data_53017 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53017 _Entry.Title ; NMR Chemical Shifts and Assignments for the 15N-Tyrosine and 15N-Valine Labeled YY-b1AR Construct of the Turkey b1-Adrenergic Receptor in Complex with the Full Agonist Isoprenaline ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-04-09 _Entry.Accession_date 2025-04-09 _Entry.Last_release_date 2025-04-10 _Entry.Original_release_date 2025-04-10 _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 Ivana Petrovic . . . . 53017 2 Meltem Tatli . . . . 53017 3 Samit Desai . . . . 53017 4 Anne Grahl . . . . 53017 5 Dongchun Ni . . . . 53017 6 Henning Stahlberg . . . . 53017 7 Anne Spang . . . . 53017 8 Stephan Grzesiek . . . . 53017 9 Layara Abiko . A. . . 53017 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 53017 spectral_peak_list 2 53017 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 39 53017 '1H chemical shifts' 39 53017 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2025-04-28 . original BMRB . 53017 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53026 '15N-tyrosine and 15N-valine labeled YY-b1AR construct of the turkey b1-adrenergic receptor in complex with carvedilol' 53017 BMRB 53027 '15N-tyrosine and 15N-valine labeled YY-b1AR construct of the turkey b1-adrenergic receptor in complex with the cyanopindolol' 53017 BMRB 53028 ; 15N-tyrosine- and 15N-valine-labeled YY-b1AR construct of the Turkey b1-adrenergic receptor in complex with isoprenaline and the G protein-mimicking Nb80 ; 53017 BMRB 53029 ; 15N-tyrosine-labeled YY-b1AR construct of the Turkey b1-adrenergic receptor in complex with carvedilol in the presence of G protein-mimicking Nb80 ; 53017 BMRB 53030 ; 15N-tyrosine-labeled YY-b1AR construct of the Turkey b1-adrenergic receptor in complex with carvedilol in the presence of G protein-mimicking miniGs ; 53017 BMRB 53031 ; 15N-tyrosine- and 15N-valine-labeled YY-b1AR construct of the Turkey b1-adrenergic receptor in complex with carvedilol, arrestin2, and the phosphopeptide V2Rpp ; 53017 BMRB 53032 '15N-valine labeled TS-b1AR construct of the Turkey b1-adrenergic receptor in complex with carvedilol' 53017 BMRB 53033 ; 15N-valine labeled TS-b1AR construct of the Turkey b1-adrenergic receptor in complex with carvedilol, arrestin2, and the phosphopeptide V2Rpp ; 53017 BMRB 53034 '15N-tyrosine labeled V129I-b1AR construct of the Turkey B1-adrenergic receptor in complex with isoprenaline' 53017 BMRB 53035 ; 15N-tyrosine labeled V129I-b1AR construct of the Turkey B1-adrenergic receptor in complex with isoprenaline and the G protein mimicking Nb80 ; 53017 BMRB 53036 ; 15N-tyrosine labeled V129I-b1AR construct of the Turkey B1-adrenergic receptor in complex with isoprenaline, arrestin2, and the phosphopeptide V2Rpp ; 53017 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53017 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Arrestin recognizes GPCRs independently of the receptor state ; _Citation.Status 'in press' _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ivana Petrovic . . . . 53017 1 2 Meltem Tatli . . . . 53017 1 3 Samit Desai . . . . 53017 1 4 Anne Grahl . . . . 53017 1 5 Dongchun Ni . . . . 53017 1 6 Henning Stahlberg . . . . 53017 1 7 Anne Spang . . . . 53017 1 8 Stephan Grzesiek . . . . 53017 1 9 Layara Abiko . A. . . 53017 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'G protein-coupled receptor' 53017 1 'arrestin promiscuity' 53017 1 'arrestin recruitment' 53017 1 'b1-adrenergic receptor' 53017 1 'biased agonism' 53017 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53017 _Assembly.ID 1 _Assembly.Name 'YY-b1-adrenergic receptor in complex with isoprenaline' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 1 _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 'YY-b1-adrenergic receptor in complex with isoprenaline, conformer 1' 1 $entity_1 . . yes native yes no . . . 53017 1 2 'YY-b1-adrenergic receptor in complex with isoprenaline, conformer 2' 1 $entity_1 . . yes native yes no . . . 53017 1 3 Isoprenaline 2 $entity_5FW . . no native yes no . . . 53017 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53017 _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 ; MGAELLSQQWEAGMSLLMAL VVLLIVAGNVLVIAAIGSTQ RLQTLTNLFITSLACADLVV GLLVVPFGATLVVRGTWLWG SFLCELWTSLDVLCVTASVE TLCVIAIDRYLAITSPFRYQ SLMTRARAKVIICTVWAISA LVSFLPIMMHWWRDEDPQAL KCYQDPGCCEFVTNRAYAIA SSIISFYIPLLIMIFVYLRV YREAKEQIRKIDRASKRKTS RVMLMREHKALKTLGIIMGV FTLCWLPFFLVNIVNVFNRD LVPKWLFVAFNWLGYANSAM NPIIYCRSPDFRKAFKRLLA FPRKADRRLHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; The sequence numbering starts at methionine 31. The B1AR sequence comprises residues 33-367, with deletions of residues 246-274 and the inclusion of stabilizing point mutations. For accurate residue numbering, please refer to the provided residue table (residue_table_YYB1AR.xlsx). ; _Entity.Polymer_author_seq_details ; YY refers to the native residues Y227 (5x58) and Y343 (7x53), which were reintroduced from the fully thermostabilized Turkey_TS-B1AR construct. ; _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 315 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and 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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'G-protein coupled receptor' 53017 1 stop_ 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 31 MET . 53017 1 2 32 GLY . 53017 1 3 33 ALA . 53017 1 4 34 GLU . 53017 1 5 35 LEU . 53017 1 6 36 LEU . 53017 1 7 37 SER . 53017 1 8 38 GLN . 53017 1 9 39 GLN . 53017 1 10 40 TRP . 53017 1 11 41 GLU . 53017 1 12 42 ALA . 53017 1 13 43 GLY . 53017 1 14 44 MET . 53017 1 15 45 SER . 