data_17115 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17115 _Entry.Title ; Effects of Domain Dissection on the Folding and Stability of the 43 kDa Protein PGK Probed by NMR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-11 _Entry.Accession_date 2010-08-11 _Entry.Last_release_date 2010-11-10 _Entry.Original_release_date 2010-11-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Michelle Reed . A.C. . 17115 2 Andrea Hounslow . M. . 17115 3 K. Sze . H. . 17115 4 Igor Barsukov . G. . 17115 5 Laszlo Hosszu . L.P. . 17115 6 Anthony Clarke . R. . 17115 7 C. Craven . J. . 17115 8 Jonathan Waltho . P. . 17115 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID chemical_rates 1 17115 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'kinetic rates' 184 17115 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 . . 2010-11-10 2010-08-11 original author . 17115 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17115 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12860138 _Citation.Full_citation . _Citation.Title 'Effects of Domain Dissection on the Folding and Stability of the 43 kDa Protein PGK Probed by NMR' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of Molecular Biology' _Citation.Journal_volume 330 _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 1189 _Citation.Page_last 1201 _Citation.Year 2003 _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 Michelle Reed . A.C. . 17115 1 2 Andrea Hounslow . M. . 17115 1 3 K. Sze . H. . 17115 1 4 Igor Barsukov . G. . 17115 1 5 Laszlo Hosszu . L.P. . 17115 1 6 Anthony Clarke . R. . 17115 1 7 C. Craven . J. . 17115 1 8 Jonathan Waltho . P. . 17115 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17115 _Assembly.ID 1 _Assembly.Name 'PGK amide exchange' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 PGK 1 $PGK A . yes native no no . . . 17115 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PGK _Entity.Sf_category entity _Entity.Sf_framecode PGK _Entity.Entry_ID 17115 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PGK _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 ; MNKKTIRDVDVRGKRVFCRV DFNVPMEQGAITDDTRIRAA LPTIRYLIEHGAKVILASHL GRPKGKVVEELRLDAVAKRL GELLERPVAKTNEAVGDEVK AAVDRLNEGDVLLLENVRFY PGEEKNDPELAKAFAELADL YVNDAFGAAHRAHASTEGIA HYLPAVAGFLMEKELEVLGK ALSNPDRPFTAIIGGAKVKD KIGVIDNLLEKVDNLIIGGG LAYTFVKALGHDVGKSLLEE DKIELAKSFMEKAKEKGVRF YMPVDVVVADRFANDANTKV VPIDAIPADYSALDIGPKTR ELYRDVIRESKLVVWNGPMG VFEMDAFAHGTKAIAEALAE ALDTYSVIGGGDSAAAVEKF GLADKMDHISTGGGASLEFM EGKQLPGVVALEDK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _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 394 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation W290Y _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 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 16447 . PGK . . . . . 100.00 394 100.00 100.00 0.00e+00 . . . . 17115 1 2 no BMRB 16451 . PGK . . . . . 100.00 394 100.00 100.00 0.00e+00 . . . . 17115 1 3 no BMRB 16464 . PGK . . . . . 100.00 394 100.00 100.00 0.00e+00 . . . . 17115 1 4 no PDB 1PHP . "Structure Of The Adp Complex Of The 3-Phosphoglycerate Kinase From Bacillus Stearothermophilus At 1.65 Angstroms" . . . . . 100.00 394 99.75 100.00 0.00e+00 . . . . 17115 1 5 no DBJ BAD77342 . "3-phosphoglycerate kinase [Geobacillus kaustophilus HTA426]" . . . . . 100.00 394 97.97 99.24 0.00e+00 . . . . 17115 1 6 no DBJ GAD14836 . "phosphoglycerate kinase [Geobacillus kaustophilus GBlys]" . . . . . 100.00 394 97.97 99.24 0.00e+00 . . . . 17115 1 7 no DBJ GAJ57507 . "phosphoglycerate kinase [Geobacillus thermoleovorans B23]" . . . . . 100.00 394 97.97 99.24 0.00e+00 . . . . 17115 1 8 no EMBL CAA41093 . "3-phosphoglycerate kinase [Geobacillus stearothermophilus]" . . . . . 100.00 394 99.75 100.00 0.00e+00 . . . . 17115 1 9 no GB ACX79693 . "Phosphoglycerate kinase [Geobacillus sp. Y412MC61]" . . . . . 100.00 394 97.21 99.24 0.00e+00 . . . . 17115 1 10 no GB ADI28008 . "Phosphoglycerate kinase [Geobacillus sp. C56-T3]" . . . . . 100.00 394 97.46 99.24 0.00e+00 . . . . 17115 1 11 no GB ADU95522 . "Phosphoglycerate kinase [Geobacillus sp. Y412MC52]" . . . . . 100.00 394 97.21 99.24 0.00e+00 . . . . 17115 1 12 no GB AEV20724 . "Phosphoglycerate kinase [Geobacillus thermoleovorans CCB_US3_UF5]" . . . . . 100.00 394 97.97 99.24 0.00e+00 . . . . 17115 1 13 no GB AGE23620 . "phosphoglycerate kinase [Geobacillus sp. GHH01]" . . . . . 100.00 394 97.72 98.98 0.00e+00 . . . . 17115 1 14 no REF WP_011232527 . "MULTISPECIES: phosphoglycerate kinase [Geobacillus]" . . . . . 100.00 394 97.97 99.24 0.00e+00 . . . . 17115 1 15 no REF WP_013146368 . "phosphoglycerate kinase [Geobacillus sp. C56-T3]" . . . . . 