data_191 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 191 _Entry.Title ; One- and two-dimensional NMR studies of yeast phosphoglycerate kinase ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-03-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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.Entry_ID 1 Wayne Fairbrother . J. . 191 2 Derrick Bowen . . . 191 3 Len Hall . . . 191 4 Robert Williams . J.P. . 191 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 191 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 2 191 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 4 . . 2010-06-10 . revision BMRB 'Complete natural source information' 191 3 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 191 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 191 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 191 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 191 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Fairbrother, Wayne J., Bowen, Derrick, Hall, Len, Williams, Robert J. P., "One- and two-dimensional NMR studies of yeast phosphoglycerate kinase," Eur. J. Biochem. 184, 617-625 (1989). ; _Citation.Title 'One- and two-dimensional NMR studies of yeast phosphoglycerate kinase' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Eur. J. Biochem.' _Citation.Journal_name_full . _Citation.Journal_volume 184 _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 617 _Citation.Page_last 625 _Citation.Year 1989 _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.Entry_ID _Citation_author.Citation_ID 1 Wayne Fairbrother . J. . 191 1 2 Derrick Bowen . . . 191 1 3 Len Hall . . . 191 1 4 Robert Williams . J.P. . 191 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_phosphoglycerate_kinase _Assembly.Sf_category assembly _Assembly.Sf_framecode system_phosphoglycerate_kinase _Assembly.Entry_ID 191 _Assembly.ID 1 _Assembly.Name 'phosphoglycerate kinase' _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 . _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 'phosphoglycerate kinase' 1 $phosphoglycerate_kinase . . . . . . . . . 191 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'phosphoglycerate kinase' system 191 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_phosphoglycerate_kinase _Entity.Sf_category entity _Entity.Sf_framecode phosphoglycerate_kinase _Entity.Entry_ID 191 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'phosphoglycerate kinase' _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 ; SLSSKLSVQDSDLKDKRVFI RVDFNVPLDGKKITSQQRIV AALPTIKYVLEHHPRYVVLL SHLGRPNGERNEKYSLAPVA KELQSLLGKDVTFLNDCVSP EVEAAVKASAPGSVILLENL RYHIEEEGSRKVDGQKVKAS KEDVQKFRHELSSLADVYIN DAFGTAHRAHSSXVGFDLPQ RAAGFLLEKELKYFGKALEN PTRPFLAILGGAKVADKIQL IDNLLDKVDSIIIGGGMAFT FKKVLENTEIGDSIFDKAGA EIVPKLMEKAKAKGVEVVLP VDFIIADAFSADANTKTVTD KEGIPAGWQGLDNGPESRKL FAATVAKAKTIVWNGPPGVT EFEKFAAGTKALLDEVVKSS