data_51692 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51692 _Entry.Title ; Sidechain Ile, Leu, and Val methyl Chemical Shift Assignments for Penicillin Binding Protein 5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-11-09 _Entry.Accession_date 2022-11-09 _Entry.Last_release_date 2022-11-09 _Entry.Original_release_date 2022-11-09 _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 Yamanappa Hunashal . . . 0000-0003-0162-1477 51692 2 Wolfgang Peti . . . 0000-0002-8830-6594 51692 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51692 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 182 51692 '1H chemical shifts' 546 51692 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 2 . . 2023-07-21 2022-11-09 update BMRB 'update entry citation' 51692 1 . . 2023-06-27 2022-11-09 original author 'original release' 51692 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51690 'Entered BMRB containing backbone chemical shift of the same protein, i.e. PBP5' 51692 PDB 6mka 'Entered PDB is the crystal structure of the same protein, i.e. PBP5' 51692 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51692 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37460557 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Molecular basis of b-lactam antibiotic resistance of ESKAPE bacterium E. faecium Penicillin Binding Protein PBP5 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature Communications' _Citation.Journal_volume 14 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 4268 _Citation.Page_last 4268 _Citation.Year 2023 _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 Yamanappa Hunashal Y. . . . 51692 1 2 'Ganesan Senthil' Kumar G. S. . . 51692 1 3 Meng Choy M. S. . . 51692 1 4 Everton D'Andrea E. D. . . 51692 1 5 Andre 'Da Silva Santiago' A. . . . 51692 1 6 Marta Schoenle M. V. . . 51692 1 7 Charlene Desbonnet C. . . . 51692 1 8 Michel Arthur M. . . . 51692 1 9 Louis Rice L. B. . . 51692 1 10 Rebecca Page R. . . . 51692 1 11 Wolfgang Peti W. . . . 51692 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51692 _Assembly.ID 1 _Assembly.Name 'Penicillin Binding Protein 5' _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 no _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 'Penicillin Binding Protein 5' 1 $entity_1 . . yes native no no . . . 51692 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51692 _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 ; GHMQETQAVEAGEKTVEQFV QALNKGDYNKAAEMTSKKAA NKSALSEKEILDKYQNIYGA ADVKGLQISNLKVDKKDDST YSFSYKAKMNTSLGELKDLS YKGTLDRNDGQTTINWQPNL VFPEMEGNDKVSLTTQEAAR GNIIDRNGEPLATTGKLKQL GVVPSKLGDGGEKTANIKAI ASSFDLTEDAINQAISQSWV QPDYFVPLKIIDGATPELPA GATIQEVDGRYYPLGEAAAQ LIGYVGDITAEDIDKNPELS SNGKIGRSGLEMAFDKDLRG TTGGKLSITDADGVEKKVLI EHEVQNGKDIKLTIDAKAQK TAFDSLGGKAGSTVATTPKT GDLLALASSPSYDPNKMTNG ISQEDYKAYEENPEQPFISR FATGYAPGSTFKMITAAIGL DNGTIDPNEVLTINGLKWQK DSSWGSYQVTRVSDVSQVDL KTALIYSDNIYTAQETLKMG EKKFRTGLDKFIFGEDLDLP ISMNPAQISNEDSFNSDILL ADTGYGQGELLINPIQQAAM YSVFANNGTLVYPKLIADKE TKDKKNVIGETAVQTIVPDL REVVQDVNGTAHSLSALGIP LAAKTGTAEIKEKQDVKGKE NSFLFAFNPDNQGYMMVSML ENKEDDDSATKRASELLQYL NQNYQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'GHM are cloning artifacts; PBP5 sequence starts at Q (PBP5 residue 37)' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 645 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 70045.36 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 34 GLY . 51692 1 2 35 HIS . 51692 1 3 36 MET . 51692 1 4 37 GLN . 51692 1 5 38 GLU . 51692 1 6 39 THR . 51692 1 7 40 GLN . 51692 1 8 41 ALA . 51692 1 9 42 VAL . 51692 1 10 43 GLU . 51692 1 11 44 ALA . 51692 1 12 45 GLY . 51692 1 13 46 GLU . 51692 1 14 47 LYS . 51692 1 15 48 THR . 51692 1 16 49 VAL . 51692 1 17 50 GLU . 51692 1 18 51 GLN . 51692 1 19 52 PHE . 51692 1 20 53 VAL . 51692 1 21 54 GLN . 51692 1 22 55 ALA . 51692 1 23 56 LEU . 51692 1 24 57 ASN . 51692 1 25 58 LYS . 51692 1 26 59 GLY . 51692 1 27 60 ASP . 51692 1 28 61 TYR . 51692 1 29 62 ASN . 51692 1 30 63 LYS . 51692 1 31 64 ALA . 51692 1 32 65 ALA . 51692 1 33 66 GLU . 51692 1 34 67 MET . 51692 1 35 68 THR . 51692 1 36 69 SER . 51692 1 37 70 LYS . 51692 1 38 71 LYS . 51692 1 39 72 ALA . 51692 1 40 73 ALA . 51692 1 41 74 ASN . 51692 1 42 75 LYS . 51692 1 43 76 SER . 51692 1 44 77 ALA . 51692 1 45 78 LEU . 51692 1 46 79 SER . 51692 1 47 80 GLU . 51692 1 48 81 LYS . 51692 1 49 82 GLU . 51692 1 50 83 ILE . 51692 1 51 84 LEU . 51692 1 52 85 ASP . 51692 1 53 86 LYS . 51692 1 54 87 TYR . 51692 1 55 88 GLN . 51692 1 56 89 ASN . 51692 1 57 90 ILE . 51692 1 58 91 TYR . 51692 1 59 92 GLY . 51692 1 60 93 ALA . 51692 1 61 94 ALA . 51692 1 62 95 ASP . 51692 1 63 96 VAL . 51692 1 64 97 LYS . 51692 1 65 98 GLY . 51692 1 66 99 LEU . 51692 1 67 100 GLN . 51692 1 68 101 ILE . 51692 1 69 102 SER . 51692 1 70 103 ASN . 51692 1 71 104 LEU . 51692 1 72 105 LYS . 51692 1 73 106 VAL . 51692 1 74 107 ASP . 51692 1 75 108 LYS . 51692 1 76 109 LYS . 51692 1 77 110 ASP . 51692 1 78 111 ASP . 51692 1 79 112 SER . 51692 1 80 113 THR . 51692 1 81 114 TYR . 51692 1 82 115 SER . 51692 1 83 116 PHE . 51692 1 84 117 SER . 51692 1 85 118 TYR . 51692 1 86 119 LYS . 51692 1 87 120 ALA . 51692 1 88 121 LYS . 51692 1 89 122 MET . 51692 1 90 123 ASN . 51692 1 91 124 THR . 51692 1 92 125 SER . 51692 1 93 126 LEU . 51692 1 94 127 GLY . 51692 1 95 128 GLU . 51692 1 96 129 LEU . 51692 1 97 130 LYS . 51692 1 98 131 ASP . 51692 1 99 132 LEU . 51692 1 100 133 SER . 51692 1 101 134 TYR . 51692 1 102 135 LYS . 51692 1 103 136 GLY . 51692 1 104 137 THR . 51692 1 105 138 LEU . 51692 1 106 139 ASP . 51692 1 107 140 ARG . 51692 1 108 141 ASN . 51692 1 109 142 ASP . 51692 1 110 143 GLY . 51692 1 111 144 GLN . 51692 1 112 145 THR . 51692 1 113 146 THR . 51692 1 114 147 ILE . 51692 1 115 148 ASN . 51692 1 116 149 TRP . 51692 1 117 150 GLN . 51692 1 118 151 PRO . 51692 1 119 152 ASN . 51692 1 120 153 LEU . 51692 1 121 154 VAL . 51692 1 122 155 PHE . 51692 1 123 156 PRO . 51692 1 124 157 GLU . 51692 1 125 158 MET . 51692 1 126 159 GLU . 51692 1 127 160 GLY . 51692 1 128 161 ASN . 51692 1 129 162 ASP . 51692 1 130 163 LYS . 51692 1 131 164 VAL . 51692 1 132 165 SER . 51692 1 133 166 LEU . 51692 1 134 167 THR . 51692 1 135 168 THR . 51692 1 136 169 GLN . 51692 1 137 170 GLU . 51692 1 138 171 ALA . 51692 1 139 172 ALA . 51692 1 140 173 ARG . 51692 1 141 174 GLY . 51692 1 142 175 ASN . 51692 1 143 176 ILE . 51692 1 144 177 ILE . 51692 1 145 178 ASP . 51692 1 146 179 ARG . 51692 1 147 180 ASN . 51692 1 148 181 GLY . 51692 1 149 182 GLU . 51692 1 150 183 PRO . 51692 1 151 184 LEU . 51692 1 152 185 ALA . 51692 1 153 186 THR . 51692 1 154 187 THR . 51692 1 155 188 GLY . 51692 1 156 189 LYS . 51692 1 157 190 LEU . 51692 1 158 191 LYS . 51692 1 159 192 GLN . 51692 1 160 193 LEU . 51692 1 161 194 GLY . 51692 1 162 195 VAL . 51692 1 163 196 VAL . 51692 1 164 197 PRO . 51692 1 165 198 SER . 51692 1 166 199 LYS . 51692 1 167 200 LEU . 51692 1 168 201 GLY . 51692 1 169 202 ASP . 51692 1 170 203 GLY . 51692 1 171 204 GLY . 51692 1 172 205 GLU . 51692 1 173 206 LYS . 51692 1 174 207 THR . 51692 1 175 208 ALA . 51692 1 176 209 ASN . 51692 1 177 210 ILE . 51692 1 178 211 LYS . 51692 1 179 212 ALA . 51692 1 180 213 ILE . 51692 1 181 214 ALA . 51692 1 182 215 SER . 51692 1 183 216 SER . 51692 1 184 217 PHE . 51692 1 185 218 ASP . 51692 1 186 219 LEU . 51692 1 187 220 THR . 51692 1 188 221 GLU . 51692 1 189 222 ASP . 51692 1 190 223 ALA . 51692 1 191 224 ILE . 51692 1 192 225 ASN . 51692 1 193 226 GLN . 51692 1 194 227 ALA . 51692 1 195 228 ILE . 51692 1 196 229 SER . 51692 1 197 230 GLN . 