53017 1 16 46 LEU . 53017 1 17 47 LEU . 53017 1 18 48 MET . 53017 1 19 49 ALA . 53017 1 20 50 LEU . 53017 1 21 51 VAL . 53017 1 22 52 VAL . 53017 1 23 53 LEU . 53017 1 24 54 LEU . 53017 1 25 55 ILE . 53017 1 26 56 VAL . 53017 1 27 57 ALA . 53017 1 28 58 GLY . 53017 1 29 59 ASN . 53017 1 30 60 VAL . 53017 1 31 61 LEU . 53017 1 32 62 VAL . 53017 1 33 63 ILE . 53017 1 34 64 ALA . 53017 1 35 65 ALA . 53017 1 36 66 ILE . 53017 1 37 67 GLY . 53017 1 38 68 SER . 53017 1 39 69 THR . 53017 1 40 70 GLN . 53017 1 41 71 ARG . 53017 1 42 72 LEU . 53017 1 43 73 GLN . 53017 1 44 74 THR . 53017 1 45 75 LEU . 53017 1 46 76 THR . 53017 1 47 77 ASN . 53017 1 48 78 LEU . 53017 1 49 79 PHE . 53017 1 50 80 ILE . 53017 1 51 81 THR . 53017 1 52 82 SER . 53017 1 53 83 LEU . 53017 1 54 84 ALA . 53017 1 55 85 CYS . 53017 1 56 86 ALA . 53017 1 57 87 ASP . 53017 1 58 88 LEU . 53017 1 59 89 VAL . 53017 1 60 90 VAL . 53017 1 61 91 GLY . 53017 1 62 92 LEU . 53017 1 63 93 LEU . 53017 1 64 94 VAL . 53017 1 65 95 VAL . 53017 1 66 96 PRO . 53017 1 67 97 PHE . 53017 1 68 98 GLY . 53017 1 69 99 ALA . 53017 1 70 100 THR . 53017 1 71 101 LEU . 53017 1 72 102 VAL . 53017 1 73 103 VAL . 53017 1 74 104 ARG . 53017 1 75 105 GLY . 53017 1 76 106 THR . 53017 1 77 107 TRP . 53017 1 78 108 LEU . 53017 1 79 109 TRP . 53017 1 80 110 GLY . 53017 1 81 111 SER . 53017 1 82 112 PHE . 53017 1 83 113 LEU . 53017 1 84 114 CYS . 53017 1 85 115 GLU . 53017 1 86 116 LEU . 53017 1 87 117 TRP . 53017 1 88 118 THR . 53017 1 89 119 SER . 53017 1 90 120 LEU . 53017 1 91 121 ASP . 53017 1 92 122 VAL . 53017 1 93 123 LEU . 53017 1 94 124 CYS . 53017 1 95 125 VAL . 53017 1 96 126 THR . 53017 1 97 127 ALA . 53017 1 98 128 SER . 53017 1 99 129 VAL . 53017 1 100 130 GLU . 53017 1 101 131 THR . 53017 1 102 132 LEU . 53017 1 103 133 CYS . 53017 1 104 134 VAL . 53017 1 105 135 ILE . 53017 1 106 136 ALA . 53017 1 107 137 ILE . 53017 1 108 138 ASP . 53017 1 109 139 ARG . 53017 1 110 140 TYR . 53017 1 111 141 LEU . 53017 1 112 142 ALA . 53017 1 113 143 ILE . 53017 1 114 144 THR . 53017 1 115 145 SER . 53017 1 116 146 PRO . 53017 1 117 147 PHE . 53017 1 118 148 ARG . 53017 1 119 149 TYR . 53017 1 120 150 GLN . 53017 1 121 151 SER . 53017 1 122 152 LEU . 53017 1 123 153 MET . 53017 1 124 154 THR . 53017 1 125 155 ARG . 53017 1 126 156 ALA . 53017 1 127 157 ARG . 53017 1 128 158 ALA . 53017 1 129 159 LYS . 53017 1 130 160 VAL . 53017 1 131 161 ILE . 53017 1 132 162 ILE . 53017 1 133 163 CYS . 53017 1 134 164 THR . 53017 1 135 165 VAL . 53017 1 136 166 TRP . 53017 1 137 167 ALA . 53017 1 138 168 ILE . 53017 1 139 169 SER . 53017 1 140 170 ALA . 53017 1 141 171 LEU . 53017 1 142 172 VAL . 53017 1 143 173 SER . 53017 1 144 174 PHE . 53017 1 145 175 LEU . 53017 1 146 176 PRO . 53017 1 147 177 ILE . 53017 1 148 178 MET . 53017 1 149 179 MET . 53017 1 150 180 HIS . 53017 1 151 181 TRP . 53017 1 152 182 TRP . 53017 1 153 183 ARG . 53017 1 154 184 ASP . 53017 1 155 185 GLU . 53017 1 156 186 ASP . 53017 1 157 187 PRO . 53017 1 158 188 GLN . 53017 1 159 189 ALA . 53017 1 160 190 LEU . 53017 1 161 191 LYS . 53017 1 162 192 CYS . 53017 1 163 193 TYR . 53017 1 164 194 GLN . 53017 1 165 195 ASP . 53017 1 166 196 PRO . 53017 1 167 197 GLY . 53017 1 168 198 CYS . 53017 1 169 199 CYS . 53017 1 170 200 GLU . 53017 1 171 201 PHE . 53017 1 172 202 VAL . 53017 1 173 203 THR . 53017 1 174 204 ASN . 53017 1 175 205 ARG . 53017 1 176 206 ALA . 53017 1 177 207 TYR . 53017 1 178 208 ALA . 53017 1 179 209 ILE . 53017 1 180 210 ALA . 53017 1 181 211 SER . 53017 1 182 212 SER . 53017 1 183 213 ILE . 53017 1 184 214 ILE . 53017 1 185 215 SER . 53017 1 186 216 PHE . 53017 1 187 217 TYR . 53017 1 188 218 ILE . 53017 1 189 219 PRO . 53017 1 190 220 LEU . 53017 1 191 221 LEU . 53017 1 192 222 ILE . 53017 1 193 223 MET . 53017 1 194 224 ILE . 53017 1 195 225 PHE . 53017 1 196 226 VAL . 53017 1 197 227 TYR . 53017 1 198 228 LEU . 53017 1 199 229 ARG . 53017 1 200 230 VAL . 53017 1 201 231 TYR . 53017 1 202 232 ARG . 53017 1 203 233 GLU . 53017 1 204 234 ALA . 53017 1 205 235 LYS . 53017 1 206 236 GLU . 53017 1 207 237 GLN . 53017 1 208 238 ILE . 53017 1 209 239 ARG . 53017 1 210 240 LYS . 53017 1 211 241 ILE . 53017 1 212 242 ASP . 53017 1 213 243 ARG . 53017 1 214 244 ALA . 53017 1 215 245 SER . 53017 1 216 246 LYS . 53017 1 217 275 ARG . 53017 1 218 276 LYS . 53017 1 219 277 THR . 53017 1 220 278 SER . 53017 1 221 279 ARG . 53017 1 222 280 VAL . 53017 1 223 281 MET . 53017 1 224 282 LEU . 53017 1 225 283 MET . 53017 1 226 284 ARG . 53017 1 227 285 GLU . 53017 1 228 286 HIS . 53017 1 229 287 LYS . 53017 1 230 288 ALA . 53017 1 231 289 LEU . 53017 1 232 290 LYS . 53017 1 233 291 THR . 53017 1 234 292 LEU . 53017 1 235 293 GLY . 53017 1 236 294 ILE . 53017 1 237 295 ILE . 53017 1 238 296 MET . 53017 1 239 297 GLY . 53017 1 240 298 VAL . 53017 1 241 299 PHE . 53017 1 242 300 THR . 53017 1 243 301 LEU . 53017 1 244 302 CYS . 53017 1 245 303 TRP . 53017 1 246 304 LEU . 53017 1 247 305 PRO . 53017 1 248 306 PHE . 53017 1 249 307 PHE . 53017 1 250 308 LEU . 53017 1 251 309 VAL . 53017 1 252 310 ASN . 53017 1 253 311 ILE . 53017 1 254 312 VAL . 53017 1 255 313 ASN . 53017 1 256 314 VAL . 53017 1 257 315 PHE . 53017 1 258 316 ASN . 53017 1 259 317 ARG . 53017 1 260 318 ASP . 53017 1 261 319 LEU . 53017 1 262 320 VAL . 53017 1 263 321 PRO . 53017 1 264 322 LYS . 53017 1 265 323 TRP . 53017 1 266 324 LEU . 53017 1 267 325 PHE . 53017 1 268 326 VAL . 53017 1 269 327 ALA . 53017 1 270 328 PHE . 53017 1 271 329 ASN . 53017 1 272 330 TRP . 53017 1 273 331 LEU . 53017 1 274 332 GLY . 53017 1 275 333 TYR . 53017 1 276 334 ALA . 53017 1 277 335 ASN . 53017 1 278 336 SER . 53017 1 279 337 ALA . 