AAGNTVIIGGGDTATVAKKY GVTDKISHVSTGGGASLELL EGKELPGVAFLSEKK ; _Entity.Polymer_seq_one_letter_code ; SLSSKLSVQDSDLKDKRVFI RVDFNVPLDGKKITSQQRIV AALPTIKYVLEHHPRYVVLL SHLGRPNGERNEKYSLAPVA KELQSLLGKDVTFLNDCVSP EVEAAVKASAPGSVILLENL RYHIEEEGSRKVDGQKVKAS KEDVQKFRHELSSLADVYIN DAFGTAHRAHSSXVGFDLPQ RAAGFLLEKELKYFGKALEN PTRPFLAILGGAKVADKIQL IDNLLDKVDSIIIGGGMAFT FKKVLENTEIGDSIFDKAGA EIVPKLMEKAKAKGVEVVLP VDFIIADAFSADANTKTVTD KEGIPAGWQGLDNGPESRKL FAATVAKAKTIVWNGPPGVT EFEKFAAGTKALLDEVVKSS AAGNTVIIGGGDTATVAKKY GVTDKISHVSTGGGASLELL EGKELPGVAFLSEKK ; _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 . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 415 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 2.7.2.3 _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 1174 . "phosphoglycerate kinase" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 191 1 2 no BMRB 1843 . "phosphoglycerate kinase" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 191 1 3 no PDB 1QPG . "3-Phosphoglycerate Kinase, Mutation R65q" . . . . . 100.00 415 98.31 98.55 0.00e+00 . . . . 191 1 4 no DBJ GAA21922 . "K7_Pgk1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 416 98.55 98.55 0.00e+00 . . . . 191 1 5 no EMBL CAA42329 . "phosphoglycerate kinase [Saccharomyces cerevisiae]" . . . . . 100.00 416 98.55 98.55 0.00e+00 . . . . 191 1 6 no EMBL CAY78215 . "Pgk1p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 416 98.55 98.55 0.00e+00 . . . . 191 1 7 no GB AAA88729 . "3-phosphoglycerate kinase [Saccharomyces cerevisiae]" . . . . . 100.00 416 98.55 98.55 0.00e+00 . . . . 191 1 8 no GB AGZ13684 . "phosphoglycerate kinase [Saccharomyces sp. 'boulardii']" . . . . . 100.00 416 98.55 98.55 0.00e+00 . . . . 191 1 9 no GB AHN96068 . "PGK1 [synthetic construct]" . . . . . 100.00 416 98.55 98.55 0.00e+00 . . . . 191 1 10 no GB AHV79271 . "PGK1 [synthetic construct]" . . . . . 100.00 416 98.55 98.55 0.00e+00 . . . . 191 1 11 no GB AHY79691 . "Pgk1p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 416 98.55 98.55 0.00e+00 . . . . 191 1 12 no REF NP_009938 . "phosphoglycerate kinase [Saccharomyces cerevisiae S288c]" . . . . . 100.00 416 98.55 98.55 0.00e+00 . . . . 191 1 13 no SP P00560 . "RecName: Full=Phosphoglycerate kinase" . . . . . 100.00 416 98.55 98.55 0.00e+00 . . . . 191 1 14 no TPG DAA07490 . "TPA: phosphoglycerate kinase [Saccharomyces cerevisiae S288c]" . . . . . 100.00 416 98.55 98.55 0.00e+00 . . . . 191 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'phosphoglycerate kinase' common 191 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 . SER . 191 1 2 . LEU . 191 1 3 . SER . 191 1 4 . SER . 191 1 5 . LYS . 191 1 6 . LEU . 191 1 7 . SER . 191 1 8 . VAL . 191 1 9 . GLN . 191 1 10 . ASP . 191 1 11 . SER . 191 1 12 . ASP . 191 1 13 . LEU . 191 1 14 . LYS . 191 1 15 . ASP . 191 1 16 . LYS . 191 1 17 . ARG . 191 1 18 . VAL . 