data_17054 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17054 _Entry.Title ; Determination of the modified 'affinity index' of small ligands and macromolecular receptors from NMR spin-lattice relaxation data ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-13 _Entry.Accession_date 2010-07-13 _Entry.Last_release_date 2010-09-08 _Entry.Original_release_date 2010-09-08 _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 Silvia Martini . . . 17054 2 Claudia Bonechi . . . 17054 3 Gianfranco Corbini . . . 17054 4 Claudio Rossi . . . 17054 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID binding_constants 1 17054 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'binding constants' 1 17054 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 . . 2010-09-08 2010-07-13 original author . 17054 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17054 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title "Determination of the modified 'affinity index' of small ligands and macromolecular receptors from NMR spin-lattice relaxation data" _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'CHEM PHYS LETT' _Citation.Journal_name_full . _Citation.Journal_volume 447 _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 147 _Citation.Page_last 153 _Citation.Year 2007 _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 Silvia Martini . . . 17054 1 2 Claudia Bonechi . . . 17054 1 3 Gianfranco Corbini . . . 17054 1 4 Claudio Rossi . . . 17054 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17054 _Assembly.ID 1 _Assembly.Name 'BSA/SXX complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 BSA 1 $BSA A . yes native no no . . . 17054 1 2 SXX 2 $SXX A . yes native no no . . . 17054 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BSA _Entity.Sf_category entity _Entity.Sf_framecode BSA _Entity.Entry_ID 17054 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BSA _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 ; MKWVTFISLLLLFSSAYSRG VFRRDTHKSEIAHRFKDLGE EHFKGLVLIAFSQYLQQCPF DEHVKLVNELTEFAKTCVAD ESHAGCEKSLHTLFGDELCK VASLRETYGDMADCCEKQEP ERNECFLSHKDDSPDLPKLK PDPNTLCDEFKADEKKFWGK YLYEIARRHPYFYAPELLYY ANKYNGVFQECCQAEDKGAC LLPKIETMREKVLTSSARQR LRCASIQKFGERALKAWSVA RLSQKFPKAEFVEVTKLVTD LTKVHKECCHGDLLECADDR ADLAKYICDNQDTISSKLKE CCDKPLLEKSHCIAEVEKDA IPENLPPLTADFAEDKDVCK NYQEAKDAFLGSFLYEYSRR HPEYAVSVLLRLAKEYEATL EECCAKDDPHACYSTVFDKL KHLVDEPQNLIKQNCDQFEK LGEYGFQNALIVRYTRKVPQ VSTPTLVEVSRSLGKVGTRC CTKPESERMPCTEDYLSLIL NRLCVLHEKTPVSEKVTKCC TESLVNRRPCFSALTPDETY VPKAFDEKLFTFHADICTLP DTEKQIKKQTALVELLKHKP KATEEQLKTVMENFVAFVDK CCAADDKEACFAVEGPKLVV STQTALA ; _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 SXX _Entity.Nonpolymer_comp_label $chem_comp_SXX _Entity.Number_of_monomers 607 _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 . _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 PDB 3V03 . "Crystal Structure Of Bovine Serum Albumin" . . . . . 96.05 583 100.00 100.00 0.00e+00 . . . . 17054 1 2 no PDB 4F5S . "Crystal Structure Of Bovine Serum Albumin" . . . . . 96.05 583 100.00 100.00 0.00e+00 . . . . 17054 1 3 no PDB 4JK4 . "Crystal Structure Of Bovine Serum Albumin In Complex With 3,5- Diiodosalicylic Acid" . . . . . 96.05 583 100.00 100.00 0.00e+00 . . . . 17054 1 4 no PDB 4OR0 . "Crystal Structure Of Bovine Serum Albumin In Complex With Naproxen" . . . . . 96.05 583 100.00 100.00 0.00e+00 . . . . 17054 1 5 no EMBL CAA41735 . "serum albumin [Bos taurus]" . . . . . 100.00 607 100.00 100.00 0.00e+00 . . . . 17054 1 6 no EMBL CAA76847 . "bovine serum albumin [Bos taurus]" . . . . . 100.00 607 100.00 100.00 0.00e+00 . . . . 17054 1 7 no GB AAA51411 . "albumin [Bos taurus]" . . . . . 100.00 607 99.84 99.84 0.00e+00 . . . . 17054 1 8 no GB AAI02743 . "ALB protein [Bos taurus]" . . . . . 100.00 607 99.34 99.34 0.00e+00 . . . . 17054 1 9 no GB AAI42273 . "ALB protein [Bos taurus]" . . . . . 100.00 607 100.00 100.00 0.00e+00 . . . . 17054 1 10 no GB AAI51547 . "ALB protein [Bos taurus]" . . . . . 100.00 607 99.01 99.01 0.00e+00 . . . . 17054 1 11 no GB AAN17824 . "serum albumin [Bos taurus]" . . . . . 100.00 607 100.00 100.00 0.00e+00 . . . . 17054 1 12 no REF NP_851335 . "serum albumin precursor [Bos taurus]" . . . . . 100.00 607 100.00 100.00 0.00e+00 . . . . 17054 1 13 no REF XP_005891305 . "PREDICTED: serum albumin [Bos mutus]" . . . . . 100.00 607 99.67 99.84 0.00e+00 . . . . 17054 1 14 no REF XP_010836494 . "PREDICTED: serum albumin [Bison bison bison]" . . . . . 100.00 607 99.67 100.00 0.00e+00 . . . . 17054 1 15 no SP P02769 . "RecName: Full=Serum albumin; AltName: Full=BSA; AltName: Allergen=Bos d 6; Flags: Precursor" . . . . . 100.00 607 99.84 99.84 0.00e+00 . . . . 17054 1 16 no TPG DAA28523 . "TPA: serum albumin precursor [Bos taurus]" . . . . . 100.00 607 100.00 100.00 0.00e+00 . . . . 17054 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 . 17054 1 2 . LYS . 17054 1 3 . TRP . 17054 1 4 . VAL . 17054 1 5 . THR . 17054 1 6 . PHE . 