51692 1 198 231 SER . 51692 1 199 232 TRP . 51692 1 200 233 VAL . 51692 1 201 234 GLN . 51692 1 202 235 PRO . 51692 1 203 236 ASP . 51692 1 204 237 TYR . 51692 1 205 238 PHE . 51692 1 206 239 VAL . 51692 1 207 240 PRO . 51692 1 208 241 LEU . 51692 1 209 242 LYS . 51692 1 210 243 ILE . 51692 1 211 244 ILE . 51692 1 212 245 ASP . 51692 1 213 246 GLY . 51692 1 214 247 ALA . 51692 1 215 248 THR . 51692 1 216 249 PRO . 51692 1 217 250 GLU . 51692 1 218 251 LEU . 51692 1 219 252 PRO . 51692 1 220 253 ALA . 51692 1 221 254 GLY . 51692 1 222 255 ALA . 51692 1 223 256 THR . 51692 1 224 257 ILE . 51692 1 225 258 GLN . 51692 1 226 259 GLU . 51692 1 227 260 VAL . 51692 1 228 261 ASP . 51692 1 229 262 GLY . 51692 1 230 263 ARG . 51692 1 231 264 TYR . 51692 1 232 265 TYR . 51692 1 233 266 PRO . 51692 1 234 267 LEU . 51692 1 235 268 GLY . 51692 1 236 269 GLU . 51692 1 237 270 ALA . 51692 1 238 271 ALA . 51692 1 239 272 ALA . 51692 1 240 273 GLN . 51692 1 241 274 LEU . 51692 1 242 275 ILE . 51692 1 243 276 GLY . 51692 1 244 277 TYR . 51692 1 245 278 VAL . 51692 1 246 279 GLY . 51692 1 247 280 ASP . 51692 1 248 281 ILE . 51692 1 249 282 THR . 51692 1 250 283 ALA . 51692 1 251 284 GLU . 51692 1 252 285 ASP . 51692 1 253 286 ILE . 51692 1 254 287 ASP . 51692 1 255 288 LYS . 51692 1 256 289 ASN . 51692 1 257 290 PRO . 51692 1 258 291 GLU . 51692 1 259 292 LEU . 51692 1 260 293 SER . 51692 1 261 294 SER . 51692 1 262 295 ASN . 51692 1 263 296 GLY . 51692 1 264 297 LYS . 51692 1 265 298 ILE . 51692 1 266 299 GLY . 51692 1 267 300 ARG . 51692 1 268 301 SER . 51692 1 269 302 GLY . 51692 1 270 303 LEU . 51692 1 271 304 GLU . 51692 1 272 305 MET . 51692 1 273 306 ALA . 51692 1 274 307 PHE . 51692 1 275 308 ASP . 51692 1 276 309 LYS . 51692 1 277 310 ASP . 51692 1 278 311 LEU . 51692 1 279 312 ARG . 51692 1 280 313 GLY . 51692 1 281 314 THR . 51692 1 282 315 THR . 51692 1 283 316 GLY . 51692 1 284 317 GLY . 51692 1 285 318 LYS . 51692 1 286 319 LEU . 51692 1 287 320 SER . 51692 1 288 321 ILE . 51692 1 289 322 THR . 51692 1 290 323 ASP . 51692 1 291 324 ALA . 51692 1 292 325 ASP . 51692 1 293 326 GLY . 51692 1 294 327 VAL . 51692 1 295 328 GLU . 51692 1 296 329 LYS . 51692 1 297 330 LYS . 51692 1 298 331 VAL . 51692 1 299 332 LEU . 51692 1 300 333 ILE . 51692 1 301 334 GLU . 51692 1 302 335 HIS . 51692 1 303 336 GLU . 51692 1 304 337 VAL . 51692 1 305 338 GLN . 51692 1 306 339 ASN . 51692 1 307 340 GLY . 51692 1 308 341 LYS . 51692 1 309 342 ASP . 51692 1 310 343 ILE . 51692 1 311 344 LYS . 51692 1 312 345 LEU . 51692 1 313 346 THR . 51692 1 314 347 ILE . 51692 1 315 348 ASP . 51692 1 316 349 ALA . 51692 1 317 350 LYS . 51692 1 318 351 ALA . 51692 1 319 352 GLN . 51692 1 320 353 LYS . 51692 1 321 354 THR . 51692 1 322 355 ALA . 51692 1 323 356 PHE . 51692 1 324 357 ASP . 51692 1 325 358 SER . 51692 1 326 359 LEU . 51692 1 327 360 GLY . 51692 1 328 361 GLY . 51692 1 329 362 LYS . 51692 1 330 363 ALA . 51692 1 331 364 GLY . 51692 1 332 365 SER . 51692 1 333 366 THR . 51692 1 334 367 VAL . 51692 1 335 368 ALA . 51692 1 336 369 THR . 51692 1 337 370 THR . 51692 1 338 371 PRO . 51692 1 339 372 LYS . 51692 1 340 373 THR . 51692 1 341 374 GLY . 51692 1 342 375 ASP . 51692 1 343 376 LEU . 51692 1 344 377 LEU . 51692 1 345 378 ALA . 51692 1 346 379 LEU . 51692 1 347 380 ALA . 51692 1 348 381 SER . 51692 1 349 382 SER . 51692 1 350 383 PRO . 51692 1 351 384 SER . 51692 1 352 385 TYR . 51692 1 353 386 ASP . 51692 1 354 387 PRO . 51692 1 355 388 ASN . 51692 1 356 389 LYS . 51692 1 357 390 MET . 51692 1 358 391 THR . 51692 1 359 392 ASN . 51692 1 360 393 GLY . 51692 1 361 394 ILE . 51692 1 362 395 SER . 51692 1 363 396 GLN . 51692 1 364 397 GLU . 51692 1 365 398 ASP . 51692 1 366 399 TYR . 51692 1 367 400 LYS . 51692 1 368 401 ALA . 51692 1 369 402 TYR . 51692 1 370 403 GLU . 51692 1 371 404 GLU . 51692 1 372 405 ASN . 51692 1 373 406 PRO . 51692 1 374 407 GLU . 51692 1 375 408 GLN . 51692 1 376 409 PRO . 51692 1 377 410 PHE . 51692 1 378 411 ILE . 51692 1 379 412 SER . 51692 1 380 413 ARG . 51692 1 381 414 PHE . 51692 1 382 415 ALA . 51692 1 383 416 THR . 51692 1 384 417 GLY . 51692 1 385 418 TYR . 51692 1 386 419 ALA . 51692 1 387 420 PRO . 51692 1 388 421 GLY . 51692 1 389 422 SER . 51692 1 390 423 THR . 51692 1 391 424 PHE . 51692 1 392 425 LYS . 51692 1 393 426 MET . 51692 1 394 427 ILE . 51692 1 395 428 THR . 51692 1 396 429 ALA . 51692 1 397 430 ALA . 51692 1 398 431 ILE . 51692 1 399 432 GLY . 51692 1 400 433 LEU . 51692 1 401 434 ASP . 51692 1 402 435 ASN . 51692 1 403 436 GLY . 51692 1 404 437 THR . 51692 1 405 438 ILE . 51692 1 406 439 ASP . 51692 1 407 440 PRO . 51692 1 408 441 ASN . 51692 1 409 442 GLU . 51692 1 410 443 VAL . 51692 1 411 444 LEU . 51692 1 412 445 THR . 51692 1 413 446 ILE . 51692 1 414 447 ASN . 51692 1 415 448 GLY . 51692 1 416 449 LEU . 51692 1 417 450 LYS . 51692 1 418 451 TRP . 51692 1 419 452 GLN . 51692 1 420 453 LYS . 51692 1 421 454 ASP . 51692 1 422 455 SER . 51692 1 423 456 SER . 51692 1 424 457 TRP . 51692 1 425 458 GLY . 51692 1 426 459 SER . 51692 1 427 460 TYR . 51692 1 428 461 GLN . 51692 1 429 462 VAL . 51692 1 430 463 THR . 51692 1 431 464 ARG . 51692 1 432 465 VAL . 51692 1 433 466 SER . 51692 1 434 467 ASP . 51692 1 435 468 VAL . 51692 1 436 469 SER . 51692 1 437 470 GLN . 51692 1 438 471 VAL . 51692 1 439 472 ASP . 51692 1 440 473 LEU . 51692 1 441 474 LYS . 51692 1 442 475 THR . 51692 1 443 476 ALA . 51692 1 444 477 LEU . 51692 1 445 478 ILE . 51692 1 446 479 TYR . 51692 1 447 480 SER . 51692 1 448 481 ASP . 51692 1 449 482 ASN . 51692 1 450 483 ILE . 51692 1 451 484 TYR . 51692 1 452 485 THR . 51692 1 453 486 ALA . 51692 1 454 487 GLN . 51692 1 455 488 GLU . 51692 1 456 489 THR . 51692 1 457 490 LEU . 51692 1 458 491 LYS . 51692 1 459 492 MET . 51692 1 460 493 GLY . 51692 1 461 494 GLU . 51692 1 462 495 LYS . 51692 1 463 496 LYS . 51692 1 464 497 PHE . 51692 1 465 498 ARG . 51692 1 466 499 THR . 51692 1 467 500 GLY . 51692 1 468 501 LEU . 51692 1 469 502 ASP . 51692 1 470 503 LYS . 51692 1 471 504 PHE . 51692 1 472 505 ILE . 51692 1 473 506 PHE . 51692 1 474 507 GLY . 51692 1 475 508 GLU . 51692 1 476 509 ASP . 51692 1 477 510 LEU . 51692 1 478 511 ASP . 51692 1 479 512 LEU . 51692 1 480 513 PRO . 51692 1 481 514 ILE . 51692 1 482 515 SER . 51692 1 483 516 MET . 51692 1 484 517 ASN . 51692 1 485 518 PRO . 51692 1 486 519 ALA . 51692 1 487 520 GLN . 51692 1 488 521 ILE . 51692 1 489 522 SER . 51692 1 490 523 ASN . 51692 1 491 524 GLU . 51692 1 492 525 ASP . 51692 1 493 526 SER . 51692 1 494 527 PHE . 51692 1 495 528 ASN . 51692 1 496 529 SER . 51692 1 497 530 ASP . 51692 1 498 531 ILE . 51692 1 499 532 LEU . 51692 1 500 533 LEU . 51692 1 501 534 ALA . 51692 1 502 535 ASP . 51692 1 503 536 THR . 51692 1 504 537 GLY . 51692 1 505 538 TYR . 51692 1 506 539 GLY . 51692 1 507 540 GLN . 51692 1 508 541 GLY . 51692 1 509 542 GLU . 51692 1 510 543 LEU . 51692 1 511 544 LEU . 51692 1 512 545 ILE . 51692 1 513 546 ASN . 51692 1 514 547 PRO . 51692 1 515 548 ILE . 51692 1 516 549 GLN . 51692 1 517 550 GLN . 51692 1 518 551 ALA . 51692 1 519 552 ALA . 51692 1 520 553 MET . 51692 1 521 554 TYR . 51692 1 522 555 SER . 51692 1 523 556 VAL . 51692 1 524 557 PHE . 51692 1 525 558 ALA . 51692 1 526 559 ASN . 51692 1 527 560 ASN . 51692 1 528 561 GLY . 51692 1 529 562 THR . 51692 1 530 563 LEU . 51692 1 531 564 VAL . 51692 1 532 565 TYR . 51692 1 533 566 PRO . 51692 1 534 567 LYS . 51692 1 535 568 LEU . 51692 1 536 569 ILE . 51692 1 537 570 ALA . 51692 1 538 571 ASP . 51692 1 539 572 LYS . 51692 1 540 573 GLU . 51692 1 541 574 THR . 51692 1 542 575 LYS . 