data_1843 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 1843 _Entry.Title ; NMR analysis of site-specific mutants of yeast phosphoglycerate kinase An investigation of the triose-binding site ; _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. . 1843 2 Philip Walker . A. . 1843 3 Phillipe Minard . . . 1843 4 Jennifer Littlechild . A. . 1843 5 Herman Watson . C. . 1843 6 Robert Williams . J.P. . 1843 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 1843 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 3 1843 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 . . 2010-06-15 . revision BMRB 'Complete natural source information' 1843 3 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1843 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1843 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 1843 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 1843 _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., Walker, Philip A., Minard, Phillipe, Littlechild, Jennifer A., Watson, Herman C., Williams, Robert J. P., "NMR analysis of site-specific mutants of yeast phosphoglycerate kinase An investigation of the triose-binding site," Eur. J. Biochem. 183, 57-67 (1989). ; _Citation.Title ; NMR analysis of site-specific mutants of yeast phosphoglycerate kinase An investigation of the triose-binding site ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Eur. J. Biochem.' _Citation.Journal_name_full . _Citation.Journal_volume 183 _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 57 _Citation.Page_last 67 _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. . 1843 1 2 Philip Walker . A. . 1843 1 3 Phillipe Minard . . . 1843 1 4 Jennifer Littlechild . A. . 1843 1 5 Herman Watson . C. . 1843 1 6 Robert Williams . J.P. . 1843 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_phosphoglycerate_kinase _Assembly.Sf_category assembly _Assembly.Sf_framecode system_phosphoglycerate_kinase _Assembly.Entry_ID 1843 _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 . . . . . . . . . 1843 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'phosphoglycerate kinase' system 1843 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_phosphoglycerate_kinase _Entity.Sf_category entity _Entity.Sf_framecode phosphoglycerate_kinase _Entity.Entry_ID 1843 _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 DAFGTAHRAHSSVGFDLPQR AAGFLLEKELKYFGKALENP TRPFLAILGGAKVADKIQLI DNLLDKVDSIIIGGGMAFTF KKVLENTEIGDSIFDKAGAE IVPKLMEKAKAKGVEVVLPV DFIIADAFSADANTKTVTDK EGIPAGWQGLDNGPESRKLF AATVAKAKTIVWNGPPGVTE FEKFAAGTKALLDEVVKSSA AGNTVIIGGGDTATVAKKYG VTDKISHVSTGGGASLELLE GKELPGVAFLSEKK ; _Entity.Polymer_seq_one_letter_code ; SLSSKLSVQDSDLKDKRVFI RVDFNVPLDGKKITSQQRIV AALPTIKYVLEHHPRYVVLL SHLGRPNGERNEKYSLAPVA KELQSLLGKDVTFLNDCVSP EVEAAVKASAPGSVILLENL RYHIEEEGSRKVDGQKVKAS