASP 327 327 51100 4 . GLY 328 328 51100 4 . SER 329 329 51100 4 . VAL 330 330 51100 4 . SER 331 331 51100 4 . LEU 332 332 51100 4 . SER 333 333 51100 4 . GLY 334 334 51100 4 . HIS 335 335 51100 4 . LEU 336 336 51100 4 . GLN 337 337 51100 4 . PRO 338 338 51100 4 . PRO 339 339 51100 4 . PRO 340 340 51100 4 . VAL 341 341 51100 4 . THR 342 342 51100 4 . THR 343 343 51100 4 . GLU 344 344 51100 4 . GLN 345 345 51100 4 . HIS 346 346 51100 4 . GLY 347 347 51100 4 . ALA 348 348 51100 4 . ARG 349 349 51100 4 . TYR 350 350 51100 4 . ALA 351 351 51100 4 . CYS 352 352 51100 4 . ARG 353 353 51100 4 . ILE 354 354 51100 4 . HIS 355 355 51100 4 . HIS 356 356 51100 4 . PRO 357 357 51100 4 . SER 358 358 51100 4 . LEU 359 359 51100 4 . PRO 360 360 51100 4 . ALA 361 361 51100 4 . SER 362 362 51100 4 . GLY 363 363 51100 4 . ARG 364 364 51100 4 . SER 365 365 51100 4 . ALA 366 366 51100 4 . GLU 367 367 51100 4 . VAL 368 368 51100 4 . THR 369 369 51100 4 . LEU 370 370 51100 4 . GLU 371 371 51100 4 . GLY 372 372 51100 4 . GLY 373 373 51100 4 . LEU 374 374 51100 4 . GLU 375 375 51100 4 . VAL 376 376 51100 4 . LEU 377 377 51100 4 . PHE 378 378 51100 4 . GLN 379 379 51100 4 . GLY 380 380 51100 4 . PRO 381 381 51100 4 . GLY 382 382 51100 4 . GLY 383 383 51100 4 . GLY 384 384 51100 4 . LEU 385 385 51100 4 . ASN 386 386 51100 4 . ASP 387 387 51100 4 . ILE 388 388 51100 4 . PHE 389 389 51100 4 . GLU 390 390 51100 4 . ALA 391 391 51100 4 . GLN 392 392 51100 4 . LYS 393 393 51100 4 . ILE 394 394 51100 4 . GLU 395 395 51100 4 . TRP 396 396 51100 4 . HIS 397 397 51100 4 . GLU 398 398 51100 4 . GLY 399 399 51100 4 . GLY 400 400 51100 4 . HIS 401 401 51100 4 . HIS 402 402 51100 4 . HIS 403 403 51100 4 . HIS 404 404 51100 4 . HIS 405 405 51100 4 . HIS 406 406 51100 4 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 51100 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51100 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51100 1 3 3 $entity_3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51100 1 4 4 $entity_4 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51100 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 51100 _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 BL21DE3 . . plasmid . . pET22B+ . . . 51100 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21DE3 . . plasmid . . pET22B+ . . . 51100 1 3 3 $entity_3 . 'obtained from a vendor' . . . . . . . . . plasmid . . . . . . 51100 1 4 4 $entity_4 . 'obtained from a collaborator' 'Spodoptera frugiperda' . . . Spodoptera frugiperda . . . plasmid . . . . . . 51100 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51100 _Sample.ID 1 _Sample.Name MHC-I/tapasin _Sample.Type solution _Sample.Sub_type . _Sample.Details 'With 1X Roche protease inhibitor' _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 'Human Beta-2 microglobulin' '[Ala 13C; Ile 13C 1; Leu 13C 1/13C 2; Val 13C 1/13C]' . . 2 $entity_2 . . 300 . . uM . . . . 51100 1 2 HLA-B*44:05 'natural abundance' . . 1 $entity_1 . . 300 . . uM . . . . 51100 1 3 tapasin 'natural abundance' . . 4 $entity_4 . . 300 . . uM . . . . 51100 1 4 peptide 'natural abundance' . . 3 $entity_3 . . 300 . . uM . . . . 51100 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51100 1 6 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51100 1 7 'sodium azide' 'natural abundance' . . . . . . 