data_51751 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51751 _Entry.Title ; BiP (Grp78) Met Ce, Val g1/g2 and Ile d1 assignment ATP regeneration ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-12-22 _Entry.Accession_date 2022-12-22 _Entry.Last_release_date 2022-12-22 _Entry.Original_release_date 2022-12-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; Assignment of the ER Hsp70 BiP methyl group Met Ce, Val g1/g2 and Ile d1 in its three states during its functional cycle ATP, ADP-Pi D1 and ADP-Pi D2. ; _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.ORCID _Entry_author.Entry_ID 1 Guillaume Mas . . . . 51751 2 Sebastian Hiller . . . . 51751 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 51751 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 205 51751 '1H chemical shifts' 615 51751 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 . . 2025-05-27 . original BMRB . 51751 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51751 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The functional cycle of the human Hsp70 chaperone BiP at atomic resolution ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev Cell _Citation.Journal_name_full . _Citation.Journal_volume . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Guillaume Mas . . . . 51751 1 2 Sebastian Hiller . . . . 51751 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51751 _Assembly.ID 1 _Assembly.Name 'BiP (Grp78)' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands 2 _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange yes _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 BiP 1 $entity_1 . . yes native yes no . . . 51751 1 2 ATP 2 $entity_ATP . . no native yes no . . . 51751 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51751 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; EEEDKKEDVGTVVGIDLGTT YSCVGVFKNGRVEIIANDQG NRITPSYVAFTPEGERLIGD AAKNQLTSNPENTVFDAKRL IGRTWNDPSVQQDIKFLPFK VVEKKTKPYIQVDIGGGQTK TFAPEEISAMVLTKMKETAE AYLGKKVTHAVVTVPAYFND AQRQATKDAGTIAGLNVMRI INEPTAAAIAYGLDKREGEK NILVFDLGGGTFDVSLLTID NGVFEVVATNGDTHLGGEDF DQRVMEHFIKLYKKKTGKDV RKDNRAVQKLRREVEKAKRA LSSQHQARIEIESFYEGEDF SETLTRAKFEELNMDLFRST MKPVQKVLEDSDLKKSDIDE IVLVGGSTRIPKIQQLVKEF FNGKEPSRGINPDEAVAYGA AVQAGVLSGDQDTGDLVLLD VCPLTLGIETVGGVMTKLIP RNTVVPTKKSQIFSTASDNQ PTVTIKVYEGERPLTKDNHL LGTFDLTGIPPAPRGVPQIE VTFEIDVNGILRVTAEDKGT GNKNKITITNDQNRLTPEEI ERMVNDAEKFAEEDKKLKER IDTRNELESYAYSLKNQIGD KEKLGGKLSSEDKETMEKAV EEKIEWLESHQDADIEDFKA KKKELEEIVQPIISKLYGSA GPPPTGEEDTAEKDEL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 19-654 _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 636 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ATPase 51751 1 chaperone 51751 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 19 GLU . 51751 1 2 20 GLU . 51751 1 3 21 GLU . 51751 1 4 22 ASP . 51751 1 5 23 LYS . 51751 1 6 24 LYS . 51751 1 7 25 GLU . 51751 1 8 26 ASP . 51751 1 9 27 VAL . 51751 1 10 28 GLY . 51751 1 11 29 THR . 51751 1 12 30 VAL . 51751 1 13 31 VAL . 51751 1 14 32 GLY . 51751 1 15 33 ILE . 51751 1 16 34 ASP . 51751 1 17 35 LEU . 51751 1 18 36 GLY . 51751 1 19 37 THR . 51751 1 20 38 THR . 51751 1 21 39 TYR . 51751 1 22 40 SER . 51751 1 23 41 CYS . 51751 1 24 42 VAL . 51751 1 25 43 GLY . 51751 1 26 44 VAL . 51751 1 27 45 PHE . 51751 1 28 46 LYS . 51751 1 29 47 ASN . 51751 1 30 48 GLY . 51751 1 31 49 ARG . 51751 1 32 50 VAL . 51751 1 33 51 GLU . 51751 1 34 52 ILE . 51751 1 35 53 ILE . 51751 1 36 54 ALA . 51751 1 37 55 ASN . 51751 1 38 56 ASP . 51751 1 39 57 GLN . 51751 1 40 58 GLY . 51751 1 41 59 ASN . 51751 1 42 60 ARG . 51751 1 43 61 ILE . 51751 1 44 62 THR . 51751 1 45 63 PRO . 51751 1 46 64 SER . 51751 1 47 65 TYR . 51751 1 48 66 VAL . 51751 1 49 67 ALA . 51751 1 50 68 PHE . 51751 1 51 69 THR . 51751 1 52 70 PRO . 51751 1 53 71 GLU . 51751 1 54 72 GLY . 51751 1 55 73 GLU . 51751 1 56 74 ARG . 51751 1 57 75 LEU . 51751 1 58 76 ILE . 51751 1 59 77 GLY . 51751 1 60 78 ASP . 51751 1 61 79 ALA . 51751 1 62 80 ALA . 51751 1 63 81 LYS . 51751 1 64 82 ASN . 51751 1 65 83 GLN . 51751 1 66 84 LEU . 51751 1 67 85 THR . 51751 1 68 86 SER . 51751 1 69 87 ASN . 51751 1 70 88 PRO . 51751 1 71 89 GLU . 51751 1 72 90 ASN . 51751 1 73 91 THR . 51751 1 74 92 VAL . 51751 1 75 93 PHE . 51751 1 76 94 ASP . 51751 1 77 95 ALA . 51751 1 78 96 LYS . 51751 1 79 97 ARG . 51751 1 80 98 LEU . 51751 1 81 99 ILE . 51751 1 82 100 GLY . 51751 1 83 101 ARG . 51751 1 84 102 THR . 51751 1 85 103 TRP . 51751 1 86 104 ASN . 51751 1 87 105 ASP . 51751 1 88 106 PRO . 51751 1 89 107 SER . 51751 1 90 108 VAL . 51751 1 91 109 GLN . 51751 1 92 110 GLN . 51751 1 93 111 ASP . 51751 1 94 112 ILE . 51751 1 95 113 LYS . 51751 1 96 114 PHE . 51751 1 97 115 LEU . 51751 1 98 116 PRO . 51751 1 99 117 PHE . 51751 1 100 118 LYS . 51751 1 101 119 VAL . 51751 1 102 120 VAL . 51751 1 103 121 GLU . 51751 1 104 122 LYS . 51751 1 105 123 LYS . 51751 1 106 124 THR . 51751 1 107 125 LYS . 51751 1 108 126 PRO . 51751 1 109 127 TYR . 51751 1 110 128 ILE . 51751 1 111 129 GLN . 51751 1 112 130 VAL . 51751 1 113 131 ASP . 51751 1 114 132 ILE . 51751 1 115 133 GLY . 51751 1 116 134 GLY . 51751 1 117 135 GLY . 51751 1 118 136 GLN . 51751 1 119 137 THR . 51751 1 120 138 LYS . 51751 1 121 139 THR . 51751 1 122 140 PHE . 51751 1 123 141 ALA . 51751 1 124 142 PRO . 51751 1 125 143 GLU . 51751 1 126 144 GLU . 51751 1 127 145 ILE . 51751 1 128 146 SER . 51751 1 129 147 ALA . 51751 1 130 148 MET . 51751 1 131 149 VAL . 51751 1 132 150 LEU . 51751 1 133 151 THR . 51751 1 134 152 LYS . 51751 1 135 153 MET . 51751 1 136 154 LYS . 51751 1 137 155 GLU . 51751 1 138 156 THR . 51751 1 139 157 ALA . 51751 1 140 158 GLU . 51751 1 141 159 ALA . 51751 1 142 160 TYR . 51751 1 143 161 LEU . 51751 1 144 162 GLY . 51751 1 145 163 LYS . 51751 1 146 164 LYS . 51751 1 147 165 VAL . 51751 1 148 166 THR . 51751 1 149 167 HIS . 51751 1 150 168 ALA . 51751 1 151 169 VAL . 51751 1 152 170 VAL . 51751 1 153 171 THR . 51751 1 154 172 VAL . 51751 1 155 173 PRO . 51751 1 156 174 ALA . 51751 1 157 175 TYR . 51751 1 158 176 PHE . 51751 1 159 177 ASN . 51751 1 160 178 ASP . 51751 1 161 179 ALA . 51751 1 162 180 GLN . 51751 1 163 181 ARG . 51751 1 164 182 GLN . 51751 1 165 183 ALA . 51751 1 166 184 THR . 51751 1 167 185 LYS . 51751 1 168 186 ASP . 51751 1 169 187 ALA . 51751 1 170 188 GLY . 51751 1 171 189 THR . 51751 1 172 190 ILE . 51751 1 173 191 ALA . 51751 1 174 192 GLY . 51751 1 175 193 LEU . 51751 1 176 194 ASN . 51751 1 177 195 VAL . 51751 1 178 196 MET . 51751 1 179 197 ARG . 51751 1 180 198 ILE . 51751 1 181 199 ILE . 51751 1 182 200 ASN . 51751 1 183 201 GLU . 51751 1 184 202 PRO . 51751 1 185 203 THR . 51751 1 186 204 ALA . 51751 1 187 205 ALA . 51751 1 188 206 ALA . 51751 1 189 207 ILE . 51751 1 190 208 ALA . 51751 1 191 209 TYR . 51751 1 192 210 GLY . 51751 1 193 211 LEU . 51751 1 194 212 ASP . 51751 1 195 213 LYS . 51751 1 196 214 ARG . 51751 1 197 215 GLU . 51751 1 198 216 GLY . 51751 1 199 217 GLU . 51751 1 200 218 LYS . 51751 1 201 219 ASN . 51751 1 202 220 ILE . 51751 1 203 221 LEU . 51751 1 204 222 VAL . 51751 1 205 223 PHE . 51751 1 206 224 ASP . 51751 1 207 225 LEU . 51751 1 208 226 GLY . 51751 1 209 227 GLY . 51751 1 210 228 GLY . 51751 1 211 229 THR . 51751 1 212 230 PHE . 51751 1 213 231 ASP . 51751 1 214 232 VAL . 51751 1 215 233 SER . 51751 1 216 234 LEU . 51751 1 217 235 LEU . 51751 1 218 236 THR . 51751 1 219 237 ILE . 51751 1 220 238 ASP . 51751 1 221 239 ASN . 51751 1 222 240 GLY . 51751 1 223 241 VAL . 51751 1 224 242 PHE . 51751 1 225 243 GLU . 51751 1 226 244 VAL . 51751 1 227 245 VAL . 51751 1 228 246 ALA . 51751 1 229 247 THR . 51751 1 230 248 ASN . 51751 1 231 249 GLY . 51751 1 232 250 ASP . 51751 1 233 251 THR . 51751 1 234 252 HIS . 51751 1 235 253 LEU . 51751 1 236 254 GLY . 51751 1 237 255 GLY . 51751 1 238 256 GLU . 51751 1 239 257 ASP . 51751 1 240 258 PHE . 51751 1 241 259 ASP . 51751 1 242 260 GLN . 51751 1 243 261 ARG . 51751 1 244 262 VAL . 51751 1 245 263 MET . 51751 1 246 264 GLU . 51751 1 247 265 HIS . 51751 1 248 266 PHE . 51751 1 249 267 ILE . 51751 1 250 268 LYS . 51751 1 251 269 LEU . 51751 1 252 270 TYR . 51751 1 253 271 LYS . 51751 1 254 272 LYS . 51751 1 255 273 LYS . 51751 1 256 274 THR . 51751 1 257 275 GLY . 51751 1 258 276 LYS . 51751 1 259 277 ASP . 51751 1 260 278 VAL . 51751 1 261 279 ARG . 51751 1 262 280 LYS . 51751 1 263 281 ASP . 51751 1 264 282 ASN . 51751 1 265 283 ARG . 51751 1 266 284 ALA . 51751 1 267 285 VAL . 51751 1 268 286 GLN . 51751 1 269 287 LYS . 51751 1 270 288 LEU . 51751 1 271 289 ARG . 51751 1 272 290 ARG . 51751 1 273 291 GLU . 51751 1 274 292 VAL . 51751 1 275 293 GLU . 51751 1 276 294 LYS . 51751 1 277 295 ALA . 51751 1 278 296 LYS . 51751 1 279 297 ARG . 51751 1 280 298 ALA . 51751 1 281 299 LEU . 51751 1 282 300 SER . 51751 1 283 301 SER . 51751 1 284 302 GLN . 51751 1 285 303 HIS . 51751 1 286 304 GLN . 51751 1 287 305 ALA . 51751 1 288 306 ARG . 51751 1 289 307 ILE . 51751 1 290 308 GLU . 51751 1 291 309 ILE . 51751 1 292 310 GLU . 51751 1 293 311 SER . 51751 1 294 312 PHE . 51751 1 295 313 TYR . 51751 1 296 314 GLU . 51751 1 297 315 GLY . 51751 1 298 316 GLU . 51751 1 299 317 ASP . 51751 1 300 318 PHE . 51751 1 301 319 SER . 51751 1 302 320 GLU . 51751 1 303 321 THR . 51751 1 304 322 LEU . 51751 1 305 323 THR . 51751 1 306 324 ARG . 51751 1 307 325 ALA . 51751 1 308 326 LYS . 51751 1 309 327 PHE . 51751 1 310 328 GLU . 51751 1 311 329 GLU . 51751 1 312 330 LEU . 51751 1 313 331 ASN . 51751 1 314 332 MET . 51751 1 315 333 ASP . 51751 1 316 334 LEU . 51751 1 317 335 PHE . 51751 1 318 336 ARG . 51751 1 319 337 SER . 51751 1 320 338 THR . 51751 1 321 339 MET . 51751 1 322 340 LYS . 51751 1 323 341 PRO . 51751 1 324 342 VAL . 51751 1 325 343 GLN . 51751 1 326 344 LYS . 51751 1 327 345 VAL . 51751 1 328 346 LEU . 51751 1 329 347 GLU . 51751 1 330 348 ASP . 51751 1 331 349 SER . 51751 1 332 350 ASP . 51751 1 333 351 LEU . 51751 1 334 352 LYS . 51751 1 335 353 LYS . 51751 1 336 354 SER . 51751 1 337 355 ASP . 51751 1 338 356 ILE . 51751 1 339 357 ASP . 51751 1 340 358 GLU . 51751 1 341 359 ILE . 51751 1 342 360 VAL . 51751 1 343 361 LEU . 51751 1 344 362 VAL . 51751 1 345 363 GLY . 51751 1 346 364 GLY . 51751 1 347 365 SER . 51751 1 348 366 THR . 51751 1 349 367 ARG . 51751 1 350 368 ILE . 51751 1 351 369 PRO . 51751 1 352 370 LYS . 51751 1 353 371 ILE . 51751 1 354 372 GLN . 51751 1 355 373 GLN . 51751 1 356 374 LEU . 51751 1 357 375 VAL . 51751 1 358 376 LYS . 51751 1 359 377 GLU . 51751 1 360 378 PHE . 51751 1 361 379 PHE . 51751 1 362 380 ASN . 51751 1 363 381 GLY . 51751 1 364 382 LYS . 51751 1 365 383 GLU . 51751 1 366 384 PRO . 51751 1 367 385 SER . 51751 1 368 386 ARG . 51751 1 369 387 GLY . 51751 1 370 388 ILE . 51751 1 371 389 ASN . 51751 1 372 390 PRO . 51751 1 373 391 ASP . 51751 1 374 392 GLU . 51751 1 375 393 ALA . 51751 1 376 394 VAL . 51751 1 377 395 ALA . 51751 1 378 396 TYR . 51751 1 379 397 GLY . 51751 1 380 398 ALA . 51751 1 381 399 ALA . 51751 1 382 400 VAL . 51751 1 383 401 GLN . 51751 1 384 402 ALA . 51751 1 385 403 GLY . 51751 1 386 404 VAL . 51751 1 387 405 LEU . 51751 1 388 406 SER . 51751 1 389 407 GLY . 51751 1 390 408 ASP . 51751 1 391 409 GLN . 51751 1 392 410 ASP . 51751 1 393 411 THR . 51751 1 394 412 GLY . 51751 1 395 413 ASP . 51751 1 396 414 LEU . 51751 1 397 415 VAL . 51751 1 398 416 LEU . 51751 1 399 417 LEU . 51751 1 400 418 ASP . 51751 1 401 419 VAL . 51751 1 402 420 CYS . 51751 1 403 421 PRO . 51751 1 404 422 LEU . 51751 1 405 423 THR . 51751 1 406 424 LEU . 51751 1 407 425 GLY . 51751 1 408 426 ILE . 51751 1 409 427 GLU . 51751 1 410 428 THR . 51751 1 411 429 VAL . 51751 1 412 430 GLY . 51751 1 413 431 GLY . 51751 1 414 432 VAL . 51751 1 415 433 MET . 51751 1 416 434 THR . 51751 1 417 435 LYS . 51751 1 418 436 LEU . 51751 1 419 437 ILE . 51751 1 420 438 PRO . 51751 1 421 439 ARG . 51751 1 422 440 ASN . 51751 1 423 441 THR . 51751 1 424 442 VAL . 51751 1 425 443 VAL . 51751 1 426 444 PRO . 51751 1 427 445 THR . 51751 1 428 446 LYS . 51751 1 429 447 LYS . 51751 1 430 448 SER . 51751 1 431 449 GLN . 51751 1 432 450 ILE . 51751 1 433 451 PHE . 51751 1 434 452 SER . 51751 1 435 453 THR . 51751 1 436 454 ALA . 51751 1 437 455 SER . 51751 1 438 456 ASP . 51751 1 439 457 ASN . 51751 1 440 458 GLN . 51751 1 441 459 PRO . 51751 1 442 460 THR . 51751 1 443 461 VAL . 51751 1 444 462 THR . 51751 1 445 463 ILE . 51751 1 446 464 LYS . 51751 1 447 465 VAL . 51751 1 448 466 TYR . 51751 1 449 467 GLU . 51751 1 450 468 GLY . 51751 1 451 469 GLU . 51751 1 452 470 ARG . 51751 1 453 471 PRO . 51751 1 454 472 LEU . 51751 1 455 473 THR . 51751 1 456 474 LYS . 51751 1 457 475 ASP . 51751 1 458 476 ASN . 51751 1 459 477 HIS . 51751 1 460 478 LEU . 51751 1 461 479 LEU . 51751 1 462 480 GLY . 51751 1 463 481 THR . 51751 1 464 482 PHE . 51751 1 465 483 ASP . 51751 1 466 484 LEU . 51751 1 467 485 THR . 51751 1 468 486 GLY . 51751 1 469 487 ILE . 51751 1 470 488 PRO . 51751 1 471 489 PRO . 51751 1 472 490 ALA . 51751 1 473 491 PRO . 51751 1 474 492 ARG . 51751 1 475 493 GLY . 51751 1 476 494 VAL . 51751 1 477 495 PRO . 51751 1 478 496 GLN . 51751 1 479 497 ILE . 51751 1 480 498 GLU . 51751 1 481 499 VAL . 51751 1 482 500 THR . 51751 1 483 501 PHE . 51751 1 484 502 GLU . 51751 1 485 503 ILE . 51751 1 486 504 ASP . 51751 1 487 505 VAL . 51751 1 488 506 ASN . 51751 1 489 507 GLY . 51751 1 490 508 ILE . 51751 1 491 509 LEU . 51751 1 492 510 ARG . 51751 1 493 511 VAL . 51751 1 494 512 THR . 51751 1 495 513 ALA . 51751 1 496 514 GLU . 51751 1 497 515 ASP . 51751 1 498 516 LYS . 51751 1 499 517 GLY . 51751 1 500 518 THR . 51751 1 501 519 GLY . 51751 1 502 520 ASN . 51751 1 503 521 LYS . 51751 1 504 522 ASN . 51751 1 505 523 LYS . 51751 1 506 524 ILE . 