data_50768 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50768 _Entry.Title ; 1H and 13C chemical-shift assignments of the isoleucine, leucine and valine methyl groups of Bombyx Mori Vasa ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-02-17 _Entry.Accession_date 2021-02-17 _Entry.Last_release_date 2021-02-17 _Entry.Original_release_date 2021-02-17 _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 . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Luca Codutti . . . 0000-0003-0270-5541 50768 2 Leo Nesme . . . . 50768 3 John Kirkpatrick . P. . 0000-0002-9761-3377 50768 4 Teresa Carlomagno . . . 0000-0002-2437-2760 50768 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Carlomagno Group, Biomolekulares Wirkstoffzentrum' . 50768 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50768 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 150 50768 '1H chemical shifts' 450 50768 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 . . 2024-10-15 . original BMRB . 50768 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50769 'assignments of the backbone amide groups of the RecA_N domain of Bombyx Mori Vasa' 50768 BMRB 50770 'assignments of backbone amide groups of the RecA_C domain of Bombyx Mori Vasa' 50768 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50768 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI 10.1016/j.bpj.2024.10.001 _Citation.Full_citation . _Citation.Title ; Long-range conformational changes in the nucleotide-bound states of the DEAD-box helicase Vasa ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full 'Biophysical Journal' _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 Luca Codutti . . . . 50768 1 2 John Kirkpatrick . P. . . 50768 1 3 Suzanne 'zur Lage' . . . . 50768 1 4 Teresa Carlomagno . . . . 50768 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DEAD-box helicase' 50768 1 Vasa 50768 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50768 _Assembly.ID 1 _Assembly.Name flVasa _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 flVasa 1 $entity_1 . . yes native yes no . . . 50768 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 4d25 . . X-ray 1.9 . . 50768 1 yes PDB 4d26 . . X-ray 2.1 . . 50768 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID Helicase 50768 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50768 _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 ; GAMDPAEFVTYVPPEPTNDE TEIFSSTISSGINFDKFDHI AVKVSGENPPRPIESFETAN LRKYVLDNVLKAGYRKPTPI QKNAIPIIMSGRDLMGCAQT GSGKTAAFLVPIINMLLQDP KDLISENGCAQPQVIIVSPT RELTLQIFNEARKFSYGSVL KVAVAYGGTAVRHQGDNIAR GCHILVATPGRLHDFVERNR VSFGSVRFVVLDEADRMLDM GFMPSIEKMMLHPTMVETTK RQTLMFSATFPEDIQHLAGR FLNNYLFVAVGIVGGASTDV EQIFIEVTKYEKRNSLKQLI EENDGKRILVFVETKRNADF IAAMLSEQQLLTSSIHGDRM QREREEALQNFKSGKHCILV ATAVAARGLDIKNVDIVVNY DLPKSIDEYVHRIGRTGRVG NRGKAVSFYDSDQDLALVAD LSKILRQADQSVPDFLKG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '127, G' _Entity.Polymer_author_seq_details ; The first residue of the native Vasa sequence is residue 9 in the sequence above, which corresponds to residue 135 in the native Vasa sequence; hence residue 1 of the sequence above should be numbered as residue 127 (i.e. the first 8 residues are cloning artifacts). ; _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 438 _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_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes NCBI NP_001037347.1 . 'vasa-like [Bombyx mori]' . . . . . . . . . . . . . . 50768 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID Helicase 50768 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 1 127 GLY . 50768 1 2 128 ALA . 50768 1 3 129 MET . 50768 1 4 130 ASP . 50768 1 5 131 PRO . 50768 1 6 132 ALA . 50768 1 7 133 GLU . 50768 1 8 134 PHE . 50768 1 9 135 VAL . 50768 1 10 136 THR . 50768 1 11 137 TYR . 50768 1 12 138 VAL . 50768 1 13 139 PRO . 50768 1 14 140 PRO . 50768 1 15 141 GLU . 50768 1 16 142 PRO . 50768 1 17 143 THR . 50768 1 18 144 ASN . 50768 1 19 145 ASP . 50768 1 20 146 GLU . 50768 1 21 147 THR . 50768 1 22 148 GLU . 50768 1 23 149 ILE . 50768 1 24 150 PHE . 50768 1 25 151 SER . 50768 1 26 152 SER . 50768 1 27 153 THR . 50768 1 28 154 ILE . 50768 1 29 155 SER . 50768 1 30 156 SER . 50768 1 31 157 GLY . 50768 1 32 158 ILE . 50768 1 33 159 ASN . 50768 1 34 160 PHE . 50768 1 35 161 ASP . 50768 1 36 162 LYS . 50768 1 37 163 PHE . 50768 1 38 164 ASP . 50768 1 39 165 HIS . 50768 1 40 166 ILE . 50768 1 41 167 ALA . 50768 1 42 168 VAL . 50768 1 43 169 LYS . 50768 1 44 170 VAL . 50768 1 45 171 SER . 50768 1 46 172 GLY . 50768 1 47 173 GLU . 50768 1 48 174 ASN . 50768 1 49 175 PRO . 50768 1 50 176 PRO . 50768 1 51 177 ARG . 50768 1 52 178 PRO . 50768 1 53 179 ILE . 50768 1 54 180 GLU . 50768 1 55 181 SER . 50768 1 56 182 PHE . 50768 1 57 183 GLU . 50768 1 58 184 THR . 50768 1 59 185 ALA . 50768 1 60 186 ASN . 50768 1 61 187 LEU . 50768 1 62 188 ARG . 50768 1 63 189 LYS . 50768 1 64 190 TYR . 50768 1 65 191 VAL . 50768 1 66 192 LEU . 50768 1 67 193 ASP . 50768 1 68 194 ASN . 50768 1 69 195 VAL . 50768 1 70 196 LEU . 50768 1 71 197 LYS . 50768 1 72 198 ALA . 50768 1 73 199 GLY . 50768 1 74 200 TYR . 50768 1 75 201 ARG . 50768 1 76 202 LYS . 50768 1 77 203 PRO . 50768 1 78 204 THR . 50768 1 79 205 PRO . 50768 1 80 206 ILE . 50768 1 81 207 GLN . 50768 1 82 208 LYS . 50768 1 83 209 ASN . 50768 1 84 210 ALA . 50768 1 85 211 ILE . 50768 1 86 212 PRO . 50768 1 87 213 ILE . 50768 1 88 214 ILE . 50768 1 89 215 MET . 50768 1 90 216 SER . 50768 1 91 217 GLY . 50768 1 92 218 ARG . 50768 1 93 219 ASP . 50768 1 94 220 LEU . 50768 1 95 221 MET . 50768 1 96 222 GLY . 50768 1 97 223 CYS . 50768 1 98 224 ALA . 50768 1 99 225 GLN . 50768 1 100 226 THR . 50768 1 101 227 GLY . 50768 1 102 228 SER . 50768 1 103 229 GLY . 50768 1 104 230 LYS . 50768 1 105 231 THR . 50768 1 106 232 ALA . 50768 1 107 233 ALA . 50768 1 108 234 PHE . 50768 1 109 235 LEU . 50768 1 110 236 VAL . 50768 1 111 237 PRO . 50768 1 112 238 ILE . 50768 1 113 239 ILE . 50768 1 114 240 ASN . 50768 1 115 241 MET . 50768 1 116 242 LEU . 50768 1 117 243 LEU . 50768 1 118 244 GLN . 50768 1 119 245 ASP . 50768 1 120 246 PRO . 50768 1 121 247 LYS . 50768 1 122 248 ASP . 50768 1 123 249 LEU . 50768 1 124 250 ILE . 50768 1 125 251 SER . 50768 1 126 252 GLU . 50768 1 127 253 ASN . 50768 1 128 254 GLY . 50768 1 129 255 CYS . 50768 1 130 256 ALA . 50768 1 131 257 GLN . 50768 1 132 258 PRO . 50768 1 133 259 GLN . 50768 1 134 260 VAL . 50768 1 135 261 ILE . 50768 1 136 262 ILE . 50768 1 137 263 VAL . 50768 1 138 264 SER . 50768 1 139 265 PRO . 50768 1 140 266 THR . 50768 1 141 267 ARG . 50768 1 142 268 GLU . 50768 1 143 269 LEU . 50768 1 144 270 THR . 50768 1 145 271 LEU . 50768 1 146 272 GLN . 50768 1 147 273 ILE . 50768 1 148 274 PHE . 50768 1 149 275 ASN . 50768 1 150 276 GLU . 50768 1 151 277 ALA . 50768 1 152 278 ARG . 50768 1 153 279 LYS . 50768 1 154 280 PHE . 50768 1 155 281 SER . 50768 1 156 282 TYR . 50768 1 157 283 GLY . 50768 1 158 284 SER . 50768 1 159 285 VAL . 50768 1 160 286 LEU . 50768 1 161 287 LYS . 50768 1 162 288 VAL . 50768 1 163 289 ALA . 50768 1 164 290 VAL . 50768 1 165 291 ALA . 50768 1 166 292 TYR . 50768 1 167 293 GLY . 50768 1 168 294 GLY . 50768 1 169 295 THR . 50768 1 170 296 ALA . 50768 1 171 297 VAL . 50768 1 172 298 ARG . 50768 1 173 299 HIS . 50768 1 174 300 GLN . 50768 1 175 301 GLY . 50768 1 176 302 ASP . 50768 1 177 303 ASN . 50768 1 178 304 ILE . 50768 1 179 305 ALA . 50768 1 180 306 ARG . 50768 1 181 307 GLY . 50768 1 182 308 CYS . 50768 1 183 309 HIS . 50768 1 184 310 ILE . 50768 1 185 311 LEU . 50768 1 186 312 VAL . 50768 1 187 313 ALA . 50768 1 188 314 THR . 50768 1 189 315 PRO . 50768 1 190 316 GLY . 50768 1 191 317 ARG . 50768 1 192 318 LEU . 50768 1 193 319 HIS . 50768 1 194 320 ASP . 50768 1 195 321 PHE . 50768 1 196 322 VAL . 50768 1 197 323 GLU . 50768 1 198 324 ARG . 50768 1 199 325 ASN . 50768 1 200 326 ARG . 50768 1 201 327 VAL . 50768 1 202 328 SER . 50768 1 203 329 PHE . 50768 1 204 330 GLY . 50768 1 205 331 SER . 50768 1 206 332 VAL . 50768 1 207 333 ARG . 50768 1 208 334 PHE . 50768 1 209 335 VAL . 50768 1 210 336 VAL . 50768 1 211 337 LEU . 50768 1 212 338 ASP . 50768 1 213 339 GLU . 50768 1 214 340 ALA . 50768 1 215 341 ASP . 50768 1 216 342 ARG . 50768 1 217 343 MET . 50768 1 218 344 LEU . 50768 1 219 345 ASP . 50768 1 220 346 MET . 50768 1 221 347 GLY . 50768 1 222 348 PHE . 50768 1 223 349 MET . 50768 1 224 350 PRO . 50768 1 225 351 SER . 50768 1 226 352 ILE . 50768 1 227 353 GLU . 50768 1 228 354 LYS . 50768 1 229 355 MET . 50768 1 230 356 MET . 50768 1 231 357 LEU . 50768 1 232 358 HIS . 50768 1 233 359 PRO . 50768 1 234 360 THR . 50768 1 235 361 MET . 50768 1 236 362 VAL . 50768 1 237 363 GLU . 50768 1 238 364 THR . 50768 1 239 365 THR . 50768 1 240 366 LYS . 50768 1 241 367 ARG . 50768 1 242 368 GLN . 50768 1 243 369 THR . 50768 1 244 370 LEU . 50768 1 245 371 MET . 50768 1 246 372 PHE . 50768 1 247 373 SER . 50768 1 248 374 ALA . 50768 1 249 375 THR . 50768 1 250 376 PHE . 50768 1 251 377 PRO . 50768 1 252 378 GLU . 50768 1 253 379 ASP . 50768 1 254 380 ILE . 50768 1 255 381 GLN . 50768 1 256 382 HIS . 50768 1 257 383 LEU . 50768 1 258 384 ALA . 50768 1 259 385 GLY . 50768 1 260 386 ARG . 50768 1 261 387 PHE . 50768 1 262 388 LEU . 50768 1 263 389 ASN . 50768 1 264 390 ASN . 