data_27292 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27292 _Entry.Title ; Methyl-methionine resonance assignments for Turkey beta-1 adrenergic receptor, Delta5 mutant, Apo form ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-10-26 _Entry.Accession_date 2017-10-26 _Entry.Last_release_date 2017-10-26 _Entry.Original_release_date 2017-10-26 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 . 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 Andras Solt . . . . 27292 2 Mark Bostock . J. . . 27292 3 Binesh Shrestha . . . . 27292 4 Prashant Kumar . . . . 27292 5 Tony Warne . . . . 27292 6 Christopher Tate . G. . . 27292 7 Daniel Nietlispach . . . . 27292 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 27292 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 14 27292 '1H chemical shifts' 42 27292 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 . . 2018-01-29 . original BMRB . 27292 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27293 'Turkey beta-1 adrenergic receptor, Delta5 mutant, Isoprenaline-bound form' 27292 BMRB 27294 'Turkey beta-1 adrenergic receptor, Delta5-L190M mutant, Apo form' 27292 BMRB 27295 'Turkey beta-1 adrenergic receptor, Delta5-L190M mutant, Isoprenaline-bound form' 27292 BMRB 27296 ; Turkey beta-1 adrenergic receptor, Delta5-L190M mutant, bound to nanobody Nb6B9, without orthosteric ligand ; 27292 BMRB 27297 ; Turkey beta-1 adrenergic receptor, Delta5-L190M mutant, bound to nanobody Nb6B9 and full agonist isoprenaline ; 27292 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27292 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/s41467-017-02008-y _Citation.PubMed_ID 29176642 _Citation.Full_citation . _Citation.Title ; Insight into partial agonism by observing multiple equilibria for ligand-bound and Gs-mimetic nanobody-bound beta1-adrenergic receptor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 8 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1795 _Citation.Page_last 1795 _Citation.Year 2017 _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 Andras Solt . . . . 27292 1 2 Mark Bostock . J. . . 27292 1 3 Binesh Shrestha . . . . 27292 1 4 Prashant Kumar . . . . 27292 1 5 Tony Warne . . . . 27292 1 6 Christopher Tate . G. . . 27292 1 7 Daniel Nietlispach . . . . 27292 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID GPCR 27292 1 'Solution NMR' 27292 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27292 _Assembly.ID 1 _Assembly.Name 'Turkey beta-1 adrenergic receptor, Delta5 mutant, Apo form' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Turkey beta-1 adrenergic receptor, Delta5 mutant, Apo form, conformer 1' 1 $Turkey_B1AR A . yes native no no . . . 27292 1 2 'Turkey beta-1 adrenergic receptor, Delta5 mutant, Apo form, conformer 2' 1 $Turkey_B1AR B . yes native yes no . . . 27292 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 162 162 SG . 1 . 1 CYS 168 168 SG . . . 192 CYS SG . . . 198 CYS SG 27292 1 2 disulfide single . 1 . 1 CYS 84 84 SG . 1 . 1 CYS 169 169 SG . . . 114 CYS SG . . . 