100.00 394 97.46 99.24 0.00e+00 . . . . 17115 1 16 no REF WP_013524587 . "MULTISPECIES: phosphoglycerate kinase [Geobacillus]" . . . . . 100.00 394 97.21 99.24 0.00e+00 . . . . 17115 1 17 no REF WP_015375782 . "phosphoglycerate kinase [Geobacillus sp. GHH01]" . . . . . 100.00 394 97.72 98.98 0.00e+00 . . . . 17115 1 18 no REF WP_023633686 . "phosphoglycerate kinase [Geobacillus sp. MAS1]" . . . . . 100.00 394 97.97 99.24 0.00e+00 . . . . 17115 1 19 no SP P18912 . "RecName: Full=Phosphoglycerate kinase" . . . . . 100.00 394 99.75 100.00 0.00e+00 . . . . 17115 1 20 no SP Q5KVE4 . "RecName: Full=Phosphoglycerate kinase" . . . . . 100.00 394 97.97 99.24 0.00e+00 . . . . 17115 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 . MET . 17115 1 2 . ASN . 17115 1 3 . LYS . 17115 1 4 . LYS . 17115 1 5 . THR . 17115 1 6 . ILE . 17115 1 7 . ARG . 17115 1 8 . ASP . 17115 1 9 . VAL . 17115 1 10 . ASP . 17115 1 11 . VAL . 17115 1 12 . ARG . 17115 1 13 . GLY . 17115 1 14 . LYS . 17115 1 15 . ARG . 17115 1 16 . VAL . 17115 1 17 . PHE . 17115 1 18 . CYS . 17115 1 19 . ARG . 17115 1 20 . VAL . 17115 1 21 . ASP . 17115 1 22 . PHE . 17115 1 23 . ASN . 17115 1 24 . VAL . 17115 1 25 . PRO . 17115 1 26 . MET . 17115 1 27 . GLU . 17115 1 28 . GLN . 17115 1 29 . GLY . 17115 1 30 . ALA . 17115 1 31 . ILE . 17115 1 32 . THR . 17115 1 33 . ASP . 17115 1 34 . ASP . 17115 1 35 . THR . 17115 1 36 . ARG . 17115 1 37 . ILE . 17115 1 38 . ARG . 17115 1 39 . ALA . 17115 1 40 . ALA . 17115 1 41 . LEU . 17115 1 42 . PRO . 17115 1 43 . THR . 17115 1 44 . ILE . 17115 1 45 . ARG . 17115 1 46 . TYR . 17115 1 47 . LEU . 17115 1 48 . ILE . 17115 1 49 . GLU . 17115 1 50 . HIS . 17115 1 51 . GLY . 17115 1 52 . ALA . 17115 1 53 . LYS . 17115 1 54 . VAL . 17115 1 55 . ILE . 17115 1 56 . LEU . 17115 1 57 . ALA . 17115 1 58 . SER . 17115 1 59 . HIS . 17115 1 60 . LEU . 17115 1 61 . GLY . 17115 1 62 . ARG . 17115 1 63 . PRO . 17115 1 64 . LYS . 17115 1 65 . GLY . 17115 1 66 . LYS . 17115 1 67 . VAL . 17115 1 68 . VAL . 17115 1 69 . GLU . 17115 1 70 . GLU . 17115 1 71 . LEU . 17115 1 72 . ARG . 17115 1 73 . LEU . 17115 1 74 . ASP . 17115 1 75 . ALA . 17115 1 76 . VAL . 17115 1 77 . ALA . 17115 1 78 . LYS . 17115 1 79 . ARG . 17115 1 80 . LEU . 17115 1 81 . GLY . 17115 1 82 . GLU . 17115 1 83 . LEU . 17115 1 84 . LEU . 17115 1 85 . GLU . 17115 1 86 . ARG . 17115 1 87 . PRO . 17115 1 88 . VAL . 17115 1 89 . ALA . 17115 1 90 . LYS . 17115 1 91 . THR . 17115 1 92 . ASN . 17115 1 93 . GLU . 17115 1 94 . ALA . 17115 1 95 . VAL . 17115 1 96 . GLY . 17115 1 97 . ASP . 17115 1 98 . GLU . 17115 1 99 . VAL . 17115 1 100 . LYS . 17115 1 101 . ALA . 17115 1 102 . ALA . 17115 1 103 . VAL . 17115 1 104 . ASP . 17115 1 105 . ARG . 17115 1 106 . LEU . 17115 1 107 . ASN . 17115 1 108 . GLU . 17115 1 109 . GLY . 17115 1 110 . ASP . 17115 1 111 . VAL . 17115 1 112 . LEU . 17115 1 113 . LEU . 17115 1 114 . LEU . 17115 1 115 . GLU . 17115 1 116 . ASN . 17115 1 117 . VAL . 17115 1 118 . ARG . 17115 1 119 . PHE . 17115 1 120 . TYR . 17115 1 121 . PRO . 17115 1 122 . GLY . 17115 1 123 . GLU . 17115 1 124 . GLU . 17115 1 125 . LYS . 17115 1 126 . ASN . 17115 1 127 . ASP . 17115 1 128 . PRO . 17115 1 129 . GLU . 17115 1 130 . LEU . 17115 1 131 . ALA . 17115 1 132 . LYS . 17115 1 133 . ALA . 17115 1 134 . PHE . 17115 1 135 . ALA . 17115 1 136 . GLU . 17115 1 137 . LEU . 17115 1 138 . ALA . 17115 1 139 . ASP . 17115 1 140 . LEU . 17115 1 141 . TYR . 17115 1 142 . VAL . 17115 1 143 . ASN . 17115 1 144 . ASP . 17115 1 145 . ALA . 17115 1 146 . PHE . 17115 1 147 . GLY . 17115 1 148 . ALA . 17115 1 149 . ALA . 17115 1 150 . HIS . 17115 1 151 . ARG . 17115 1 152 . ALA . 17115 1 153 . HIS . 17115 1 154 . ALA . 17115 1 155 . SER . 17115 1 156 . THR . 17115 1 157 . GLU . 17115 1 158 . GLY . 17115 1 159 . ILE . 17115 1 160 . ALA . 17115 1 161 . HIS . 17115 1 162 . TYR . 17115 1 163 . LEU . 17115 1 164 . PRO . 17115 1 165 . ALA . 17115 1 166 . VAL . 17115 1 167 . ALA . 17115 1 168 . GLY . 17115 1 169 . PHE . 17115 1 170 . LEU . 17115 1 171 . MET . 17115 1 172 . GLU . 17115 1 173 . LYS . 17115 1 174 . GLU . 17115 1 175 . LEU . 17115 1 176 . GLU . 17115 1 177 . VAL . 17115 1 178 . LEU . 17115 1 179 . GLY . 17115 1 180 . LYS . 17115 1 181 . ALA . 17115 1 182 . LEU . 17115 1 183 . SER . 17115 1 184 . ASN . 17115 1 185 . PRO . 17115 1 186 . ASP . 17115 1 187 . ARG . 17115 1 188 . PRO . 17115 1 189 . PHE . 17115 1 190 . THR . 17115 1 191 . ALA . 17115 1 192 . ILE . 17115 1 193 . ILE . 17115 1 194 . GLY . 17115 1 195 . GLY . 17115 1 196 . ALA . 17115 1 197 . LYS . 17115 1 198 . VAL . 17115 1 199 . LYS . 17115 1 200 . ASP . 