KEDVQKFRHELSSLADVYIN DAFGTAHRAHSSVGFDLPQR AAGFLLEKELKYFGKALENP TRPFLAILGGAKVADKIQLI DNLLDKVDSIIIGGGMAFTF KKVLENTEIGDSIFDKAGAE IVPKLMEKAKAKGVEVVLPV DFIIADAFSADANTKTVTDK EGIPAGWQGLDNGPESRKLF AATVAKAKTIVWNGPPGVTE FEKFAAGTKALLDEVVKSSA AGNTVIIGGGDTATVAKKYG VTDKISHVSTGGGASLELLE GKELPGVAFLSEKK ; _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 414 _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" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 1843 1 2 no BMRB 191 . "phosphoglycerate kinase" . . . . . 100.24 415 99.76 99.76 0.00e+00 . . . . 1843 1 3 no PDB 1QPG . "3-Phosphoglycerate Kinase, Mutation R65q" . . . . . 100.24 415 98.31 98.55 0.00e+00 . . . . 1843 1 4 no DBJ GAA21922 . "K7_Pgk1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.24 416 98.55 98.55 0.00e+00 . . . . 1843 1 5 no EMBL CAA42329 . "phosphoglycerate kinase [Saccharomyces cerevisiae]" . . . . . 100.24 416 98.55 98.55 0.00e+00 . . . . 1843 1 6 no EMBL CAY78215 . "Pgk1p [Saccharomyces cerevisiae EC1118]" . . . . . 100.24 416 98.55 98.55 0.00e+00 . . . . 1843 1 7 no GB AAA88729 . "3-phosphoglycerate kinase [Saccharomyces cerevisiae]" . . . . . 100.24 416 98.55 98.55 0.00e+00 . . . . 1843 1 8 no GB AGZ13684 . "phosphoglycerate kinase [Saccharomyces sp. 'boulardii']" . . . . . 100.24 416 98.55 98.55 0.00e+00 . . . . 1843 1 9 no GB AHN96068 . "PGK1 [synthetic construct]" . . . . . 100.24 416 98.55 98.55 0.00e+00 . . . . 1843 1 10 no GB AHV79271 . "PGK1 [synthetic construct]" . . . . . 100.24 416 98.55 98.55 0.00e+00 . . . . 1843 1 11 no GB AHY79691 . "Pgk1p [Saccharomyces cerevisiae YJM993]" . . . . . 100.24 416 98.55 98.55 0.00e+00 . . . . 1843 1 12 no REF NP_009938 . "phosphoglycerate kinase [Saccharomyces cerevisiae S288c]" . . . . . 100.24 416 98.55 98.55 0.00e+00 . . . . 1843 1 13 no SP P00560 . "RecName: Full=Phosphoglycerate kinase" . . . . . 100.24 416 98.55 98.55 0.00e+00 . . . . 1843 1 14 no TPG DAA07490 . "TPA: phosphoglycerate kinase [Saccharomyces cerevisiae S288c]" . . . . . 100.24 416 98.55 98.55 0.00e+00 . . . . 1843 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'phosphoglycerate kinase' common 1843 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 . 1843 1 2 . LEU . 1843 1 3 . SER . 1843 1 4 . SER . 1843 1 5 . LYS . 1843 1 6 . LEU . 1843 1 7 . SER . 1843 1 8 . VAL . 1843 1 9 . GLN . 1843 1 10 . ASP . 1843 1 11 . SER . 1843 1 12 . ASP . 1843 1 13 . LEU . 1843 1 14 . LYS . 1843 1 15 . ASP . 1843 1 16 . LYS . 1843 1 17 . ARG . 1843 1 18 . VAL . 1843 1 19 . PHE . 1843 1 20 . ILE . 1843 1 21 . ARG . 1843 1 22 . VAL . 1843 1 23 . ASP . 1843 1 24 . PHE . 1843 1 25 . ASN . 1843 1 26 . VAL . 1843 1 27 . PRO . 1843 1 28 . LEU . 1843 1 29 . ASP . 1843 1 30 . GLY . 1843 1 31 . LYS . 1843 1 32 . LYS . 1843 1 33 . ILE . 1843 1 34 . THR . 1843 1 35 . SER . 1843 1 36 . GLN . 