191 1 19 . PHE . 191 1 20 . ILE . 191 1 21 . ARG . 191 1 22 . VAL . 191 1 23 . ASP . 191 1 24 . PHE . 191 1 25 . ASN . 191 1 26 . VAL . 191 1 27 . PRO . 191 1 28 . LEU . 191 1 29 . ASP . 191 1 30 . GLY . 191 1 31 . LYS . 191 1 32 . LYS . 191 1 33 . ILE . 191 1 34 . THR . 191 1 35 . SER . 191 1 36 . GLN . 191 1 37 . GLN . 191 1 38 . ARG . 191 1 39 . ILE . 191 1 40 . VAL . 191 1 41 . ALA . 191 1 42 . ALA . 191 1 43 . LEU . 191 1 44 . PRO . 191 1 45 . THR . 191 1 46 . ILE . 191 1 47 . LYS . 191 1 48 . TYR . 191 1 49 . VAL . 191 1 50 . LEU . 191 1 51 . GLU . 191 1 52 . HIS . 191 1 53 . HIS . 191 1 54 . PRO . 191 1 55 . ARG . 191 1 56 . TYR . 191 1 57 . VAL . 191 1 58 . VAL . 191 1 59 . LEU . 191 1 60 . LEU . 191 1 61 . SER . 191 1 62 . HIS . 191 1 63 . LEU . 191 1 64 . GLY . 191 1 65 . ARG . 191 1 66 . PRO . 191 1 67 . ASN . 191 1 68 . GLY . 191 1 69 . GLU . 191 1 70 . ARG . 191 1 71 . ASN . 191 1 72 . GLU . 191 1 73 . LYS . 191 1 74 . TYR . 191 1 75 . SER . 191 1 76 . LEU . 191 1 77 . ALA . 191 1 78 . PRO . 191 1 79 . VAL . 191 1 80 . ALA . 191 1 81 . LYS . 191 1 82 . GLU . 191 1 83 . LEU . 191 1 84 . GLN . 191 1 85 . SER . 191 1 86 . LEU . 191 1 87 . LEU . 191 1 88 . GLY . 191 1 89 . LYS . 191 1 90 . ASP . 191 1 91 . VAL . 191 1 92 . THR . 191 1 93 . PHE . 191 1 94 . LEU . 191 1 95 . ASN . 191 1 96 . ASP . 191 1 97 . CYS . 191 1 98 . VAL . 191 1 99 . SER . 191 1 100 . PRO . 191 1 101 . GLU . 191 1 102 . VAL . 191 1 103 . GLU . 191 1 104 . ALA . 191 1 105 . ALA . 191 1 106 . VAL . 191 1 107 . LYS . 191 1 108 . ALA . 191 1 109 . SER . 191 1 110 . ALA . 191 1 111 . PRO . 191 1 112 . GLY . 191 1 113 . SER . 191 1 114 . VAL . 191 1 115 . ILE . 191 1 116 . LEU . 191 1 117 . LEU . 191 1 118 . GLU . 191 1 119 . ASN . 191 1 120 . LEU . 191 1 121 . ARG . 191 1 122 . TYR . 191 1 123 . HIS . 191 1 124 . ILE . 191 1 125 . GLU . 191 1 126 . GLU . 191 1 127 . GLU . 191 1 128 . GLY . 191 1 129 . SER . 191 1 130 . ARG . 191 1 131 . LYS . 191 1 132 . VAL . 191 1 133 . ASP . 191 1 134 . GLY . 191 1 135 . GLN . 191 1 136 . LYS . 191 1 137 . VAL . 191 1 138 . LYS . 191 1 139 . ALA . 191 1 140 . SER . 191 1 141 . LYS . 191 1 142 . GLU . 191 1 143 . ASP . 191 1 144 . VAL . 191 1 145 . GLN . 191 1 146 . LYS . 191 1 147 . PHE . 191 1 148 . ARG . 191 1 149 . HIS . 191 1 150 . GLU . 191 1 151 . LEU . 191 1 152 . SER . 191 1 153 . SER . 191 1 154 . LEU . 191 1 155 . ALA . 191 1 156 . ASP . 191 1 157 . VAL . 191 1 158 . TYR . 191 1 159 . ILE . 191 1 160 . ASN . 191 1 161 . ASP . 191 1 162 . ALA . 191 1 163 . PHE . 191 1 164 . GLY . 191 1 165 . THR . 191 1 166 . ALA . 191 1 167 . HIS . 191 1 168 . ARG . 191 1 169 . ALA . 191 1 170 . HIS . 191 1 171 . SER . 191 1 172 . SER . 191 1 173 . X . 191 1 174 . VAL . 191 1 175 . GLY . 191 1 176 . PHE . 191 1 177 . ASP . 191 1 178 . LEU . 191 1 179 . PRO . 191 1 180 . GLN . 191 1 181 . ARG . 191 1 182 . ALA . 191 1 183 . ALA . 