51751 1 507 525 THR . 51751 1 508 526 ILE . 51751 1 509 527 THR . 51751 1 510 528 ASN . 51751 1 511 529 ASP . 51751 1 512 530 GLN . 51751 1 513 531 ASN . 51751 1 514 532 ARG . 51751 1 515 533 LEU . 51751 1 516 534 THR . 51751 1 517 535 PRO . 51751 1 518 536 GLU . 51751 1 519 537 GLU . 51751 1 520 538 ILE . 51751 1 521 539 GLU . 51751 1 522 540 ARG . 51751 1 523 541 MET . 51751 1 524 542 VAL . 51751 1 525 543 ASN . 51751 1 526 544 ASP . 51751 1 527 545 ALA . 51751 1 528 546 GLU . 51751 1 529 547 LYS . 51751 1 530 548 PHE . 51751 1 531 549 ALA . 51751 1 532 550 GLU . 51751 1 533 551 GLU . 51751 1 534 552 ASP . 51751 1 535 553 LYS . 51751 1 536 554 LYS . 51751 1 537 555 LEU . 51751 1 538 556 LYS . 51751 1 539 557 GLU . 51751 1 540 558 ARG . 51751 1 541 559 ILE . 51751 1 542 560 ASP . 51751 1 543 561 THR . 51751 1 544 562 ARG . 51751 1 545 563 ASN . 51751 1 546 564 GLU . 51751 1 547 565 LEU . 51751 1 548 566 GLU . 51751 1 549 567 SER . 51751 1 550 568 TYR . 51751 1 551 569 ALA . 51751 1 552 570 TYR . 51751 1 553 571 SER . 51751 1 554 572 LEU . 51751 1 555 573 LYS . 51751 1 556 574 ASN . 51751 1 557 575 GLN . 51751 1 558 576 ILE . 51751 1 559 577 GLY . 51751 1 560 578 ASP . 51751 1 561 579 LYS . 51751 1 562 580 GLU . 51751 1 563 581 LYS . 51751 1 564 582 LEU . 51751 1 565 583 GLY . 51751 1 566 584 GLY . 51751 1 567 585 LYS . 51751 1 568 586 LEU . 51751 1 569 587 SER . 51751 1 570 588 SER . 51751 1 571 589 GLU . 51751 1 572 590 ASP . 51751 1 573 591 LYS . 51751 1 574 592 GLU . 51751 1 575 593 THR . 51751 1 576 594 MET . 51751 1 577 595 GLU . 51751 1 578 596 LYS . 51751 1 579 597 ALA . 51751 1 580 598 VAL . 51751 1 581 599 GLU . 51751 1 582 600 GLU . 51751 1 583 601 LYS . 51751 1 584 602 ILE . 51751 1 585 603 GLU . 51751 1 586 604 TRP . 51751 1 587 605 LEU . 51751 1 588 606 GLU . 51751 1 589 607 SER . 51751 1 590 608 HIS . 51751 1 591 609 GLN . 51751 1 592 610 ASP . 51751 1 593 611 ALA . 51751 1 594 612 ASP . 51751 1 595 613 ILE . 51751 1 596 614 GLU . 51751 1 597 615 ASP . 51751 1 598 616 PHE . 51751 1 599 617 LYS . 51751 1 600 618 ALA . 51751 1 601 619 LYS . 51751 1 602 620 LYS . 51751 1 603 621 LYS . 51751 1 604 622 GLU . 51751 1 605 623 LEU . 51751 1 606 624 GLU . 51751 1 607 625 GLU . 51751 1 608 626 ILE . 51751 1 609 627 VAL . 51751 1 610 628 GLN . 51751 1 611 629 PRO . 51751 1 612 630 ILE . 51751 1 613 631 ILE . 51751 1 614 632 SER . 51751 1 615 633 LYS . 51751 1 616 634 LEU . 51751 1 617 635 TYR . 51751 1 618 636 GLY . 51751 1 619 637 SER . 51751 1 620 638 ALA . 51751 1 621 639 GLY . 51751 1 622 640 PRO . 51751 1 623 641 PRO . 51751 1 624 642 PRO . 51751 1 625 643 THR . 51751 1 626 644 GLY . 51751 1 627 645 GLU . 51751 1 628 646 GLU . 51751 1 629 647 ASP . 51751 1 630 648 THR . 51751 1 631 649 ALA . 51751 1 632 650 GLU . 51751 1 633 651 LYS . 51751 1 634 652 ASP . 51751 1 635 653 GLU . 51751 1 636 654 LEU . 51751 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 . GLU 1 1 51751 1 . GLU 2 2 51751 1 . GLU 3 3 51751 1 . ASP 4 4 51751 1 . LYS 5 5 51751 1 . LYS 6 6 51751 1 . GLU 7 7 51751 1 . ASP 8 8 51751 1 . VAL 9 9 51751 1 . GLY 10 10 51751 1 . THR 11 11 51751 1 . VAL 12 12 51751 1 . VAL 13 13 51751 1 . GLY 14 14 51751 1 . ILE 15 15 51751 1 . ASP 16 16 51751 1 . LEU 17 17 51751 1 . GLY 18 18 51751 1 . THR 19 19 51751 1 . THR 20 20 51751 1 . TYR 21 21 51751 1 . SER 22 22 51751 1 . CYS 23 23 51751 1 . VAL 24 24 51751 1 . GLY 25 25 51751 1 . VAL 26 26 51751 1 . PHE 27 27 51751 1 . LYS 28 28 51751 1 . ASN 29 29 51751 1 . GLY 30 30 51751 1 . ARG 31 31 51751 1 . VAL 32 32 51751 1 . GLU 33 33 51751 1 . ILE 34 34 51751 1 . ILE 35 35 51751 1 . ALA 36 36 51751 1 . ASN 37 37 51751 1 . ASP 38 38 51751 1 . GLN 39 39 51751 1 . GLY 40 40 51751 1 . ASN 41 41 51751 1 . ARG 42 42 51751 1 . ILE 43 43 51751 1 . THR 44 44 51751 1 . PRO 45 45 51751 1 . SER 46 46 51751 1 . TYR 47 47 51751 1 . VAL 48 48 51751 1 . ALA 49 49 51751 1 . PHE 50 50 51751 1 . THR 51 51 51751 1 . PRO 52 52 51751 1 . GLU 53 53 51751 1 . GLY 54 54 51751 1 . GLU 55 55 51751 1 . ARG 56 56 51751 1 . LEU 57 57 51751 1 . ILE 58 58 51751 1 . GLY 59 59 51751 1 . ASP 60 60 51751 1 . ALA 61 61 51751 1 . ALA 62 62 51751 1 . LYS 63 63 51751 1 . ASN 64 64 51751 1 . GLN 65 65 51751 1 . LEU 66 66 51751 1 . THR 67 67 51751 1 . SER 68 68 51751 1 . ASN 69 69 51751 1 . PRO 70 70 51751 1 . GLU 71 71 51751 1 . ASN 72 72 51751 1 . THR 73 73 51751 1 . VAL 74 74 51751 1 . PHE 75 75 51751 1 . ASP 76 76 51751 1 . ALA 77 77 51751 1 . LYS 78 78 51751 1 . ARG 79 79 51751 1 . LEU 80 80 51751 1 . ILE 81 81 51751 1 . GLY 82 82 51751 1 . ARG 83 83 51751 1 . THR 84 84 51751 1 . TRP 85 85 51751 1 . ASN 86 86 51751 1 . ASP 87 87 51751 1 . PRO 88 88 51751 1 . SER 89 89 51751 1 . VAL 90 90 51751 1 . GLN 91 91 51751 1 . GLN 92 92 51751 1 . ASP 93 93 51751 1 . ILE 94 94 51751 1 . LYS 95 95 51751 1 . PHE 96 96 51751 1 . LEU 97 97 51751 1 . PRO 98 98 51751 1 . PHE 99 99 51751 1 . LYS 100 100 51751 1 . VAL 101 101 51751 1 . VAL 102 102 51751 1 . GLU 103 103 51751 1 . LYS 104 104 51751 1 . LYS 105 105 51751 1 . THR 106 106 51751 1 . LYS 107 107 51751 1 . PRO 108 108 51751 1 . TYR 109 109 51751 1 . ILE 110 110 51751 1 . GLN 111 111 51751 1 . VAL 112 112 51751 1 . ASP 113 113 51751 1 . ILE 114 114 51751 1 . GLY 115 115 51751 1 . GLY 116 116 51751 1 . GLY 117 117 51751 1 . GLN 118 118 51751 1 . THR 119 119 51751 1 . LYS 120 120 51751 1 . THR 121 121 51751 1 . PHE 122 122 51751 1 . ALA 123 123 51751 1 . PRO 124 124 51751 1 . GLU 125 125 51751 1 . GLU 126 126 51751 1 . ILE 127 127 51751 1 . SER 128 128 51751 1 . ALA 129 129 51751 1 . MET 130 130 51751 1 . VAL 131 131 51751 1 . LEU 132 132 51751 1 . THR 133 133 51751 1 . LYS 134 134 51751 1 . MET 135 135 51751 1 . LYS 136 136 51751 1 . GLU 137 137 51751 1 . THR 138 138 51751 1 . ALA 139 139 51751 1 . GLU 140 140 51751 1 . ALA 141 141 51751 1 . TYR 142 142 51751 1 . LEU 143 143 51751 1 . GLY 144 144 51751 1 . LYS 145 145 51751 1 . LYS 146 146 51751 1 . VAL 147 147 51751 1 . THR 148 148 51751 1 . HIS 149 149 51751 1 . ALA 150 150 51751 1 . VAL 151 151 51751 1 . VAL 152 152 51751 1 . THR 153 153 51751 1 . VAL 154 154 51751 1 . PRO 155 155 51751 1 . ALA 156 156 51751 1 . TYR 157 157 51751 1 . PHE 158 158 51751 1 . ASN 159 159 51751 1 . ASP 160 160 51751 1 . ALA 161 161 51751 1 . GLN 162 162 51751 1 . ARG 163 163 51751 1 . GLN 164 164 51751 1 . ALA 165 165 51751 1 . THR 166 166 51751 1 . LYS 167 167 51751 1 . ASP 168 168 51751 1 . ALA 169 169 51751 1 . GLY 170 170 51751 1 . THR 171 171 51751 1 . ILE 172 172 51751 1 . ALA 173 173 51751 1 . GLY 174 174 51751 1 . LEU 175 175 51751 1 . ASN 176 176 51751 1 . VAL 177 177 51751 1 . MET 178 178 51751 1 . ARG 179 179 51751 1 . ILE 180 180 51751 1 . ILE 181 181 51751 1 . ASN 182 182 51751 1 . GLU 183 183 51751 1 . PRO 184 184 51751 1 . THR 185 185 51751 1 . ALA 186 186 51751 1 . ALA 187 187 51751 1 . ALA 188 188 51751 1 . ILE 189 189 51751 1 . ALA 190 190 51751 1 . TYR 191 191 51751 1 . GLY 192 192 51751 1 . LEU 193 193 51751 1 . ASP 194 194 51751 1 . LYS 195 195 51751 1 . ARG 196 196 51751 1 . GLU 197 197 51751 1 . GLY 198 198 51751 1 . GLU 199 199 51751 1 . LYS 200 200 51751 1 . ASN 201 201 51751 1 . ILE 202 202 51751 1 . LEU 203 203 51751 1 . VAL 204 204 51751 1 . PHE 205 205 51751 1 . ASP 206 206 51751 1 . LEU 207 207 51751 1 . GLY 208 208 51751 1 . GLY 209 209 51751 1 . GLY 210 210 51751 1 . THR 211 211 51751 1 . PHE 212 212 51751 1 . ASP 213 213 51751 1 . VAL 214 214 51751 1 . SER 215 215 51751 1 . LEU 216 216 51751 1 . LEU 217 217 51751 1 . THR 218 218 51751 1 . ILE 219 219 51751 1 . ASP 220 220 51751 1 . ASN 221 221 51751 1 . GLY 222 222 51751 1 . VAL 223 223 51751 1 . PHE 224 224 51751 1 . GLU 225 225 51751 1 . VAL 226 226 51751 1 . VAL 227 227 51751 1 . ALA 228 228 51751 1 . THR 229 229 51751 1 . ASN 230 230 51751 1 . GLY 231 231 51751 1 . ASP 232 232 51751 1 . THR 233 233 51751 1 . HIS 234 234 51751 1 . LEU 235 235 51751 1 . GLY 236 236 51751 1 . GLY 237 237 51751 1 . GLU 238 238 51751 1 . ASP 239 239 51751 1 . PHE 240 240 51751 1 . ASP 241 241 51751 1 . GLN 242 242 51751 1 . ARG 243 243 51751 1 . VAL 244 244 51751 1 . MET 245 245 51751 1 . GLU 246 246 51751 1 . HIS 247 247 51751 1 . PHE 248 248 51751 1 . ILE 249 249 51751 1 . LYS 250 250 51751 1 . LEU 251 251 51751 1 . TYR 252 252 51751 1 . LYS 253 253 51751 1 . LYS 254 254 51751 1 . LYS 255 255 51751 1 . THR 256 256 51751 1 . GLY 257 257 51751 1 . LYS 258 258 51751 1 . ASP 259 259 51751 1 . VAL 260 260 51751 1 . ARG 261 261 51751 1 . LYS 262 262 51751 1 . ASP 263 263 51751 1 . ASN 264 264 51751 1 . ARG 265 265 51751 1 . ALA 266 266 51751 1 . VAL 267 267 51751 1 . GLN 268 268 51751 1 . LYS 269 269 51751 1 . LEU 270 270 51751 1 . ARG 271 271 51751 1 . ARG 272 272 51751 1 . GLU 273 273 51751 1 . VAL 274 274 51751 1 . GLU 275 275 51751 1 . LYS 276 276 51751 1 . ALA 277 277 51751 1 . LYS 278 278 51751 1 . ARG 279 279 51751 1 . ALA 280 280 51751 1 . LEU 281 281 51751 1 . SER 282 282 51751 1 . SER 283 283 51751 1 . GLN 284 284 51751 1 . HIS 285 285 51751 1 . GLN 286 286 51751 1 . ALA 287 287 51751 1 . ARG 288 288 51751 1 . ILE 289 289 51751 1 . GLU 290 290 51751 1 . ILE 291 291 51751 1 . GLU 292 292 51751 1 . SER 293 293 51751 1 . PHE 294 294 51751 1 . TYR 295 295 51751 1 . GLU 296 296 51751 1 . GLY 297 297 51751 1 . GLU 298 298 51751 1 . ASP 299 299 51751 1 . PHE 300 300 51751 1 . SER 301 301 51751 1 . GLU 302 302 51751 1 . THR 303 303 51751 1 . LEU 304 304 51751 1 . THR 305 305 51751 1 . ARG 306 306 51751 1 . ALA 307 307 51751 1 . LYS 308 308 51751 1 . PHE 309 309 51751 1 . GLU 310 310 51751 1 . GLU 311 311 51751 1 . LEU 312 312 51751 1 . ASN 313 313 51751 1 . MET 314 314 51751 1 . ASP 315 315 51751 1 . LEU 316 316 51751 1 . PHE 317 317 51751 1 . ARG 318 318 51751 1 . SER 319 319 51751 1 . THR 320 320 51751 1 . MET 321 321 51751 1 . LYS 322 322 51751 1 . PRO 323 323 51751 1 . VAL 324 324 51751 1 . GLN 325 325 51751 1 . LYS 326 326 51751 1 . VAL 327 327 51751 1 . LEU 328 328 51751 1 . GLU 329 329 51751 1 . ASP 330 330 51751 1 . SER 331 331 51751 1 . ASP 332 332 51751 1 . LEU 333 333 51751 1 . LYS 334 334 51751 1 . LYS 335 335 51751 1 . SER 336 336 51751 1 . ASP 337 337 51751 1 . ILE 338 338 51751 1 . ASP 339 339 51751 1 . GLU 340 340 51751 1 . ILE 341 341 51751 1 . VAL 342 342 51751 1 . LEU 343 343 51751 1 . VAL 344 344 51751 1 . GLY 345 345 51751 1 . GLY 346 346 51751 1 . SER 347 347 51751 1 . THR 348 348 51751 1 . ARG 349 349 51751 1 . ILE 350 350 51751 1 . PRO 351 351 51751 1 . LYS 352 352 51751 1 . ILE 353 353 51751 1 . GLN 354 354 51751 1 . GLN 355 355 51751 1 . LEU 356 356 51751 1 . VAL 357 357 51751 1 . LYS 358 358 51751 1 . GLU 359 359 51751 1 . PHE 360 360 51751 1 . PHE 361 361 51751 1 . ASN 362 362 51751 1 . GLY 363 363 51751 1 . LYS 364 364 51751 1 . GLU 365 365 51751 1 . PRO 366 366 51751 1 . SER 367 367 51751 1 . ARG 368 368 51751 1 . GLY 369 369 51751 1 . ILE 370 370 51751 1 . ASN 371 371 51751 1 . PRO 372 372 51751 1 . ASP 373 373 51751 1 . GLU 374 374 51751 1 . ALA 375 375 51751 1 . VAL 376 376 51751 1 . ALA 377 377 51751 1 . TYR 378 378 51751 1 . GLY 379 379 51751 1 . ALA 380 380 51751 1 . ALA 381 381 51751 1 . VAL 382 382 51751 1 . GLN 383 383 51751 1 . ALA 384 384 51751 1 . GLY 385 385 51751 1 . VAL 386 386 51751 1 . LEU 387 387 51751 1 . SER 388 388 51751 1 . GLY 389 389 51751 1 . ASP 390 390 51751 1 . GLN 391 391 51751 1 . ASP 392 392 51751 1 . THR 393 393 51751 1 . GLY 394 394 51751 1 . ASP 395 395 51751 1 . LEU 396 396 51751 1 . VAL 397 397 51751 1 . LEU 398 398 51751 1 . LEU 399 399 51751 1 . ASP 400 400 51751 1 . VAL 401 401 51751 1 . CYS 402 402 51751 1 . PRO 403 403 51751 1 . LEU 404 404 51751 1 . THR 405 405 51751 1 . LEU 406 406 51751 1 . GLY 407 407 51751 1 . ILE 408 408 51751 1 . GLU 409 409 51751 1 . THR 410 410 51751 1 . VAL 411 411 51751 1 . GLY 412 412 51751 1 . GLY 413 413 51751 1 . VAL 414 414 51751 1 . MET 415 415 51751 1 . THR 416 416 51751 1 . LYS 417 417 51751 1 . LEU 418 418 51751 1 . ILE 419 419 51751 1 . PRO 420 420 51751 1 . ARG 421 421 51751 1 . ASN 422 422 51751 1 . THR 423 423 51751 1 . VAL 424 424 51751 1 . VAL 425 425 51751 1 . PRO 426 426 51751 1 . THR 427 427 51751 1 . LYS 428 428 51751 1 . LYS 429 429 51751 1 . SER 430 430 51751 1 . GLN 431 431 51751 1 . ILE 432 432 51751 1 . PHE 433 433 51751 1 . SER 434 434 51751 1 . THR 435 435 51751 1 . ALA 436 436 51751 1 . SER 437 437 51751 1 . ASP 438 438 51751 1 . ASN 439 439 51751 1 . GLN 440 440 51751 1 . PRO 441 441 51751 1 . THR 442 442 51751 1 . VAL 443 443 51751 1 . THR 444 444 51751 1 . ILE 445 445 51751 1 . LYS 446 446 51751 1 . VAL 447 447 51751 1 . TYR 448 448 51751 1 . GLU 449 449 51751 1 . GLY 450 450 51751 1 . GLU 451 451 51751 1 . ARG 452 452 51751 1 . PRO 453 453 51751 1 . LEU 454 454 51751 1 . THR 455 455 51751 1 . LYS 456 456 51751 1 . ASP 457 457 51751 1 . ASN 458 458 51751 1 . HIS 459 459 51751 1 . LEU 460 460 51751 1 . LEU 461 461 51751 1 . GLY 462 462 51751 1 . THR 463 463 51751 1 . PHE 464 464 51751 1 . ASP 465 465 51751 1 . LEU 466 466 51751 1 . THR 467 467 51751 1 . GLY 468 468 51751 1 . ILE 469 469 51751 1 . PRO 470 470 51751 1 . PRO 471 471 51751 1 . ALA 472 472 51751 1 . PRO 473 473 51751 1 . ARG 474 474 51751 1 . GLY 475 475 51751 1 . VAL 476 476 51751 1 . PRO 477 477 51751 1 . GLN 478 478 51751 1 . ILE 479 479 51751 1 . GLU 480 480 51751 1 . VAL 481 481 51751 1 . THR 482 482 51751 1 . PHE 483 483 51751 1 . GLU 484 484 51751 1 . ILE 485 485 51751 1 . ASP 486 486 51751 1 . VAL 487 487 51751 1 . ASN 488 488 51751 1 . GLY 489 489 51751 1 . ILE 490 490 51751 1 . LEU 491 491 51751 1 . ARG 492 492 51751 1 . VAL 493 493 51751 1 . THR 494 494 51751 1 . ALA 495 495 51751 1 . GLU 496 496 51751 1 . ASP 497 497 51751 1 . LYS 498 498 51751 1 . GLY 499 499 51751 1 . THR 500 500 