17115 1 201 . LYS . 17115 1 202 . ILE . 17115 1 203 . GLY . 17115 1 204 . VAL . 17115 1 205 . ILE . 17115 1 206 . ASP . 17115 1 207 . ASN . 17115 1 208 . LEU . 17115 1 209 . LEU . 17115 1 210 . GLU . 17115 1 211 . LYS . 17115 1 212 . VAL . 17115 1 213 . ASP . 17115 1 214 . ASN . 17115 1 215 . LEU . 17115 1 216 . ILE . 17115 1 217 . ILE . 17115 1 218 . GLY . 17115 1 219 . GLY . 17115 1 220 . GLY . 17115 1 221 . LEU . 17115 1 222 . ALA . 17115 1 223 . TYR . 17115 1 224 . THR . 17115 1 225 . PHE . 17115 1 226 . VAL . 17115 1 227 . LYS . 17115 1 228 . ALA . 17115 1 229 . LEU . 17115 1 230 . GLY . 17115 1 231 . HIS . 17115 1 232 . ASP . 17115 1 233 . VAL . 17115 1 234 . GLY . 17115 1 235 . LYS . 17115 1 236 . SER . 17115 1 237 . LEU . 17115 1 238 . LEU . 17115 1 239 . GLU . 17115 1 240 . GLU . 17115 1 241 . ASP . 17115 1 242 . LYS . 17115 1 243 . ILE . 17115 1 244 . GLU . 17115 1 245 . LEU . 17115 1 246 . ALA . 17115 1 247 . LYS . 17115 1 248 . SER . 17115 1 249 . PHE . 17115 1 250 . MET . 17115 1 251 . GLU . 17115 1 252 . LYS . 17115 1 253 . ALA . 17115 1 254 . LYS . 17115 1 255 . GLU . 17115 1 256 . LYS . 17115 1 257 . GLY . 17115 1 258 . VAL . 17115 1 259 . ARG . 17115 1 260 . PHE . 17115 1 261 . TYR . 17115 1 262 . MET . 17115 1 263 . PRO . 17115 1 264 . VAL . 17115 1 265 . ASP . 17115 1 266 . VAL . 17115 1 267 . VAL . 17115 1 268 . VAL . 17115 1 269 . ALA . 17115 1 270 . ASP . 17115 1 271 . ARG . 17115 1 272 . PHE . 17115 1 273 . ALA . 17115 1 274 . ASN . 17115 1 275 . ASP . 17115 1 276 . ALA . 17115 1 277 . ASN . 17115 1 278 . THR . 17115 1 279 . LYS . 17115 1 280 . VAL . 17115 1 281 . VAL . 17115 1 282 . PRO . 17115 1 283 . ILE . 17115 1 284 . ASP . 17115 1 285 . ALA . 17115 1 286 . ILE . 17115 1 287 . PRO . 17115 1 288 . ALA . 17115 1 289 . ASP . 17115 1 290 . TYR . 17115 1 291 . SER . 17115 1 292 . ALA . 17115 1 293 . LEU . 17115 1 294 . ASP . 17115 1 295 . ILE . 17115 1 296 . GLY . 17115 1 297 . PRO . 17115 1 298 . LYS . 17115 1 299 . THR . 17115 1 300 . ARG . 17115 1 301 . GLU . 17115 1 302 . LEU . 17115 1 303 . TYR . 17115 1 304 . ARG . 17115 1 305 . ASP . 17115 1 306 . VAL . 17115 1 307 . ILE . 17115 1 308 . ARG . 17115 1 309 . GLU . 17115 1 310 . SER . 17115 1 311 . LYS . 17115 1 312 . LEU . 17115 1 313 . VAL . 17115 1 314 . VAL . 17115 1 315 . TRP . 17115 1 316 . ASN . 17115 1 317 . GLY . 17115 1 318 . PRO . 17115 1 319 . MET . 17115 1 320 . GLY . 17115 1 321 . VAL . 17115 1 322 . PHE . 17115 1 323 . GLU . 17115 1 324 . MET . 17115 1 325 . ASP . 17115 1 326 . ALA . 17115 1 327 . PHE . 17115 1 328 . ALA . 17115 1 329 . HIS . 17115 1 330 . GLY . 17115 1 331 . THR . 17115 1 332 . LYS . 17115 1 333 . ALA . 17115 1 334 . ILE . 17115 1 335 . ALA . 17115 1 336 . GLU . 17115 1 337 . ALA . 17115 1 338 . LEU . 17115 1 339 . ALA . 17115 1 340 . GLU . 17115 1 341 . ALA . 17115 1 342 . LEU . 17115 1 343 . ASP . 17115 1 344 . THR . 17115 1 345 . TYR . 17115 1 346 . SER . 17115 1 347 . VAL . 17115 1 348 . ILE . 17115 1 349 . GLY . 17115 1 350 . GLY . 17115 1 351 . GLY . 17115 1 352 . ASP . 17115 1 353 . SER . 17115 1 354 . ALA . 17115 1 355 . ALA . 17115 1 356 . ALA . 17115 1 357 . VAL . 17115 1 358 . GLU . 17115 1 359 . LYS . 17115 1 360 . PHE . 17115 1 361 . GLY . 17115 1 362 . LEU . 17115 1 363 . ALA . 17115 1 364 . ASP . 17115 1 365 . LYS . 17115 1 366 . MET . 17115 1 367 . ASP . 17115 1 368 . HIS . 17115 1 369 . ILE . 17115 1 370 . SER . 17115 1 371 . THR . 17115 1 372 . GLY . 17115 1 373 . GLY . 17115 1 374 . GLY . 17115 1 375 . ALA . 17115 1 376 . SER . 17115 1 377 . LEU . 17115 1 378 . GLU . 17115 1 379 . PHE . 17115 1 380 . MET . 17115 1 381 . GLU . 17115 1 382 . GLY . 17115 1 383 . LYS . 17115 1 384 . GLN . 17115 1 385 . LEU . 17115 1 386 . PRO . 17115 1 387 . GLY . 17115 1 388 . VAL . 17115 1 389 . VAL . 17115 1 390 . ALA . 17115 1 391 . LEU . 17115 1 392 . GLU . 17115 1 393 . ASP . 17115 1 394 . LYS . 17115 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 17115 1 . ASN 2 2 17115 1 . LYS 3 3 17115 1 . LYS 4 4 17115 1 . THR 5 5 17115 1 . ILE 6 6 17115 1 . ARG 7 7 17115 1 . ASP 8 8 17115 1 . VAL 9 9 17115 1 . ASP 10 10 17115 1 . VAL 11 11 17115 1 . ARG 12 12 17115 1 . GLY 13 13 17115 1 . LYS 14 14 17115 1 . ARG 15 15 17115 1 . VAL 16 16 17115 1 . PHE 17 17 17115 1 . CYS 18 18 17115 1 . ARG 19 19 17115 1 . VAL 20 20 17115 1 . ASP 21 21 17115 1 . PHE 22 22 17115 1 . ASN 23 23 17115 1 . VAL 24 24 17115 1 . PRO 25 25 17115 1 . MET 26 26 17115 1 . GLU 27 27 17115 1 . GLN 28 28 17115 1 . GLY 29 29 17115 1 . ALA 30 30 17115 1 . ILE 31 31 17115 1 . THR 32 32 17115 1 . ASP 33 33 17115 1 . ASP 34 34 17115 1 . THR 35 35 17115 1 . ARG 36 36 17115 1 . ILE 37 37 17115 1 . ARG 38 38 17115 1 . ALA 39 39 17115 1 . ALA 40 40 17115 1 . LEU 41 41 17115 1 . PRO 42 42 17115 1 . THR 43 43 17115 1 . ILE 44 44 17115 1 . ARG 45 45 17115 1 . TYR 46 46 17115 1 . LEU 47 47 17115 1 . ILE 48 48 17115 1 . GLU 49 49 17115 1 . HIS 50 50 17115 1 . GLY 51 51 17115 1 . ALA 52 52 17115 1 . LYS 53 53 17115 1 . VAL 54 54 17115 1 . ILE 55 55 17115 1 . LEU 56 56 17115 1 . ALA 57 57 17115 1 . SER 58 58 17115 1 . HIS 59 59 17115 1 . LEU 60 60 17115 1 . GLY 61 61 17115 1 . ARG 62 62 17115 1 . PRO 63 63 17115 1 . LYS 64 64 17115 1 . GLY 65 65 17115 1 . LYS 66 66 17115 1 . VAL 67 67 17115 1 . VAL 68 68 17115 1 . GLU 69 69 17115 1 . GLU 70 70 17115 1 . LEU 71 71 17115 1 . ARG 72 72 17115 1 . LEU 73 73 17115 1 . ASP 74 74 17115 1 . ALA 75 75 17115 1 . VAL 76 76 17115 1 . ALA 77 77 17115 1 . LYS 78 78 17115 1 . ARG 79 79 17115 1 . LEU 80 80 17115 1 . GLY 81 81 17115 1 . GLU 82 82 17115 1 . LEU 83 83 17115 1 . LEU 84 84 17115 1 . GLU 85 85 17115 1 . ARG 86 86 17115 1 . PRO 87 87 17115 1 . VAL 88 88 17115 1 . ALA 89 89 17115 1 . LYS 90 90 17115 1 . THR 91 91 17115 1 . ASN 92 92 17115 1 . GLU 93 93 17115 1 . ALA 94 94 17115 1 . VAL 95 95 17115 1 . GLY 96 96 17115 1 . ASP 97 97 17115 1 . GLU 98 98 17115 1 . VAL 99 99 17115 1 . LYS 100 100 17115 1 . ALA 101 101 17115 1 . ALA 102 102 17115 1 . VAL 103 103 17115 1 . ASP 104 104 17115 1 . ARG 105 105 17115 1 . LEU 106 106 17115 1 . ASN 107 107 17115 1 . GLU 108 108 17115 1 . GLY 109 109 17115 1 . ASP 110 110 17115 1 . VAL 111 111 17115 1 . LEU 112 112 17115 1 . LEU 113 113 17115 1 . LEU 114 114 17115 1 . GLU 115 115 17115 1 . ASN 116 116 17115 1 . VAL 117 117 17115 1 . ARG 118 118 17115 1 . PHE 119 119 17115 1 . TYR 120 120 17115 1 . PRO 121 121 17115 1 . GLY 122 122 17115 1 . GLU 123 123 17115 1 . GLU 124 124 17115 1 . LYS 125 125 17115 1 . ASN 126 126 17115 1 . ASP 127 127 17115 1 . PRO 128 128 17115 1 . GLU 129 129 17115 1 . LEU 130 130 17115 1 . ALA 131 131 17115 1 . LYS 132 132 17115 1 . ALA 133 133 17115 1 . PHE 134 134 17115 1 . ALA 135 135 17115 1 . GLU 136 136 17115 1 . LEU 137 137 17115 1 . ALA 138 138 17115 1 . ASP 139 139 17115 1 . LEU 140 140 17115 1 . TYR 141 141 17115 1 . VAL 142 142 17115 1 . ASN 143 143 17115 1 . ASP 144 144 17115 1 . ALA 145 145 17115 1 . PHE 146 146 17115 1 . GLY 147 147 17115 1 . ALA 148 148 17115 1 . ALA 149 149 17115 1 . HIS 150 150 17115 1 . ARG 151 151 17115 1 . ALA 152 152 17115 1 . HIS 153 153 17115 1 . ALA 154 154 17115 1 . SER 155 155 17115 1 . THR 156 156 17115 1 . GLU 157 157 17115 1 . GLY 158 158 17115 1 . ILE 159 159 17115 1 . ALA 160 160 17115 1 . HIS 161 161 17115 1 . TYR 162 162 17115 1 . LEU 163 163 17115 1 . PRO 164 164 17115 1 . ALA 165 165 17115 1 . VAL 166 166 17115 1 . ALA 167 167 17115 1 . GLY 168 168 17115 1 . PHE 169 169 17115 1 . LEU 170 170 17115 1 . MET 171 171 17115 1 . GLU 172 172 17115 1 . LYS 173 173 17115 1 . GLU 174 174 17115 1 . LEU 175 175 17115 1 . GLU 176 176 17115 1 . VAL 177 177 17115 1 . LEU 178 178 17115 1 . GLY 179 179 17115 1 . LYS 180 180 17115 1 . ALA 181 181 17115 1 . LEU 182 182 17115 1 . SER 183 183 17115 1 . ASN 184 184 17115 1 . PRO 185 185 17115 1 . ASP 186 186 17115 1 . ARG 187 187 17115 1 . PRO 188 188 17115 1 . PHE 189 189 17115 1 . THR 190 190 17115 1 . ALA 191 191 17115 1 . ILE 192 192 17115 1 . ILE 193 193 17115 1 . GLY 194 194 17115 1 . GLY 195 195 17115 1 . ALA 196 196 17115 1 . LYS 197 197 17115 1 . VAL 198 198 17115 1 . LYS 199 199 17115 1 . ASP 200 200 17115 1 . LYS 201 201 17115 1 . ILE 202 202 17115 1 . GLY 203 203 17115 1 . VAL 204 204 17115 1 . ILE 205 205 17115 1 . ASP 206 206 17115 1 . ASN 207 207 17115 1 . LEU 208 208 17115 1 . LEU 209 209 17115 1 . GLU 210 210 17115 1 . LYS 211 211 17115 1 . VAL 212 212 17115 1 . ASP 213 213 17115 1 . ASN 214 214 17115 1 . LEU 215 215 17115 1 . ILE 216 216 17115 1 . ILE 217 217 17115 1 . GLY 218 218 17115 1 . GLY 219 219 17115 1 . GLY 220 220 17115 1 . LEU 221 221 17115 1 . ALA 222 222 17115 1 . TYR 223 223 17115 1 . THR 224 224 17115 1 . PHE 225 225 17115 1 . VAL 226 226 17115 1 . LYS 227 227 17115 1 . ALA 228 228 17115 1 . LEU 229 229 17115 1 . GLY 230 230 17115 1 . HIS 231 231 17115 1 . ASP 232 232 17115 1 . VAL 233 233 17115 1 . GLY 234 234 17115 1 . LYS 235 235 17115 1 . SER 236 236 17115 1 . LEU 237 237 17115 1 . LEU 238 238 17115 1 . GLU 239 239 17115 1 . GLU 240 240 17115 1 . ASP 241 241 17115 1 . LYS 242 242 17115 1 . ILE 243 243 17115 1 . GLU 244 244 17115 1 . LEU 245 245 17115 1 . ALA 246 246 17115 1 . LYS 247 247 17115 1 . SER 248 248 17115 1 . PHE 249 249 17115 1 . MET 250 250 17115 1 . GLU 251 251 17115 1 . LYS 252 252 17115 1 . ALA 253 253 17115 