53017 1 280 338 MET . 53017 1 281 339 ASN . 53017 1 282 340 PRO . 53017 1 283 341 ILE . 53017 1 284 342 ILE . 53017 1 285 343 TYR . 53017 1 286 344 CYS . 53017 1 287 345 ARG . 53017 1 288 346 SER . 53017 1 289 347 PRO . 53017 1 290 348 ASP . 53017 1 291 349 PHE . 53017 1 292 350 ARG . 53017 1 293 351 LYS . 53017 1 294 352 ALA . 53017 1 295 353 PHE . 53017 1 296 354 LYS . 53017 1 297 355 ARG . 53017 1 298 356 LEU . 53017 1 299 357 LEU . 53017 1 300 358 ALA . 53017 1 301 359 PHE . 53017 1 302 360 PRO . 53017 1 303 361 ARG . 53017 1 304 362 LYS . 53017 1 305 363 ALA . 53017 1 306 364 ASP . 53017 1 307 365 ARG . 53017 1 308 366 ARG . 53017 1 309 367 LEU . 53017 1 310 368 HIS . 53017 1 311 369 HIS . 53017 1 312 370 HIS . 53017 1 313 371 HIS . 53017 1 314 372 HIS . 53017 1 315 373 HIS . 53017 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 53017 1 . GLY 2 2 53017 1 . ALA 3 3 53017 1 . GLU 4 4 53017 1 . LEU 5 5 53017 1 . LEU 6 6 53017 1 . SER 7 7 53017 1 . GLN 8 8 53017 1 . GLN 9 9 53017 1 . TRP 10 10 53017 1 . GLU 11 11 53017 1 . ALA 12 12 53017 1 . GLY 13 13 53017 1 . MET 14 14 53017 1 . SER 15 15 53017 1 . LEU 16 16 53017 1 . LEU 17 17 53017 1 . MET 18 18 53017 1 . ALA 19 19 53017 1 . LEU 20 20 53017 1 . VAL 21 21 53017 1 . VAL 22 22 53017 1 . LEU 23 23 53017 1 . LEU 24 24 53017 1 . ILE 25 25 53017 1 . VAL 26 26 53017 1 . ALA 27 27 53017 1 . GLY 28 28 53017 1 . ASN 29 29 53017 1 . VAL 30 30 53017 1 . LEU 31 31 53017 1 . VAL 32 32 53017 1 . ILE 33 33 53017 1 . ALA 34 34 53017 1 . ALA 35 35 53017 1 . ILE 36 36 53017 1 . GLY 37 37 53017 1 . SER 38 38 53017 1 . THR 39 39 53017 1 . GLN 40 40 53017 1 . ARG 41 41 53017 1 . LEU 42 42 53017 1 . GLN 43 43 53017 1 . THR 44 44 53017 1 . LEU 45 45 53017 1 . THR 46 46 53017 1 . ASN 47 47 53017 1 . LEU 48 48 53017 1 . PHE 49 49 53017 1 . ILE 50 50 53017 1 . THR 51 51 53017 1 . SER 52 52 53017 1 . LEU 53 53 53017 1 . ALA 54 54 53017 1 . CYS 55 55 53017 1 . ALA 56 56 53017 1 . ASP 57 57 53017 1 . LEU 58 58 53017 1 . VAL 59 59 53017 1 . VAL 60 60 53017 1 . GLY 61 61 53017 1 . LEU 62 62 53017 1 . LEU 63 63 53017 1 . VAL 64 64 53017 1 . VAL 65 65 53017 1 . PRO 66 66 53017 1 . PHE 67 67 53017 1 . GLY 68 68 53017 1 . ALA 69 69 53017 1 . THR 70 70 53017 1 . LEU 71 71 53017 1 . VAL 72 72 53017 1 . VAL 73 73 53017 1 . ARG 74 74 53017 1 . GLY 75 75 53017 1 . THR 76 76 53017 1 . TRP 77 77 53017 1 . LEU 78 78 53017 1 . TRP 79 79 53017 1 . GLY 80 80 53017 1 . SER 81 81 53017 1 . PHE 82 82 53017 1 . LEU 83 83 53017 1 . CYS 84 84 53017 1 . GLU 85 85 53017 1 . LEU 86 86 53017 1 . TRP 87 87 53017 1 . THR 88 88 53017 1 . SER 89 89 53017 1 . LEU 90 90 53017 1 . ASP 91 91 53017 1 . VAL 92 92 53017 1 . LEU 93 93 53017 1 . CYS 94 94 53017 1 . VAL 95 95 53017 1 . THR 96 96 53017 1 . ALA 97 97 53017 1 . SER 98 98 53017 1 . VAL 99 99 53017 1 . GLU 100 100 53017 1 . THR 101 101 53017 1 . LEU 102 102 53017 1 . CYS 103 103 53017 1 . VAL 104 104 53017 1 . ILE 105 105 53017 1 . ALA 106 106 53017 1 . ILE 107 107 53017 1 . ASP 108 108 53017 1 . ARG 109 109 53017 1 . TYR 110 110 53017 1 . LEU 111 111 53017 1 . ALA 112 112 53017 1 . ILE 113 113 53017 1 . THR 114 114 53017 1 . SER 115 115 53017 1 . PRO 116 116 53017 1 . PHE 117 117 53017 1 . ARG 118 118 53017 1 . TYR 119 119 53017 1 . GLN 120 120 53017 1 . SER 121 121 53017 1 . LEU 122 122 53017 1 . MET 123 123 53017 1 . THR 124 124 53017 1 . ARG 125 125 53017 1 . ALA 126 126 53017 1 . ARG 127 127 53017 1 . ALA 128 128 53017 1 . LYS 129 129 53017 1 . VAL 130 130 53017 1 . ILE 131 131 53017 1 . ILE 132 132 53017 1 . CYS 133 133 53017 1 . THR 134 134 53017 1 . VAL 135 135 53017 1 . TRP 136 136 53017 1 . ALA 137 137 53017 1 . ILE 138 138 53017 1 . SER 139 139 53017 1 . ALA 140 140 53017 1 . LEU 141 141 53017 1 . VAL 142 142 53017 1 . SER 143 143 53017 1 . PHE 144 144 53017 1 . LEU 145 145 53017 1 . PRO 146 146 53017 1 . ILE 147 147 53017 1 . MET 148 148 53017 1 . MET 149 149 53017 1 . HIS 150 150 53017 1 . TRP 151 151 53017 1 . TRP 152 152 53017 1 . ARG 153 153 53017 1 . ASP 154 154 53017 1 . GLU 155 155 53017 1 . ASP 156 156 53017 1 . PRO 157 157 53017 1 . GLN 158 158 53017 1 . ALA 159 159 53017 1 . LEU 160 160 53017 1 . LYS 161 161 53017 1 . CYS 162 162 53017 1 . TYR 163 163 53017 1 . GLN 164 164 53017 1 . ASP 165 165 53017 1 . PRO 166 166 53017 1 . GLY 167 167 53017 1 . CYS 168 168 53017 1 . CYS 169 169 53017 1 . GLU 170 170 53017 1 . PHE 171 171 53017 1 . VAL 172 172 53017 1 . THR 173 173 53017 1 . ASN 174 174 53017 1 . ARG 175 175 53017 1 . ALA 176 176 53017 1 . TYR 177 177 53017 1 . ALA 178 178 53017 1 . ILE 179 179 53017 1 . ALA 180 180 53017 1 . SER 181 181 53017 1 . SER 182 182 53017 1 . ILE 183 183 53017 1 . ILE 184 184 53017 1 . SER 185 185 53017 1 . PHE 186 186 53017 1 . TYR 187 187 53017 1 . ILE 188 188 53017 1 . PRO 189 189 53017 1 . LEU 190 190 53017 1 . LEU 191 191 53017 1 . ILE 192 192 53017 1 . MET 193 193 53017 1 . ILE 194 194 53017 1 . PHE 195 195 53017 1 . VAL 196 196 53017 1 . TYR 197 197 53017 1 . LEU 198 198 53017 1 . ARG 199 199 53017 1 . VAL 200 200 53017 1 . TYR 201 201 53017 1 . ARG 202 202 53017 1 . GLU 203 203 53017 1 . ALA 204 204 53017 1 . LYS 205 205 53017 1 . GLU 206 206 53017 1 . GLN 207 207 53017 1 . ILE 208 208 53017 1 . ARG 209 209 53017 1 . LYS 210 210 53017 1 . ILE 211 211 53017 1 . ASP 212 212 53017 1 . ARG 213 213 53017 1 . ALA 214 214 53017 1 . SER 215 215 53017 1 . LYS 216 216 53017 1 . ARG 217 217 53017 1 . LYS 218 218 53017 1 . THR 219 219 53017 1 . SER 220 220 53017 1 . ARG 221 221 53017 1 . VAL 222 222 53017 1 . MET 223 223 53017 1 . LEU 224 224 53017 1 . MET 225 225 53017 1 . ARG 226 226 53017 1 . GLU 227 227 53017 1 . HIS 228 228 53017 1 . LYS 229 229 53017 1 . ALA 230 230 53017 1 . LEU 231 231 53017 1 . LYS 232 232 53017 1 . THR 233 233 53017 1 . LEU 234 234 53017 1 . GLY 235 235 53017 1 . ILE 236 236 53017 1 . ILE 237 237 53017 1 . MET 238 238 53017 1 . GLY 239 239 53017 1 . VAL 240 240 53017 1 . PHE 241 241 53017 1 . THR 242 242 53017 1 . LEU 243 243 53017 1 . CYS 244 244 53017 1 . TRP 245 245 53017 1 . LEU 246 246 53017 1 . PRO 247 247 53017 1 . PHE 248 248 53017 1 . PHE 249 249 53017 1 . LEU 250 250 53017 1 . VAL 251 251 53017 1 . ASN 252 252 53017 1 . ILE 253 253 53017 1 . VAL 254 254 53017 1 . ASN 255 255 53017 1 . VAL 256 256 53017 1 . PHE 257 257 53017 1 . ASN 258 258 53017 1 . ARG 259 259 53017 1 . ASP 260 260 53017 1 . LEU 261 261 53017 1 . VAL 262 262 53017 1 . PRO 263 263 53017 1 . LYS 264 264 53017 1 . TRP 265 265 53017 1 . LEU 266 266 53017 1 . PHE 267 267 53017 1 . VAL 268 268 53017 1 . ALA 269 269 53017 1 . PHE 270 270 53017 1 . ASN 271 271 53017 1 . TRP 272 272 53017 1 . LEU 273 273 53017 1 . GLY 274 274 53017 1 . TYR 275 275 53017 1 . ALA 276 276 53017 1 . ASN 277 277 53017 1 . SER 278 278 53017 1 . ALA 279 279 53017 1 . MET 280 280 53017 1 . ASN 281 281 53017 1 . PRO 282 282 53017 1 . ILE 283 283 53017 1 . ILE 284 284 53017 1 . TYR 285 285 53017 1 . CYS 286 286 53017 1 . ARG 287 287 53017 1 . SER 288 288 53017 1 . PRO 289 289 53017 1 . ASP 290 290 53017 1 . PHE 291 291 53017 1 . ARG 292 292 53017 1 . LYS 293 293 53017 1 . ALA 294 294 53017 1 . PHE 295 295 53017 1 . LYS 296 296 53017 1 . ARG 297 297 53017 1 . LEU 298 298 53017 1 . LEU 299 299 53017 1 . ALA 300 300 53017 1 . PHE 301 301 53017 1 . PRO 302 302 53017 1 . ARG 303 303 53017 1 . LYS 304 304 53017 1 . ALA 305 305 53017 1 . ASP 306 306 53017 1 . ARG 307 307 53017 1 . ARG 308 308 53017 1 . LEU 309 309 53017 1 . HIS 310 310 53017 1 . HIS 311 311 53017 1 . HIS 312 312 53017 1 . HIS 313 313 53017 1 . HIS 314 314 53017 1 . HIS 315 315 53017 1 stop_ save_ save_entity_5FW _Entity.Sf_category entity _Entity.Sf_framecode entity_5FW _Entity.Entry_ID 53017 _Entity.ID 2 _Entity.BMRB_code 5FW _Entity.Name entity_5FW _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID 5FW _Entity.Nonpolymer_comp_label $chem_comp_5FW _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 211.258 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ISOPRENALINE BMRB 53017 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID ISOPRENALINE BMRB 53017 2 5FW 'Three letter code' 53017 2 stop_ 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 1 5FW $chem_comp_5FW 53017 2 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 53017 _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 . 9103 organism . 'Meleagris gallopavo' turkey . . Eukaryota Metazoa Meleagris gallopavo . . . . . . . . . . . . . 53017 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 53017 _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 . . . baculovirus . . pFastBac1 . . . 53017 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_5FW _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_5FW _Chem_comp.Entry_ID 53017 _Chem_comp.ID 5FW _Chem_comp.Provenance PDB _Chem_comp.Name ISOPRENALINE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code 5FW _Chem_comp.PDB_code 5FW _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code 5FW _Chem_comp.Number_atoms_all 32 _Chem_comp.Number_atoms_nh 15 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3/t11-/m0/s1 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C11 H17 N O3' _Chem_comp.Formula_weight 211.258 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2Y03 _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(C)NCC(c1ccc(c(c1)O)O)O SMILES 'OpenEye OEToolkits' 1.6.1 53017 5FW CC(C)NC[C@@H](c1ccc(c(c1)O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.6.1 53017 5FW CC(C)NC[C@H](O)c1ccc(O)c(O)c1 SMILES_CANONICAL CACTVS 3.352 53017 5FW CC(C)NC[CH](O)c1ccc(O)c(O)c1 SMILES CACTVS 3.352 53017 5FW InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3/t11-/m0/s1 InChI InChI 1.03 53017 5FW JWZZKOKVBUJMES-NSHDSACASA-N InChIKey InChI 1.03 53017 5FW stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 4-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.6.1 53017 5FW stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CAI CAI CAI CAI . C . . N 0 . . . 1 N N . . . . 12.882 . -12.863 . 17.954 . 5.220 -1.181 0.121 1 . 53017 5FW CAG CAG CAG CAG . C . . N 0 . . . 1 N N . . . . 11.430 . -12.467 . 17.738 . 3.970 -0.513 0.696 2 . 53017 5FW CAJ CAJ CAJ CAJ . C . . N 0 . . . 1 N N . . . . 10.561 . -13.712 . 17.824 . 4.359 0.804 1.371 3 . 53017 5FW NAD NAD NAD NAD . N . . N 0 . . . 1 N N . . . . 11.036 . -11.476 . 18.771 . 3.017 -0.243 -0.389 4 . 53017 5FW CAF CAF CAF CAF . C . . N 0 . . . 1 N N . . . . 9.593 . -11.236 . 18.970 . 1.642 -0.172 0.123 5 . 53017 5FW CAE CAE CAE CAE . C . . R 0 . . . 1 N N . . . . 9.391 . -10.150 . 20.037 . 0.680 0.109 -1.034 6 . 53017 5FW OAA OAA OAA OAA . O . . N 0 . . . 1 N N . . . . 9.894 . -10.592 . 21.308 . 1.025 1.353 -1.647 7 . 53017 5FW CAH CAH CAH CAH . C . . N 0 . . . 1 Y N . . . . 7.891 . -9.827 . 20.157 . -0.730 0.182 -0.508 8 . 53017 5FW CAK CAK CAK CAK . C . . N 0 . . . 1 Y N . . . . 7.235 . -9.238 . 19.074 . -1.538 -0.939 -0.544 9 . 53017 5FW CAL CAL CAL CAL . C . . N 0 . . . 1 Y N . . . . 7.177 . -10.130 . 21.336 . -1.211 1.368 0.014 10 . 53017 5FW CAN CAN CAN CAN . C . . N 0 . . . 1 Y N . . . . 5.810 . -9.842 . 21.416 . -2.505 1.440 0.498 11 . 53017 5FW CAO CAO CAO CAO . C . . N 0 . . . 1 Y N . . . . 5.163 . -9.257 . 20.324 . -3.321 0.322 0.460 12 . 53017 5FW OAC OAC OAC OAC . O . . N 0 . . . 1 N N . . . . 3.839 . -8.962 . 20.382 . -4.594 0.391 0.936 13 . 53017 5FW CAM CAM CAM CAM . C . . N 0 . . . 