51692 1 543 576 ASP . 51692 1 544 577 LYS . 51692 1 545 578 LYS . 51692 1 546 579 ASN . 51692 1 547 580 VAL . 51692 1 548 581 ILE . 51692 1 549 582 GLY . 51692 1 550 583 GLU . 51692 1 551 584 THR . 51692 1 552 585 ALA . 51692 1 553 586 VAL . 51692 1 554 587 GLN . 51692 1 555 588 THR . 51692 1 556 589 ILE . 51692 1 557 590 VAL . 51692 1 558 591 PRO . 51692 1 559 592 ASP . 51692 1 560 593 LEU . 51692 1 561 594 ARG . 51692 1 562 595 GLU . 51692 1 563 596 VAL . 51692 1 564 597 VAL . 51692 1 565 598 GLN . 51692 1 566 599 ASP . 51692 1 567 600 VAL . 51692 1 568 601 ASN . 51692 1 569 602 GLY . 51692 1 570 603 THR . 51692 1 571 604 ALA . 51692 1 572 605 HIS . 51692 1 573 606 SER . 51692 1 574 607 LEU . 51692 1 575 608 SER . 51692 1 576 609 ALA . 51692 1 577 610 LEU . 51692 1 578 611 GLY . 51692 1 579 612 ILE . 51692 1 580 613 PRO . 51692 1 581 614 LEU . 51692 1 582 615 ALA . 51692 1 583 616 ALA . 51692 1 584 617 LYS . 51692 1 585 618 THR . 51692 1 586 619 GLY . 51692 1 587 620 THR . 51692 1 588 621 ALA . 51692 1 589 622 GLU . 51692 1 590 623 ILE . 51692 1 591 624 LYS . 51692 1 592 625 GLU . 51692 1 593 626 LYS . 51692 1 594 627 GLN . 51692 1 595 628 ASP . 51692 1 596 629 VAL . 51692 1 597 630 LYS . 51692 1 598 631 GLY . 51692 1 599 632 LYS . 51692 1 600 633 GLU . 51692 1 601 634 ASN . 51692 1 602 635 SER . 51692 1 603 636 PHE . 51692 1 604 637 LEU . 51692 1 605 638 PHE . 51692 1 606 639 ALA . 51692 1 607 640 PHE . 51692 1 608 641 ASN . 51692 1 609 642 PRO . 51692 1 610 643 ASP . 51692 1 611 644 ASN . 51692 1 612 645 GLN . 51692 1 613 646 GLY . 51692 1 614 647 TYR . 51692 1 615 648 MET . 51692 1 616 649 MET . 51692 1 617 650 VAL . 51692 1 618 651 SER . 51692 1 619 652 MET . 51692 1 620 653 LEU . 51692 1 621 654 GLU . 51692 1 622 655 ASN . 51692 1 623 656 LYS . 51692 1 624 657 GLU . 51692 1 625 658 ASP . 51692 1 626 659 ASP . 51692 1 627 660 ASP . 51692 1 628 661 SER . 51692 1 629 662 ALA . 51692 1 630 663 THR . 51692 1 631 664 LYS . 51692 1 632 665 ARG . 51692 1 633 666 ALA . 51692 1 634 667 SER . 51692 1 635 668 GLU . 51692 1 636 669 LEU . 51692 1 637 670 LEU . 51692 1 638 671 GLN . 51692 1 639 672 TYR . 51692 1 640 673 LEU . 51692 1 641 674 ASN . 51692 1 642 675 GLN . 51692 1 643 676 ASN . 51692 1 644 677 TYR . 51692 1 645 678 GLN . 51692 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 51692 1 . HIS 2 2 51692 1 . MET 3 3 51692 1 . GLN 4 4 51692 1 . GLU 5 5 51692 1 . THR 6 6 51692 1 . GLN 7 7 51692 1 . ALA 8 8 51692 1 . VAL 9 9 51692 1 . GLU 10 10 51692 1 . ALA 11 11 51692 1 . GLY 12 12 51692 1 . GLU 13 13 51692 1 . LYS 14 14 51692 1 . THR 15 15 51692 1 . VAL 16 16 51692 1 . GLU 17 17 51692 1 . GLN 18 18 51692 1 . PHE 19 19 51692 1 . VAL 20 20 51692 1 . GLN 21 21 51692 1 . ALA 22 22 51692 1 . LEU 23 23 51692 1 . ASN 24 24 51692 1 . LYS 25 25 51692 1 . GLY 26 26 51692 1 . ASP 27 27 51692 1 . TYR 28 28 51692 1 . ASN 29 29 51692 1 . LYS 30 30 51692 1 . ALA 31 31 51692 1 . ALA 32 32 51692 1 . GLU 33 33 51692 1 . MET 34 34 51692 1 . THR 35 35 51692 1 . SER 36 36 51692 1 . LYS 37 37 51692 1 . LYS 38 38 51692 1 . ALA 39 39 51692 1 . ALA 40 40 51692 1 . ASN 41 41 51692 1 . LYS 42 42 51692 1 . SER 43 43 51692 1 . ALA 44 44 51692 1 . LEU 45 45 51692 1 . SER 46 46 51692 1 . GLU 47 47 51692 1 . LYS 48 48 51692 1 . GLU 49 49 51692 1 . ILE 50 50 51692 1 . LEU 51 51 51692 1 . ASP 52 52 51692 1 . LYS 53 53 51692 1 . TYR 54 54 51692 1 . GLN 55 55 51692 1 . ASN 56 56 51692 1 . ILE 57 57 51692 1 . TYR 58 58 51692 1 . GLY 59 59 51692 1 . ALA 60 60 51692 1 . ALA 61 61 51692 1 . ASP 62 62 51692 1 . VAL 63 63 51692 1 . LYS 64 64 51692 1 . GLY 65 65 51692 1 . LEU 66 66 51692 1 . GLN 67 67 51692 1 . ILE 68 68 51692 1 . SER 69 69 51692 1 . ASN 70 70 51692 1 . LEU 71 71 51692 1 . LYS 72 72 51692 1 . VAL 73 73 51692 1 . ASP 74 74 51692 1 . LYS 75 75 51692 1 . LYS 76 76 51692 1 . ASP 77 77 51692 1 . ASP 78 78 51692 1 . SER 79 79 51692 1 . THR 80 80 51692 1 . TYR 81 81 51692 1 . SER 82 82 51692 1 . PHE 83 83 51692 1 . SER 84 84 51692 1 . TYR 85 85 51692 1 . LYS 86 86 51692 1 . ALA 87 87 51692 1 . LYS 88 88 51692 1 . MET 89 89 51692 1 . ASN 90 90 51692 1 . THR 91 91 51692 1 . SER 92 92 51692 1 . LEU 93 93 51692 1 . GLY 94 94 51692 1 . GLU 95 95 51692 1 . LEU 96 96 51692 1 . LYS 97 97 51692 1 . ASP 98 98 51692 1 . LEU 99 99 51692 1 . SER 100 100 51692 1 . TYR 101 101 51692 1 . LYS 102 102 51692 1 . GLY 103 103 51692 1 . THR 104 104 51692 1 . LEU 105 105 51692 1 . ASP 106 106 51692 1 . ARG 107 107 51692 1 . ASN 108 108 51692 1 . ASP 109 109 51692 1 . GLY 110 110 51692 1 . GLN 111 111 51692 1 . THR 112 112 51692 1 . THR 113 113 51692 1 . ILE 114 114 51692 1 . ASN 115 115 51692 1 . TRP 116 116 51692 1 . GLN 117 117 51692 1 . PRO 118 118 51692 1 . ASN 119 119 51692 1 . LEU 120 120 51692 1 . VAL 121 121 51692 1 . PHE 122 122 51692 1 . PRO 123 123 51692 1 . GLU 124 124 51692 1 . MET 125 125 51692 1 . GLU 126 126 51692 1 . GLY 127 127 51692 1 . ASN 128 128 51692 1 . ASP 129 129 51692 1 . LYS 130 130 51692 1 . VAL 131 131 51692 1 . SER 132 132 51692 1 . LEU 133 133 51692 1 . THR 134 134 51692 1 . THR 135 135 51692 1 . GLN 136 136 51692 1 . GLU 137 137 51692 1 . ALA 138 138 51692 1 . ALA 139 139 51692 1 . ARG 140 140 51692 1 . GLY 141 141 51692 1 . ASN 142 142 51692 1 . ILE 143 143 51692 1 . ILE 144 144 51692 1 . ASP 145 145 51692 1 . ARG 146 146 51692 1 . ASN 147 147 51692 1 . GLY 148 148 51692 1 . GLU 149 149 51692 1 . PRO 150 150 51692 1 . LEU 151 151 51692 1 . ALA 152 152 51692 1 . THR 153 153 51692 1 . THR 154 154 51692 1 . GLY 155 155 51692 1 . LYS 156 156 51692 1 . LEU 157 157 51692 1 . LYS 158 158 51692 1 . GLN 159 159 51692 1 . LEU 160 160 51692 1 . GLY 161 161 51692 1 . VAL 162 162 51692 1 . VAL 163 163 51692 1 . PRO 164 164 51692 1 . SER 165 165 51692 1 . LYS 166 166 51692 1 . LEU 167 167 51692 1 . GLY 168 168 51692 1 . ASP 169 169 51692 1 . GLY 170 170 51692 1 . GLY 171 171 51692 1 . GLU 172 172 51692 1 . LYS 173 173 51692 1 . THR 174 174 51692 1 . ALA 175 175 51692 1 . ASN 176 176 51692 1 . ILE 177 177 51692 1 . LYS 178 178 51692 1 . ALA 179 179 51692 1 . ILE 180 180 51692 1 . ALA 181 181 51692 1 . SER 182 182 51692 1 . SER 183 183 51692 1 . PHE 184 184 51692 1 . ASP 185 185 51692 1 . LEU 186 186 51692 1 . THR 187 187 51692 1 . GLU 188 188 51692 1 . ASP 189 189 51692 1 . ALA 190 190 51692 1 . ILE 191 191 51692 1 . ASN 192 192 51692 1 . GLN 193 193 51692 1 . ALA 194 194 51692 1 . ILE 195 195 51692 1 . SER 196 196 51692 1 . GLN 197 197 51692 1 . SER 198 198 51692 1 . TRP 199 199 51692 1 . VAL 200 200 51692 1 . GLN 201 201 51692 1 . PRO 202 202 51692 1 . ASP 203 203 51692 1 . TYR 204 204 51692 1 . PHE 205 205 51692 1 . VAL 206 206 51692 1 . PRO 207 207 51692 1 . LEU 208 208 51692 1 . LYS 209 209 51692 1 . ILE 210 210 51692 1 . ILE 211 211 51692 1 . ASP 212 212 51692 1 . GLY 213 213 51692 1 . ALA 214 214 51692 1 . THR 215 215 51692 1 . PRO 216 216 51692 1 . GLU 217 217 51692 1 . LEU 218 218 51692 1 . PRO 219 219 51692 1 . ALA 220 220 51692 1 . GLY 221 221 51692 1 . ALA 222 222 51692 1 . THR 223 223 51692 1 . ILE 224 224 51692 1 . GLN 225 225 51692 1 . GLU 226 226 51692 1 . VAL 227 227 51692 1 . ASP 228 228 51692 1 . GLY 229 229 51692 1 . ARG 230 230 51692 1 . TYR 231 231 51692 1 . TYR 232 232 51692 1 . PRO 233 233 51692 1 . LEU 234 234 51692 1 . GLY 235 235 51692 1 . GLU 236 236 51692 1 . ALA 237 237 51692 1 . ALA 238 238 51692 1 . ALA 239 239 51692 1 . GLN 240 240 51692 1 . LEU 241 241 51692 1 . ILE 242 242 51692 1 . GLY 243 243 51692 1 . TYR 244 244 51692 1 . VAL 245 245 51692 1 . GLY 246 246 51692 1 . ASP 247 247 51692 1 . ILE 248 248 51692 1 . THR 249 249 51692 