199 CYS SG 27292 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Turkey_B1AR _Entity.Sf_category entity _Entity.Sf_framecode Turkey_B1AR _Entity.Entry_ID 27292 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Turkey_B1AR _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 ; MGAELLSQQWEAGLSLLLAL VVLLIVAGNVLVIAAIGSTQ RLQTLTNLFITSLACADLVM GLLVVPFGATLVVRGTWLWG SFLCELWTSLDVLCVTASIW TLCVIAIDRYLAITSPFRYQ SLMTRARAKVIICTVWAISA LVSFLPIMLHWWRDEDPQAL KCYQDPGCCDFVTNRAYAIA SSIISFYIPLLIMIFVYLRV YREAKEQIRKIDRASKRKTS RVAAMREHKALKTLGIIMGV FTLCWLPFFLVNIVNVFNRD LVPDWLFVAFNWLGYANSAA NPIIYCRSPDFRKAFKRLLA FPRKADRRLHHHHHHHH ; _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 317 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _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' 27292 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 1 MET . 27292 1 2 2 GLY . 27292 1 3 33 ALA . 27292 1 4 34 GLU . 27292 1 5 35 LEU . 27292 1 6 36 LEU . 27292 1 7 37 SER . 27292 1 8 38 GLN . 27292 1 9 39 GLN . 27292 1 10 40 TRP . 27292 1 11 41 GLU . 27292 1 12 42 ALA . 27292 1 13 43 GLY . 27292 1 14 44 LEU . 27292 1 15 45 SER . 27292 1 16 46 LEU . 27292 1 17 47 LEU . 27292 1 18 48 LEU . 27292 1 19 49 ALA . 27292 1 20 50 LEU . 27292 1 21 51 VAL . 27292 1 22 52 VAL . 27292 1 23 53 LEU . 27292 1 24 54 LEU . 27292 1 25 55 ILE . 27292 1 26 56 VAL . 27292 1 27 57 ALA . 27292 1 28 58 GLY . 27292 1 29 59 ASN . 27292 1 30 60 VAL . 27292 1 31 61 LEU . 27292 1 32 62 VAL . 27292 1 33 63 ILE . 27292 1 34 64 ALA . 27292 1 35 65 ALA . 27292 1 36 66 ILE . 27292 1 37 67 GLY . 27292 1 38 68 SER . 27292 1 39 69 THR . 27292 1 40 70 GLN . 27292 1 41 71 ARG . 27292 1 42 72 LEU . 27292 1 43 73 GLN . 27292 1 44 74 THR . 27292 1 45 75 LEU . 27292 1 46 76 THR . 27292 1 47 77 ASN . 27292 1 48 78 LEU . 27292 1 49 79 PHE . 27292 1 50 80 ILE . 27292 1 51 81 THR . 27292 1 52 82 SER . 27292 1 53 83 LEU . 27292 1 54 84 ALA . 27292 1 55 85 CYS . 27292 1 56 86 ALA . 27292 1 57 87 ASP . 27292 1 58 88 LEU . 27292 1 59 89 VAL . 27292 1 60 90 MET . 27292 1 61 91 GLY . 27292 1 62 92 LEU . 27292 1 63 93 LEU . 27292 1 64 94 VAL . 27292 1 65 95 VAL . 27292 1 66 96 PRO . 27292 1 67 97 PHE . 27292 1 68 98 GLY . 27292 1 69 99 ALA . 27292 1 70 100 THR . 27292 1 71 101 LEU . 27292 1 72 102 VAL . 27292 1 73 103 VAL . 27292 1 74 104 ARG . 27292 1 75 105 GLY . 27292 1 76 106 THR . 27292 1 77 107 TRP . 27292 1 78 108 LEU . 27292 1 79 109 TRP . 27292 1 80 110 GLY . 27292 1 81 111 SER . 27292 1 82 112 PHE . 27292 1 83 113 LEU . 27292 1 84 114 CYS . 27292 1 85 115 GLU . 27292 1 86 116 LEU . 27292 1 87 117 TRP . 27292 1 88 118 THR . 27292 1 89 119 SER . 27292 1 90 120 LEU . 27292 1 91 121 ASP . 27292 1 92 122 VAL . 27292 1 93 123 LEU . 27292 1 94 124 CYS . 27292 1 95 125 VAL . 27292 1 96 126 THR . 27292 1 97 127 ALA . 27292 1 98 128 SER . 27292 1 99 129 ILE . 27292 1 100 130 TRP . 27292 1 101 131 THR . 27292 1 102 132 LEU . 27292 1 103 133 CYS . 27292 1 104 134 VAL . 27292 1 105 135 ILE . 27292 1 106 136 ALA . 27292 1 107 137 ILE . 27292 1 108 138 ASP . 27292 1 109 139 ARG . 27292 1 110 140 TYR . 