1.6 . . mM . . . . 51100 1 8 EDTA 'natural abundance' . . . . . . 5 . . mM . . . . 51100 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 51100 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Standard Condition' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 51100 1 pH 7.2 . pH 51100 1 pressure 1 . atm 51100 1 temperature 298 . K 51100 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51100 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51100 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51100 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51100 2 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 51100 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'NIH 700MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 51100 _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-13C HMQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51100 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 51100 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Standard Referencing' _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 'methyl carbon' . . . . ppm 0 internal direct 1 . . . . . 51100 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 51100 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 51100 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Hb2m/HLA-B*44:05/6mer with TAPASIN' _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-13C HMQC' . . . 51100 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 . . 51100 1 2 $software_2 . . 51100 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 . 2 . 2 8 8 ILE HD11 H 1 0.771 . . 1 . . . . . 7 I QD1 . 51100 1 2 . 2 . 2 8 8 ILE HD12 H 1 0.771 . . 1 . . . . . 7 I QD1 . 51100 1 3 . 2 . 2 8 8 ILE HD13 H 1 0.771 . . 1 . . . . . 7 I QD1 . 51100 1 4 . 2 . 2 8 8 ILE CD1 C 13 15.119 . . 1 . . . . . 7 I CD1 . 51100 1 5 . 2 . 2 10 10 VAL HG11 H 1 1.014 . . 2 . . . . . 9 V QG1 . 51100 1 6 . 2 . 2 10 10 VAL HG12 H 1 1.014 . . 2 . . . . . 9 V QG1 . 51100 1 7 . 2 . 2 10 10 VAL HG13 H 1 1.014 . . 2 . . . . . 9 V QG1 . 51100 1 8 . 2 . 2 10 10 VAL HG21 H 1 1.007 . . 2 . . . . . 9 V QG2 . 51100 1 9 . 2 . 2 10 10 VAL HG22 H 1 1.007 . . 2 . . . . . 9 V QG2 . 51100 1 10 . 2 . 2 10 10 VAL HG23 H 1 1.007 . . 2 . . . . . 9 V QG2 . 51100 1 11 . 2 . 2 10 10 VAL CG1 C 13 20.603 . . 2 . . . . . 9 V CG1 . 51100 1 12 . 2 . 2 10 10 VAL CG2 C 13 23.682 . . 2 . . . . . 9 V CG2 . 51100 1 13 . 2 . 2 24 24 LEU HD11 H 1 -0.008 . . 2 . . . . . 23 L QD1 . 51100 1 14 . 2 . 2 24 24 LEU HD12 H 1 -0.008 . . 2 . . . . . 23 L QD1 . 51100 1 15 . 2 . 2 24 24 LEU HD13 H 1 -0.008 . . 2 . . . . . 23 L QD1 . 51100 1 16 . 2 . 2 24 24 LEU HD21 H 1 -0.604 . . 2 . . . . . 23 L QD2 . 51100 1 17 . 2 . 2 24 24 LEU HD22 H 1 -0.604 . . 2 . . . . . 23 L QD2 . 51100 1 18 . 2 . 2 24 24 LEU HD23 H 1 -0.604 . . 2 . . . . . 23 L QD2 . 51100 1 19 . 2 . 2 24 24 LEU CD1 C 13 25.977 . . 2 . . . . . 23 L CD1 . 51100 1 20 . 2 . 2 24 24 LEU CD2 C 13 20.565 . . 2 . . . . . 23 L CD2 . 51100 1 21 . 2 . 2 38 38 VAL HG11 H 1 0.233 . . 2 . . . . . 37 V QG1 . 51100 1 22 . 2 . 2 38 38 VAL HG12 H 1 0.233 . . 2 . . . . . 37 V QG1 . 51100 1 23 . 2 . 2 38 38 VAL HG13 H 1 0.233 . . 2 . . . . . 37 V QG1 . 51100 1 24 . 2 . 2 38 38 VAL CG1 C 13 21.408 . . 2 . . . . . 37 V CG1 . 51100 1 25 . 2 . 2 41 41 LEU HD11 H 1 0.622 . . 2 . . . . . 40 L QD1 . 51100 1 26 . 2 . 