50768 1 265 391 TYR . 50768 1 266 392 LEU . 50768 1 267 393 PHE . 50768 1 268 394 VAL . 50768 1 269 395 ALA . 50768 1 270 396 VAL . 50768 1 271 397 GLY . 50768 1 272 398 ILE . 50768 1 273 399 VAL . 50768 1 274 400 GLY . 50768 1 275 401 GLY . 50768 1 276 402 ALA . 50768 1 277 403 SER . 50768 1 278 404 THR . 50768 1 279 405 ASP . 50768 1 280 406 VAL . 50768 1 281 407 GLU . 50768 1 282 408 GLN . 50768 1 283 409 ILE . 50768 1 284 410 PHE . 50768 1 285 411 ILE . 50768 1 286 412 GLU . 50768 1 287 413 VAL . 50768 1 288 414 THR . 50768 1 289 415 LYS . 50768 1 290 416 TYR . 50768 1 291 417 GLU . 50768 1 292 418 LYS . 50768 1 293 419 ARG . 50768 1 294 420 ASN . 50768 1 295 421 SER . 50768 1 296 422 LEU . 50768 1 297 423 LYS . 50768 1 298 424 GLN . 50768 1 299 425 LEU . 50768 1 300 426 ILE . 50768 1 301 427 GLU . 50768 1 302 428 GLU . 50768 1 303 429 ASN . 50768 1 304 430 ASP . 50768 1 305 431 GLY . 50768 1 306 432 LYS . 50768 1 307 433 ARG . 50768 1 308 434 ILE . 50768 1 309 435 LEU . 50768 1 310 436 VAL . 50768 1 311 437 PHE . 50768 1 312 438 VAL . 50768 1 313 439 GLU . 50768 1 314 440 THR . 50768 1 315 441 LYS . 50768 1 316 442 ARG . 50768 1 317 443 ASN . 50768 1 318 444 ALA . 50768 1 319 445 ASP . 50768 1 320 446 PHE . 50768 1 321 447 ILE . 50768 1 322 448 ALA . 50768 1 323 449 ALA . 50768 1 324 450 MET . 50768 1 325 451 LEU . 50768 1 326 452 SER . 50768 1 327 453 GLU . 50768 1 328 454 GLN . 50768 1 329 455 GLN . 50768 1 330 456 LEU . 50768 1 331 457 LEU . 50768 1 332 458 THR . 50768 1 333 459 SER . 50768 1 334 460 SER . 50768 1 335 461 ILE . 50768 1 336 462 HIS . 50768 1 337 463 GLY . 50768 1 338 464 ASP . 50768 1 339 465 ARG . 50768 1 340 466 MET . 50768 1 341 467 GLN . 50768 1 342 468 ARG . 50768 1 343 469 GLU . 50768 1 344 470 ARG . 50768 1 345 471 GLU . 50768 1 346 472 GLU . 50768 1 347 473 ALA . 50768 1 348 474 LEU . 50768 1 349 475 GLN . 50768 1 350 476 ASN . 50768 1 351 477 PHE . 50768 1 352 478 LYS . 50768 1 353 479 SER . 50768 1 354 480 GLY . 50768 1 355 481 LYS . 50768 1 356 482 HIS . 50768 1 357 483 CYS . 50768 1 358 484 ILE . 50768 1 359 485 LEU . 50768 1 360 486 VAL . 50768 1 361 487 ALA . 50768 1 362 488 THR . 50768 1 363 489 ALA . 50768 1 364 490 VAL . 50768 1 365 491 ALA . 50768 1 366 492 ALA . 50768 1 367 493 ARG . 50768 1 368 494 GLY . 50768 1 369 495 LEU . 50768 1 370 496 ASP . 50768 1 371 497 ILE . 50768 1 372 498 LYS . 50768 1 373 499 ASN . 50768 1 374 500 VAL . 50768 1 375 501 ASP . 50768 1 376 502 ILE . 50768 1 377 503 VAL . 50768 1 378 504 VAL . 50768 1 379 505 ASN . 50768 1 380 506 TYR . 50768 1 381 507 ASP . 50768 1 382 508 LEU . 50768 1 383 509 PRO . 50768 1 384 510 LYS . 50768 1 385 511 SER . 50768 1 386 512 ILE . 50768 1 387 513 ASP . 50768 1 388 514 GLU . 50768 1 389 515 TYR . 50768 1 390 516 VAL . 50768 1 391 517 HIS . 50768 1 392 518 ARG . 50768 1 393 519 ILE . 50768 1 394 520 GLY . 50768 1 395 521 ARG . 50768 1 396 522 THR . 50768 1 397 523 GLY . 50768 1 398 524 ARG . 50768 1 399 525 VAL . 50768 1 400 526 GLY . 50768 1 401 527 ASN . 50768 1 402 528 ARG . 50768 1 403 529 GLY . 50768 1 404 530 LYS . 50768 1 405 531 ALA . 50768 1 406 532 VAL . 50768 1 407 533 SER . 50768 1 408 534 PHE . 50768 1 409 535 TYR . 50768 1 410 536 ASP . 50768 1 411 537 SER . 50768 1 412 538 ASP . 50768 1 413 539 GLN . 50768 1 414 540 ASP . 50768 1 415 541 LEU . 50768 1 416 542 ALA . 50768 1 417 543 LEU . 50768 1 418 544 VAL . 50768 1 419 545 ALA . 50768 1 420 546 ASP . 50768 1 421 547 LEU . 50768 1 422 548 SER . 50768 1 423 549 LYS . 50768 1 424 550 ILE . 50768 1 425 551 LEU . 50768 1 426 552 ARG . 50768 1 427 553 GLN . 50768 1 428 554 ALA . 50768 1 429 555 ASP . 50768 1 430 556 GLN . 50768 1 431 557 SER . 50768 1 432 558 VAL . 50768 1 433 559 PRO . 50768 1 434 560 ASP . 50768 1 435 561 PHE . 50768 1 436 562 LEU . 50768 1 437 563 LYS . 50768 1 438 564 GLY . 50768 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 . GLY 1 1 50768 1 . ALA 2 2 50768 1 . MET 3 3 50768 1 . ASP 4 4 50768 1 . PRO 5 5 50768 1 . ALA 6 6 50768 1 . GLU 7 7 50768 1 . PHE 8 8 50768 1 . VAL 9 9 50768 1 . THR 10 10 50768 1 . TYR 11 11 50768 1 . VAL 12 12 50768 1 . PRO 13 13 50768 1 . PRO 14 14 50768 1 . GLU 15 15 50768 1 . PRO 16 16 50768 1 . THR 17 17 50768 1 . ASN 18 18 50768 1 . ASP 19 19 50768 1 . GLU 20 20 50768 1 . THR 21 21 50768 1 . GLU 22 22 50768 1 . ILE 23 23 50768 1 . PHE 24 24 50768 1 . SER 25 25 50768 1 . SER 26 26 50768 1 . THR 27 27 50768 1 . ILE 28 28 50768 1 . SER 29 29 50768 1 . SER 30 30 50768 1 . GLY 31 31 50768 1 . ILE 32 32 50768 1 . ASN 33 33 50768 1 . PHE 34 34 50768 1 . ASP 35 35 50768 1 . LYS 36 36 50768 1 . PHE 37 37 50768 1 . ASP 38 38 50768 1 . HIS 39 39 50768 1 . ILE 40 40 50768 1 . ALA 41 41 50768 1 . VAL 42 42 50768 1 . LYS 43 43 50768 1 . VAL 44 44 50768 1 . SER 45 45 50768 1 . GLY 46 46 50768 1 . GLU 47 47 50768 1 . ASN 48 48 50768 1 . PRO 49 49 50768 1 . PRO 50 50 50768 1 . ARG 51 51 50768 1 . PRO 52 52 50768 1 . ILE 53 53 50768 1 . GLU 54 54 50768 1 . SER 55 55 50768 1 . PHE 56 56 50768 1 . GLU 57 57 50768 1 . THR 58 58 50768 1 . ALA 59 59 50768 1 . ASN 60 60 50768 1 . LEU 61 61 50768 1 . ARG 62 62 50768 1 . LYS 63 63 50768 1 . TYR 64 64 50768 1 . VAL 65 65 50768 1 . LEU 66 66 50768 1 . ASP 67 67 50768 1 . ASN 68 68 50768 1 . VAL 69 69 50768 1 . LEU 70 70 50768 1 . LYS 71 71 50768 1 . ALA 72 72 50768 1 . GLY 73 73 50768 1 . TYR 74 74 50768 1 . ARG 75 75 50768 1 . LYS 76 76 50768 1 . PRO 77 77 50768 1 . THR 78 78 50768 1 . PRO 79 79 50768 1 . ILE 80 80 50768 1 . GLN 81 81 50768 1 . LYS 82 82 50768 1 . ASN 83 83 50768 1 . ALA 84 84 50768 1 . ILE 85 85 50768 1 . PRO 86 86 50768 1 . ILE 87 87 50768 1 . ILE 88 88 50768 1 . MET 89 89 50768 1 . SER 90 90 50768 1 . GLY 91 91 50768 1 . ARG 92 92 50768 1 . ASP 93 93 50768 1 . LEU 94 94 50768 1 . MET 95 95 50768 1 . GLY 96 96 50768 1 . CYS 97 97 50768 1 . ALA 98 98 50768 1 . GLN 99 99 50768 1 . THR 100 100 50768 1 . GLY 101 101 50768 1 . SER 102 102 50768 1 . GLY 103 103 50768 1 . LYS 104 104 50768 1 . THR 105 105 50768 1 . ALA 106 106 50768 1 . ALA 107 107 50768 1 . PHE 108 108 50768 1 . LEU 109 109 50768 1 . VAL 110 110 50768 1 . PRO 111 111 50768 1 . ILE 112 112 50768 1 . ILE 113 113 50768 1 . ASN 114 114 50768 1 . MET 115 115 50768 1 . LEU 116 116 50768 1 . LEU 117 117 50768 1 . GLN 118 118 50768 1 . ASP 119 119 50768 1 . PRO 120 120 50768 1 . LYS 121 121 50768 1 . ASP 122 122 50768 1 . LEU 123 123 50768 1 . ILE 124 124 50768 1 . SER 125 125 50768 1 . GLU 126 126 50768 1 . ASN 127 127 50768 1 . GLY 128 128 50768 1 . CYS 129 129 50768 1 . ALA 130 130 50768 1 . GLN 131 131 50768 1 . PRO 132 132 50768 1 . GLN 133 133 50768 1 . VAL 134 134 50768 1 . ILE 135 135 50768 1 . ILE 136 136 50768 1 . VAL 137 137 50768 1 . SER 138 138 50768 1 . PRO 139 139 50768 1 . THR 140 140 50768 1 . ARG 141 141 50768 1 . GLU 142 142 50768 1 . LEU 143 143 50768 1 . THR 144 144 50768 1 . LEU 145 145 50768 1 . GLN 146 146 50768 1 . ILE 147 147 50768 1 . PHE 148 148 50768 1 . ASN 149 149 50768 1 . GLU 150 150 50768 1 . ALA 151 151 50768 1 . ARG 152 152 50768 1 . LYS 153 153 50768 1 . PHE 154 154 50768 1 . SER 155 155 50768 1 . TYR 156 156 50768 1 . GLY 157 157 50768 1 . SER 158 158 50768 1 . VAL 159 159 50768 1 . LEU 160 160 50768 1 . LYS 161 161 50768 1 . VAL 162 162 50768 1 . ALA 163 163 50768 1 . VAL 164 164 50768 1 . ALA 165 165 50768 1 . TYR 166 166 50768 1 . GLY 167 167 50768 1 . GLY 168 168 50768 1 . THR 169 169 50768 1 . ALA 170 170 50768 1 . VAL 171 171 50768 1 . ARG 172 172 50768 1 . HIS 173 173 50768 1 . GLN 174 174 50768 1 . GLY 175 175 50768 1 . ASP 176 176 50768 1 . ASN 177 177 50768 1 . ILE 178 178 50768 1 . ALA 179 179 50768 1 . ARG 180 180 50768 1 . GLY 181 181 50768 1 . CYS 182 182 50768 1 . HIS 183 183 50768 1 . ILE 184 184 50768 1 . LEU 185 185 50768 1 . VAL 186 186 50768 1 . ALA 187 187 50768 1 . THR 188 188 50768 1 . PRO 189 189 50768 1 . GLY 190 190 50768 1 . ARG 191 191 50768 1 . LEU 192 192 50768 1 . HIS 193 193 50768 1 . ASP 194 194 50768 1 . PHE 195 195 50768 1 . VAL 196 196 50768 1 . GLU 197 197 50768 1 . ARG 198 198 50768 1 . ASN 199 199 50768 1 . ARG 200 200 50768 1 . VAL 201 201 50768 1 . SER 202 202 50768 1 . PHE 203 203 50768 1 . GLY 204 204 50768 1 . SER 205 205 50768 1 . VAL 206 206 50768 1 . ARG 207 207 50768 1 . PHE 208 208 50768 1 . VAL 209 209 50768 1 . VAL 210 210 50768 1 . LEU 211 211 50768 1 . ASP 212 212 50768 1 . GLU 213 213 50768 1 . ALA 214 214 50768 1 . ASP 215 215 50768 1 . ARG 216 216 50768 1 . MET 217 217 50768 1 . LEU 218 218 50768 1 . ASP 219 219 50768 1 . MET 220 220 50768 1 . GLY 221 221 50768 1 . PHE 222 222 50768 1 . MET 223 223 50768 1 . PRO 224 224 50768 1 . SER 225 225 50768 1 . ILE 226 226 50768 1 . GLU 227 227 50768 1 . LYS 228 228 50768 1 . MET 229 229 50768 1 . MET 230 230 50768 1 . LEU 231 231 50768 1 . HIS 232 232 50768 1 . PRO 233 233 50768 1 . THR 234 234 50768 1 . MET 235 235 50768 1 . VAL 236 236 50768 1 . GLU 237 237 50768 1 . THR 238 238 50768 1 . THR 239 239 50768 1 . LYS 240 240 50768 1 . ARG 241 241 50768 1 . GLN 242 242 50768 1 . THR 243 243 50768 1 . LEU 244 244 50768 1 . MET 245 245 50768 1 . PHE 246 246 50768 1 . SER 247 247 50768 1 . ALA 248 248 50768 1 . THR 249 249 50768 1 . PHE 250 250 50768 1 . PRO 251 251 50768 1 . GLU 252 252 50768 1 . ASP 253 253 50768 1 . ILE 254 254 50768 1 . GLN 255 255 50768 1 . HIS 256 