17054 1 7 . ILE . 17054 1 8 . SER . 17054 1 9 . LEU . 17054 1 10 . LEU . 17054 1 11 . LEU . 17054 1 12 . LEU . 17054 1 13 . PHE . 17054 1 14 . SER . 17054 1 15 . SER . 17054 1 16 . ALA . 17054 1 17 . TYR . 17054 1 18 . SER . 17054 1 19 . ARG . 17054 1 20 . GLY . 17054 1 21 . VAL . 17054 1 22 . PHE . 17054 1 23 . ARG . 17054 1 24 . ARG . 17054 1 25 . ASP . 17054 1 26 . THR . 17054 1 27 . HIS . 17054 1 28 . LYS . 17054 1 29 . SER . 17054 1 30 . GLU . 17054 1 31 . ILE . 17054 1 32 . ALA . 17054 1 33 . HIS . 17054 1 34 . ARG . 17054 1 35 . PHE . 17054 1 36 . LYS . 17054 1 37 . ASP . 17054 1 38 . LEU . 17054 1 39 . GLY . 17054 1 40 . GLU . 17054 1 41 . GLU . 17054 1 42 . HIS . 17054 1 43 . PHE . 17054 1 44 . LYS . 17054 1 45 . GLY . 17054 1 46 . LEU . 17054 1 47 . VAL . 17054 1 48 . LEU . 17054 1 49 . ILE . 17054 1 50 . ALA . 17054 1 51 . PHE . 17054 1 52 . SER . 17054 1 53 . GLN . 17054 1 54 . TYR . 17054 1 55 . LEU . 17054 1 56 . GLN . 17054 1 57 . GLN . 17054 1 58 . CYS . 17054 1 59 . PRO . 17054 1 60 . PHE . 17054 1 61 . ASP . 17054 1 62 . GLU . 17054 1 63 . HIS . 17054 1 64 . VAL . 17054 1 65 . LYS . 17054 1 66 . LEU . 17054 1 67 . VAL . 17054 1 68 . ASN . 17054 1 69 . GLU . 17054 1 70 . LEU . 17054 1 71 . THR . 17054 1 72 . GLU . 17054 1 73 . PHE . 17054 1 74 . ALA . 17054 1 75 . LYS . 17054 1 76 . THR . 17054 1 77 . CYS . 17054 1 78 . VAL . 17054 1 79 . ALA . 17054 1 80 . ASP . 17054 1 81 . GLU . 17054 1 82 . SER . 17054 1 83 . HIS . 17054 1 84 . ALA . 17054 1 85 . GLY . 17054 1 86 . CYS . 17054 1 87 . GLU . 17054 1 88 . LYS . 17054 1 89 . SER . 17054 1 90 . LEU . 17054 1 91 . HIS . 17054 1 92 . THR . 17054 1 93 . LEU . 17054 1 94 . PHE . 17054 1 95 . GLY . 17054 1 96 . ASP . 17054 1 97 . GLU . 17054 1 98 . LEU . 17054 1 99 . CYS . 17054 1 100 . LYS . 17054 1 101 . VAL . 17054 1 102 . ALA . 17054 1 103 . SER . 17054 1 104 . LEU . 17054 1 105 . ARG . 17054 1 106 . GLU . 17054 1 107 . THR . 17054 1 108 . TYR . 17054 1 109 . GLY . 17054 1 110 . ASP . 17054 1 111 . MET . 17054 1 112 . ALA . 17054 1 113 . ASP . 17054 1 114 . CYS . 17054 1 115 . CYS . 17054 1 116 . GLU . 17054 1 117 . LYS . 17054 1 118 . GLN . 17054 1 119 . GLU . 17054 1 120 . PRO . 17054 1 121 . GLU . 17054 1 122 . ARG . 17054 1 123 . ASN . 17054 1 124 . GLU . 17054 1 125 . CYS . 17054 1 126 . PHE . 17054 1 127 . LEU . 17054 1 128 . SER . 17054 1 129 . HIS . 17054 1 130 . LYS . 17054 1 131 . ASP . 17054 1 132 . ASP . 17054 1 133 . SER . 17054 1 134 . PRO . 17054 1 135 . ASP . 17054 1 136 . LEU . 17054 1 137 . PRO . 17054 1 138 . LYS . 17054 1 139 . LEU . 17054 1 140 . LYS . 17054 1 141 . PRO . 17054 1 142 . ASP . 17054 1 143 . PRO . 17054 1 144 . ASN . 17054 1 145 . THR . 17054 1 146 . LEU . 17054 1 147 . CYS . 17054 1 148 . ASP . 17054 1 149 . GLU . 17054 1 150 . PHE . 17054 1 151 . LYS . 17054 1 152 . ALA . 17054 1 153 . ASP . 17054 1 154 . GLU . 17054 1 155 . LYS . 17054 1 156 . LYS . 17054 1 157 . PHE . 17054 1 158 . TRP . 17054 1 159 . GLY . 17054 1 160 . LYS . 17054 1 161 . TYR . 17054 1 162 . LEU . 17054 1 163 . TYR . 17054 1 164 . GLU . 17054 1 165 . ILE . 17054 1 166 . ALA . 17054 1 167 . ARG . 17054 1 168 . ARG . 17054 1 169 . HIS . 17054 1 170 . PRO . 17054 1 171 . TYR . 17054 1 172 . PHE . 17054 1 173 . TYR . 17054 1 174 . ALA . 17054 1 175 . PRO . 17054 1 176 . GLU . 17054 1 177 . LEU . 17054 1 178 . LEU . 17054 1 179 . TYR . 17054 1 180 . TYR . 17054 1 181 . ALA . 17054 1 182 . ASN . 17054 1 183 . LYS . 17054 1 184 . TYR . 17054 1 185 . ASN . 17054 1 186 . GLY . 17054 1 187 . VAL . 17054 1 188 . PHE . 17054 1 189 . GLN . 17054 1 190 . GLU . 17054 1 191 . CYS . 17054 1 192 . CYS . 17054 1 193 . GLN . 17054 1 194 . ALA . 17054 1 195 . GLU . 17054 1 196 . ASP . 17054 1 197 . LYS . 17054 1 198 . GLY . 17054 1 199 . ALA . 17054 1 200 . CYS . 17054 1 201 . LEU . 17054 1 202 . LEU . 17054 1 203 . PRO . 17054 1 204 . LYS . 17054 1 205 . ILE . 17054 1 206 . GLU . 17054 1 207 . THR . 17054 1 208 . MET . 17054 1 209 . ARG . 17054 1 210 . GLU . 17054 1 211 . LYS . 17054 1 212 . VAL . 17054 1 213 . LEU . 17054 1 214 . THR . 17054 1 215 . SER . 17054 1 216 . SER . 17054 1 217 . ALA . 17054 1 218 . ARG . 17054 1 219 . GLN . 17054 1 220 . ARG . 17054 1 221 . LEU . 17054 1 222 . ARG . 17054 1 223 . CYS . 17054 1 224 . ALA . 17054 1 225 . SER . 17054 1 226 . ILE . 17054 1 227 . GLN . 17054 1 228 . LYS . 17054 1 229 . PHE . 17054 1 230 . GLY . 17054 1 231 . GLU . 17054 1 232 . ARG . 17054 1 233 . ALA . 17054 1 234 . LEU . 17054 1 235 . LYS . 17054 1 236 . ALA . 17054 1 237 . TRP . 17054 1 238 . SER . 17054 1 239 . VAL . 17054 1 240 . ALA . 17054 1 241 . ARG . 17054 1 242 . LEU . 17054 1 243 . SER . 17054 1 244 . GLN . 17054 1 245 . LYS . 17054 1 246 . PHE . 17054 1 247 . PRO . 17054 1 248 . LYS . 17054 1 249 . ALA . 17054 1 250 . GLU . 17054 1 251 . PHE . 17054 1 252 . VAL . 17054 1 253 . GLU . 17054 1 254 . VAL . 17054 1 255 . THR . 17054 1 256 . LYS . 17054 1 257 . LEU . 17054 1 258 . VAL . 