27292 1 111 141 LEU . 27292 1 112 142 ALA . 27292 1 113 143 ILE . 27292 1 114 144 THR . 27292 1 115 145 SER . 27292 1 116 146 PRO . 27292 1 117 147 PHE . 27292 1 118 148 ARG . 27292 1 119 149 TYR . 27292 1 120 150 GLN . 27292 1 121 151 SER . 27292 1 122 152 LEU . 27292 1 123 153 MET . 27292 1 124 154 THR . 27292 1 125 155 ARG . 27292 1 126 156 ALA . 27292 1 127 157 ARG . 27292 1 128 158 ALA . 27292 1 129 159 LYS . 27292 1 130 160 VAL . 27292 1 131 161 ILE . 27292 1 132 162 ILE . 27292 1 133 163 CYS . 27292 1 134 164 THR . 27292 1 135 165 VAL . 27292 1 136 166 TRP . 27292 1 137 167 ALA . 27292 1 138 168 ILE . 27292 1 139 169 SER . 27292 1 140 170 ALA . 27292 1 141 171 LEU . 27292 1 142 172 VAL . 27292 1 143 173 SER . 27292 1 144 174 PHE . 27292 1 145 175 LEU . 27292 1 146 176 PRO . 27292 1 147 177 ILE . 27292 1 148 178 MET . 27292 1 149 179 LEU . 27292 1 150 180 HIS . 27292 1 151 181 TRP . 27292 1 152 182 TRP . 27292 1 153 183 ARG . 27292 1 154 184 ASP . 27292 1 155 185 GLU . 27292 1 156 186 ASP . 27292 1 157 187 PRO . 27292 1 158 188 GLN . 27292 1 159 189 ALA . 27292 1 160 190 LEU . 27292 1 161 191 LYS . 27292 1 162 192 CYS . 27292 1 163 193 TYR . 27292 1 164 194 GLN . 27292 1 165 195 ASP . 27292 1 166 196 PRO . 27292 1 167 197 GLY . 27292 1 168 198 CYS . 27292 1 169 199 CYS . 27292 1 170 200 ASP . 27292 1 171 201 PHE . 27292 1 172 202 VAL . 27292 1 173 203 THR . 27292 1 174 204 ASN . 27292 1 175 205 ARG . 27292 1 176 206 ALA . 27292 1 177 207 TYR . 27292 1 178 208 ALA . 27292 1 179 209 ILE . 27292 1 180 210 ALA . 27292 1 181 211 SER . 27292 1 182 212 SER . 27292 1 183 213 ILE . 27292 1 184 214 ILE . 27292 1 185 215 SER . 27292 1 186 216 PHE . 27292 1 187 217 TYR . 27292 1 188 218 ILE . 27292 1 189 219 PRO . 27292 1 190 220 LEU . 27292 1 191 221 LEU . 27292 1 192 222 ILE . 27292 1 193 223 MET . 27292 1 194 224 ILE . 27292 1 195 225 PHE . 27292 1 196 226 VAL . 27292 1 197 227 TYR . 27292 1 198 228 LEU . 27292 1 199 229 ARG . 27292 1 200 230 VAL . 27292 1 201 231 TYR . 27292 1 202 232 ARG . 27292 1 203 233 GLU . 27292 1 204 234 ALA . 27292 1 205 235 LYS . 27292 1 206 236 GLU . 27292 1 207 237 GLN . 27292 1 208 238 ILE . 27292 1 209 239 ARG . 27292 1 210 240 LYS . 27292 1 211 241 ILE . 27292 1 212 242 ASP . 27292 1 213 243 ARG . 27292 1 214 272 ALA . 27292 1 215 273 SER . 27292 1 216 274 LYS . 27292 1 217 275 ARG . 27292 1 218 276 LYS . 27292 1 219 277 THR . 27292 1 220 278 SER . 27292 1 221 279 ARG . 27292 1 222 280 VAL . 27292 1 223 281 ALA . 27292 1 224 282 ALA . 27292 1 225 283 MET . 27292 1 226 284 ARG . 27292 1 227 285 GLU . 27292 1 228 286 HIS . 27292 1 229 287 LYS . 27292 1 230 288 ALA . 27292 1 231 289 LEU . 27292 1 232 290 LYS . 27292 1 233 291 THR . 27292 1 234 292 LEU . 27292 1 235 293 GLY . 27292 1 236 294 ILE . 27292 1 237 295 ILE . 27292 1 238 296 MET . 27292 1 239 297 GLY . 27292 1 240 298 VAL . 27292 1 241 299 PHE . 27292 1 242 300 THR . 27292 1 243 301 LEU . 27292 1 244 302 CYS . 27292 1 245 303 TRP . 27292 1 246 304 LEU . 27292 1 247 305 PRO . 27292 1 248 306 PHE . 27292 1 249 307 PHE . 27292 1 250 308 LEU . 