256 50768 1 . LEU 257 257 50768 1 . ALA 258 258 50768 1 . GLY 259 259 50768 1 . ARG 260 260 50768 1 . PHE 261 261 50768 1 . LEU 262 262 50768 1 . ASN 263 263 50768 1 . ASN 264 264 50768 1 . TYR 265 265 50768 1 . LEU 266 266 50768 1 . PHE 267 267 50768 1 . VAL 268 268 50768 1 . ALA 269 269 50768 1 . VAL 270 270 50768 1 . GLY 271 271 50768 1 . ILE 272 272 50768 1 . VAL 273 273 50768 1 . GLY 274 274 50768 1 . GLY 275 275 50768 1 . ALA 276 276 50768 1 . SER 277 277 50768 1 . THR 278 278 50768 1 . ASP 279 279 50768 1 . VAL 280 280 50768 1 . GLU 281 281 50768 1 . GLN 282 282 50768 1 . ILE 283 283 50768 1 . PHE 284 284 50768 1 . ILE 285 285 50768 1 . GLU 286 286 50768 1 . VAL 287 287 50768 1 . THR 288 288 50768 1 . LYS 289 289 50768 1 . TYR 290 290 50768 1 . GLU 291 291 50768 1 . LYS 292 292 50768 1 . ARG 293 293 50768 1 . ASN 294 294 50768 1 . SER 295 295 50768 1 . LEU 296 296 50768 1 . LYS 297 297 50768 1 . GLN 298 298 50768 1 . LEU 299 299 50768 1 . ILE 300 300 50768 1 . GLU 301 301 50768 1 . GLU 302 302 50768 1 . ASN 303 303 50768 1 . ASP 304 304 50768 1 . GLY 305 305 50768 1 . LYS 306 306 50768 1 . ARG 307 307 50768 1 . ILE 308 308 50768 1 . LEU 309 309 50768 1 . VAL 310 310 50768 1 . PHE 311 311 50768 1 . VAL 312 312 50768 1 . GLU 313 313 50768 1 . THR 314 314 50768 1 . LYS 315 315 50768 1 . ARG 316 316 50768 1 . ASN 317 317 50768 1 . ALA 318 318 50768 1 . ASP 319 319 50768 1 . PHE 320 320 50768 1 . ILE 321 321 50768 1 . ALA 322 322 50768 1 . ALA 323 323 50768 1 . MET 324 324 50768 1 . LEU 325 325 50768 1 . SER 326 326 50768 1 . GLU 327 327 50768 1 . GLN 328 328 50768 1 . GLN 329 329 50768 1 . LEU 330 330 50768 1 . LEU 331 331 50768 1 . THR 332 332 50768 1 . SER 333 333 50768 1 . SER 334 334 50768 1 . ILE 335 335 50768 1 . HIS 336 336 50768 1 . GLY 337 337 50768 1 . ASP 338 338 50768 1 . ARG 339 339 50768 1 . MET 340 340 50768 1 . GLN 341 341 50768 1 . ARG 342 342 50768 1 . GLU 343 343 50768 1 . ARG 344 344 50768 1 . GLU 345 345 50768 1 . GLU 346 346 50768 1 . ALA 347 347 50768 1 . LEU 348 348 50768 1 . GLN 349 349 50768 1 . ASN 350 350 50768 1 . PHE 351 351 50768 1 . LYS 352 352 50768 1 . SER 353 353 50768 1 . GLY 354 354 50768 1 . LYS 355 355 50768 1 . HIS 356 356 50768 1 . CYS 357 357 50768 1 . ILE 358 358 50768 1 . LEU 359 359 50768 1 . VAL 360 360 50768 1 . ALA 361 361 50768 1 . THR 362 362 50768 1 . ALA 363 363 50768 1 . VAL 364 364 50768 1 . ALA 365 365 50768 1 . ALA 366 366 50768 1 . ARG 367 367 50768 1 . GLY 368 368 50768 1 . LEU 369 369 50768 1 . ASP 370 370 50768 1 . ILE 371 371 50768 1 . LYS 372 372 50768 1 . ASN 373 373 50768 1 . VAL 374 374 50768 1 . ASP 375 375 50768 1 . ILE 376 376 50768 1 . VAL 377 377 50768 1 . VAL 378 378 50768 1 . ASN 379 379 50768 1 . TYR 380 380 50768 1 . ASP 381 381 50768 1 . LEU 382 382 50768 1 . PRO 383 383 50768 1 . LYS 384 384 50768 1 . SER 385 385 50768 1 . ILE 386 386 50768 1 . ASP 387 387 50768 1 . GLU 388 388 50768 1 . TYR 389 389 50768 1 . VAL 390 390 50768 1 . HIS 391 391 50768 1 . ARG 392 392 50768 1 . ILE 393 393 50768 1 . GLY 394 394 50768 1 . ARG 395 395 50768 1 . THR 396 396 50768 1 . GLY 397 397 50768 1 . ARG 398 398 50768 1 . VAL 399 399 50768 1 . GLY 400 400 50768 1 . ASN 401 401 50768 1 . ARG 402 402 50768 1 . GLY 403 403 50768 1 . LYS 404 404 50768 1 . ALA 405 405 50768 1 . VAL 406 406 50768 1 . SER 407 407 50768 1 . PHE 408 408 50768 1 . TYR 409 409 50768 1 . ASP 410 410 50768 1 . SER 411 411 50768 1 . ASP 412 412 50768 1 . GLN 413 413 50768 1 . ASP 414 414 50768 1 . LEU 415 415 50768 1 . ALA 416 416 50768 1 . LEU 417 417 50768 1 . VAL 418 418 50768 1 . ALA 419 419 50768 1 . ASP 420 420 50768 1 . LEU 421 421 50768 1 . SER 422 422 50768 1 . LYS 423 423 50768 1 . ILE 424 424 50768 1 . LEU 425 425 50768 1 . ARG 426 426 50768 1 . GLN 427 427 50768 1 . ALA 428 428 50768 1 . ASP 429 429 50768 1 . GLN 430 430 50768 1 . SER 431 431 50768 1 . VAL 432 432 50768 1 . PRO 433 433 50768 1 . ASP 434 434 50768 1 . PHE 435 435 50768 1 . LEU 436 436 50768 1 . LYS 437 437 50768 1 . GLY 438 438 50768 1 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 50768 _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 . 7091 organism . 'Bombyx mori' 'domestic silkworm' . . Eukaryota Metazoa Bombyx mori . . . . . . . . . . . BmVLG . 50768 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 50768 _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 BL21 RIL . plasmid . . pETM11 . . . 50768 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50768 _Sample.ID 1 _Sample.Name 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% 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 flVasa '[U-13C; U-15N; U-2H; 99% 1HD-Ile,Leu; 99% 1HG-Val]' . . 1 $entity_1 . . 0.5 . . mM 0.1 . . . 50768 1 2 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 50768 1 3 'sodium chloride' 'natural abundance' . . . . . . 350 . . mM . . . . 50768 1 4 arginine 'natural abundance' . . . . . . 100 . . mM . . . . 50768 1 5 'glutamic acid' 'natural abundance' . . . . . . 100 . . mM . . . . 50768 1 6 'magnesium chloride' 'natural abundance' . . . . . . 1 . . mM . . . . 50768 1 7 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 50768 1 8 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 50768 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 50768 _Sample_condition_list.ID 1 _Sample_condition_list.Name 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 8.0 0.1 pH 50768 1 temperature 293 0.2 K 50768 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50768 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50768 1 processing . 50768 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50768 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 10.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50768 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50768 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50768 3 'peak picking' . 50768 3 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 50768 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 850 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 50768 _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 . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50768 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 50768 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 1 _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 water protons . . . . ppm 4.821 internal indirect 0.25144953 . . . . . 50768 1 H 1 water protons . . . . ppm 4.821 internal direct 1 . . . . . 50768 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 50768 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 1 _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' . . . 50768 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 . . 50768 1 2 $software_2 . . 50768 1 3 $software_3 . . 50768 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 23 23 ILE HD11 H 1 0.789 0.000 . 1 . . . . . 149 ILE HD11 . 50768 1 2 . 1 . 1 23 23 ILE HD12 H 1 0.789 0.000 . 1 . . . . . 149 ILE HD12 . 50768 1 3 . 1 . 1 23 23 ILE HD13 H 1 0.789 0.000 . 1 . . . . . 149 ILE HD13 . 50768 1 4 . 1 . 1 23 23 ILE CD1 C 13 12.650 0.000 . 1 . . . . . 149 ILE CD1 . 50768 1 5 . 1 . 1 28 28 ILE HD11 H 1 0.822 0.000 . 1 . . . . . 154 ILE HD11 . 50768 1 6 . 1 . 1 28 28 ILE HD12 H 1 0.822 0.000 . 1 . . . . . 154 ILE HD12 . 50768 1 7 . 1 . 1 28 28 ILE HD13 H 1 0.822 0.000 . 1 . . . . . 154 ILE HD13 . 50768 1 8 . 1 . 1 28 28 ILE CD1 C 13 12.708 0.000 . 1 . . . . . 154 ILE CD1 . 50768 1 9 . 1 . 1 32 32 ILE HD11 H 1 0.736 0.000 . 1 . . . . . 158 ILE HD11 . 50768 1 10 . 1 . 1 32 32 ILE HD12 H 1 0.736 0.000 . 1 . . . . . 158 ILE HD12 . 50768 1 11 . 1 . 1 32 32 ILE HD13 H 1 0.736 0.000 . 1 . . . . . 158 ILE HD13 . 50768 1 12 . 1 . 1 32 32 ILE CD1 C 13 12.544 0.000 . 1 . . . . . 158 ILE CD1 . 50768 1 13 . 1 . 1 42 42 VAL HG11 H 1 0.892 0.000 . 1 . . . . . 168 VAL HG11 . 50768 1 14 . 1 . 1 42 42 VAL HG12 H 1 0.892 0.000 . 1 . . . . . 168 VAL HG12 . 50768 1 15 . 1 . 1 42 42 VAL HG13 H 1 0.892 0.000 . 1 . . . . . 168 VAL HG13 . 50768 1 16 . 1 . 1 42 42 VAL CG1 C 13 20.830 0.000 . 1 . . . . . 168 VAL CG1 . 50768 1 17 . 1 . 1 44 44 VAL HG11 H 1 0.853 0.000 . 2 . . . . . 170 VAL HG11 . 50768 1 18 . 1 . 1 44 44 VAL HG12 H 1 0.853 0.000 . 2 . . . . . 170 VAL HG12 . 50768 1 19 . 1 . 1 44 44 VAL HG13 H 1 0.853 0.000 . 2 . . . . . 170 VAL HG13 . 50768 1 20 . 1 . 1 44 44 VAL HG21 H 1 0.850 0.000 . 2 . . . . . 170 VAL HG21 . 50768 1 21 . 1 . 1 44 44 VAL HG22 H 1 0.850 0.000 . 2 . . . . . 170 VAL HG22 . 50768 1 22 . 1 . 1 44 44 VAL HG23 H 1 0.850 0.000 . 2 . . . . . 170 VAL HG23 . 50768 1 23 . 1 . 1 44 44 VAL CG1 C 13 21.144 0.000 . 2 . . . . . 170 VAL CG1 . 50768 1 24 . 1 . 1 44 44 VAL CG2 C 13 20.506 0.000 . 2 . . . . . 170 VAL CG2 . 50768 1 25 . 1 . 1 53 53 ILE HD11 H 1 0.459 0.000 . 1 . . . . . 179 ILE HD11 . 50768 1 26 . 1 . 1 53 53 ILE HD12 H 1 0.459 0.000 . 1 . . . . . 179 ILE HD12 . 50768 1 27 . 1 . 1 53 53 ILE HD13 H 1 0.459 0.000 . 1 . . . . . 179 ILE HD13 . 50768 1 28 . 1 . 1 53 53 ILE CD1 C 13 13.880 0.000 . 1 . . . . . 179 ILE CD1 . 50768 1 29 . 1 . 1 61 61 LEU HD11 H 1 0.641 0.000 . 2 . . . . . 187 LEU HD11 . 50768 1 30 . 1 . 1 61 61 LEU HD12 H 1 0.641 0.000 . 2 . . . . . 187 LEU HD12 . 50768 1 31 . 1 . 1 61 61 LEU HD13 H 1 0.641 0.000 . 2 . . . . . 187 LEU HD13 . 50768 1 32 . 1 . 