17054 1 259 . THR . 17054 1 260 . ASP . 17054 1 261 . LEU . 17054 1 262 . THR . 17054 1 263 . LYS . 17054 1 264 . VAL . 17054 1 265 . HIS . 17054 1 266 . LYS . 17054 1 267 . GLU . 17054 1 268 . CYS . 17054 1 269 . CYS . 17054 1 270 . HIS . 17054 1 271 . GLY . 17054 1 272 . ASP . 17054 1 273 . LEU . 17054 1 274 . LEU . 17054 1 275 . GLU . 17054 1 276 . CYS . 17054 1 277 . ALA . 17054 1 278 . ASP . 17054 1 279 . ASP . 17054 1 280 . ARG . 17054 1 281 . ALA . 17054 1 282 . ASP . 17054 1 283 . LEU . 17054 1 284 . ALA . 17054 1 285 . LYS . 17054 1 286 . TYR . 17054 1 287 . ILE . 17054 1 288 . CYS . 17054 1 289 . ASP . 17054 1 290 . ASN . 17054 1 291 . GLN . 17054 1 292 . ASP . 17054 1 293 . THR . 17054 1 294 . ILE . 17054 1 295 . SER . 17054 1 296 . SER . 17054 1 297 . LYS . 17054 1 298 . LEU . 17054 1 299 . LYS . 17054 1 300 . GLU . 17054 1 301 . CYS . 17054 1 302 . CYS . 17054 1 303 . ASP . 17054 1 304 . LYS . 17054 1 305 . PRO . 17054 1 306 . LEU . 17054 1 307 . LEU . 17054 1 308 . GLU . 17054 1 309 . LYS . 17054 1 310 . SER . 17054 1 311 . HIS . 17054 1 312 . CYS . 17054 1 313 . ILE . 17054 1 314 . ALA . 17054 1 315 . GLU . 17054 1 316 . VAL . 17054 1 317 . GLU . 17054 1 318 . LYS . 17054 1 319 . ASP . 17054 1 320 . ALA . 17054 1 321 . ILE . 17054 1 322 . PRO . 17054 1 323 . GLU . 17054 1 324 . ASN . 17054 1 325 . LEU . 17054 1 326 . PRO . 17054 1 327 . PRO . 17054 1 328 . LEU . 17054 1 329 . THR . 17054 1 330 . ALA . 17054 1 331 . ASP . 17054 1 332 . PHE . 17054 1 333 . ALA . 17054 1 334 . GLU . 17054 1 335 . ASP . 17054 1 336 . LYS . 17054 1 337 . ASP . 17054 1 338 . VAL . 17054 1 339 . CYS . 17054 1 340 . LYS . 17054 1 341 . ASN . 17054 1 342 . TYR . 17054 1 343 . GLN . 17054 1 344 . GLU . 17054 1 345 . ALA . 17054 1 346 . LYS . 17054 1 347 . ASP . 17054 1 348 . ALA . 17054 1 349 . PHE . 17054 1 350 . LEU . 17054 1 351 . GLY . 17054 1 352 . SER . 17054 1 353 . PHE . 17054 1 354 . LEU . 17054 1 355 . TYR . 17054 1 356 . GLU . 17054 1 357 . TYR . 17054 1 358 . SER . 17054 1 359 . ARG . 17054 1 360 . ARG . 17054 1 361 . HIS . 17054 1 362 . PRO . 17054 1 363 . GLU . 17054 1 364 . TYR . 17054 1 365 . ALA . 17054 1 366 . VAL . 17054 1 367 . SER . 17054 1 368 . VAL . 17054 1 369 . LEU . 17054 1 370 . LEU . 17054 1 371 . ARG . 17054 1 372 . LEU . 17054 1 373 . ALA . 17054 1 374 . LYS . 17054 1 375 . GLU . 17054 1 376 . TYR . 17054 1 377 . GLU . 17054 1 378 . ALA . 17054 1 379 . THR . 17054 1 380 . LEU . 17054 1 381 . GLU . 17054 1 382 . GLU . 17054 1 383 . CYS . 17054 1 384 . CYS . 17054 1 385 . ALA . 17054 1 386 . LYS . 17054 1 387 . ASP . 17054 1 388 . ASP . 17054 1 389 . PRO . 17054 1 390 . HIS . 17054 1 391 . ALA . 17054 1 392 . CYS . 17054 1 393 . TYR . 17054 1 394 . SER . 17054 1 395 . THR . 17054 1 396 . VAL . 17054 1 397 . PHE . 17054 1 398 . ASP . 17054 1 399 . LYS . 17054 1 400 . LEU . 17054 1 401 . LYS . 17054 1 402 . HIS . 17054 1 403 . LEU . 17054 1 404 . VAL . 17054 1 405 . ASP . 17054 1 406 . GLU . 17054 1 407 . PRO . 17054 1 408 . GLN . 17054 1 409 . ASN . 17054 1 410 . LEU . 17054 1 411 . ILE . 17054 1 412 . LYS . 17054 1 413 . GLN . 17054 1 414 . ASN . 17054 1 415 . CYS . 17054 1 416 . ASP . 17054 1 417 . GLN . 17054 1 418 . PHE . 17054 1 419 . GLU . 17054 1 420 . LYS . 17054 1 421 . LEU . 17054 1 422 . GLY . 17054 1 423 . GLU . 17054 1 424 . TYR . 17054 1 425 . GLY . 17054 1 426 . PHE . 17054 1 427 . GLN . 17054 1 428 . ASN . 17054 1 429 . ALA . 17054 1 430 . LEU . 17054 1 431 . ILE . 17054 1 432 . VAL . 17054 1 433 . ARG . 17054 1 434 . TYR . 17054 1 435 . THR . 17054 1 436 . ARG . 17054 1 437 . LYS . 17054 1 438 . VAL . 17054 1 439 . PRO . 17054 1 440 . GLN . 17054 1 441 . VAL . 17054 1 442 . SER . 17054 1 443 . THR . 17054 1 444 . PRO . 17054 1 445 . THR . 17054 1 446 . LEU . 17054 1 447 . VAL . 17054 1 448 . GLU . 17054 1 449 . VAL . 17054 1 450 . SER . 17054 1 451 . ARG . 17054 1 452 . SER . 17054 1 453 . LEU . 17054 1 454 . GLY . 17054 1 455 . LYS . 17054 1 456 . VAL . 17054 1 457 . GLY . 17054 1 458 . THR . 17054 1 459 . ARG . 17054 1 460 . CYS . 17054 1 461 . CYS . 17054 1 462 . THR . 17054 1 463 . LYS . 17054 1 464 . PRO . 17054 1 465 . GLU . 17054 1 466 . SER . 17054 1 467 . GLU . 17054 1 468 . ARG . 17054 1 469 . MET . 17054 1 470 . PRO . 17054 1 471 . CYS . 17054 1 472 . THR . 17054 1 473 . GLU . 17054 1 474 . ASP . 17054 1 475 . TYR . 17054 1 476 . LEU . 17054 1 477 . SER . 17054 1 478 . LEU . 17054 1 479 . ILE . 17054 1 480 . LEU . 17054 1 481 . ASN . 17054 1 482 . ARG . 17054 1 483 . LEU . 17054 1 484 . CYS . 17054 1 485 . VAL . 17054 1 486 . LEU . 17054 1 487 . HIS . 17054 1 488 . GLU . 17054 1 489 . LYS . 17054 1 490 . THR . 17054 1 491 . PRO . 17054 1 492 . VAL . 17054 1 493 . SER . 17054 1 494 . GLU . 17054 1 495 . LYS . 17054 1 496 . VAL . 17054 1 497 . THR . 17054 1 498 . LYS . 17054 1 499 . CYS . 17054 1 500 . CYS . 17054 1 501 . THR . 17054 1 502 . GLU . 17054 1 503 . SER . 17054 1 504 . LEU . 17054 1 505 . VAL . 17054 1 506 . ASN . 