1 . LYS 254 254 17115 1 . GLU 255 255 17115 1 . LYS 256 256 17115 1 . GLY 257 257 17115 1 . VAL 258 258 17115 1 . ARG 259 259 17115 1 . PHE 260 260 17115 1 . TYR 261 261 17115 1 . MET 262 262 17115 1 . PRO 263 263 17115 1 . VAL 264 264 17115 1 . ASP 265 265 17115 1 . VAL 266 266 17115 1 . VAL 267 267 17115 1 . VAL 268 268 17115 1 . ALA 269 269 17115 1 . ASP 270 270 17115 1 . ARG 271 271 17115 1 . PHE 272 272 17115 1 . ALA 273 273 17115 1 . ASN 274 274 17115 1 . ASP 275 275 17115 1 . ALA 276 276 17115 1 . ASN 277 277 17115 1 . THR 278 278 17115 1 . LYS 279 279 17115 1 . VAL 280 280 17115 1 . VAL 281 281 17115 1 . PRO 282 282 17115 1 . ILE 283 283 17115 1 . ASP 284 284 17115 1 . ALA 285 285 17115 1 . ILE 286 286 17115 1 . PRO 287 287 17115 1 . ALA 288 288 17115 1 . ASP 289 289 17115 1 . TYR 290 290 17115 1 . SER 291 291 17115 1 . ALA 292 292 17115 1 . LEU 293 293 17115 1 . ASP 294 294 17115 1 . ILE 295 295 17115 1 . GLY 296 296 17115 1 . PRO 297 297 17115 1 . LYS 298 298 17115 1 . THR 299 299 17115 1 . ARG 300 300 17115 1 . GLU 301 301 17115 1 . LEU 302 302 17115 1 . TYR 303 303 17115 1 . ARG 304 304 17115 1 . ASP 305 305 17115 1 . VAL 306 306 17115 1 . ILE 307 307 17115 1 . ARG 308 308 17115 1 . GLU 309 309 17115 1 . SER 310 310 17115 1 . LYS 311 311 17115 1 . LEU 312 312 17115 1 . VAL 313 313 17115 1 . VAL 314 314 17115 1 . TRP 315 315 17115 1 . ASN 316 316 17115 1 . GLY 317 317 17115 1 . PRO 318 318 17115 1 . MET 319 319 17115 1 . GLY 320 320 17115 1 . VAL 321 321 17115 1 . PHE 322 322 17115 1 . GLU 323 323 17115 1 . MET 324 324 17115 1 . ASP 325 325 17115 1 . ALA 326 326 17115 1 . PHE 327 327 17115 1 . ALA 328 328 17115 1 . HIS 329 329 17115 1 . GLY 330 330 17115 1 . THR 331 331 17115 1 . LYS 332 332 17115 1 . ALA 333 333 17115 1 . ILE 334 334 17115 1 . ALA 335 335 17115 1 . GLU 336 336 17115 1 . ALA 337 337 17115 1 . LEU 338 338 17115 1 . ALA 339 339 17115 1 . GLU 340 340 17115 1 . ALA 341 341 17115 1 . LEU 342 342 17115 1 . ASP 343 343 17115 1 . THR 344 344 17115 1 . TYR 345 345 17115 1 . SER 346 346 17115 1 . VAL 347 347 17115 1 . ILE 348 348 17115 1 . GLY 349 349 17115 1 . GLY 350 350 17115 1 . GLY 351 351 17115 1 . ASP 352 352 17115 1 . SER 353 353 17115 1 . ALA 354 354 17115 1 . ALA 355 355 17115 1 . ALA 356 356 17115 1 . VAL 357 357 17115 1 . GLU 358 358 17115 1 . LYS 359 359 17115 1 . PHE 360 360 17115 1 . GLY 361 361 17115 1 . LEU 362 362 17115 1 . ALA 363 363 17115 1 . ASP 364 364 17115 1 . LYS 365 365 17115 1 . MET 366 366 17115 1 . ASP 367 367 17115 1 . HIS 368 368 17115 1 . ILE 369 369 17115 1 . SER 370 370 17115 1 . THR 371 371 17115 1 . GLY 372 372 17115 1 . GLY 373 373 17115 1 . GLY 374 374 17115 1 . ALA 375 375 17115 1 . SER 376 376 17115 1 . LEU 377 377 17115 1 . GLU 378 378 17115 1 . PHE 379 379 17115 1 . MET 380 380 17115 1 . GLU 381 381 17115 1 . GLY 382 382 17115 1 . LYS 383 383 17115 1 . GLN 384 384 17115 1 . LEU 385 385 17115 1 . PRO 386 386 17115 1 . GLY 387 387 17115 1 . VAL 388 388 17115 1 . VAL 389 389 17115 1 . ALA 390 390 17115 1 . LEU 391 391 17115 1 . GLU 392 392 17115 1 . ASP 393 393 17115 1 . LYS 394 394 17115 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 17115 _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 $PGK . 1422 organism . 'Geobacillus stearothermophilus' 'Geobacillus stearothermophilus' . . Bacteria . Geobacillus stearothermophilus . . . . . . . . . . . . . . . . . . . . . 17115 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 17115 _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 $PGK . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pKK223-3 . . . . . . 17115 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17115 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PGK [U-2H,U-15N] . . 1 $PGK . . 0.1 . . mg/ml . . . . 17115 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17115 1 3 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 17115 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17115 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17115 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 17115 _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 7.50 . pH 17115 1 pressure ambient . atm 17115 1 temperature 310 . K 17115 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 17115 _Software.ID 1 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 17115 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak height extraction' 17115 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 17115 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 17115 _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 DRX . 800 . . . 