1 . ALA 250 250 51692 1 . GLU 251 251 51692 1 . ASP 252 252 51692 1 . ILE 253 253 51692 1 . ASP 254 254 51692 1 . LYS 255 255 51692 1 . ASN 256 256 51692 1 . PRO 257 257 51692 1 . GLU 258 258 51692 1 . LEU 259 259 51692 1 . SER 260 260 51692 1 . SER 261 261 51692 1 . ASN 262 262 51692 1 . GLY 263 263 51692 1 . LYS 264 264 51692 1 . ILE 265 265 51692 1 . GLY 266 266 51692 1 . ARG 267 267 51692 1 . SER 268 268 51692 1 . GLY 269 269 51692 1 . LEU 270 270 51692 1 . GLU 271 271 51692 1 . MET 272 272 51692 1 . ALA 273 273 51692 1 . PHE 274 274 51692 1 . ASP 275 275 51692 1 . LYS 276 276 51692 1 . ASP 277 277 51692 1 . LEU 278 278 51692 1 . ARG 279 279 51692 1 . GLY 280 280 51692 1 . THR 281 281 51692 1 . THR 282 282 51692 1 . GLY 283 283 51692 1 . GLY 284 284 51692 1 . LYS 285 285 51692 1 . LEU 286 286 51692 1 . SER 287 287 51692 1 . ILE 288 288 51692 1 . THR 289 289 51692 1 . ASP 290 290 51692 1 . ALA 291 291 51692 1 . ASP 292 292 51692 1 . GLY 293 293 51692 1 . VAL 294 294 51692 1 . GLU 295 295 51692 1 . LYS 296 296 51692 1 . LYS 297 297 51692 1 . VAL 298 298 51692 1 . LEU 299 299 51692 1 . ILE 300 300 51692 1 . GLU 301 301 51692 1 . HIS 302 302 51692 1 . GLU 303 303 51692 1 . VAL 304 304 51692 1 . GLN 305 305 51692 1 . ASN 306 306 51692 1 . GLY 307 307 51692 1 . LYS 308 308 51692 1 . ASP 309 309 51692 1 . ILE 310 310 51692 1 . LYS 311 311 51692 1 . LEU 312 312 51692 1 . THR 313 313 51692 1 . ILE 314 314 51692 1 . ASP 315 315 51692 1 . ALA 316 316 51692 1 . LYS 317 317 51692 1 . ALA 318 318 51692 1 . GLN 319 319 51692 1 . LYS 320 320 51692 1 . THR 321 321 51692 1 . ALA 322 322 51692 1 . PHE 323 323 51692 1 . ASP 324 324 51692 1 . SER 325 325 51692 1 . LEU 326 326 51692 1 . GLY 327 327 51692 1 . GLY 328 328 51692 1 . LYS 329 329 51692 1 . ALA 330 330 51692 1 . GLY 331 331 51692 1 . SER 332 332 51692 1 . THR 333 333 51692 1 . VAL 334 334 51692 1 . ALA 335 335 51692 1 . THR 336 336 51692 1 . THR 337 337 51692 1 . PRO 338 338 51692 1 . LYS 339 339 51692 1 . THR 340 340 51692 1 . GLY 341 341 51692 1 . ASP 342 342 51692 1 . LEU 343 343 51692 1 . LEU 344 344 51692 1 . ALA 345 345 51692 1 . LEU 346 346 51692 1 . ALA 347 347 51692 1 . SER 348 348 51692 1 . SER 349 349 51692 1 . PRO 350 350 51692 1 . SER 351 351 51692 1 . TYR 352 352 51692 1 . ASP 353 353 51692 1 . PRO 354 354 51692 1 . ASN 355 355 51692 1 . LYS 356 356 51692 1 . MET 357 357 51692 1 . THR 358 358 51692 1 . ASN 359 359 51692 1 . GLY 360 360 51692 1 . ILE 361 361 51692 1 . SER 362 362 51692 1 . GLN 363 363 51692 1 . GLU 364 364 51692 1 . ASP 365 365 51692 1 . TYR 366 366 51692 1 . LYS 367 367 51692 1 . ALA 368 368 51692 1 . TYR 369 369 51692 1 . GLU 370 370 51692 1 . GLU 371 371 51692 1 . ASN 372 372 51692 1 . PRO 373 373 51692 1 . GLU 374 374 51692 1 . GLN 375 375 51692 1 . PRO 376 376 51692 1 . PHE 377 377 51692 1 . ILE 378 378 51692 1 . SER 379 379 51692 1 . ARG 380 380 51692 1 . PHE 381 381 51692 1 . ALA 382 382 51692 1 . THR 383 383 51692 1 . GLY 384 384 51692 1 . TYR 385 385 51692 1 . ALA 386 386 51692 1 . PRO 387 387 51692 1 . GLY 388 388 51692 1 . SER 389 389 51692 1 . THR 390 390 51692 1 . PHE 391 391 51692 1 . LYS 392 392 51692 1 . MET 393 393 51692 1 . ILE 394 394 51692 1 . THR 395 395 51692 1 . ALA 396 396 51692 1 . ALA 397 397 51692 1 . ILE 398 398 51692 1 . GLY 399 399 51692 1 . LEU 400 400 51692 1 . ASP 401 401 51692 1 . ASN 402 402 51692 1 . GLY 403 403 51692 1 . THR 404 404 51692 1 . ILE 405 405 51692 1 . ASP 406 406 51692 1 . PRO 407 407 51692 1 . ASN 408 408 51692 1 . GLU 409 409 51692 1 . VAL 410 410 51692 1 . LEU 411 411 51692 1 . THR 412 412 51692 1 . ILE 413 413 51692 1 . ASN 414 414 51692 1 . GLY 415 415 51692 1 . LEU 416 416 51692 1 . LYS 417 417 51692 1 . TRP 418 418 51692 1 . GLN 419 419 51692 1 . LYS 420 420 51692 1 . ASP 421 421 51692 1 . SER 422 422 51692 1 . SER 423 423 51692 1 . TRP 424 424 51692 1 . GLY 425 425 51692 1 . SER 426 426 51692 1 . TYR 427 427 51692 1 . GLN 428 428 51692 1 . VAL 429 429 51692 1 . THR 430 430 51692 1 . ARG 431 431 51692 1 . VAL 432 432 51692 1 . SER 433 433 51692 1 . ASP 434 434 51692 1 . VAL 435 435 51692 1 . SER 436 436 51692 1 . GLN 437 437 51692 1 . VAL 438 438 51692 1 . ASP 439 439 51692 1 . LEU 440 440 51692 1 . LYS 441 441 51692 1 . THR 442 442 51692 1 . ALA 443 443 51692 1 . LEU 444 444 51692 1 . ILE 445 445 51692 1 . TYR 446 446 51692 1 . SER 447 447 51692 1 . ASP 448 448 51692 1 . ASN 449 449 51692 1 . ILE 450 450 51692 1 . TYR 451 451 51692 1 . THR 452 452 51692 1 . ALA 453 453 51692 1 . GLN 454 454 51692 1 . GLU 455 455 51692 1 . THR 456 456 51692 1 . LEU 457 457 51692 1 . LYS 458 458 51692 1 . MET 459 459 51692 1 . GLY 460 460 51692 1 . GLU 461 461 51692 1 . LYS 462 462 51692 1 . LYS 463 463 51692 1 . PHE 464 464 51692 1 . ARG 465 465 51692 1 . THR 466 466 51692 1 . GLY 467 467 51692 1 . LEU 468 468 51692 1 . ASP 469 469 51692 1 . LYS 470 470 51692 1 . PHE 471 471 51692 1 . ILE 472 472 51692 1 . PHE 473 473 51692 1 . GLY 474 474 51692 1 . GLU 475 475 51692 1 . ASP 476 476 51692 1 . LEU 477 477 51692 1 . ASP 478 478 51692 1 . LEU 479 479 51692 1 . PRO 480 480 51692 1 . ILE 481 481 51692 1 . SER 482 482 51692 1 . MET 483 483 51692 1 . ASN 484 484 51692 1 . PRO 485 485 51692 1 . ALA 486 486 51692 1 . GLN 487 487 51692 1 . ILE 488 488 51692 1 . SER 489 489 51692 1 . ASN 490 490 51692 1 . GLU 491 491 51692 1 . ASP 492 492 51692 1 . SER 493 493 51692 1 . PHE 494 494 51692 1 . ASN 495 495 51692 1 . SER 496 496 51692 1 . ASP 497 497 51692 1 . ILE 498 498 51692 1 . LEU 499 499 51692 1 . LEU 500 500 51692 1 . ALA 501 501 51692 1 . ASP 502 502 51692 1 . THR 503 503 51692 1 . GLY 504 504 51692 1 . TYR 505 505 51692 1 . GLY 506 506 51692 1 . GLN 507 507 51692 1 . GLY 508 508 51692 1 . GLU 509 509 51692 1 . LEU 510 510 51692 1 . LEU 511 511 51692 1 . ILE 512 512 51692 1 . ASN 513 513 51692 1 . PRO 514 514 51692 1 . ILE 515 515 51692 1 . GLN 516 516 51692 1 . GLN 517 517 51692 1 . ALA 518 518 51692 1 . ALA 519 519 51692 1 . MET 520 520 51692 1 . TYR 521 521 51692 1 . SER 522 522 51692 1 . VAL 523 523 51692 1 . PHE 524 524 51692 1 . ALA 525 525 51692 1 . ASN 526 526 51692 1 . ASN 527 527 51692 1 . GLY 528 528 51692 1 . THR 529 529 51692 1 . LEU 530 530 51692 1 . VAL 531 531 51692 1 . TYR 532 532 51692 1 . PRO 533 533 51692 1 . LYS 534 534 51692 1 . LEU 535 535 51692 1 . ILE 536 536 51692 1 . ALA 537 537 51692 1 . ASP 538 538 51692 1 . LYS 539 539 51692 1 . GLU 540 540 51692 1 . THR 541 541 51692 1 . LYS 542 542 51692 1 . ASP 543 543 51692 1 . LYS 544 544 51692 1 . LYS 545 545 51692 1 . ASN 546 546 51692 1 . VAL 547 547 51692 1 . ILE 548 548 51692 1 . GLY 549 549 51692 1 . GLU 550 550 51692 1 . THR 551 551 51692 1 . ALA 552 552 51692 1 . VAL 553 553 51692 1 . GLN 554 554 51692 1 . THR 555 555 51692 1 . ILE 556 556 51692 1 . VAL 557 557 51692 1 . PRO 558 558 51692 1 . ASP 559 559 51692 1 . LEU 560 560 51692 1 . ARG 561 561 51692 1 . GLU 562 562 51692 1 . VAL 563 563 51692 1 . VAL 564 564 51692 1 . GLN 565 565 51692 1 . ASP 566 566 51692 1 . VAL 567 567 51692 1 . ASN 568 568 51692 1 . GLY 569 569 51692 1 . THR 570 570 51692 1 . ALA 571 571 51692 1 . HIS 572 572 51692 1 . SER 573 573 51692 1 . LEU 574 574 51692 1 . SER 575 575 51692 1 . ALA 576 576 51692 1 . LEU 577 577 51692 1 . GLY 578 578 51692 1 . ILE 579 579 51692 1 . PRO 580 580 51692 1 . LEU 581 581 51692 1 . ALA 582 582 51692 1 . ALA 583 583 51692 1 . LYS 584 584 51692 1 . THR 585 585 51692 1 . GLY 586 586 51692 1 . THR 587 587 51692 1 . ALA 588 588 51692 1 . GLU 589 589 51692 1 . ILE 590 590 51692 1 . LYS 591 591 51692 1 . GLU 592 592 51692 1 . LYS 593 593 51692 1 . GLN 594 