17054 1 507 . ARG . 17054 1 508 . ARG . 17054 1 509 . PRO . 17054 1 510 . CYS . 17054 1 511 . PHE . 17054 1 512 . SER . 17054 1 513 . ALA . 17054 1 514 . LEU . 17054 1 515 . THR . 17054 1 516 . PRO . 17054 1 517 . ASP . 17054 1 518 . GLU . 17054 1 519 . THR . 17054 1 520 . TYR . 17054 1 521 . VAL . 17054 1 522 . PRO . 17054 1 523 . LYS . 17054 1 524 . ALA . 17054 1 525 . PHE . 17054 1 526 . ASP . 17054 1 527 . GLU . 17054 1 528 . LYS . 17054 1 529 . LEU . 17054 1 530 . PHE . 17054 1 531 . THR . 17054 1 532 . PHE . 17054 1 533 . HIS . 17054 1 534 . ALA . 17054 1 535 . ASP . 17054 1 536 . ILE . 17054 1 537 . CYS . 17054 1 538 . THR . 17054 1 539 . LEU . 17054 1 540 . PRO . 17054 1 541 . ASP . 17054 1 542 . THR . 17054 1 543 . GLU . 17054 1 544 . LYS . 17054 1 545 . GLN . 17054 1 546 . ILE . 17054 1 547 . LYS . 17054 1 548 . LYS . 17054 1 549 . GLN . 17054 1 550 . THR . 17054 1 551 . ALA . 17054 1 552 . LEU . 17054 1 553 . VAL . 17054 1 554 . GLU . 17054 1 555 . LEU . 17054 1 556 . LEU . 17054 1 557 . LYS . 17054 1 558 . HIS . 17054 1 559 . LYS . 17054 1 560 . PRO . 17054 1 561 . LYS . 17054 1 562 . ALA . 17054 1 563 . THR . 17054 1 564 . GLU . 17054 1 565 . GLU . 17054 1 566 . GLN . 17054 1 567 . LEU . 17054 1 568 . LYS . 17054 1 569 . THR . 17054 1 570 . VAL . 17054 1 571 . MET . 17054 1 572 . GLU . 17054 1 573 . ASN . 17054 1 574 . PHE . 17054 1 575 . VAL . 17054 1 576 . ALA . 17054 1 577 . PHE . 17054 1 578 . VAL . 17054 1 579 . ASP . 17054 1 580 . LYS . 17054 1 581 . CYS . 17054 1 582 . CYS . 17054 1 583 . ALA . 17054 1 584 . ALA . 17054 1 585 . ASP . 17054 1 586 . ASP . 17054 1 587 . LYS . 17054 1 588 . GLU . 17054 1 589 . ALA . 17054 1 590 . CYS . 17054 1 591 . PHE . 17054 1 592 . ALA . 17054 1 593 . VAL . 17054 1 594 . GLU . 17054 1 595 . GLY . 17054 1 596 . PRO . 17054 1 597 . LYS . 17054 1 598 . LEU . 17054 1 599 . VAL . 17054 1 600 . VAL . 17054 1 601 . SER . 17054 1 602 . THR . 17054 1 603 . GLN . 17054 1 604 . THR . 17054 1 605 . ALA . 17054 1 606 . LEU . 17054 1 607 . ALA . 17054 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 17054 1 . LYS 2 2 17054 1 . TRP 3 3 17054 1 . VAL 4 4 17054 1 . THR 5 5 17054 1 . PHE 6 6 17054 1 . ILE 7 7 17054 1 . SER 8 8 17054 1 . LEU 9 9 17054 1 . LEU 10 10 17054 1 . LEU 11 11 17054 1 . LEU 12 12 17054 1 . PHE 13 13 17054 1 . SER 14 14 17054 1 . SER 15 15 17054 1 . ALA 16 16 17054 1 . TYR 17 17 17054 1 . SER 18 18 17054 1 . ARG 19 19 17054 1 . GLY 20 20 17054 1 . VAL 21 21 17054 1 . PHE 22 22 17054 1 . ARG 23 23 17054 1 . ARG 24 24 17054 1 . ASP 25 25 17054 1 . THR 26 26 17054 1 . HIS 27 27 17054 1 . LYS 28 28 17054 1 . SER 29 29 17054 1 . GLU 30 30 17054 1 . ILE 31 31 17054 1 . ALA 32 32 17054 1 . HIS 33 33 17054 1 . ARG 34 34 17054 1 . PHE 35 35 17054 1 . LYS 36 36 17054 1 . ASP 37 37 17054 1 . LEU 38 38 17054 1 . GLY 39 39 17054 1 . GLU 40 40 17054 1 . GLU 41 41 17054 1 . HIS 42 42 17054 1 . PHE 43 43 17054 1 . LYS 44 44 17054 1 . GLY 45 45 17054 1 . LEU 46 46 17054 1 . VAL 47 47 17054 1 . LEU 48 48 17054 1 . ILE 49 49 17054 1 . ALA 50 50 17054 1 . PHE 51 51 17054 1 . SER 52 52 17054 1 . GLN 53 53 17054 1 . TYR 54 54 17054 1 . LEU 55 55 17054 1 . GLN 56 56 17054 1 . GLN 57 57 17054 1 . CYS 58 58 17054 1 . PRO 59 59 17054 1 . PHE 60 60 17054 1 . ASP 61 61 17054 1 . GLU 62 62 17054 1 . HIS 63 63 17054 1 . VAL 64 64 17054 1 . LYS 65 65 17054 1 . LEU 66 66 17054 1 . VAL 67 67 17054 1 . ASN 68 68 17054 1 . GLU 69 69 17054 1 . LEU 70 70 17054 1 . THR 71 71 17054 1 . GLU 72 72 17054 1 . PHE 73 73 17054 1 . ALA 74 74 17054 1 . LYS 75 75 17054 1 . THR 76 76 17054 1 . CYS 77 77 17054 1 . VAL 78 78 17054 1 . ALA 79 79 17054 1 . ASP 80 80 17054 1 . GLU 81 81 17054 1 . SER 82 82 17054 1 . HIS 83 83 17054 1 . ALA 84 84 17054 1 . GLY 85 85 17054 1 . CYS 86 86 17054 1 . GLU 87 87 17054 1 . LYS 88 88 17054 1 . SER 89 89 17054 1 . LEU 90 90 17054 1 . HIS 91 91 17054 1 . THR 92 92 17054 1 . LEU 93 93 17054 1 . PHE 94 94 17054 1 . GLY 95 95 17054 1 . ASP 96 96 17054 1 . GLU 97 97 17054 1 . LEU 98 98 17054 1 . CYS 99 99 17054 1 . LYS 100 100 17054 1 . VAL 101 101 17054 1 . ALA 102 102 17054 1 . SER 103 103 17054 1 . LEU 104 104 17054 1 . ARG 105 105 17054 1 . GLU 106 106 17054 1 . THR 107 107 17054 1 . TYR 108 108 17054 1 . GLY 109 109 17054 1 . ASP 110 110 17054 1 . MET 111 111 17054 1 . ALA 112 112 17054 1 . ASP 113 113 17054 1 . CYS 114 114 17054 1 . CYS 115 115 17054 1 . GLU 116 116 17054 1 . LYS 117 117 17054 1 . GLN 118 118 17054 1 . GLU 119 119 17054 1 . PRO 120 120 17054 1 . GLU 121 121 17054 1 . ARG 122 122 17054 1 . ASN 123 123 17054 1 . GLU 124 124 17054 1 . CYS 125 125 17054 1 . PHE 126 126 17054 1 . LEU 127 127 17054 1 . SER 128 128 17054 1 . HIS 129 129 17054 1 . LYS 130 130 17054 1 . ASP 131 131 17054 1 . ASP 132 132 17054 1 . SER 133 133 17054 1 . PRO 134 134 17054 1 . ASP 135 135 17054 1 . LEU 136 136 17054 1 . PRO 137 137 17054 1 . LYS 138 138 17054 1 . LEU 139 139 17054 1 . LYS 140 140 17054 1 . PRO 141 141 17054 1 . ASP 142 142 