data_51453 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51453 _Entry.Title ; 1H, 13C Chemical Shift Assignments for 13C Methionine Labeled ACKR3 in complex with LIH383 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-05-19 _Entry.Accession_date 2022-05-19 _Entry.Last_release_date 2022-05-19 _Entry.Original_release_date 2022-05-19 _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 Shawn Jenjak . . . 0000-0001-9890-4224 51453 2 Francis Peterson . . . . 51453 3 Brian Volkman . . . 0000-0002-6681-5179 51453 4 Andrew Kleist . . . . 51453 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51453 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 4 51453 '1H chemical shifts' 12 51453 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 . . 2022-08-08 . original BMRB . 51453 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51451 '1H, 13C Chemical Shift Assignments for 13C Methionine Labeled ACKR3 in complex with CXCL12' 51453 BMRB 51452 '1H, 13C Chemical Shift Assignments for 13C Methionine Labeled ACKR3 in complex with VUN701' 51453 BMRB 51454 '1H, 13C Chemical Shift Assignments for 13C Methionine Labeled ACKR3 in complex with CCX777' 51453 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51453 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35857540 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Conformational selection guides beta-arrestin recruitment at a biased G protein-coupled receptor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Science _Citation.Journal_name_full 'Science (New York, N.Y.)' _Citation.Journal_volume 377 _Citation.Journal_issue 6602 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1095-9203 _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 222 _Citation.Page_last 228 _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 Andrew Kleist A. B. . . 51453 1 2 Shawn Jenjak S. . . . 51453 1 3 Andrija Sente A. . . . 51453 1 4 Lauren Laskowski L. J. . . 51453 1 5 Martyna Szpakowska M. . . . 51453 1 6 Maggie Calkins M. M. . . 51453 1 7 Emilie Anderson E. I. . . 51453 1 8 Lisa McNally L. M. . . 51453 1 9 Raimond Heukers R. . . . 51453 1 10 Vladimir Bobkov V. . . . 51453 1 11 Francis Peterson F. C. . . 51453 1 12 Monica Thomas M. A. . . 51453 1 13 Andy Chevigne A. . . . 51453 1 14 Martine Smit M. J. . . 51453 1 15 John McCorvy J. D. . . 51453 1 16 'M Madan' Babu M. M. . . 51453 1 17 Brian Volkman B. F. . . 51453 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51453 _Assembly.ID 1 _Assembly.Name ACKR3-LIH383 _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 yes _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 ACKR3-LIH383 1 $entity_1 . . yes native no no . . . 