51751 1 . GLY 501 501 51751 1 . ASN 502 502 51751 1 . LYS 503 503 51751 1 . ASN 504 504 51751 1 . LYS 505 505 51751 1 . ILE 506 506 51751 1 . THR 507 507 51751 1 . ILE 508 508 51751 1 . THR 509 509 51751 1 . ASN 510 510 51751 1 . ASP 511 511 51751 1 . GLN 512 512 51751 1 . ASN 513 513 51751 1 . ARG 514 514 51751 1 . LEU 515 515 51751 1 . THR 516 516 51751 1 . PRO 517 517 51751 1 . GLU 518 518 51751 1 . GLU 519 519 51751 1 . ILE 520 520 51751 1 . GLU 521 521 51751 1 . ARG 522 522 51751 1 . MET 523 523 51751 1 . VAL 524 524 51751 1 . ASN 525 525 51751 1 . ASP 526 526 51751 1 . ALA 527 527 51751 1 . GLU 528 528 51751 1 . LYS 529 529 51751 1 . PHE 530 530 51751 1 . ALA 531 531 51751 1 . GLU 532 532 51751 1 . GLU 533 533 51751 1 . ASP 534 534 51751 1 . LYS 535 535 51751 1 . LYS 536 536 51751 1 . LEU 537 537 51751 1 . LYS 538 538 51751 1 . GLU 539 539 51751 1 . ARG 540 540 51751 1 . ILE 541 541 51751 1 . ASP 542 542 51751 1 . THR 543 543 51751 1 . ARG 544 544 51751 1 . ASN 545 545 51751 1 . GLU 546 546 51751 1 . LEU 547 547 51751 1 . GLU 548 548 51751 1 . SER 549 549 51751 1 . TYR 550 550 51751 1 . ALA 551 551 51751 1 . TYR 552 552 51751 1 . SER 553 553 51751 1 . LEU 554 554 51751 1 . LYS 555 555 51751 1 . ASN 556 556 51751 1 . GLN 557 557 51751 1 . ILE 558 558 51751 1 . GLY 559 559 51751 1 . ASP 560 560 51751 1 . LYS 561 561 51751 1 . GLU 562 562 51751 1 . LYS 563 563 51751 1 . LEU 564 564 51751 1 . GLY 565 565 51751 1 . GLY 566 566 51751 1 . LYS 567 567 51751 1 . LEU 568 568 51751 1 . SER 569 569 51751 1 . SER 570 570 51751 1 . GLU 571 571 51751 1 . ASP 572 572 51751 1 . LYS 573 573 51751 1 . GLU 574 574 51751 1 . THR 575 575 51751 1 . MET 576 576 51751 1 . GLU 577 577 51751 1 . LYS 578 578 51751 1 . ALA 579 579 51751 1 . VAL 580 580 51751 1 . GLU 581 581 51751 1 . GLU 582 582 51751 1 . LYS 583 583 51751 1 . ILE 584 584 51751 1 . GLU 585 585 51751 1 . TRP 586 586 51751 1 . LEU 587 587 51751 1 . GLU 588 588 51751 1 . SER 589 589 51751 1 . HIS 590 590 51751 1 . GLN 591 591 51751 1 . ASP 592 592 51751 1 . ALA 593 593 51751 1 . ASP 594 594 51751 1 . ILE 595 595 51751 1 . GLU 596 596 51751 1 . ASP 597 597 51751 1 . PHE 598 598 51751 1 . LYS 599 599 51751 1 . ALA 600 600 51751 1 . LYS 601 601 51751 1 . LYS 602 602 51751 1 . LYS 603 603 51751 1 . GLU 604 604 51751 1 . LEU 605 605 51751 1 . GLU 606 606 51751 1 . GLU 607 607 51751 1 . ILE 608 608 51751 1 . VAL 609 609 51751 1 . GLN 610 610 51751 1 . PRO 611 611 51751 1 . ILE 612 612 51751 1 . ILE 613 613 51751 1 . SER 614 614 51751 1 . LYS 615 615 51751 1 . LEU 616 616 51751 1 . TYR 617 617 51751 1 . GLY 618 618 51751 1 . SER 619 619 51751 1 . ALA 620 620 51751 1 . GLY 621 621 51751 1 . PRO 622 622 51751 1 . PRO 623 623 51751 1 . PRO 624 624 51751 1 . THR 625 625 51751 1 . GLY 626 626 51751 1 . GLU 627 627 51751 1 . GLU 628 628 51751 1 . ASP 629 629 51751 1 . THR 630 630 51751 1 . ALA 631 631 51751 1 . GLU 632 632 51751 1 . LYS 633 633 51751 1 . ASP 634 634 51751 1 . GLU 635 635 51751 1 . LEU 636 636 51751 1 stop_ save_ save_entity_ATP _Entity.Sf_category entity _Entity.Sf_framecode entity_ATP _Entity.Entry_ID 51751 _Entity.ID 2 _Entity.BMRB_code ATP _Entity.Name entity_ATP _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ATP _Entity.Nonpolymer_comp_label $chem_comp_ATP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 507.181 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ADENOSINE-5'-TRIPHOSPHATE BMRB 51751 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID ADENOSINE-5'-TRIPHOSPHATE BMRB 51751 2 ATP 'Three letter code' 51751 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ATP $chem_comp_ATP 51751 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51751 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51751 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51751 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pet28a . . . 51751 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ATP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ATP _Chem_comp.Entry_ID 51751 _Chem_comp.ID ATP _Chem_comp.Provenance PDB _Chem_comp.Name ADENOSINE-5'-TRIPHOSPHATE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ATP _Chem_comp.PDB_code ATP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ATP _Chem_comp.Number_atoms_all 47 _Chem_comp.Number_atoms_nh 31 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 ; _Chem_comp.Mon_nstd_flag no _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 . _Chem_comp.Aromatic no _Chem_comp.Formula 'C10 H16 N5 O13 P3' _Chem_comp.Formula_weight 507.181 _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 1B0U _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _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 ; InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 ; InChI InChI 1.03 51751 ATP Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 51751 ATP Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 51751 ATP O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O SMILES ACDLabs 10.04 51751 ATP ZKHQWZAMYRWXGA-KQYNXXCUSA-N InChIKey InChI 1.03 51751 ATP c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 51751 ATP c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 51751 ATP 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 '[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 51751 ATP "adenosine 5'-(tetrahydrogen triphosphate)" 'SYSTEMATIC NAME' ACDLabs 10.04 51751 ATP 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 PG PG PG PG . P . . N 0 . . . 1 N N . . . . 46.107 . 45.182 . 56.950 . 1.200 -0.226 -6.850 1 . 51751 ATP O1G O1G O1G O1G . O . . N 0 . . . 1 N N . . . . 45.779 . 46.330 . 56.052 . 1.740 1.140 -6.672 2 . 51751 ATP O2G O2G O2G O2G . O . . N 0 . . . 1 N N . . . . 47.382 . 44.497 . 56.626 . 2.123 -1.036 -7.891 3 . 51751 ATP O3G O3G O3G O3G . O . . N 0 . . . 1 N N . . . . 45.972 . 45.530 . 58.375 . -0.302 -0.139 -7.421 4 . 51751 ATP PB PB PB PB . P . . R 0 . . . 1 N N . . . . 43.911 . 43.740 . 55.655 . 0.255 -0.130 -4.446 5 . 51751 ATP O1B O1B O1B O1B . O . . N 0 . . . 1 N N . . . . 42.975 . 42.722 . 55.986 . 0.810 1.234 -4.304 6 . 51751 ATP O2B O2B O2B O2B . O . . N 0 . . . 1 N N . . . . 43.603 . 44.767 . 54.678 . -1.231 -0.044 -5.057 7 . 51751 ATP O3B O3B O3B O3B . O . . N 0 . . . 1 N N . . . . 45.041 . 44.015 . 56.738 . 1.192 -0.990 -5.433 8 . 51751 ATP PA PA PA PA . P . . R 0 . . . 1 N N . . . . 45.228 . 42.669 . 53.257 . -0.745 0.068 -2.071 9 . 51751 ATP O1A O1A O1A O1A . O . . N 0 . . . 1 N N . . . . 46.380 . 43.396 . 52.788 . -2.097 0.143 -2.669 10 . 51751 ATP O2A O2A O2A O2A . O . . N 0 . . . 1 N N . . . . 44.183 . 42.190 . 52.351 . -0.125 1.549 -1.957 11 . 51751 ATP O3A O3A O3A O3A . O . . N 0 . . . 1 N N . . . . 44.917 . 42.716 . 54.789 . 0.203 -0.840 -3.002 12 . 51751 ATP O5' O5' O5' O5* . O . . N 0 . . . 1 N N . . . . 46.172 . 41.568 . 53.302 . -0.844 -0.587 -0.604 13 . 51751 ATP C5' C5' C5' C5* . C . . N 0 . . . 1 N N . . . . 46.609 . 40.422 . 53.542 . -1.694 0.260 0.170 14 . 51751 ATP C4' C4' C4' C4* . C . . R 0 . . . 1 N N . . . . 46.520 . 38.989 . 53.364 . -1.831 -0.309 1.584 15 . 51751 ATP O4' O4' O4' O4* . O . . N 0 . . . 1 N N . . . . 46.785 . 38.908 . 51.948 . -0.542 -0.355 2.234 16 . 51751 ATP C3' C3' C3' C3* . C . . S 0 . . . 1 N N . . . . 47.808 . 38.874 . 54.112 . -2.683 0.630 2.465 17 . 51751 ATP O3' O3' O3' O3* . O . . N 0 . . . 1 N N . . . . 47.713 . 38.357 . 55.423 . -4.033 0.165 2.534 18 . 51751 ATP C2' C2' C2' C2* . C . . R 0 . . . 1 N N . . . . 48.719 . 38.116 . 53.139 . -2.011 0.555 3.856 19 . 51751 ATP O2' O2' O2' O2* . O . . N 0 . . . 1 N N . . . . 48.632 . 36.737 . 53.425 . -2.926 0.043 4.827 20 . 51751 ATP C1' C1' C1' C1* . C . . R 0 . . . 1 N N . . . . 48.133 . 38.409 . 51.721 . -0.830 -0.418 3.647 21 . 51751 ATP N9 N9 N9 N9 . N . . N 0 . . . 1 Y N . . . . 48.846 . 39.464 . 50.986 . 0.332 0.015 4.425 22 . 51751 ATP C8 C8 C8 C8 . C . . N 0 . . . 1 Y N . . . . 48.616 . 40.842 . 50.945 . 1.302 0.879 4.012 23 . 51751 ATP N7 N7 N7 N7 . N . . N 0 . . . 1 Y N . . . . 49.425 . 41.489 . 50.165 . 2.184 1.042 4.955 24 . 51751 ATP C5 C5 C5 C5 . C . . N 0 . . . 1 Y N . . . . 50.232 . 40.470 . 49.664 . 1.833 0.300 6.033 25 . 51751 ATP C6 C6 C6 C6 . C . . N 0 . . . 1 Y N . . . . 51.308 . 40.466 . 48.731 . 2.391 0.077 7.303 26 . 51751 ATP N6 N6 N6 N6 . N . . N 0 . . . 1 N N . . . . 51.721 . 41.568 . 48.129 . 3.564 0.706 7.681 27 . 51751 ATP N1 N1 N1 N1 . N . . N 0 . . . 1 Y N . . . . 51.912 . 39.274 . 48.447 . 1.763 -0.747 8.135 28 . 51751 ATP C2 C2 C2 C2 . C . . N 0 . . . 1 Y N . . . . 51.493 . 38.151 . 49.029 . 0.644 -1.352 7.783 29 . 51751 ATP N3 N3 N3 N3 . N . . N 0 . . . 1 Y N . . . . 50.491 . 38.016 . 49.900 . 0.088 -1.178 6.602 30 . 51751 ATP C4 C4 C4 C4 . C . . N 0 . . . 1 Y N . . . . 49.892 . 39.253 . 50.171 . 0.644 -0.371 5.704 31 . 51751 ATP HOG2 HOG2 HOG2 2HOG . H . . N 0 . . . 0 N N . . . . 47.590 . 43.767 . 57.197 . 2.100 -0.546 -8.725 32 . 51751 ATP HOG3 HOG3 HOG3 3HOG . H . . N 0 . . . 0 N N . . . . 46.180 . 44.800 . 58.946 . -0.616 -1.048 -7.522 33 . 51751 ATP HOB2 HOB2 HOB2 2HOB . H . . N 0 . . . 0 N N . . . . 44.228 . 45.447 . 54.456 . -1.554 -0.952 -5.132 34 . 51751 ATP HOA2 HOA2 HOA2 2HOA . H . . N 0 . . . 0 N N . . . . 43.423 . 41.710 . 52.660 . 0.752 1.455 -1.563 35 . 51751 ATP H5'1 H5'1 H5'1 1H5* . H . . N 0 . . . 0 N N . . . . 47.666 . 40.570 . 53.221 . -2.678 0.312 -0.296 36 . 51751 ATP H5'2 H5'2 H5'2 2H5* . H . . N 0 . . . 0 N N . . . . 46.587 . 40.459 . 54.656 . -1.263 1.259 0.221 37 . 51751 ATP H4' H4' H4' H4* . H . . N 0 . . . 1 N N . . . . 45.665 . 38.327 . 53.639 . -2.275 -1.304 1.550 38 . 51751 ATP H3' H3' H3' H3* . H . . N 0 . . . 1 N N . . . . 48.234 . 39.870 . 54.375 . -2.651 1.649 2.078 39 . 51751 ATP HO3' HO3' HO3' *HO3 . H . . N 0 . . . 0 N N . . . . 48.532 . 38.283 . 55.898 . -4.515 0.788 3.094 40 . 51751 ATP H2' H2' H2' H2* . H . . N 0 . . . 1 N N . . . . 49.788 . 38.422 . 53.212 . -1.646 1.537 4.157 41 . 51751 ATP HO2' HO2' HO2' *HO2 . H . . N 0 . . . 0 N N . . . . 49.196 . 36.267 . 52.822 . -3.667 0.662 4.867 42 . 51751 ATP H1' H1' H1' H1* . H . . N 0 . . . 1 N N . . . . 48.203 . 37.474 . 51.117 . -1.119 -1.430 3.931 43 . 51751 ATP H8 H8 H8 H8 . H . . N 0 . . . 1 N N . . . . 47.836 . 41.390 . 51.499 . 1.334 1.357 3.044 44 . 51751 ATP HN61 HN61 HN61 1HN6 . H . . N 0 . . . 0 N N . . . . 52.491 . 41.565 . 47.460 . 3.938 0.548 8.562 45 . 51751 ATP HN62 HN62 HN62 2HN6 . H . . N 0 . . . 0 N N . . . . 51.940 . 42.252 . 48.852 . 4.015 1.303 7.064 46 . 51751 ATP H2 H2 H2 H2 . H . . N 0 . . . 1 N N . . . . 52.036 . 37.229 . 48.759 . 0.166 -2.014 8.490 47 . 51751 ATP 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 PG O1G N N 1 . 51751 ATP 2 . SING PG O2G N N 2 . 51751 ATP 3 . SING PG O3G N N 3 . 51751 ATP 4 . SING PG O3B N N 4 . 51751 ATP 5 . SING O2G HOG2 N N 5 . 51751 ATP 6 . SING O3G HOG3 N N 6 . 51751 ATP 7 . DOUB PB O1B N N 7 . 51751 ATP 8 . SING PB O2B N N 8 . 51751 ATP 9 . SING PB O3B N N 9 . 51751 ATP 10 . SING PB O3A N N 10 . 51751 ATP 11 . SING O2B HOB2 N N 11 . 51751 ATP 12 . DOUB PA O1A N N 12 . 51751 ATP 13 . SING PA O2A N N 13 . 51751 ATP 14 . SING PA O3A N N 14 . 51751 ATP 15 . SING PA O5' N N 15 . 51751 ATP 16 . SING O2A HOA2 N N 16 . 51751 ATP 17 . SING O5' C5' N N 17 . 51751 ATP 18 . SING C5' C4' N N 18 . 51751 ATP 19 . SING C5' H5'1 N N 19 . 51751 ATP 20 . SING C5' H5'2 N N 20 . 51751 ATP 21 . SING C4' O4' N N 21 . 51751 ATP 22 . SING C4' C3' N N 22 . 51751 ATP 23 . SING C4' H4' N N 23 . 51751 ATP 24 . SING O4' C1' N N 24 . 51751 ATP 25 . SING C3' O3' N N 25 . 51751 ATP 26 . SING C3' C2' N N 26 . 51751 ATP 27 . SING C3' H3' N N 27 . 51751 ATP 28 . SING O3' HO3' N N 28 . 51751 ATP 29 . SING C2' O2' N N 29 . 51751 ATP 30 . SING C2' C1' N N 30 . 51751 ATP 31 . SING C2' H2' N N 31 . 51751 ATP 32 . SING O2' HO2' N N 32 . 51751 ATP 33 . SING C1' N9 N N 33 . 51751 ATP 34 . SING C1' H1' N N 34 . 51751 ATP 35 . SING N9 C8 Y N 35 . 51751 ATP 36 . SING N9 C4 Y N 36 . 51751 ATP 37 . DOUB C8 N7 Y N 37 . 51751 ATP 38 . SING C8 H8 N N 38 . 51751 ATP 39 . SING N7 C5 Y N 39 . 51751 ATP 40 . SING C5 C6 Y N 40 . 51751 ATP 41 . DOUB C5 C4 Y N 41 . 51751 ATP 42 . SING C6 N6 N N 42 . 51751 ATP 43 . DOUB C6 N1 Y N 43 . 51751 ATP 44 . SING N6 HN61 N N 44 . 51751 ATP 45 . SING N6 HN62 N N 45 . 51751 ATP 46 . SING N1 C2 Y N 46 . 51751 ATP 47 . DOUB C2 N3 Y N 47 . 51751 ATP 48 . SING C2 H2 N N 48 . 51751 ATP 49 . SING N3 C4 Y N 49 . 51751 ATP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51751 _Sample.ID 1 _Sample.Name 'BiP (Grp78) in cyclo' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'BiP in NMR buffer Hepes 25 mM KCl 150 mM MgCl2 10 mM pD 7.1 Phosphoenol-pyruvate 10 mM; Pyruvate Kinase 3U' _Sample.Aggregate_sample_number 1 _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 'BiP (Grp78)' '[U-13C; U-15N; U-2H; 99% 13C1Hd1-Ile,13C1He-Met, 99% 13C1Hg1/g2-Val]' . . 1 $entity_1 . . 0.1 . . mM . . . . 51751 1 2 ATP 'natural abundance' . . 2 $entity_ATP . . 5 . . mM . . . . 51751 1 3 Hepes 'natural abundance' . . . . . . 25 . . mM . . . . 51751 1 4 KCl 'natural abundance' . . . . . . 150 . . mM . . . . 51751 1 5 MgCl2 'natural abundance' . . . . . . 10 . . mM . . . . 51751 1 6 Phosphoenol-pyruvate 'natural abundance' . . . . . . 10 . . mM . . . . 51751 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 51751 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'BiP in cyclo' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.170 . M 51751 1 pD 7.1 . pH 51751 1 pressure 1 . atm 51751 1 temperature 310 . K 51751 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51751 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 2.