17054 1 . PRO 143 143 17054 1 . ASN 144 144 17054 1 . THR 145 145 17054 1 . LEU 146 146 17054 1 . CYS 147 147 17054 1 . ASP 148 148 17054 1 . GLU 149 149 17054 1 . PHE 150 150 17054 1 . LYS 151 151 17054 1 . ALA 152 152 17054 1 . ASP 153 153 17054 1 . GLU 154 154 17054 1 . LYS 155 155 17054 1 . LYS 156 156 17054 1 . PHE 157 157 17054 1 . TRP 158 158 17054 1 . GLY 159 159 17054 1 . LYS 160 160 17054 1 . TYR 161 161 17054 1 . LEU 162 162 17054 1 . TYR 163 163 17054 1 . GLU 164 164 17054 1 . ILE 165 165 17054 1 . ALA 166 166 17054 1 . ARG 167 167 17054 1 . ARG 168 168 17054 1 . HIS 169 169 17054 1 . PRO 170 170 17054 1 . TYR 171 171 17054 1 . PHE 172 172 17054 1 . TYR 173 173 17054 1 . ALA 174 174 17054 1 . PRO 175 175 17054 1 . GLU 176 176 17054 1 . LEU 177 177 17054 1 . LEU 178 178 17054 1 . TYR 179 179 17054 1 . TYR 180 180 17054 1 . ALA 181 181 17054 1 . ASN 182 182 17054 1 . LYS 183 183 17054 1 . TYR 184 184 17054 1 . ASN 185 185 17054 1 . GLY 186 186 17054 1 . VAL 187 187 17054 1 . PHE 188 188 17054 1 . GLN 189 189 17054 1 . GLU 190 190 17054 1 . CYS 191 191 17054 1 . CYS 192 192 17054 1 . GLN 193 193 17054 1 . ALA 194 194 17054 1 . GLU 195 195 17054 1 . ASP 196 196 17054 1 . LYS 197 197 17054 1 . GLY 198 198 17054 1 . ALA 199 199 17054 1 . CYS 200 200 17054 1 . LEU 201 201 17054 1 . LEU 202 202 17054 1 . PRO 203 203 17054 1 . LYS 204 204 17054 1 . ILE 205 205 17054 1 . GLU 206 206 17054 1 . THR 207 207 17054 1 . MET 208 208 17054 1 . ARG 209 209 17054 1 . GLU 210 210 17054 1 . LYS 211 211 17054 1 . VAL 212 212 17054 1 . LEU 213 213 17054 1 . THR 214 214 17054 1 . SER 215 215 17054 1 . SER 216 216 17054 1 . ALA 217 217 17054 1 . ARG 218 218 17054 1 . GLN 219 219 17054 1 . ARG 220 220 17054 1 . LEU 221 221 17054 1 . ARG 222 222 17054 1 . CYS 223 223 17054 1 . ALA 224 224 17054 1 . SER 225 225 17054 1 . ILE 226 226 17054 1 . GLN 227 227 17054 1 . LYS 228 228 17054 1 . PHE 229 229 17054 1 . GLY 230 230 17054 1 . GLU 231 231 17054 1 . ARG 232 232 17054 1 . ALA 233 233 17054 1 . LEU 234 234 17054 1 . LYS 235 235 17054 1 . ALA 236 236 17054 1 . TRP 237 237 17054 1 . SER 238 238 17054 1 . VAL 239 239 17054 1 . ALA 240 240 17054 1 . ARG 241 241 17054 1 . LEU 242 242 17054 1 . SER 243 243 17054 1 . GLN 244 244 17054 1 . LYS 245 245 17054 1 . PHE 246 246 17054 1 . PRO 247 247 17054 1 . LYS 248 248 17054 1 . ALA 249 249 17054 1 . GLU 250 250 17054 1 . PHE 251 251 17054 1 . VAL 252 252 17054 1 . GLU 253 253 17054 1 . VAL 254 254 17054 1 . THR 255 255 17054 1 . LYS 256 256 17054 1 . LEU 257 257 17054 1 . VAL 258 258 17054 1 . THR 259 259 17054 1 . ASP 260 260 17054 1 . LEU 261 261 17054 1 . THR 262 262 17054 1 . LYS 263 263 17054 1 . VAL 264 264 17054 1 . HIS 265 265 17054 1 . LYS 266 266 17054 1 . GLU 267 267 17054 1 . CYS 268 268 17054 1 . CYS 269 269 17054 1 . HIS 270 270 17054 1 . GLY 271 271 17054 1 . ASP 272 272 17054 1 . LEU 273 273 17054 1 . LEU 274 274 17054 1 . GLU 275 275 17054 1 . CYS 276 276 17054 1 . ALA 277 277 17054 1 . ASP 278 278 17054 1 . ASP 279 279 17054 1 . ARG 280 280 17054 1 . ALA 281 281 17054 1 . ASP 282 282 17054 1 . LEU 283 283 17054 1 . ALA 284 284 17054 1 . LYS 285 285 17054 1 . TYR 286 286 17054 1 . ILE 287 287 17054 1 . CYS 288 288 17054 1 . ASP 289 289 17054 1 . ASN 290 290 17054 1 . GLN 291 291 17054 1 . ASP 292 292 17054 1 . THR 293 293 17054 1 . ILE 294 294 17054 1 . SER 295 295 17054 1 . SER 296 296 17054 1 . LYS 297 297 17054 1 . LEU 298 298 17054 1 . LYS 299 299 17054 1 . GLU 300 300 17054 1 . CYS 301 301 17054 1 . CYS 302 302 17054 1 . ASP 303 303 17054 1 . LYS 304 304 17054 1 . PRO 305 305 17054 1 . LEU 306 306 17054 1 . LEU 307 307 17054 1 . GLU 308 308 17054 1 . LYS 309 309 17054 1 . SER 310 310 17054 1 . HIS 311 311 17054 1 . CYS 312 312 17054 1 . ILE 313 313 17054 1 . ALA 314 314 17054 1 . GLU 315 315 17054 1 . VAL 316 316 17054 1 . GLU 317 317 17054 1 . LYS 318 318 17054 1 . ASP 319 319 17054 1 . ALA 320 320 17054 1 . ILE 321 321 17054 1 . PRO 322 322 17054 1 . GLU 323 323 17054 1 . ASN 324 324 17054 1 . LEU 325 325 17054 1 . PRO 326 326 17054 1 . PRO 327 327 17054 1 . LEU 328 328 17054 1 . THR 329 329 17054 1 . ALA 330 330 17054 1 . ASP 331 331 17054 1 . PHE 332 332 17054 1 . ALA 333 333 17054 1 . GLU 334 334 17054 1 . ASP 335 335 17054 1 . LYS 336 336 17054 1 . ASP 337 337 17054 1 . VAL 338 338 17054 1 . CYS 339 339 17054 1 . LYS 340 340 17054 1 . ASN 341 341 17054 1 . TYR 342 342 17054 1 . GLN 343 343 17054 1 . GLU 344 344 17054 1 . ALA 345 345 17054 1 . LYS 346 346 17054 1 . ASP 347 347 17054 1 . ALA 348 348 17054 1 . PHE 349 349 17054 1 . LEU 350 350 17054 1 . GLY 351 351 17054 1 . SER 352 352 17054 1 . PHE 353 353 17054 1 . LEU 354 354 17054 1 . TYR 355 355 17054 1 . GLU 356 356 17054 1 . TYR 357 357 17054 1 . SER 358 358 17054 1 . ARG 359 359 17054 1 . ARG 360 360 17054 1 . HIS 361 361 17054 1 . PRO 362 362 17054 1 . GLU 363 363 17054 1 . TYR 364 364 17054 1 . ALA 365 365 17054 1 . VAL 366 366 17054 1 . SER 367 367 17054 1 . VAL 368 368 17054 1 . LEU 369 369 17054 1 . LEU 370 370 17054 1 . ARG 371 371 17054 1 . LEU 372 372 17054 1 . ALA 373 373 17054 1 . LYS 374 374 17054 1 . GLU 375 375 17054 1 . TYR 376 376 17054 1 . GLU 377 377 17054 1 . ALA 378 378 17054 1 . THR 379 379 17054 1 . LEU 380 380 17054 1 . GLU 381 381 17054 1 . GLU 382 382 17054 1 . CYS 383 383 17054 1 . CYS 384 384 17054 1 . ALA 385 385 17054 1 . LYS 386 386 17054 1 . ASP 387 387 17054 1 . ASP 388 388 17054 1 . PRO 389 389 17054 1 . HIS 390 390 17054 1 . ALA 391 391 17054 1 . CYS 392 392 17054 1 . TYR 393 393 17054 1 . SER 394 394 17054 1 . THR 395 395 17054 1 . VAL 396 396 17054 1 . PHE 397 397 17054 1 . ASP 398 398 17054 1 . LYS 399 399 17054 1 . LEU 400 400 17054 1 . LYS 401 401 17054 1 . HIS 402 402 17054 1 . LEU 403 403 17054 1 . VAL 404 404 17054 1 . ASP 405 405 17054 1 . GLU 406 406 17054 1 . PRO 407 407 17054 1 . GLN 408 408 17054 1 . ASN 409 409 17054 1 . LEU 410 410 17054 1 . ILE 411 411 17054 1 . LYS 412 412 17054 1 . GLN 413 413 17054 1 . ASN 414 414 17054 1 . CYS 415 415 17054 1 . ASP 416 416 17054 1 . GLN 417 417 17054 1 . PHE 418 418 17054 1 . GLU 419 419 17054 1 . LYS 420 420 17054 1 . LEU 421 421 17054 1 . GLY 422 422 17054 1 . GLU 423 423 17054 1 . TYR 424 424 17054 1 . GLY 425 425 17054 1 . PHE 426 426 17054 1 . GLN 427 427 17054 1 . ASN 428 428 17054 1 . ALA 429 429 17054 1 . LEU 430 430 17054 1 . ILE 431 431 17054 1 . VAL 432 432 17054 1 . ARG 433 433 17054 1 . TYR 434 434 17054 1 . THR 435 435 17054 1 . ARG 436 436 17054 1 . LYS 437 437 17054 1 . VAL 438 438 17054 1 . PRO 439 439 17054 1 . GLN 440 440 17054 1 . VAL 441 441 17054 1 . SER 442 442 17054 1 . THR 443 443 17054 1 . PRO 444 444 17054 1 . THR 445 445 17054 1 . LEU 446 446 17054 1 . VAL 447 447 17054 1 . GLU 448 448 17054 1 . VAL 449 449 17054 1 . SER 450 450 17054 1 . ARG 451 451 17054 1 . SER 452 452 17054 1 . LEU 453 453 17054 1 . GLY 454 454 17054 1 . LYS 455 455 17054 1 . VAL 456 456 17054 1 . GLY 457 457 17054 1 . THR 458 458 17054 1 . ARG 459 459 17054 1 . CYS 460 460 17054 1 . CYS 461 461 17054 1 . THR 462 462 17054 1 . LYS 463 463 17054 1 . PRO 464 464 17054 1 . GLU 465 465 17054 1 . SER 466 466 17054 1 . GLU 467 467 17054 1 . ARG 468 468 17054 1 . MET 469 469 17054 1 . PRO 470 470 17054 1 . CYS 471 471 17054 1 . THR 472 472 17054 1 . GLU 473 473 17054 1 . ASP 474 474 17054 1 . TYR 475 475 17054 1 . LEU 476 476 17054 1 . SER 477 477 17054 1 . LEU 478 478 17054 1 . ILE 479 479 17054 1 . LEU 480 480 17054 1 . ASN 481 481 17054 1 . ARG 482 482 17054 1 . LEU 483 483 17054 1 . CYS 484 484 17054 1 . VAL 485 485 17054 1 . LEU 486 486 17054 1 . HIS 487 487 17054 1 . GLU 488 488 17054 1 . LYS 489 489 17054 1 . THR 490 490 17054 1 . PRO 491 491 17054 1 . VAL 492 492 17054 1 . SER 493 493 17054 1 . GLU 494 494 17054 1 . LYS 495 495 17054 1 . VAL 496 496 17054 1 . THR 497 497 17054 1 . LYS 498 498 17054 1 . CYS 499 499 17054 1 . CYS 500 500 17054 1 . THR 501 501 17054 1 . GLU 502 502 17054 1 . SER 503 503 17054 1 . LEU 504 504 17054 1 . VAL 505 505 17054 1 . ASN 506 506 17054 1 . ARG 507 507 17054 1 . ARG 508 508 17054 1 . PRO 509 509 17054 1 . CYS 510 510 17054 1 . PHE 511 511 17054 1 . SER 512 512 17054 1 . ALA 513 513 17054 1 . LEU 514 514 17054 1 . THR 515 515 17054 1 . PRO 516 516 17054 1 . ASP 517 517 17054 1 . GLU 518 518 17054 1 . THR 519 519 17054 1 . TYR 520 520 17054 1 . VAL 521 521 17054 1 . PRO 522 522 17054 1 . LYS 523 523 17054 1 . ALA 524 524 17054 1 . PHE 525 525 17054 1 . ASP 526 526 17054 1 . GLU 527 527 17054 1 . LYS 528 528 17054 1 . LEU 529 529 17054 1 . PHE 530 530 17054 1 . THR 531 531 17054 1 . PHE 532 532 17054 1 . HIS 533 533 17054 1 . ALA 534 534 17054 1 . ASP 535 535 17054 1 . ILE 536 536 17054 1 . CYS 537 537 17054 1 . THR 538 538 17054 1 . LEU 539 539 17054 1 . PRO 540 540 17054 1 . ASP 541 541 17054 1 . THR 542 542 17054 1 . GLU 543 543 17054 1 . LYS 544 544 17054 1 . GLN 545 545 17054 1 . ILE 546 546 17054 1 . LYS 547 547 17054 1 . LYS 548 548 17054 1 . GLN 549 549 17054 1 . THR 550 550 17054 1 . ALA 551 551 17054 1 . LEU 552 552 17054 1 . VAL 553 553 17054 1 . GLU 554 554 17054 1 . LEU 555 555 17054 1 . LEU 556 556 17054 1 . LYS 557 557 17054 1 . HIS 558 558 17054 1 . LYS 559 559 17054 1 . PRO 560 560 17054 1 . LYS 561 561 17054 1 . ALA 562 562 17054 1 . THR 563 563 17054 1 . GLU 564 564 17054 1 . GLU 565 565 17054 1 . GLN 566 566 17054 1 . LEU 567 567 17054 1 . LYS 568 568 17054 1 . THR 569 569 17054 1 . VAL 570 570 17054 1 . MET 571 571 17054 1 . GLU 572 572 17054 1 . ASN 573 573 17054 1 . PHE 574 574 17054 1 . VAL 575 575 17054 1 . ALA 576 576 17054 1 . PHE 577 577 17054 1 . VAL 578 578 17054 1 . ASP 579 579 17054 1 . LYS 580 580 17054 1 . CYS 581 581 17054 1 . CYS 582 582 17054 1 . ALA 583 583 17054 1 . ALA 584 584 17054 1 . ASP 585 585 17054 1 . ASP 586 586 17054 1 . LYS 587 587 17054 1 . GLU 588 588 17054 1 . ALA 589 589 17054 1 . CYS 590 590 17054 1 . PHE 591 591 17054 1 . ALA 592 592 17054 1 . VAL 593 593 17054 1 . GLU 594 594 17054 1 . GLY 595 595 17054 1 . PRO 596 596 17054 1 . LYS 597 597 17054 1 . LEU 598 598 17054 1 . VAL 599 599 17054 1 . VAL 600 600 17054 1 . SER 601 601 17054 1 . THR 602 602 17054 1 . GLN 603 603 17054 1 . THR 604 604 17054 1 . ALA 605 605 17054 1 . LEU 606 606 17054 1 . ALA 607 607 17054 1 stop_ save_ save_SXX _Entity.Sf_category entity _Entity.Sf_framecode SXX _Entity.Entry_ID 17054 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name SXX _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID SXX _Entity.Nonpolymer_comp_label $chem_comp_SXX _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . SXX . 