17115 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 17115 _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 '1H-15N TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17115 1 stop_ save_ save_Chemical_rate_list _Chemical_rate_list.Sf_category chemical_rates _Chemical_rate_list.Sf_framecode Chemical_rate_list _Chemical_rate_list.Entry_ID 17115 _Chemical_rate_list.ID 1 _Chemical_rate_list.Sample_condition_list_ID 1 _Chemical_rate_list.Sample_condition_list_label $sample_conditions_1 _Chemical_rate_list.Details . _Chemical_rate_list.Text_data_format . _Chemical_rate_list.Text_data . loop_ _Chemical_rate_experiment.Experiment_ID _Chemical_rate_experiment.Experiment_name _Chemical_rate_experiment.Sample_ID _Chemical_rate_experiment.Sample_label _Chemical_rate_experiment.Sample_state _Chemical_rate_experiment.Entry_ID _Chemical_rate_experiment.Chemical_rate_list_ID 1 '1H-15N TROSY' 1 $sample_1 isotropic 17115 1 stop_ loop_ _Chemical_rate_software.Software_ID _Chemical_rate_software.Software_label _Chemical_rate_software.Method_ID _Chemical_rate_software.Method_label _Chemical_rate_software.Entry_ID _Chemical_rate_software.Chemical_rate_list_ID 1 $Felix . . 17115 1 stop_ loop_ _Chemical_rate.ID _Chemical_rate.Assembly_ID _Chemical_rate.Assembly_atom_ID _Chemical_rate.Entity_assembly_ID _Chemical_rate.Entity_ID _Chemical_rate.Comp_index_ID _Chemical_rate.Seq_ID _Chemical_rate.Comp_ID _Chemical_rate.Atom_ID _Chemical_rate.Atom_type _Chemical_rate.Atom_isotope_number _Chemical_rate.Val_type _Chemical_rate.Val _Chemical_rate.Val_min _Chemical_rate.Val_max _Chemical_rate.Val_err _Chemical_rate.Val_units _Chemical_rate.Resonance_ID _Chemical_rate.Auth_entity_assembly_ID _Chemical_rate.Auth_seq_ID _Chemical_rate.Auth_comp_ID _Chemical_rate.Auth_atom_ID _Chemical_rate.Entry_ID _Chemical_rate.Chemical_rate_list_ID 1 1 . 1 1 6 6 ILE . . . kobs 56 . . . s-1 . . . . . 17115 1 2 1 . 1 1 9 9 VAL . . . kobs 160 . . . s-1 . . . . . 17115 1 3 1 . 1 1 15 15 ARG . . . kobs 72 . . . s-1 . . . . . 17115 1 4 1 . 1 1 24 24 VAL . . . kobs 190 . . . s-1 . . . . . 17115 1 5 1 . 1 1 38 38 ARG . . . kobs 34 . . . s-1 . . . . . 17115 1 6 1 . 1 1 39 39 ALA . . . kobs 250 . . . s-1 . . . . . 17115 1 7 1 . 1 1 40 40 ALA . . . kobs 13 . . . s-1 . . . . . 17115 1 8 1 . 1 1 49 49 GLU . . . kobs 15 . . . s-1 . . . . . 17115 1 9 1 . 1 1 50 50 HIS . . . kobs 34 . . . s-1 . . . . . 17115 1 10 1 . 1 1 60 60 LEU . . . kobs 22 . . . s-1 . . . . . 17115 1 11 1 . 1 1 72 72 ARG . . . kobs 60 . . . s-1 . . . . . 17115 1 12 1 . 1 1 77 77 ALA . . . kobs 8.1 . . . s-1 . . . . . 17115 1 13 1 . 1 1 81 81 GLY . . . kobs 150 . . . s-1 . . . . . 17115 1 14 1 . 1 1 83 83 LEU . . . kobs 8.3 . . . s-1 . . . . . 17115 1 15 1 . 1 1 102 102 ALA . . . kobs 200 . . . s-1 . . . . . 17115 1 16 1 . 1 1 103 103 VAL . . . kobs 3.4 . . . s-1 . . . . . 17115 1 17 1 . 1 1 104 104 ASP . . . kobs 190 . . . s-1 . . . . . 17115 1 18 1 . 1 1 115 115 GLU . . . kobs 3.6 . . . s-1 . . . . . 17115 1 19 1 . 1 1 116 116 ASN . . . kobs 1.6 . . . s-1 . . . . . 17115 1 20 1 . 1 1 117 117 VAL . . . kobs 2.3 . . . s-1 . . . . . 17115 1 21 1 . 1 1 118 118 ARG . . . kobs 2.3 . . . s-1 . . . . . 17115 1 22 1 . 1 1 119 119 PHE . . . kobs 2.5 . . . s-1 . . . . . 17115 1 23 1 . 1 1 123 123 GLU . . . kobs 160 . . . s-1 . . . . . 17115 1 24 1 . 1 1 127 127 ASP . . . kobs 39 . . . s-1 . . . . . 17115 1 25 1 . 1 1 133 133 ALA . . . kobs 8.9 . . . s-1 . . . . . 17115 1 26 1 . 1 1 134 134 PHE . . . kobs 0.64 . . . s-1 . . . . . 17115 1 27 1 . 1 1 135 135 ALA . . . kobs 2.3 . . . s-1 . . . . . 17115 1 28 1 . 1 1 136 136 GLU . . . kobs 11 . . . s-1 . . . . . 17115 1 29 1 . 1 1 139 139 ASP . . . kobs 4.7 . . . s-1 . . . . . 17115 1 30 1 . 1 1 141 141 TYR . . . kobs 1.1 . . . s-1 . . . . . 17115 1 31 1 . 1 1 145 145 ALA . . . kobs 2.2 . . . s-1 . . . . . 17115 1 32 1 . 1 1 149 149 ALA . . . kobs 150 . . . s-1 . . . . . 17115 1 33 1 . 1 1 153 153 HIS . . . kobs 30 . . . s-1 . . . . . 17115 1 34 1 . 1 1 154 154 ALA . . . kobs 7.9 . . . s-1 . . . . . 17115 1 35 1 . 1 1 155 155 SER . . . kobs 3.2 . . . s-1 . . . . . 17115 1 36 1 . 1 1 157 157 GLU . . . kobs 15 . . . s-1 . . . . . 17115 1 37 1 . 1 1 158 158 GLY . . . kobs 9.8 . . . s-1 . . . . . 17115 1 38 1 . 1 1 160 160 ALA . . . kobs 2.8 . . . s-1 . . . . . 17115 1 39 1 . 1 1 163 163 LEU . . . kobs 17 . . . s-1 . . . . . 17115 1 40 1 . 1 1 166 166 VAL . . . kobs 1.9 . . . s-1 . . . . . 17115 1 41 1 . 1 1 167 167 ALA . . . kobs 2.6 . . . s-1 . . . . . 17115 1 42 1 . 1 1 168 168 GLY . . . kobs 5.7 . . . s-1 . . . . . 17115 1 43 1 . 1 1 169 169 PHE . . . kobs 30 . . . s-1 . . . . . 17115 1 44 1 . 1 1 172 172 GLU . . . kobs 5.5 . . . s-1 . . . . . 