27292 1 251 309 VAL . 27292 1 252 310 ASN . 27292 1 253 311 ILE . 27292 1 254 312 VAL . 27292 1 255 313 ASN . 27292 1 256 314 VAL . 27292 1 257 315 PHE . 27292 1 258 316 ASN . 27292 1 259 317 ARG . 27292 1 260 318 ASP . 27292 1 261 319 LEU . 27292 1 262 320 VAL . 27292 1 263 321 PRO . 27292 1 264 322 ASP . 27292 1 265 323 TRP . 27292 1 266 324 LEU . 27292 1 267 325 PHE . 27292 1 268 326 VAL . 27292 1 269 327 ALA . 27292 1 270 328 PHE . 27292 1 271 329 ASN . 27292 1 272 330 TRP . 27292 1 273 331 LEU . 27292 1 274 332 GLY . 27292 1 275 333 TYR . 27292 1 276 334 ALA . 27292 1 277 335 ASN . 27292 1 278 336 SER . 27292 1 279 337 ALA . 27292 1 280 338 ALA . 27292 1 281 339 ASN . 27292 1 282 340 PRO . 27292 1 283 341 ILE . 27292 1 284 342 ILE . 27292 1 285 343 TYR . 27292 1 286 344 CYS . 27292 1 287 345 ARG . 27292 1 288 346 SER . 27292 1 289 347 PRO . 27292 1 290 348 ASP . 27292 1 291 349 PHE . 27292 1 292 350 ARG . 27292 1 293 351 LYS . 27292 1 294 352 ALA . 27292 1 295 353 PHE . 27292 1 296 354 LYS . 27292 1 297 355 ARG . 27292 1 298 356 LEU . 27292 1 299 357 LEU . 27292 1 300 358 ALA . 27292 1 301 359 PHE . 27292 1 302 360 PRO . 27292 1 303 361 ARG . 27292 1 304 362 LYS . 27292 1 305 363 ALA . 27292 1 306 364 ASP . 27292 1 307 365 ARG . 27292 1 308 366 ARG . 27292 1 309 367 LEU . 27292 1 310 484 HIS . 27292 1 311 485 HIS . 27292 1 312 486 HIS . 27292 1 313 487 HIS . 27292 1 314 488 HIS . 27292 1 315 489 HIS . 27292 1 316 490 HIS . 27292 1 317 491 HIS . 27292 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 27292 1 . GLY 2 2 27292 1 . ALA 3 3 27292 1 . GLU 4 4 27292 1 . LEU 5 5 27292 1 . LEU 6 6 27292 1 . SER 7 7 27292 1 . GLN 8 8 27292 1 . GLN 9 9 27292 1 . TRP 10 10 27292 1 . GLU 11 11 27292 1 . ALA 12 12 27292 1 . GLY 13 13 27292 1 . LEU 14 14 27292 1 . SER 15 15 27292 1 . LEU 16 16 27292 1 . LEU 17 17 27292 1 . LEU 18 18 27292 1 . ALA 19 19 27292 1 . LEU 20 20 27292 1 . VAL 21 21 27292 1 . VAL 22 22 27292 1 . LEU 23 23 27292 1 . LEU 24 24 27292 1 . ILE 25 25 27292 1 . VAL 26 26 27292 1 . ALA 27 27 27292 1 . GLY 28 28 27292 1 . ASN 29 29 27292 1 . VAL 30 30 27292 1 . LEU 31 31 27292 1 . VAL 32 32 27292 1 . ILE 33 33 27292 1 . ALA 34 34 27292 1 . ALA 35 35 27292 1 . ILE 36 36 27292 1 . GLY 37 37 27292 1 . SER 38 38 27292 1 . THR 39 39 27292 1 . GLN 40 40 27292 1 . ARG 41 41 27292 1 . LEU 42 42 27292 1 . GLN 43 43 27292 1 . THR 44 44 27292 1 . LEU 45 45 27292 1 . THR 46 46 27292 1 . ASN 47 47 27292 1 . LEU 48 48 27292 1 . PHE 49 49 27292 1 . ILE 50 50 27292 1 . THR 51 51 27292 1 . SER 52 52 27292 1 . LEU 53 53 27292 1 . ALA 54 54 27292 1 . CYS 55 55 27292 1 . ALA 56 56 27292 1 . ASP 57 57 27292 1 . LEU 58 58 27292 1 . VAL 59 59 27292 1 . MET 60 60 27292 1 . GLY 61 61 27292 1 . LEU 62 62 27292 1 . LEU 63 63 27292 1 . VAL 64 64 27292 1 . VAL 65 65 27292 1 . PRO 66 66 27292 1 . PHE 67 67 27292 1 . GLY 68 68 27292 1 . ALA 69 69 27292 1 . THR 70 70 27292 1 . LEU 71 71 27292 1 . VAL 72 72 27292 1 . VAL 73 73 27292 1 . ARG 74 74 27292 1 . GLY 75 75 27292 1 . THR 76 76 27292 1 . TRP 77 77 27292 1 . LEU 78 78 