17054 2 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 17054 _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 $BSA . 9913 organism . 'Bos taurus' cattle . . Eukaryota Metazoa Bos taurus . . . . . . . . . . . . . . . . . . . . . 17054 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 17054 _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 $BSA . 'obtained from a vendor' . . . . . . . . . . . . . . . . . . . . . . . . . . Sigma . . 17054 1 2 2 $SXX . 'obtained from a vendor' . . . . . . . . . . . . . . . . . . . . . . . . . . Sigma . . 17054 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_SXX _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_SXX _Chem_comp.Entry_ID 17054 _Chem_comp.ID SXX _Chem_comp.Provenance . _Chem_comp.Name SINAPINATE _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code SXX _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code SXX _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic yes _Chem_comp.Formula 'C11 H12 O5' _Chem_comp.Formula_weight 224.210 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1WB4 _Chem_comp.Processing_site PDBe _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:20:22 2009 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID COc1cc(cc(c1O)OC)\C=C\C(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17054 SXX COc1cc(cc(c1O)OC)C=CC(=O)O SMILES 'OpenEye OEToolkits' 1.5.0 17054 SXX COc1cc(\C=C\C(O)=O)cc(OC)c1O SMILES_CANONICAL CACTVS 3.341 17054 SXX COc1cc(C=CC(O)=O)cc(OC)c1O SMILES CACTVS 3.341 17054 SXX InChI=1/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+/f/h12H InChI InChI 1.02b 17054 SXX O=C(O)\C=C\c1cc(OC)c(O)c(OC)c1 SMILES ACDLabs 10.04 17054 SXX PCMORTLOPMLEFB-VENOTMPWDC InChIKey InChI 1.02b 17054 SXX stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 17054 SXX '(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17054 SXX stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 . C1 . . C . . N 0 . . . . . . . . . . 11.696 . 113.444 . 16.822 . -0.364 0.006 2.403 . . 17054 SXX C10 . C10 . . C . . N 0 . . . . . . . . . . 9.116 . 113.715 . 13.381 . 0.811 -0.000 -1.678 . . 17054 SXX C11 . C11 . . C . . N 0 . . . . . . . . . . 8.454 . 114.809 . 12.981 . -0.125 -0.001 -2.651 . . 17054 SXX C12 . C12 . . C . . N 0 . . . . . . . . . . 7.575 . 114.759 . 11.770 . 0.266 -0.005 -4.013 . . 17054 SXX C14 . C14 . . C . . N 0 . . . . . . . . . . 10.501 . 116.888 . 17.489 . -3.384 0.010 0.504 . . 17054 SXX C15 . C15 . . C . . N 0 . . . . . . . . . . 11.793 . 109.961 . 15.685 . 3.202 0.006 2.402 . . 17054 SXX C2 . C2 . . C . . N 0 . . . . . . . . . . 11.452 . 112.313 . 15.963 . 0.988 0.009 2.070 . . 17054 SXX C3 . C3 . . C . . N 0 . . . . . . . . . . 10.635 . 112.438 . 14.833 . 1.374 0.005 0.743 . . 17054 SXX C4 . C4 . . C . . N 0 . . . . . . . . . . 10.015 . 113.682 . 14.565 . 0.404 0.004 -0.266 . . 17054 SXX C5 . C5 . . C . . N 0 . . . . . . . . . . 10.277 . 114.819 . 15.370 . -0.953 0.006 0.072 . . 17054 SXX C6 . C6 . . C . . N 0 . . . . . . . . . . 11.082 . 114.693 . 16.519 . -1.331 0.010 1.401 . . 17054 SXX H10 . H10 . . H . . N 0 . . . . . . . . . . 8.987 . 112.787 . 12.799 . 1.859 -0.002 -1.938 . . 17054 SXX H11 . H11 . . H . . N 0 . . . . . . . . . . 8.557 . 115.751 . 13.546 . -1.173 0.000 -2.391 . . 17054 SXX H13 . H13 . . H . . N 0 . . . . . . . . . . 6.439 . 115.901 . 10.704 . -0.196 -0.009 -5.828 . . 17054 SXX H141 . H141 . . H . . N 0 . . . . . . . . . . 10.699 . 117.697 . 18.231 . -4.452 0.012 0.720 . . 17054 SXX H142 . H142 . . H . . N 0 . . . . . . . . . . 9.439 . 116.569 . 17.604 . -3.128 0.898 -0.072 . . 17054 SXX H143 . H143 . . H . . N 0 . . . . . . . . . . 10.495 . 117.348 . 16.473 . -3.130 -0.881 -0.068 . . 17054 SXX H151 . H151 . . H . . N 0 . . . . . . . . . . 12.276 . 109.021 . 16.041 . 3.993 0.006 3.153 . . 17054 SXX H152 . H152 . . H . . N 0 . . . . . . . . . . 12.053 . 110.112 . 14.611 . 3.291 -0.885 1.781 . . 17054 SXX H153 . H153 . . H . . N 0 . . . . . . . . . . 10.692 . 109.795 . 15.623 . 3.294 0.894 1.777 . . 17054 SXX H3 . H3 . . H . . N 0 . . . . . . . . . . 10.476 . 111.578 . 14.160 . 2.423 0.003 0.485 . . 17054 SXX H5 . H5 . . H . . N 0 . . . . . . . . . . 9.852 . 115.799 . 15.097 . -1.704 0.006 -0.703 . . 17054 SXX H7 . H7 . . H . . N 0 . . . . . . . . . . 12.632 . 114.099 . 18.510 . -0.822 -0.916 3.978 . . 