1843 1 37 . GLN . 1843 1 38 . ARG . 1843 1 39 . ILE . 1843 1 40 . VAL . 1843 1 41 . ALA . 1843 1 42 . ALA . 1843 1 43 . LEU . 1843 1 44 . PRO . 1843 1 45 . THR . 1843 1 46 . ILE . 1843 1 47 . LYS . 1843 1 48 . TYR . 1843 1 49 . VAL . 1843 1 50 . LEU . 1843 1 51 . GLU . 1843 1 52 . HIS . 1843 1 53 . HIS . 1843 1 54 . PRO . 1843 1 55 . ARG . 1843 1 56 . TYR . 1843 1 57 . VAL . 1843 1 58 . VAL . 1843 1 59 . LEU . 1843 1 60 . LEU . 1843 1 61 . SER . 1843 1 62 . HIS . 1843 1 63 . LEU . 1843 1 64 . GLY . 1843 1 65 . ARG . 1843 1 66 . PRO . 1843 1 67 . ASN . 1843 1 68 . GLY . 1843 1 69 . GLU . 1843 1 70 . ARG . 1843 1 71 . ASN . 1843 1 72 . GLU . 1843 1 73 . LYS . 1843 1 74 . TYR . 1843 1 75 . SER . 1843 1 76 . LEU . 1843 1 77 . ALA . 1843 1 78 . PRO . 1843 1 79 . VAL . 1843 1 80 . ALA . 1843 1 81 . LYS . 1843 1 82 . GLU . 1843 1 83 . LEU . 1843 1 84 . GLN . 1843 1 85 . SER . 1843 1 86 . LEU . 1843 1 87 . LEU . 1843 1 88 . GLY . 1843 1 89 . LYS . 1843 1 90 . ASP . 1843 1 91 . VAL . 1843 1 92 . THR . 1843 1 93 . PHE . 1843 1 94 . LEU . 1843 1 95 . ASN . 1843 1 96 . ASP . 1843 1 97 . CYS . 1843 1 98 . VAL . 1843 1 99 . SER . 1843 1 100 . PRO . 1843 1 101 . GLU . 1843 1 102 . VAL . 1843 1 103 . GLU . 1843 1 104 . ALA . 1843 1 105 . ALA . 1843 1 106 . VAL . 1843 1 107 . LYS . 1843 1 108 . ALA . 1843 1 109 . SER . 1843 1 110 . ALA . 1843 1 111 . PRO . 1843 1 112 . GLY . 1843 1 113 . SER . 1843 1 114 . VAL . 1843 1 115 . ILE . 1843 1 116 . LEU . 1843 1 117 . LEU . 1843 1 118 . GLU . 1843 1 119 . ASN . 1843 1 120 . LEU . 1843 1 121 . ARG . 1843 1 122 . TYR . 1843 1 123 . HIS . 1843 1 124 . ILE . 1843 1 125 . GLU . 1843 1 126 . GLU . 1843 1 127 . GLU . 1843 1 128 . GLY . 1843 1 129 . SER . 1843 1 130 . ARG . 1843 1 131 . LYS . 1843 1 132 . VAL . 1843 1 133 . ASP . 1843 1 134 . GLY . 1843 1 135 . GLN . 1843 1 136 . LYS . 1843 1 137 . VAL . 1843 1 138 . LYS . 1843 1 139 . ALA . 1843 1 140 . SER . 1843 1 141 . LYS . 1843 1 142 . GLU . 1843 1 143 . ASP . 1843 1 144 . VAL . 1843 1 145 . GLN . 1843 1 146 . LYS . 1843 1 147 . PHE . 1843 1 148 . ARG . 1843 1 149 . HIS . 1843 1 150 . GLU . 1843 1 151 . LEU . 1843 1 152 . SER . 1843 1 153 . SER . 1843 1 154 . LEU . 1843 1 155 . ALA . 1843 1 156 . ASP . 1843 1 157 . VAL . 1843 1 158 . TYR . 1843 1 159 . ILE . 1843 1 160 . ASN . 1843 1 161 . ASP . 1843 1 162 . ALA . 1843 1 163 . PHE . 1843 1 164 . GLY . 1843 1 165 . THR . 1843 1 166 . ALA . 1843 1 167 . HIS . 1843 1 168 . ARG . 1843 1 169 . ALA . 1843 1 170 . HIS . 1843 1 171 . SER . 1843 1 172 . SER . 1843 1 173 . VAL . 1843 1 174 . GLY . 1843 1 175 . PHE . 1843 1 176 . ASP . 1843 1 177 . LEU . 1843 1 178 . PRO . 1843 1 179 . GLN . 1843 1 180 . ARG . 1843 1 181 . ALA . 1843 1 182 . ALA . 1843 1 183 . GLY . 1843 1 184 . PHE . 1843 1 185 . LEU . 1843 1 186 . LEU . 1843 1 187 . GLU . 1843 1 188 . LYS . 