17115 1 45 1 . 1 1 173 173 LYS . . . kobs 47 . . . s-1 . . . . . 17115 1 46 1 . 1 1 174 174 GLU . . . kobs 17 . . . s-1 . . . . . 17115 1 47 1 . 1 1 6 6 ILE . . . ki 44 . . . s-1 . . . . . 17115 1 48 1 . 1 1 9 9 VAL . . . ki 20 . . . s-1 . . . . . 17115 1 49 1 . 1 1 15 15 ARG . . . ki 240 . . . s-1 . . . . . 17115 1 50 1 . 1 1 24 24 VAL . . . ki 62 . . . s-1 . . . . . 17115 1 51 1 . 1 1 38 38 ARG . . . ki 110 . . . s-1 . . . . . 17115 1 52 1 . 1 1 39 39 ALA . . . ki 250 . . . s-1 . . . . . 17115 1 53 1 . 1 1 40 40 ALA . . . ki 150 . . . s-1 . . . . . 17115 1 54 1 . 1 1 49 49 GLU . . . ki 27 . . . s-1 . . . . . 17115 1 55 1 . 1 1 50 50 HIS . . . ki 110 . . . s-1 . . . . . 17115 1 56 1 . 1 1 60 60 LEU . . . ki 69 . . . s-1 . . . . . 17115 1 57 1 . 1 1 72 72 ARG . . . ki 110 . . . s-1 . . . . . 17115 1 58 1 . 1 1 77 77 ALA . . . ki 110 . . . s-1 . . . . . 17115 1 59 1 . 1 1 81 81 GLY . . . ki 170 . . . s-1 . . . . . 17115 1 60 1 . 1 1 83 83 LEU . . . ki 28 . . . s-1 . . . . . 17115 1 61 1 . 1 1 102 102 ALA . . . ki 150 . . . s-1 . . . . . 17115 1 62 1 . 1 1 103 103 VAL . . . ki 30 . . . s-1 . . . . . 17115 1 63 1 . 1 1 104 104 ASP . . . ki 54 . . . s-1 . . . . . 17115 1 64 1 . 1 1 115 115 GLU . . . ki 28 . . . s-1 . . . . . 17115 1 65 1 . 1 1 116 116 ASN . . . ki 330 . . . s-1 . . . . . 17115 1 66 1 . 1 1 117 117 VAL . . . ki 62 . . . s-1 . . . . . 17115 1 67 1 . 1 1 118 118 ARG . . . ki 130 . . . s-1 . . . . . 17115 1 68 1 . 1 1 119 119 PHE . . . ki 140 . . . s-1 . . . . . 17115 1 69 1 . 1 1 123 123 GLU . . . ki 68 . . . s-1 . . . . . 17115 1 70 1 . 1 1 127 127 ASP . . . ki 160 . . . s-1 . . . . . 17115 1 71 1 . 1 1 133 133 ALA . . . ki 200 . . . s-1 . . . . . 17115 1 72 1 . 1 1 134 134 PHE . . . ki 86 . . . s-1 . . . . . 17115 1 73 1 . 1 1 135 135 ALA . . . ki 170 . . . s-1 . . . . . 17115 1 74 1 . 1 1 136 136 GLU . . . ki 46 . . . s-1 . . . . . 17115 1 75 1 . 1 1 139 139 ASP . . . ki 75 . . . s-1 . . . . . 17115 1 76 1 . 1 1 141 141 TYR . . . ki 49 . . . s-1 . . . . . 17115 1 77 1 . 1 1 145 145 ALA . . . ki 98 . . . s-1 . . . . . 17115 1 78 1 . 1 1 149 149 ALA . . . ki 150 . . . s-1 . . . . . 17115 1 79 1 . 1 1 153 153 HIS . . . ki 160 . . . s-1 . . . . . 17115 1 80 1 . 1 1 154 154 ALA . . . ki 260 . . . s-1 . . . . . 17115 1 81 1 . 1 1 155 155 SER . . . ki 350 . . . s-1 . . . . . 17115 1 82 1 . 1 1 157 157 GLU . . . ki 73 . . . s-1 . . . . . 17115 1 83 1 . 1 1 158 158 GLY . . . ki 200 . . . s-1 . . . . . 17115 1 84 1 . 1 1 160 160 ALA . . . ki 88 . . . s-1 . . . . . 17115 1 85 1 . 1 1 163 163 LEU . . . ki 44 . . . s-1 . . . . . 17115 1 86 1 . 1 1 166 166 VAL . . . ki 30 . . . s-1 . . . . . 17115 1 87 1 . 1 1 167 167 ALA . . . ki 110 . . . s-1 . . . . . 17115 1 88 1 . 1 1 168 168 GLY . . . ki 280 . . . s-1 . . . . . 17115 1 89 1 . 1 1 169 169 PHE . . . ki 130 . . . s-1 . . . . . 17115 1 90 1 . 1 1 172 172 GLU . . . ki 59 . . . s-1 . . . . . 17115 1 91 1 . 1 1 173 173 LYS . . . ki 96 . . . s-1 . . . . . 17115 1 92 1 . 1 1 174 174 GLU . . . ki 61 . . . s-1 . . . . . 17115 1 93 1 . 1 1 6 6 ILE . . . logPF 5.9 . . . s-1 . . . . . 17115 1 94 1 . 1 1 9 9 VAL . . . logPF 5.1 . . . s-1 . . . . . 17115 1 95 1 . 1 1 15 15 ARG . . . logPF 6.5 . . . s-1 . . . . . 17115 1 96 1 . 1 1 24 24 VAL . . . logPF 5.5 . . . s-1 . . . . . 17115 1 97 1 . 1 1 38 38 ARG . . . logPF 6.5 . . . s-1 . . . . . 17115 1 98 1 . 1 1 39 39 ALA . . . logPF 6.0 . . . s-1 . . . . . 17115 1 99 1 . 1 1 40 40 ALA . . . logPF 7.1 . . . s-1 . . . . . 17115 1 100 1 . 1 1 49 49 GLU . . . logPF 6.3 . . . s-1 . . . . . 17115 1 101 1 . 1 1 50 50 HIS . . . logPF 6.5 . . . s-1 . . . . . 17115 1 102 1 . 1 1 60 60 LEU . . . logPF 6.5 . . . s-1 . . . . . 17115 1 103 1 . 1 1 72 72 ARG . . . logPF 6.3 . . . s-1 . . . . . 17115 1 104 1 . 1 1 77 77 ALA . . . logPF 7.1 . . . s-1 . . . . . 17115 1 105 1 . 1 1 81 81 GLY . . . logPF 6.1 . . . s-1 . . . . . 17115 1 106 1 . 1 1 83 83 LEU . . . logPF 6.5 . . . s-1 . . . . . 17115 1 107 1 . 1 1 102 102 ALA . . . logPF 5.9 . . . s-1 . . . . . 17115 1 108 1 . 1 1 103 103 VAL . . . logPF 6.9 . . . s-1 . . . . . 17115 1 109 1 . 1 1 104 104 ASP . . . logPF 5.5 . . . s-1 . . . . . 17115 1 110 1 . 1 1 115 115 GLU . . . logPF 6.9 . . . s-1 . . . . . 17115 1 111 1 . 1 1 116 116 ASN . . . logPF 8.3 . . . s-1 . . . . . 17115 1 112 1 . 1 1 117 117 VAL . . . logPF 7.4 . . . s-1 . . . . . 17115 1 113 1 . 1 1 118 118 ARG . . . logPF 7.8 . . . s-1 . . . . . 17115 1 114 1 . 1 1 119 119 PHE . . . logPF 7.8 . . . s-1 . . . . . 17115 1 115 1 . 1 1 123 123 GLU . . . logPF 5.6 . . . s-1 . . . . . 17115 1 116 1 . 1 1 127 127 ASP . . . logPF 6.6 . . . s-1 . . . . . 17115 1 117 1 . 