594 51692 1 . ASP 595 595 51692 1 . VAL 596 596 51692 1 . LYS 597 597 51692 1 . GLY 598 598 51692 1 . LYS 599 599 51692 1 . GLU 600 600 51692 1 . ASN 601 601 51692 1 . SER 602 602 51692 1 . PHE 603 603 51692 1 . LEU 604 604 51692 1 . PHE 605 605 51692 1 . ALA 606 606 51692 1 . PHE 607 607 51692 1 . ASN 608 608 51692 1 . PRO 609 609 51692 1 . ASP 610 610 51692 1 . ASN 611 611 51692 1 . GLN 612 612 51692 1 . GLY 613 613 51692 1 . TYR 614 614 51692 1 . MET 615 615 51692 1 . MET 616 616 51692 1 . VAL 617 617 51692 1 . SER 618 618 51692 1 . MET 619 619 51692 1 . LEU 620 620 51692 1 . GLU 621 621 51692 1 . ASN 622 622 51692 1 . LYS 623 623 51692 1 . GLU 624 624 51692 1 . ASP 625 625 51692 1 . ASP 626 626 51692 1 . ASP 627 627 51692 1 . SER 628 628 51692 1 . ALA 629 629 51692 1 . THR 630 630 51692 1 . LYS 631 631 51692 1 . ARG 632 632 51692 1 . ALA 633 633 51692 1 . SER 634 634 51692 1 . GLU 635 635 51692 1 . LEU 636 636 51692 1 . LEU 637 637 51692 1 . GLN 638 638 51692 1 . TYR 639 639 51692 1 . LEU 640 640 51692 1 . ASN 641 641 51692 1 . GLN 642 642 51692 1 . ASN 643 643 51692 1 . TYR 644 644 51692 1 . GLN 645 645 51692 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 51692 _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 . 1352 organism . 'Enterococcus faecium' 'Enterococcus faecium' . . Bacteria . Enterococcus faecium . . . . . . . . . . . . . 51692 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 51692 _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 (DE3)' . . plasmid . . pRP1b . . . 51692 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51692 _Sample.ID 1 _Sample.Name 'Penicillin Binding Protein 5' _Sample.Type solution _Sample.Sub_type . _Sample.Details '1mM PBP5, 10 mM MES, pH 5.8, 25 mM NaCl; 308 K; 800 MHz' _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 'Penicillin Binding Protein-5' '[U- 99% 2H; U- 99% 15N]' . . 1 $entity_1 . . 200 . . uM . . . . 51692 1 2 'Penicillin Binding Protein-5' '[U-15N; U-2H; 1HD-Ile,Leu; 1HG-Val; 13CD-Ile,Leu; 13CG-Val ]' . . 1 $entity_1 . . 1000 . . uM . . . . 51692 1 3 MES 'natural abundance' . . . . . . 10 . . mM . . . . 51692 1 4 NaCl 'natural abundance' . . . . . . 25 . . mM . . . . 51692 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 51692 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Penicillin Binding Protein 5_conditions' _Sample_condition_list.Details '1mM PBP5, 10 mM MES, pH 5.8, 25 mM NaCl; 308 K; 800 MHz' 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' 25 . mM 51692 1 pH 5.8 . pH 51692 1 pressure 1 . atm 51692 1 temperature 308 . K 51692 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51692 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51692 1 processing . 51692 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51692 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51692 2 'data analysis' . 51692 2 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 51692 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _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 51692 _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 . . . . . . . . . . . . . . . . . 51692 1 2 '3D 1H-15N NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51692 1 3 '3D (13C) HSQC-NOESY-(15N) HMQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51692 1 4 '3D (1H-13C) HMQC- (1H-1H) NOESY-(1H-13C) HMQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51692 1 5 '3D (1H-1H) NOESY-13C HMQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51692 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 51692 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Chem_shift_reference _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 external indirect 0.2514495 . . . . . 51692 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 51692 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 51692 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name PBP5_37-678 _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' . . . 51692 1 2 '3D 1H-15N NOESY' . . . 51692 1 3 '3D (13C) HSQC-NOESY-(15N) HMQC' . . . 51692 1 4 '3D (1H-13C) HMQC- (1H-1H) NOESY-(1H-13C) HMQC' . . . 51692 1 5 '3D (1H-1H) NOESY-13C HMQC' . . . 51692 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 . . 51692 1 2 $software_2 . . 51692 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 0.878 0.02 . 1 . . . . . 42 VAL HG1 . 51692 1 2 . 1 . 1 9 9 VAL HG12 H 1 0.878 0.02 . 1 . . . . . 42 VAL HG1 . 51692 1 3 . 1 . 1 9 9 VAL HG13 H 1 0.878 0.02 . 1 . . . . . 42 VAL HG1 . 51692 1 4 . 1 . 1 9 9 VAL HG21 H 1 0.855 0.02 . 1 . . . . . 42 VAL HG2 . 51692 1 5 . 1 . 1 9 9 VAL HG22 H 1 0.855 0.02 . 1 . . . . . 42 VAL HG2 . 51692 1 6 . 1 . 1 9 9 VAL HG23 H 1 0.855 0.02 . 1 . . . . . 42 VAL HG2 . 51692 1 7 . 1 . 1 9 9 VAL CG1 C 13 18.616 0.3 . 1 . . . . . 42 VAL CG1 . 51692 1 8 . 1 . 1 9 9 VAL CG2 C 13 19.178 0.3 . 1 . . . . . 42 VAL CG2 . 51692 1 9 . 1 . 1 16 16 VAL HG11 H 1 0.352 0.02 . 1 . . . . . 49 VAL HG1 . 51692 1 10 . 1 . 1 16 16 VAL HG12 H 1 0.352 0.02 . 1 . . . . . 49 VAL HG1 . 51692 1 11 . 1 . 1 16 16 VAL HG13 H 1 0.352 0.02 . 1 . . . . . 49 VAL HG1 . 51692 1 12 . 1 . 1 16 16 VAL HG21 H 1 0.169 0.02 . 1 . . . . . 49 VAL HG2 . 51692 1 13 . 1 . 1 16 16 VAL HG22 H 1 0.169 0.02 . 1 . . . . . 49 VAL HG2 . 51692 1 14 . 1 . 1 16 16 VAL HG23 H 1 0.169 0.02 . 1 . . . . . 49 VAL HG2 . 51692 1 15 . 1 . 1 16 16 VAL CG1 C 13 19.601 0.3 . 1 . . . . . 49 VAL CG1 . 51692 1 16 . 1 . 1 16 16 VAL CG2 C 13 19.271 0.3 . 1 . . . . . 49 VAL CG2 . 51692 1 17 . 1 . 1 20 20 VAL HG11 H 1 0.987 0.02 . 1 . . . . . 53 VAL HG1 . 51692 1 18 . 1 . 1 20 20 VAL HG12 H 1 0.987 0.02 . 1 . . . . . 53 VAL HG1 . 51692 1 19 . 1 . 1 20 20 VAL HG13 H 1 0.987 0.02 . 1 . . . . . 53 VAL HG1 . 51692 1 20 . 1 . 1 20 20 VAL HG21 H 1 1.157 0.02 . 1 . . . . . 53 VAL HG2 . 51692 1 21 . 1 . 1 20 20 VAL HG22 H 1 1.157 0.02 . 1 . . . . . 53 VAL HG2 . 51692 1 22 . 1 . 1 20 20 VAL HG23 H 1 1.157 0.02 . 1 . . . . . 53 VAL HG2 . 51692 1 23 . 1 . 1 20 20 VAL CG1 C 13 18.176 0.3 . 1 . . . . . 53 VAL CG1 . 51692 1 24 . 1 . 1 20 20 VAL CG2 C 13 20.012 0.3 . 1 . . . . . 53 VAL CG2 . 51692 1 25 . 1 . 1 23 23 LEU HD11 H 1 0.232 0.02 . 1 . . . . . 56 LEU HD1 . 51692 1 26 . 1 . 1 23 23 LEU HD12 H 1 0.232 0.02 . 1 . . . . . 56 LEU HD1 . 51692 1 27 . 1 . 1 23 23 LEU HD13 H 1 0.232 0.02 . 1 . . . . . 56 LEU HD1 . 51692 1 28 . 1 . 1 23 23 LEU HD21 H 1 -0.409 0.02 . 1 . . . . . 56 LEU HD2 . 51692 1 29 . 1 . 1 23 23 LEU HD22 H 1 -0.409 0.02 . 1 . . . . . 56 LEU HD2 . 51692 1 30 . 1 . 1 23 23 LEU HD23 H 1 -0.409 0.02 . 1 . . . . . 56 LEU HD2 . 51692 1 31 . 1 . 1 23 23 LEU CD1 C 13 23.225 0.3 . 1 . . . . . 56 LEU CD1 . 51692 1 32 . 1 . 1 23 23 LEU CD2 C 13 18.345 0.3 . 1 . . . . . 56 LEU CD2 . 51692 1 33 . 1 . 1 50 50 ILE HD11 H 1 0.448 0.02 . 1 . . . . . 83 ILE HD1 . 51692 1 34 . 1 . 1 50 50 ILE HD12 H 1 0.448 0.02 . 1 . . . . . 83 ILE HD1 . 51692 1 35 . 1 . 1 50 50 ILE HD13 H 1 0.448 0.02 . 1 . . . . . 83 ILE HD1 . 51692 1 36 . 1 . 1 50 50 ILE CD1 C 13 11.567 0.3 . 1 . . . . . 83 ILE CD1 . 51692 1 37 . 1 . 1 51 51 LEU HD11 H 1 0.99 0.02 . 1 . . . . . 84 LEU HD1 . 51692 1 38 . 1 . 1 51 51 LEU HD12 H 1 0.99 0.02 . 1 . . . . . 84 LEU HD1 . 51692 1 39 . 1 . 1 51 51 LEU HD13 H 1 0.99 0.02 . 1 . . . . . 84 LEU HD1 . 51692 1 40 . 1 . 1 51 51 LEU HD21 H 1 0.914 0.02 . 1 . . . . . 84 LEU HD2 . 51692 1 41 . 1 . 1 51 51 LEU HD22 H 1 0.914 0.02 . 1 . . . . . 84 LEU HD2 . 51692 1 42 . 1 . 1 51 51 LEU HD23 H 1 0.914 0.02 . 1 . . . . . 84 LEU HD2 . 51692 1 43 . 1 . 1 51 51 LEU CD1 C 13 19.889 0.3 . 1 . . . . . 84 LEU CD1 . 51692 1 44 . 1 . 1 51 51 LEU CD2 C 13 22.65 0.3 . 