27292 1 . TRP 79 79 27292 1 . GLY 80 80 27292 1 . SER 81 81 27292 1 . PHE 82 82 27292 1 . LEU 83 83 27292 1 . CYS 84 84 27292 1 . GLU 85 85 27292 1 . LEU 86 86 27292 1 . TRP 87 87 27292 1 . THR 88 88 27292 1 . SER 89 89 27292 1 . LEU 90 90 27292 1 . ASP 91 91 27292 1 . VAL 92 92 27292 1 . LEU 93 93 27292 1 . CYS 94 94 27292 1 . VAL 95 95 27292 1 . THR 96 96 27292 1 . ALA 97 97 27292 1 . SER 98 98 27292 1 . ILE 99 99 27292 1 . TRP 100 100 27292 1 . THR 101 101 27292 1 . LEU 102 102 27292 1 . CYS 103 103 27292 1 . VAL 104 104 27292 1 . ILE 105 105 27292 1 . ALA 106 106 27292 1 . ILE 107 107 27292 1 . ASP 108 108 27292 1 . ARG 109 109 27292 1 . TYR 110 110 27292 1 . LEU 111 111 27292 1 . ALA 112 112 27292 1 . ILE 113 113 27292 1 . THR 114 114 27292 1 . SER 115 115 27292 1 . PRO 116 116 27292 1 . PHE 117 117 27292 1 . ARG 118 118 27292 1 . TYR 119 119 27292 1 . GLN 120 120 27292 1 . SER 121 121 27292 1 . LEU 122 122 27292 1 . MET 123 123 27292 1 . THR 124 124 27292 1 . ARG 125 125 27292 1 . ALA 126 126 27292 1 . ARG 127 127 27292 1 . ALA 128 128 27292 1 . LYS 129 129 27292 1 . VAL 130 130 27292 1 . ILE 131 131 27292 1 . ILE 132 132 27292 1 . CYS 133 133 27292 1 . THR 134 134 27292 1 . VAL 135 135 27292 1 . TRP 136 136 27292 1 . ALA 137 137 27292 1 . ILE 138 138 27292 1 . SER 139 139 27292 1 . ALA 140 140 27292 1 . LEU 141 141 27292 1 . VAL 142 142 27292 1 . SER 143 143 27292 1 . PHE 144 144 27292 1 . LEU 145 145 27292 1 . PRO 146 146 27292 1 . ILE 147 147 27292 1 . MET 148 148 27292 1 . LEU 149 149 27292 1 . HIS 150 150 27292 1 . TRP 151 151 27292 1 . TRP 152 152 27292 1 . ARG 153 153 27292 1 . ASP 154 154 27292 1 . GLU 155 155 27292 1 . ASP 156 156 27292 1 . PRO 157 157 27292 1 . GLN 158 158 27292 1 . ALA 159 159 27292 1 . LEU 160 160 27292 1 . LYS 161 161 27292 1 . CYS 162 162 27292 1 . TYR 163 163 27292 1 . GLN 164 164 27292 1 . ASP 165 165 27292 1 . PRO 166 166 27292 1 . GLY 167 167 27292 1 . CYS 168 168 27292 1 . CYS 169 169 27292 1 . ASP 170 170 27292 1 . PHE 171 171 27292 1 . VAL 172 172 27292 1 . THR 173 173 27292 1 . ASN 174 174 27292 1 . ARG 175 175 27292 1 . ALA 176 176 27292 1 . TYR 177 177 27292 1 . ALA 178 178 27292 1 . ILE 179 179 27292 1 . ALA 180 180 27292 1 . SER 181 181 27292 1 . SER 182 182 27292 1 . ILE 183 183 27292 1 . ILE 184 184 27292 1 . SER 185 185 27292 1 . PHE 186 186 27292 1 . TYR 187 187 27292 1 . ILE 188 188 27292 1 . PRO 189 189 27292 1 . LEU 190 190 27292 1 . LEU 191 191 27292 1 . ILE 192 192 27292 1 . MET 193 193 27292 1 . ILE 194 194 27292 1 . PHE 195 195 27292 1 . VAL 196 196 27292 1 . TYR 197 197 27292 1 . LEU 198 198 27292 1 . ARG 199 199 27292 1 . VAL 200 200 27292 1 . TYR 201 201 27292 1 . ARG 202 202 27292 1 . GLU 203 203 27292 1 . ALA 204 204 27292 1 . LYS 205 205 27292 1 . GLU 206 206 27292 1 . GLN 207 207 27292 1 . ILE 208 208 27292 1 . ARG 209 209 27292 1 . LYS 210 210 27292 1 . ILE 211 211 27292 1 . ASP 212 212 27292 1 . ARG 213 213 27292 1 . ALA 214 214 27292 1 . SER 215 215 27292 1 . LYS 216 216 27292 1 . ARG 217 217 27292 1 . LYS 218 218 27292 1 . THR 219 219 27292 1 . SER 220 220 27292 1 . ARG 221 221 27292 1 . VAL 222 222 27292 1 . ALA 223 223 27292 1 . ALA 224 224 27292 1 . MET 225 225 27292 1 . ARG 226 226 27292 1 . GLU 227 227 27292 1 . HIS 228 228 27292 1 . LYS 229 229 27292 1 . ALA 230 230 27292 1 . LEU 231 231 27292 1 . LYS 232 232 27292 1 . THR 233 233 27292 1 . LEU 234 234 27292 1 . GLY 235 235 27292 1 . ILE 236 236 27292 1 . ILE 237 237 27292 1 . MET 238 238 27292 1 . GLY 239 239 27292 1 . VAL 240 240 27292 1 . PHE 241 241 27292 1 . THR 242 242 27292 1 . LEU 243 243 27292 1 . CYS 244 244 27292 1 . TRP 245 245 27292 1 . LEU 246 246 27292 1 . PRO 247 247 27292 1 . PHE 248 248 27292 1 . PHE 249 249 27292 1 . LEU 250 250 27292 1 . VAL 251 251 27292 1 . ASN 252 252 27292 1 . ILE 253 253 27292 1 . VAL 254 254 27292 1 . ASN 255 255 27292 1 . VAL 256 256 27292 1 . PHE 257 257 27292 1 . ASN 258 258 27292 1 . ARG 259 259 27292 1 . ASP 260 260 27292 1 . LEU 261 261 27292 1 . VAL 262 262 27292 1 . PRO 263 263 27292 1 . ASP 264 264 27292 1 . TRP 265 265 27292 1 . LEU 266 266 27292 1 . PHE 267 267 27292 1 . VAL 268 268 27292 1 . ALA 269 269 27292 1 . PHE 270 270 27292 1 . ASN 271 271 27292 1 . TRP 272 272 27292 1 . LEU 273 273 27292 1 . GLY 274 274 27292 1 . TYR 275 275 27292 1 . ALA 276 276 27292 1 . ASN 277 277 27292 1 . SER 278 278 27292 1 . ALA 279 279 27292 1 . ALA 280 280 27292 1 . ASN 281 281 27292 1 . PRO 282 282 27292 1 . ILE 283 283 27292 1 . ILE 284 284 27292 1 . TYR 285 285 27292 1 . CYS 286 286 27292 1 . ARG 287 287 27292 1 . SER 288 288 27292 1 . PRO 289 289 27292 1 . ASP 290 290 27292 1 . PHE 291 291 27292 1 . ARG 292 292 27292 1 . LYS 293 293 27292 1 . ALA 294 294 27292 1 . PHE 295 295 27292 1 . LYS 296 296 27292 1 . ARG 297 297 27292 1 . LEU 298 298 27292 1 . LEU 299 299 27292 1 . ALA 300 300 27292 1 . PHE 301 301 27292 1 . PRO 302 302 27292 1 . ARG 303 303 27292 1 . LYS 304 304 27292 1 . ALA 305 305 27292 1 . ASP 306 306 27292 1 . ARG 307 307 27292 1 . ARG 308 308 27292 1 . LEU 309 309 27292 1 . HIS 310 310 27292 1 . HIS 311 311 27292 1 . HIS 312 312 27292 1 . HIS 313 313 27292 1 . HIS 314 314 27292 1 . HIS 315 315 27292 1 . HIS 316 316 27292 1 . HIS 317 317 27292 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27292 _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 $Turkey_B1AR . 9103 organism . 'Meleagris gallopavo' Turkey . . Eukaryota Metazoa Meleagris gallopavo . . . . . . . . . . . . . 27292 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27292 _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 $Turkey_B1AR . 'recombinant technology' 'Spodoptera frugiperda' . . . Spodoptera frugiperda . . . . . . pBacPAK8 . . . 27292 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_D5-Apo _Sample.Sf_category sample _Sample.Sf_framecode D5-Apo _Sample.Entry_ID 27292 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 'Turkey B1AR' 13Ce-Met . . 1 $Turkey_B1AR . . 90 80 100 uM . . . . 