1 61 61 LEU HD21 H 1 0.486 0.000 . 2 . . . . . 187 LEU HD21 . 50768 1 33 . 1 . 1 61 61 LEU HD22 H 1 0.486 0.000 . 2 . . . . . 187 LEU HD22 . 50768 1 34 . 1 . 1 61 61 LEU HD23 H 1 0.486 0.000 . 2 . . . . . 187 LEU HD23 . 50768 1 35 . 1 . 1 61 61 LEU CD1 C 13 24.966 0.000 . 2 . . . . . 187 LEU CD1 . 50768 1 36 . 1 . 1 61 61 LEU CD2 C 13 21.747 0.000 . 2 . . . . . 187 LEU CD2 . 50768 1 37 . 1 . 1 65 65 VAL HG11 H 1 0.772 0.000 . 2 . . . . . 191 VAL HG11 . 50768 1 38 . 1 . 1 65 65 VAL HG12 H 1 0.772 0.000 . 2 . . . . . 191 VAL HG12 . 50768 1 39 . 1 . 1 65 65 VAL HG13 H 1 0.772 0.000 . 2 . . . . . 191 VAL HG13 . 50768 1 40 . 1 . 1 65 65 VAL HG21 H 1 0.948 0.000 . 2 . . . . . 191 VAL HG21 . 50768 1 41 . 1 . 1 65 65 VAL HG22 H 1 0.948 0.000 . 2 . . . . . 191 VAL HG22 . 50768 1 42 . 1 . 1 65 65 VAL HG23 H 1 0.948 0.000 . 2 . . . . . 191 VAL HG23 . 50768 1 43 . 1 . 1 65 65 VAL CG1 C 13 20.985 0.000 . 2 . . . . . 191 VAL CG1 . 50768 1 44 . 1 . 1 65 65 VAL CG2 C 13 23.526 0.000 . 2 . . . . . 191 VAL CG2 . 50768 1 45 . 1 . 1 66 66 LEU HD11 H 1 0.717 0.000 . 2 . . . . . 192 LEU HD11 . 50768 1 46 . 1 . 1 66 66 LEU HD12 H 1 0.717 0.000 . 2 . . . . . 192 LEU HD12 . 50768 1 47 . 1 . 1 66 66 LEU HD13 H 1 0.717 0.000 . 2 . . . . . 192 LEU HD13 . 50768 1 48 . 1 . 1 66 66 LEU HD21 H 1 0.967 0.000 . 2 . . . . . 192 LEU HD21 . 50768 1 49 . 1 . 1 66 66 LEU HD22 H 1 0.967 0.000 . 2 . . . . . 192 LEU HD22 . 50768 1 50 . 1 . 1 66 66 LEU HD23 H 1 0.967 0.000 . 2 . . . . . 192 LEU HD23 . 50768 1 51 . 1 . 1 66 66 LEU CD1 C 13 23.146 0.000 . 2 . . . . . 192 LEU CD1 . 50768 1 52 . 1 . 1 66 66 LEU CD2 C 13 26.482 0.000 . 2 . . . . . 192 LEU CD2 . 50768 1 53 . 1 . 1 69 69 VAL HG11 H 1 0.280 0.000 . 2 . . . . . 195 VAL HG11 . 50768 1 54 . 1 . 1 69 69 VAL HG12 H 1 0.280 0.000 . 2 . . . . . 195 VAL HG12 . 50768 1 55 . 1 . 1 69 69 VAL HG13 H 1 0.280 0.000 . 2 . . . . . 195 VAL HG13 . 50768 1 56 . 1 . 1 69 69 VAL HG21 H 1 -0.199 0.000 . 2 . . . . . 195 VAL HG21 . 50768 1 57 . 1 . 1 69 69 VAL HG22 H 1 -0.199 0.000 . 2 . . . . . 195 VAL HG22 . 50768 1 58 . 1 . 1 69 69 VAL HG23 H 1 -0.199 0.000 . 2 . . . . . 195 VAL HG23 . 50768 1 59 . 1 . 1 69 69 VAL CG1 C 13 23.756 0.000 . 2 . . . . . 195 VAL CG1 . 50768 1 60 . 1 . 1 69 69 VAL CG2 C 13 19.921 0.000 . 2 . . . . . 195 VAL CG2 . 50768 1 61 . 1 . 1 70 70 LEU HD11 H 1 0.939 0.000 . 2 . . . . . 196 LEU HD11 . 50768 1 62 . 1 . 1 70 70 LEU HD12 H 1 0.939 0.000 . 2 . . . . . 196 LEU HD12 . 50768 1 63 . 1 . 1 70 70 LEU HD13 H 1 0.939 0.000 . 2 . . . . . 196 LEU HD13 . 50768 1 64 . 1 . 1 70 70 LEU HD21 H 1 0.896 0.000 . 2 . . . . . 196 LEU HD21 . 50768 1 65 . 1 . 1 70 70 LEU HD22 H 1 0.896 0.000 . 2 . . . . . 196 LEU HD22 . 50768 1 66 . 1 . 1 70 70 LEU HD23 H 1 0.896 0.000 . 2 . . . . . 196 LEU HD23 . 50768 1 67 . 1 . 1 70 70 LEU CD1 C 13 21.987 0.000 . 2 . . . . . 196 LEU CD1 . 50768 1 68 . 1 . 1 70 70 LEU CD2 C 13 25.378 0.000 . 2 . . . . . 196 LEU CD2 . 50768 1 69 . 1 . 1 80 80 ILE HD11 H 1 0.852 0.000 . 1 . . . . . 206 ILE HD11 . 50768 1 70 . 1 . 1 80 80 ILE HD12 H 1 0.852 0.000 . 1 . . . . . 206 ILE HD12 . 50768 1 71 . 1 . 1 80 80 ILE HD13 H 1 0.852 0.000 . 1 . . . . . 206 ILE HD13 . 50768 1 72 . 1 . 1 80 80 ILE CD1 C 13 13.222 0.000 . 1 . . . . . 206 ILE CD1 . 50768 1 73 . 1 . 1 85 85 ILE HD11 H 1 0.789 0.000 . 1 . . . . . 211 ILE HD11 . 50768 1 74 . 1 . 1 85 85 ILE HD12 H 1 0.789 0.000 . 1 . . . . . 211 ILE HD12 . 50768 1 75 . 1 . 1 85 85 ILE HD13 H 1 0.789 0.000 . 1 . . . . . 211 ILE HD13 . 50768 1 76 . 1 . 1 85 85 ILE CD1 C 13 12.837 0.000 . 1 . . . . . 211 ILE CD1 . 50768 1 77 . 1 . 1 87 87 ILE HD11 H 1 0.652 0.000 . 1 . . . . . 213 ILE HD11 . 50768 1 78 . 1 . 1 87 87 ILE HD12 H 1 0.652 0.000 . 1 . . . . . 213 ILE HD12 . 50768 1 79 . 1 . 1 87 87 ILE HD13 H 1 0.652 0.000 . 1 . . . . . 213 ILE HD13 . 50768 1 80 . 1 . 1 87 87 ILE CD1 C 13 14.483 0.000 . 1 . . . . . 213 ILE CD1 . 50768 1 81 . 1 . 1 88 88 ILE HD11 H 1 1.091 0.000 . 1 . . . . . 214 ILE HD11 . 50768 1 82 . 1 . 1 88 88 ILE HD12 H 1 1.091 0.000 . 1 . . . . . 214 ILE HD12 . 50768 1 83 . 1 . 1 88 88 ILE HD13 H 1 1.091 0.000 . 1 . . . . . 214 ILE HD13 . 50768 1 84 . 1 . 1 88 88 ILE CD1 C 13 15.583 0.000 . 1 . . . . . 214 ILE CD1 . 50768 1 85 . 1 . 1 94 94 LEU HD11 H 1 0.753 0.000 . 2 . . . . . 220 LEU HD11 . 50768 1 86 . 1 . 1 94 94 LEU HD12 H 1 0.753 0.000 . 2 . . . . . 220 LEU HD12 . 50768 1 87 . 1 . 1 94 94 LEU HD13 H 1 0.753 0.000 . 2 . . . . . 220 LEU HD13 . 50768 1 88 . 1 . 1 94 94 LEU HD21 H 1 0.778 0.000 . 2 . . . . . 220 LEU HD21 . 50768 1 89 . 1 . 1 94 94 LEU HD22 H 1 0.778 0.000 . 2 . . . . . 220 LEU HD22 . 50768 1 90 . 1 . 1 94 94 LEU HD23 H 1 0.778 0.000 . 2 . . . . . 220 LEU HD23 . 50768 1 91 . 1 . 1 94 94 LEU CD1 C 13 27.853 0.000 . 2 . . . . . 220 LEU CD1 . 50768 1 92 . 1 . 1 94 94 LEU CD2 C 13 24.411 0.000 . 2 . . . . . 220 LEU CD2 . 50768 1 93 . 1 . 1 109 109 LEU HD11 H 1 0.768 0.000 . 2 . . . . . 235 LEU HD11 . 50768 1 94 . 1 . 1 109 109 LEU HD12 H 1 0.768 0.000 . 2 . . . . . 235 LEU HD12 . 50768 1 95 . 1 . 1 109 109 LEU HD13 H 1 0.768 0.000 . 2 . . . . . 235 LEU HD13 . 50768 1 96 . 1 . 1 109 109 LEU HD21 H 1 0.721 0.000 . 2 . . . . . 235 LEU HD21 . 50768 1 97 . 1 . 1 109 109 LEU HD22 H 1 0.721 0.000 . 2 . . . . . 235 LEU HD22 . 50768 1 98 . 1 . 1 109 109 LEU HD23 H 1 0.721 0.000 . 2 . . . . . 235 LEU HD23 . 50768 1 99 . 1 . 1 109 109 LEU CD1 C 13 22.212 0.000 . 2 . . . . . 235 LEU CD1 . 50768 1 100 . 1 . 1 109 109 LEU CD2 C 13 27.619 0.000 . 2 . . . . . 235 LEU CD2 . 50768 1 101 . 1 . 1 110 110 VAL HG11 H 1 -0.223 0.000 . 2 . . . . . 236 VAL HG11 . 50768 1 102 . 1 . 1 110 110 VAL HG12 H 1 -0.223 0.000 . 2 . . . . . 236 VAL HG12 . 50768 1 103 . 1 . 1 110 110 VAL HG13 H 1 -0.223 0.000 . 2 . . . . . 236 VAL HG13 . 50768 1 104 . 1 . 1 110 110 VAL HG21 H 1 0.388 0.000 . 2 . . . . . 236 VAL HG21 . 50768 1 105 . 1 . 1 110 110 VAL HG22 H 1 0.388 0.000 . 2 . . . . . 236 VAL HG22 . 50768 1 106 . 1 . 1 110 110 VAL HG23 H 1 0.388 0.000 . 2 . . . . . 236 VAL HG23 . 50768 1 107 . 1 . 1 110 110 VAL CG1 C 13 23.983 0.000 . 2 . . . . . 236 VAL CG1 . 50768 1 108 . 1 . 1 110 110 VAL CG2 C 13 21.425 0.000 . 2 . . . . . 236 VAL CG2 . 50768 1 109 . 1 . 1 112 112 ILE HD11 H 1 0.498 0.000 . 1 . . . . . 238 ILE HD11 . 50768 1 110 . 1 . 1 112 112 ILE HD12 H 1 0.498 0.000 . 1 . . . . . 238 ILE HD12 . 50768 1 111 . 1 . 1 112 112 ILE HD13 H 1 0.498 0.000 . 1 . . . . . 238 ILE HD13 . 50768 1 112 . 1 . 1 112 112 ILE CD1 C 13 14.356 0.000 . 1 . . . . . 238 ILE CD1 . 50768 1 113 . 1 . 1 113 113 ILE HD11 H 1 0.838 0.000 . 1 . . . . . 239 ILE HD11 . 50768 1 114 . 1 . 1 113 113 ILE HD12 H 1 0.838 0.000 . 1 . . . . . 239 ILE HD12 . 50768 1 115 . 1 . 1 113 113 ILE HD13 H 1 0.838 0.000 . 1 . . . . . 239 ILE HD13 . 50768 1 116 . 1 . 1 113 113 ILE CD1 C 13 15.530 0.000 . 1 . . . . . 239 ILE CD1 . 50768 1 117 . 1 . 1 116 116 LEU HD11 H 1 1.040 0.000 . 2 . . . . . 242 LEU HD11 . 50768 1 118 . 1 . 1 116 116 LEU HD12 H 1 1.040 0.000 . 2 . . . . . 242 LEU HD12 . 50768 1 119 . 1 . 1 116 116 LEU HD13 H 1 1.040 0.000 . 2 . . . . . 242 LEU HD13 . 50768 1 120 . 1 . 1 116 116 LEU HD21 H 1 0.870 0.000 . 2 . . . . . 242 LEU HD21 . 50768 1 121 . 1 . 1 116 116 LEU HD22 H 1 0.870 0.000 . 2 . . . . . 242 LEU HD22 . 50768 1 122 . 1 . 1 116 116 LEU HD23 H 1 0.870 0.000 . 2 . . . . . 242 LEU HD23 . 50768 1 123 . 1 . 1 116 116 LEU CD1 C 13 22.447 0.000 . 2 . . . . . 242 LEU CD1 . 50768 1 124 . 1 . 1 116 116 LEU CD2 C 13 25.638 0.000 . 2 . . . . . 242 LEU CD2 . 50768 1 125 . 1 . 1 117 117 LEU HD11 H 1 0.773 0.000 . 2 . . . . . 243 LEU HD11 . 50768 1 126 . 1 . 1 117 117 LEU HD12 H 1 0.773 0.000 . 2 . . . . . 243 LEU HD12 . 50768 1 127 . 1 . 1 117 117 LEU HD13 H 1 0.773 0.000 . 2 . . . . . 243 LEU HD13 . 50768 1 128 . 1 . 1 117 117 LEU HD21 H 1 0.791 0.000 . 2 . . . . . 243 LEU HD21 . 50768 1 129 . 1 . 1 117 117 LEU HD22 H 1 0.791 0.000 . 2 . . . . . 243 LEU HD22 . 50768 1 130 . 1 . 1 117 117 LEU HD23 H 1 0.791 0.000 . 2 . . . . . 243 LEU HD23 . 50768 1 131 . 1 . 1 117 117 LEU CD1 C 13 25.445 0.000 . 2 . . . . . 243 LEU CD1 . 50768 1 132 . 1 . 1 117 117 LEU CD2 C 13 22.163 0.000 . 2 . . . . . 243 LEU CD2 . 50768 1 133 . 1 . 1 123 123 LEU HD11 H 1 0.248 0.000 . 2 . . . . . 249 LEU HD11 . 50768 1 134 . 1 . 1 123 123 LEU HD12 H 1 0.248 0.000 . 2 . . . . . 249 LEU HD12 . 50768 1 135 . 1 . 1 123 123 LEU HD13 H 1 0.248 0.000 . 2 . . . . . 249 LEU HD13 . 50768 1 136 . 1 . 1 123 123 LEU HD21 H 1 0.284 0.000 . 2 . . . . . 249 LEU HD21 . 50768 1 137 . 1 . 1 123 123 LEU HD22 H 1 0.284 0.000 . 2 . . . . . 249 LEU HD22 . 50768 1 138 . 1 . 1 123 123 LEU HD23 H 1 0.284 0.000 . 2 . . . . . 249 LEU HD23 . 50768 1 139 . 1 . 1 123 123 LEU CD1 C 13 22.681 0.000 . 2 . . . . . 249 LEU CD1 . 50768 1 140 . 1 . 1 123 123 LEU CD2 C 13 23.958 0.000 . 2 . . . . . 249 LEU CD2 . 50768 1 141 . 1 . 1 124 124 ILE HD11 H 1 0.720 0.000 . 1 . . . . . 250 ILE HD11 . 50768 1 142 . 1 . 1 124 124 ILE HD12 H 1 0.720 0.000 . 1 . . . . . 250 ILE HD12 . 50768 1 143 . 1 . 1 124 124 ILE HD13 H 1 0.720 0.000 . 1 . . . . . 250 ILE HD13 . 50768 1 144 . 1 . 1 124 124 ILE CD1 C 13 11.823 0.000 . 1 . . . . . 250 ILE CD1 . 50768 1 145 . 1 . 1 134 134 VAL HG11 H 1 1.166 0.000 . 2 . . . . . 260 VAL HG11 . 50768 1 146 . 1 . 1 134 134 VAL HG12 H 1 1.166 0.000 . 2 . . . . . 260 VAL HG12 . 50768 1 147 . 1 . 1 134 134 VAL HG13 H 1 1.166 0.000 . 2 . . . . . 