1 Y N . . . . 5.873 . -8.951 . 19.158 . -2.835 -0.874 -0.061 14 . 53017 5FW OAB OAB OAB OAB . O . . N 0 . . . 1 N N . . . . 5.233 . -8.367 . 18.102 . -3.632 -1.976 -0.095 15 . 53017 5FW HAI1 HAI1 HAI1 HAI1 . H . . N 0 . . . 0 N N . . . . 13.385 . -12.959 . 16.981 . 5.927 -1.381 0.926 16 . 53017 5FW HAI2 HAI2 HAI2 HAI2 . H . . N 0 . . . 0 N N . . . . 13.387 . -12.091 . 18.553 . 4.943 -2.119 -0.360 17 . 53017 5FW HAI3 HAI3 HAI3 HAI3 . H . . N 0 . . . 0 N N . . . . 12.924 . -13.826 . 18.484 . 5.682 -0.519 -0.612 18 . 53017 5FW HAG HAG HAG HAG . H . . N 0 . . . 1 N N . . . . 11.299 . -12.010 . 16.746 . 3.508 -1.174 1.428 19 . 53017 5FW HAJ1 HAJ1 HAJ1 HAJ1 . H . . N 0 . . . 0 N N . . . . 10.351 . -14.084 . 16.810 . 4.821 1.466 0.638 20 . 53017 5FW HAJ2 HAJ2 HAJ2 HAJ2 . H . . N 0 . . . 0 N N . . . . 11.089 . -14.488 . 18.397 . 3.468 1.280 1.780 21 . 53017 5FW HAJ3 HAJ3 HAJ3 HAJ3 . H . . N 0 . . . 0 N N . . . . 9.614 . -13.464 . 18.327 . 5.066 0.604 2.176 22 . 53017 5FW HAD HAD HAD HAD . H . . N 0 . . . 1 N N . . . . 11.398 . -11.806 . 19.643 . 3.262 0.601 -0.885 23 . 53017 5FW HAF1 HAF1 HAF1 HAF1 . H . . N 0 . . . 0 N N . . . . 9.144 . -10.905 . 18.022 . 1.379 -1.121 0.591 24 . 53017 5FW HAF2 HAF2 HAF2 HAF2 . H . . N 0 . . . 0 N N . . . . 9.111 . -12.167 . 19.302 . 1.569 0.629 0.859 25 . 53017 5FW HAE HAE HAE HAE . H . . N 0 . . . 1 N N . . . . 9.944 . -9.248 . 19.737 . 0.753 -0.691 -1.770 26 . 53017 5FW HAA HAA HAA HAA . H . . N 0 . . . 1 N N . . . . 10.838 . -10.690 . 21.259 . 0.982 2.112 -1.050 27 . 53017 5FW HAK HAK HAK HAK . H . . N 0 . . . 1 N N . . . . 7.782 . -9.005 . 18.172 . -1.159 -1.866 -0.948 28 . 53017 5FW HAL HAL HAL HAL . H . . N 0 . . . 1 N N . . . . 7.685 . -10.583 . 22.175 . -0.576 2.241 0.044 29 . 53017 5FW HAN HAN HAN HAN . H . . N 0 . . . 1 N N . . . . 5.258 . -10.070 . 22.316 . -2.878 2.368 0.906 30 . 53017 5FW HAC HAC HAC HAC . H . . N 0 . . . 1 N N . . . . 3.569 . -8.893 . 21.290 . -5.248 0.647 0.272 31 . 53017 5FW HAB HAB HAB HAB . H . . N 0 . . . 1 N N . . . . 4.319 . -8.231 . 18.321 . -3.575 -2.527 0.697 32 . 53017 5FW stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING CAI CAG N N 1 . 53017 5FW 2 . SING CAG CAJ N N 2 . 53017 5FW 3 . SING CAG NAD N N 3 . 53017 5FW 4 . SING NAD CAF N N 4 . 53017 5FW 5 . SING CAF CAE N N 5 . 53017 5FW 6 . SING CAE OAA N N 6 . 53017 5FW 7 . SING CAE CAH N N 7 . 53017 5FW 8 . SING CAH CAK Y N 8 . 53017 5FW 9 . DOUB CAH CAL Y N 9 . 53017 5FW 10 . DOUB CAK CAM Y N 10 . 53017 5FW 11 . SING CAL CAN Y N 11 . 53017 5FW 12 . DOUB CAN CAO Y N 12 . 53017 5FW 13 . SING CAO OAC N N 13 . 53017 5FW 14 . SING CAO CAM Y N 14 . 53017 5FW 15 . SING CAM OAB N N 15 . 53017 5FW 16 . SING CAI HAI1 N N 16 . 53017 5FW 17 . SING CAI HAI2 N N 17 . 53017 5FW 18 . SING CAI HAI3 N N 18 . 53017 5FW 19 . SING CAG HAG N N 19 . 53017 5FW 20 . SING CAJ HAJ1 N N 20 . 53017 5FW 21 . SING CAJ HAJ2 N N 21 . 53017 5FW 22 . SING CAJ HAJ3 N N 22 . 53017 5FW 23 . SING NAD HAD N N 23 . 53017 5FW 24 . SING CAF HAF1 N N 24 . 53017 5FW 25 . SING CAF HAF2 N N 25 . 53017 5FW 26 . SING CAE HAE N N 26 . 53017 5FW 27 . SING OAA HAA N N 27 . 53017 5FW 28 . SING CAK HAK N N 28 . 53017 5FW 29 . SING CAL HAL N N 29 . 53017 5FW 30 . SING CAN HAN N N 30 . 53017 5FW 31 . SING OAC HAC N N 31 . 53017 5FW 32 . SING OAB HAB N N 32 . 53017 5FW stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53017 _Sample.ID 1 _Sample.Name 15N-Tyr-YY-B1AR-isop _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Turkey B1AR' [U-15N]-Tyr . . 1 $entity_1 . . 190 . . uM . . . . 53017 1 2 Isoprenaline 'natural abundance' . . 2 $entity_5FW . . 2 . . mM . . . . 53017 1 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 53017 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 53017 1 5 n-Decyl-b-D-maltoside 'natural abundance' . . . . . . 65 . . mM . . . . 53017 1 6 ascorbate 'natural abundance' . . . . . . 20 . . mM . . . . 53017 1 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 53017 1 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 53017 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 53017 _Sample.ID 2 _Sample.Name 15N-Val-YY-B1AR-isop _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Turkey B1AR' [U-15N]-Val . . 1 $entity_1 . . 200 . . uM . . . . 53017 2 2 Isoprenaline 'natural abundance' . . 2 $entity_5FW . . 2 . . mM . . . . 53017 2 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 53017 2 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 53017 2 5 n-Decyl-b-D-maltoside 'natural abundance' . . . . . . 65 . . mM . . . . 53017 2 6 ascorbate 'natural abundance' . . . . . . 20 . . mM . . . . 53017 2 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 53017 2 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 53017 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 53017 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'sample conditions 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 pH 7.5 . pH 53017 1 pressure 1 . atm 53017 1 temperature 304 . K 53017 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53017 _Software.ID 1 _Software.Type . _Software.Name NMRDraw _Software.Version 11.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53017 1 'peak picking' . 53017 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53017 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 53017 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 53017 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name nmr900 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 53017 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53017 1 2 '2D 1H-15N TROSY' yes no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53017 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D 1H-15N TROSY' 1_YY-B1AR-isop_15N-Tyr.zip . 