191 1 184 . GLY . 191 1 185 . PHE . 191 1 186 . LEU . 191 1 187 . LEU . 191 1 188 . GLU . 191 1 189 . LYS . 191 1 190 . GLU . 191 1 191 . LEU . 191 1 192 . LYS . 191 1 193 . TYR . 191 1 194 . PHE . 191 1 195 . GLY . 191 1 196 . LYS . 191 1 197 . ALA . 191 1 198 . LEU . 191 1 199 . GLU . 191 1 200 . ASN . 191 1 201 . PRO . 191 1 202 . THR . 191 1 203 . ARG . 191 1 204 . PRO . 191 1 205 . PHE . 191 1 206 . LEU . 191 1 207 . ALA . 191 1 208 . ILE . 191 1 209 . LEU . 191 1 210 . GLY . 191 1 211 . GLY . 191 1 212 . ALA . 191 1 213 . LYS . 191 1 214 . VAL . 191 1 215 . ALA . 191 1 216 . ASP . 191 1 217 . LYS . 191 1 218 . ILE . 191 1 219 . GLN . 191 1 220 . LEU . 191 1 221 . ILE . 191 1 222 . ASP . 191 1 223 . ASN . 191 1 224 . LEU . 191 1 225 . LEU . 191 1 226 . ASP . 191 1 227 . LYS . 191 1 228 . VAL . 191 1 229 . ASP . 191 1 230 . SER . 191 1 231 . ILE . 191 1 232 . ILE . 191 1 233 . ILE . 191 1 234 . GLY . 191 1 235 . GLY . 191 1 236 . GLY . 191 1 237 . MET . 191 1 238 . ALA . 191 1 239 . PHE . 191 1 240 . THR . 191 1 241 . PHE . 191 1 242 . LYS . 191 1 243 . LYS . 191 1 244 . VAL . 191 1 245 . LEU . 191 1 246 . GLU . 191 1 247 . ASN . 191 1 248 . THR . 191 1 249 . GLU . 191 1 250 . ILE . 191 1 251 . GLY . 191 1 252 . ASP . 191 1 253 . SER . 191 1 254 . ILE . 191 1 255 . PHE . 191 1 256 . ASP . 191 1 257 . LYS . 191 1 258 . ALA . 191 1 259 . GLY . 191 1 260 . ALA . 191 1 261 . GLU . 191 1 262 . ILE . 191 1 263 . VAL . 191 1 264 . PRO . 191 1 265 . LYS . 191 1 266 . LEU . 191 1 267 . MET . 191 1 268 . GLU . 191 1 269 . LYS . 191 1 270 . ALA . 191 1 271 . LYS . 191 1 272 . ALA . 191 1 273 . LYS . 191 1 274 . GLY . 191 1 275 . VAL . 191 1 276 . GLU . 191 1 277 . VAL . 191 1 278 . VAL . 191 1 279 . LEU . 191 1 280 . PRO . 191 1 281 . VAL . 191 1 282 . ASP . 191 1 283 . PHE . 191 1 284 . ILE . 191 1 285 . ILE . 191 1 286 . ALA . 191 1 287 . ASP . 191 1 288 . ALA . 191 1 289 . PHE . 191 1 290 . SER . 191 1 291 . ALA . 191 1 292 . ASP . 191 1 293 . ALA . 191 1 294 . ASN . 191 1 295 . THR . 191 1 296 . LYS . 191 1 297 . THR . 191 1 298 . VAL . 191 1 299 . THR . 191 1 300 . ASP . 191 1 301 . LYS . 191 1 302 . GLU . 191 1 303 . GLY . 191 1 304 . ILE . 191 1 305 . PRO . 191 1 306 . ALA . 191 1 307 . GLY . 191 1 308 . TRP . 191 1 309 . GLN . 191 1 310 . GLY . 191 1 311 . LEU . 191 1 312 . ASP . 191 1 313 . ASN . 191 1 314 . GLY . 191 1 315 . PRO . 191 1 316 . GLU . 191 1 317 . SER . 191 1 318 . ARG . 191 1 319 . LYS . 191 1 320 . LEU . 191 1 321 . PHE . 191 1 322 . ALA . 191 1 323 . ALA . 191 1 324 . THR . 191 1 325 . VAL . 191 1 326 . ALA . 191 1 327 . LYS . 191 1 328 . ALA . 191 1 329 . LYS . 191 1 330 . THR . 191 1 331 . ILE . 191 1 332 . VAL . 191 1 333 . TRP . 191 1 334 . ASN . 191 1 335 . GLY . 191 1 336 . PRO . 191 1 337 . PRO . 191 1 338 . GLY . 191 1 339 . VAL . 191 1 340 . THR . 191 1 341 . GLU . 191 1 342 . PHE . 191 1 343 . GLU . 