2 41 41 LEU HD12 H 1 0.622 . . 2 . . . . . 40 L QD1 . 51100 1 27 . 2 . 2 41 41 LEU HD13 H 1 0.622 . . 2 . . . . . 40 L QD1 . 51100 1 28 . 2 . 2 41 41 LEU HD21 H 1 0.374 . . 2 . . . . . 40 L QD2 . 51100 1 29 . 2 . 2 41 41 LEU HD22 H 1 0.374 . . 2 . . . . . 40 L QD2 . 51100 1 30 . 2 . 2 41 41 LEU HD23 H 1 0.374 . . 2 . . . . . 40 L QD2 . 51100 1 31 . 2 . 2 41 41 LEU CD1 C 13 25.732 . . 2 . . . . . 40 L CD1 . 51100 1 32 . 2 . 2 41 41 LEU CD2 C 13 22.233 . . 2 . . . . . 40 L CD2 . 51100 1 33 . 2 . 2 47 47 ILE HD11 H 1 0.902 . . 1 . . . . . 46 I QD1 . 51100 1 34 . 2 . 2 47 47 ILE HD12 H 1 0.902 . . 1 . . . . . 46 I QD1 . 51100 1 35 . 2 . 2 47 47 ILE HD13 H 1 0.902 . . 1 . . . . . 46 I QD1 . 51100 1 36 . 2 . 2 47 47 ILE CD1 C 13 13.623 . . 1 . . . . . 46 I CD1 . 51100 1 37 . 2 . 2 50 50 VAL HG11 H 1 1.073 . . 2 . . . . . 49 V QG1 . 51100 1 38 . 2 . 2 50 50 VAL HG12 H 1 1.073 . . 2 . . . . . 49 V QG1 . 51100 1 39 . 2 . 2 50 50 VAL HG13 H 1 1.073 . . 2 . . . . . 49 V QG1 . 51100 1 40 . 2 . 2 50 50 VAL CG1 C 13 22.339 . . 2 . . . . . 49 V CG1 . 51100 1 41 . 2 . 2 55 55 LEU HD11 H 1 0.844 . . 2 . . . . . 54 L QD1 . 51100 1 42 . 2 . 2 55 55 LEU HD12 H 1 0.844 . . 2 . . . . . 54 L QD1 . 51100 1 43 . 2 . 2 55 55 LEU HD13 H 1 0.844 . . 2 . . . . . 54 L QD1 . 51100 1 44 . 2 . 2 55 55 LEU HD21 H 1 0.904 . . 2 . . . . . 54 L QD2 . 51100 1 45 . 2 . 2 55 55 LEU HD22 H 1 0.904 . . 2 . . . . . 54 L QD2 . 51100 1 46 . 2 . 2 55 55 LEU HD23 H 1 0.904 . . 2 . . . . . 54 L QD2 . 51100 1 47 . 2 . 2 55 55 LEU CD1 C 13 23.327 . . 2 . . . . . 54 L CD1 . 51100 1 48 . 2 . 2 55 55 LEU CD2 C 13 24.842 . . 2 . . . . . 54 L CD2 . 51100 1 49 . 2 . 2 65 65 LEU HD11 H 1 1.043 . . 2 . . . . . 64 L QD1 . 51100 1 50 . 2 . 2 65 65 LEU HD12 H 1 1.043 . . 2 . . . . . 64 L QD1 . 51100 1 51 . 2 . 2 65 65 LEU HD13 H 1 1.043 . . 2 . . . . . 64 L QD1 . 51100 1 52 . 2 . 2 65 65 LEU CD1 C 13 25.745 . . 2 . . . . . 64 L CD1 . 51100 1 53 . 2 . 2 83 83 VAL HG11 H 1 0.576 . . 2 . . . . . 82 V QG1 . 51100 1 54 . 2 . 2 83 83 VAL HG12 H 1 0.576 . . 2 . . . . . 82 V QG1 . 51100 1 55 . 2 . 2 83 83 VAL HG13 H 1 0.576 . . 2 . . . . . 82 V QG1 . 51100 1 56 . 2 . 2 83 83 VAL HG21 H 1 0.766 . . 2 . . . . . 82 V QG2 . 51100 1 57 . 2 . 2 83 83 VAL HG22 H 1 0.766 . . 2 . . . . . 82 V QG2 . 51100 1 58 . 2 . 2 83 83 VAL HG23 H 1 0.766 . . 2 . . . . . 82 V QG2 . 51100 1 59 . 2 . 2 83 83 VAL CG1 C 13 21.479 . . 2 . . . . . 82 V CG1 . 51100 1 60 . 2 . 2 83 83 VAL CG2 C 13 22.975 . . 2 . . . . . 82 V CG2 . 51100 1 61 . 2 . 2 86 86 VAL HG11 H 1 0.589 . . 2 . . . . . 85 V QG1 . 51100 1 62 . 2 . 2 86 86 VAL HG12 H 1 0.589 . . 2 . . . . . 85 V QG1 . 51100 1 63 . 2 . 2 86 86 VAL HG13 H 1 0.589 . . 2 . . . . . 85 V QG1 . 51100 1 64 . 2 . 2 86 86 VAL HG21 H 1 0.814 . . 2 . . . . . 85 V QG2 . 51100 1 65 . 2 . 2 86 86 VAL HG22 H 1 0.814 . . 2 . . . . . 85 V QG2 . 51100 1 66 . 2 . 2 86 86 VAL HG23 H 1 0.814 . . 2 . . . . . 85 V QG2 . 51100 1 67 . 2 . 2 86 86 VAL CG1 C 13 19.615 . . 2 . . . . . 85 V CG1 . 51100 1 68 . 2 . 2 86 86 VAL CG2 C 13 20.226 . . 2 . . . . . 85 V CG2 . 51100 1 69 . 2 . 2 93 93 ILE HD11 H 1 0.719 . . 1 . . . . . 92 I QD1 . 51100 1 70 . 2 . 2 93 93 ILE HD12 H 1 0.719 . . 1 . . . . . 92 I QD1 . 51100 1 71 . 2 . 2 93 93 ILE HD13 H 1 0.719 . . 1 . . . . . 92 I QD1 . 51100 1 72 . 2 . 2 93 93 ILE CD1 C 13 12.811 . . 1 . . . . . 92 I CD1 . 51100 1 stop_ save_