51453 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51453 _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 ; DLHLFDYSEPGNFSDISWPC NSSDCIVVDTVMCPNMPNKS VLLYTLSFIYIFIFVIGMIA NSVVVWVNIQAKTTGYDTHC YILNLAIADLWVVLTIPVWV VSLVQHNQWPMGELTCKVTH LIFSINLFGSIFFLTCMSVD RYLSITYFTNTPSSRKKMVR RVVCILVWLLAFCVSLPDTY YLKTVTSASNNETYCRSFYP EHSIKEWLIGMELVSVVLGF AVPFSIIAVFYFLLARAISA SSDQEKHSSRKIIFSYVVVF LVCWLPYHVAVLLDIFSILH YIPFTCRLEHALFTALHVTQ CLSLVHCCVNPVLYSFINRN YRYELMKAFIFKYSAKTGLT KLIDASRVSETEYSALEQST K ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 361 _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 2 ASP . 51453 1 2 3 LEU . 51453 1 3 4 HIS . 51453 1 4 5 LEU . 51453 1 5 6 PHE . 51453 1 6 7 ASP . 51453 1 7 8 TYR . 51453 1 8 9 SER . 51453 1 9 10 GLU . 51453 1 10 11 PRO . 51453 1 11 12 GLY . 51453 1 12 13 ASN . 51453 1 13 14 PHE . 51453 1 14 15 SER . 51453 1 15 16 ASP . 51453 1 16 17 ILE . 51453 1 17 18 SER . 51453 1 18 19 TRP . 51453 1 19 20 PRO . 51453 1 20 21 CYS . 51453 1 21 22 ASN . 51453 1 22 23 SER . 51453 1 23 24 SER . 51453 1 24 25 ASP . 51453 1 25 26 CYS . 51453 1 26 27 ILE . 51453 1 27 28 VAL . 51453 1 28 29 VAL . 51453 1 29 30 ASP . 51453 1 30 31 THR . 51453 1 31 32 VAL . 51453 1 32 33 MET . 51453 1 33 34 CYS . 51453 1 34 35 PRO . 51453 1 35 36 ASN . 51453 1 36 37 MET . 51453 1 37 38 PRO . 51453 1 38 39 ASN . 51453 1 39 40 LYS . 51453 1 40 41 SER . 51453 1 41 42 VAL . 51453 1 42 43 LEU . 51453 1 43 44 LEU . 51453 1 44 45 TYR . 51453 1 45 46 THR . 51453 1 46 47 LEU . 51453 1 47 48 SER . 51453 1 48 49 PHE . 51453 1 49 50 ILE . 51453 1 50 51 TYR . 51453 1 51 52 ILE . 51453 1 52 53 PHE . 51453 1 53 54 ILE . 51453 1 54 55 PHE . 51453 1 55 56 VAL . 51453 1 56 57 ILE . 51453 1 57 58 GLY . 51453 1 58 59 MET . 51453 1 59 60 ILE . 51453 1 60 61 ALA . 51453 1 61 62 ASN . 51453 1 62 63 SER . 51453 1 63 64 VAL . 51453 1 64 65 VAL . 51453 1 65 66 VAL . 51453 1 66 67 TRP . 51453 1 67 68 VAL . 51453 1 68 69 ASN . 51453 1 69 70 ILE . 51453 1 70 71 GLN . 51453 1 71 72 ALA . 51453 1 72 73 LYS . 51453 1 73 74 THR . 51453 1 74 75 THR . 51453 1 75 76 GLY . 51453 1 76 77 TYR . 51453 1 77 78 ASP . 51453 1 78 79 THR . 51453 1 79 80 HIS . 51453 1 80 81 CYS . 51453 1 81 82 TYR . 51453 1 82 83 ILE . 51453 1 83 84 LEU . 51453 1 84 85 ASN . 51453 1 85 86 LEU . 51453 1 86 87 ALA . 51453 1 87 88 ILE . 51453 1 88 89 ALA . 51453 1 89 90 ASP . 51453 1 90 91 LEU . 51453 1 91 92 TRP . 51453 1 92 93 VAL . 51453 1 93 94 VAL . 51453 1 94 95 LEU . 51453 1 95 96 THR . 51453 1 96 97 ILE . 51453 1 97 98 PRO . 51453 1 98 99 VAL . 51453 1 99 100 TRP . 51453 1 100 101 VAL . 51453 1 101 102 VAL . 51453 1 102 103 SER . 51453 1 103 104 LEU . 51453 1 104 105 VAL . 51453 1 105 106 GLN . 51453 1 106 107 HIS . 51453 1 107 108 ASN . 51453 1 108 109 GLN . 51453 1 109 110 TRP . 51453 1 110 111 PRO . 51453 1 111 112 MET . 51453 1 112 113 GLY . 