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51751 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51751 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51751 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-13C HMQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51751 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51751 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'BiP Grp78' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 51751 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51751 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51751 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'BiP methyl assignment' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HMQC' . . . 51751 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51751 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 9 9 VAL HG11 H 1 0.49146 0.000 . 1 . . . . . 27 VAL MG1 . 51751 1 2 . 1 . 1 9 9 VAL HG12 H 1 0.49146 0.000 . 1 . . . . . 27 VAL MG1 . 51751 1 3 . 1 . 1 9 9 VAL HG13 H 1 0.49146 0.000 . 1 . . . . . 27 VAL MG1 . 51751 1 4 . 1 . 1 9 9 VAL HG21 H 1 0.74565 0.000 . 1 . . . . . 27 VAL MG2 . 51751 1 5 . 1 . 1 9 9 VAL HG22 H 1 0.74565 0.000 . 1 . . . . . 27 VAL MG2 . 51751 1 6 . 1 . 1 9 9 VAL HG23 H 1 0.74565 0.000 . 1 . . . . . 27 VAL MG2 . 51751 1 7 . 1 . 1 9 9 VAL CG1 C 13 20.89375 0.000 . 1 . . . . . 27 VAL CG1 . 51751 1 8 . 1 . 1 9 9 VAL CG2 C 13 19.17539 0.000 . 1 . . . . . 27 VAL CG2 . 51751 1 9 . 1 . 1 12 12 VAL HG11 H 1 1.00556 0.000 . 1 . . . . . 30 VAL MG1 . 51751 1 10 . 1 . 1 12 12 VAL HG12 H 1 1.00556 0.000 . 1 . . . . . 30 VAL MG1 . 51751 1 11 . 1 . 1 12 12 VAL HG13 H 1 1.00556 0.000 . 1 . . . . . 30 VAL MG1 . 51751 1 12 . 1 . 1 12 12 VAL HG21 H 1 0.96096 0.000 . 1 . . . . . 30 VAL MG2 . 51751 1 13 . 1 . 1 12 12 VAL HG22 H 1 0.96096 0.000 . 1 . . . . . 30 VAL MG2 . 51751 1 14 . 1 . 1 12 12 VAL HG23 H 1 0.96096 0.000 . 1 . . . . . 30 VAL MG2 . 51751 1 15 . 1 . 1 12 12 VAL CG1 C 13 21.23496 0.000 . 1 . . . . . 30 VAL CG1 . 51751 1 16 . 1 . 1 12 12 VAL CG2 C 13 21.74499 0.000 . 1 . . . . . 30 VAL CG2 . 51751 1 17 . 1 . 1 13 13 VAL HG11 H 1 1.06249 0.000 . 1 . . . . . 31 VAL MG1 . 51751 1 18 . 1 . 1 13 13 VAL HG12 H 1 1.06249 0.000 . 1 . . . . . 31 VAL MG1 . 51751 1 19 . 1 . 1 13 13 VAL HG13 H 1 1.06249 0.000 . 1 . . . . . 31 VAL MG1 . 51751 1 20 . 1 . 1 13 13 VAL HG21 H 1 1.057 0.000 . 1 . . . . . 31 VAL MG2 . 51751 1 21 . 1 . 1 13 13 VAL HG22 H 1 1.057 0.000 . 1 . . . . . 31 VAL MG2 . 51751 1 22 . 1 . 1 13 13 VAL HG23 H 1 1.057 0.000 . 1 . . . . . 31 VAL MG2 . 51751 1 23 . 1 . 1 13 13 VAL CG1 C 13 22.0866 0.000 . 1 . . . . . 31 VAL CG1 . 51751 1 24 . 1 . 1 13 13 VAL CG2 C 13 21.81681 0.000 . 1 . . . . . 31 VAL CG2 . 51751 1 25 . 1 . 1 15 15 ILE HD11 H 1 0.60847 0.000 . 1 . . . . . 33 ILE MD . 51751 1 26 . 1 . 1 15 15 ILE HD12 H 1 0.60847 0.000 . 1 . . . . . 33 ILE MD . 51751 1 27 . 1 . 1 15 15 ILE HD13 H 1 0.60847 0.000 . 1 . . . . . 33 ILE MD . 51751 1 28 . 1 . 1 15 15 ILE CD1 C 13 13.94193 0.000 . 1 . . . . . 33 ILE CD1 . 51751 1 29 . 1 . 1 26 26 VAL HG11 H 1 1.0622 0.000 . 1 . . . . . 44 VAL MG1 . 51751 1 30 . 1 . 1 26 26 VAL HG12 H 1 1.0622 0.000 . 1 . . . . . 44 VAL MG1 . 51751 1 31 . 1 . 1 26 26 VAL HG13 H 1 1.0622 0.000 . 1 . . . . . 44 VAL MG1 . 51751 1 32 . 1 . 1 26 26 VAL HG21 H 1 1.06559 0.000 . 1 . . . . . 44 VAL MG2 . 51751 1 33 . 1 . 1 26 26 VAL HG22 H 1 1.06559 0.000 . 1 . . . . . 44 VAL MG2 . 51751 1 34 . 1 . 1 26 26 VAL HG23 H 1 1.06559 0.000 . 1 . . . . . 44 VAL MG2 . 51751 1 35 . 1 . 1 26 26 VAL CG1 C 13 20.99658 0.000 . 1 . . . . . 44 VAL CG1 . 51751 1 36 . 1 . 1 26 26 VAL CG2 C 13 21.18802 0.000 . 1 . . . . . 44 VAL CG2 . 51751 1 37 . 1 . 1 32 32 VAL HG11 H 1 0.20695 0.000 . 1 . . . . . 50 VAL MG1 . 51751 1 38 . 1 . 1 32 32 VAL HG12 H 1 0.20695 0.000 . 1 . . . . . 50 VAL MG1 . 51751 1 39 . 1 . 1 32 32 VAL HG13 H 1 0.20695 0.000 . 1 . . . . . 50 VAL MG1 . 51751 1 40 . 1 . 1 32 32 VAL HG21 H 1 0.60119 0.000 . 1 . . . . . 50 VAL MG2 . 51751 1 41 . 1 . 1 32 32 VAL HG22 H 1 0.60119 0.000 . 1 . . . . . 50 VAL MG2 . 51751 1 42 . 1 . 1 32 32 VAL HG23 H 1 0.60119 0.000 . 1 . . . . . 50 VAL MG2 . 51751 1 43 . 1 . 1 32 32 VAL CG1 C 13 21.40166 0.000 . 1 . . . . . 50 VAL CG1 . 51751 1 44 . 1 . 1 32 32 VAL CG2 C 13 23.28113 0.000 . 1 . . . . . 50 VAL CG2 . 51751 1 45 . 1 . 1 34 34 ILE HD11 H 1 0.59223 0.000 . 1 . . . . . 52 ILE MD . 51751 1 46 . 1 . 1 34 34 ILE HD12 H 1 0.59223 0.000 . 1 . . . . . 52 ILE MD . 51751 1 47 . 1 . 1 34 34 ILE HD13 H 1 0.59223 0.000 . 1 . . . . . 52 ILE MD . 51751 1 48 . 1 . 1 34 34 ILE CD1 C 13 8.05748 0.000 . 1 . . . . . 52 ILE CD1 . 51751 1 49 . 1 . 1 35 35 ILE HD11 H 1 0.65739 0.000 . 1 . . . . . 53 ILE MD . 51751 1 50 . 1 . 1 35 35 ILE HD12 H 1 0.65739 0.000 . 1 . . . . . 53 ILE MD . 51751 1 51 . 1 . 1 35 35 ILE HD13 H 1 0.65739 0.000 . 1 . . . . . 53 ILE MD . 51751 1 52 . 1 . 1 35 35 ILE CD1 C 13 13.3323 0.000 . 1 . . . . . 53 ILE CD1 . 51751 1 53 . 1 . 1 48 48 VAL HG11 H 1 0.62546 0.000 . 1 . . . . . 66 VAL MG1 . 51751 1 54 . 1 . 1 48 48 VAL HG12 H 1 0.62546 0.000 . 1 . . . . . 66 VAL MG1 . 51751 1 55 . 1 . 1 48 48 VAL HG13 H 1 0.62546 0.000 . 1 . . . . . 66 VAL MG1 . 51751 1 56 . 1 . 1 48 48 VAL HG21 H 1 0.80524 0.000 . 1 . . . . . 66 VAL MG2 . 51751 1 57 . 1 . 1 48 48 VAL HG22 H 1 0.80524 0.000 . 1 . . . . . 66 VAL MG2 . 51751 1 58 . 1 . 1 48 48 VAL HG23 H 1 0.80524 0.000 . 1 . . . . . 66 VAL MG2 . 51751 1 59 . 1 . 1 48 48 VAL CG1 C 13 21.36943 0.000 . 1 . . . . . 66 VAL CG1 . 51751 1 60 . 1 . 1 48 48 VAL CG2 C 13 21.96567 0.000 . 1 . . . . . 66 VAL CG2 . 51751 1 61 . 1 . 1 58 58 ILE HD11 H 1 0.83651 0.000 . 1 . . . . . 76 ILE MD . 51751 1 62 . 1 . 1 58 58 ILE HD12 H 1 0.83651 0.000 . 1 . . . . . 76 ILE MD . 51751 1 63 . 1 . 1 58 58 ILE HD13 H 1 0.83651 0.000 . 1 . . . . . 76 ILE MD . 51751 1 64 . 1 . 1 58 58 ILE CD1 C 13 14.01939 0.000 . 1 . . . . . 76 ILE CD1 . 51751 1 65 . 1 . 1 74 74 VAL HG11 H 1 0.23795 0.000 . 1 . . . . . 92 VAL MG1 . 51751 1 66 . 1 . 1 74 74 VAL HG12 H 1 0.23795 0.000 . 1 . . . . . 92 VAL MG1 . 51751 1 67 . 1 . 1 74 74 VAL HG13 H 1 0.23795 0.000 . 1 . . . . . 92 VAL MG1 . 51751 1 68 . 1 . 1 74 74 VAL HG21 H 1 0.41443 0.000 . 1 . . . . . 92 VAL MG2 . 51751 1 69 . 1 . 1 74 74 VAL HG22 H 1 0.41443 0.000 . 1 . . . . . 92 VAL MG2 . 51751 1 70 . 1 . 1 74 74 VAL HG23 H 1 0.41443 0.000 . 1 . . . . . 92 VAL MG2 . 51751 1 71 . 1 . 1 74 74 VAL CG1 C 13 22.82372 0.000 . 1 . . . . . 92 VAL CG1 . 51751 1 72 . 1 . 1 74 74 VAL CG2 C 13 20.99662 0.000 . 1 . . . . . 92 VAL CG2 . 51751 1 73 . 1 . 1 90 90 VAL HG21 H 1 1.127 0.000 . 1 . . . . . 108 VAL MG2 . 51751 1 74 . 1 . 1 90 90 VAL HG22 H 1 1.127 0.000 . 1 . . . . . 108 VAL MG2 . 51751 1 75 . 1 . 1 90 90 VAL HG23 H 1 1.127 0.000 . 1 . . . . . 108 VAL MG2 . 51751 1 76 . 1 . 1 90 90 VAL CG2 C 13 24.84697 0.000 . 1 . . . . . 108 VAL CG2 . 51751 1 77 . 1 . 1 94 94 ILE HD11 H 1 0.54802 0.000 . 1 . . . . . 112 ILE MD . 51751 1 78 . 1 . 1 94 94 ILE HD12 H 1 0.54802 0.000 . 1 . . . . . 112 ILE MD . 51751 1 79 . 1 . 1 94 94 ILE HD13 H 1 0.54802 0.000 . 1 . . . . . 112 ILE MD . 51751 1 80 . 1 . 1 94 94 ILE CD1 C 13 14.28825 0.000 . 1 . . . . . 112 ILE CD1 . 51751 1 81 . 1 . 1 101 101 VAL HG11 H 1 1.17651 0.000 . 1 . . . . . 119 VAL MG1 . 51751 1 82 . 1 . 1 101 101 VAL HG12 H 1 1.17651 0.000 . 1 . . . . . 119 VAL MG1 . 51751 1 83 . 1 . 1 101 101 VAL HG13 H 1 1.17651 0.000 . 1 . . . . . 119 VAL MG1 . 51751 1 84 . 1 . 1 101 101 VAL HG21 H 1 1.06423 0.000 . 1 . . . . . 119 VAL MG2 . 51751 1 85 . 1 . 1 101 101 VAL HG22 H 1 1.06423 0.000 . 1 . . . . . 119 VAL MG2 . 51751 1 86 . 1 . 1 101 101 VAL HG23 H 1 1.06423 0.000 . 1 . . . . . 119 VAL MG2 . 51751 1 87 . 1 . 1 101 101 VAL CG1 C 13 22.75054 0.000 . 1 . . . . . 119 VAL CG1 . 51751 1 88 . 1 . 1 101 101 VAL CG2 C 13 22.57568 0.000 . 1 . . . . . 119 VAL CG2 . 51751 1 89 . 1 . 1 102 102 VAL HG11 H 1 0.64123 0.000 . 1 . . . . . 120 VAL MG1 . 51751 1 90 . 1 . 1 102 102 VAL HG12 H 1 0.64123 0.000 . 1 . . . . . 120 VAL MG1 . 51751 1 91 . 1 . 1 102 102 VAL HG13 H 1 0.64123 0.000 . 1 . . . . . 120 VAL MG1 . 51751 1 92 . 1 . 1 102 102 VAL HG21 H 1 0.65301 0.000 . 1 . . . . . 120 VAL MG2 . 51751 1 93 . 1 . 1 102 102 VAL HG22 H 1 0.65301 0.000 . 1 . . . . . 120 VAL MG2 . 51751 1 94 . 1 . 1 102 102 VAL HG23 H 1 0.65301 0.000 . 1 . . . . . 120 VAL MG2 . 51751 1 95 . 1 . 1 102 102 VAL CG1 C 13 21.12773 0.000 . 1 . . . . . 120 VAL CG1 . 51751 1 96 . 1 . 1 102 102 VAL CG2 C 13 18.09133 0.000 . 1 . . . . . 120 VAL CG2 . 51751 1 97 . 1 . 1 110 110 ILE HD11 H 1 0.80979 0.000 . 1 . . . . . 128 ILE MD . 51751 1 98 . 1 . 1 110 110 ILE HD12 H 1 0.80979 0.000 . 1 . . . . . 128 ILE MD . 51751 1 99 . 1 . 1 110 110 ILE HD13 H 1 0.80979 0.000 . 1 . . . . . 128 ILE MD . 51751 1 100 . 1 . 1 110 110 ILE CD1 C 13 14.97266 0.000 . 1 . . . . . 128 ILE CD1 . 51751 1 101 . 1 . 1 112 112 VAL HG11 H 1 0.87054 0.000 . 1 . . . . . 130 VAL MG1 . 51751 1 102 . 1 . 1 112 112 VAL HG12 H 1 0.87054 0.000 . 1 . . . . . 130 VAL MG1 . 51751 1 103 . 1 . 1 112 112 VAL HG13 H 1 0.87054 0.000 . 1 . . . . . 130 VAL MG1 . 51751 1 104 . 1 . 1 112 112 VAL HG21 H 1 0.40706 0.000 . 1 . . . . . 130 VAL MG2 . 51751 1 105 . 1 . 1 112 112 VAL HG22 H 1 0.40706 0.000 . 1 . . . . . 130 VAL MG2 . 51751 1 106 . 1 . 1 112 112 VAL HG23 H 1 0.40706 0.000 . 1 . . . . . 130 VAL MG2 . 51751 1 107 . 1 . 1 112 112 VAL CG1 C 13 22.11589 0.000 . 1 . . . . . 130 VAL CG1 . 51751 1 108 . 1 . 1 112 112 VAL CG2 C 13 18.19793 0.000 . 1 . . . . . 130 VAL CG2 . 51751 1 109 . 1 . 1 114 114 ILE HD11 H 1 0.79373 0.000 . 1 . . . . . 132 ILE MD . 51751 1 110 . 1 . 1 114 114 ILE HD12 H 1 0.79373 0.000 . 1 . . . . . 132 ILE MD . 51751 1 111 . 1 . 1 114 114 ILE HD13 H 1 0.79373 0.000 . 1 . . . . . 132 ILE MD . 51751 1 112 . 1 . 1 114 114 ILE CD1 C 13 14.30426 0.000 . 1 . . . . . 132 ILE CD1 . 51751 1 113 . 1 . 1 127 127 ILE HD11 H 1 0.33518 0.000 . 1 . . . . . 145 ILE MD . 51751 1 114 . 1 . 1 127 127 ILE HD12 H 1 0.33518 0.000 . 1 . . . . . 145 ILE MD . 51751 1 115 . 1 . 1 127 127 ILE HD13 H 1 0.33518 0.000 . 1 . . . . . 145 ILE MD . 51751 1 116 . 1 . 1 127 127 ILE CD1 C 13 7.22951 0.000 . 1 . . . . . 145 ILE CD1 . 51751 1 117 . 1 . 1 130 130 MET HE1 H 1 1.68218 0.000 . 1 . . . . . 148 MET ME . 51751 1 118 . 1 . 1 130 130 MET HE2 H 1 1.68218 0.000 . 1 . . . . . 148 MET ME . 51751 1 119 . 1 . 1 130 130 MET HE3 H 1 1.68218 0.000 . 1 . . . . . 148 MET ME . 51751 1 120 . 1 . 1 130 130 MET CE C 13 18.17257 0.000 . 1 . . . . . 148 MET CE . 51751 1 121 . 1 . 1 135 135 MET HE1 H 1 1.99892 0.000 . 1 . . . . . 153 MET ME . 51751 1 122 . 1 . 1 135 135 MET HE2 H 1 1.99892 0.000 . 1 . . . . . 153 MET ME . 51751 1 123 . 1 . 1 135 135 MET HE3 H 1 1.99892 0.000 . 1 . . . . . 153 MET ME . 51751 1 124 . 1 . 1 135 135 MET CE C 13 16.82697 0.000 . 1 . . . . . 153 MET CE . 51751 1 125 . 1 . 1 152 152 VAL HG21 H 1 0.84926 0.000 . 1 . . . . . 170 VAL MG2 . 51751 1 126 . 1 . 1 152 152 VAL HG22 H 1 0.84926 0.000 . 1 . . . . . 170 VAL MG2 . 51751 1 127 . 1 . 1 152 152 VAL HG23 H 1 0.84926 0.000 . 1 . . . . . 170 VAL MG2 . 51751 1 128 . 1 . 1 152 152 VAL CG2 C 13 22.71299 0.000 . 1 . . . . . 170 VAL CG2 . 51751 1 129 . 1 . 1 154 154 VAL HG21 H 1 0.57638 0.000 . 1 . . . . . 172 VAL MG2 . 51751 1 130 . 1 . 1 154 154 VAL HG22 H 1 0.57638 0.000 . 1 . . . . . 172 VAL MG2 . 51751 1 131 . 1 . 1 154 154 VAL HG23 H 1 0.57638 0.000 . 1 . . . . . 172 VAL MG2 . 51751 1 132 . 1 . 1 154 154 VAL CG2 C 13 17.93756 0.000 . 1 . . . . . 172 VAL CG2 . 51751 1 133 . 1 . 1 172 172 ILE HD11 H 1 0.78211 0.000 . 1 . . . . . 190 ILE MD . 51751 1 134 . 1 . 1 172 172 ILE HD12 H 1 0.78211 0.000 . 1 . . . . . 190 ILE MD . 51751 1 135 . 1 . 1 172 172 ILE HD13 H 1 0.78211 0.000 . 1 . . . . . 190 ILE MD . 51751 1 136 . 1 . 1 172 172 ILE CD1 C 13 13.65467 0.000 . 1 . . . . . 190 ILE CD1 . 51751 1 137 . 1 . 1 177 177 VAL HG11 H 1 0.84163 0.000 . 1 . . . . . 195 VAL MG1 . 51751 1 138 . 1 . 1 177 177 VAL HG12 H 1 0.84163 0.000 . 1 . . . . . 195 VAL MG1 . 51751 1 139 . 1 . 1 177 177 VAL HG13 H 1 0.84163 0.000 . 1 . . . . . 195 VAL MG1 . 51751 1 140 . 1 . 1 177 177 VAL HG21 H 1 0.94741 0.000 . 1 . . . . . 195 VAL MG2 . 51751 1 141 . 1 . 1 177 177 VAL HG22 H 1 0.94741 0.000 . 1 . . . . . 195 VAL MG2 . 51751 1 142 . 1 . 1 177 177 VAL HG23 H 1 0.94741 0.000 . 1 . . . . . 195 VAL MG2 . 51751 1 143 . 1 . 1 177 177 VAL CG1 C 13 22.31135 0.000 . 1 . . . . . 195 VAL CG1 . 51751 1 144 . 1 . 1 177 177 VAL CG2 C 13 21.68279 0.000 . 1 . . . . . 195 VAL CG2 . 51751 1 145 . 1 . 1 178 178 MET HE1 H 1 2.12662 0.000 . 1 . . . . . 196 MET ME . 51751 1 146 . 1 . 1 178 178 MET HE2 H 1 2.12662 0.000 . 1 . . . . . 196 MET ME . 51751 1 147 . 1 . 1 178 178 MET HE3 H 1 2.12662 0.000 . 1 . . . . . 196 MET ME . 51751 1 148 . 1 . 1 178 178 MET CE C 13 17.27173 0.000 . 1 . . . . . 196 MET CE . 51751 1 149 . 1 . 1 180 180 ILE HD11 H 1 0.79794 0.000 . 1 . . . . . 198 ILE MD . 51751 1 150 . 1 . 1 180 180 ILE HD12 H 1 0.79794 0.000 . 1 . . . . . 198 ILE MD . 51751 1 151 . 1 . 1 180 180 ILE HD13 H 1 0.79794 0.000 . 1 . . . . . 198 ILE MD . 51751 1 152 . 1 . 1 180 180 ILE CD1 C 13 12.77619 0.000 . 1 . . . . . 198 ILE CD1 . 51751 1 153 . 1 . 1 181 181 ILE HD11 H 1 0.5741 0.000 . 1 . . . . . 199 ILE MD . 51751 1 154 . 1 . 1 181 181 ILE HD12 H 1 0.5741 0.000 . 1 . . . . . 199 ILE MD . 51751 1 155 . 1 . 1 181 181 ILE HD13 H 1 0.5741 0.000 . 1 . . . . . 199 ILE MD . 51751 1 156 . 1 . 1 181 181 ILE CD1 C 13 13.16236 0.000 . 1 . . . . . 199 ILE CD1 . 51751 1 157 . 1 . 1 189 189 ILE HD11 H 1 0.66246 0.000 . 1 . . . . . 207 ILE MD . 51751 1 158 . 1 . 1 189 189 ILE HD12 H 1 0.66246 0.000 . 1 . . . . . 207 ILE MD . 51751 1 159 . 1 . 1 189 189 ILE HD13 H 1 0.66246 0.000 . 1 . . . . . 207 ILE MD . 51751 1 160 . 1 . 1 189 189 ILE CD1 C 13 13.66533 0.000 . 1 . . . . . 207 ILE CD1 . 51751 1 161 . 1 . 1 202 202 ILE HD11 H 1 0.79807 0.000 . 1 . . . . . 220 ILE MD . 