191 1 344 . LYS . 191 1 345 . PHE . 191 1 346 . ALA . 191 1 347 . ALA . 191 1 348 . GLY . 191 1 349 . THR . 191 1 350 . LYS . 191 1 351 . ALA . 191 1 352 . LEU . 191 1 353 . LEU . 191 1 354 . ASP . 191 1 355 . GLU . 191 1 356 . VAL . 191 1 357 . VAL . 191 1 358 . LYS . 191 1 359 . SER . 191 1 360 . SER . 191 1 361 . ALA . 191 1 362 . ALA . 191 1 363 . GLY . 191 1 364 . ASN . 191 1 365 . THR . 191 1 366 . VAL . 191 1 367 . ILE . 191 1 368 . ILE . 191 1 369 . GLY . 191 1 370 . GLY . 191 1 371 . GLY . 191 1 372 . ASP . 191 1 373 . THR . 191 1 374 . ALA . 191 1 375 . THR . 191 1 376 . VAL . 191 1 377 . ALA . 191 1 378 . LYS . 191 1 379 . LYS . 191 1 380 . TYR . 191 1 381 . GLY . 191 1 382 . VAL . 191 1 383 . THR . 191 1 384 . ASP . 191 1 385 . LYS . 191 1 386 . ILE . 191 1 387 . SER . 191 1 388 . HIS . 191 1 389 . VAL . 191 1 390 . SER . 191 1 391 . THR . 191 1 392 . GLY . 191 1 393 . GLY . 191 1 394 . GLY . 191 1 395 . ALA . 191 1 396 . SER . 191 1 397 . LEU . 191 1 398 . GLU . 191 1 399 . LEU . 191 1 400 . LEU . 191 1 401 . GLU . 191 1 402 . GLY . 191 1 403 . LYS . 191 1 404 . GLU . 191 1 405 . LEU . 191 1 406 . PRO . 191 1 407 . GLY . 191 1 408 . VAL . 191 1 409 . ALA . 191 1 410 . PHE . 191 1 411 . LEU . 191 1 412 . SER . 191 1 413 . GLU . 191 1 414 . LYS . 191 1 415 . LYS . 191 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 . SER 1 1 191 1 . LEU 2 2 191 1 . SER 3 3 191 1 . SER 4 4 191 1 . LYS 5 5 191 1 . LEU 6 6 191 1 . SER 7 7 191 1 . VAL 8 8 191 1 . GLN 9 9 191 1 . ASP 10 10 191 1 . SER 11 11 191 1 . ASP 12 12 191 1 . LEU 13 13 191 1 . LYS 14 14 191 1 . ASP 15 15 191 1 . LYS 16 16 191 1 . ARG 17 17 191 1 . VAL 18 18 191 1 . PHE 19 19 191 1 . ILE 20 20 191 1 . ARG 21 21 191 1 . VAL 22 22 191 1 . ASP 23 23 191 1 . PHE 24 24 191 1 . ASN 25 25 191 1 . VAL 26 26 191 1 . PRO 27 27 191 1 . LEU 28 28 191 1 . ASP 29 29 191 1 . GLY 30 30 191 1 . LYS 31 31 191 1 . LYS 32 32 191 1 . ILE 33 33 191 1 . THR 34 34 191 1 . SER 35 35 191 1 . GLN 36 36 191 1 . GLN 37 37 191 1 . ARG 38 38 191 1 . ILE 39 39 191 1 . VAL 40 40 191 1 . ALA 41 41 191 1 . ALA 42 42 191 1 . LEU 43 43 191 1 . PRO 44 44 191 1 . THR 45 45 191 1 . ILE 46 46 191 1 . LYS 47 47 191 1 . TYR 48 48 191 1 . VAL 49 49 191 1 . LEU 50 50 191 1 . GLU 51 51 191 1 . HIS 52 52 191 1 . HIS 53 53 191 1 . PRO 54 54 191 1 . ARG 55 55 191 1 . TYR 56 56 191 1 . VAL 57 57 191 1 . VAL 58 58 191 1 . LEU 59 59 191 1 . LEU 60 60 191 1 . SER 61 61 191 1 . HIS 62 62 191 1 . LEU 63 63 191 1 . GLY 64 64 191 1 . ARG 65 65 191 1 . PRO 66 66 191 1 . ASN 67 67 191 1 . GLY 68 68 191 1 . GLU 69 69 191 1 . ARG 70 70 191 1 . ASN 71 71 191 1 . GLU 72 72 191 1 . LYS 73 73 191 1 . TYR 74 74 191 1 . SER 75 75 191 1 . LEU 76 76 191 1 . ALA 77 77 191 1 . PRO 78 78 191 1 . VAL 79 79 191 1 . ALA 80 80 191 1 . LYS 81 81 191 1 . GLU 82 82 191 1 . LEU 83 83 191 1 . GLN 84 84 191 1 . SER 85 85 191 1 . LEU 86 86 191 1 . LEU 87 87 191 1 . GLY 88 88 191 1 . LYS 89 89 191 1 . ASP 90 90 191 1 . VAL 91 91 191 1 . THR 92 92 191 1 . PHE 93 93 191 1 . LEU 94 94 191 1 . ASN 95 95 191 1 . ASP 96 96 191 1 . CYS 97 97 191 1 . VAL 98 98 191 1 . SER 99 99 191 1 . PRO 100 100 191 1 . GLU 101 101 191 1 . VAL 102 102 191 1 . GLU 103 103 191 1 . ALA 104 104 191 1 . ALA 105 105 191 1 . VAL 106 106 191 1 . LYS 107 107 191 1 . ALA 108 108 191 1 . SER 109 109 191 1 . ALA 110 110 191 1 . PRO 111 111 191 1 . GLY 112 112 191 1 . SER 113 113 191 1 . VAL 114 114 191 1 . ILE 115 115 191 1 . LEU 116 116 191 1 . LEU 117 117 191 1 . GLU 118 118 191 1 . ASN 119 119 191 1 . LEU 120 120 191 1 . ARG 121 121 191 1 . TYR 122 122 191 1 . HIS 123 123 191 1 . ILE 124 124 191 1 . GLU 125 125 191 1 . GLU 126 126 191 1 . GLU 127 127 191 1 . GLY 128 128 191 1 . SER 129 129 191 1 . ARG 130 130 191 1 . LYS 131 131 191 1 . VAL 132 132 191 1 . ASP 133 133 191 1 . GLY 134 134 191 1 . GLN 135 135 191 1 . LYS 136 136 191 1 . VAL 137 137 191 1 . LYS 138 138 191 1 . ALA 139 139 191 1 . SER 140 140 191 1 . LYS 141 141 191 1 . GLU 142 142 191 1 . ASP 143 143 191 1 . VAL 144 144 191 1 . GLN 145 145 191 1 . LYS 146 146 191 1 . PHE 147 147 191 1 . ARG 148 148 191 1 . HIS 149 149 191 1 . GLU 150 150 191 1 . LEU 151 151 191 1 . SER 152 152 191 1 . SER 153 153 191 1 . LEU 154 154 191 1 . ALA 155 155 191 1 . ASP 156 156 191 1 . VAL 157 157 191 1 . TYR 158 158 191 1 . ILE 159 159 191 1 . ASN 160 160 191 1 . ASP 161 161 191 1 . ALA 162 162 191 1 . PHE 163 163 191 1 . GLY 164 164 191 1 . THR 165 165 191 1 . ALA 166 166 191 1 . HIS 167 167 191 1 . ARG 168 168 191 1 . ALA 169 169 191 1 . HIS 170 170 191 1 . SER 171 171 191 1 . SER 172 172 191 1 . X 173 173 191 1 . VAL 174 174 191 1 . GLY 175 175 191 1 . PHE 176 176 191 1 . ASP 177 177 191 1 . LEU 178 178 191 1 . PRO 179 179 191 1 . GLN 180 180 191 1 . ARG 181 181 191 1 . ALA 182 182 191 1 . ALA 183 183 191 1 . GLY 184 184 191 1 . PHE 185 185 191 1 . LEU 186 186 191 1 . LEU 187 187 191 1 . GLU 188 188 191 1 . LYS 189 189 191 1 . GLU 190 190 191 1 . LEU 191 191 191 1 . LYS 192 192 191 1 . TYR 193 193 191 1 . PHE 194 194 191 1 . GLY 195 195 191 1 . LYS 196 196 191 1 . ALA 197 197 191 1 . LEU 198 198 191 1 . GLU 199 199 191 1 . ASN 200 200 191 1 . PRO 201 201 191 1 . THR 202 202 191 1 . ARG 203 203 191 1 . PRO 204 204 191 1 . PHE 205 205 191 1 . LEU 206 206 191 1 . ALA 207 207 191 1 . ILE 208 208 191 1 . LEU 209 209 191 1 . GLY 210 210 191 1 . GLY 211 211 191 1 . ALA 212 212 191 1 . LYS 213 213 191 1 . VAL 214 214 191 1 . ALA 215 215 191 1 . ASP 216 216 191 1 . LYS 217 217 191 1 . ILE 218 218 191 1 . GLN 219 219 191 1 . LEU 220 220 191 1 . ILE 221 221 191 1 . ASP 222 222 191 1 . ASN 223 223 191 1 . LEU 224 224 191 1 . LEU 225 225 191 1 . ASP 226 226 191 1 . LYS 227 227 191 1 . VAL 228 228 191 1 . ASP 229 229 191 1 . SER 230 230 191 1 . ILE 231 