51453 1 113 114 GLU . 51453 1 114 115 LEU . 51453 1 115 116 THR . 51453 1 116 117 CYS . 51453 1 117 118 LYS . 51453 1 118 119 VAL . 51453 1 119 120 THR . 51453 1 120 121 HIS . 51453 1 121 122 LEU . 51453 1 122 123 ILE . 51453 1 123 124 PHE . 51453 1 124 125 SER . 51453 1 125 126 ILE . 51453 1 126 127 ASN . 51453 1 127 128 LEU . 51453 1 128 129 PHE . 51453 1 129 130 GLY . 51453 1 130 131 SER . 51453 1 131 132 ILE . 51453 1 132 133 PHE . 51453 1 133 134 PHE . 51453 1 134 135 LEU . 51453 1 135 136 THR . 51453 1 136 137 CYS . 51453 1 137 138 MET . 51453 1 138 139 SER . 51453 1 139 140 VAL . 51453 1 140 141 ASP . 51453 1 141 142 ARG . 51453 1 142 143 TYR . 51453 1 143 144 LEU . 51453 1 144 145 SER . 51453 1 145 146 ILE . 51453 1 146 147 THR . 51453 1 147 148 TYR . 51453 1 148 149 PHE . 51453 1 149 150 THR . 51453 1 150 151 ASN . 51453 1 151 152 THR . 51453 1 152 153 PRO . 51453 1 153 154 SER . 51453 1 154 155 SER . 51453 1 155 156 ARG . 51453 1 156 157 LYS . 51453 1 157 158 LYS . 51453 1 158 159 MET . 51453 1 159 160 VAL . 51453 1 160 161 ARG . 51453 1 161 162 ARG . 51453 1 162 163 VAL . 51453 1 163 164 VAL . 51453 1 164 165 CYS . 51453 1 165 166 ILE . 51453 1 166 167 LEU . 51453 1 167 168 VAL . 51453 1 168 169 TRP . 51453 1 169 170 LEU . 51453 1 170 171 LEU . 51453 1 171 172 ALA . 51453 1 172 173 PHE . 51453 1 173 174 CYS . 51453 1 174 175 VAL . 51453 1 175 176 SER . 51453 1 176 177 LEU . 51453 1 177 178 PRO . 51453 1 178 179 ASP . 51453 1 179 180 THR . 51453 1 180 181 TYR . 51453 1 181 182 TYR . 51453 1 182 183 LEU . 51453 1 183 184 LYS . 51453 1 184 185 THR . 51453 1 185 186 VAL . 51453 1 186 187 THR . 51453 1 187 188 SER . 51453 1 188 189 ALA . 51453 1 189 190 SER . 51453 1 190 191 ASN . 51453 1 191 192 ASN . 51453 1 192 193 GLU . 51453 1 193 194 THR . 51453 1 194 195 TYR . 51453 1 195 196 CYS . 51453 1 196 197 ARG . 51453 1 197 198 SER . 51453 1 198 199 PHE . 51453 1 199 200 TYR . 51453 1 200 201 PRO . 51453 1 201 202 GLU . 51453 1 202 203 HIS . 51453 1 203 204 SER . 51453 1 204 205 ILE . 51453 1 205 206 LYS . 51453 1 206 207 GLU . 51453 1 207 208 TRP . 51453 1 208 209 LEU . 51453 1 209 210 ILE . 51453 1 210 211 GLY . 51453 1 211 212 MET . 51453 1 212 213 GLU . 51453 1 213 214 LEU . 51453 1 214 215 VAL . 51453 1 215 216 SER . 51453 1 216 217 VAL . 51453 1 217 218 VAL . 51453 1 218 219 LEU . 51453 1 219 220 GLY . 51453 1 220 221 PHE . 51453 1 221 222 ALA . 51453 1 222 223 VAL . 51453 1 223 224 PRO . 51453 1 224 225 PHE . 51453 1 225 226 SER . 51453 1 226 227 ILE . 51453 1 227 228 ILE . 51453 1 228 229 ALA . 51453 1 229 230 VAL . 51453 1 230 231 PHE . 51453 1 231 232 TYR . 51453 1 232 233 PHE . 51453 1 233 234 LEU . 51453 1 234 235 LEU . 51453 1 235 236 ALA . 51453 1 236 237 ARG . 51453 1 237 238 ALA . 51453 1 238 239 ILE . 51453 1 239 240 SER . 