51751 1 162 . 1 . 1 202 202 ILE HD12 H 1 0.79807 0.000 . 1 . . . . . 220 ILE MD . 51751 1 163 . 1 . 1 202 202 ILE HD13 H 1 0.79807 0.000 . 1 . . . . . 220 ILE MD . 51751 1 164 . 1 . 1 202 202 ILE CD1 C 13 14.18615 0.000 . 1 . . . . . 220 ILE CD1 . 51751 1 165 . 1 . 1 204 204 VAL HG21 H 1 0.8274 0.000 . 1 . . . . . 222 VAL MG2 . 51751 1 166 . 1 . 1 204 204 VAL HG22 H 1 0.8274 0.000 . 1 . . . . . 222 VAL MG2 . 51751 1 167 . 1 . 1 204 204 VAL HG23 H 1 0.8274 0.000 . 1 . . . . . 222 VAL MG2 . 51751 1 168 . 1 . 1 204 204 VAL CG2 C 13 20.12964 0.000 . 1 . . . . . 222 VAL CG2 . 51751 1 169 . 1 . 1 214 214 VAL HG11 H 1 0.76824 0.000 . 1 . . . . . 232 VAL MG1 . 51751 1 170 . 1 . 1 214 214 VAL HG12 H 1 0.76824 0.000 . 1 . . . . . 232 VAL MG1 . 51751 1 171 . 1 . 1 214 214 VAL HG13 H 1 0.76824 0.000 . 1 . . . . . 232 VAL MG1 . 51751 1 172 . 1 . 1 214 214 VAL HG21 H 1 0.52513 0.000 . 1 . . . . . 232 VAL MG2 . 51751 1 173 . 1 . 1 214 214 VAL HG22 H 1 0.52513 0.000 . 1 . . . . . 232 VAL MG2 . 51751 1 174 . 1 . 1 214 214 VAL HG23 H 1 0.52513 0.000 . 1 . . . . . 232 VAL MG2 . 51751 1 175 . 1 . 1 214 214 VAL CG1 C 13 22.40752 0.000 . 1 . . . . . 232 VAL CG1 . 51751 1 176 . 1 . 1 214 214 VAL CG2 C 13 23.30436 0.000 . 1 . . . . . 232 VAL CG2 . 51751 1 177 . 1 . 1 219 219 ILE HD11 H 1 0.1683 0.000 . 1 . . . . . 237 ILE MD . 51751 1 178 . 1 . 1 219 219 ILE HD12 H 1 0.1683 0.000 . 1 . . . . . 237 ILE MD . 51751 1 179 . 1 . 1 219 219 ILE HD13 H 1 0.1683 0.000 . 1 . . . . . 237 ILE MD . 51751 1 180 . 1 . 1 219 219 ILE CD1 C 13 13.89931 0.000 . 1 . . . . . 237 ILE CD1 . 51751 1 181 . 1 . 1 223 223 VAL HG21 H 1 0.97052 0.000 . 1 . . . . . 241 VAL MG2 . 51751 1 182 . 1 . 1 223 223 VAL HG22 H 1 0.97052 0.000 . 1 . . . . . 241 VAL MG2 . 51751 1 183 . 1 . 1 223 223 VAL HG23 H 1 0.97052 0.000 . 1 . . . . . 241 VAL MG2 . 51751 1 184 . 1 . 1 223 223 VAL CG2 C 13 20.84924 0.000 . 1 . . . . . 241 VAL CG2 . 51751 1 185 . 1 . 1 244 244 VAL HG11 H 1 1.21216 0.000 . 1 . . . . . 262 VAL MG1 . 51751 1 186 . 1 . 1 244 244 VAL HG12 H 1 1.21216 0.000 . 1 . . . . . 262 VAL MG1 . 51751 1 187 . 1 . 1 244 244 VAL HG13 H 1 1.21216 0.000 . 1 . . . . . 262 VAL MG1 . 51751 1 188 . 1 . 1 244 244 VAL HG21 H 1 1.35112 0.000 . 1 . . . . . 262 VAL MG2 . 51751 1 189 . 1 . 1 244 244 VAL HG22 H 1 1.35112 0.000 . 1 . . . . . 262 VAL MG2 . 51751 1 190 . 1 . 1 244 244 VAL HG23 H 1 1.35112 0.000 . 1 . . . . . 262 VAL MG2 . 51751 1 191 . 1 . 1 244 244 VAL CG1 C 13 24.98711 0.000 . 1 . . . . . 262 VAL CG1 . 51751 1 192 . 1 . 1 244 244 VAL CG2 C 13 23.338 0.000 . 1 . . . . . 262 VAL CG2 . 51751 1 193 . 1 . 1 245 245 MET HE1 H 1 2.18038 0.000 . 1 . . . . . 263 MET ME . 51751 1 194 . 1 . 1 245 245 MET HE2 H 1 2.18038 0.000 . 1 . . . . . 263 MET ME . 51751 1 195 . 1 . 1 245 245 MET HE3 H 1 2.18038 0.000 . 1 . . . . . 263 MET ME . 51751 1 196 . 1 . 1 245 245 MET CE C 13 17.22027 0.000 . 1 . . . . . 263 MET CE . 51751 1 197 . 1 . 1 249 249 ILE HD11 H 1 0.8297 0.000 . 1 . . . . . 267 ILE MD . 51751 1 198 . 1 . 1 249 249 ILE HD12 H 1 0.8297 0.000 . 1 . . . . . 267 ILE MD . 51751 1 199 . 1 . 1 249 249 ILE HD13 H 1 0.8297 0.000 . 1 . . . . . 267 ILE MD . 51751 1 200 . 1 . 1 249 249 ILE CD1 C 13 13.23819 0.000 . 1 . . . . . 267 ILE CD1 . 51751 1 201 . 1 . 1 260 260 VAL HG11 H 1 0.19907 0.000 . 1 . . . . . 278 VAL MG1 . 51751 1 202 . 1 . 1 260 260 VAL HG12 H 1 0.19907 0.000 . 1 . . . . . 278 VAL MG1 . 51751 1 203 . 1 . 1 260 260 VAL HG13 H 1 0.19907 0.000 . 1 . . . . . 278 VAL MG1 . 51751 1 204 . 1 . 1 260 260 VAL HG21 H 1 0.71609 0.000 . 1 . . . . . 278 VAL MG2 . 51751 1 205 . 1 . 1 260 260 VAL HG22 H 1 0.71609 0.000 . 1 . . . . . 278 VAL MG2 . 51751 1 206 . 1 . 1 260 260 VAL HG23 H 1 0.71609 0.000 . 1 . . . . . 278 VAL MG2 . 51751 1 207 . 1 . 1 260 260 VAL CG1 C 13 20.4473 0.000 . 1 . . . . . 278 VAL CG1 . 51751 1 208 . 1 . 1 260 260 VAL CG2 C 13 18.98576 0.000 . 1 . . . . . 278 VAL CG2 . 51751 1 209 . 1 . 1 267 267 VAL HG21 H 1 1.07156 0.000 . 1 . . . . . 285 VAL MG2 . 51751 1 210 . 1 . 1 267 267 VAL HG22 H 1 1.07156 0.000 . 1 . . . . . 285 VAL MG2 . 51751 1 211 . 1 . 1 267 267 VAL HG23 H 1 1.07156 0.000 . 1 . . . . . 285 VAL MG2 . 51751 1 212 . 1 . 1 267 267 VAL CG2 C 13 23.65517 0.000 . 1 . . . . . 285 VAL CG2 . 51751 1 213 . 1 . 1 289 289 ILE HD11 H 1 0.61983 0.000 . 1 . . . . . 307 ILE MD . 51751 1 214 . 1 . 1 289 289 ILE HD12 H 1 0.61983 0.000 . 1 . . . . . 307 ILE MD . 51751 1 215 . 1 . 1 289 289 ILE HD13 H 1 0.61983 0.000 . 1 . . . . . 307 ILE MD . 51751 1 216 . 1 . 1 289 289 ILE CD1 C 13 15.25167 0.000 . 1 . . . . . 307 ILE CD1 . 51751 1 217 . 1 . 1 291 291 ILE HD11 H 1 0.15548 0.000 . 1 . . . . . 309 ILE MD . 51751 1 218 . 1 . 1 291 291 ILE HD12 H 1 0.15548 0.000 . 1 . . . . . 309 ILE MD . 51751 1 219 . 1 . 1 291 291 ILE HD13 H 1 0.15548 0.000 . 1 . . . . . 309 ILE MD . 51751 1 220 . 1 . 1 291 291 ILE CD1 C 13 14.18004 0.000 . 1 . . . . . 309 ILE CD1 . 51751 1 221 . 1 . 1 314 314 MET HE1 H 1 2.12415 0.000 . 1 . . . . . 332 MET ME . 51751 1 222 . 1 . 1 314 314 MET HE2 H 1 2.12415 0.000 . 1 . . . . . 332 MET ME . 51751 1 223 . 1 . 1 314 314 MET HE3 H 1 2.12415 0.000 . 1 . . . . . 332 MET ME . 51751 1 224 . 1 . 1 314 314 MET CE C 13 16.5061 0.000 . 1 . . . . . 332 MET CE . 51751 1 225 . 1 . 1 321 321 MET HE1 H 1 1.85216 0.000 . 1 . . . . . 339 MET ME . 51751 1 226 . 1 . 1 321 321 MET HE2 H 1 1.85216 0.000 . 1 . . . . . 339 MET ME . 51751 1 227 . 1 . 1 321 321 MET HE3 H 1 1.85216 0.000 . 1 . . . . . 339 MET ME . 51751 1 228 . 1 . 1 321 321 MET CE C 13 18.92476 0.000 . 1 . . . . . 339 MET CE . 51751 1 229 . 1 . 1 324 324 VAL HG11 H 1 0.86251 0.000 . 1 . . . . . 342 VAL MG1 . 51751 1 230 . 1 . 1 324 324 VAL HG12 H 1 0.86251 0.000 . 1 . . . . . 342 VAL MG1 . 51751 1 231 . 1 . 1 324 324 VAL HG13 H 1 0.86251 0.000 . 1 . . . . . 342 VAL MG1 . 51751 1 232 . 1 . 1 324 324 VAL HG21 H 1 1.47939 0.000 . 1 . . . . . 342 VAL MG2 . 51751 1 233 . 1 . 1 324 324 VAL HG22 H 1 1.47939 0.000 . 1 . . . . . 342 VAL MG2 . 51751 1 234 . 1 . 1 324 324 VAL HG23 H 1 1.47939 0.000 . 1 . . . . . 342 VAL MG2 . 51751 1 235 . 1 . 1 324 324 VAL CG1 C 13 23.03421 0.000 . 1 . . . . . 342 VAL CG1 . 51751 1 236 . 1 . 1 324 324 VAL CG2 C 13 23.13408 0.000 . 1 . . . . . 342 VAL CG2 . 51751 1 237 . 1 . 1 327 327 VAL HG11 H 1 0.92995 0.000 . 1 . . . . . 345 VAL MG1 . 51751 1 238 . 1 . 1 327 327 VAL HG12 H 1 0.92995 0.000 . 1 . . . . . 345 VAL MG1 . 51751 1 239 . 1 . 1 327 327 VAL HG13 H 1 0.92995 0.000 . 1 . . . . . 345 VAL MG1 . 51751 1 240 . 1 . 1 327 327 VAL HG21 H 1 1.02658 0.000 . 1 . . . . . 345 VAL MG2 . 51751 1 241 . 1 . 1 327 327 VAL HG22 H 1 1.02658 0.000 . 1 . . . . . 345 VAL MG2 . 51751 1 242 . 1 . 1 327 327 VAL HG23 H 1 1.02658 0.000 . 1 . . . . . 345 VAL MG2 . 51751 1 243 . 1 . 1 327 327 VAL CG1 C 13 22.40743 0.000 . 1 . . . . . 345 VAL CG1 . 51751 1 244 . 1 . 1 327 327 VAL CG2 C 13 22.91481 0.000 . 1 . . . . . 345 VAL CG2 . 51751 1 245 . 1 . 1 338 338 ILE HD11 H 1 0.62198 0.000 . 1 . . . . . 356 ILE MD . 51751 1 246 . 1 . 1 338 338 ILE HD12 H 1 0.62198 0.000 . 1 . . . . . 356 ILE MD . 51751 1 247 . 1 . 1 338 338 ILE HD13 H 1 0.62198 0.000 . 1 . . . . . 356 ILE MD . 51751 1 248 . 1 . 1 338 338 ILE CD1 C 13 9.79304 0.000 . 1 . . . . . 356 ILE CD1 . 51751 1 249 . 1 . 1 341 341 ILE HD11 H 1 0.11282 0.000 . 1 . . . . . 359 ILE MD . 51751 1 250 . 1 . 1 341 341 ILE HD12 H 1 0.11282 0.000 . 1 . . . . . 359 ILE MD . 51751 1 251 . 1 . 1 341 341 ILE HD13 H 1 0.11282 0.000 . 1 . . . . . 359 ILE MD . 51751 1 252 . 1 . 1 341 341 ILE CD1 C 13 15.19643 0.000 . 1 . . . . . 359 ILE CD1 . 51751 1 253 . 1 . 1 342 342 VAL HG11 H 1 0.60546 0.000 . 1 . . . . . 360 VAL MG1 . 51751 1 254 . 1 . 1 342 342 VAL HG12 H 1 0.60546 0.000 . 1 . . . . . 360 VAL MG1 . 51751 1 255 . 1 . 1 342 342 VAL HG13 H 1 0.60546 0.000 . 1 . . . . . 360 VAL MG1 . 51751 1 256 . 1 . 1 342 342 VAL HG21 H 1 0.47833 0.000 . 1 . . . . . 360 VAL MG2 . 51751 1 257 . 1 . 1 342 342 VAL HG22 H 1 0.47833 0.000 . 1 . . . . . 360 VAL MG2 . 51751 1 258 . 1 . 1 342 342 VAL HG23 H 1 0.47833 0.000 . 1 . . . . . 360 VAL MG2 . 51751 1 259 . 1 . 1 342 342 VAL CG1 C 13 21.85761 0.000 . 1 . . . . . 360 VAL CG1 . 51751 1 260 . 1 . 1 342 342 VAL CG2 C 13 20.90425 0.000 . 1 . . . . . 360 VAL CG2 . 51751 1 261 . 1 . 1 344 344 VAL HG11 H 1 1.00693 0.000 . 1 . . . . . 362 VAL MG1 . 51751 1 262 . 1 . 1 344 344 VAL HG12 H 1 1.00693 0.000 . 1 . . . . . 362 VAL MG1 . 51751 1 263 . 1 . 1 344 344 VAL HG13 H 1 1.00693 0.000 . 1 . . . . . 362 VAL MG1 . 51751 1 264 . 1 . 1 344 344 VAL CG1 C 13 23.14508 0.000 . 1 . . . . . 362 VAL CG1 . 51751 1 265 . 1 . 1 350 350 ILE HD11 H 1 1.40701 0.000 . 1 . . . . . 368 ILE MD . 51751 1 266 . 1 . 1 350 350 ILE HD12 H 1 1.40701 0.000 . 1 . . . . . 368 ILE MD . 51751 1 267 . 1 . 1 350 350 ILE HD13 H 1 1.40701 0.000 . 1 . . . . . 368 ILE MD . 51751 1 268 . 1 . 1 350 350 ILE CD1 C 13 14.58515 0.000 . 1 . . . . . 368 ILE CD1 . 51751 1 269 . 1 . 1 353 353 ILE HD11 H 1 0.47288 0.000 . 1 . . . . . 371 ILE MD . 51751 1 270 . 1 . 1 353 353 ILE HD12 H 1 0.47288 0.000 . 1 . . . . . 371 ILE MD . 51751 1 271 . 1 . 1 353 353 ILE HD13 H 1 0.47288 0.000 . 1 . . . . . 371 ILE MD . 51751 1 272 . 1 . 1 353 353 ILE CD1 C 13 9.6203 0.000 . 1 . . . . . 371 ILE CD1 . 51751 1 273 . 1 . 1 357 357 VAL HG21 H 1 0.19141 0.000 . 1 . . . . . 375 VAL MG2 . 51751 1 274 . 1 . 1 357 357 VAL HG22 H 1 0.19141 0.000 . 1 . . . . . 375 VAL MG2 . 51751 1 275 . 1 . 1 357 357 VAL HG23 H 1 0.19141 0.000 . 1 . . . . . 375 VAL MG2 . 51751 1 276 . 1 . 1 357 357 VAL CG2 C 13 22.29252 0.000 . 1 . . . . . 375 VAL CG2 . 51751 1 277 . 1 . 1 382 382 VAL HG11 H 1 0.77367 0.000 . 1 . . . . . 400 VAL MG1 . 51751 1 278 . 1 . 1 382 382 VAL HG12 H 1 0.77367 0.000 . 1 . . . . . 400 VAL MG1 . 51751 1 279 . 1 . 1 382 382 VAL HG13 H 1 0.77367 0.000 . 1 . . . . . 400 VAL MG1 . 51751 1 280 . 1 . 1 382 382 VAL HG21 H 1 1.12185 0.000 . 1 . . . . . 400 VAL MG2 . 51751 1 281 . 1 . 1 382 382 VAL HG22 H 1 1.12185 0.000 . 1 . . . . . 400 VAL MG2 . 51751 1 282 . 1 . 1 382 382 VAL HG23 H 1 1.12185 0.000 . 1 . . . . . 400 VAL MG2 . 51751 1 283 . 1 . 1 382 382 VAL CG1 C 13 20.99652 0.000 . 1 . . . . . 400 VAL CG1 . 51751 1 284 . 1 . 1 382 382 VAL CG2 C 13 23.03173 0.000 . 1 . . . . . 400 VAL CG2 . 51751 1 285 . 1 . 1 386 386 VAL HG21 H 1 0.96455 0.000 . 1 . . . . . 404 VAL MG2 . 51751 1 286 . 1 . 1 386 386 VAL HG22 H 1 0.96455 0.000 . 1 . . . . . 404 VAL MG2 . 51751 1 287 . 1 . 1 386 386 VAL HG23 H 1 0.96455 0.000 . 1 . . . . . 404 VAL MG2 . 51751 1 288 . 1 . 1 386 386 VAL CG2 C 13 20.54461 0.000 . 1 . . . . . 404 VAL CG2 . 51751 1 289 . 1 . 1 401 401 VAL HG21 H 1 1.02481 0.000 . 1 . . . . . 419 VAL MG2 . 51751 1 290 . 1 . 1 401 401 VAL HG22 H 1 1.02481 0.000 . 1 . . . . . 419 VAL MG2 . 51751 1 291 . 1 . 1 401 401 VAL HG23 H 1 1.02481 0.000 . 1 . . . . . 419 VAL MG2 . 51751 1 292 . 1 . 1 401 401 VAL CG2 C 13 19.81412 0.000 . 1 . . . . . 419 VAL CG2 . 51751 1 293 . 1 . 1 408 408 ILE HD11 H 1 -0.05943 0.000 . 1 . . . . . 426 ILE MD . 51751 1 294 . 1 . 1 408 408 ILE HD12 H 1 -0.05943 0.000 . 1 . . . . . 426 ILE MD . 51751 1 295 . 1 . 1 408 408 ILE HD13 H 1 -0.05943 0.000 . 1 . . . . . 426 ILE MD . 51751 1 296 . 1 . 1 408 408 ILE CD1 C 13 13.90712 0.000 . 1 . . . . . 426 ILE CD1 . 51751 1 297 . 1 . 1 415 415 MET HE1 H 1 1.84671 0.000 . 1 . . . . . 433 MET ME . 51751 1 298 . 1 . 1 415 415 MET HE2 H 1 1.84671 0.000 . 1 . . . . . 433 MET ME . 51751 1 299 . 1 . 1 415 415 MET HE3 H 1 1.84671 0.000 . 1 . . . . . 433 MET ME . 51751 1 300 . 1 . 1 415 415 MET CE C 13 18.80102 0.000 . 1 . . . . . 433 MET CE . 51751 1 301 . 1 . 1 419 419 ILE HD11 H 1 0.93332 0.000 . 1 . . . . . 437 ILE MD . 51751 1 302 . 1 . 1 419 419 ILE HD12 H 1 0.93332 0.000 . 1 . . . . . 437 ILE MD . 51751 1 303 . 1 . 1 419 419 ILE HD13 H 1 0.93332 0.000 . 1 . . . . . 437 ILE MD . 51751 1 304 . 1 . 1 419 419 ILE CD1 C 13 13.61816 0.000 . 1 . . . . . 437 ILE CD1 . 51751 1 305 . 1 . 1 424 424 VAL HG21 H 1 0.75178 0.000 . 1 . . . . . 442 VAL MG2 . 51751 1 306 . 1 . 1 424 424 VAL HG22 H 1 0.75178 0.000 . 1 . . . . . 442 VAL MG2 . 51751 1 307 . 1 . 1 424 424 VAL HG23 H 1 0.75178 0.000 . 1 . . . . . 442 VAL MG2 . 51751 1 308 . 1 . 1 424 424 VAL CG2 C 13 18.13704 0.000 . 1 . . . . . 442 VAL CG2 . 51751 1 309 . 1 . 1 425 425 VAL HG21 H 1 0.71991 0.000 . 1 . . . . . 443 VAL MG2 . 51751 1 310 . 1 . 1 425 425 VAL HG22 H 1 0.71991 0.000 . 1 . . . . . 443 VAL MG2 . 51751 1 311 . 1 . 1 425 425 VAL HG23 H 1 0.71991 0.000 . 1 . . . . . 443 VAL MG2 . 51751 1 312 . 1 . 1 425 425 VAL CG2 C 13 19.49503 0.000 . 1 . . . . . 443 VAL CG2 . 51751 1 313 . 1 . 1 443 443 VAL HG21 H 1 0.81586 0.000 . 1 . . . . . 461 VAL MG2 . 51751 1 314 . 1 . 1 443 443 VAL HG22 H 1 0.81586 0.000 . 1 . . . . . 461 VAL MG2 . 51751 1 315 . 1 . 1 443 443 VAL HG23 H 1 0.81586 0.000 . 1 . . . . . 461 VAL MG2 . 51751 1 316 . 1 . 1 443 443 VAL CG2 C 13 21.1737 0.000 . 1 . . . . . 461 VAL CG2 . 51751 1 317 . 1 . 1 445 445 ILE HD11 H 1 0.62037 0.000 . 1 . . . . . 463 ILE MD . 51751 1 318 . 1 . 1 445 445 ILE HD12 H 1 0.62037 0.000 . 1 . . . . . 463 ILE MD . 51751 1 319 . 1 . 1 445 445 ILE HD13 H 1 0.62037 0.000 . 1 . . . . . 463 ILE MD . 51751 1 320 . 1 . 1 445 445 ILE CD1 C 13 13.19654 0.000 . 1 . . . . . 463 ILE CD1 . 51751 1 321 . 1 . 1 469 469 ILE HD11 H 1 0.57002 0.000 . 1 . . . . . 487 ILE MD . 51751 1 322 . 1 . 1 469 469 ILE HD12 H 1 0.57002 0.000 . 1 . . . . . 487 ILE MD . 51751 1 323 . 1 . 1 469 469 ILE HD13 H 1 0.57002 0.000 . 1 . . . . . 487 ILE MD . 51751 1 324 . 1 . 1 469 469 ILE CD1 C 13 12.64421 0.000 . 1 . . . . . 487 ILE CD1 . 51751 1 325 . 1 . 1 476 476 VAL HG21 H 1 1.08275 0.000 . 1 . . . . . 494 VAL MG2 . 51751 1 326 . 1 . 1 476 476 VAL HG22 H 1 1.08275 0.000 . 1 . . . . . 494 VAL MG2 . 51751 1 327 . 1 . 1 476 476 VAL HG23 H 1 1.08275 0.000 . 