27292 1 2 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 27292 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 27292 _Sample_condition_list.ID 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' 150 . mM 27292 1 pH 7.4 . pH 27292 1 pressure 1 . atm 27292 1 temperature 308 . K 27292 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 27292 _Software.ID 1 _Software.Type . _Software.Name CCPN_Analysis _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27292 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27292 1 'data analysis' 27292 1 'peak picking' 27292 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27292 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27292 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 27292 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27292 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-13C SOFAST-HMQC' no . . . . . . . . . . 1 $D5-Apo isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27292 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27292 _Chem_shift_reference.ID 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 . . . . . 27292 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27292 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 27292 _Assigned_chem_shift_list.ID 1 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.025 _Assigned_chem_shift_list.Chem_shift_13C_err 0.025 _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 SOFAST-HMQC' . . . 27292 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 $CCPN_Analysis . . 27292 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HE1 H 1 2.032 0.025 . 1 . . . . . 1 MET ME . 27292 1 2 . 1 1 1 1 MET HE2 H 1 2.032 0.025 . 1 . . . . . 1 MET ME . 27292 1 3 . 1 1 1 1 MET HE3 H 1 2.032 0.025 . 1 . . . . . 1 MET ME . 27292 1 4 . 1 1 1 1 MET CE C 13 17.338 0.025 . 1 . . . . . 1 MET CE . 27292 1 5 . 1 1 60 60 MET HE1 H 1 2.173 0.025 . 1 . . . . . 90 MET ME . 27292 1 6 . 1 1 60 60 MET HE2 H 1 2.173 0.025 . 1 . . . . . 90 MET ME . 27292 1 7 . 1 1 60 60 MET HE3 H 1 2.173 0.025 . 1 . . . . . 90 MET ME . 27292 1 8 . 1 1 60 60 MET CE C 13 18.738 0.025 . 1 . . . . . 90 MET CE . 27292 1 9 . 1 1 123 123 MET HE1 H 1 2.142 0.025 . 1 . . . . . 153 MET ME . 27292 1 10 . 1 1 123 123 MET HE2 H 1 2.142 0.025 . 1 . . . . . 153 MET ME . 27292 1 11 . 1 1 123 123 MET HE3 H 1 2.142 0.025 . 1 . . . . . 153 MET ME . 27292 1 12 . 1 1 123 123 MET CE C 13 16.141 0.025 . 1 . . . . . 153 MET CE . 27292 1 13 . 1 1 148 148 MET HE1 H 1 2.029 0.025 . 1 . . . . . 178 MET ME . 27292 1 14 . 1 1 148 148 MET HE2 H 1 2.029 0.025 . 1 . . . . . 178 MET ME . 27292 1 15 . 1 1 148 148 MET HE3 H 1 2.029 0.025 . 1 . . . . . 178 MET ME . 27292 1 16 . 1 1 148 148 MET CE C 13 17.649 0.025 . 1 . . . . . 178 MET CE . 27292 1 17 . 1 1 193 193 MET HE1 H 1 1.789 0.025 . 1 . . . . . 223 MET ME . 27292 1 18 . 1 1 193 193 MET HE2 H 1 1.789 0.025 . 1 . . . . . 223 MET ME . 27292 1 19 . 1 1 193 193 MET HE3 H 1 1.789 0.025 . 1 . . . . . 223 MET ME . 27292 1 20 . 1 1 193 193 MET CE C 13 17.723 0.025 . 1 . . . . . 223 MET CE . 27292 1 21 . 1 1 225 225 MET HE1 H 1 2.030 0.025 . 1 . . . . . 283 MET ME . 27292 1 22 . 1 1 225 225 MET HE2 H 1 2.030 0.025 . 1 . . . . . 283 MET ME . 27292 1 23 . 