1 . . . . . 84 LEU CD2 . 51692 1 45 . 1 . 1 57 57 ILE HD11 H 1 0.829 0.02 . 1 . . . . . 90 ILE HD1 . 51692 1 46 . 1 . 1 57 57 ILE HD12 H 1 0.829 0.02 . 1 . . . . . 90 ILE HD1 . 51692 1 47 . 1 . 1 57 57 ILE HD13 H 1 0.829 0.02 . 1 . . . . . 90 ILE HD1 . 51692 1 48 . 1 . 1 57 57 ILE CD1 C 13 11.105 0.3 . 1 . . . . . 90 ILE CD1 . 51692 1 49 . 1 . 1 63 63 VAL HG11 H 1 0.779 0.02 . 1 . . . . . 96 VAL HG1 . 51692 1 50 . 1 . 1 63 63 VAL HG12 H 1 0.779 0.02 . 1 . . . . . 96 VAL HG1 . 51692 1 51 . 1 . 1 63 63 VAL HG13 H 1 0.779 0.02 . 1 . . . . . 96 VAL HG1 . 51692 1 52 . 1 . 1 63 63 VAL CG1 C 13 20.266 0.3 . 1 . . . . . 96 VAL CG1 . 51692 1 53 . 1 . 1 66 66 LEU HD11 H 1 1.007 0.02 . 1 . . . . . 99 LEU HD1 . 51692 1 54 . 1 . 1 66 66 LEU HD12 H 1 1.007 0.02 . 1 . . . . . 99 LEU HD1 . 51692 1 55 . 1 . 1 66 66 LEU HD13 H 1 1.007 0.02 . 1 . . . . . 99 LEU HD1 . 51692 1 56 . 1 . 1 66 66 LEU CD1 C 13 24.766 0.03 . 1 . . . . . 99 LEU CD1 . 51692 1 57 . 1 . 1 68 68 ILE HD11 H 1 0.711 0.02 . 1 . . . . . 101 ILE HD1 . 51692 1 58 . 1 . 1 68 68 ILE HD12 H 1 0.711 0.02 . 1 . . . . . 101 ILE HD1 . 51692 1 59 . 1 . 1 68 68 ILE HD13 H 1 0.711 0.02 . 1 . . . . . 101 ILE HD1 . 51692 1 60 . 1 . 1 68 68 ILE CD1 C 13 11.484 0.3 . 1 . . . . . 101 ILE CD1 . 51692 1 61 . 1 . 1 71 71 LEU HD11 H 1 0.88 0.02 . 1 . . . . . 104 LEU HD1 . 51692 1 62 . 1 . 1 71 71 LEU HD12 H 1 0.88 0.02 . 1 . . . . . 104 LEU HD1 . 51692 1 63 . 1 . 1 71 71 LEU HD13 H 1 0.88 0.02 . 1 . . . . . 104 LEU HD1 . 51692 1 64 . 1 . 1 71 71 LEU HD21 H 1 0.9 0.02 . 1 . . . . . 104 LEU HD2 . 51692 1 65 . 1 . 1 71 71 LEU HD22 H 1 0.9 0.02 . 1 . . . . . 104 LEU HD2 . 51692 1 66 . 1 . 1 71 71 LEU HD23 H 1 0.9 0.02 . 1 . . . . . 104 LEU HD2 . 51692 1 67 . 1 . 1 71 71 LEU CD1 C 13 23.897 0.3 . 1 . . . . . 104 LEU CD1 . 51692 1 68 . 1 . 1 71 71 LEU CD2 C 13 21.041 0.3 . 1 . . . . . 104 LEU CD2 . 51692 1 69 . 1 . 1 73 73 VAL HG11 H 1 1.06 0.02 . 1 . . . . . 106 VAL HG1 . 51692 1 70 . 1 . 1 73 73 VAL HG12 H 1 1.06 0.02 . 1 . . . . . 106 VAL HG1 . 51692 1 71 . 1 . 1 73 73 VAL HG13 H 1 1.06 0.02 . 1 . . . . . 106 VAL HG1 . 51692 1 72 . 1 . 1 73 73 VAL CG1 C 13 19.377 0.3 . 1 . . . . . 106 VAL CG1 . 51692 1 73 . 1 . 1 93 93 LEU HD11 H 1 0.653 0.02 . 1 . . . . . 126 LEU HD1 . 51692 1 74 . 1 . 1 93 93 LEU HD12 H 1 0.653 0.02 . 1 . . . . . 126 LEU HD1 . 51692 1 75 . 1 . 1 93 93 LEU HD13 H 1 0.653 0.02 . 1 . . . . . 126 LEU HD1 . 51692 1 76 . 1 . 1 93 93 LEU CD1 C 13 21.603 0.3 . 1 . . . . . 126 LEU CD1 . 51692 1 77 . 1 . 1 96 96 LEU HD11 H 1 0.769 0.02 . 1 . . . . . 129 LEU HD1 . 51692 1 78 . 1 . 1 96 96 LEU HD12 H 1 0.769 0.02 . 1 . . . . . 129 LEU HD1 . 51692 1 79 . 1 . 1 96 96 LEU HD13 H 1 0.769 0.02 . 1 . . . . . 129 LEU HD1 . 51692 1 80 . 1 . 1 96 96 LEU HD21 H 1 0.885 0.02 . 1 . . . . . 129 LEU HD2 . 51692 1 81 . 1 . 1 96 96 LEU HD22 H 1 0.885 0.02 . 1 . . . . . 129 LEU HD2 . 51692 1 82 . 1 . 1 96 96 LEU HD23 H 1 0.885 0.02 . 1 . . . . . 129 LEU HD2 . 51692 1 83 . 1 . 1 96 96 LEU CD1 C 13 23.739 0.3 . 1 . . . . . 129 LEU CD1 . 51692 1 84 . 1 . 1 96 96 LEU CD2 C 13 22.897 0.02 . 1 . . . . . 129 LEU CD2 . 51692 1 85 . 1 . 1 105 105 LEU HD11 H 1 1.122 0.02 . 1 . . . . . 138 LEU HD1 . 51692 1 86 . 1 . 1 105 105 LEU HD12 H 1 1.122 0.02 . 1 . . . . . 138 LEU HD1 . 51692 1 87 . 1 . 1 105 105 LEU HD13 H 1 1.122 0.02 . 1 . . . . . 138 LEU HD1 . 51692 1 88 . 1 . 1 105 105 LEU HD21 H 1 0.628 0.02 . 1 . . . . . 138 LEU HD2 . 51692 1 89 . 1 . 1 105 105 LEU HD22 H 1 0.628 0.02 . 1 . . . . . 138 LEU HD2 . 51692 1 90 . 1 . 1 105 105 LEU HD23 H 1 0.628 0.02 . 1 . . . . . 138 LEU HD2 . 51692 1 91 . 1 . 1 105 105 LEU CD1 C 13 23.852 0.3 . 1 . . . . . 138 LEU CD1 . 51692 1 92 . 1 . 1 105 105 LEU CD2 C 13 23.291 0.3 . 1 . . . . . 138 LEU CD2 . 51692 1 93 . 1 . 1 114 114 ILE HD11 H 1 -0.01 0.02 . 1 . . . . . 147 ILE HD1 . 51692 1 94 . 1 . 1 114 114 ILE HD12 H 1 -0.01 0.02 . 1 . . . . . 147 ILE HD1 . 51692 1 95 . 1 . 1 114 114 ILE HD13 H 1 -0.01 0.02 . 1 . . . . . 147 ILE HD1 . 51692 1 96 . 1 . 1 114 114 ILE CD1 C 13 9.866 0.3 . 1 . . . . . 147 ILE CD1 . 51692 1 97 . 1 . 1 121 121 VAL HG11 H 1 0.83 0.02 . 1 . . . . . 154 VAL HG1 . 51692 1 98 . 1 . 1 121 121 VAL HG12 H 1 0.83 0.02 . 1 . . . . . 154 VAL HG1 . 51692 1 99 . 1 . 1 121 121 VAL HG13 H 1 0.83 0.02 . 1 . . . . . 154 VAL HG1 . 51692 1 100 . 1 . 1 121 121 VAL CG1 C 13 20.282 0.3 . 1 . . . . . 154 VAL CG1 . 51692 1 101 . 1 . 1 131 131 VAL HG11 H 1 0.888 0.02 . 1 . . . . . 164 VAL HG1 . 51692 1 102 . 1 . 1 131 131 VAL HG12 H 1 0.888 0.02 . 1 . . . . . 164 VAL HG1 . 51692 1 103 . 1 . 1 131 131 VAL HG13 H 1 0.888 0.02 . 1 . . . . . 164 VAL HG1 . 51692 1 104 . 1 . 1 131 131 VAL HG21 H 1 0.918 0.02 . 1 . . . . . 164 VAL HG2 . 51692 1 105 . 1 . 1 131 131 VAL HG22 H 1 0.918 0.02 . 1 . . . . . 164 VAL HG2 . 51692 1 106 . 1 . 1 131 131 VAL HG23 H 1 0.918 0.02 . 1 . . . . . 164 VAL HG2 . 51692 1 107 . 1 . 1 131 131 VAL CG1 C 13 19.086 0.3 . 1 . . . . . 164 VAL CG1 . 51692 1 108 . 1 . 1 131 131 VAL CG2 C 13 20.069 0.3 . 1 . . . . . 164 VAL CG2 . 51692 1 109 . 1 . 1 133 133 LEU HD11 H 1 0.831 0.02 . 1 . . . . . 166 LEU HD1 . 51692 1 110 . 1 . 1 133 133 LEU HD12 H 1 0.831 0.02 . 1 . . . . . 166 LEU HD1 . 51692 1 111 . 1 . 1 133 133 LEU HD13 H 1 0.831 0.02 . 1 . . . . . 166 LEU HD1 . 51692 1 112 . 1 . 1 133 133 LEU HD21 H 1 0.829 0.02 . 1 . . . . . 166 LEU HD2 . 51692 1 113 . 1 . 1 133 133 LEU HD22 H 1 0.829 0.02 . 1 . . . . . 166 LEU HD2 . 51692 1 114 . 1 . 1 133 133 LEU HD23 H 1 0.829 0.02 . 1 . . . . . 166 LEU HD2 . 51692 1 115 . 1 . 1 133 133 LEU CD1 C 13 21.263 0.3 . 1 . . . . . 166 LEU CD1 . 51692 1 116 . 1 . 1 133 133 LEU CD2 C 13 23.515 0.3 . 1 . . . . . 166 LEU CD2 . 51692 1 117 . 1 . 1 143 143 ILE HD11 H 1 0.836 0.02 . 1 . . . . . 176 ILE HD1 . 51692 1 118 . 1 . 1 143 143 ILE HD12 H 1 0.836 0.02 . 1 . . . . . 176 ILE HD1 . 51692 1 119 . 1 . 1 143 143 ILE HD13 H 1 0.836 0.02 . 1 . . . . . 176 ILE HD1 . 51692 1 120 . 1 . 1 143 143 ILE CD1 C 13 10.073 0.3 . 1 . . . . . 176 ILE CD1 . 51692 1 121 . 1 . 1 144 144 ILE HD11 H 1 0.819 0.02 . 1 . . . . . 177 ILE HD1 . 51692 1 122 . 1 . 1 144 144 ILE HD12 H 1 0.819 0.02 . 1 . . . . . 177 ILE HD1 . 51692 1 123 . 1 . 1 144 144 ILE HD13 H 1 0.819 0.02 . 1 . . . . . 177 ILE HD1 . 51692 1 124 . 1 . 1 144 144 ILE CD1 C 13 10.398 0.3 . 1 . . . . . 177 ILE CD1 . 51692 1 125 . 1 . 1 151 151 LEU HD11 H 1 0.821 0.02 . 1 . . . . . 184 LEU HD1 . 51692 1 126 . 1 . 1 151 151 LEU HD12 H 1 0.821 0.02 . 1 . . . . . 184 LEU HD1 . 51692 1 127 . 1 . 1 151 151 LEU HD13 H 1 0.821 0.02 . 1 . . . . . 184 LEU HD1 . 51692 1 128 . 1 . 1 151 151 LEU CD1 C 13 21.645 0.3 . 1 . . . . . 184 LEU CD1 . 51692 1 129 . 1 . 1 157 157 LEU HD11 H 1 0.669 0.02 . 1 . . . . . 190 LEU HD1 . 51692 1 130 . 1 . 1 157 157 LEU HD12 H 1 0.669 0.02 . 1 . . . . . 190 LEU HD1 . 51692 1 131 . 1 . 1 157 157 LEU HD13 H 1 0.669 0.02 . 1 . . . . . 190 LEU HD1 . 51692 1 132 . 1 . 1 157 157 LEU HD21 H 1 0.623 0.02 . 1 . . . . . 190 LEU HD2 . 51692 1 133 . 1 . 1 157 157 LEU HD22 H 1 0.623 0.02 . 1 . . . . . 190 LEU HD2 . 51692 1 134 . 1 . 1 157 157 LEU HD23 H 1 0.623 0.02 . 1 . . . . . 190 LEU HD2 . 51692 1 135 . 1 . 1 157 157 LEU CD1 C 13 20.058 0.3 . 1 . . . . . 190 LEU CD1 . 51692 1 136 . 1 . 1 157 157 LEU CD2 C 13 23.018 0.3 . 1 . . . . . 190 LEU CD2 . 51692 1 137 . 1 . 1 160 160 LEU HD11 H 1 0.292 0.02 . 1 . . . . . 193 LEU HD1 . 51692 1 138 . 1 . 1 160 160 LEU HD12 H 1 0.292 0.02 . 1 . . . . . 193 LEU HD1 . 51692 1 139 . 1 . 1 160 160 LEU HD13 H 1 0.292 0.02 . 1 . . . . . 193 LEU HD1 . 51692 1 140 . 1 . 1 160 160 LEU HD21 H 1 0.133 0.02 . 1 . . . . . 193 LEU HD2 . 51692 1 141 . 1 . 