260 VAL HG13 . 50768 1 148 . 1 . 1 134 134 VAL HG21 H 1 0.954 0.000 . 2 . . . . . 260 VAL HG21 . 50768 1 149 . 1 . 1 134 134 VAL HG22 H 1 0.954 0.000 . 2 . . . . . 260 VAL HG22 . 50768 1 150 . 1 . 1 134 134 VAL HG23 H 1 0.954 0.000 . 2 . . . . . 260 VAL HG23 . 50768 1 151 . 1 . 1 134 134 VAL CG1 C 13 23.278 0.000 . 2 . . . . . 260 VAL CG1 . 50768 1 152 . 1 . 1 134 134 VAL CG2 C 13 20.627 0.000 . 2 . . . . . 260 VAL CG2 . 50768 1 153 . 1 . 1 135 135 ILE HD11 H 1 0.845 0.000 . 1 . . . . . 261 ILE HD11 . 50768 1 154 . 1 . 1 135 135 ILE HD12 H 1 0.845 0.000 . 1 . . . . . 261 ILE HD12 . 50768 1 155 . 1 . 1 135 135 ILE HD13 H 1 0.845 0.000 . 1 . . . . . 261 ILE HD13 . 50768 1 156 . 1 . 1 135 135 ILE CD1 C 13 12.046 0.000 . 1 . . . . . 261 ILE CD1 . 50768 1 157 . 1 . 1 136 136 ILE HD11 H 1 0.848 0.000 . 1 . . . . . 262 ILE HD11 . 50768 1 158 . 1 . 1 136 136 ILE HD12 H 1 0.848 0.000 . 1 . . . . . 262 ILE HD12 . 50768 1 159 . 1 . 1 136 136 ILE HD13 H 1 0.848 0.000 . 1 . . . . . 262 ILE HD13 . 50768 1 160 . 1 . 1 136 136 ILE CD1 C 13 15.321 0.000 . 1 . . . . . 262 ILE CD1 . 50768 1 161 . 1 . 1 137 137 VAL HG11 H 1 0.719 0.000 . 2 . . . . . 263 VAL HG11 . 50768 1 162 . 1 . 1 137 137 VAL HG12 H 1 0.719 0.000 . 2 . . . . . 263 VAL HG12 . 50768 1 163 . 1 . 1 137 137 VAL HG13 H 1 0.719 0.000 . 2 . . . . . 263 VAL HG13 . 50768 1 164 . 1 . 1 137 137 VAL HG21 H 1 0.746 0.000 . 2 . . . . . 263 VAL HG21 . 50768 1 165 . 1 . 1 137 137 VAL HG22 H 1 0.746 0.000 . 2 . . . . . 263 VAL HG22 . 50768 1 166 . 1 . 1 137 137 VAL HG23 H 1 0.746 0.000 . 2 . . . . . 263 VAL HG23 . 50768 1 167 . 1 . 1 137 137 VAL CG1 C 13 21.975 0.000 . 2 . . . . . 263 VAL CG1 . 50768 1 168 . 1 . 1 137 137 VAL CG2 C 13 22.090 0.000 . 2 . . . . . 263 VAL CG2 . 50768 1 169 . 1 . 1 143 143 LEU HD11 H 1 0.892 0.000 . 2 . . . . . 269 LEU HD11 . 50768 1 170 . 1 . 1 143 143 LEU HD12 H 1 0.892 0.000 . 2 . . . . . 269 LEU HD12 . 50768 1 171 . 1 . 1 143 143 LEU HD13 H 1 0.892 0.000 . 2 . . . . . 269 LEU HD13 . 50768 1 172 . 1 . 1 143 143 LEU HD21 H 1 0.954 0.000 . 2 . . . . . 269 LEU HD21 . 50768 1 173 . 1 . 1 143 143 LEU HD22 H 1 0.954 0.000 . 2 . . . . . 269 LEU HD22 . 50768 1 174 . 1 . 1 143 143 LEU HD23 H 1 0.954 0.000 . 2 . . . . . 269 LEU HD23 . 50768 1 175 . 1 . 1 143 143 LEU CD1 C 13 23.019 0.000 . 2 . . . . . 269 LEU CD1 . 50768 1 176 . 1 . 1 143 143 LEU CD2 C 13 24.635 0.000 . 2 . . . . . 269 LEU CD2 . 50768 1 177 . 1 . 1 145 145 LEU HD11 H 1 0.777 0.000 . 2 . . . . . 271 LEU HD11 . 50768 1 178 . 1 . 1 145 145 LEU HD12 H 1 0.777 0.000 . 2 . . . . . 271 LEU HD12 . 50768 1 179 . 1 . 1 145 145 LEU HD13 H 1 0.777 0.000 . 2 . . . . . 271 LEU HD13 . 50768 1 180 . 1 . 1 145 145 LEU HD21 H 1 0.615 0.000 . 2 . . . . . 271 LEU HD21 . 50768 1 181 . 1 . 1 145 145 LEU HD22 H 1 0.615 0.000 . 2 . . . . . 271 LEU HD22 . 50768 1 182 . 1 . 1 145 145 LEU HD23 H 1 0.615 0.000 . 2 . . . . . 271 LEU HD23 . 50768 1 183 . 1 . 1 145 145 LEU CD1 C 13 23.250 0.000 . 2 . . . . . 271 LEU CD1 . 50768 1 184 . 1 . 1 145 145 LEU CD2 C 13 24.812 0.000 . 2 . . . . . 271 LEU CD2 . 50768 1 185 . 1 . 1 147 147 ILE HD11 H 1 0.972 0.000 . 1 . . . . . 273 ILE HD11 . 50768 1 186 . 1 . 1 147 147 ILE HD12 H 1 0.972 0.000 . 1 . . . . . 273 ILE HD12 . 50768 1 187 . 1 . 1 147 147 ILE HD13 H 1 0.972 0.000 . 1 . . . . . 273 ILE HD13 . 50768 1 188 . 1 . 1 147 147 ILE CD1 C 13 13.700 0.000 . 1 . . . . . 273 ILE CD1 . 50768 1 189 . 1 . 1 159 159 VAL HG11 H 1 0.801 0.000 . 2 . . . . . 285 VAL HG11 . 50768 1 190 . 1 . 1 159 159 VAL HG12 H 1 0.801 0.000 . 2 . . . . . 285 VAL HG12 . 50768 1 191 . 1 . 1 159 159 VAL HG13 H 1 0.801 0.000 . 2 . . . . . 285 VAL HG13 . 50768 1 192 . 1 . 1 159 159 VAL HG21 H 1 0.941 0.000 . 2 . . . . . 285 VAL HG21 . 50768 1 193 . 1 . 1 159 159 VAL HG22 H 1 0.941 0.000 . 2 . . . . . 285 VAL HG22 . 50768 1 194 . 1 . 1 159 159 VAL HG23 H 1 0.941 0.000 . 2 . . . . . 285 VAL HG23 . 50768 1 195 . 1 . 1 159 159 VAL CG1 C 13 17.871 0.000 . 2 . . . . . 285 VAL CG1 . 50768 1 196 . 1 . 1 159 159 VAL CG2 C 13 20.512 0.000 . 2 . . . . . 285 VAL CG2 . 50768 1 197 . 1 . 1 160 160 LEU HD11 H 1 0.695 0.000 . 2 . . . . . 286 LEU HD11 . 50768 1 198 . 1 . 1 160 160 LEU HD12 H 1 0.695 0.000 . 2 . . . . . 286 LEU HD12 . 50768 1 199 . 1 . 1 160 160 LEU HD13 H 1 0.695 0.000 . 2 . . . . . 286 LEU HD13 . 50768 1 200 . 1 . 1 160 160 LEU HD21 H 1 0.086 0.000 . 2 . . . . . 286 LEU HD21 . 50768 1 201 . 1 . 1 160 160 LEU HD22 H 1 0.086 0.000 . 2 . . . . . 286 LEU HD22 . 50768 1 202 . 1 . 1 160 160 LEU HD23 H 1 0.086 0.000 . 2 . . . . . 286 LEU HD23 . 50768 1 203 . 1 . 1 160 160 LEU CD1 C 13 26.907 0.000 . 2 . . . . . 286 LEU CD1 . 50768 1 204 . 1 . 1 160 160 LEU CD2 C 13 21.453 0.000 . 2 . . . . . 286 LEU CD2 . 50768 1 205 . 1 . 1 162 162 VAL HG11 H 1 0.960 0.000 . 2 . . . . . 288 VAL HG11 . 50768 1 206 . 1 . 1 162 162 VAL HG12 H 1 0.960 0.000 . 2 . . . . . 288 VAL HG12 . 50768 1 207 . 1 . 1 162 162 VAL HG13 H 1 0.960 0.000 . 2 . . . . . 288 VAL HG13 . 50768 1 208 . 1 . 1 162 162 VAL HG21 H 1 0.719 0.000 . 2 . . . . . 288 VAL HG21 . 50768 1 209 . 1 . 1 162 162 VAL HG22 H 1 0.719 0.000 . 2 . . . . . 288 VAL HG22 . 50768 1 210 . 1 . 1 162 162 VAL HG23 H 1 0.719 0.000 . 2 . . . . . 288 VAL HG23 . 50768 1 211 . 1 . 1 162 162 VAL CG1 C 13 21.613 0.000 . 2 . . . . . 288 VAL CG1 . 50768 1 212 . 1 . 1 162 162 VAL CG2 C 13 20.442 0.000 . 2 . . . . . 288 VAL CG2 . 50768 1 213 . 1 . 1 164 164 VAL HG11 H 1 0.756 0.000 . 2 . . . . . 290 VAL HG11 . 50768 1 214 . 1 . 1 164 164 VAL HG12 H 1 0.756 0.000 . 2 . . . . . 290 VAL HG12 . 50768 1 215 . 1 . 1 164 164 VAL HG13 H 1 0.756 0.000 . 2 . . . . . 290 VAL HG13 . 50768 1 216 . 1 . 1 164 164 VAL HG21 H 1 -0.026 0.000 . 2 . . . . . 290 VAL HG21 . 50768 1 217 . 1 . 1 164 164 VAL HG22 H 1 -0.026 0.000 . 2 . . . . . 290 VAL HG22 . 50768 1 218 . 1 . 1 164 164 VAL HG23 H 1 -0.026 0.000 . 2 . . . . . 290 VAL HG23 . 50768 1 219 . 1 . 1 164 164 VAL CG1 C 13 22.651 0.000 . 2 . . . . . 290 VAL CG1 . 50768 1 220 . 1 . 1 164 164 VAL CG2 C 13 18.101 0.000 . 2 . . . . . 290 VAL CG2 . 50768 1 221 . 1 . 1 178 178 ILE HD11 H 1 0.213 0.000 . 1 . . . . . 304 ILE HD11 . 50768 1 222 . 1 . 1 178 178 ILE HD12 H 1 0.213 0.000 . 1 . . . . . 304 ILE HD12 . 50768 1 223 . 1 . 1 178 178 ILE HD13 H 1 0.213 0.000 . 1 . . . . . 304 ILE HD13 . 50768 1 224 . 1 . 1 178 178 ILE CD1 C 13 14.054 0.000 . 1 . . . . . 304 ILE CD1 . 50768 1 225 . 1 . 1 184 184 ILE HD11 H 1 0.705 0.000 . 1 . . . . . 310 ILE HD11 . 50768 1 226 . 1 . 1 184 184 ILE HD12 H 1 0.705 0.000 . 1 . . . . . 310 ILE HD12 . 50768 1 227 . 1 . 1 184 184 ILE HD13 H 1 0.705 0.000 . 1 . . . . . 310 ILE HD13 . 50768 1 228 . 1 . 1 184 184 ILE CD1 C 13 13.107 0.000 . 1 . . . . . 310 ILE CD1 . 50768 1 229 . 1 . 1 185 185 LEU HD11 H 1 0.676 0.000 . 1 . . . . . 311 LEU HD11 . 50768 1 230 . 1 . 1 185 185 LEU HD12 H 1 0.676 0.000 . 1 . . . . . 311 LEU HD12 . 50768 1 231 . 1 . 1 185 185 LEU HD13 H 1 0.676 0.000 . 1 . . . . . 311 LEU HD13 . 50768 1 232 . 1 . 1 185 185 LEU CD1 C 13 26.673 0.000 . 1 . . . . . 311 LEU CD1 . 50768 1 233 . 1 . 1 186 186 VAL HG11 H 1 1.161 0.000 . 2 . . . . . 312 VAL HG11 . 50768 1 234 . 1 . 1 186 186 VAL HG12 H 1 1.161 0.000 . 2 . . . . . 312 VAL HG12 . 50768 1 235 . 1 . 1 186 186 VAL HG13 H 1 1.161 0.000 . 2 . . . . . 312 VAL HG13 . 50768 1 236 . 1 . 1 186 186 VAL HG21 H 1 0.979 0.000 . 2 . . . . . 312 VAL HG21 . 50768 1 237 . 1 . 1 186 186 VAL HG22 H 1 0.979 0.000 . 2 . . . . . 312 VAL HG22 . 50768 1 238 . 1 . 1 186 186 VAL HG23 H 1 0.979 0.000 . 2 . . . . . 312 VAL HG23 . 50768 1 239 . 1 . 1 186 186 VAL CG1 C 13 22.016 0.000 . 2 . . . . . 312 VAL CG1 . 50768 1 240 . 1 . 1 186 186 VAL CG2 C 13 20.827 0.000 . 2 . . . . . 312 VAL CG2 . 50768 1 241 . 1 . 1 192 192 LEU HD11 H 1 0.896 0.000 . 2 . . . . . 318 LEU HD11 . 50768 1 242 . 1 . 1 192 192 LEU HD12 H 1 0.896 0.000 . 2 . . . . . 318 LEU HD12 . 50768 1 243 . 1 . 1 192 192 LEU HD13 H 1 0.896 0.000 . 2 . . . . . 318 LEU HD13 . 50768 1 244 . 1 . 1 192 192 LEU HD21 H 1 0.896 0.000 . 2 . . . . . 318 LEU HD21 . 50768 1 245 . 1 . 1 192 192 LEU HD22 H 1 0.896 0.000 . 2 . . . . . 318 LEU HD22 . 50768 1 246 . 1 . 1 192 192 LEU HD23 H 1 0.896 0.000 . 2 . . . . . 318 LEU HD23 . 50768 1 247 . 1 . 1 192 192 LEU CD1 C 13 26.525 0.000 . 2 . . . . . 318 LEU CD1 . 50768 1 248 . 1 . 1 192 192 LEU CD2 C 13 23.152 0.000 . 2 . . . . . 318 LEU CD2 . 50768 1 249 . 1 . 1 196 196 VAL HG11 H 1 0.823 0.000 . 2 . . . . . 322 VAL HG11 . 50768 1 250 . 1 . 1 196 196 VAL HG12 H 1 0.823 0.000 . 2 . . . . . 322 VAL HG12 . 50768 1 251 . 1 . 1 196 196 VAL HG13 H 1 0.823 0.000 . 2 . . . . . 322 VAL HG13 . 50768 1 252 . 1 . 1 196 196 VAL HG21 H 1 0.820 0.000 . 2 . . . . . 322 VAL HG21 . 50768 1 253 . 1 . 1 196 196 VAL HG22 H 1 0.820 0.000 . 2 . . . . . 322 VAL HG22 . 50768 1 254 . 1 . 1 196 196 VAL HG23 H 1 0.820 0.000 . 2 . . . . . 322 VAL HG23 . 50768 1 255 . 1 . 1 196 196 VAL CG1 C 13 21.713 0.000 . 2 . . . . . 322 VAL CG1 . 50768 1 256 . 1 . 1 196 196 VAL CG2 C 13 23.533 0.000 . 2 . . . . . 322 VAL CG2 . 50768 1 257 . 1 . 1 201 201 VAL HG11 H 1 0.197 0.000 . 2 . . . . . 327 VAL HG11 . 50768 1 258 . 1 . 1 201 201 VAL HG12 H 1 0.197 0.000 . 2 . . . . . 327 VAL HG12 . 50768 1 259 . 1 . 1 201 201 VAL HG13 H 1 0.197 0.000 . 2 . . . . . 327 VAL HG13 . 50768 1 260 . 1 . 1 201 201 VAL HG21 H 1 0.348 0.000 . 2 . . . . . 327 VAL HG21 . 50768 1 261 . 1 . 