231 191 1 . ILE 232 232 191 1 . ILE 233 233 191 1 . GLY 234 234 191 1 . GLY 235 235 191 1 . GLY 236 236 191 1 . MET 237 237 191 1 . ALA 238 238 191 1 . PHE 239 239 191 1 . THR 240 240 191 1 . PHE 241 241 191 1 . LYS 242 242 191 1 . LYS 243 243 191 1 . VAL 244 244 191 1 . LEU 245 245 191 1 . GLU 246 246 191 1 . ASN 247 247 191 1 . THR 248 248 191 1 . GLU 249 249 191 1 . ILE 250 250 191 1 . GLY 251 251 191 1 . ASP 252 252 191 1 . SER 253 253 191 1 . ILE 254 254 191 1 . PHE 255 255 191 1 . ASP 256 256 191 1 . LYS 257 257 191 1 . ALA 258 258 191 1 . GLY 259 259 191 1 . ALA 260 260 191 1 . GLU 261 261 191 1 . ILE 262 262 191 1 . VAL 263 263 191 1 . PRO 264 264 191 1 . LYS 265 265 191 1 . LEU 266 266 191 1 . MET 267 267 191 1 . GLU 268 268 191 1 . LYS 269 269 191 1 . ALA 270 270 191 1 . LYS 271 271 191 1 . ALA 272 272 191 1 . LYS 273 273 191 1 . GLY 274 274 191 1 . VAL 275 275 191 1 . GLU 276 276 191 1 . VAL 277 277 191 1 . VAL 278 278 191 1 . LEU 279 279 191 1 . PRO 280 280 191 1 . VAL 281 281 191 1 . ASP 282 282 191 1 . PHE 283 283 191 1 . ILE 284 284 191 1 . ILE 285 285 191 1 . ALA 286 286 191 1 . ASP 287 287 191 1 . ALA 288 288 191 1 . PHE 289 289 191 1 . SER 290 290 191 1 . ALA 291 291 191 1 . ASP 292 292 191 1 . ALA 293 293 191 1 . ASN 294 294 191 1 . THR 295 295 191 1 . LYS 296 296 191 1 . THR 297 297 191 1 . VAL 298 298 191 1 . THR 299 299 191 1 . ASP 300 300 191 1 . LYS 301 301 191 1 . GLU 302 302 191 1 . GLY 303 303 191 1 . ILE 304 304 191 1 . PRO 305 305 191 1 . ALA 306 306 191 1 . GLY 307 307 191 1 . TRP 308 308 191 1 . GLN 309 309 191 1 . GLY 310 310 191 1 . LEU 311 311 191 1 . ASP 312 312 191 1 . ASN 313 313 191 1 . GLY 314 314 191 1 . PRO 315 315 191 1 . GLU 316 316 191 1 . SER 317 317 191 1 . ARG 318 318 191 1 . LYS 319 319 191 1 . LEU 320 320 191 1 . PHE 321 321 191 1 . ALA 322 322 191 1 . ALA 323 323 191 1 . THR 324 324 191 1 . VAL 325 325 191 1 . ALA 326 326 191 1 . LYS 327 327 191 1 . ALA 328 328 191 1 . LYS 329 329 191 1 . THR 330 330 191 1 . ILE 331 331 191 1 . VAL 332 332 191 1 . TRP 333 333 191 1 . ASN 334 334 191 1 . GLY 335 335 191 1 . PRO 336 336 191 1 . PRO 337 337 191 1 . GLY 338 338 191 1 . VAL 339 339 191 1 . THR 340 340 191 1 . GLU 341 341 191 1 . PHE 342 342 191 1 . GLU 343 343 191 1 . LYS 344 344 191 1 . PHE 345 345 191 1 . ALA 346 346 191 1 . ALA 347 347 191 1 . GLY 348 348 191 1 . THR 349 349 191 1 . LYS 350 350 191 1 . ALA 351 351 191 1 . LEU 352 352 191 1 . LEU 353 353 191 1 . ASP 354 354 191 1 . GLU 355 355 191 1 . VAL 356 356 191 1 . VAL 357 357 191 1 . LYS 358 358 191 1 . SER 359 359 191 1 . SER 360 360 191 1 . ALA 361 361 191 1 . ALA 362 362 191 1 . GLY 363 363 191 1 . ASN 364 364 191 1 . THR 365 365 191 1 . VAL 366 366 191 1 . ILE 367 367 191 1 . ILE 368 368 191 1 . GLY 369 369 191 1 . GLY 370 370 191 1 . GLY 371 371 191 1 . ASP 372 372 191 1 . THR 373 373 191 1 . ALA 374 374 191 1 . THR 