1 . . . . . 494 VAL MG2 . 51751 1 328 . 1 . 1 476 476 VAL CG2 C 13 21.47601 0.000 . 1 . . . . . 494 VAL CG2 . 51751 1 329 . 1 . 1 479 479 ILE HD11 H 1 0.73303 0.000 . 1 . . . . . 497 ILE MD . 51751 1 330 . 1 . 1 479 479 ILE HD12 H 1 0.73303 0.000 . 1 . . . . . 497 ILE MD . 51751 1 331 . 1 . 1 479 479 ILE HD13 H 1 0.73303 0.000 . 1 . . . . . 497 ILE MD . 51751 1 332 . 1 . 1 479 479 ILE CD1 C 13 12.80512 0.000 . 1 . . . . . 497 ILE CD1 . 51751 1 333 . 1 . 1 485 485 ILE HD11 H 1 0.91358 0.000 . 1 . . . . . 503 ILE MD . 51751 1 334 . 1 . 1 485 485 ILE HD12 H 1 0.91358 0.000 . 1 . . . . . 503 ILE MD . 51751 1 335 . 1 . 1 485 485 ILE HD13 H 1 0.91358 0.000 . 1 . . . . . 503 ILE MD . 51751 1 336 . 1 . 1 485 485 ILE CD1 C 13 14.63389 0.000 . 1 . . . . . 503 ILE CD1 . 51751 1 337 . 1 . 1 487 487 VAL HG21 H 1 1.10388 0.000 . 1 . . . . . 505 VAL MG2 . 51751 1 338 . 1 . 1 487 487 VAL HG22 H 1 1.10388 0.000 . 1 . . . . . 505 VAL MG2 . 51751 1 339 . 1 . 1 487 487 VAL HG23 H 1 1.10388 0.000 . 1 . . . . . 505 VAL MG2 . 51751 1 340 . 1 . 1 487 487 VAL CG2 C 13 21.91866 0.000 . 1 . . . . . 505 VAL CG2 . 51751 1 341 . 1 . 1 490 490 ILE HD11 H 1 0.86085 0.000 . 1 . . . . . 508 ILE MD . 51751 1 342 . 1 . 1 490 490 ILE HD12 H 1 0.86085 0.000 . 1 . . . . . 508 ILE MD . 51751 1 343 . 1 . 1 490 490 ILE HD13 H 1 0.86085 0.000 . 1 . . . . . 508 ILE MD . 51751 1 344 . 1 . 1 490 490 ILE CD1 C 13 11.68469 0.000 . 1 . . . . . 508 ILE CD1 . 51751 1 345 . 1 . 1 493 493 VAL HG21 H 1 0.79035 0.000 . 1 . . . . . 511 VAL MG2 . 51751 1 346 . 1 . 1 493 493 VAL HG22 H 1 0.79035 0.000 . 1 . . . . . 511 VAL MG2 . 51751 1 347 . 1 . 1 493 493 VAL HG23 H 1 0.79035 0.000 . 1 . . . . . 511 VAL MG2 . 51751 1 348 . 1 . 1 493 493 VAL CG2 C 13 21.48085 0.000 . 1 . . . . . 511 VAL CG2 . 51751 1 349 . 1 . 1 506 506 ILE HD11 H 1 0.23665 0.000 . 1 . . . . . 524 ILE MD . 51751 1 350 . 1 . 1 506 506 ILE HD12 H 1 0.23665 0.000 . 1 . . . . . 524 ILE MD . 51751 1 351 . 1 . 1 506 506 ILE HD13 H 1 0.23665 0.000 . 1 . . . . . 524 ILE MD . 51751 1 352 . 1 . 1 506 506 ILE CD1 C 13 12.9369 0.000 . 1 . . . . . 524 ILE CD1 . 51751 1 353 . 1 . 1 508 508 ILE HD11 H 1 0.74504 0.000 . 1 . . . . . 526 ILE MD . 51751 1 354 . 1 . 1 508 508 ILE HD12 H 1 0.74504 0.000 . 1 . . . . . 526 ILE MD . 51751 1 355 . 1 . 1 508 508 ILE HD13 H 1 0.74504 0.000 . 1 . . . . . 526 ILE MD . 51751 1 356 . 1 . 1 508 508 ILE CD1 C 13 13.78894 0.000 . 1 . . . . . 526 ILE CD1 . 51751 1 357 . 1 . 1 520 520 ILE HD11 H 1 0.81515 0.000 . 1 . . . . . 538 ILE MD . 51751 1 358 . 1 . 1 520 520 ILE HD12 H 1 0.81515 0.000 . 1 . . . . . 538 ILE MD . 51751 1 359 . 1 . 1 520 520 ILE HD13 H 1 0.81515 0.000 . 1 . . . . . 538 ILE MD . 51751 1 360 . 1 . 1 520 520 ILE CD1 C 13 13.20577 0.000 . 1 . . . . . 538 ILE CD1 . 51751 1 361 . 1 . 1 523 523 MET HE1 H 1 2.44201 0.000 . 1 . . . . . 541 MET ME . 51751 1 362 . 1 . 1 523 523 MET HE2 H 1 2.44201 0.000 . 1 . . . . . 541 MET ME . 51751 1 363 . 1 . 1 523 523 MET HE3 H 1 2.44201 0.000 . 1 . . . . . 541 MET ME . 51751 1 364 . 1 . 1 523 523 MET CE C 13 17.71466 0.000 . 1 . . . . . 541 MET CE . 51751 1 365 . 1 . 1 524 524 VAL HG21 H 1 1.07263 0.000 . 1 . . . . . 542 VAL MG2 . 51751 1 366 . 1 . 1 524 524 VAL HG22 H 1 1.07263 0.000 . 1 . . . . . 542 VAL MG2 . 51751 1 367 . 1 . 1 524 524 VAL HG23 H 1 1.07263 0.000 . 1 . . . . . 542 VAL MG2 . 51751 1 368 . 1 . 1 524 524 VAL CG2 C 13 22.70521 0.000 . 1 . . . . . 542 VAL CG2 . 51751 1 369 . 1 . 1 558 558 ILE HD11 H 1 0.79896 0.000 . 1 . . . . . 576 ILE MD . 51751 1 370 . 1 . 1 558 558 ILE HD12 H 1 0.79896 0.000 . 1 . . . . . 576 ILE MD . 51751 1 371 . 1 . 1 558 558 ILE HD13 H 1 0.79896 0.000 . 1 . . . . . 576 ILE MD . 51751 1 372 . 1 . 1 558 558 ILE CD1 C 13 14.64561 0.000 . 1 . . . . . 576 ILE CD1 . 51751 1 373 . 1 . 1 576 576 MET HE1 H 1 1.997 0.000 . 1 . . . . . 594 MET ME . 51751 1 374 . 1 . 1 576 576 MET HE2 H 1 1.997 0.000 . 1 . . . . . 594 MET ME . 51751 1 375 . 1 . 1 576 576 MET HE3 H 1 1.997 0.000 . 1 . . . . . 594 MET ME . 51751 1 376 . 1 . 1 576 576 MET CE C 13 17.596 0.000 . 1 . . . . . 594 MET CE . 51751 1 377 . 1 . 1 580 580 VAL HG21 H 1 1.04895 0.000 . 1 . . . . . 598 VAL MG2 . 51751 1 378 . 1 . 1 580 580 VAL HG22 H 1 1.04895 0.000 . 1 . . . . . 598 VAL MG2 . 51751 1 379 . 1 . 1 580 580 VAL HG23 H 1 1.04895 0.000 . 1 . . . . . 598 VAL MG2 . 51751 1 380 . 1 . 1 580 580 VAL CG2 C 13 24.41135 0.000 . 1 . . . . . 598 VAL CG2 . 51751 1 381 . 1 . 1 584 584 ILE HD11 H 1 0.90452 0.000 . 1 . . . . . 602 ILE MD . 51751 1 382 . 1 . 1 584 584 ILE HD12 H 1 0.90452 0.000 . 1 . . . . . 602 ILE MD . 51751 1 383 . 1 . 1 584 584 ILE HD13 H 1 0.90452 0.000 . 1 . . . . . 602 ILE MD . 51751 1 384 . 1 . 1 584 584 ILE CD1 C 13 13.05003 0.000 . 1 . . . . . 602 ILE CD1 . 51751 1 385 . 1 . 1 609 609 VAL HG21 H 1 1.14558 0.000 . 1 . . . . . 627 VAL MG2 . 51751 1 386 . 1 . 1 609 609 VAL HG22 H 1 1.14558 0.000 . 1 . . . . . 627 VAL MG2 . 51751 1 387 . 1 . 1 609 609 VAL HG23 H 1 1.14558 0.000 . 1 . . . . . 627 VAL MG2 . 51751 1 388 . 1 . 1 609 609 VAL CG2 C 13 21.13875 0.000 . 1 . . . . . 627 VAL CG2 . 51751 1 389 . 1 . 1 612 612 ILE HD11 H 1 0.97327 0.000 . 1 . . . . . 630 ILE MD . 51751 1 390 . 1 . 1 612 612 ILE HD12 H 1 0.97327 0.000 . 1 . . . . . 630 ILE MD . 51751 1 391 . 1 . 1 612 612 ILE HD13 H 1 0.97327 0.000 . 1 . . . . . 630 ILE MD . 51751 1 392 . 1 . 1 612 612 ILE CD1 C 13 13.52497 0.000 . 1 . . . . . 630 ILE CD1 . 51751 1 393 . 1 . 1 613 613 ILE HD11 H 1 0.86418 0.000 . 1 . . . . . 631 ILE MD . 51751 1 394 . 1 . 1 613 613 ILE HD12 H 1 0.86418 0.000 . 1 . . . . . 631 ILE MD . 51751 1 395 . 1 . 1 613 613 ILE HD13 H 1 0.86418 0.000 . 1 . . . . . 631 ILE MD . 51751 1 396 . 1 . 1 613 613 ILE CD1 C 13 12.29841 0.000 . 1 . . . . . 631 ILE CD1 . 51751 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 51751 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'BiP methyl assignment' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HMQC' . . . 51751 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51751 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 9 9 VAL HG11 H 1 0.49548 0.000 . 1 . . . . . 27 VAL MG1 . 51751 2 2 . 1 . 1 9 9 VAL HG12 H 1 0.49548 0.000 . 1 . . . . . 27 VAL MG1 . 51751 2 3 . 1 . 1 9 9 VAL HG13 H 1 0.49548 0.000 . 1 . . . . . 27 VAL MG1 . 51751 2 4 . 1 . 1 9 9 VAL HG21 H 1 0.73843 0.000 . 1 . . . . . 27 VAL MG2 . 51751 2 5 . 1 . 1 9 9 VAL HG22 H 1 0.73843 0.000 . 1 . . . . . 27 VAL MG2 . 51751 2 6 . 1 . 1 9 9 VAL HG23 H 1 0.73843 0.000 . 1 . . . . . 27 VAL MG2 . 51751 2 7 . 1 . 1 9 9 VAL CG1 C 13 20.87613 0.000 . 1 . . . . . 27 VAL CG1 . 51751 2 8 . 1 . 1 9 9 VAL CG2 C 13 18.99282 0.000 . 1 . . . . . 27 VAL CG2 . 51751 2 9 . 1 . 1 12 12 VAL HG11 H 1 1.00125 0.000 . 1 . . . . . 30 VAL MG1 . 51751 2 10 . 1 . 1 12 12 VAL HG12 H 1 1.00125 0.000 . 1 . . . . . 30 VAL MG1 . 51751 2 11 . 1 . 1 12 12 VAL HG13 H 1 1.00125 0.000 . 1 . . . . . 30 VAL MG1 . 51751 2 12 . 1 . 1 12 12 VAL HG21 H 1 0.89064 0.000 . 1 . . . . . 30 VAL MG2 . 51751 2 13 . 1 . 1 12 12 VAL HG22 H 1 0.89064 0.000 . 1 . . . . . 30 VAL MG2 . 51751 2 14 . 1 . 1 12 12 VAL HG23 H 1 0.89064 0.000 . 1 . . . . . 30 VAL MG2 . 51751 2 15 . 1 . 1 12 12 VAL CG1 C 13 21.58498 0.000 . 1 . . . . . 30 VAL CG1 . 51751 2 16 . 1 . 1 12 12 VAL CG2 C 13 22.0761 0.000 . 1 . . . . . 30 VAL CG2 . 51751 2 17 . 1 . 1 13 13 VAL HG11 H 1 1.10641 0.000 . 1 . . . . . 31 VAL MG1 . 51751 2 18 . 1 . 1 13 13 VAL HG12 H 1 1.10641 0.000 . 1 . . . . . 31 VAL MG1 . 51751 2 19 . 1 . 1 13 13 VAL HG13 H 1 1.10641 0.000 . 1 . . . . . 31 VAL MG1 . 51751 2 20 . 1 . 1 13 13 VAL HG21 H 1 1.05973 0.000 . 1 . . . . . 31 VAL MG2 . 51751 2 21 . 1 . 1 13 13 VAL HG22 H 1 1.05973 0.000 . 1 . . . . . 31 VAL MG2 . 51751 2 22 . 1 . 1 13 13 VAL HG23 H 1 1.05973 0.000 . 1 . . . . . 31 VAL MG2 . 51751 2 23 . 1 . 1 13 13 VAL CG1 C 13 22.10247 0.000 . 1 . . . . . 31 VAL CG1 . 51751 2 24 . 1 . 1 13 13 VAL CG2 C 13 21.9628 0.000 . 1 . . . . . 31 VAL CG2 . 51751 2 25 . 1 . 1 15 15 ILE HD11 H 1 0.65524 0.000 . 1 . . . . . 33 ILE MD . 51751 2 26 . 1 . 1 15 15 ILE HD12 H 1 0.65524 0.000 . 1 . . . . . 33 ILE MD . 51751 2 27 . 1 . 1 15 15 ILE HD13 H 1 0.65524 0.000 . 1 . . . . . 33 ILE MD . 51751 2 28 . 1 . 1 15 15 ILE CD1 C 13 13.74157 0.000 . 1 . . . . . 33 ILE CD1 . 51751 2 29 . 1 . 1 26 26 VAL HG11 H 1 1.0588 0.000 . 1 . . . . . 44 VAL MG1 . 51751 2 30 . 1 . 1 26 26 VAL HG12 H 1 1.0588 0.000 . 1 . . . . . 44 VAL MG1 . 51751 2 31 . 1 . 1 26 26 VAL HG13 H 1 1.0588 0.000 . 1 . . . . . 44 VAL MG1 . 51751 2 32 . 1 . 1 26 26 VAL HG21 H 1 1.05977 0.000 . 1 . . . . . 44 VAL MG2 . 51751 2 33 . 1 . 1 26 26 VAL HG22 H 1 1.05977 0.000 . 1 . . . . . 44 VAL MG2 . 51751 2 34 . 1 . 1 26 26 VAL HG23 H 1 1.05977 0.000 . 1 . . . . . 44 VAL MG2 . 51751 2 35 . 1 . 1 26 26 VAL CG1 C 13 20.92872 0.000 . 1 . . . . . 44 VAL CG1 . 51751 2 36 . 1 . 1 26 26 VAL CG2 C 13 21.29707 0.000 . 1 . . . . . 44 VAL CG2 . 51751 2 37 . 1 . 1 32 32 VAL HG11 H 1 0.35971 0.000 . 1 . . . . . 50 VAL MG1 . 51751 2 38 . 1 . 1 32 32 VAL HG12 H 1 0.35971 0.000 . 1 . . . . . 50 VAL MG1 . 51751 2 39 . 1 . 1 32 32 VAL HG13 H 1 0.35971 0.000 . 1 . . . . . 50 VAL MG1 . 51751 2 40 . 1 . 1 32 32 VAL HG21 H 1 0.72662 0.000 . 1 . . . . . 50 VAL MG2 . 51751 2 41 . 1 . 1 32 32 VAL HG22 H 1 0.72662 0.000 . 1 . . . . . 50 VAL MG2 . 51751 2 42 . 1 . 1 32 32 VAL HG23 H 1 0.72662 0.000 . 1 . . . . . 50 VAL MG2 . 51751 2 43 . 1 . 1 32 32 VAL CG1 C 13 21.38463 0.000 . 1 . . . . . 50 VAL CG1 . 51751 2 44 . 1 . 1 32 32 VAL CG2 C 13 22.96227 0.000 . 1 . . . . . 50 VAL CG2 . 51751 2 45 . 1 . 1 34 34 ILE HD11 H 1 0.61677 0.000 . 1 . . . . . 52 ILE MD . 51751 2 46 . 1 . 1 34 34 ILE HD12 H 1 0.61677 0.000 . 1 . . . . . 52 ILE MD . 51751 2 47 . 1 . 1 34 34 ILE HD13 H 1 0.61677 0.000 . 1 . . . . . 52 ILE MD . 51751 2 48 . 1 . 1 34 34 ILE CD1 C 13 8.76574 0.000 . 1 . . . . . 52 ILE CD1 . 51751 2 49 . 1 . 1 35 35 ILE HD11 H 1 0.64988 0.000 . 1 . . . . . 53 ILE MD . 51751 2 50 . 1 . 1 35 35 ILE HD12 H 1 0.64988 0.000 . 1 . . . . . 53 ILE MD . 51751 2 51 . 1 . 1 35 35 ILE HD13 H 1 0.64988 0.000 . 1 . . . . . 53 ILE MD . 51751 2 52 . 1 . 1 35 35 ILE CD1 C 13 13.52692 0.000 . 1 . . . . . 53 ILE CD1 . 51751 2 53 . 1 . 1 48 48 VAL HG11 H 1 0.67555 0.000 . 1 . . . . . 66 VAL MG1 . 51751 2 54 . 1 . 1 48 48 VAL HG12 H 1 0.67555 0.000 . 1 . . . . . 66 VAL MG1 . 51751 2 55 . 1 . 1 48 48 VAL HG13 H 1 0.67555 0.000 . 1 . . . . . 66 VAL MG1 . 51751 2 56 . 1 . 1 48 48 VAL HG21 H 1 0.7702 0.000 . 1 . . . . . 66 VAL MG2 . 51751 2 57 . 1 . 1 48 48 VAL HG22 H 1 0.7702 0.000 . 1 . . . . . 66 VAL MG2 . 51751 2 58 . 1 . 1 48 48 VAL HG23 H 1 0.7702 0.000 . 1 . . . . . 66 VAL MG2 . 51751 2 59 . 1 . 1 48 48 VAL CG1 C 13 21.26991 0.000 . 1 . . . . . 66 VAL CG1 . 51751 2 60 . 1 . 1 48 48 VAL CG2 C 13 21.79041 0.000 . 1 . . . . . 66 VAL CG2 . 51751 2 61 . 1 . 1 58 58 ILE HD11 H 1 0.78919 0.000 . 1 . . . . . 76 ILE MD . 51751 2 62 . 1 . 1 58 58 ILE HD12 H 1 0.78919 0.000 . 1 . . . . . 76 ILE MD . 51751 2 63 . 1 . 1 58 58 ILE HD13 H 1 0.78919 0.000 . 1 . . . . . 76 ILE MD . 51751 2 64 . 1 . 1 58 58 ILE CD1 C 13 13.37496 0.000 . 1 . . . . . 76 ILE CD1 . 51751 2 65 . 1 . 1 74 74 VAL HG11 H 1 0.1191 0.000 . 1 . . . . . 92 VAL MG1 . 51751 2 66 . 1 . 1 74 74 VAL HG12 H 1 0.1191 0.000 . 1 . . . . . 92 VAL MG1 . 51751 2 67 . 1 . 1 74 74 VAL HG13 H 1 0.1191 0.000 . 1 . . . . . 92 VAL MG1 . 51751 2 68 . 1 . 1 74 74 VAL HG21 H 1 0.40384 0.000 . 1 . . . . . 92 VAL MG2 . 51751 2 69 . 1 . 1 74 74 VAL HG22 H 1 0.40384 0.000 . 1 . . . . . 92 VAL MG2 . 51751 2 70 . 1 . 1 74 74 VAL HG23 H 1 0.40384 0.000 . 1 . . . . . 92 VAL MG2 . 51751 2 71 . 1 . 1 74 74 VAL CG1 C 13 23.11699 0.000 . 1 . . . . . 92 VAL CG1 . 51751 2 72 . 1 . 1 74 74 VAL CG2 C 13 20.91218 0.000 . 1 . . . . . 92 VAL CG2 . 51751 2 73 . 1 . 1 90 90 VAL HG21 H 1 1.11572 0.000 . 1 . . . . . 108 VAL MG2 . 51751 2 74 . 1 . 1 90 90 VAL HG22 H 1 1.11572 0.000 . 1 . . . . . 108 VAL MG2 . 51751 2 75 . 1 . 1 90 90 VAL HG23 H 1 1.11572 0.000 . 1 . . . . . 108 VAL MG2 . 51751 2 76 . 1 . 1 90 90 VAL CG2 C 13 24.02012 0.000 . 1 . . . . . 108 VAL CG2 . 51751 2 77 . 1 . 1 94 94 ILE HD11 H 1 0.5968 0.000 . 1 . . . . . 112 ILE MD . 51751 2 78 . 1 . 1 94 94 ILE HD12 H 1 0.5968 0.000 . 1 . . . . . 112 ILE MD . 51751 2 79 . 1 . 1 94 94 ILE HD13 H 1 0.5968 0.000 . 1 . . . . . 112 ILE MD . 51751 2 80 . 1 . 1 94 94 ILE CD1 C 13 14.17903 0.000 . 1 . . . . . 112 ILE CD1 . 51751 2 81 . 1 . 1 101 101 VAL HG11 H 1 1.14291 0.000 . 1 . . . . . 119 VAL MG1 . 51751 2 82 . 1 . 1 101 101 VAL HG12 H 1 1.14291 0.000 . 1 . . . . . 119 VAL MG1 . 51751 2 83 . 1 . 1 101 101 VAL HG13 H 1 1.14291 0.000 . 1 . . . . . 119 VAL MG1 . 51751 2 84 . 1 . 1 101 101 VAL HG21 H 1 1.05146 0.000 . 1 . . . . . 119 VAL MG2 . 51751 2 85 . 1 . 1 101 101 VAL HG22 H 1 1.05146 0.000 . 1 . . . . . 119 VAL MG2 . 51751 2 86 . 1 . 1 101 101 VAL HG23 H 1 1.05146 0.000 . 1 . . . . . 119 VAL MG2 . 51751 2 87 . 1 . 1 101 101 VAL CG1 C 13 22.67045 0.000 . 1 . . . . . 119 VAL CG1 . 51751 2 88 . 1 . 1 101 101 VAL CG2 C 13 22.61616 0.000 . 1 . . . . . 119 VAL CG2 . 51751 2 89 . 1 . 1 102 102 VAL HG11 H 1 0.65954 0.000 . 1 . . . . . 120 VAL MG1 . 51751 2 90 . 1 . 1 102 102 VAL HG12 H 1 0.65954 0.000 . 1 . . . . . 120 VAL MG1 . 51751 2 91 . 1 . 1 102 102 VAL HG13 H 1 0.65954 0.000 . 1 . . . . . 120 VAL MG1 . 51751 2 92 . 1 . 1 102 102 VAL HG21 H 1 0.67857 0.000 . 1 . . . . . 120 VAL MG2 . 51751 2 93 . 1 . 1 102 102 VAL HG22 H 1 0.67857 0.000 . 1 . . . . . 120 VAL MG2 . 51751 2 94 . 1 . 1 102 102 VAL HG23 H 1 0.67857 0.000 . 1 . . . . . 120 VAL MG2 . 51751 2 95 . 1 . 1 102 102 VAL CG1 C 13 20.77676 0.000 . 1 . . . . . 120 VAL CG1 . 51751 2 96 . 1 . 1 102 102 VAL CG2 C 13 18.38327 0.000 . 1 . . . . . 120 VAL CG2 . 51751 2 97 . 1 . 1 110 110 ILE HD11 H 1 0.7528 0.000 . 1 . . . . . 