1 201 201 VAL HG22 H 1 0.348 0.000 . 2 . . . . . 327 VAL HG22 . 50768 1 262 . 1 . 1 201 201 VAL HG23 H 1 0.348 0.000 . 2 . . . . . 327 VAL HG23 . 50768 1 263 . 1 . 1 201 201 VAL CG1 C 13 21.115 0.000 . 2 . . . . . 327 VAL CG1 . 50768 1 264 . 1 . 1 201 201 VAL CG2 C 13 22.233 0.000 . 2 . . . . . 327 VAL CG2 . 50768 1 265 . 1 . 1 206 206 VAL HG11 H 1 1.202 0.000 . 2 . . . . . 332 VAL HG11 . 50768 1 266 . 1 . 1 206 206 VAL HG12 H 1 1.202 0.000 . 2 . . . . . 332 VAL HG12 . 50768 1 267 . 1 . 1 206 206 VAL HG13 H 1 1.202 0.000 . 2 . . . . . 332 VAL HG13 . 50768 1 268 . 1 . 1 206 206 VAL HG21 H 1 0.844 0.000 . 2 . . . . . 332 VAL HG21 . 50768 1 269 . 1 . 1 206 206 VAL HG22 H 1 0.844 0.000 . 2 . . . . . 332 VAL HG22 . 50768 1 270 . 1 . 1 206 206 VAL HG23 H 1 0.844 0.000 . 2 . . . . . 332 VAL HG23 . 50768 1 271 . 1 . 1 206 206 VAL CG1 C 13 24.558 0.000 . 2 . . . . . 332 VAL CG1 . 50768 1 272 . 1 . 1 206 206 VAL CG2 C 13 22.971 0.000 . 2 . . . . . 332 VAL CG2 . 50768 1 273 . 1 . 1 209 209 VAL HG11 H 1 0.761 0.000 . 2 . . . . . 335 VAL HG11 . 50768 1 274 . 1 . 1 209 209 VAL HG12 H 1 0.761 0.000 . 2 . . . . . 335 VAL HG12 . 50768 1 275 . 1 . 1 209 209 VAL HG13 H 1 0.761 0.000 . 2 . . . . . 335 VAL HG13 . 50768 1 276 . 1 . 1 209 209 VAL HG21 H 1 0.804 0.000 . 2 . . . . . 335 VAL HG21 . 50768 1 277 . 1 . 1 209 209 VAL HG22 H 1 0.804 0.000 . 2 . . . . . 335 VAL HG22 . 50768 1 278 . 1 . 1 209 209 VAL HG23 H 1 0.804 0.000 . 2 . . . . . 335 VAL HG23 . 50768 1 279 . 1 . 1 209 209 VAL CG1 C 13 20.797 0.000 . 2 . . . . . 335 VAL CG1 . 50768 1 280 . 1 . 1 209 209 VAL CG2 C 13 22.139 0.000 . 2 . . . . . 335 VAL CG2 . 50768 1 281 . 1 . 1 210 210 VAL HG11 H 1 0.628 0.000 . 2 . . . . . 336 VAL HG11 . 50768 1 282 . 1 . 1 210 210 VAL HG12 H 1 0.628 0.000 . 2 . . . . . 336 VAL HG12 . 50768 1 283 . 1 . 1 210 210 VAL HG13 H 1 0.628 0.000 . 2 . . . . . 336 VAL HG13 . 50768 1 284 . 1 . 1 210 210 VAL HG21 H 1 -0.026 0.000 . 2 . . . . . 336 VAL HG21 . 50768 1 285 . 1 . 1 210 210 VAL HG22 H 1 -0.026 0.000 . 2 . . . . . 336 VAL HG22 . 50768 1 286 . 1 . 1 210 210 VAL HG23 H 1 -0.026 0.000 . 2 . . . . . 336 VAL HG23 . 50768 1 287 . 1 . 1 210 210 VAL CG1 C 13 20.190 0.000 . 2 . . . . . 336 VAL CG1 . 50768 1 288 . 1 . 1 210 210 VAL CG2 C 13 18.503 0.000 . 2 . . . . . 336 VAL CG2 . 50768 1 289 . 1 . 1 211 211 LEU HD11 H 1 0.653 0.000 . 2 . . . . . 337 LEU HD11 . 50768 1 290 . 1 . 1 211 211 LEU HD12 H 1 0.653 0.000 . 2 . . . . . 337 LEU HD12 . 50768 1 291 . 1 . 1 211 211 LEU HD13 H 1 0.653 0.000 . 2 . . . . . 337 LEU HD13 . 50768 1 292 . 1 . 1 211 211 LEU HD21 H 1 0.733 0.000 . 2 . . . . . 337 LEU HD21 . 50768 1 293 . 1 . 1 211 211 LEU HD22 H 1 0.733 0.000 . 2 . . . . . 337 LEU HD22 . 50768 1 294 . 1 . 1 211 211 LEU HD23 H 1 0.733 0.000 . 2 . . . . . 337 LEU HD23 . 50768 1 295 . 1 . 1 211 211 LEU CD1 C 13 23.565 0.000 . 2 . . . . . 337 LEU CD1 . 50768 1 296 . 1 . 1 211 211 LEU CD2 C 13 25.302 0.000 . 2 . . . . . 337 LEU CD2 . 50768 1 297 . 1 . 1 218 218 LEU HD11 H 1 0.897 0.000 . 2 . . . . . 344 LEU HD11 . 50768 1 298 . 1 . 1 218 218 LEU HD12 H 1 0.897 0.000 . 2 . . . . . 344 LEU HD12 . 50768 1 299 . 1 . 1 218 218 LEU HD13 H 1 0.897 0.000 . 2 . . . . . 344 LEU HD13 . 50768 1 300 . 1 . 1 218 218 LEU HD21 H 1 0.915 0.000 . 2 . . . . . 344 LEU HD21 . 50768 1 301 . 1 . 1 218 218 LEU HD22 H 1 0.915 0.000 . 2 . . . . . 344 LEU HD22 . 50768 1 302 . 1 . 1 218 218 LEU HD23 H 1 0.915 0.000 . 2 . . . . . 344 LEU HD23 . 50768 1 303 . 1 . 1 218 218 LEU CD1 C 13 25.131 0.000 . 2 . . . . . 344 LEU CD1 . 50768 1 304 . 1 . 1 218 218 LEU CD2 C 13 24.177 0.000 . 2 . . . . . 344 LEU CD2 . 50768 1 305 . 1 . 1 226 226 ILE HD11 H 1 0.832 0.000 . 1 . . . . . 352 ILE HD11 . 50768 1 306 . 1 . 1 226 226 ILE HD12 H 1 0.832 0.000 . 1 . . . . . 352 ILE HD12 . 50768 1 307 . 1 . 1 226 226 ILE HD13 H 1 0.832 0.000 . 1 . . . . . 352 ILE HD13 . 50768 1 308 . 1 . 1 226 226 ILE CD1 C 13 11.787 0.000 . 1 . . . . . 352 ILE CD1 . 50768 1 309 . 1 . 1 236 236 VAL HG11 H 1 1.121 0.000 . 2 . . . . . 362 VAL HG11 . 50768 1 310 . 1 . 1 236 236 VAL HG12 H 1 1.121 0.000 . 2 . . . . . 362 VAL HG12 . 50768 1 311 . 1 . 1 236 236 VAL HG13 H 1 1.121 0.000 . 2 . . . . . 362 VAL HG13 . 50768 1 312 . 1 . 1 236 236 VAL HG21 H 1 1.093 0.000 . 2 . . . . . 362 VAL HG21 . 50768 1 313 . 1 . 1 236 236 VAL HG22 H 1 1.093 0.000 . 2 . . . . . 362 VAL HG22 . 50768 1 314 . 1 . 1 236 236 VAL HG23 H 1 1.093 0.000 . 2 . . . . . 362 VAL HG23 . 50768 1 315 . 1 . 1 236 236 VAL CG1 C 13 21.745 0.000 . 2 . . . . . 362 VAL CG1 . 50768 1 316 . 1 . 1 236 236 VAL CG2 C 13 20.592 0.000 . 2 . . . . . 362 VAL CG2 . 50768 1 317 . 1 . 1 244 244 LEU HD11 H 1 1.145 0.000 . 2 . . . . . 370 LEU HD11 . 50768 1 318 . 1 . 1 244 244 LEU HD12 H 1 1.145 0.000 . 2 . . . . . 370 LEU HD12 . 50768 1 319 . 1 . 1 244 244 LEU HD13 H 1 1.145 0.000 . 2 . . . . . 370 LEU HD13 . 50768 1 320 . 1 . 1 244 244 LEU HD21 H 1 1.196 0.000 . 2 . . . . . 370 LEU HD21 . 50768 1 321 . 1 . 1 244 244 LEU HD22 H 1 1.196 0.000 . 2 . . . . . 370 LEU HD22 . 50768 1 322 . 1 . 1 244 244 LEU HD23 H 1 1.196 0.000 . 2 . . . . . 370 LEU HD23 . 50768 1 323 . 1 . 1 244 244 LEU CD1 C 13 26.711 0.000 . 2 . . . . . 370 LEU CD1 . 50768 1 324 . 1 . 1 244 244 LEU CD2 C 13 26.524 0.000 . 2 . . . . . 370 LEU CD2 . 50768 1 325 . 1 . 1 254 254 ILE HD11 H 1 0.664 0.000 . 1 . . . . . 380 ILE HD11 . 50768 1 326 . 1 . 1 254 254 ILE HD12 H 1 0.664 0.000 . 1 . . . . . 380 ILE HD12 . 50768 1 327 . 1 . 1 254 254 ILE HD13 H 1 0.664 0.000 . 1 . . . . . 380 ILE HD13 . 50768 1 328 . 1 . 1 254 254 ILE CD1 C 13 8.877 0.000 . 1 . . . . . 380 ILE CD1 . 50768 1 329 . 1 . 1 257 257 LEU HD11 H 1 0.992 0.000 . 2 . . . . . 383 LEU HD11 . 50768 1 330 . 1 . 1 257 257 LEU HD12 H 1 0.992 0.000 . 2 . . . . . 383 LEU HD12 . 50768 1 331 . 1 . 1 257 257 LEU HD13 H 1 0.992 0.000 . 2 . . . . . 383 LEU HD13 . 50768 1 332 . 1 . 1 257 257 LEU HD21 H 1 0.853 0.000 . 2 . . . . . 383 LEU HD21 . 50768 1 333 . 1 . 1 257 257 LEU HD22 H 1 0.853 0.000 . 2 . . . . . 383 LEU HD22 . 50768 1 334 . 1 . 1 257 257 LEU HD23 H 1 0.853 0.000 . 2 . . . . . 383 LEU HD23 . 50768 1 335 . 1 . 1 257 257 LEU CD1 C 13 25.202 0.000 . 2 . . . . . 383 LEU CD1 . 50768 1 336 . 1 . 1 257 257 LEU CD2 C 13 24.098 0.000 . 2 . . . . . 383 LEU CD2 . 50768 1 337 . 1 . 1 262 262 LEU HD11 H 1 0.534 0.000 . 2 . . . . . 388 LEU HD11 . 50768 1 338 . 1 . 1 262 262 LEU HD12 H 1 0.534 0.000 . 2 . . . . . 388 LEU HD12 . 50768 1 339 . 1 . 1 262 262 LEU HD13 H 1 0.534 0.000 . 2 . . . . . 388 LEU HD13 . 50768 1 340 . 1 . 1 262 262 LEU HD21 H 1 0.306 0.000 . 2 . . . . . 388 LEU HD21 . 50768 1 341 . 1 . 1 262 262 LEU HD22 H 1 0.306 0.000 . 2 . . . . . 388 LEU HD22 . 50768 1 342 . 1 . 1 262 262 LEU HD23 H 1 0.306 0.000 . 2 . . . . . 388 LEU HD23 . 50768 1 343 . 1 . 1 262 262 LEU CD1 C 13 24.024 0.000 . 2 . . . . . 388 LEU CD1 . 50768 1 344 . 1 . 1 262 262 LEU CD2 C 13 25.508 0.000 . 2 . . . . . 388 LEU CD2 . 50768 1 345 . 1 . 1 266 266 LEU HD11 H 1 0.885 0.000 . 2 . . . . . 392 LEU HD11 . 50768 1 346 . 1 . 1 266 266 LEU HD12 H 1 0.885 0.000 . 2 . . . . . 392 LEU HD12 . 50768 1 347 . 1 . 1 266 266 LEU HD13 H 1 0.885 0.000 . 2 . . . . . 392 LEU HD13 . 50768 1 348 . 1 . 1 266 266 LEU HD21 H 1 0.787 0.000 . 2 . . . . . 392 LEU HD21 . 50768 1 349 . 1 . 1 266 266 LEU HD22 H 1 0.787 0.000 . 2 . . . . . 392 LEU HD22 . 50768 1 350 . 1 . 1 266 266 LEU HD23 H 1 0.787 0.000 . 2 . . . . . 392 LEU HD23 . 50768 1 351 . 1 . 1 266 266 LEU CD1 C 13 27.212 0.000 . 2 . . . . . 392 LEU CD1 . 50768 1 352 . 1 . 1 266 266 LEU CD2 C 13 24.052 0.000 . 2 . . . . . 392 LEU CD2 . 50768 1 353 . 1 . 1 268 268 VAL HG11 H 1 0.633 0.000 . 2 . . . . . 394 VAL HG11 . 50768 1 354 . 1 . 1 268 268 VAL HG12 H 1 0.633 0.000 . 2 . . . . . 394 VAL HG12 . 50768 1 355 . 1 . 1 268 268 VAL HG13 H 1 0.633 0.000 . 2 . . . . . 394 VAL HG13 . 50768 1 356 . 1 . 1 268 268 VAL HG21 H 1 0.679 0.000 . 2 . . . . . 394 VAL HG21 . 50768 1 357 . 1 . 1 268 268 VAL HG22 H 1 0.679 0.000 . 2 . . . . . 394 VAL HG22 . 50768 1 358 . 1 . 1 268 268 VAL HG23 H 1 0.679 0.000 . 2 . . . . . 394 VAL HG23 . 50768 1 359 . 1 . 1 268 268 VAL CG1 C 13 21.380 0.000 . 2 . . . . . 394 VAL CG1 . 50768 1 360 . 1 . 1 268 268 VAL CG2 C 13 21.985 0.000 . 2 . . . . . 394 VAL CG2 . 50768 1 361 . 1 . 1 270 270 VAL HG11 H 1 0.831 0.000 . 2 . . . . . 396 VAL HG11 . 50768 1 362 . 1 . 1 270 270 VAL HG12 H 1 0.831 0.000 . 2 . . . . . 396 VAL HG12 . 50768 1 363 . 1 . 1 270 270 VAL HG13 H 1 0.831 0.000 . 2 . . . . . 396 VAL HG13 . 50768 1 364 . 1 . 1 270 270 VAL HG21 H 1 0.710 0.000 . 2 . . . . . 396 VAL HG21 . 50768 1 365 . 1 . 1 270 270 VAL HG22 H 1 0.710 0.000 . 2 . . . . . 396 VAL HG22 . 50768 1 366 . 1 . 1 270 270 VAL HG23 H 1 0.710 0.000 . 2 . . . . . 396 VAL HG23 . 50768 1 367 . 1 . 1 270 270 VAL CG1 C 13 22.111 0.000 . 2 . . . . . 396 VAL CG1 . 50768 1 368 . 1 . 1 270 270 VAL CG2 C 13 21.201 0.000 . 2 . . . . . 396 VAL CG2 . 50768 1 369 . 1 . 1 280 280 VAL HG11 H 1 0.637 0.000 . 1 . . . . . 406 VAL HG11 . 50768 1 370 . 1 . 1 280 280 VAL HG12 H 1 0.637 0.000 . 1 . . . . . 406 VAL HG12 . 50768 1 371 . 1 . 1 280 280 VAL HG13 H 1 0.637 0.000 . 1 . . . . . 406 VAL HG13 . 50768 1 372 . 1 . 1 280 280 VAL CG1 C 13 21.330 0.000 . 1 . . . . . 406 VAL CG1 . 50768 1 373 . 1 . 1 283 283 ILE HD11 H 1 0.818 0.000 . 1 . . . . . 409 ILE HD11 . 50768 1 374 . 1 . 1 283 283 ILE HD12 H 1 0.818 0.000 . 