375 375 191 1 . VAL 376 376 191 1 . ALA 377 377 191 1 . LYS 378 378 191 1 . LYS 379 379 191 1 . TYR 380 380 191 1 . GLY 381 381 191 1 . VAL 382 382 191 1 . THR 383 383 191 1 . ASP 384 384 191 1 . LYS 385 385 191 1 . ILE 386 386 191 1 . SER 387 387 191 1 . HIS 388 388 191 1 . VAL 389 389 191 1 . SER 390 390 191 1 . THR 391 391 191 1 . GLY 392 392 191 1 . GLY 393 393 191 1 . GLY 394 394 191 1 . ALA 395 395 191 1 . SER 396 396 191 1 . LEU 397 397 191 1 . GLU 398 398 191 1 . LEU 399 399 191 1 . LEU 400 400 191 1 . GLU 401 401 191 1 . GLY 402 402 191 1 . LYS 403 403 191 1 . GLU 404 404 191 1 . LEU 405 405 191 1 . PRO 406 406 191 1 . GLY 407 407 191 1 . VAL 408 408 191 1 . ALA 409 409 191 1 . PHE 410 410 191 1 . LEU 411 411 191 1 . SER 412 412 191 1 . GLU 413 413 191 1 . LYS 414 414 191 1 . LYS 415 415 191 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 191 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $phosphoglycerate_kinase . 4932 organism . 'Saccharomyces cerevisiae' yeast . . Eukaryota Fungi Saccharomyces cerevisiae MD40/4C . . . . . . . . . . . . . . . . . . . . 191 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 191 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $phosphoglycerate_kinase . 'not available' 'Saccharomyces cerevisiae' yeast . . Saccharomyces cerevisiae MD40/4C . . . . . . . . . . . . . . . . . . . . . . 191 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 191 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 191 _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 pH 7.1 . na 191 1 temperature 300 . K 191 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 191 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 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 191 _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 unknown unknown . 0 'spectrometer information not available' . . 191 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 191 _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 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 191 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 191 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'The chemical shift reference is not available at this time.' 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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID . . . . . . . . . . . . . . . . 1 $entry_citation . . 1 $entry_citation 191 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_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 191 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _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 $sample_one . 191 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.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 1 342 342 PHE HE1 H 1 6.59 . . 1 . . . . . . . . 191 1 2 . 1 1 342 342 PHE HE2 H 1 6.59 . . 1 . . . . . . . . 191 1 stop_ save_