1843 1 189 . GLU . 1843 1 190 . LEU . 1843 1 191 . LYS . 1843 1 192 . TYR . 1843 1 193 . PHE . 1843 1 194 . GLY . 1843 1 195 . LYS . 1843 1 196 . ALA . 1843 1 197 . LEU . 1843 1 198 . GLU . 1843 1 199 . ASN . 1843 1 200 . PRO . 1843 1 201 . THR . 1843 1 202 . ARG . 1843 1 203 . PRO . 1843 1 204 . PHE . 1843 1 205 . LEU . 1843 1 206 . ALA . 1843 1 207 . ILE . 1843 1 208 . LEU . 1843 1 209 . GLY . 1843 1 210 . GLY . 1843 1 211 . ALA . 1843 1 212 . LYS . 1843 1 213 . VAL . 1843 1 214 . ALA . 1843 1 215 . ASP . 1843 1 216 . LYS . 1843 1 217 . ILE . 1843 1 218 . GLN . 1843 1 219 . LEU . 1843 1 220 . ILE . 1843 1 221 . ASP . 1843 1 222 . ASN . 1843 1 223 . LEU . 1843 1 224 . LEU . 1843 1 225 . ASP . 1843 1 226 . LYS . 1843 1 227 . VAL . 1843 1 228 . ASP . 1843 1 229 . SER . 1843 1 230 . ILE . 1843 1 231 . ILE . 1843 1 232 . ILE . 1843 1 233 . GLY . 1843 1 234 . GLY . 1843 1 235 . GLY . 1843 1 236 . MET . 1843 1 237 . ALA . 1843 1 238 . PHE . 1843 1 239 . THR . 1843 1 240 . PHE . 1843 1 241 . LYS . 1843 1 242 . LYS . 1843 1 243 . VAL . 1843 1 244 . LEU . 1843 1 245 . GLU . 1843 1 246 . ASN . 1843 1 247 . THR . 1843 1 248 . GLU . 1843 1 249 . ILE . 1843 1 250 . GLY . 1843 1 251 . ASP . 1843 1 252 . SER . 1843 1 253 . ILE . 1843 1 254 . PHE . 1843 1 255 . ASP . 1843 1 256 . LYS . 1843 1 257 . ALA . 1843 1 258 . GLY . 1843 1 259 . ALA . 1843 1 260 . GLU . 1843 1 261 . ILE . 1843 1 262 . VAL . 1843 1 263 . PRO . 1843 1 264 . LYS . 1843 1 265 . LEU . 1843 1 266 . MET . 1843 1 267 . GLU . 1843 1 268 . LYS . 1843 1 269 . ALA . 1843 1 270 . LYS . 1843 1 271 . ALA . 1843 1 272 . LYS . 1843 1 273 . GLY . 1843 1 274 . VAL . 1843 1 275 . GLU . 1843 1 276 . VAL . 1843 1 277 . VAL . 1843 1 278 . LEU . 1843 1 279 . PRO . 1843 1 280 . VAL . 1843 1 281 . ASP . 1843 1 282 . PHE . 1843 1 283 . ILE . 1843 1 284 . ILE . 1843 1 285 . ALA . 1843 1 286 . ASP . 1843 1 287 . ALA . 1843 1 288 . PHE . 1843 1 289 . SER . 1843 1 290 . ALA . 1843 1 291 . ASP . 1843 1 292 . ALA . 1843 1 293 . ASN . 1843 1 294 . THR . 1843 1 295 . LYS . 1843 1 296 . THR . 1843 1 297 . VAL . 1843 1 298 . THR . 1843 1 299 . ASP . 1843 1 300 . LYS . 1843 1 301 . GLU . 1843 1 302 . GLY . 1843 1 303 . ILE . 1843 1 304 . PRO . 1843 1 305 . ALA . 1843 1 306 . GLY . 1843 1 307 . TRP . 1843 1 308 . GLN . 1843 1 309 . GLY . 1843 1 310 . LEU . 1843 1 311 . ASP . 1843 1 312 . ASN . 1843 1 313 . GLY . 1843 1 314 . PRO . 1843 1 315 . GLU . 1843 1 316 . SER . 1843 1 317 . ARG . 1843 1 318 . LYS . 1843 1 319 . LEU . 1843 1 320 . PHE . 1843 1 321 . ALA . 1843 1 322 . ALA . 1843 1 323 . THR . 1843 1 324 . VAL . 1843 1 325 . ALA . 1843 1 326 . LYS . 1843 1 327 . ALA . 1843 1 328 . LYS . 1843 1 329 . THR . 1843 1 330 . ILE . 1843 1 331 . VAL . 1843 1 332 . TRP . 1843 1 333 . ASN . 1843 1 334 . GLY . 1843 1 335 . PRO . 1843 1 336 . PRO . 1843 1 337 . GLY . 