128 ILE MD . 51751 2 98 . 1 . 1 110 110 ILE HD12 H 1 0.7528 0.000 . 1 . . . . . 128 ILE MD . 51751 2 99 . 1 . 1 110 110 ILE HD13 H 1 0.7528 0.000 . 1 . . . . . 128 ILE MD . 51751 2 100 . 1 . 1 110 110 ILE CD1 C 13 15.05407 0.000 . 1 . . . . . 128 ILE CD1 . 51751 2 101 . 1 . 1 112 112 VAL HG11 H 1 0.8291 0.000 . 1 . . . . . 130 VAL MG1 . 51751 2 102 . 1 . 1 112 112 VAL HG12 H 1 0.8291 0.000 . 1 . . . . . 130 VAL MG1 . 51751 2 103 . 1 . 1 112 112 VAL HG13 H 1 0.8291 0.000 . 1 . . . . . 130 VAL MG1 . 51751 2 104 . 1 . 1 112 112 VAL HG21 H 1 0.63358 0.000 . 1 . . . . . 130 VAL MG2 . 51751 2 105 . 1 . 1 112 112 VAL HG22 H 1 0.63358 0.000 . 1 . . . . . 130 VAL MG2 . 51751 2 106 . 1 . 1 112 112 VAL HG23 H 1 0.63358 0.000 . 1 . . . . . 130 VAL MG2 . 51751 2 107 . 1 . 1 112 112 VAL CG1 C 13 22.08966 0.000 . 1 . . . . . 130 VAL CG1 . 51751 2 108 . 1 . 1 112 112 VAL CG2 C 13 18.58809 0.000 . 1 . . . . . 130 VAL CG2 . 51751 2 109 . 1 . 1 114 114 ILE HD11 H 1 0.81627 0.000 . 1 . . . . . 132 ILE MD . 51751 2 110 . 1 . 1 114 114 ILE HD12 H 1 0.81627 0.000 . 1 . . . . . 132 ILE MD . 51751 2 111 . 1 . 1 114 114 ILE HD13 H 1 0.81627 0.000 . 1 . . . . . 132 ILE MD . 51751 2 112 . 1 . 1 114 114 ILE CD1 C 13 14.36889 0.000 . 1 . . . . . 132 ILE CD1 . 51751 2 113 . 1 . 1 127 127 ILE HD11 H 1 0.23363 0.000 . 1 . . . . . 145 ILE MD . 51751 2 114 . 1 . 1 127 127 ILE HD12 H 1 0.23363 0.000 . 1 . . . . . 145 ILE MD . 51751 2 115 . 1 . 1 127 127 ILE HD13 H 1 0.23363 0.000 . 1 . . . . . 145 ILE MD . 51751 2 116 . 1 . 1 127 127 ILE CD1 C 13 6.74754 0.000 . 1 . . . . . 145 ILE CD1 . 51751 2 117 . 1 . 1 130 130 MET HE1 H 1 1.42956 0.000 . 1 . . . . . 148 MET ME . 51751 2 118 . 1 . 1 130 130 MET HE2 H 1 1.42956 0.000 . 1 . . . . . 148 MET ME . 51751 2 119 . 1 . 1 130 130 MET HE3 H 1 1.42956 0.000 . 1 . . . . . 148 MET ME . 51751 2 120 . 1 . 1 130 130 MET CE C 13 18.03561 0.000 . 1 . . . . . 148 MET CE . 51751 2 121 . 1 . 1 135 135 MET HE1 H 1 1.98687 0.000 . 1 . . . . . 153 MET ME . 51751 2 122 . 1 . 1 135 135 MET HE2 H 1 1.98687 0.000 . 1 . . . . . 153 MET ME . 51751 2 123 . 1 . 1 135 135 MET HE3 H 1 1.98687 0.000 . 1 . . . . . 153 MET ME . 51751 2 124 . 1 . 1 135 135 MET CE C 13 16.39192 0.000 . 1 . . . . . 153 MET CE . 51751 2 125 . 1 . 1 152 152 VAL HG21 H 1 0.86684 0.000 . 1 . . . . . 170 VAL MG2 . 51751 2 126 . 1 . 1 152 152 VAL HG22 H 1 0.86684 0.000 . 1 . . . . . 170 VAL MG2 . 51751 2 127 . 1 . 1 152 152 VAL HG23 H 1 0.86684 0.000 . 1 . . . . . 170 VAL MG2 . 51751 2 128 . 1 . 1 152 152 VAL CG2 C 13 22.62335 0.000 . 1 . . . . . 170 VAL CG2 . 51751 2 129 . 1 . 1 154 154 VAL HG21 H 1 0.81066 0.000 . 1 . . . . . 172 VAL MG2 . 51751 2 130 . 1 . 1 154 154 VAL HG22 H 1 0.81066 0.000 . 1 . . . . . 172 VAL MG2 . 51751 2 131 . 1 . 1 154 154 VAL HG23 H 1 0.81066 0.000 . 1 . . . . . 172 VAL MG2 . 51751 2 132 . 1 . 1 154 154 VAL CG2 C 13 18.43731 0.000 . 1 . . . . . 172 VAL CG2 . 51751 2 133 . 1 . 1 172 172 ILE HD11 H 1 0.72727 0.000 . 1 . . . . . 190 ILE MD . 51751 2 134 . 1 . 1 172 172 ILE HD12 H 1 0.72727 0.000 . 1 . . . . . 190 ILE MD . 51751 2 135 . 1 . 1 172 172 ILE HD13 H 1 0.72727 0.000 . 1 . . . . . 190 ILE MD . 51751 2 136 . 1 . 1 172 172 ILE CD1 C 13 14.83589 0.000 . 1 . . . . . 190 ILE CD1 . 51751 2 137 . 1 . 1 177 177 VAL HG11 H 1 0.84607 0.000 . 1 . . . . . 195 VAL MG1 . 51751 2 138 . 1 . 1 177 177 VAL HG12 H 1 0.84607 0.000 . 1 . . . . . 195 VAL MG1 . 51751 2 139 . 1 . 1 177 177 VAL HG13 H 1 0.84607 0.000 . 1 . . . . . 195 VAL MG1 . 51751 2 140 . 1 . 1 177 177 VAL HG21 H 1 0.92448 0.000 . 1 . . . . . 195 VAL MG2 . 51751 2 141 . 1 . 1 177 177 VAL HG22 H 1 0.92448 0.000 . 1 . . . . . 195 VAL MG2 . 51751 2 142 . 1 . 1 177 177 VAL HG23 H 1 0.92448 0.000 . 1 . . . . . 195 VAL MG2 . 51751 2 143 . 1 . 1 177 177 VAL CG1 C 13 22.79134 0.000 . 1 . . . . . 195 VAL CG1 . 51751 2 144 . 1 . 1 177 177 VAL CG2 C 13 21.99009 0.000 . 1 . . . . . 195 VAL CG2 . 51751 2 145 . 1 . 1 178 178 MET HE1 H 1 2.14084 0.000 . 1 . . . . . 196 MET ME . 51751 2 146 . 1 . 1 178 178 MET HE2 H 1 2.14084 0.000 . 1 . . . . . 196 MET ME . 51751 2 147 . 1 . 1 178 178 MET HE3 H 1 2.14084 0.000 . 1 . . . . . 196 MET ME . 51751 2 148 . 1 . 1 178 178 MET CE C 13 17.49471 0.000 . 1 . . . . . 196 MET CE . 51751 2 149 . 1 . 1 180 180 ILE HD11 H 1 0.78406 0.000 . 1 . . . . . 198 ILE MD . 51751 2 150 . 1 . 1 180 180 ILE HD12 H 1 0.78406 0.000 . 1 . . . . . 198 ILE MD . 51751 2 151 . 1 . 1 180 180 ILE HD13 H 1 0.78406 0.000 . 1 . . . . . 198 ILE MD . 51751 2 152 . 1 . 1 180 180 ILE CD1 C 13 12.92047 0.000 . 1 . . . . . 198 ILE CD1 . 51751 2 153 . 1 . 1 181 181 ILE HD11 H 1 0.54565 0.000 . 1 . . . . . 199 ILE MD . 51751 2 154 . 1 . 1 181 181 ILE HD12 H 1 0.54565 0.000 . 1 . . . . . 199 ILE MD . 51751 2 155 . 1 . 1 181 181 ILE HD13 H 1 0.54565 0.000 . 1 . . . . . 199 ILE MD . 51751 2 156 . 1 . 1 181 181 ILE CD1 C 13 13.42633 0.000 . 1 . . . . . 199 ILE CD1 . 51751 2 157 . 1 . 1 189 189 ILE HD11 H 1 00.50203 0.000 . 1 . . . . . 207 ILE MD . 51751 2 158 . 1 . 1 189 189 ILE HD12 H 1 00.50203 0.000 . 1 . . . . . 207 ILE MD . 51751 2 159 . 1 . 1 189 189 ILE HD13 H 1 00.50203 0.000 . 1 . . . . . 207 ILE MD . 51751 2 160 . 1 . 1 189 189 ILE CD1 C 13 13.86173 0.000 . 1 . . . . . 207 ILE CD1 . 51751 2 161 . 1 . 1 202 202 ILE HD11 H 1 0.9023 0.000 . 1 . . . . . 220 ILE MD . 51751 2 162 . 1 . 1 202 202 ILE HD12 H 1 0.9023 0.000 . 1 . . . . . 220 ILE MD . 51751 2 163 . 1 . 1 202 202 ILE HD13 H 1 0.9023 0.000 . 1 . . . . . 220 ILE MD . 51751 2 164 . 1 . 1 202 202 ILE CD1 C 13 14.55097 0.000 . 1 . . . . . 220 ILE CD1 . 51751 2 165 . 1 . 1 204 204 VAL HG21 H 1 0.7742 0.000 . 1 . . . . . 222 VAL MG2 . 51751 2 166 . 1 . 1 204 204 VAL HG22 H 1 0.7742 0.000 . 1 . . . . . 222 VAL MG2 . 51751 2 167 . 1 . 1 204 204 VAL HG23 H 1 0.7742 0.000 . 1 . . . . . 222 VAL MG2 . 51751 2 168 . 1 . 1 204 204 VAL CG2 C 13 20.5488 0.000 . 1 . . . . . 222 VAL CG2 . 51751 2 169 . 1 . 1 214 214 VAL HG11 H 1 0.78448 0.000 . 1 . . . . . 232 VAL MG1 . 51751 2 170 . 1 . 1 214 214 VAL HG12 H 1 0.78448 0.000 . 1 . . . . . 232 VAL MG1 . 51751 2 171 . 1 . 1 214 214 VAL HG13 H 1 0.78448 0.000 . 1 . . . . . 232 VAL MG1 . 51751 2 172 . 1 . 1 214 214 VAL HG21 H 1 0.66635 0.000 . 1 . . . . . 232 VAL MG2 . 51751 2 173 . 1 . 1 214 214 VAL HG22 H 1 0.66635 0.000 . 1 . . . . . 232 VAL MG2 . 51751 2 174 . 1 . 1 214 214 VAL HG23 H 1 0.66635 0.000 . 1 . . . . . 232 VAL MG2 . 51751 2 175 . 1 . 1 214 214 VAL CG1 C 13 22.25506 0.000 . 1 . . . . . 232 VAL CG1 . 51751 2 176 . 1 . 1 214 214 VAL CG2 C 13 24.4607 0.000 . 1 . . . . . 232 VAL CG2 . 51751 2 177 . 1 . 1 219 219 ILE HD11 H 1 0.15883 0.000 . 1 . . . . . 237 ILE MD . 51751 2 178 . 1 . 1 219 219 ILE HD12 H 1 0.15883 0.000 . 1 . . . . . 237 ILE MD . 51751 2 179 . 1 . 1 219 219 ILE HD13 H 1 0.15883 0.000 . 1 . . . . . 237 ILE MD . 51751 2 180 . 1 . 1 219 219 ILE CD1 C 13 13.71424 0.000 . 1 . . . . . 237 ILE CD1 . 51751 2 181 . 1 . 1 223 223 VAL HG21 H 1 0.94812 0.000 . 1 . . . . . 241 VAL MG2 . 51751 2 182 . 1 . 1 223 223 VAL HG22 H 1 0.94812 0.000 . 1 . . . . . 241 VAL MG2 . 51751 2 183 . 1 . 1 223 223 VAL HG23 H 1 0.94812 0.000 . 1 . . . . . 241 VAL MG2 . 51751 2 184 . 1 . 1 223 223 VAL CG2 C 13 20.78141 0.000 . 1 . . . . . 241 VAL CG2 . 51751 2 185 . 1 . 1 244 244 VAL HG11 H 1 1.28092 0.000 . 1 . . . . . 262 VAL MG1 . 51751 2 186 . 1 . 1 244 244 VAL HG12 H 1 1.28092 0.000 . 1 . . . . . 262 VAL MG1 . 51751 2 187 . 1 . 1 244 244 VAL HG13 H 1 1.28092 0.000 . 1 . . . . . 262 VAL MG1 . 51751 2 188 . 1 . 1 244 244 VAL HG21 H 1 1.36058 0.000 . 1 . . . . . 262 VAL MG2 . 51751 2 189 . 1 . 1 244 244 VAL HG22 H 1 1.36058 0.000 . 1 . . . . . 262 VAL MG2 . 51751 2 190 . 1 . 1 244 244 VAL HG23 H 1 1.36058 0.000 . 1 . . . . . 262 VAL MG2 . 51751 2 191 . 1 . 1 244 244 VAL CG1 C 13 25.00993 0.000 . 1 . . . . . 262 VAL CG1 . 51751 2 192 . 1 . 1 244 244 VAL CG2 C 13 23.09415 0.000 . 1 . . . . . 262 VAL CG2 . 51751 2 193 . 1 . 1 245 245 MET HE1 H 1 2.14966 0.000 . 1 . . . . . 263 MET ME . 51751 2 194 . 1 . 1 245 245 MET HE2 H 1 2.14966 0.000 . 1 . . . . . 263 MET ME . 51751 2 195 . 1 . 1 245 245 MET HE3 H 1 2.14966 0.000 . 1 . . . . . 263 MET ME . 51751 2 196 . 1 . 1 245 245 MET CE C 13 17.40384 0.000 . 1 . . . . . 263 MET CE . 51751 2 197 . 1 . 1 249 249 ILE HD11 H 1 0.92024 0.000 . 1 . . . . . 267 ILE MD . 51751 2 198 . 1 . 1 249 249 ILE HD12 H 1 0.92024 0.000 . 1 . . . . . 267 ILE MD . 51751 2 199 . 1 . 1 249 249 ILE HD13 H 1 0.92024 0.000 . 1 . . . . . 267 ILE MD . 51751 2 200 . 1 . 1 249 249 ILE CD1 C 13 13.51891 0.000 . 1 . . . . . 267 ILE CD1 . 51751 2 201 . 1 . 1 260 260 VAL HG11 H 1 0.11423 0.000 . 1 . . . . . 278 VAL MG1 . 51751 2 202 . 1 . 1 260 260 VAL HG12 H 1 0.11423 0.000 . 1 . . . . . 278 VAL MG1 . 51751 2 203 . 1 . 1 260 260 VAL HG13 H 1 0.11423 0.000 . 1 . . . . . 278 VAL MG1 . 51751 2 204 . 1 . 1 260 260 VAL HG21 H 1 0.71844 0.000 . 1 . . . . . 278 VAL MG2 . 51751 2 205 . 1 . 1 260 260 VAL HG22 H 1 0.71844 0.000 . 1 . . . . . 278 VAL MG2 . 51751 2 206 . 1 . 1 260 260 VAL HG23 H 1 0.71844 0.000 . 1 . . . . . 278 VAL MG2 . 51751 2 207 . 1 . 1 260 260 VAL CG1 C 13 20.38615 0.000 . 1 . . . . . 278 VAL CG1 . 51751 2 208 . 1 . 1 260 260 VAL CG2 C 13 18.59883 0.000 . 1 . . . . . 278 VAL CG2 . 51751 2 209 . 1 . 1 267 267 VAL HG21 H 1 1.10198 0.000 . 1 . . . . . 285 VAL MG2 . 51751 2 210 . 1 . 1 267 267 VAL HG22 H 1 1.10198 0.000 . 1 . . . . . 285 VAL MG2 . 51751 2 211 . 1 . 1 267 267 VAL HG23 H 1 1.10198 0.000 . 1 . . . . . 285 VAL MG2 . 51751 2 212 . 1 . 1 267 267 VAL CG2 C 13 23.9244 0.000 . 1 . . . . . 285 VAL CG2 . 51751 2 213 . 1 . 1 289 289 ILE HD11 H 1 0.56761 0.000 . 1 . . . . . 307 ILE MD . 51751 2 214 . 1 . 1 289 289 ILE HD12 H 1 0.56761 0.000 . 1 . . . . . 307 ILE MD . 51751 2 215 . 1 . 1 289 289 ILE HD13 H 1 0.56761 0.000 . 1 . . . . . 307 ILE MD . 51751 2 216 . 1 . 1 289 289 ILE CD1 C 13 14.62767 0.000 . 1 . . . . . 307 ILE CD1 . 51751 2 217 . 1 . 1 291 291 ILE HD11 H 1 0.17873 0.000 . 1 . . . . . 309 ILE MD . 51751 2 218 . 1 . 1 291 291 ILE HD12 H 1 0.17873 0.000 . 1 . . . . . 309 ILE MD . 51751 2 219 . 1 . 1 291 291 ILE HD13 H 1 0.17873 0.000 . 1 . . . . . 309 ILE MD . 51751 2 220 . 1 . 1 291 291 ILE CD1 C 13 14.04332 0.000 . 1 . . . . . 309 ILE CD1 . 51751 2 221 . 1 . 1 314 314 MET HE1 H 1 2.12646 0.000 . 1 . . . . . 332 MET ME . 51751 2 222 . 1 . 1 314 314 MET HE2 H 1 2.12646 0.000 . 1 . . . . . 332 MET ME . 51751 2 223 . 1 . 1 314 314 MET HE3 H 1 2.12646 0.000 . 1 . . . . . 332 MET ME . 51751 2 224 . 1 . 1 314 314 MET CE C 13 16.67259 0.000 . 1 . . . . . 332 MET CE . 51751 2 225 . 1 . 1 321 321 MET HE1 H 1 1.86376 0.000 . 1 . . . . . 339 MET ME . 51751 2 226 . 1 . 1 321 321 MET HE2 H 1 1.86376 0.000 . 1 . . . . . 339 MET ME . 51751 2 227 . 1 . 1 321 321 MET HE3 H 1 1.86376 0.000 . 1 . . . . . 339 MET ME . 51751 2 228 . 1 . 1 321 321 MET CE C 13 18.85527 0.000 . 1 . . . . . 339 MET CE . 51751 2 229 . 1 . 1 324 324 VAL HG11 H 1 0.69552 0.000 . 1 . . . . . 342 VAL MG1 . 51751 2 230 . 1 . 1 324 324 VAL HG12 H 1 0.69552 0.000 . 1 . . . . . 342 VAL MG1 . 51751 2 231 . 1 . 1 324 324 VAL HG13 H 1 0.69552 0.000 . 1 . . . . . 342 VAL MG1 . 51751 2 232 . 1 . 1 324 324 VAL HG21 H 1 1.46254 0.000 . 1 . . . . . 342 VAL MG2 . 51751 2 233 . 1 . 1 324 324 VAL HG22 H 1 1.46254 0.000 . 1 . . . . . 342 VAL MG2 . 51751 2 234 . 1 . 1 324 324 VAL HG23 H 1 1.46254 0.000 . 1 . . . . . 342 VAL MG2 . 51751 2 235 . 1 . 1 324 324 VAL CG1 C 13 23.32338 0.000 . 1 . . . . . 342 VAL CG1 . 51751 2 236 . 1 . 1 324 324 VAL CG2 C 13 23.1082 0.000 . 1 . . . . . 342 VAL CG2 . 51751 2 237 . 1 . 1 327 327 VAL HG11 H 1 0.89344 0.000 . 1 . . . . . 345 VAL MG1 . 51751 2 238 . 1 . 1 327 327 VAL HG12 H 1 0.89344 0.000 . 1 . . . . . 345 VAL MG1 . 51751 2 239 . 1 . 1 327 327 VAL HG13 H 1 0.89344 0.000 . 1 . . . . . 345 VAL MG1 . 51751 2 240 . 1 . 1 327 327 VAL HG21 H 1 1.04994 0.000 . 1 . . . . . 345 VAL MG2 . 51751 2 241 . 1 . 1 327 327 VAL HG22 H 1 1.04994 0.000 . 1 . . . . . 345 VAL MG2 . 51751 2 242 . 1 . 1 327 327 VAL HG23 H 1 1.04994 0.000 . 1 . . . . . 345 VAL MG2 . 51751 2 243 . 1 . 1 327 327 VAL CG1 C 13 22.67727 0.000 . 1 . . . . . 345 VAL CG1 . 51751 2 244 . 1 . 1 327 327 VAL CG2 C 13 22.46106 0.000 . 1 . . . . . 345 VAL CG2 . 51751 2 245 . 1 . 1 338 338 ILE HD11 H 1 0.69505 0.000 . 1 . . . . . 356 ILE MD . 51751 2 246 . 1 . 1 338 338 ILE HD12 H 1 0.69505 0.000 . 1 . . . . . 356 ILE MD . 51751 2 247 . 1 . 1 338 338 ILE HD13 H 1 0.69505 0.000 . 1 . . . . . 356 ILE MD . 51751 2 248 . 1 . 1 338 338 ILE CD1 C 13 10.92758 0.000 . 1 . . . . . 356 ILE CD1 . 51751 2 249 . 1 . 1 341 341 ILE HD11 H 1 0.09924 0.000 . 1 . . . . . 359 ILE MD . 51751 2 250 . 1 . 1 341 341 ILE HD12 H 1 0.09924 0.000 . 1 . . . . . 359 ILE MD . 51751 2 251 . 1 . 1 341 341 ILE HD13 H 1 0.09924 0.000 . 1 . . . . . 359 ILE MD . 51751 2 252 . 1 . 1 341 341 ILE CD1 C 13 14.68255 0.000 . 1 . . . . . 359 ILE CD1 . 51751 2 253 . 1 . 1 342 342 VAL HG11 H 1 0.6747 0.000 . 1 . . . . . 360 VAL MG1 . 51751 2 254 . 1 . 1 342 342 VAL HG12 H 1 0.6747 0.000 . 1 . . . . . 360 VAL MG1 . 51751 2 255 . 1 . 1 342 342 VAL HG13 H 1 0.6747 0.000 . 1 . . . . . 360 VAL MG1 . 51751 2 256 . 1 . 1 342 342 VAL HG21 H 1 0.2115 0.000 . 1 . . . . . 360 VAL MG2 . 51751 2 257 . 1 . 1 342 342 VAL HG22 H 1 0.2115 0.000 . 1 . . . . . 360 VAL MG2 . 51751 2 258 . 1 . 1 342 342 VAL HG23 H 1 0.2115 0.000 . 1 . . . . . 360 VAL MG2 . 51751 2 259 . 1 . 1 342 342 VAL CG1 C 13 21.67646 0.000 . 1 . . . . . 360 VAL CG1 . 51751 2 260 . 1 . 1 342 342 VAL CG2 C 13 20.45608 0.000 . 1 . . . . . 360 VAL CG2 . 51751 2 261 . 1 . 1 344 344 VAL HG11 H 1 1.03119 0.000 . 1 . . . . . 362 VAL MG1 . 51751 2 262 . 1 . 1 344 344 VAL HG12 H 1 1.03119 0.000 . 1 . . . . . 362 VAL MG1 . 51751 2 263 . 1 . 1 344 344 VAL HG13 H 1 1.03119 0.000 . 