51453 1 240 241 ALA . 51453 1 241 242 SER . 51453 1 242 243 SER . 51453 1 243 244 ASP . 51453 1 244 245 GLN . 51453 1 245 246 GLU . 51453 1 246 247 LYS . 51453 1 247 248 HIS . 51453 1 248 249 SER . 51453 1 249 250 SER . 51453 1 250 251 ARG . 51453 1 251 252 LYS . 51453 1 252 253 ILE . 51453 1 253 254 ILE . 51453 1 254 255 PHE . 51453 1 255 256 SER . 51453 1 256 257 TYR . 51453 1 257 258 VAL . 51453 1 258 259 VAL . 51453 1 259 260 VAL . 51453 1 260 261 PHE . 51453 1 261 262 LEU . 51453 1 262 263 VAL . 51453 1 263 264 CYS . 51453 1 264 265 TRP . 51453 1 265 266 LEU . 51453 1 266 267 PRO . 51453 1 267 268 TYR . 51453 1 268 269 HIS . 51453 1 269 270 VAL . 51453 1 270 271 ALA . 51453 1 271 272 VAL . 51453 1 272 273 LEU . 51453 1 273 274 LEU . 51453 1 274 275 ASP . 51453 1 275 276 ILE . 51453 1 276 277 PHE . 51453 1 277 278 SER . 51453 1 278 279 ILE . 51453 1 279 280 LEU . 51453 1 280 281 HIS . 51453 1 281 282 TYR . 51453 1 282 283 ILE . 51453 1 283 284 PRO . 51453 1 284 285 PHE . 51453 1 285 286 THR . 51453 1 286 287 CYS . 51453 1 287 288 ARG . 51453 1 288 289 LEU . 51453 1 289 290 GLU . 51453 1 290 291 HIS . 51453 1 291 292 ALA . 51453 1 292 293 LEU . 51453 1 293 294 PHE . 51453 1 294 295 THR . 51453 1 295 296 ALA . 51453 1 296 297 LEU . 51453 1 297 298 HIS . 51453 1 298 299 VAL . 51453 1 299 300 THR . 51453 1 300 301 GLN . 51453 1 301 302 CYS . 51453 1 302 303 LEU . 51453 1 303 304 SER . 51453 1 304 305 LEU . 51453 1 305 306 VAL . 51453 1 306 307 HIS . 51453 1 307 308 CYS . 51453 1 308 309 CYS . 51453 1 309 310 VAL . 51453 1 310 311 ASN . 51453 1 311 312 PRO . 51453 1 312 313 VAL . 51453 1 313 314 LEU . 51453 1 314 315 TYR . 51453 1 315 316 SER . 51453 1 316 317 PHE . 51453 1 317 318 ILE . 51453 1 318 319 ASN . 51453 1 319 320 ARG . 51453 1 320 321 ASN . 51453 1 321 322 TYR . 51453 1 322 323 ARG . 51453 1 323 324 TYR . 51453 1 324 325 GLU . 51453 1 325 326 LEU . 51453 1 326 327 MET . 51453 1 327 328 LYS . 51453 1 328 329 ALA . 51453 1 329 330 PHE . 51453 1 330 331 ILE . 51453 1 331 332 PHE . 51453 1 332 333 LYS . 51453 1 333 334 TYR . 51453 1 334 335 SER . 51453 1 335 336 ALA . 51453 1 336 337 LYS . 51453 1 337 338 THR . 51453 1 338 339 GLY . 51453 1 339 340 LEU . 51453 1 340 341 THR . 51453 1 341 342 LYS . 51453 1 342 343 LEU . 51453 1 343 344 ILE . 51453 1 344 345 ASP . 51453 1 345 346 ALA . 51453 1 346 347 SER . 51453 1 347 348 ARG . 51453 1 348 349 VAL . 51453 1 349 350 SER . 51453 1 350 351 GLU . 51453 1 351 352 THR . 51453 1 352 353 GLU . 51453 1 353 354 TYR . 51453 1 354 355 SER . 51453 1 355 356 ALA . 51453 1 356 357 LEU . 51453 1 357 358 GLU . 51453 1 358 359 GLN . 51453 1 359 360 SER . 51453 1 360 361 THR . 51453 1 361 362 LYS . 