1843 1 338 . VAL . 1843 1 339 . THR . 1843 1 340 . GLU . 1843 1 341 . PHE . 1843 1 342 . GLU . 1843 1 343 . LYS . 1843 1 344 . PHE . 1843 1 345 . ALA . 1843 1 346 . ALA . 1843 1 347 . GLY . 1843 1 348 . THR . 1843 1 349 . LYS . 1843 1 350 . ALA . 1843 1 351 . LEU . 1843 1 352 . LEU . 1843 1 353 . ASP . 1843 1 354 . GLU . 1843 1 355 . VAL . 1843 1 356 . VAL . 1843 1 357 . LYS . 1843 1 358 . SER . 1843 1 359 . SER . 1843 1 360 . ALA . 1843 1 361 . ALA . 1843 1 362 . GLY . 1843 1 363 . ASN . 1843 1 364 . THR . 1843 1 365 . VAL . 1843 1 366 . ILE . 1843 1 367 . ILE . 1843 1 368 . GLY . 1843 1 369 . GLY . 1843 1 370 . GLY . 1843 1 371 . ASP . 1843 1 372 . THR . 1843 1 373 . ALA . 1843 1 374 . THR . 1843 1 375 . VAL . 1843 1 376 . ALA . 1843 1 377 . LYS . 1843 1 378 . LYS . 1843 1 379 . TYR . 1843 1 380 . GLY . 1843 1 381 . VAL . 1843 1 382 . THR . 1843 1 383 . ASP . 1843 1 384 . LYS . 1843 1 385 . ILE . 1843 1 386 . SER . 1843 1 387 . HIS . 1843 1 388 . VAL . 1843 1 389 . SER . 1843 1 390 . THR . 1843 1 391 . GLY . 1843 1 392 . GLY . 1843 1 393 . GLY . 1843 1 394 . ALA . 1843 1 395 . SER . 1843 1 396 . LEU . 1843 1 397 . GLU . 1843 1 398 . LEU . 1843 1 399 . LEU . 1843 1 400 . GLU . 1843 1 401 . GLY . 1843 1 402 . LYS . 1843 1 403 . GLU . 1843 1 404 . LEU . 1843 1 405 . PRO . 1843 1 406 . GLY . 1843 1 407 . VAL . 1843 1 408 . ALA . 1843 1 409 . PHE . 1843 1 410 . LEU . 1843 1 411 . SER . 1843 1 412 . GLU . 1843 1 413 . LYS . 1843 1 414 . LYS . 1843 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 1843 1 . LEU 2 2 1843 1 . SER 3 3 1843 1 . SER 4 4 1843 1 . LYS 5 5 1843 1 . LEU 6 6 1843 1 . SER 7 7 1843 1 . VAL 8 8 1843 1 . GLN 9 9 1843 1 . ASP 10 10 1843 1 . SER 11 11 1843 1 . ASP 12 12 1843 1 . LEU 13 13 1843 1 . LYS 14 14 1843 1 . ASP 15 15 1843 1 . LYS 16 16 1843 1 . ARG 17 17 1843 1 . VAL 18 18 1843 1 . PHE 19 19 1843 1 . ILE 20 20 1843 1 . ARG 21 21 1843 1 . VAL 22 22 1843 1 . ASP 23 23 1843 1 . PHE 24 24 1843 1 . ASN 25 25 1843 1 . VAL 26 26 1843 1 . PRO 27 27 1843 1 . LEU 28 28 1843 1 . ASP 29 29 1843 1 . GLY 30 30 1843 1 . LYS 31 31 1843 1 . LYS 32 32 1843 1 . ILE 33 33 1843 1 . THR 34 34 1843 1 . SER 35 35 1843 1 . GLN 36 36 1843 1 . GLN 37 37 1843 1 . ARG 38 38 1843 1 . ILE 39 39 1843 1 . VAL 40 40 1843 1 . ALA 41 41 1843 1 . ALA 42 42 1843 1 . LEU 43 43 1843 1 . PRO 44 44 1843 1 . THR 45 45 1843 1 . ILE 46 46 1843 1 . LYS 47 47 1843 1 . TYR 48 48 1843 1 . VAL 49 49 1843 1 . LEU 50 50 1843 1 . GLU 51 51 1843 1 . HIS 52 52 1843 1 . HIS 53 53 1843 1 . PRO 54 54 1843 1 . ARG 55 55 1843 1 . TYR 56 56 1843 1 . VAL 57 57 1843 1 . VAL 58 58 1843 1 . LEU 59 59 1843 1 . LEU 60 60 1843 1 . SER 61 61 1843 1 . HIS 62 62 1843 1 . LEU 63 63 1843 1 . GLY 64 64 1843 1 . ARG 65 65 1843 1 . PRO 66 66 1843 1 . ASN 67 67 1843 1 . GLY 68 68 1843 1 . GLU 69 69 1843 1 . ARG 70 70 1843 