'NMR experiment directory' . 'For more details, please refer to the README file.' 53017 1 2 '2D 1H-15N TROSY' 1_YY-B1AR-isop_15N-Val.zip . 'NMR experiment directory' . 'For more details, please refer to the README file.' 53017 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 53017 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'chemical shift reference 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 H 1 water protons . . . . ppm 4.750 internal direct 1 . . . . . 53017 1 N 15 na nitrogen . . . . ppm 116.03712 external direct 1 . . . . . 53017 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 53017 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Assignments for YY-B1AR-isoprenaline active conformation' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 53017 1 2 '2D 1H-15N TROSY' . . . 53017 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 . . 53017 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 30 30 VAL H H 1 8.741 . . . . . . . . 60 VAL H . 53017 1 2 . 1 . 1 30 30 VAL N N 15 120.231 . . . . . . . . 60 VAL N . 53017 1 3 . 1 . 1 135 135 VAL H H 1 8.237 . . . . . . . . 165 VAL H . 53017 1 4 . 1 . 1 135 135 VAL N N 15 123.922 . . . . . . . . 165 VAL N . 53017 1 5 . 1 . 1 142 142 VAL H H 1 7.903 . . . . . . . . 172 VAL H . 53017 1 6 . 1 . 1 142 142 VAL N N 15 109.193 . . . . . . . . 172 VAL N . 53017 1 7 . 1 . 1 163 163 TYR H H 1 7.977 . . . . . . . . 193 TYR H . 53017 1 8 . 1 . 1 163 163 TYR N N 15 119.786 . . . . . . . . 193 TYR N . 53017 1 9 . 1 . 1 172 172 VAL H H 1 7.517 . . . . . . . . 202 VAL H . 53017 1 10 . 1 . 1 172 172 VAL N N 15 127.181 . . . . . . . . 202 VAL N . 53017 1 11 . 1 . 1 275 275 TYR H H 1 7.192 . . . . . . . . 333 TYR H . 53017 1 12 . 1 . 1 275 275 TYR N N 15 122.253 . . . . . . . . 333 TYR N . 53017 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 53017 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'Assignments for YY-B1AR-isoprenaline preactive conformation' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 53017 2 2 '2D 1H-15N TROSY' . . . 53017 2 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 . . 53017 2 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 26 26 VAL H H 1 8.988 . . . . . . . . 56 VAL H . 53017 2 2 . 1 . 1 26 26 VAL N N 15 119.699 . . . . . . . . 56 VAL N . 53017 2 3 . 1 . 1 30 30 VAL H H 1 8.658 . . . . . . . . 60 VAL H . 53017 2 4 . 1 . 1 30 30 VAL N N 15 121.037 . . . . . . . . 60 VAL N . 53017 2 5 . 1 . 1 32 32 VAL H H 1 7.724 . . . . . . . . 62 VAL H . 53017 2 6 . 1 . 1 32 32 VAL N N 15 118.719 . . . . . . . . 62 VAL N . 53017 2 7 . 1 . 1 60 60 VAL H H 1 7.797 . . . . . . . . 90 VAL H . 53017 2 8 . 1 . 1 60 60 VAL N N 15 122.635 . . . . . . . . 90 VAL N . 53017 2 9 . 1 . 1 64 64 VAL H H 1 7.505 . . . . . . . . 94 VAL H . 53017 2 10 . 1 . 1 64 64 VAL N N 15 119.273 . . . . . . . . 94 VAL N . 53017 2 11 . 1 . 1 65 65 VAL H H 1 9.406 . . . . . . . . 95 VAL H . 53017 2 12 . 1 . 1 65 65 VAL N N 15 120.792 . . . . . . . . 95 VAL N . 53017 2 13 . 1 . 1 72 72 VAL H H 1 7.965 . . . . . . . . 102 VAL H . 53017 2 14 . 1 . 1 72 72 VAL N N 15 120.378 . . . . . . . . 102 VAL N . 53017 2 15 . 1 . 1 73 73 VAL H H 1 8.3 . . . . . . . . 103 VAL H . 53017 2 16 . 1 . 1 73 73 VAL N N 15 115.884 . . . . . . . . 103 VAL N . 53017 2 17 . 1 . 1 92 92 VAL H H 1 7.21 . . . . . . . . 122 VAL H . 53017 2 18 . 1 . 1 92 92 VAL N N 15 117.992 . . . . . . . . 122 VAL N . 53017 2 19 . 1 . 1 95 95 VAL H H 1 7.566 . . . . . . . . 125 VAL H . 53017 2 20 . 1 . 1 95 95 VAL N N 15 121.915 . . . . . . . . 125 VAL N . 53017 2 21 . 1 . 1 99 99 VAL H H 1 8.048 . . . . . . . . 129 VAL H . 53017 2 22 . 1 . 1 99 99 VAL N N 15 122.262 . . . . . . . . 129 VAL N . 53017 2 23 . 1 . 1 104 104 VAL H H 1 7.775 . . . . . . . . 134 VAL H . 53017 2 24 . 1 . 1 104 104 VAL N N 15 119.309 . . . . . . . . 134 VAL N . 53017 2 25 . 1 . 1 110 110 TYR H H 1 8.642 . . . . . . . . 140 TYR H . 53017 2 26 . 1 . 1 110 110 TYR N N 15 121.44 . . . . . . . . 140 TYR N . 53017 2 27 . 1 . 1 119 119 TYR H H 1 8.506 . . . . . . . . 149 TYR H . 53017 2 28 . 1 . 1 119 119 TYR N N 15 121.505 . . . . . . . . 149 TYR N . 53017 2 29 . 1 . 1 130 130 VAL H H 1 7.729 . . . . . . . . 160 VAL H . 53017 2 30 . 1 . 1 130 130 VAL N N 15 120.475 . . . . . . . . 160 VAL N . 53017 2 31 . 1 . 1 135 135 VAL H H 1 8.534 . . . . . . . . 165 VAL H . 53017 2 32 . 1 . 1 135 135 VAL N N 15 122.373 . . . . . . . . 165 VAL N . 53017 2 33 . 1 . 1 142 142 VAL H H 1 8.159 . . . . . . . . 172 VAL H . 53017 2 34 . 1 . 1 142 142 VAL N N 15 109.625 . . . . . . . . 172 VAL N . 53017 2 35 . 1 . 1 172 172 VAL H H 1 7.809 . . . . . . . . 202 VAL H . 53017 2 36 . 1 . 1 172 172 VAL N N 15 126.115 . . . . . . . . 202 VAL N . 53017 2 37 . 1 . 1 177 177 TYR H H 1 9.347 . . . . . . . . 207 TYR H . 53017 2 38 . 1 . 1 177 177 TYR N N 15 117.826 . . . . . . . . 207 TYR N . 53017 2 39 . 1 . 1 187 187 TYR H H 1 8.093 . . . . . . . . 217 TYR H . 53017 2 40 . 1 . 1 187 187 TYR N N 15 115.631 . . . . . . . . 217 TYR N . 53017 2 41 . 1 . 1 196 196 VAL H H 1 8.861 . . . . . . . . 226 VAL H . 53017 2 42 . 1 . 1 196 196 VAL N N 15 118.109 . . . . . . . . 226 VAL N . 53017 2 43 . 1 . 1 197 197 TYR H H 1 9.009 . . . . . . . . 227 TYR H . 53017 2 44 . 1 . 1 197 197 TYR N N 15 122.04 . . . . . . . . 227 TYR N . 53017 2 45 . 1 . 1 200 200 VAL H H 1 8.547 . . . . . . . . 230 VAL H . 53017 2 46 . 1 . 1 200 200 VAL N N 15 121.389 . . . . . . . . 230 VAL N . 53017 2 47 . 1 . 1 201 201 TYR H H 1 8.514 . . . . . . . . 231 TYR H . 53017 2 48 . 1 . 1 201 201 TYR N N 15 120.859 . . . . . . . . 