51453 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 . ASP 1 1 51453 1 . LEU 2 2 51453 1 . HIS 3 3 51453 1 . LEU 4 4 51453 1 . PHE 5 5 51453 1 . ASP 6 6 51453 1 . TYR 7 7 51453 1 . SER 8 8 51453 1 . GLU 9 9 51453 1 . PRO 10 10 51453 1 . GLY 11 11 51453 1 . ASN 12 12 51453 1 . PHE 13 13 51453 1 . SER 14 14 51453 1 . ASP 15 15 51453 1 . ILE 16 16 51453 1 . SER 17 17 51453 1 . TRP 18 18 51453 1 . PRO 19 19 51453 1 . CYS 20 20 51453 1 . ASN 21 21 51453 1 . SER 22 22 51453 1 . SER 23 23 51453 1 . ASP 24 24 51453 1 . CYS 25 25 51453 1 . ILE 26 26 51453 1 . VAL 27 27 51453 1 . VAL 28 28 51453 1 . ASP 29 29 51453 1 . THR 30 30 51453 1 . VAL 31 31 51453 1 . MET 32 32 51453 1 . CYS 33 33 51453 1 . PRO 34 34 51453 1 . ASN 35 35 51453 1 . MET 36 36 51453 1 . PRO 37 37 51453 1 . ASN 38 38 51453 1 . LYS 39 39 51453 1 . SER 40 40 51453 1 . VAL 41 41 51453 1 . LEU 42 42 51453 1 . LEU 43 43 51453 1 . TYR 44 44 51453 1 . THR 45 45 51453 1 . LEU 46 46 51453 1 . SER 47 47 51453 1 . PHE 48 48 51453 1 . ILE 49 49 51453 1 . TYR 50 50 51453 1 . ILE 51 51 51453 1 . PHE 52 52 51453 1 . ILE 53 53 51453 1 . PHE 54 54 51453 1 . VAL 55 55 51453 1 . ILE 56 56 51453 1 . GLY 57 57 51453 1 . MET 58 58 51453 1 . ILE 59 59 51453 1 . ALA 60 60 51453 1 . ASN 61 61 51453 1 . SER 62 62 51453 1 . VAL 63 63 51453 1 . VAL 64 64 51453 1 . VAL 65 65 51453 1 . TRP 66 66 51453 1 . VAL 67 67 51453 1 . ASN 68 68 51453 1 . ILE 69 69 51453 1 . GLN 70 70 51453 1 . ALA 71 71 51453 1 . LYS 72 72 51453 1 . THR 73 73 51453 1 . THR 74 74 51453 1 . GLY 75 75 51453 1 . TYR 76 76 51453 1 . ASP 77 77 51453 1 . THR 78 78 51453 1 . HIS 79 79 51453 1 . CYS 80 80 51453 1 . TYR 81 81 51453 1 . ILE 82 82 51453 1 . LEU 83 83 51453 1 . ASN 84 84 51453 1 . LEU 85 85 51453 1 . ALA 86 86 51453 1 . ILE 87 87 51453 1 . ALA 88 88 51453 1 . ASP 89 89 51453 1 . LEU 90 90 51453 1 . TRP 91 91 51453 1 . VAL 92 92 51453 1 . VAL 93 93 51453 1 . LEU 94 94 51453 1 . THR 95 95 51453 1 . ILE 96 96 51453 1 . PRO 97 97 51453 1 . VAL 98 98 51453 1 . TRP 99 99 51453 1 . VAL 100 100 51453 1 . VAL 101 101 51453 1 . SER 102 102 51453 1 . LEU 103 103 51453 1 . VAL 104 104 51453 1 . GLN 105 105 51453 1 . HIS 106 106 51453 1 . ASN 107 107 51453 1 . GLN 108 108 51453 1 . TRP 109 109 51453 1 . PRO 110 110 51453 1 . MET 111 111 51453 1 . GLY 112 112 51453 1 . GLU 113 113 51453 1 . LEU 114 114 51453 1 . THR 115 115 51453 1 . CYS 116 116 51453 1 . LYS 117 117 51453 1 . VAL 118 118 51453 1 . THR 119 119 51453 1 . HIS 120 120 51453 1 . LEU 121 121 51453 1 . ILE 122 122 51453 1 . PHE 123 123 51453 1 . SER 124 124 51453 1 . ILE 125 125 51453 1 . ASN 126 126 51453 1 . LEU 127 127 51453 1 . PHE 128 128 51453 1 . GLY 129 129 51453 1 . SER 130 130 51453 1 . ILE 131 131 51453 1 . PHE 132 132 51453 1 . PHE 133 133 51453 1 . LEU 134 134 51453 1 . THR 135 135 51453 1 . CYS 136 136 51453 1 . MET 137 137 51453 