1 160 160 LEU HD22 H 1 0.133 0.02 . 1 . . . . . 193 LEU HD2 . 51692 1 142 . 1 . 1 160 160 LEU HD23 H 1 0.133 0.02 . 1 . . . . . 193 LEU HD2 . 51692 1 143 . 1 . 1 160 160 LEU CD1 C 13 20.001 0.3 . 1 . . . . . 193 LEU CD1 . 51692 1 144 . 1 . 1 160 160 LEU CD2 C 13 22.979 0.3 . 1 . . . . . 193 LEU CD2 . 51692 1 145 . 1 . 1 162 162 VAL HG11 H 1 0.626 0.02 . 1 . . . . . 195 VAL HG1 . 51692 1 146 . 1 . 1 162 162 VAL HG12 H 1 0.626 0.02 . 1 . . . . . 195 VAL HG1 . 51692 1 147 . 1 . 1 162 162 VAL HG13 H 1 0.626 0.02 . 1 . . . . . 195 VAL HG1 . 51692 1 148 . 1 . 1 162 162 VAL HG21 H 1 0.718 0.02 . 1 . . . . . 195 VAL HG2 . 51692 1 149 . 1 . 1 162 162 VAL HG22 H 1 0.718 0.02 . 1 . . . . . 195 VAL HG2 . 51692 1 150 . 1 . 1 162 162 VAL HG23 H 1 0.718 0.02 . 1 . . . . . 195 VAL HG2 . 51692 1 151 . 1 . 1 162 162 VAL CG1 C 13 17.559 0.3 . 1 . . . . . 195 VAL CG1 . 51692 1 152 . 1 . 1 162 162 VAL CG2 C 13 19.467 0.3 . 1 . . . . . 195 VAL CG2 . 51692 1 153 . 1 . 1 163 163 VAL HG11 H 1 0.823 0.02 . 1 . . . . . 196 VAL HG1 . 51692 1 154 . 1 . 1 163 163 VAL HG12 H 1 0.823 0.02 . 1 . . . . . 196 VAL HG1 . 51692 1 155 . 1 . 1 163 163 VAL HG13 H 1 0.823 0.02 . 1 . . . . . 196 VAL HG1 . 51692 1 156 . 1 . 1 163 163 VAL HG21 H 1 0.807 0.02 . 1 . . . . . 196 VAL HG2 . 51692 1 157 . 1 . 1 163 163 VAL HG22 H 1 0.807 0.02 . 1 . . . . . 196 VAL HG2 . 51692 1 158 . 1 . 1 163 163 VAL HG23 H 1 0.807 0.02 . 1 . . . . . 196 VAL HG2 . 51692 1 159 . 1 . 1 163 163 VAL CG1 C 13 17.908 0.3 . 1 . . . . . 196 VAL CG1 . 51692 1 160 . 1 . 1 163 163 VAL CG2 C 13 17.023 0.3 . 1 . . . . . 196 VAL CG2 . 51692 1 161 . 1 . 1 177 177 ILE HD11 H 1 0.314 0.02 . 1 . . . . . 210 ILE HD1 . 51692 1 162 . 1 . 1 177 177 ILE HD12 H 1 0.314 0.02 . 1 . . . . . 210 ILE HD1 . 51692 1 163 . 1 . 1 177 177 ILE HD13 H 1 0.314 0.02 . 1 . . . . . 210 ILE HD1 . 51692 1 164 . 1 . 1 177 177 ILE CD1 C 13 11.387 0.3 . 1 . . . . . 210 ILE CD1 . 51692 1 165 . 1 . 1 180 180 ILE HD11 H 1 0.711 0.02 . 1 . . . . . 213 ILE HD1 . 51692 1 166 . 1 . 1 180 180 ILE HD12 H 1 0.711 0.02 . 1 . . . . . 213 ILE HD1 . 51692 1 167 . 1 . 1 180 180 ILE HD13 H 1 0.711 0.02 . 1 . . . . . 213 ILE HD1 . 51692 1 168 . 1 . 1 180 180 ILE CD1 C 13 11.539 0.3 . 1 . . . . . 213 ILE CD1 . 51692 1 169 . 1 . 1 186 186 LEU HD11 H 1 0.694 0.02 . 1 . . . . . 219 LEU HD1 . 51692 1 170 . 1 . 1 186 186 LEU HD12 H 1 0.694 0.02 . 1 . . . . . 219 LEU HD1 . 51692 1 171 . 1 . 1 186 186 LEU HD13 H 1 0.694 0.02 . 1 . . . . . 219 LEU HD1 . 51692 1 172 . 1 . 1 186 186 LEU CD1 C 13 24.745 0.3 . 1 . . . . . 219 LEU CD1 . 51692 1 173 . 1 . 1 191 191 ILE HD11 H 1 0.78 0.02 . 1 . . . . . 224 ILE HD1 . 51692 1 174 . 1 . 1 191 191 ILE HD12 H 1 0.78 0.02 . 1 . . . . . 224 ILE HD1 . 51692 1 175 . 1 . 1 191 191 ILE HD13 H 1 0.78 0.02 . 1 . . . . . 224 ILE HD1 . 51692 1 176 . 1 . 1 191 191 ILE CD1 C 13 11.92 0.3 . 1 . . . . . 224 ILE CD1 . 51692 1 177 . 1 . 1 195 195 ILE HD11 H 1 0.708 0.02 . 1 . . . . . 228 ILE HD1 . 51692 1 178 . 1 . 1 195 195 ILE HD12 H 1 0.708 0.02 . 1 . . . . . 228 ILE HD1 . 51692 1 179 . 1 . 1 195 195 ILE HD13 H 1 0.708 0.02 . 1 . . . . . 228 ILE HD1 . 51692 1 180 . 1 . 1 195 195 ILE CD1 C 13 11.054 0.3 . 1 . . . . . 228 ILE CD1 . 51692 1 181 . 1 . 1 200 200 VAL HG11 H 1 0.587 0.02 . 1 . . . . . 233 VAL HG1 . 51692 1 182 . 1 . 1 200 200 VAL HG12 H 1 0.587 0.02 . 1 . . . . . 233 VAL HG1 . 51692 1 183 . 1 . 1 200 200 VAL HG13 H 1 0.587 0.02 . 1 . . . . . 233 VAL HG1 . 51692 1 184 . 1 . 1 200 200 VAL HG21 H 1 0.716 0.02 . 1 . . . . . 233 VAL HG2 . 51692 1 185 . 1 . 1 200 200 VAL HG22 H 1 0.716 0.02 . 1 . . . . . 233 VAL HG2 . 51692 1 186 . 1 . 1 200 200 VAL HG23 H 1 0.716 0.02 . 1 . . . . . 233 VAL HG2 . 51692 1 187 . 1 . 1 200 200 VAL CG1 C 13 19.638 0.3 . 1 . . . . . 233 VAL CG1 . 51692 1 188 . 1 . 1 200 200 VAL CG2 C 13 19.329 0.3 . 1 . . . . . 233 VAL CG2 . 51692 1 189 . 1 . 1 206 206 VAL HG11 H 1 -0.154 0.02 . 1 . . . . . 239 VAL HG1 . 51692 1 190 . 1 . 1 206 206 VAL HG12 H 1 -0.154 0.02 . 1 . . . . . 239 VAL HG1 . 51692 1 191 . 1 . 1 206 206 VAL HG13 H 1 -0.154 0.02 . 1 . . . . . 239 VAL HG1 . 51692 1 192 . 1 . 1 206 206 VAL HG21 H 1 0.969 0.02 . 1 . . . . . 239 VAL HG2 . 51692 1 193 . 1 . 1 206 206 VAL HG22 H 1 0.969 0.02 . 1 . . . . . 239 VAL HG2 . 51692 1 194 . 1 . 1 206 206 VAL HG23 H 1 0.969 0.02 . 1 . . . . . 239 VAL HG2 . 51692 1 195 . 1 . 1 206 206 VAL CG1 C 13 18.608 0.3 . 1 . . . . . 239 VAL CG1 . 51692 1 196 . 1 . 1 206 206 VAL CG2 C 13 17.62 0.3 . 1 . . . . . 239 VAL CG2 . 51692 1 197 . 1 . 1 208 208 LEU HD11 H 1 0.953 0.02 . 1 . . . . . 241 LEU HD1 . 51692 1 198 . 1 . 1 208 208 LEU HD12 H 1 0.953 0.02 . 1 . . . . . 241 LEU HD1 . 51692 1 199 . 1 . 1 208 208 LEU HD13 H 1 0.953 0.02 . 1 . . . . . 241 LEU HD1 . 51692 1 200 . 1 . 1 208 208 LEU HD21 H 1 0.818 0.02 . 1 . . . . . 241 LEU HD2 . 51692 1 201 . 1 . 1 208 208 LEU HD22 H 1 0.818 0.02 . 1 . . . . . 241 LEU HD2 . 51692 1 202 . 1 . 1 208 208 LEU HD23 H 1 0.818 0.02 . 1 . . . . . 241 LEU HD2 . 51692 1 203 . 1 . 1 208 208 LEU CD1 C 13 21.515 0.3 . 1 . . . . . 241 LEU CD1 . 51692 1 204 . 1 . 1 208 208 LEU CD2 C 13 22.385 0.3 . 1 . . . . . 241 LEU CD2 . 51692 1 205 . 1 . 1 210 210 ILE HD11 H 1 0.745 0.02 . 1 . . . . . 243 ILE HD1 . 51692 1 206 . 1 . 1 210 210 ILE HD12 H 1 0.745 0.02 . 1 . . . . . 243 ILE HD1 . 51692 1 207 . 1 . 1 210 210 ILE HD13 H 1 0.745 0.02 . 1 . . . . . 243 ILE HD1 . 51692 1 208 . 1 . 1 210 210 ILE CD1 C 13 7.946 0.3 . 1 . . . . . 243 ILE CD1 . 51692 1 209 . 1 . 1 211 211 ILE HD11 H 1 0.845 0.02 . 1 . . . . . 244 ILE HD1 . 51692 1 210 . 1 . 1 211 211 ILE HD12 H 1 0.845 0.02 . 1 . . . . . 244 ILE HD1 . 51692 1 211 . 1 . 1 211 211 ILE HD13 H 1 0.845 0.02 . 1 . . . . . 244 ILE HD1 . 51692 1 212 . 1 . 1 211 211 ILE CD1 C 13 10.953 0.3 . 1 . . . . . 244 ILE CD1 . 51692 1 213 . 1 . 1 218 218 LEU HD11 H 1 0.781 0.02 . 1 . . . . . 251 LEU HD1 . 51692 1 214 . 1 . 1 218 218 LEU HD12 H 1 0.781 0.02 . 1 . . . . . 251 LEU HD1 . 51692 1 215 . 1 . 1 218 218 LEU HD13 H 1 0.781 0.02 . 1 . . . . . 251 LEU HD1 . 51692 1 216 . 1 . 1 218 218 LEU HD21 H 1 0.884 0.02 . 1 . . . . . 251 LEU HD2 . 51692 1 217 . 1 . 1 218 218 LEU HD22 H 1 0.884 0.02 . 1 . . . . . 251 LEU HD2 . 51692 1 218 . 1 . 1 218 218 LEU HD23 H 1 0.884 0.02 . 1 . . . . . 251 LEU HD2 . 51692 1 219 . 1 . 1 218 218 LEU CD1 C 13 22.915 0.3 . 1 . . . . . 251 LEU CD1 . 51692 1 220 . 1 . 1 218 218 LEU CD2 C 13 21.297 0.3 . 1 . . . . . 251 LEU CD2 . 51692 1 221 . 1 . 1 224 224 ILE HD11 H 1 0.822 0.02 . 1 . . . . . 257 ILE HD1 . 51692 1 222 . 1 . 1 224 224 ILE HD12 H 1 0.822 0.02 . 1 . . . . . 257 ILE HD1 . 51692 1 223 . 1 . 1 224 224 ILE HD13 H 1 0.822 0.02 . 1 . . . . . 257 ILE HD1 . 51692 1 224 . 1 . 1 224 224 ILE CD1 C 13 10.542 0.3 . 1 . . . . . 257 ILE CD1 . 51692 1 225 . 1 . 1 227 227 VAL HG11 H 1 0.645 0.02 . 1 . . . . . 260 VAL HG1 . 51692 1 226 . 1 . 1 227 227 VAL HG12 H 1 0.645 0.02 . 1 . . . . . 260 VAL HG1 . 51692 1 227 . 1 . 1 227 227 VAL HG13 H 1 0.645 0.02 . 1 . . . . . 260 VAL HG1 . 51692 1 228 . 1 . 1 227 227 VAL HG21 H 1 0.748 0.02 . 1 . . . . . 260 VAL HG2 . 51692 1 229 . 1 . 1 227 227 VAL HG22 H 1 0.748 0.02 . 1 . . . . . 260 VAL HG2 . 51692 1 230 . 1 . 1 227 227 VAL HG23 H 1 0.748 0.02 . 1 . . . . . 260 VAL HG2 . 51692 1 231 . 1 . 1 227 227 VAL CG1 C 13 18.226 0.3 . 1 . . . . . 260 VAL CG1 . 51692 1 232 . 1 . 1 227 227 VAL CG2 C 13 16.521 0.3 . 1 . . . . . 260 VAL CG2 . 51692 1 233 . 1 . 1 241 241 LEU HD11 H 1 0.56 0.02 . 1 . . . . . 274 LEU HD1 . 51692 1 234 . 1 . 1 241 241 LEU HD12 H 1 0.56 0.02 . 1 . . . . . 274 LEU HD1 . 51692 1 235 . 1 . 1 241 241 LEU HD13 H 1 0.56 0.02 . 1 . . . . . 274 LEU HD1 . 51692 1 236 . 1 . 