1 . . . . . 409 ILE HD12 . 50768 1 375 . 1 . 1 283 283 ILE HD13 H 1 0.818 0.000 . 1 . . . . . 409 ILE HD13 . 50768 1 376 . 1 . 1 283 283 ILE CD1 C 13 13.124 0.000 . 1 . . . . . 409 ILE CD1 . 50768 1 377 . 1 . 1 285 285 ILE HD11 H 1 0.735 0.000 . 1 . . . . . 411 ILE HD11 . 50768 1 378 . 1 . 1 285 285 ILE HD12 H 1 0.735 0.000 . 1 . . . . . 411 ILE HD12 . 50768 1 379 . 1 . 1 285 285 ILE HD13 H 1 0.735 0.000 . 1 . . . . . 411 ILE HD13 . 50768 1 380 . 1 . 1 285 285 ILE CD1 C 13 12.951 0.000 . 1 . . . . . 411 ILE CD1 . 50768 1 381 . 1 . 1 287 287 VAL HG11 H 1 0.433 0.000 . 2 . . . . . 413 VAL HG11 . 50768 1 382 . 1 . 1 287 287 VAL HG12 H 1 0.433 0.000 . 2 . . . . . 413 VAL HG12 . 50768 1 383 . 1 . 1 287 287 VAL HG13 H 1 0.433 0.000 . 2 . . . . . 413 VAL HG13 . 50768 1 384 . 1 . 1 287 287 VAL HG21 H 1 0.407 0.000 . 2 . . . . . 413 VAL HG21 . 50768 1 385 . 1 . 1 287 287 VAL HG22 H 1 0.407 0.000 . 2 . . . . . 413 VAL HG22 . 50768 1 386 . 1 . 1 287 287 VAL HG23 H 1 0.407 0.000 . 2 . . . . . 413 VAL HG23 . 50768 1 387 . 1 . 1 287 287 VAL CG1 C 13 21.848 0.000 . 2 . . . . . 413 VAL CG1 . 50768 1 388 . 1 . 1 287 287 VAL CG2 C 13 20.157 0.000 . 2 . . . . . 413 VAL CG2 . 50768 1 389 . 1 . 1 296 296 LEU HD11 H 1 0.953 0.000 . 2 . . . . . 422 LEU HD11 . 50768 1 390 . 1 . 1 296 296 LEU HD12 H 1 0.953 0.000 . 2 . . . . . 422 LEU HD12 . 50768 1 391 . 1 . 1 296 296 LEU HD13 H 1 0.953 0.000 . 2 . . . . . 422 LEU HD13 . 50768 1 392 . 1 . 1 296 296 LEU HD21 H 1 1.042 0.000 . 2 . . . . . 422 LEU HD21 . 50768 1 393 . 1 . 1 296 296 LEU HD22 H 1 1.042 0.000 . 2 . . . . . 422 LEU HD22 . 50768 1 394 . 1 . 1 296 296 LEU HD23 H 1 1.042 0.000 . 2 . . . . . 422 LEU HD23 . 50768 1 395 . 1 . 1 296 296 LEU CD1 C 13 27.275 0.000 . 2 . . . . . 422 LEU CD1 . 50768 1 396 . 1 . 1 296 296 LEU CD2 C 13 23.551 0.000 . 2 . . . . . 422 LEU CD2 . 50768 1 397 . 1 . 1 299 299 LEU HD11 H 1 0.906 0.000 . 2 . . . . . 425 LEU HD11 . 50768 1 398 . 1 . 1 299 299 LEU HD12 H 1 0.906 0.000 . 2 . . . . . 425 LEU HD12 . 50768 1 399 . 1 . 1 299 299 LEU HD13 H 1 0.906 0.000 . 2 . . . . . 425 LEU HD13 . 50768 1 400 . 1 . 1 299 299 LEU HD21 H 1 0.791 0.000 . 2 . . . . . 425 LEU HD21 . 50768 1 401 . 1 . 1 299 299 LEU HD22 H 1 0.791 0.000 . 2 . . . . . 425 LEU HD22 . 50768 1 402 . 1 . 1 299 299 LEU HD23 H 1 0.791 0.000 . 2 . . . . . 425 LEU HD23 . 50768 1 403 . 1 . 1 299 299 LEU CD1 C 13 26.141 0.000 . 2 . . . . . 425 LEU CD1 . 50768 1 404 . 1 . 1 299 299 LEU CD2 C 13 25.974 0.000 . 2 . . . . . 425 LEU CD2 . 50768 1 405 . 1 . 1 300 300 ILE HD11 H 1 0.671 0.000 . 1 . . . . . 426 ILE HD11 . 50768 1 406 . 1 . 1 300 300 ILE HD12 H 1 0.671 0.000 . 1 . . . . . 426 ILE HD12 . 50768 1 407 . 1 . 1 300 300 ILE HD13 H 1 0.671 0.000 . 1 . . . . . 426 ILE HD13 . 50768 1 408 . 1 . 1 300 300 ILE CD1 C 13 13.646 0.000 . 1 . . . . . 426 ILE CD1 . 50768 1 409 . 1 . 1 308 308 ILE HD11 H 1 0.729 0.000 . 1 . . . . . 434 ILE HD11 . 50768 1 410 . 1 . 1 308 308 ILE HD12 H 1 0.729 0.000 . 1 . . . . . 434 ILE HD12 . 50768 1 411 . 1 . 1 308 308 ILE HD13 H 1 0.729 0.000 . 1 . . . . . 434 ILE HD13 . 50768 1 412 . 1 . 1 308 308 ILE CD1 C 13 13.987 0.000 . 1 . . . . . 434 ILE CD1 . 50768 1 413 . 1 . 1 309 309 LEU HD11 H 1 0.314 0.000 . 2 . . . . . 435 LEU HD11 . 50768 1 414 . 1 . 1 309 309 LEU HD12 H 1 0.314 0.000 . 2 . . . . . 435 LEU HD12 . 50768 1 415 . 1 . 1 309 309 LEU HD13 H 1 0.314 0.000 . 2 . . . . . 435 LEU HD13 . 50768 1 416 . 1 . 1 309 309 LEU HD21 H 1 0.512 0.000 . 2 . . . . . 435 LEU HD21 . 50768 1 417 . 1 . 1 309 309 LEU HD22 H 1 0.512 0.000 . 2 . . . . . 435 LEU HD22 . 50768 1 418 . 1 . 1 309 309 LEU HD23 H 1 0.512 0.000 . 2 . . . . . 435 LEU HD23 . 50768 1 419 . 1 . 1 309 309 LEU CD1 C 13 23.479 0.000 . 2 . . . . . 435 LEU CD1 . 50768 1 420 . 1 . 1 309 309 LEU CD2 C 13 26.535 0.000 . 2 . . . . . 435 LEU CD2 . 50768 1 421 . 1 . 1 310 310 VAL HG11 H 1 0.727 0.000 . 2 . . . . . 436 VAL HG11 . 50768 1 422 . 1 . 1 310 310 VAL HG12 H 1 0.727 0.000 . 2 . . . . . 436 VAL HG12 . 50768 1 423 . 1 . 1 310 310 VAL HG13 H 1 0.727 0.000 . 2 . . . . . 436 VAL HG13 . 50768 1 424 . 1 . 1 310 310 VAL HG21 H 1 0.650 0.000 . 2 . . . . . 436 VAL HG21 . 50768 1 425 . 1 . 1 310 310 VAL HG22 H 1 0.650 0.000 . 2 . . . . . 436 VAL HG22 . 50768 1 426 . 1 . 1 310 310 VAL HG23 H 1 0.650 0.000 . 2 . . . . . 436 VAL HG23 . 50768 1 427 . 1 . 1 310 310 VAL CG1 C 13 21.770 0.000 . 2 . . . . . 436 VAL CG1 . 50768 1 428 . 1 . 1 310 310 VAL CG2 C 13 21.018 0.000 . 2 . . . . . 436 VAL CG2 . 50768 1 429 . 1 . 1 321 321 ILE HD11 H 1 0.040 0.000 . 1 . . . . . 447 ILE HD11 . 50768 1 430 . 1 . 1 321 321 ILE HD12 H 1 0.040 0.000 . 1 . . . . . 447 ILE HD12 . 50768 1 431 . 1 . 1 321 321 ILE HD13 H 1 0.040 0.000 . 1 . . . . . 447 ILE HD13 . 50768 1 432 . 1 . 1 321 321 ILE CD1 C 13 13.024 0.000 . 1 . . . . . 447 ILE CD1 . 50768 1 433 . 1 . 1 325 325 LEU HD11 H 1 0.695 0.000 . 2 . . . . . 451 LEU HD11 . 50768 1 434 . 1 . 1 325 325 LEU HD12 H 1 0.695 0.000 . 2 . . . . . 451 LEU HD12 . 50768 1 435 . 1 . 1 325 325 LEU HD13 H 1 0.695 0.000 . 2 . . . . . 451 LEU HD13 . 50768 1 436 . 1 . 1 325 325 LEU HD21 H 1 0.690 0.000 . 2 . . . . . 451 LEU HD21 . 50768 1 437 . 1 . 1 325 325 LEU HD22 H 1 0.690 0.000 . 2 . . . . . 451 LEU HD22 . 50768 1 438 . 1 . 1 325 325 LEU HD23 H 1 0.690 0.000 . 2 . . . . . 451 LEU HD23 . 50768 1 439 . 1 . 1 325 325 LEU CD1 C 13 22.530 0.000 . 2 . . . . . 451 LEU CD1 . 50768 1 440 . 1 . 1 325 325 LEU CD2 C 13 26.519 0.000 . 2 . . . . . 451 LEU CD2 . 50768 1 441 . 1 . 1 330 330 LEU HD11 H 1 0.834 0.000 . 2 . . . . . 456 LEU HD11 . 50768 1 442 . 1 . 1 330 330 LEU HD12 H 1 0.834 0.000 . 2 . . . . . 456 LEU HD12 . 50768 1 443 . 1 . 1 330 330 LEU HD13 H 1 0.834 0.000 . 2 . . . . . 456 LEU HD13 . 50768 1 444 . 1 . 1 330 330 LEU HD21 H 1 0.829 0.000 . 2 . . . . . 456 LEU HD21 . 50768 1 445 . 1 . 1 330 330 LEU HD22 H 1 0.829 0.000 . 2 . . . . . 456 LEU HD22 . 50768 1 446 . 1 . 1 330 330 LEU HD23 H 1 0.829 0.000 . 2 . . . . . 456 LEU HD23 . 50768 1 447 . 1 . 1 330 330 LEU CD1 C 13 26.022 0.000 . 2 . . . . . 456 LEU CD1 . 50768 1 448 . 1 . 1 330 330 LEU CD2 C 13 23.017 0.000 . 2 . . . . . 456 LEU CD2 . 50768 1 449 . 1 . 1 335 335 ILE HD11 H 1 0.751 0.000 . 1 . . . . . 461 ILE HD11 . 50768 1 450 . 1 . 1 335 335 ILE HD12 H 1 0.751 0.000 . 1 . . . . . 461 ILE HD12 . 50768 1 451 . 1 . 1 335 335 ILE HD13 H 1 0.751 0.000 . 1 . . . . . 461 ILE HD13 . 50768 1 452 . 1 . 1 335 335 ILE CD1 C 13 13.811 0.000 . 1 . . . . . 461 ILE CD1 . 50768 1 453 . 1 . 1 348 348 LEU HD11 H 1 0.843 0.000 . 2 . . . . . 474 LEU HD11 . 50768 1 454 . 1 . 1 348 348 LEU HD12 H 1 0.843 0.000 . 2 . . . . . 474 LEU HD12 . 50768 1 455 . 1 . 1 348 348 LEU HD13 H 1 0.843 0.000 . 2 . . . . . 474 LEU HD13 . 50768 1 456 . 1 . 1 348 348 LEU HD21 H 1 0.905 0.000 . 2 . . . . . 474 LEU HD21 . 50768 1 457 . 1 . 1 348 348 LEU HD22 H 1 0.905 0.000 . 2 . . . . . 474 LEU HD22 . 50768 1 458 . 1 . 1 348 348 LEU HD23 H 1 0.905 0.000 . 2 . . . . . 474 LEU HD23 . 50768 1 459 . 1 . 1 348 348 LEU CD1 C 13 23.789 0.000 . 2 . . . . . 474 LEU CD1 . 50768 1 460 . 1 . 1 348 348 LEU CD2 C 13 25.026 0.000 . 2 . . . . . 474 LEU CD2 . 50768 1 461 . 1 . 1 358 358 ILE HD11 H 1 0.785 0.000 . 1 . . . . . 484 ILE HD11 . 50768 1 462 . 1 . 1 358 358 ILE HD12 H 1 0.785 0.000 . 1 . . . . . 484 ILE HD12 . 50768 1 463 . 1 . 1 358 358 ILE HD13 H 1 0.785 0.000 . 1 . . . . . 484 ILE HD13 . 50768 1 464 . 1 . 1 358 358 ILE CD1 C 13 14.969 0.000 . 1 . . . . . 484 ILE CD1 . 50768 1 465 . 1 . 1 359 359 LEU HD11 H 1 0.416 0.000 . 2 . . . . . 485 LEU HD11 . 50768 1 466 . 1 . 1 359 359 LEU HD12 H 1 0.416 0.000 . 2 . . . . . 485 LEU HD12 . 50768 1 467 . 1 . 1 359 359 LEU HD13 H 1 0.416 0.000 . 2 . . . . . 485 LEU HD13 . 50768 1 468 . 1 . 1 359 359 LEU HD21 H 1 0.243 0.000 . 2 . . . . . 485 LEU HD21 . 50768 1 469 . 1 . 1 359 359 LEU HD22 H 1 0.243 0.000 . 2 . . . . . 485 LEU HD22 . 50768 1 470 . 1 . 1 359 359 LEU HD23 H 1 0.243 0.000 . 2 . . . . . 485 LEU HD23 . 50768 1 471 . 1 . 1 359 359 LEU CD1 C 13 24.133 0.000 . 2 . . . . . 485 LEU CD1 . 50768 1 472 . 1 . 1 359 359 LEU CD2 C 13 25.673 0.000 . 2 . . . . . 485 LEU CD2 . 50768 1 473 . 1 . 1 369 369 LEU HD11 H 1 0.816 0.000 . 1 . . . . . 495 LEU HD11 . 50768 1 474 . 1 . 1 369 369 LEU HD12 H 1 0.816 0.000 . 1 . . . . . 495 LEU HD12 . 50768 1 475 . 1 . 1 369 369 LEU HD13 H 1 0.816 0.000 . 1 . . . . . 495 LEU HD13 . 50768 1 476 . 1 . 1 369 369 LEU CD1 C 13 25.214 0.000 . 1 . . . . . 495 LEU CD1 . 50768 1 477 . 1 . 1 371 371 ILE HD11 H 1 0.822 0.000 . 1 . . . . . 497 ILE HD11 . 50768 1 478 . 1 . 1 371 371 ILE HD12 H 1 0.822 0.000 . 1 . . . . . 497 ILE HD12 . 50768 1 479 . 1 . 1 371 371 ILE HD13 H 1 0.822 0.000 . 1 . . . . . 497 ILE HD13 . 50768 1 480 . 1 . 1 371 371 ILE CD1 C 13 13.947 0.000 . 1 . . . . . 497 ILE CD1 . 50768 1 481 . 1 . 1 374 374 VAL HG11 H 1 0.976 0.000 . 1 . . . . . 500 VAL HG11 . 50768 1 482 . 1 . 1 374 374 VAL HG12 H 1 0.976 0.000 . 1 . . . . . 500 VAL HG12 . 50768 1 483 . 1 . 1 374 374 VAL HG13 H 1 0.976 0.000 . 1 . . . . . 500 VAL HG13 . 50768 1 484 . 1 . 1 374 374 VAL CG1 C 13 22.852 0.000 . 1 . . . . . 500 VAL CG1 . 50768 1 485 . 1 . 1 376 376 ILE HD11 H 1 0.618 0.000 . 1 . . . . . 502 ILE HD11 . 50768 1 486 . 1 . 1 376 376 ILE HD12 H 1 0.618 0.000 . 1 . . . . . 502 ILE HD12 . 50768 1 487 . 1 . 1 376 376 ILE HD13 H 1 0.618 0.000 . 1 . . . . . 502 ILE HD13 . 