1 . SER 138 138 51453 1 . VAL 139 139 51453 1 . ASP 140 140 51453 1 . ARG 141 141 51453 1 . TYR 142 142 51453 1 . LEU 143 143 51453 1 . SER 144 144 51453 1 . ILE 145 145 51453 1 . THR 146 146 51453 1 . TYR 147 147 51453 1 . PHE 148 148 51453 1 . THR 149 149 51453 1 . ASN 150 150 51453 1 . THR 151 151 51453 1 . PRO 152 152 51453 1 . SER 153 153 51453 1 . SER 154 154 51453 1 . ARG 155 155 51453 1 . LYS 156 156 51453 1 . LYS 157 157 51453 1 . MET 158 158 51453 1 . VAL 159 159 51453 1 . ARG 160 160 51453 1 . ARG 161 161 51453 1 . VAL 162 162 51453 1 . VAL 163 163 51453 1 . CYS 164 164 51453 1 . ILE 165 165 51453 1 . LEU 166 166 51453 1 . VAL 167 167 51453 1 . TRP 168 168 51453 1 . LEU 169 169 51453 1 . LEU 170 170 51453 1 . ALA 171 171 51453 1 . PHE 172 172 51453 1 . CYS 173 173 51453 1 . VAL 174 174 51453 1 . SER 175 175 51453 1 . LEU 176 176 51453 1 . PRO 177 177 51453 1 . ASP 178 178 51453 1 . THR 179 179 51453 1 . TYR 180 180 51453 1 . TYR 181 181 51453 1 . LEU 182 182 51453 1 . LYS 183 183 51453 1 . THR 184 184 51453 1 . VAL 185 185 51453 1 . THR 186 186 51453 1 . SER 187 187 51453 1 . ALA 188 188 51453 1 . SER 189 189 51453 1 . ASN 190 190 51453 1 . ASN 191 191 51453 1 . GLU 192 192 51453 1 . THR 193 193 51453 1 . TYR 194 194 51453 1 . CYS 195 195 51453 1 . ARG 196 196 51453 1 . SER 197 197 51453 1 . PHE 198 198 51453 1 . TYR 199 199 51453 1 . PRO 200 200 51453 1 . GLU 201 201 51453 1 . HIS 202 202 51453 1 . SER 203 203 51453 1 . ILE 204 204 51453 1 . LYS 205 205 51453 1 . GLU 206 206 51453 1 . TRP 207 207 51453 1 . LEU 208 208 51453 1 . ILE 209 209 51453 1 . GLY 210 210 51453 1 . MET 211 211 51453 1 . GLU 212 212 51453 1 . LEU 213 213 51453 1 . VAL 214 214 51453 1 . SER 215 215 51453 1 . VAL 216 216 51453 1 . VAL 217 217 51453 1 . LEU 218 218 51453 1 . GLY 219 219 51453 1 . PHE 220 220 51453 1 . ALA 221 221 51453 1 . VAL 222 222 51453 1 . PRO 223 223 51453 1 . PHE 224 224 51453 1 . SER 225 225 51453 1 . ILE 226 226 51453 1 . ILE 227 227 51453 1 . ALA 228 228 51453 1 . VAL 229 229 51453 1 . PHE 230 230 51453 1 . TYR 231 231 51453 1 . PHE 232 232 51453 1 . LEU 233 233 51453 1 . LEU 234 234 51453 1 . ALA 235 235 51453 1 . ARG 236 236 51453 1 . ALA 237 237 51453 1 . ILE 238 238 51453 1 . SER 239 239 51453 1 . ALA 240 240 51453 1 . SER 241 241 51453 1 . SER 242 242 51453 1 . ASP 243 243 51453 1 . GLN 244 244 51453 1 . GLU 245 245 51453 1 . LYS 246 246 51453 1 . HIS 247 247 51453 1 . SER 248 248 51453 1 . SER 249 249 51453 1 . ARG 250 250 51453 1 . LYS 251 251 51453 1 . ILE 252 252 51453 1 . ILE 253 253 51453 1 . PHE 254 254 51453 1 . SER 255 255 51453 1 . TYR 256 256 51453 1 . VAL 257 257 51453 1 . VAL 258 258 51453 1 . VAL 259 259 51453 1 . PHE 260 260 51453 1 . LEU 261 261 51453 1 . VAL 262 262 51453 1 . CYS 263 263 51453 