231 TYR N . 53017 2 49 . 1 . 1 222 222 VAL H H 1 7.934 . . . . . . . . 280 VAL H . 53017 2 50 . 1 . 1 222 222 VAL N N 15 119.191 . . . . . . . . 280 VAL N . 53017 2 51 . 1 . 1 240 240 VAL H H 1 9.144 . . . . . . . . 298 VAL H . 53017 2 52 . 1 . 1 240 240 VAL N N 15 122.493 . . . . . . . . 298 VAL N . 53017 2 53 . 1 . 1 251 251 VAL H H 1 8.204 . . . . . . . . 309 VAL H . 53017 2 54 . 1 . 1 251 251 VAL N N 15 118.135 . . . . . . . . 309 VAL N . 53017 2 55 . 1 . 1 254 254 VAL H H 1 8.29 . . . . . . . . 312 VAL H . 53017 2 56 . 1 . 1 254 254 VAL N N 15 121.776 . . . . . . . . 312 VAL N . 53017 2 57 . 1 . 1 256 256 VAL H H 1 7.214 . . . . . . . . 314 VAL H . 53017 2 58 . 1 . 1 256 256 VAL N N 15 112.377 . . . . . . . . 314 VAL N . 53017 2 59 . 1 . 1 262 262 VAL H H 1 8.685 . . . . . . . . 320 VAL H . 53017 2 60 . 1 . 1 262 262 VAL N N 15 118.47 . . . . . . . . 320 VAL N . 53017 2 61 . 1 . 1 268 268 VAL H H 1 8.091 . . . . . . . . 326 VAL H . 53017 2 62 . 1 . 1 268 268 VAL N N 15 117.357 . . . . . . . . 326 VAL N . 53017 2 63 . 1 . 1 275 275 TYR H H 1 7.224 . . . . . . . . 333 TYR H . 53017 2 64 . 1 . 1 275 275 TYR N N 15 123.262 . . . . . . . . 333 TYR N . 53017 2 65 . 1 . 1 285 285 TYR H H 1 8.448 . . . . . . . . 343 TYR H . 53017 2 66 . 1 . 1 285 285 TYR N N 15 117.861 . . . . . . . . 343 TYR N . 53017 2 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 53017 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name 'Peak table for the active state of 15N-valine labeled YY-B1AR' _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 1H-15N TROSY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details ; Peak table merged from 1H-15N TROSY spectra measured with 15N-valine and 15N-tyrosine-labeled YY-B1AR in complex with isoprenaline. ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; VARS INDEX X_AXIS Y_AXIS DX DY X_PPM Y_PPM X_HZ Y_HZ XW YW XW_HZ YW_HZ X1 X3 Y1 Y3 HEIGHT DHEIGHT VOL PCHI2 TYPE ASS CLUSTID MEMCNT FORMAT %5d %9.3f %9.3f %6.3f %6.3f %8.3f %8.3f %9.3f %9.3f %7.3f %7.3f %8.3f %8.3f %4d %4d %4d %4d %+e %+e %+e %.5f %d %s %4d %4d NULLVALUE -666 NULLSTRING * 41 192.949 476.391 1.213 5.674 109.193 7.903 9961.103 7114.062 5.091 14.052 49.717 82.468 188 196 465 486 +3.439644e+06 +7.969650e+05 +0.000000e+00 0.00000 1 172a 32 2 42 24.916 535.513 1.213 5.674 127.181 7.517 11602.048 6767.088 5.091 14.052 49.717 82.468 20 28 525 546 +3.387622e+06 +7.969650e+05 +0.000000e+00 0.00000 1 202a 33 1 46 89.831 347.891 1.213 5.674 120.231 8.741 10968.115 7868.201 5.091 14.052 49.717 82.468 85 93 337 358 +3.751321e+06 +7.969650e+05 +0.000000e+00 0.00000 1 60a 29 2 47 55.354 425.112 1.213 5.674 123.922 8.237 11304.798 7415.010 5.091 14.052 49.717 82.468 51 59 414 435 +3.306743e+06 +7.969650e+05 +0.000000e+00 0.00000 1 165a 37 1 53 93.979 465.086 0.625 3.414 119.786 7.977 10927.486 7180.408 5.184 13.974 50.627 82.012 90 98 455 475 +2.199836e+07 +5.821724e+05 +1.877842e+09 0.00000 1 193a 8 1 54 70.933 585.358 1.406 5.620 122.253 7.192 11152.548 6474.561 4.268 13.945 41.680 81.841 69 73 578 593 +6.800990e+06 +5.832494e+05 +3.485487e+08 0.00000 1 333a 11 1 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . 1H 1 NH . 'not observed' 12019.2307692308 Hz . . . . . . 53017 1 2 . . 15N 15 NH . 'not observed' 2500 Hz . . . . . . 53017 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 53017 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 53017 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name 'Peak table for the preactive state of 15N-valine labeled YY-B1AR' _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 1H-15N TROSY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details ; Peak table merged from 1H-15N TROSY spectra measured with 15N-valine and 15N-tyrosine-labeled YY-B1AR in complex with isoprenaline. ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; VARS INDEX X_AXIS Y_AXIS DX DY X_PPM Y_PPM X_HZ Y_HZ XW YW XW_HZ YW_HZ X1 X3 Y1 Y3 HEIGHT DHEIGHT VOL PCHI2 TYPE ASS CLUSTID MEMCNT FORMAT %5d %9.3f %9.3f %6.3f %6.3f %8.3f %8.3f %9.3f %9.3f %7.3f %7.3f %8.3f %8.3f %4d %4d %4d %4d %+e %+e %+e %.5f %d %s %4d %4d NULLVALUE -666 NULLSTRING * 1 84.595 245.780 2.317 12.452 120.792 9.406 11019.242 8467.466 5.063 15.960 49.442 93.667 81 88 235 257 +9.929321e+06 +6.021099e+05 +8.759542e+08 0.00000 1 95p 1 1 2 68.707 285.950 1.020 3.750 122.493 9.144 11174.397 8231.720 5.126 13.606 50.054 79.848 65 73 276 296 +1.909988e+07 +5.981504e+05 +1.569283e+09 0.00000 1 298p 2 1 5 109.659 329.356 0.891 5.674 118.109 8.861 10774.480 7976.975 4.782 13.887 46.703 81.502 107 113 319 339 +2.074025e+07 +6.011726e+05 +1.525374e+09 0.00000 1 226p 5 2 7 106.281 356.434 0.365 3.195 118.470 8.685 10807.466 7818.062 4.781 14.563 46.692 85.468 103 109 346 366 +4.573468e+07 +5.994459e+05 +3.435751e+09 0.00000 1 320p 5 2 12 69.830 379.630 0.781 7.382 122.373 8.534 11163.437 7681.934 4.789 14.619 46.770 85.795 67 73 370 390 +1.780840e+07 +5.965250e+05 +1.357309e+09 0.00000 1 165p 11 1 13 130.441 415.546 0.668 3.221 115.884 8.300 10571.526 7471.149 5.091 12.857 49.717 75.454 126 134 407 425 +3.710796e+07 +6.047968e+05 +2.741085e+09 0.00000 1 103p 12 1 14 75.406 416.967 1.932 5.244 121.776 8.290 11108.978 7462.807 5.695 14.313 55.614 84.002 71 79 407 427 +1.509780e+07 +6.003232e+05 +1.449957e+09 0.00000 1 312p 13 2 17 109.415 430.195 1.482 5.658 118.135 8.204 10776.864 7385.178 5.130 14.025 50.093 82.309 106 113 420 440 +1.620177e+07 +6.023622e+05 +1.353621e+09 0.00000 1 309p 15 2 20 116.681 447.583 1.213 9.472 117.357 8.091 10705.909 7283.132 5.303 15.965 51.784 93.695 113 121 437 459 +1.805225e+07 +5.993258e+05 +1.831992e+09 0.00000 1 326p 15 2 21 70.860 454.148 1.537 