50768 1 488 . 1 . 1 376 376 ILE CD1 C 13 13.046 0.000 . 1 . . . . . 502 ILE CD1 . 50768 1 489 . 1 . 1 377 377 VAL HG11 H 1 0.801 0.000 . 1 . . . . . 503 VAL HG11 . 50768 1 490 . 1 . 1 377 377 VAL HG12 H 1 0.801 0.000 . 1 . . . . . 503 VAL HG12 . 50768 1 491 . 1 . 1 377 377 VAL HG13 H 1 0.801 0.000 . 1 . . . . . 503 VAL HG13 . 50768 1 492 . 1 . 1 377 377 VAL CG1 C 13 20.728 0.000 . 1 . . . . . 503 VAL CG1 . 50768 1 493 . 1 . 1 378 378 VAL HG11 H 1 0.302 0.000 . 2 . . . . . 504 VAL HG11 . 50768 1 494 . 1 . 1 378 378 VAL HG12 H 1 0.302 0.000 . 2 . . . . . 504 VAL HG12 . 50768 1 495 . 1 . 1 378 378 VAL HG13 H 1 0.302 0.000 . 2 . . . . . 504 VAL HG13 . 50768 1 496 . 1 . 1 378 378 VAL HG21 H 1 0.609 0.000 . 2 . . . . . 504 VAL HG21 . 50768 1 497 . 1 . 1 378 378 VAL HG22 H 1 0.609 0.000 . 2 . . . . . 504 VAL HG22 . 50768 1 498 . 1 . 1 378 378 VAL HG23 H 1 0.609 0.000 . 2 . . . . . 504 VAL HG23 . 50768 1 499 . 1 . 1 378 378 VAL CG1 C 13 19.028 0.000 . 2 . . . . . 504 VAL CG1 . 50768 1 500 . 1 . 1 378 378 VAL CG2 C 13 22.190 0.000 . 2 . . . . . 504 VAL CG2 . 50768 1 501 . 1 . 1 382 382 LEU HD11 H 1 1.210 0.000 . 2 . . . . . 508 LEU HD11 . 50768 1 502 . 1 . 1 382 382 LEU HD12 H 1 1.210 0.000 . 2 . . . . . 508 LEU HD12 . 50768 1 503 . 1 . 1 382 382 LEU HD13 H 1 1.210 0.000 . 2 . . . . . 508 LEU HD13 . 50768 1 504 . 1 . 1 382 382 LEU HD21 H 1 1.291 0.000 . 2 . . . . . 508 LEU HD21 . 50768 1 505 . 1 . 1 382 382 LEU HD22 H 1 1.291 0.000 . 2 . . . . . 508 LEU HD22 . 50768 1 506 . 1 . 1 382 382 LEU HD23 H 1 1.291 0.000 . 2 . . . . . 508 LEU HD23 . 50768 1 507 . 1 . 1 382 382 LEU CD1 C 13 25.100 0.000 . 2 . . . . . 508 LEU CD1 . 50768 1 508 . 1 . 1 382 382 LEU CD2 C 13 26.034 0.000 . 2 . . . . . 508 LEU CD2 . 50768 1 509 . 1 . 1 386 386 ILE HD11 H 1 0.726 0.000 . 1 . . . . . 512 ILE HD11 . 50768 1 510 . 1 . 1 386 386 ILE HD12 H 1 0.726 0.000 . 1 . . . . . 512 ILE HD12 . 50768 1 511 . 1 . 1 386 386 ILE HD13 H 1 0.726 0.000 . 1 . . . . . 512 ILE HD13 . 50768 1 512 . 1 . 1 386 386 ILE CD1 C 13 13.597 0.000 . 1 . . . . . 512 ILE CD1 . 50768 1 513 . 1 . 1 390 390 VAL HG11 H 1 1.171 0.000 . 2 . . . . . 516 VAL HG11 . 50768 1 514 . 1 . 1 390 390 VAL HG12 H 1 1.171 0.000 . 2 . . . . . 516 VAL HG12 . 50768 1 515 . 1 . 1 390 390 VAL HG13 H 1 1.171 0.000 . 2 . . . . . 516 VAL HG13 . 50768 1 516 . 1 . 1 390 390 VAL HG21 H 1 0.910 0.000 . 2 . . . . . 516 VAL HG21 . 50768 1 517 . 1 . 1 390 390 VAL HG22 H 1 0.910 0.000 . 2 . . . . . 516 VAL HG22 . 50768 1 518 . 1 . 1 390 390 VAL HG23 H 1 0.910 0.000 . 2 . . . . . 516 VAL HG23 . 50768 1 519 . 1 . 1 390 390 VAL CG1 C 13 23.098 0.000 . 2 . . . . . 516 VAL CG1 . 50768 1 520 . 1 . 1 390 390 VAL CG2 C 13 21.227 0.000 . 2 . . . . . 516 VAL CG2 . 50768 1 521 . 1 . 1 393 393 ILE HD11 H 1 0.454 0.000 . 1 . . . . . 519 ILE HD11 . 50768 1 522 . 1 . 1 393 393 ILE HD12 H 1 0.454 0.000 . 1 . . . . . 519 ILE HD12 . 50768 1 523 . 1 . 1 393 393 ILE HD13 H 1 0.454 0.000 . 1 . . . . . 519 ILE HD13 . 50768 1 524 . 1 . 1 393 393 ILE CD1 C 13 13.499 0.000 . 1 . . . . . 519 ILE CD1 . 50768 1 525 . 1 . 1 399 399 VAL HG11 H 1 0.886 0.000 . 2 . . . . . 525 VAL HG11 . 50768 1 526 . 1 . 1 399 399 VAL HG12 H 1 0.886 0.000 . 2 . . . . . 525 VAL HG12 . 50768 1 527 . 1 . 1 399 399 VAL HG13 H 1 0.886 0.000 . 2 . . . . . 525 VAL HG13 . 50768 1 528 . 1 . 1 399 399 VAL HG21 H 1 0.981 0.000 . 2 . . . . . 525 VAL HG21 . 50768 1 529 . 1 . 1 399 399 VAL HG22 H 1 0.981 0.000 . 2 . . . . . 525 VAL HG22 . 50768 1 530 . 1 . 1 399 399 VAL HG23 H 1 0.981 0.000 . 2 . . . . . 525 VAL HG23 . 50768 1 531 . 1 . 1 399 399 VAL CG1 C 13 20.800 0.000 . 2 . . . . . 525 VAL CG1 . 50768 1 532 . 1 . 1 399 399 VAL CG2 C 13 21.479 0.000 . 2 . . . . . 525 VAL CG2 . 50768 1 533 . 1 . 1 406 406 VAL HG11 H 1 0.783 0.000 . 2 . . . . . 532 VAL HG11 . 50768 1 534 . 1 . 1 406 406 VAL HG12 H 1 0.783 0.000 . 2 . . . . . 532 VAL HG12 . 50768 1 535 . 1 . 1 406 406 VAL HG13 H 1 0.783 0.000 . 2 . . . . . 532 VAL HG13 . 50768 1 536 . 1 . 1 406 406 VAL HG21 H 1 0.784 0.000 . 2 . . . . . 532 VAL HG21 . 50768 1 537 . 1 . 1 406 406 VAL HG22 H 1 0.784 0.000 . 2 . . . . . 532 VAL HG22 . 50768 1 538 . 1 . 1 406 406 VAL HG23 H 1 0.784 0.000 . 2 . . . . . 532 VAL HG23 . 50768 1 539 . 1 . 1 406 406 VAL CG1 C 13 20.017 0.000 . 2 . . . . . 532 VAL CG1 . 50768 1 540 . 1 . 1 406 406 VAL CG2 C 13 20.990 0.000 . 2 . . . . . 532 VAL CG2 . 50768 1 541 . 1 . 1 415 415 LEU HD11 H 1 1.018 0.000 . 2 . . . . . 541 LEU HD11 . 50768 1 542 . 1 . 1 415 415 LEU HD12 H 1 1.018 0.000 . 2 . . . . . 541 LEU HD12 . 50768 1 543 . 1 . 1 415 415 LEU HD13 H 1 1.018 0.000 . 2 . . . . . 541 LEU HD13 . 50768 1 544 . 1 . 1 415 415 LEU HD21 H 1 0.951 0.000 . 2 . . . . . 541 LEU HD21 . 50768 1 545 . 1 . 1 415 415 LEU HD22 H 1 0.951 0.000 . 2 . . . . . 541 LEU HD22 . 50768 1 546 . 1 . 1 415 415 LEU HD23 H 1 0.951 0.000 . 2 . . . . . 541 LEU HD23 . 50768 1 547 . 1 . 1 415 415 LEU CD1 C 13 23.643 0.000 . 2 . . . . . 541 LEU CD1 . 50768 1 548 . 1 . 1 415 415 LEU CD2 C 13 25.375 0.000 . 2 . . . . . 541 LEU CD2 . 50768 1 549 . 1 . 1 417 417 LEU HD11 H 1 0.863 0.000 . 2 . . . . . 543 LEU HD11 . 50768 1 550 . 1 . 1 417 417 LEU HD12 H 1 0.863 0.000 . 2 . . . . . 543 LEU HD12 . 50768 1 551 . 1 . 1 417 417 LEU HD13 H 1 0.863 0.000 . 2 . . . . . 543 LEU HD13 . 50768 1 552 . 1 . 1 417 417 LEU HD21 H 1 0.775 0.000 . 2 . . . . . 543 LEU HD21 . 50768 1 553 . 1 . 1 417 417 LEU HD22 H 1 0.775 0.000 . 2 . . . . . 543 LEU HD22 . 50768 1 554 . 1 . 1 417 417 LEU HD23 H 1 0.775 0.000 . 2 . . . . . 543 LEU HD23 . 50768 1 555 . 1 . 1 417 417 LEU CD1 C 13 24.470 0.000 . 2 . . . . . 543 LEU CD1 . 50768 1 556 . 1 . 1 417 417 LEU CD2 C 13 24.249 0.000 . 2 . . . . . 543 LEU CD2 . 50768 1 557 . 1 . 1 418 418 VAL HG11 H 1 1.097 0.000 . 2 . . . . . 544 VAL HG11 . 50768 1 558 . 1 . 1 418 418 VAL HG12 H 1 1.097 0.000 . 2 . . . . . 544 VAL HG12 . 50768 1 559 . 1 . 1 418 418 VAL HG13 H 1 1.097 0.000 . 2 . . . . . 544 VAL HG13 . 50768 1 560 . 1 . 1 418 418 VAL HG21 H 1 0.784 0.000 . 2 . . . . . 544 VAL HG21 . 50768 1 561 . 1 . 1 418 418 VAL HG22 H 1 0.784 0.000 . 2 . . . . . 544 VAL HG22 . 50768 1 562 . 1 . 1 418 418 VAL HG23 H 1 0.784 0.000 . 2 . . . . . 544 VAL HG23 . 50768 1 563 . 1 . 1 418 418 VAL CG1 C 13 23.357 0.000 . 2 . . . . . 544 VAL CG1 . 50768 1 564 . 1 . 1 418 418 VAL CG2 C 13 21.464 0.000 . 2 . . . . . 544 VAL CG2 . 50768 1 565 . 1 . 1 421 421 LEU HD11 H 1 0.497 0.000 . 2 . . . . . 547 LEU HD11 . 50768 1 566 . 1 . 1 421 421 LEU HD12 H 1 0.497 0.000 . 2 . . . . . 547 LEU HD12 . 50768 1 567 . 1 . 1 421 421 LEU HD13 H 1 0.497 0.000 . 2 . . . . . 547 LEU HD13 . 50768 1 568 . 1 . 1 421 421 LEU HD21 H 1 0.128 0.000 . 2 . . . . . 547 LEU HD21 . 50768 1 569 . 1 . 1 421 421 LEU HD22 H 1 0.128 0.000 . 2 . . . . . 547 LEU HD22 . 50768 1 570 . 1 . 1 421 421 LEU HD23 H 1 0.128 0.000 . 2 . . . . . 547 LEU HD23 . 50768 1 571 . 1 . 1 421 421 LEU CD1 C 13 25.025 0.000 . 2 . . . . . 547 LEU CD1 . 50768 1 572 . 1 . 1 421 421 LEU CD2 C 13 20.995 0.000 . 2 . . . . . 547 LEU CD2 . 50768 1 573 . 1 . 1 424 424 ILE HD11 H 1 0.870 0.000 . 1 . . . . . 550 ILE HD11 . 50768 1 574 . 1 . 1 424 424 ILE HD12 H 1 0.870 0.000 . 1 . . . . . 550 ILE HD12 . 50768 1 575 . 1 . 1 424 424 ILE HD13 H 1 0.870 0.000 . 1 . . . . . 550 ILE HD13 . 50768 1 576 . 1 . 1 424 424 ILE CD1 C 13 12.476 0.000 . 1 . . . . . 550 ILE CD1 . 50768 1 577 . 1 . 1 425 425 LEU HD11 H 1 0.647 0.000 . 2 . . . . . 551 LEU HD11 . 50768 1 578 . 1 . 1 425 425 LEU HD12 H 1 0.647 0.000 . 2 . . . . . 551 LEU HD12 . 50768 1 579 . 1 . 1 425 425 LEU HD13 H 1 0.647 0.000 . 2 . . . . . 551 LEU HD13 . 50768 1 580 . 1 . 1 425 425 LEU HD21 H 1 0.889 0.000 . 2 . . . . . 551 LEU HD21 . 50768 1 581 . 1 . 1 425 425 LEU HD22 H 1 0.889 0.000 . 2 . . . . . 551 LEU HD22 . 50768 1 582 . 1 . 1 425 425 LEU HD23 H 1 0.889 0.000 . 2 . . . . . 551 LEU HD23 . 50768 1 583 . 1 . 1 425 425 LEU CD1 C 13 25.690 0.000 . 2 . . . . . 551 LEU CD1 . 50768 1 584 . 1 . 1 425 425 LEU CD2 C 13 22.651 0.000 . 2 . . . . . 551 LEU CD2 . 50768 1 585 . 1 . 1 432 432 VAL HG11 H 1 0.883 0.000 . 2 . . . . . 558 VAL HG11 . 50768 1 586 . 1 . 1 432 432 VAL HG12 H 1 0.883 0.000 . 2 . . . . . 558 VAL HG12 . 50768 1 587 . 1 . 1 432 432 VAL HG13 H 1 0.883 0.000 . 2 . . . . . 558 VAL HG13 . 50768 1 588 . 1 . 1 432 432 VAL HG21 H 1 0.645 0.000 . 2 . . . . . 558 VAL HG21 . 50768 1 589 . 1 . 1 432 432 VAL HG22 H 1 0.645 0.000 . 2 . . . . . 558 VAL HG22 . 50768 1 590 . 1 . 1 432 432 VAL HG23 H 1 0.645 0.000 . 2 . . . . . 558 VAL HG23 . 50768 1 591 . 1 . 1 432 432 VAL CG1 C 13 21.552 0.000 . 2 . . . . . 558 VAL CG1 . 50768 1 592 . 1 . 1 432 432 VAL CG2 C 13 21.369 0.000 . 2 . . . . . 558 VAL CG2 . 50768 1 593 . 1 . 1 436 436 LEU HD11 H 1 -0.300 0.000 . 2 . . . . . 562 LEU HD11 . 50768 1 594 . 1 . 1 436 436 LEU HD12 H 1 -0.300 0.000 . 2 . . . . . 562 LEU HD12 . 50768 1 595 . 1 . 1 436 436 LEU HD13 H 1 -0.300 0.000 . 2 . . . . . 562 LEU HD13 . 50768 1 596 . 1 . 1 436 436 LEU HD21 H 1 -0.128 0.000 . 2 . . . . . 562 LEU HD21 . 50768 1 597 . 1 . 1 436 436 LEU HD22 H 1 -0.128 0.000 . 2 . . . . . 562 LEU HD22 . 50768 1 598 . 1 . 1 436 436 LEU HD23 H 1 -0.128 0.000 . 2 . . . . . 562 LEU HD23 . 50768 1 599 . 1 . 1 436 436 LEU CD1 C 13 24.412 0.000 . 2 . . . . . 562 LEU CD1 . 50768 1 600 . 1 . 1 436 436 LEU CD2 C 13 22.595 0.000 . 2 . . . . . 562 LEU CD2 . 50768 1 stop_ save_