1 1 133 133 ALA . . . logPF 7.3 . . . s-1 . . . . . 17115 1 118 1 . 1 1 134 134 PHE . . . logPF 8.1 . . . s-1 . . . . . 17115 1 119 1 . 1 1 135 135 ALA . . . logPF 7.9 . . . s-1 . . . . . 17115 1 120 1 . 1 1 136 136 GLU . . . logPF 6.6 . . . s-1 . . . . . 17115 1 121 1 . 1 1 139 139 ASP . . . logPF 7.2 . . . s-1 . . . . . 17115 1 122 1 . 1 1 141 141 TYR . . . logPF 7.6 . . . s-1 . . . . . 17115 1 123 1 . 1 1 145 145 ALA . . . logPF 7.6 . . . s-1 . . . . . 17115 1 124 1 . 1 1 149 149 ALA . . . logPF 6.0 . . . s-1 . . . . . 17115 1 125 1 . 1 1 153 153 HIS . . . logPF 6.7 . . . s-1 . . . . . 17115 1 126 1 . 1 1 154 154 ALA . . . logPF 7.5 . . . s-1 . . . . . 17115 1 127 1 . 1 1 155 155 SER . . . logPF 8.0 . . . s-1 . . . . . 17115 1 128 1 . 1 1 157 157 GLU . . . logPF 6.7 . . . s-1 . . . . . 17115 1 129 1 . 1 1 158 158 GLY . . . logPF 7.3 . . . s-1 . . . . . 17115 1 130 1 . 1 1 160 160 ALA . . . logPF 7.5 . . . s-1 . . . . . 17115 1 131 1 . 1 1 163 163 LEU . . . logPF 6.4 . . . s-1 . . . . . 17115 1 132 1 . 1 1 166 166 VAL . . . logPF 7.2 . . . s-1 . . . . . 17115 1 133 1 . 1 1 167 167 ALA . . . logPF 7.6 . . . s-1 . . . . . 17115 1 134 1 . 1 1 168 168 GLY . . . logPF 7.7 . . . s-1 . . . . . 17115 1 135 1 . 1 1 169 169 PHE . . . logPF 6.6 . . . s-1 . . . . . 17115 1 136 1 . 1 1 172 172 GLU . . . logPF 7.0 . . . s-1 . . . . . 17115 1 137 1 . 1 1 173 173 LYS . . . logPF 6.3 . . . s-1 . . . . . 17115 1 138 1 . 1 1 174 174 GLU . . . logPF 6.6 . . . s-1 . . . . . 17115 1 139 1 . 1 1 6 6 ILE . . . logPFI 3.0 . . . s-1 . . . . . 17115 1 140 1 . 1 1 9 9 VAL . . . logPFI 2.1 . . . s-1 . . . . . 17115 1 141 1 . 1 1 15 15 ARG . . . logPFI 3.6 . . . s-1 . . . . . 17115 1 142 1 . 1 1 24 24 VAL . . . logPFI 2.5 . . . s-1 . . . . . 17115 1 143 1 . 1 1 38 38 ARG . . . logPFI 3.6 . . . s-1 . . . . . 17115 1 144 1 . 1 1 39 39 ALA . . . logPFI 3.0 . . . s-1 . . . . . 17115 1 145 1 . 1 1 40 40 ALA . . . logPFI 4.1 . . . s-1 . . . . . 17115 1 146 1 . 1 1 49 49 GLU . . . logPFI 3.3 . . . s-1 . . . . . 17115 1 147 1 . 1 1 50 50 HIS . . . logPFI 3.6 . . . s-1 . . . . . 17115 1 148 1 . 1 1 60 60 LEU . . . logPFI 3.6 . . . s-1 . . . . . 17115 1 149 1 . 1 1 72 72 ARG . . . logPFI 3.3 . . . s-1 . . . . . 17115 1 150 1 . 1 1 77 77 ALA . . . logPFI 4.2 . . . s-1 . . . . . 17115 1 151 1 . 1 1 81 81 GLY . . . logPFI 3.1 . . . s-1 . . . . . 17115 1 152 1 . 1 1 83 83 LEU . . . logPFI 3.6 . . . s-1 . . . . . 17115 1 153 1 . 1 1 102 102 ALA . . . logPFI 2.9 . . . s-1 . . . . . 17115 1 154 1 . 1 1 103 103 VAL . . . logPFI 4.0 . . . s-1 . . . . . 17115 1 155 1 . 1 1 104 104 ASP . . . logPFI 2.5 . . . s-1 . . . . . 17115 1 156 1 . 1 1 115 115 GLU . . . logPFI 4.0 . . . s-1 . . . . . 17115 1 157 1 . 1 1 116 116 ASN . . . logPFI 5.4 . . . s-1 . . . . . 17115 1 158 1 . 1 1 117 117 VAL . . . logPFI 4.5 . . . s-1 . . . . . 17115 1 159 1 . 1 1 118 118 ARG . . . logPFI 4.8 . . . s-1 . . . . . 17115 1 160 1 . 1 1 119 119 PHE . . . logPFI 4.8 . . . s-1 . . . . . 17115 1 161 1 . 1 1 123 123 GLU . . . logPFI 2.6 . . . s-1 . . . . . 17115 1 162 1 . 1 1 127 127 ASP . . . logPFI 3.7 . . . s-1 . . . . . 17115 1 163 1 . 1 1 133 133 ALA . . . logPFI 4.4 . . . s-1 . . . . . 17115 1 164 1 . 1 1 134 134 PHE . . . logPFI 5.2 . . . s-1 . . . . . 17115 1 165 1 . 1 1 135 135 ALA . . . logPFI 4.9 . . . s-1 . . . . . 17115 1 166 1 . 1 1 136 136 GLU . . . logPFI 3.7 . . . s-1 . . . . . 17115 1 167 1 . 1 1 139 139 ASP . . . logPFI 4.3 . . . s-1 . . . . . 17115 1 168 1 . 1 1 141 141 TYR . . . logPFI 4.7 . . . s-1 . . . . . 17115 1 169 1 . 1 1 145 145 ALA . . . logPFI 4.7 . . . s-1 . . . . . 17115 1 170 1 . 1 1 149 149 ALA . . . logPFI 3.0 . . . s-1 . . . . . 17115 1 171 1 . 1 1 153 153 HIS . . . logPFI 3.8 . . . s-1 . . . . . 17115 1 172 1 . 1 1 154 154 ALA . . . logPFI 4.6 . . . s-1 . . . . . 17115 1 173 1 . 1 1 155 155 SER . . . logPFI 5.1 . . . s-1 . . . . . 17115 1 174 1 . 1 1 157 157 GLU . . . logPFI 3.7 . . . s-1 . . . . . 17115 1 175 1 . 1 1 158 158 GLY . . . logPFI 4.4 . . . s-1 . . . . . 17115 1 176 1 . 1 1 160 160 ALA . . . logPFI 4.6 . . . s-1 . . . . . 17115 1 177 1 . 1 1 163 163 LEU . . . logPFI 3.5 . . . s-1 . . . . . 17115 1 178 1 . 1 1 166 166 VAL . . . logPFI 4.3 . . . s-1 . . . . . 17115 1 179 1 . 1 1 167 167 ALA . . . logPFI 4.7 . . . s-1 . . . . . 17115 1 180 1 . 1 1 168 168 GLY . . . logPFI 4.8 . . . s-1 . . . . . 17115 1 181 1 . 1 1 169 169 PHE . . . logPFI 3.7 . . . s-1 . . . . . 17115 1 182 1 . 1 1 172 172 GLU . . . logPFI 4.1 . . . s-1 . . . . . 17115 1 183 1 . 1 1 173 173 LYS . . . logPFI 3.4 . . . s-1 . . . . . 17115 1 184 1 . 1 1 174 174 GLU . . . logPFI 3.6 . . . s-1 . . . . . 17115 1 stop_ save_