1 . ASN 71 71 1843 1 . GLU 72 72 1843 1 . LYS 73 73 1843 1 . TYR 74 74 1843 1 . SER 75 75 1843 1 . LEU 76 76 1843 1 . ALA 77 77 1843 1 . PRO 78 78 1843 1 . VAL 79 79 1843 1 . ALA 80 80 1843 1 . LYS 81 81 1843 1 . GLU 82 82 1843 1 . LEU 83 83 1843 1 . GLN 84 84 1843 1 . SER 85 85 1843 1 . LEU 86 86 1843 1 . LEU 87 87 1843 1 . GLY 88 88 1843 1 . LYS 89 89 1843 1 . ASP 90 90 1843 1 . VAL 91 91 1843 1 . THR 92 92 1843 1 . PHE 93 93 1843 1 . LEU 94 94 1843 1 . ASN 95 95 1843 1 . ASP 96 96 1843 1 . CYS 97 97 1843 1 . VAL 98 98 1843 1 . SER 99 99 1843 1 . PRO 100 100 1843 1 . GLU 101 101 1843 1 . VAL 102 102 1843 1 . GLU 103 103 1843 1 . ALA 104 104 1843 1 . ALA 105 105 1843 1 . VAL 106 106 1843 1 . LYS 107 107 1843 1 . ALA 108 108 1843 1 . SER 109 109 1843 1 . ALA 110 110 1843 1 . PRO 111 111 1843 1 . GLY 112 112 1843 1 . SER 113 113 1843 1 . VAL 114 114 1843 1 . ILE 115 115 1843 1 . LEU 116 116 1843 1 . LEU 117 117 1843 1 . GLU 118 118 1843 1 . ASN 119 119 1843 1 . LEU 120 120 1843 1 . ARG 121 121 1843 1 . TYR 122 122 1843 1 . HIS 123 123 1843 1 . ILE 124 124 1843 1 . GLU 125 125 1843 1 . GLU 126 126 1843 1 . GLU 127 127 1843 1 . GLY 128 128 1843 1 . SER 129 129 1843 1 . ARG 130 130 1843 1 . LYS 131 131 1843 1 . VAL 132 132 1843 1 . ASP 133 133 1843 1 . GLY 134 134 1843 1 . GLN 135 135 1843 1 . LYS 136 136 1843 1 . VAL 137 137 1843 1 . LYS 138 138 1843 1 . ALA 139 139 1843 1 . SER 140 140 1843 1 . LYS 141 141 1843 1 . GLU 142 142 1843 1 . ASP 143 143 1843 1 . VAL 144 144 1843 1 . GLN 145 145 1843 1 . LYS 146 146 1843 1 . PHE 147 147 1843 1 . ARG 148 148 1843 1 . HIS 149 149 1843 1 . GLU 150 150 1843 1 . LEU 151 151 1843 1 . SER 152 152 1843 1 . SER 153 153 1843 1 . LEU 154 154 1843 1 . ALA 155 155 1843 1 . ASP 156 156 1843 1 . VAL 157 157 1843 1 . TYR 158 158 1843 1 . ILE 159 159 1843 1 . ASN 160 160 1843 1 . ASP 161 161 1843 1 . ALA 162 162 1843 1 . PHE 163 163 1843 1 . GLY 164 164 1843 1 . THR 165 165 1843 1 . ALA 166 166 1843 1 . HIS 167 167 1843 1 . ARG 168 168 1843 1 . ALA 169 169 1843 1 . HIS 170 170 1843 1 . SER 171 171 1843 1 . SER 172 172 1843 1 . VAL 173 173 1843 1 . GLY 174 174 1843 1 . PHE 175 175 1843 1 . ASP 176 176 1843 1 . LEU 177 177 1843 1 . PRO 178 178 1843 1 . GLN 179 179 1843 1 . ARG 180 180 1843 1 . ALA 181 181 1843 1 . ALA 182 182 1843 1 . GLY 183 183 1843 1 . PHE 184 184 1843 1 . LEU 185 185 1843 1 . LEU 186 186 1843 1 . GLU 187 187 1843 1 . LYS 188 188 1843 1 . GLU 189 189 1843 1 . LEU 190 190 1843 1 . LYS 191 191 1843 1 . TYR 192 192 1843 1 . PHE 193 193 1843 1 . GLY 194 194 1843 1 . LYS 195 195 1843 1 . ALA 196 196 1843 1 . LEU 197 197 1843 1 . GLU 198 198 1843 1 . ASN 199 199 1843 1 . PRO 200 200 1843 1 . THR 201 201 1843 1 . ARG 202 202 1843 1 . PRO 203 203 1843 1 . PHE 204 204 1843 1 . LEU 205 205 1843 1 . ALA 206 206 1843 1 . ILE 207 207 1843 1 . LEU 208 208 1843 1 . GLY 209 209 1843 1 . GLY 210 210 1843 1 . ALA 211 211 1843 1 . LYS 212 212 1843 1 . VAL 213 213 1843 1 . ALA 214 214 1843 1 . ASP 215 215 1843 1 . LYS 216 216 1843 1 . ILE 217 217 1843 1 . GLN 218 218 1843 1 . LEU 219 219 1843 1 . ILE 220 220 1843 1 . ASP 221 221 1843 1 . ASN 222 222 1843 1 . LEU 223 223 1843 1 . LEU 224 224 1843 1 . ASP 225 225 1843 1 . LYS 226 226 1843 1 . VAL 227 227 1843 1 . ASP 228 228 1843 1 . SER 229 229 1843 1 . ILE 230 230 1843 1 . ILE 231 231 1843 1 . ILE 232 232 1843 1 . GLY 233 233 1843 1 . GLY 234 234 1843 1 . GLY 235 235 1843 1 . MET 236 236 1843 1 . ALA 237 237 1843 1 . PHE 238 238 1843 1 . THR 239 239 1843 1 . PHE 240 240 1843 1 . LYS 241 241 1843 1 . LYS 242 242 1843 1 . VAL 243 243 1843 1 . LEU 244 244 1843 1 . GLU 245 245 1843 1 . ASN 246 246 1843 1 . THR 247 247 1843 1 . GLU 248 248 1843 1 . ILE 249 249 1843 1 . GLY 250 250 1843 1 . ASP 251 251 1843 1 . SER 252 252 1843 1 . ILE 253 253 1843 1 . PHE 254 254 1843 1 . ASP 255 255 1843 1 . LYS 256 256 1843 1 . ALA 257 257 1843 1 . GLY 258 258 1843 1 . ALA 259 259 1843 1 . GLU 260 260 1843 1 . ILE 261 261 1843 1 . VAL 262 262 1843 1 . PRO 263 263 1843 1 . LYS 264 264 1843 1 . LEU 265 265 1843 1 . MET 266 266 1843 1 . GLU 267 267 1843 1 . LYS 268 268 1843 1 . ALA 269 269 1843 1 . LYS 270 270 1843 1 . ALA 271 271 1843 1 . LYS 272 272 1843 1 . GLY 273 273 1843 1 . VAL 274 274 1843 1 . GLU 275 275 1843 1 . VAL 276 276 1843 1 . VAL 277 277 1843 1 . LEU 278 278 1843 1 . PRO 279 279 1843 1 . VAL 280 280 1843 1 . ASP 281 281 1843 1 . PHE 282 282 1843 1 . ILE 283 283 1843 1 . ILE 284 284 1843 1 . ALA 285 285 1843 1 . ASP 286 286 1843 1 . ALA 287 287 1843 1 . PHE 288 288 1843 1 . SER 289 289 1843 1 . ALA 290 290 1843 1 . ASP 291 291 1843 1 . ALA 292 292 1843 1 . ASN 293 293 1843 1 . THR 294 294 1843 1 . LYS 295 295 1843 1 . THR 296 296 1843 1 . VAL 297 297 1843 1 . THR 298 298 1843 1 . ASP 299 299 1843 1 . LYS 300 300 1843 1 . GLU 301 301 1843 1 . GLY 302 302 1843 1 . ILE 303 303 1843 1 . PRO 304 304 1843 1 . ALA 305 305 1843 1 . GLY 306 306 1843 1 . TRP 307 307 1843 1 . GLN 308 308 1843 1 . GLY 309 309 1843 1 . LEU 310 310 1843 1 . ASP 311 311 1843 1 . ASN 312 312 1843 1 . GLY 313 313 1843 1 . PRO 314 314 1843 1 . GLU 315 315 1843 1 . SER 316 316 1843 1 . ARG 317 317 1843 1 . LYS 318 318 1843 1 . LEU 319 319 1843 1 . PHE 320 320 1843 1 . ALA 321 321 1843 1 . ALA 322 322 1843 1 . THR 323 323 1843 1 . VAL 324 324 1843 1 . ALA 325 325 1843 1 . LYS 326 326 1843 1 . ALA 327 327 1843 1 . LYS 328 328 1843 1 . THR 329 329 1843 1 . ILE 330 330 1843 1 . VAL 331 331 1843 1 . TRP 332 332 1843 1 . ASN 333 333 1843 1 . GLY 334 334 1843 1 . PRO 335 335 1843 1 . PRO 336 336 1843 1 . GLY 337 337 1843 1 . VAL 338 338 1843 1 . THR 339 339 1843 1 . GLU 340 340 1843 1 . PHE 341 341 1843 1 . GLU 342 