7.233 122.262 8.048 11153.378 7244.604 5.525 14.012 53.957 82.235 67 75 444 464 +1.150261e+07 +5.951631e+05 +1.072640e+09 0.00000 1 129p 18 1 25 34.868 490.783 1.166 6.619 126.115 7.809 11504.865 7029.599 5.158 13.552 50.368 79.536 31 38 481 500 +1.309148e+07 +5.953436e+05 +1.016323e+09 0.00000 1 202p 21 1 26 67.377 492.610 1.244 9.167 122.635 7.797 11187.389 7018.880 4.713 14.716 46.030 86.366 64 70 483 503 +1.534121e+07 +6.027657e+05 +1.140115e+09 0.00000 1 90p 22 1 27 98.446 496.081 1.353 3.036 119.309 7.775 10883.983 6998.506 5.669 13.130 55.357 77.057 95 102 487 505 +2.275397e+07 +6.018222e+05 +2.093762e+09 0.00000 1 134p 17 6 28 87.555 503.017 0.621 1.889 120.475 7.729 10990.342 6957.800 4.864 13.288 47.501 77.984 85 91 494 512 +3.645026e+07 +6.044379e+05 +2.488082e+09 0.00000 1 160p 17 6 29 103.961 503.876 0.612 2.390 118.719 7.724 10830.121 6952.762 5.786 12.950 56.509 75.999 100 108 495 513 +2.874302e+07 +5.944461e+05 +2.596679e+09 0.00000 1 62p 17 6 30 74.106 528.131 0.749 4.828 121.915 7.566 11121.677 6810.414 4.823 14.176 47.100 83.196 71 77 518 538 +1.722494e+07 +5.949170e+05 +1.263762e+09 0.00000 1 125p 23 1 32 98.780 537.431 1.230 11.441 119.273 7.505 10880.715 6755.836 5.049 15.123 49.311 88.751 95 102 526 548 +1.360646e+07 +5.974199e+05 +1.184646e+09 0.00000 1 94p 25 1 34 163.203 582.013 1.499 4.429 112.377 7.214 10251.590 6494.195 5.883 13.115 57.448 76.969 159 167 573 591 +1.469112e+07 +5.956339e+05 +1.275415e+09 0.00000 1 314p 27 1 35 110.755 582.626 1.632 11.073 117.992 7.210 10763.780 6490.596 4.939 13.506 48.233 79.261 108 114 573 592 +1.024569e+07 +5.980704e+05 +7.150333e+08 0.00000 1 122p 28 1 36 82.304 360.645 1.244 7.382 121.037 8.658 11041.615 7793.347 5.091 14.052 49.717 82.468 78 85 350 370 +2.061861e+07 +7.969650e+05 +0.000000e+00 0.00000 1 60p 29 2 37 79.019 377.541 1.244 7.382 121.389 8.547 11073.695 7694.188 5.091 14.052 49.717 82.468 75 82 367 387 +1.625628e+07 +7.969650e+05 +0.000000e+00 0.00000 1 230p 30 1 38 99.551 471.677 1.244 7.382 119.191 7.934 10873.193 7141.729 5.091 14.052 49.717 82.468 96 103 461 481 +3.532252e+07 +7.969650e+05 +0.000000e+00 0.00000 1 280p 17 6 39 88.464 466.849 1.244 7.382 120.378 7.965 10981.464 7170.061 5.091 14.052 49.717 82.468 84 91 456 476 +1.124256e+07 +7.969650e+05 +0.000000e+00 0.00000 1 102p 31 1 40 188.911 437.177 1.213 5.674 109.625 8.159 10000.533 7344.199 5.091 14.052 49.717 82.468 184 192 426 447 +1.376450e+07 +7.969650e+05 +0.000000e+00 0.00000 1 172p 32 2 44 94.800 309.883 1.213 5.674 119.699 8.988 10919.585 8091.256 5.091 14.052 49.717 82.468 90 98 299 320 +2.649443e+07 +7.969650e+05 +0.000000e+00 0.00000 1 56p 35 1 48 112.292 254.936 1.453 5.620 117.826 9.347 10748.653 8413.728 4.869 18.961 47.544 111.275 109 115 243 268 +1.183959e+07 +5.862579e+05 +1.155881e+09 0.00000 1 207p 1 1 49 72.923 306.727 0.873 5.620 122.040 9.009 11133.115 8109.784 5.095 13.495 49.758 79.197 70 77 297 317 +1.573349e+07 +5.828782e+05 +1.231079e+09 0.00000 1 227p 2 1 50 77.921 383.952 0.734 3.590 121.505 8.506 11084.307 7656.568 6.461 16.999 63.092 99.763 73 83 372 396 +3.007982e+07 +5.821249e+05 +4.113673e+09 0.00000 1 149p 3 3 51 111.967 392.838 0.656 4.436 117.861 8.448 10751.828 7604.417 4.876 13.982 47.613 82.055 109 115 383 403 +1.863106e+07 +5.823500e+05 +1.397915e+09 0.00000 1 343p 4 1 52 132.798 447.289 3.438 5.620 115.631 8.093 10548.398 7284.857 4.975 17.438 48.586 102.339 131 134 442 454 +4.486922e+06 +5.843760e+05 +1.904138e+08 0.00000 1 217p 6 1 55 61.511 580.516 1.247 5.620 123.262 7.224 11244.564 6502.979 4.939 15.043 48.232 88.284 59 65 570 592 +1.971283e+07 +5.949214e+05 +1.598342e+09 0.00000 1 333p 10 1 57 83.955 382.593 1.247 5.620 120.859 8.514 11025.383 7664.543 4.876 13.974 47.617 82.010 80 87 372 393 +1.528878e+07 +7.806910e+05 +0.000000e+00 0.00000 1 231p 3 3 58 78.530 362.981 1.247 5.620 121.440 8.642 11078.362 7779.637 4.876 13.974 47.617 82.010 75 82 352 373 +1.266520e+07 +7.806910e+05 +0.000000e+00 0.00000 1 140p 3 3 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . 1H 1 NH . 'not observed' 12019.2307692308 Hz . . . . . . 53017 2 2 . . 15N 15 NH . 'not observed' 2500 Hz . . . . . . 53017 2 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 53017 2 stop_ save_ ######################### # Other kinds of data # ######################### save_other_data_types_1 _Other_data_type_list.Sf_category other_data_types _Other_data_type_list.Sf_framecode other_data_types_1 _Other_data_type_list.Entry_ID 53017 _Other_data_type_list.ID 1 _Other_data_type_list.Name 'GPCR residue numbering table' _Other_data_type_list.Definition 'residue numbering table' _Other_data_type_list.Sample_condition_list_ID 1 _Other_data_type_list.Sample_condition_list_label $sample_conditions_1 _Other_data_type_list.Chem_shift_reference_ID . _Other_data_type_list.Chem_shift_reference_label . _Other_data_type_list.Details 'This residue table provides both Ballesteros-Weinstein and sequence numbering for the YY-b1AR construct.' _Other_data_type_list.Text_data_format . _Other_data_type_list.Text_data . loop_ _Other_data_experiment.Experiment_ID _Other_data_experiment.Experiment_name _Other_data_experiment.Sample_ID _Other_data_experiment.Sample_label _Other_data_experiment.Sample_state _Other_data_experiment.Entry_ID _Other_data_experiment.Other_data_type_list_ID 1 '2D 1H-15N TROSY' . . . 53017 1 2 '2D 1H-15N TROSY' . . . 53017 1 stop_ loop_ _Other_data_software.Software_ID _Other_data_software.Software_label _Other_data_software.Method_ID _Other_data_software.Method_label _Other_data_software.Entry_ID _Other_data_software.Other_data_type_list_ID 1 $software_1 . . 53017 1 2 $software_2 . . 53017 1 stop_ save_