1 1 225 225 MET HE3 H 1 2.030 0.025 . 1 . . . . . 283 MET ME . 27292 1 24 . 1 1 225 225 MET CE C 13 17.068 0.025 . 1 . . . . . 283 MET CE . 27292 1 25 . 1 1 238 238 MET HE1 H 1 1.737 0.025 . 1 . . . . . 296 MET ME . 27292 1 26 . 1 1 238 238 MET HE2 H 1 1.737 0.025 . 1 . . . . . 296 MET ME . 27292 1 27 . 1 1 238 238 MET HE3 H 1 1.737 0.025 . 1 . . . . . 296 MET ME . 27292 1 28 . 1 1 238 238 MET CE C 13 18.76 0.025 . 1 . . . . . 296 MET CE . 27292 1 stop_ save_ save_assigned_chemical_shifts_conformation_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_conformation_2 _Assigned_chem_shift_list.Entry_ID 27292 _Assigned_chem_shift_list.ID 2 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.025 _Assigned_chem_shift_list.Chem_shift_13C_err 0.025 _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 SOFAST-HMQC' . . . 27292 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 $CCPN_Analysis . . 27292 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 1 1 1 MET HE1 H 1 2.032 0.025 . 1 . . . . . 1 MET ME . 27292 2 2 . 2 1 1 1 MET HE2 H 1 2.032 0.025 . 1 . . . . . 1 MET ME . 27292 2 3 . 2 1 1 1 MET HE3 H 1 2.032 0.025 . 1 . . . . . 1 MET ME . 27292 2 4 . 2 1 1 1 MET CE C 13 17.338 0.025 . 1 . . . . . 1 MET CE . 27292 2 5 . 2 1 60 60 MET HE1 H 1 2.032 0.025 . 1 . . . . . 90 MET ME . 27292 2 6 . 2 1 60 60 MET HE2 H 1 2.032 0.025 . 1 . . . . . 90 MET ME . 27292 2 7 . 2 1 60 60 MET HE3 H 1 2.032 0.025 . 1 . . . . . 90 MET ME . 27292 2 8 . 2 1 60 60 MET CE C 13 18.214 0.025 . 1 . . . . . 90 MET CE . 27292 2 9 . 2 1 123 123 MET HE1 H 1 2.142 0.025 . 1 . . . . . 153 MET ME . 27292 2 10 . 2 1 123 123 MET HE2 H 1 2.142 0.025 . 1 . . . . . 153 MET ME . 27292 2 11 . 2 1 123 123 MET HE3 H 1 2.142 0.025 . 1 . . . . . 153 MET ME . 27292 2 12 . 2 1 123 123 MET CE C 13 16.141 0.025 . 1 . . . . . 153 MET CE . 27292 2 13 . 2 1 148 148 MET HE1 H 1 1.918 0.025 . 1 . . . . . 178 MET ME . 27292 2 14 . 2 1 148 148 MET HE2 H 1 1.918 0.025 . 1 . . . . . 178 MET ME . 27292 2 15 . 2 1 148 148 MET HE3 H 1 1.918 0.025 . 1 . . . . . 178 MET ME . 27292 2 16 . 2 1 148 148 MET CE C 13 17.582 0.025 . 1 . . . . . 178 MET CE . 27292 2 17 . 2 1 193 193 MET HE1 H 1 1.789 0.025 . 1 . . . . . 223 MET ME . 27292 2 18 . 2 1 193 193 MET HE2 H 1 1.789 0.025 . 1 . . . . . 223 MET ME . 27292 2 19 . 2 1 193 193 MET HE3 H 1 1.789 0.025 . 1 . . . . . 223 MET ME . 27292 2 20 . 2 1 193 193 MET CE C 13 17.723 0.025 . 1 . . . . . 223 MET CE . 27292 2 21 . 2 1 225 225 MET HE1 H 1 2.030 0.025 . 1 . . . . . 283 MET ME . 27292 2 22 . 2 1 225 225 MET HE2 H 1 2.030 0.025 . 1 . . . . . 283 MET ME . 27292 2 23 . 2 1 225 225 MET HE3 H 1 2.030 0.025 . 1 . . . . . 283 MET ME . 27292 2 24 . 2 1 225 225 MET CE C 13 17.068 0.025 . 1 . . . . . 283 MET CE . 27292 2 25 . 2 1 238 238 MET HE1 H 1 1.737 0.025 . 1 . . . . . 296 MET ME . 27292 2 26 . 2 1 238 238 MET HE2 H 1 1.737 0.025 . 1 . . . . . 296 MET ME . 27292 2 27 . 2 1 238 238 MET HE3 H 1 1.737 0.025 . 1 . . . . . 296 MET ME . 27292 2 28 . 2 1 238 238 MET CE C 13 18.760 0.025 . 1 . . . . . 296 MET CE . 27292 2 stop_ save_