342 1843 1 . LYS 343 343 1843 1 . PHE 344 344 1843 1 . ALA 345 345 1843 1 . ALA 346 346 1843 1 . GLY 347 347 1843 1 . THR 348 348 1843 1 . LYS 349 349 1843 1 . ALA 350 350 1843 1 . LEU 351 351 1843 1 . LEU 352 352 1843 1 . ASP 353 353 1843 1 . GLU 354 354 1843 1 . VAL 355 355 1843 1 . VAL 356 356 1843 1 . LYS 357 357 1843 1 . SER 358 358 1843 1 . SER 359 359 1843 1 . ALA 360 360 1843 1 . ALA 361 361 1843 1 . GLY 362 362 1843 1 . ASN 363 363 1843 1 . THR 364 364 1843 1 . VAL 365 365 1843 1 . ILE 366 366 1843 1 . ILE 367 367 1843 1 . GLY 368 368 1843 1 . GLY 369 369 1843 1 . GLY 370 370 1843 1 . ASP 371 371 1843 1 . THR 372 372 1843 1 . ALA 373 373 1843 1 . THR 374 374 1843 1 . VAL 375 375 1843 1 . ALA 376 376 1843 1 . LYS 377 377 1843 1 . LYS 378 378 1843 1 . TYR 379 379 1843 1 . GLY 380 380 1843 1 . VAL 381 381 1843 1 . THR 382 382 1843 1 . ASP 383 383 1843 1 . LYS 384 384 1843 1 . ILE 385 385 1843 1 . SER 386 386 1843 1 . HIS 387 387 1843 1 . VAL 388 388 1843 1 . SER 389 389 1843 1 . THR 390 390 1843 1 . GLY 391 391 1843 1 . GLY 392 392 1843 1 . GLY 393 393 1843 1 . ALA 394 394 1843 1 . SER 395 395 1843 1 . LEU 396 396 1843 1 . GLU 397 397 1843 1 . LEU 398 398 1843 1 . LEU 399 399 1843 1 . GLU 400 400 1843 1 . GLY 401 401 1843 1 . LYS 402 402 1843 1 . GLU 403 403 1843 1 . LEU 404 404 1843 1 . PRO 405 405 1843 1 . GLY 406 406 1843 1 . VAL 407 407 1843 1 . ALA 408 408 1843 1 . PHE 409 409 1843 1 . LEU 410 410 1843 1 . SER 411 411 1843 1 . GLU 412 412 1843 1 . LYS 413 413 1843 1 . LYS 414 414 1843 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 1843 _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 . . . . . . . . . . . . . . . . . . . . . 1843 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 1843 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1843 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 1843 _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 1843 _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 1843 1 temperature 300 . K 1843 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 1843 _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 1843 _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' . . 1843 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 1843 _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 . . . . . . . . . . . . . . . . 1843 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 1843 _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 1843 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 1843 _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 . 1843 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 62 62 HIS HE1 H 1 8.66 . . 1 . . . . . . . . 1843 1 2 . 1 1 167 167 HIS HE1 H 1 8.03 . . 1 . . . . . . . . 1843 1 3 . 1 1 170 170 HIS HE1 H 1 7.64 . . 1 . . . . . . . . 1843 1 stop_ save_