1 . TRP 264 264 51453 1 . LEU 265 265 51453 1 . PRO 266 266 51453 1 . TYR 267 267 51453 1 . HIS 268 268 51453 1 . VAL 269 269 51453 1 . ALA 270 270 51453 1 . VAL 271 271 51453 1 . LEU 272 272 51453 1 . LEU 273 273 51453 1 . ASP 274 274 51453 1 . ILE 275 275 51453 1 . PHE 276 276 51453 1 . SER 277 277 51453 1 . ILE 278 278 51453 1 . LEU 279 279 51453 1 . HIS 280 280 51453 1 . TYR 281 281 51453 1 . ILE 282 282 51453 1 . PRO 283 283 51453 1 . PHE 284 284 51453 1 . THR 285 285 51453 1 . CYS 286 286 51453 1 . ARG 287 287 51453 1 . LEU 288 288 51453 1 . GLU 289 289 51453 1 . HIS 290 290 51453 1 . ALA 291 291 51453 1 . LEU 292 292 51453 1 . PHE 293 293 51453 1 . THR 294 294 51453 1 . ALA 295 295 51453 1 . LEU 296 296 51453 1 . HIS 297 297 51453 1 . VAL 298 298 51453 1 . THR 299 299 51453 1 . GLN 300 300 51453 1 . CYS 301 301 51453 1 . LEU 302 302 51453 1 . SER 303 303 51453 1 . LEU 304 304 51453 1 . VAL 305 305 51453 1 . HIS 306 306 51453 1 . CYS 307 307 51453 1 . CYS 308 308 51453 1 . VAL 309 309 51453 1 . ASN 310 310 51453 1 . PRO 311 311 51453 1 . VAL 312 312 51453 1 . LEU 313 313 51453 1 . TYR 314 314 51453 1 . SER 315 315 51453 1 . PHE 316 316 51453 1 . ILE 317 317 51453 1 . ASN 318 318 51453 1 . ARG 319 319 51453 1 . ASN 320 320 51453 1 . TYR 321 321 51453 1 . ARG 322 322 51453 1 . TYR 323 323 51453 1 . GLU 324 324 51453 1 . LEU 325 325 51453 1 . MET 326 326 51453 1 . LYS 327 327 51453 1 . ALA 328 328 51453 1 . PHE 329 329 51453 1 . ILE 330 330 51453 1 . PHE 331 331 51453 1 . LYS 332 332 51453 1 . TYR 333 333 51453 1 . SER 334 334 51453 1 . ALA 335 335 51453 1 . LYS 336 336 51453 1 . THR 337 337 51453 1 . GLY 338 338 51453 1 . LEU 339 339 51453 1 . THR 340 340 51453 1 . LYS 341 341 51453 1 . LEU 342 342 51453 1 . ILE 343 343 51453 1 . ASP 344 344 51453 1 . ALA 345 345 51453 1 . SER 346 346 51453 1 . ARG 347 347 51453 1 . VAL 348 348 51453 1 . SER 349 349 51453 1 . GLU 350 350 51453 1 . THR 351 351 51453 1 . GLU 352 352 51453 1 . TYR 353 353 51453 1 . SER 354 354 51453 1 . ALA 355 355 51453 1 . LEU 356 356 51453 1 . GLU 357 357 51453 1 . GLN 358 358 51453 1 . SER 359 359 51453 1 . THR 360 360 51453 1 . LYS 361 361 51453 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 51453 _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 . . . . . . . . . . . . . 51453 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 51453 _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' 'Spodoptera frugiperda' . . . Spodoptera frugiperda . . . plasmid . . pFastBac . . . 51453 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51453 _Sample.ID 1 _Sample.Name 1 _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 entity_1 '[13C MET]' . . 1 $entity_1 . . . . . mM . . . . 