17054 SXX O13 . O13 . . O . . N 0 . . . . . . . . . . 6.997 . 115.933 . 11.473 . -0.669 -0.006 -4.985 . . 17054 SXX O14 . O14 . . O . . N 0 . . . . . . . . . . 7.362 . 113.739 . 11.080 . 1.447 -0.008 -4.306 . . 17054 SXX O7 . O7 . . O . . N 0 . . . . . . . . . . 12.471 . 113.353 . 17.944 . -0.740 0.009 3.709 . . 17054 SXX O8 . O8 . . O . . N 0 . . . . . . . . . . 11.326 . 115.689 . 17.433 . -2.651 0.012 1.731 . . 17054 SXX O9 . O9 . . O . . N 0 . . . . . . . . . . 12.033 . 111.183 . 16.391 . 1.929 0.009 3.051 . . 17054 SXX stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C1 C2 . . 1 . 17054 SXX 2 . SING C1 C6 . . 2 . 17054 SXX 3 . SING C1 O7 . . 3 . 17054 SXX 4 . SING C2 C3 . . 4 . 17054 SXX 5 . SING C2 O9 . . 5 . 17054 SXX 6 . DOUB C3 C4 . . 6 . 17054 SXX 7 . SING C3 H3 . . 7 . 17054 SXX 8 . SING C4 C5 . . 8 . 17054 SXX 9 . SING C4 C10 . . 9 . 17054 SXX 10 . DOUB C5 C6 . . 10 . 17054 SXX 11 . SING C5 H5 . . 11 . 17054 SXX 12 . SING C6 O8 . . 12 . 17054 SXX 13 . SING O7 H7 . . 13 . 17054 SXX 14 . SING O8 C14 . . 14 . 17054 SXX 15 . SING O9 C15 . . 15 . 17054 SXX 16 . DOUB C10 C11 . . 16 . 17054 SXX 17 . SING C10 H10 . . 17 . 17054 SXX 18 . SING C11 C12 . . 18 . 17054 SXX 19 . SING C11 H11 . . 19 . 17054 SXX 20 . SING C12 O13 . . 20 . 17054 SXX 21 . DOUB C12 O14 . . 21 . 17054 SXX 22 . SING O13 H13 . . 22 . 17054 SXX 23 . SING C15 H151 . . 23 . 17054 SXX 24 . SING C15 H152 . . 24 . 17054 SXX 25 . SING C15 H153 . . 25 . 17054 SXX 26 . SING C14 H141 . . 26 . 17054 SXX 27 . SING C14 H142 . . 27 . 17054 SXX 28 . SING C14 H143 . . 28 . 17054 SXX stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17054 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'ligand and protein were dissolved in DMSO' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 BSA 'natural abundance' . . 1 $BSA . . . 0 1.5 mM . . . . 17054 1 2 SXX 'natural abundance' . . 2 $SXX . . 0.04 . . M . . . . 17054 1 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17054 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 17054 _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 1 . pH 17054 1 pressure 1 . atm 17054 1 temperature 298 . K 17054 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 17054 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17054 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17054 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 17054 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AC _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 200 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 17054 _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 AC . 200 . . . 17054 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 17054 _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 NMR' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17054 1 stop_ save_ save_binding_data _Binding_value_list.Sf_category binding_data _Binding_value_list.Sf_framecode binding_data _Binding_value_list.Entry_ID 17054 _Binding_value_list.ID 1 _Binding_value_list.Sample_condition_list_ID 1 _Binding_value_list.Sample_condition_list_label $sample_conditions_1 _Binding_value_list.Details . _Binding_value_list.Text_data_format . _Binding_value_list.Text_data . loop_ _Binding_experiment.Experiment_ID _Binding_experiment.Experiment_name _Binding_experiment.Sample_ID _Binding_experiment.Sample_label _Binding_experiment.Sample_state _Binding_experiment.Entry_ID _Binding_experiment.Binding_value_list_ID 1 '1H NMR' 1 $sample_1 isotropic 17054 1 stop_ loop_ _Binding_software.Software_ID _Binding_software.Software_label _Binding_software.Method_ID _Binding_software.Method_label _Binding_software.Entry_ID _Binding_software.Binding_value_list_ID 1 $xwinnmr . . 17054 1 stop_ loop_ _Binding_result.ID _Binding_result.Experiment_ID _Binding_result.Assembly_ID _Binding_result.Atm_obs_assembly_atom_ID _Binding_result.Atm_obs_entity_assembly_ID _Binding_result.Atm_obs_entity_ID _Binding_result.Atm_obs_comp_index_ID _Binding_result.Atm_obs_seq_ID _Binding_result.Atm_obs_comp_ID _Binding_result.Atm_obs_atom_ID _Binding_result.Atm_obs_atom_type _Binding_result.Atm_obs_atom_isotope_number _Binding_result.Resonance_ID _Binding_result.Atm_obs_auth_entity_assembly_ID _Binding_result.Atm_obs_auth_seq_ID _Binding_result.Atm_obs_auth_comp_ID _Binding_result.Atm_obs_auth_atom_ID _Binding_result.Expt_observed_param _Binding_result.Val_type _Binding_result.Val _Binding_result.Val_err _Binding_result.Val_units _Binding_result.Entry_ID _Binding_result.Binding_value_list_ID 1 1 1 . 1 1 . . . . . . . . . . . 'chemical shifts' Kd 358.21 54.33 M 17054 1 stop_ loop_ _Binding_partners.Binding_result_ID _Binding_partners.Assembly_ID _Binding_partners.Entity_assembly_ID _Binding_partners.Entity_assembly_name _Binding_partners.Entity_ID _Binding_partners.Entity_label _Binding_partners.Entry_ID _Binding_partners.Binding_value_list_ID 1 1 1 BSA 1 $BSA 17054 1 1 1 2 SXX 2 $SXX 17054 1 stop_ save_