1 . . . . . 362 VAL MG1 . 51751 2 264 . 1 . 1 344 344 VAL CG1 C 13 23.10889 0.000 . 1 . . . . . 362 VAL CG1 . 51751 2 265 . 1 . 1 350 350 ILE HD11 H 1 1.32263 0.000 . 1 . . . . . 368 ILE MD . 51751 2 266 . 1 . 1 350 350 ILE HD12 H 1 1.32263 0.000 . 1 . . . . . 368 ILE MD . 51751 2 267 . 1 . 1 350 350 ILE HD13 H 1 1.32263 0.000 . 1 . . . . . 368 ILE MD . 51751 2 268 . 1 . 1 350 350 ILE CD1 C 13 14.40406 0.000 . 1 . . . . . 368 ILE CD1 . 51751 2 269 . 1 . 1 353 353 ILE HD11 H 1 0.42103 0.000 . 1 . . . . . 371 ILE MD . 51751 2 270 . 1 . 1 353 353 ILE HD12 H 1 0.42103 0.000 . 1 . . . . . 371 ILE MD . 51751 2 271 . 1 . 1 353 353 ILE HD13 H 1 0.42103 0.000 . 1 . . . . . 371 ILE MD . 51751 2 272 . 1 . 1 353 353 ILE CD1 C 13 9.03475 0.000 . 1 . . . . . 371 ILE CD1 . 51751 2 273 . 1 . 1 357 357 VAL HG21 H 1 0.40363 0.000 . 1 . . . . . 375 VAL MG2 . 51751 2 274 . 1 . 1 357 357 VAL HG22 H 1 0.40363 0.000 . 1 . . . . . 375 VAL MG2 . 51751 2 275 . 1 . 1 357 357 VAL HG23 H 1 0.40363 0.000 . 1 . . . . . 375 VAL MG2 . 51751 2 276 . 1 . 1 357 357 VAL CG2 C 13 22.84778 0.000 . 1 . . . . . 375 VAL CG2 . 51751 2 277 . 1 . 1 382 382 VAL HG11 H 1 0.79213 0.000 . 1 . . . . . 400 VAL MG1 . 51751 2 278 . 1 . 1 382 382 VAL HG12 H 1 0.79213 0.000 . 1 . . . . . 400 VAL MG1 . 51751 2 279 . 1 . 1 382 382 VAL HG13 H 1 0.79213 0.000 . 1 . . . . . 400 VAL MG1 . 51751 2 280 . 1 . 1 382 382 VAL HG21 H 1 0.90294 0.000 . 1 . . . . . 400 VAL MG2 . 51751 2 281 . 1 . 1 382 382 VAL HG22 H 1 0.90294 0.000 . 1 . . . . . 400 VAL MG2 . 51751 2 282 . 1 . 1 382 382 VAL HG23 H 1 0.90294 0.000 . 1 . . . . . 400 VAL MG2 . 51751 2 283 . 1 . 1 382 382 VAL CG1 C 13 20.98581 0.000 . 1 . . . . . 400 VAL CG1 . 51751 2 284 . 1 . 1 382 382 VAL CG2 C 13 23.01479 0.000 . 1 . . . . . 400 VAL CG2 . 51751 2 285 . 1 . 1 386 386 VAL HG21 H 1 1.07836 0.000 . 1 . . . . . 404 VAL MG2 . 51751 2 286 . 1 . 1 386 386 VAL HG22 H 1 1.07836 0.000 . 1 . . . . . 404 VAL MG2 . 51751 2 287 . 1 . 1 386 386 VAL HG23 H 1 1.07836 0.000 . 1 . . . . . 404 VAL MG2 . 51751 2 288 . 1 . 1 386 386 VAL CG2 C 13 20.29558 0.000 . 1 . . . . . 404 VAL CG2 . 51751 2 289 . 1 . 1 401 401 VAL HG21 H 1 1.02425 0.000 . 1 . . . . . 419 VAL MG2 . 51751 2 290 . 1 . 1 401 401 VAL HG22 H 1 1.02425 0.000 . 1 . . . . . 419 VAL MG2 . 51751 2 291 . 1 . 1 401 401 VAL HG23 H 1 1.02425 0.000 . 1 . . . . . 419 VAL MG2 . 51751 2 292 . 1 . 1 401 401 VAL CG2 C 13 20.01319 0.000 . 1 . . . . . 419 VAL CG2 . 51751 2 293 . 1 . 1 408 408 ILE HD11 H 1 -0.09339 0.000 . 1 . . . . . 426 ILE MD . 51751 2 294 . 1 . 1 408 408 ILE HD12 H 1 -0.09339 0.000 . 1 . . . . . 426 ILE MD . 51751 2 295 . 1 . 1 408 408 ILE HD13 H 1 -0.09339 0.000 . 1 . . . . . 426 ILE MD . 51751 2 296 . 1 . 1 408 408 ILE CD1 C 13 13.84742 0.000 . 1 . . . . . 426 ILE CD1 . 51751 2 297 . 1 . 1 415 415 MET HE1 H 1 1.89799 0.000 . 1 . . . . . 433 MET ME . 51751 2 298 . 1 . 1 415 415 MET HE2 H 1 1.89799 0.000 . 1 . . . . . 433 MET ME . 51751 2 299 . 1 . 1 415 415 MET HE3 H 1 1.89799 0.000 . 1 . . . . . 433 MET ME . 51751 2 300 . 1 . 1 415 415 MET CE C 13 18.93098 0.000 . 1 . . . . . 433 MET CE . 51751 2 301 . 1 . 1 419 419 ILE HD11 H 1 1.00272 0.000 . 1 . . . . . 437 ILE MD . 51751 2 302 . 1 . 1 419 419 ILE HD12 H 1 1.00272 0.000 . 1 . . . . . 437 ILE MD . 51751 2 303 . 1 . 1 419 419 ILE HD13 H 1 1.00272 0.000 . 1 . . . . . 437 ILE MD . 51751 2 304 . 1 . 1 419 419 ILE CD1 C 13 13.96878 0.000 . 1 . . . . . 437 ILE CD1 . 51751 2 305 . 1 . 1 424 424 VAL HG21 H 1 0.67846 0.000 . 1 . . . . . 442 VAL MG2 . 51751 2 306 . 1 . 1 424 424 VAL HG22 H 1 0.67846 0.000 . 1 . . . . . 442 VAL MG2 . 51751 2 307 . 1 . 1 424 424 VAL HG23 H 1 0.67846 0.000 . 1 . . . . . 442 VAL MG2 . 51751 2 308 . 1 . 1 424 424 VAL CG2 C 13 17.95195 0.000 . 1 . . . . . 442 VAL CG2 . 51751 2 309 . 1 . 1 425 425 VAL HG21 H 1 0.68364 0.000 . 1 . . . . . 443 VAL MG2 . 51751 2 310 . 1 . 1 425 425 VAL HG22 H 1 0.68364 0.000 . 1 . . . . . 443 VAL MG2 . 51751 2 311 . 1 . 1 425 425 VAL HG23 H 1 0.68364 0.000 . 1 . . . . . 443 VAL MG2 . 51751 2 312 . 1 . 1 425 425 VAL CG2 C 13 18.47973 0.000 . 1 . . . . . 443 VAL CG2 . 51751 2 313 . 1 . 1 443 443 VAL HG21 H 1 0.83845 0.000 . 1 . . . . . 461 VAL MG2 . 51751 2 314 . 1 . 1 443 443 VAL HG22 H 1 0.83845 0.000 . 1 . . . . . 461 VAL MG2 . 51751 2 315 . 1 . 1 443 443 VAL HG23 H 1 0.83845 0.000 . 1 . . . . . 461 VAL MG2 . 51751 2 316 . 1 . 1 443 443 VAL CG2 C 13 21.7583 0.000 . 1 . . . . . 461 VAL CG2 . 51751 2 317 . 1 . 1 445 445 ILE HD11 H 1 0.6731 0.000 . 1 . . . . . 463 ILE MD . 51751 2 318 . 1 . 1 445 445 ILE HD12 H 1 0.6731 0.000 . 1 . . . . . 463 ILE MD . 51751 2 319 . 1 . 1 445 445 ILE HD13 H 1 0.6731 0.000 . 1 . . . . . 463 ILE MD . 51751 2 320 . 1 . 1 445 445 ILE CD1 C 13 10.49141 0.000 . 1 . . . . . 463 ILE CD1 . 51751 2 321 . 1 . 1 469 469 ILE HD11 H 1 0.60328 0.000 . 1 . . . . . 487 ILE MD . 51751 2 322 . 1 . 1 469 469 ILE HD12 H 1 0.60328 0.000 . 1 . . . . . 487 ILE MD . 51751 2 323 . 1 . 1 469 469 ILE HD13 H 1 0.60328 0.000 . 1 . . . . . 487 ILE MD . 51751 2 324 . 1 . 1 469 469 ILE CD1 C 13 12.87487 0.000 . 1 . . . . . 487 ILE CD1 . 51751 2 325 . 1 . 1 476 476 VAL HG21 H 1 1.04178 0.000 . 1 . . . . . 494 VAL MG2 . 51751 2 326 . 1 . 1 476 476 VAL HG22 H 1 1.04178 0.000 . 1 . . . . . 494 VAL MG2 . 51751 2 327 . 1 . 1 476 476 VAL HG23 H 1 1.04178 0.000 . 1 . . . . . 494 VAL MG2 . 51751 2 328 . 1 . 1 476 476 VAL CG2 C 13 21.43441 0.000 . 1 . . . . . 494 VAL CG2 . 51751 2 329 . 1 . 1 479 479 ILE HD11 H 1 0.78485 0.000 . 1 . . . . . 497 ILE MD . 51751 2 330 . 1 . 1 479 479 ILE HD12 H 1 0.78485 0.000 . 1 . . . . . 497 ILE MD . 51751 2 331 . 1 . 1 479 479 ILE HD13 H 1 0.78485 0.000 . 1 . . . . . 497 ILE MD . 51751 2 332 . 1 . 1 479 479 ILE CD1 C 13 12.15993 0.000 . 1 . . . . . 497 ILE CD1 . 51751 2 333 . 1 . 1 485 485 ILE HD11 H 1 0.88206 0.000 . 1 . . . . . 503 ILE MD . 51751 2 334 . 1 . 1 485 485 ILE HD12 H 1 0.88206 0.000 . 1 . . . . . 503 ILE MD . 51751 2 335 . 1 . 1 485 485 ILE HD13 H 1 0.88206 0.000 . 1 . . . . . 503 ILE MD . 51751 2 336 . 1 . 1 485 485 ILE CD1 C 13 13.98348 0.000 . 1 . . . . . 503 ILE CD1 . 51751 2 337 . 1 . 1 487 487 VAL HG21 H 1 1.10063 0.000 . 1 . . . . . 505 VAL MG2 . 51751 2 338 . 1 . 1 487 487 VAL HG22 H 1 1.10063 0.000 . 1 . . . . . 505 VAL MG2 . 51751 2 339 . 1 . 1 487 487 VAL HG23 H 1 1.10063 0.000 . 1 . . . . . 505 VAL MG2 . 51751 2 340 . 1 . 1 487 487 VAL CG2 C 13 21.30427 0.000 . 1 . . . . . 505 VAL CG2 . 51751 2 341 . 1 . 1 490 490 ILE HD11 H 1 0.87493 0.000 . 1 . . . . . 508 ILE MD . 51751 2 342 . 1 . 1 490 490 ILE HD12 H 1 0.87493 0.000 . 1 . . . . . 508 ILE MD . 51751 2 343 . 1 . 1 490 490 ILE HD13 H 1 0.87493 0.000 . 1 . . . . . 508 ILE MD . 51751 2 344 . 1 . 1 490 490 ILE CD1 C 13 11.8566 0.000 . 1 . . . . . 508 ILE CD1 . 51751 2 345 . 1 . 1 493 493 VAL HG21 H 1 1.05657 0.000 . 1 . . . . . 511 VAL MG2 . 51751 2 346 . 1 . 1 493 493 VAL HG22 H 1 1.05657 0.000 . 1 . . . . . 511 VAL MG2 . 51751 2 347 . 1 . 1 493 493 VAL HG23 H 1 1.05657 0.000 . 1 . . . . . 511 VAL MG2 . 51751 2 348 . 1 . 1 493 493 VAL CG2 C 13 22.51724 0.000 . 1 . . . . . 511 VAL CG2 . 51751 2 349 . 1 . 1 506 506 ILE HD11 H 1 0.16607 0.000 . 1 . . . . . 524 ILE MD . 51751 2 350 . 1 . 1 506 506 ILE HD12 H 1 0.16607 0.000 . 1 . . . . . 524 ILE MD . 51751 2 351 . 1 . 1 506 506 ILE HD13 H 1 0.16607 0.000 . 1 . . . . . 524 ILE MD . 51751 2 352 . 1 . 1 506 506 ILE CD1 C 13 12.59336 0.000 . 1 . . . . . 524 ILE CD1 . 51751 2 353 . 1 . 1 508 508 ILE HD11 H 1 0.68045 0.000 . 1 . . . . . 526 ILE MD . 51751 2 354 . 1 . 1 508 508 ILE HD12 H 1 0.68045 0.000 . 1 . . . . . 526 ILE MD . 51751 2 355 . 1 . 1 508 508 ILE HD13 H 1 0.68045 0.000 . 1 . . . . . 526 ILE MD . 51751 2 356 . 1 . 1 508 508 ILE CD1 C 13 13.78959 0.000 . 1 . . . . . 526 ILE CD1 . 51751 2 357 . 1 . 1 520 520 ILE HD11 H 1 0.77285 0.000 . 1 . . . . . 538 ILE MD . 51751 2 358 . 1 . 1 520 520 ILE HD12 H 1 0.77285 0.000 . 1 . . . . . 538 ILE MD . 51751 2 359 . 1 . 1 520 520 ILE HD13 H 1 0.77285 0.000 . 1 . . . . . 538 ILE MD . 51751 2 360 . 1 . 1 520 520 ILE CD1 C 13 12.26489 0.000 . 1 . . . . . 538 ILE CD1 . 51751 2 361 . 1 . 1 523 523 MET HE1 H 1 2.2256 0.000 . 1 . . . . . 541 MET ME . 51751 2 362 . 1 . 1 523 523 MET HE2 H 1 2.2256 0.000 . 1 . . . . . 541 MET ME . 51751 2 363 . 1 . 1 523 523 MET HE3 H 1 2.2256 0.000 . 1 . . . . . 541 MET ME . 51751 2 364 . 1 . 1 523 523 MET CE C 13 19.63394 0.000 . 1 . . . . . 541 MET CE . 51751 2 365 . 1 . 1 524 524 VAL HG21 H 1 1.16019 0.000 . 1 . . . . . 542 VAL MG2 . 51751 2 366 . 1 . 1 524 524 VAL HG22 H 1 1.16019 0.000 . 1 . . . . . 542 VAL MG2 . 51751 2 367 . 1 . 1 524 524 VAL HG23 H 1 1.16019 0.000 . 1 . . . . . 542 VAL MG2 . 51751 2 368 . 1 . 1 524 524 VAL CG2 C 13 24.04265 0.000 . 1 . . . . . 542 VAL CG2 . 51751 2 369 . 1 . 1 558 558 ILE HD11 H 1 0.79896 0.000 . 1 . . . . . 576 ILE MD . 51751 2 370 . 1 . 1 558 558 ILE HD12 H 1 0.79896 0.000 . 1 . . . . . 576 ILE MD . 51751 2 371 . 1 . 1 558 558 ILE HD13 H 1 0.79896 0.000 . 1 . . . . . 576 ILE MD . 51751 2 372 . 1 . 1 558 558 ILE CD1 C 13 14.64561 0.000 . 1 . . . . . 576 ILE CD1 . 51751 2 373 . 1 . 1 576 576 MET HE1 H 1 1.997 0.000 . 1 . . . . . 594 MET ME . 51751 2 374 . 1 . 1 576 576 MET HE2 H 1 1.997 0.000 . 1 . . . . . 594 MET ME . 51751 2 375 . 1 . 1 576 576 MET HE3 H 1 1.997 0.000 . 1 . . . . . 594 MET ME . 51751 2 376 . 1 . 1 576 576 MET CE C 13 17.596 0.000 . 1 . . . . . 594 MET CE . 51751 2 377 . 1 . 1 580 580 VAL HG21 H 1 1.06346 0.000 . 1 . . . . . 598 VAL MG2 . 51751 2 378 . 1 . 1 580 580 VAL HG22 H 1 1.06346 0.000 . 1 . . . . . 598 VAL MG2 . 51751 2 379 . 1 . 1 580 580 VAL HG23 H 1 1.06346 0.000 . 1 . . . . . 598 VAL MG2 . 51751 2 380 . 1 . 1 580 580 VAL CG2 C 13 24.53716 0.000 . 1 . . . . . 598 VAL CG2 . 51751 2 381 . 1 . 1 584 584 ILE HD11 H 1 0.90015 0.000 . 1 . . . . . 602 ILE MD . 51751 2 382 . 1 . 1 584 584 ILE HD12 H 1 0.90015 0.000 . 1 . . . . . 602 ILE MD . 51751 2 383 . 1 . 1 584 584 ILE HD13 H 1 0.90015 0.000 . 1 . . . . . 602 ILE MD . 51751 2 384 . 1 . 1 584 584 ILE CD1 C 13 12.9781 0.000 . 1 . . . . . 602 ILE CD1 . 51751 2 385 . 1 . 1 609 609 VAL HG21 H 1 1.14558 0.000 . 1 . . . . . 627 VAL MG2 . 51751 2 386 . 1 . 1 609 609 VAL HG22 H 1 1.14558 0.000 . 1 . . . . . 627 VAL MG2 . 51751 2 387 . 1 . 1 609 609 VAL HG23 H 1 1.14558 0.000 . 1 . . . . . 627 VAL MG2 . 51751 2 388 . 1 . 1 609 609 VAL CG2 C 13 21.13875 0.000 . 1 . . . . . 627 VAL CG2 . 51751 2 389 . 1 . 1 612 612 ILE HD11 H 1 0.97327 0.000 . 1 . . . . . 630 ILE MD . 51751 2 390 . 1 . 1 612 612 ILE HD12 H 1 0.97327 0.000 . 1 . . . . . 630 ILE MD . 51751 2 391 . 1 . 1 612 612 ILE HD13 H 1 0.97327 0.000 . 1 . . . . . 630 ILE MD . 51751 2 392 . 1 . 1 612 612 ILE CD1 C 13 13.52497 0.000 . 1 . . . . . 630 ILE CD1 . 51751 2 393 . 1 . 1 613 613 ILE HD11 H 1 0.85825 0.000 . 1 . . . . . 631 ILE MD . 51751 2 394 . 1 . 1 613 613 ILE HD12 H 1 0.85825 0.000 . 1 . . . . . 631 ILE MD . 51751 2 395 . 1 . 1 613 613 ILE HD13 H 1 0.85825 0.000 . 1 . . . . . 631 ILE MD . 51751 2 396 . 1 . 1 613 613 ILE CD1 C 13 12.32943 0.000 . 1 . . . . . 631 ILE CD1 . 51751 2 stop_ save_ save_assigned_chemical_shifts_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3 _Assigned_chem_shift_list.Entry_ID 51751 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Name 'BiP methyl assignment' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HMQC' . . . 51751 3 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51751 3 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 245 245 MET HE1 H 1 2.18797 0.000 . 1 . . . . . 263 MET ME . 51751 3 2 . 1 . 1 245 245 MET HE2 H 1 2.18797 0.000 . 1 . . . . . 263 MET ME . 51751 3 3 . 1 . 1 245 245 MET HE3 H 1 2.18797 0.000 . 1 . . . . . 263 MET ME . 51751 3 4 . 1 . 1 245 245 MET CE C 13 17.32855 0.000 . 1 . . . . . 263 MET CE . 51751 3 5 . 1 . 1 260 260 VAL HG11 H 1 0.26817 0.000 . 1 . . . . . 278 VAL MG1 . 51751 3 6 . 1 . 1 260 260 VAL HG12 H 1 0.26817 0.000 . 1 . . . . . 278 VAL MG1 . 51751 3 7 . 1 . 1 260 260 VAL HG13 H 1 0.26817 0.000 . 1 . . . . . 278 VAL MG1 . 51751 3 8 . 1 . 1 260 260 VAL HG21 H 1 0.71307 0.000 . 1 . . . . . 278 VAL MG2 . 51751 3 9 . 1 . 1 260 260 VAL HG22 H 1 0.71307 0.000 . 1 . . . . . 278 VAL MG2 . 51751 3 10 . 1 . 1 260 260 VAL HG23 H 1 0.71307 0.000 . 1 . . . . . 278 VAL MG2 . 51751 3 11 . 1 . 1 260 260 VAL CG1 C 13 20.58488 0.000 . 1 . . . . . 278 VAL CG1 . 51751 3 12 . 1 . 1 260 260 VAL CG2 C 13 19.32084 0.000 . 1 . . . . . 278 VAL CG2 . 51751 3 13 . 1 . 1 267 267 VAL HG21 H 1 1.04678 0.000 . 1 . . . . . 285 VAL MG2 . 51751 3 14 . 1 . 1 267 267 VAL HG22 H 1 1.04678 0.000 . 1 . . . . . 285 VAL MG2 . 51751 3 15 . 1 . 1 267 267 VAL HG23 H 1 1.04678 0.000 . 1 . . . . . 285 VAL MG2 . 51751 3 16 . 1 . 1 267 267 VAL CG2 C 13 23.53095 0.000 . 1 . . . . . 285 VAL CG2 . 51751 3 17 . 1 . 1 289 289 ILE HD11 H 1 0.61399 0.000 . 1 . . . . . 307 ILE MD . 51751 3 18 . 1 . 1 289 289 ILE HD12 H 1 0.61399 0.000 . 1 . . . . . 307 ILE MD . 51751 3 19 . 1 . 1 289 289 ILE HD13 H 1 0.61399 0.000 . 1 . . . . . 307 ILE MD . 51751 3 20 . 1 . 1 289 289 ILE CD1 C 13 14.99825 0.000 . 1 . . . . . 307 ILE CD1 . 51751 3 21 . 1 . 1 291 291 ILE HD11 H 1 0.15224 0.000 . 1 . . . . . 309 ILE MD . 51751 3 22 . 1 . 1 291 291 ILE HD12 H 1 0.15224 0.000 . 1 . . . . . 309 ILE MD . 51751 3 23 . 1 . 1 291 291 ILE HD13 H 1 0.15224 0.000 . 1 . . . . . 309 ILE MD . 51751 3 24 . 1 . 1 291 291 ILE CD1 C 13 14.03728 0.000 . 1 . . . . . 309 ILE CD1 . 51751 3 25 . 1 . 1 314 314 MET HE1 H 1 2.13156 0.000 . 1 . . . . . 332 MET ME . 51751 3 26 . 1 . 1 314 314 MET HE2 H 1 2.13156 0.000 . 1 . . . . . 332 MET ME . 51751 3 27 . 1 . 1 314 314 MET HE3 H 1 2.13156 0.000 . 1 . . . . . 332 MET ME . 51751 3 28 . 1 . 1 314 314 MET CE C 13 16.51289 0.000 . 1 . . . . . 332 MET CE . 51751 3 stop_ save_