51453 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 51453 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 51453 1 4 MNG 'natural abundance' . . . . . . 0.025 . . % . . . . 51453 1 5 CHS 'natural abundance' . . . . . . 0.005 . . % . . . . 51453 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 51453 _Sample_condition_list.ID 1 _Sample_condition_list.Name 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 161 . mM 51453 1 pH 7.4 . pH 51453 1 pressure 1 . atm 51453 1 temperature 310 . K 51453 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51453 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51453 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51453 _Software.ID 2 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51453 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 51453 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Avance Neo 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 51453 _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 HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51453 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 51453 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 51453 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 . . . . . 51453 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 51453 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name ACKR3-LIH383 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _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 HSQC' . . . 51453 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 51453 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 58 58 MET HE1 H 1 1.644 0.02 . . . . . . . 59 MET QE . 51453 1 2 . 1 . 1 58 58 MET HE2 H 1 1.644 0.02 . . . . . . . 59 MET QE . 51453 1 3 . 1 . 1 58 58 MET HE3 H 1 1.644 0.02 . . . . . . . 59 MET QE . 51453 1 4 . 1 . 1 58 58 MET CE C 13 16.660 0.1 . . . . . . . 59 MET CE . 51453 1 5 . 1 . 1 137 137 MET HE1 H 1 1.378 0.02 . . . . . . . 138 MET QE . 51453 1 6 . 1 . 1 137 137 MET HE2 H 1 1.378 0.02 . . . . . . . 138 MET QE . 51453 1 7 . 1 . 1 137 137 MET HE3 H 1 1.378 0.02 . . . . . . . 138 MET QE . 51453 1 8 . 1 . 1 137 137 MET CE C 13 15.960 0.1 . . . . . . . 138 MET CE . 51453 1 9 . 1 . 1 158 158 MET HE1 H 1 2.106 0.02 . . . . . . . 159 MET QE . 51453 1 10 . 1 . 1 158 158 MET HE2 H 1 2.106 0.02 . . . . . . . 159 MET QE . 51453 1 11 . 1 . 1 158 158 MET HE3 H 1 2.106 0.02 . . . . . . . 159 MET QE . 51453 1 12 . 1 . 1 158 158 MET CE C 13 17.613 0.1 . . . . . . . 159 MET CE . 51453 1 13 . 1 . 1 211 211 MET HE1 H 1 2.209 0.02 . . . . . . . 212 MET QE . 51453 1 14 . 1 . 1 211 211 MET HE2 H 1 2.209 0.02 . . . . . . . 212 MET QE . 51453 1 15 . 1 . 1 211 211 MET HE3 H 1 2.209 0.02 . . . . . . . 212 MET QE . 51453 1 16 . 1 . 1 211 211 MET CE C 13 16.440 0.1 . . . . . . . 212 MET CE . 51453 1 stop_ save_