1 241 241 LEU HD21 H 1 0.642 0.02 . 1 . . . . . 274 LEU HD2 . 51692 1 237 . 1 . 1 241 241 LEU HD22 H 1 0.642 0.02 . 1 . . . . . 274 LEU HD2 . 51692 1 238 . 1 . 1 241 241 LEU HD23 H 1 0.642 0.02 . 1 . . . . . 274 LEU HD2 . 51692 1 239 . 1 . 1 241 241 LEU CD1 C 13 24.672 0.3 . 1 . . . . . 274 LEU CD1 . 51692 1 240 . 1 . 1 241 241 LEU CD2 C 13 19.421 0.3 . 1 . . . . . 274 LEU CD2 . 51692 1 241 . 1 . 1 242 242 ILE HD11 H 1 0.655 0.02 . 1 . . . . . 275 ILE HD1 . 51692 1 242 . 1 . 1 242 242 ILE HD12 H 1 0.655 0.02 . 1 . . . . . 275 ILE HD1 . 51692 1 243 . 1 . 1 242 242 ILE HD13 H 1 0.655 0.02 . 1 . . . . . 275 ILE HD1 . 51692 1 244 . 1 . 1 242 242 ILE CD1 C 13 7.535 0.3 . 1 . . . . . 275 ILE CD1 . 51692 1 245 . 1 . 1 245 245 VAL HG11 H 1 0.896 0.02 . 1 . . . . . 278 VAL HG1 . 51692 1 246 . 1 . 1 245 245 VAL HG12 H 1 0.896 0.02 . 1 . . . . . 278 VAL HG1 . 51692 1 247 . 1 . 1 245 245 VAL HG13 H 1 0.896 0.02 . 1 . . . . . 278 VAL HG1 . 51692 1 248 . 1 . 1 245 245 VAL HG21 H 1 0.667 0.02 . 1 . . . . . 278 VAL HG2 . 51692 1 249 . 1 . 1 245 245 VAL HG22 H 1 0.667 0.02 . 1 . . . . . 278 VAL HG2 . 51692 1 250 . 1 . 1 245 245 VAL HG23 H 1 0.667 0.02 . 1 . . . . . 278 VAL HG2 . 51692 1 251 . 1 . 1 245 245 VAL CG1 C 13 16.6 0.3 . 1 . . . . . 278 VAL CG1 . 51692 1 252 . 1 . 1 245 245 VAL CG2 C 13 17.777 0.3 . 1 . . . . . 278 VAL CG2 . 51692 1 253 . 1 . 1 248 248 ILE HD11 H 1 0.597 0.02 . 1 . . . . . 281 ILE HD1 . 51692 1 254 . 1 . 1 248 248 ILE HD12 H 1 0.597 0.02 . 1 . . . . . 281 ILE HD1 . 51692 1 255 . 1 . 1 248 248 ILE HD13 H 1 0.597 0.02 . 1 . . . . . 281 ILE HD1 . 51692 1 256 . 1 . 1 248 248 ILE CD1 C 13 11.01 0.3 . 1 . . . . . 281 ILE CD1 . 51692 1 257 . 1 . 1 253 253 ILE HD11 H 1 0.95 0.02 . 1 . . . . . 286 ILE HD1 . 51692 1 258 . 1 . 1 253 253 ILE HD12 H 1 0.95 0.02 . 1 . . . . . 286 ILE HD1 . 51692 1 259 . 1 . 1 253 253 ILE HD13 H 1 0.95 0.02 . 1 . . . . . 286 ILE HD1 . 51692 1 260 . 1 . 1 253 253 ILE CD1 C 13 11.463 0.3 . 1 . . . . . 286 ILE CD1 . 51692 1 261 . 1 . 1 259 259 LEU HD11 H 1 0.578 0.02 . 1 . . . . . 292 LEU HD1 . 51692 1 262 . 1 . 1 259 259 LEU HD12 H 1 0.578 0.02 . 1 . . . . . 292 LEU HD1 . 51692 1 263 . 1 . 1 259 259 LEU HD13 H 1 0.578 0.02 . 1 . . . . . 292 LEU HD1 . 51692 1 264 . 1 . 1 259 259 LEU HD21 H 1 0.605 0.02 . 1 . . . . . 292 LEU HD2 . 51692 1 265 . 1 . 1 259 259 LEU HD22 H 1 0.605 0.02 . 1 . . . . . 292 LEU HD2 . 51692 1 266 . 1 . 1 259 259 LEU HD23 H 1 0.605 0.02 . 1 . . . . . 292 LEU HD2 . 51692 1 267 . 1 . 1 259 259 LEU CD1 C 13 20.616 0.3 . 1 . . . . . 292 LEU CD1 . 51692 1 268 . 1 . 1 259 259 LEU CD2 C 13 23.503 0.3 . 1 . . . . . 292 LEU CD2 . 51692 1 269 . 1 . 1 265 265 ILE HD11 H 1 0.793 0.02 . 1 . . . . . 298 ILE HD1 . 51692 1 270 . 1 . 1 265 265 ILE HD12 H 1 0.793 0.02 . 1 . . . . . 298 ILE HD1 . 51692 1 271 . 1 . 1 265 265 ILE HD13 H 1 0.793 0.02 . 1 . . . . . 298 ILE HD1 . 51692 1 272 . 1 . 1 265 265 ILE CD1 C 13 11.983 0.3 . 1 . . . . . 298 ILE CD1 . 51692 1 273 . 1 . 1 270 270 LEU HD11 H 1 0.879 0.02 . 1 . . . . . 303 LEU HD1 . 51692 1 274 . 1 . 1 270 270 LEU HD12 H 1 0.879 0.02 . 1 . . . . . 303 LEU HD1 . 51692 1 275 . 1 . 1 270 270 LEU HD13 H 1 0.879 0.02 . 1 . . . . . 303 LEU HD1 . 51692 1 276 . 1 . 1 270 270 LEU HD21 H 1 0.867 0.02 . 1 . . . . . 303 LEU HD2 . 51692 1 277 . 1 . 1 270 270 LEU HD22 H 1 0.867 0.02 . 1 . . . . . 303 LEU HD2 . 51692 1 278 . 1 . 1 270 270 LEU HD23 H 1 0.867 0.02 . 1 . . . . . 303 LEU HD2 . 51692 1 279 . 1 . 1 270 270 LEU CD1 C 13 20.649 0.3 . 1 . . . . . 303 LEU CD1 . 51692 1 280 . 1 . 1 270 270 LEU CD2 C 13 25 0.3 . 1 . . . . . 303 LEU CD2 . 51692 1 281 . 1 . 1 278 278 LEU HD11 H 1 0.535 0.02 . 1 . . . . . 311 LEU HD1 . 51692 1 282 . 1 . 1 278 278 LEU HD12 H 1 0.535 0.02 . 1 . . . . . 311 LEU HD1 . 51692 1 283 . 1 . 1 278 278 LEU HD13 H 1 0.535 0.02 . 1 . . . . . 311 LEU HD1 . 51692 1 284 . 1 . 1 278 278 LEU HD21 H 1 0.838 0.02 . 1 . . . . . 311 LEU HD2 . 51692 1 285 . 1 . 1 278 278 LEU HD22 H 1 0.838 0.02 . 1 . . . . . 311 LEU HD2 . 51692 1 286 . 1 . 1 278 278 LEU HD23 H 1 0.838 0.02 . 1 . . . . . 311 LEU HD2 . 51692 1 287 . 1 . 1 278 278 LEU CD1 C 13 20.012 0.3 . 1 . . . . . 311 LEU CD1 . 51692 1 288 . 1 . 1 278 278 LEU CD2 C 13 24.513 0.3 . 1 . . . . . 311 LEU CD2 . 51692 1 289 . 1 . 1 286 286 LEU HD11 H 1 0.653 0.02 . 1 . . . . . 319 LEU HD1 . 51692 1 290 . 1 . 1 286 286 LEU HD12 H 1 0.653 0.02 . 1 . . . . . 319 LEU HD1 . 51692 1 291 . 1 . 1 286 286 LEU HD13 H 1 0.653 0.02 . 1 . . . . . 319 LEU HD1 . 51692 1 292 . 1 . 1 286 286 LEU HD21 H 1 0.704 0.02 . 1 . . . . . 319 LEU HD2 . 51692 1 293 . 1 . 1 286 286 LEU HD22 H 1 0.704 0.02 . 1 . . . . . 319 LEU HD2 . 51692 1 294 . 1 . 1 286 286 LEU HD23 H 1 0.704 0.02 . 1 . . . . . 319 LEU HD2 . 51692 1 295 . 1 . 1 286 286 LEU CD1 C 13 23.575 0.3 . 1 . . . . . 319 LEU CD1 . 51692 1 296 . 1 . 1 286 286 LEU CD2 C 13 21.688 0.3 . 1 . . . . . 319 LEU CD2 . 51692 1 297 . 1 . 1 288 288 ILE HD11 H 1 0.782 0.02 . 1 . . . . . 321 ILE HD1 . 51692 1 298 . 1 . 1 288 288 ILE HD12 H 1 0.782 0.02 . 1 . . . . . 321 ILE HD1 . 51692 1 299 . 1 . 1 288 288 ILE HD13 H 1 0.782 0.02 . 1 . . . . . 321 ILE HD1 . 51692 1 300 . 1 . 1 288 288 ILE CD1 C 13 11.533 0.3 . 1 . . . . . 321 ILE CD1 . 51692 1 301 . 1 . 1 294 294 VAL HG11 H 1 1.122 0.02 . 1 . . . . . 327 VAL HG1 . 51692 1 302 . 1 . 1 294 294 VAL HG12 H 1 1.122 0.02 . 1 . . . . . 327 VAL HG1 . 51692 1 303 . 1 . 1 294 294 VAL HG13 H 1 1.122 0.02 . 1 . . . . . 327 VAL HG1 . 51692 1 304 . 1 . 1 294 294 VAL HG21 H 1 0.957 0.02 . 1 . . . . . 327 VAL HG2 . 51692 1 305 . 1 . 1 294 294 VAL HG22 H 1 0.957 0.02 . 1 . . . . . 327 VAL HG2 . 51692 1 306 . 1 . 1 294 294 VAL HG23 H 1 0.957 0.02 . 1 . . . . . 327 VAL HG2 . 51692 1 307 . 1 . 1 294 294 VAL CG1 C 13 19.991 0.3 . 1 . . . . . 327 VAL CG1 . 51692 1 308 . 1 . 1 294 294 VAL CG2 C 13 19.037 0.3 . 1 . . . . . 327 VAL CG2 . 51692 1 309 . 1 . 1 298 298 VAL HG11 H 1 0.99 0.02 . 1 . . . . . 331 VAL HG1 . 51692 1 310 . 1 . 1 298 298 VAL HG12 H 1 0.99 0.02 . 1 . . . . . 331 VAL HG1 . 51692 1 311 . 1 . 1 298 298 VAL HG13 H 1 0.99 0.02 . 1 . . . . . 331 VAL HG1 . 51692 1 312 . 1 . 1 298 298 VAL HG21 H 1 0.742 0.02 . 1 . . . . . 331 VAL HG2 . 51692 1 313 . 1 . 1 298 298 VAL HG22 H 1 0.742 0.02 . 1 . . . . . 331 VAL HG2 . 51692 1 314 . 1 . 1 298 298 VAL HG23 H 1 0.742 0.02 . 1 . . . . . 331 VAL HG2 . 51692 1 315 . 1 . 1 298 298 VAL CG1 C 13 19.258 0.3 . 1 . . . . . 331 VAL CG1 . 51692 1 316 . 1 . 1 298 298 VAL CG2 C 13 18.793 0.3 . 1 . . . . . 331 VAL CG2 . 51692 1 317 . 1 . 1 299 299 LEU HD11 H 1 0.84 0.02 . 1 . . . . . 332 LEU HD1 . 51692 1 318 . 1 . 1 299 299 LEU HD12 H 1 0.84 0.02 . 1 . . . . . 332 LEU HD1 . 51692 1 319 . 1 . 1 299 299 LEU HD13 H 1 0.84 0.02 . 1 . . . . . 332 LEU HD1 . 51692 1 320 . 1 . 1 299 299 LEU HD21 H 1 0.04 0.02 . 1 . . . . . 332 LEU HD2 . 51692 1 321 . 1 . 1 299 299 LEU HD22 H 1 0.04 0.02 . 1 . . . . . 332 LEU HD2 . 51692 1 322 . 1 . 1 299 299 LEU HD23 H 1 0.04 0.02 . 1 . . . . . 332 LEU HD2 . 51692 1 323 . 1 . 1 299 299 LEU CD1 C 13 23.015 0.3 . 1 . . . . . 332 LEU CD1 . 51692 1 324 . 1 . 1 299 299 LEU CD2 C 13 21.354 0.3 . 1 . . . . . 332 LEU CD2 . 51692 1 325 . 1 . 1 300 300 ILE HD11 H 1 0.587 0.02 . 1 . . . . . 333 ILE HD1 . 51692 1 326 . 1 . 1 300 300 ILE HD12 H 1 0.587 0.02 . 1 . . . . . 333 ILE HD1 . 51692 1 327 . 1 . 1 300 300 ILE HD13 H 1 0.587 0.02 . 1 . . . . . 333 ILE HD1 . 51692 1 328 . 1 . 1 300 300 ILE CD1 C 13 11.777 0.3 . 1 . . . . . 333 ILE CD1 . 51692 1 329 . 1 . 1 304 304 VAL HG11 H 1 0.871 0.02 . 1 . . . . . 337 VAL HG1 . 51692 1 330 . 1 . 1 304 304 VAL HG12 H 1 0.871 0.02 . 1 . . . . . 337 VAL HG1 . 51692 1 331 . 1 . 1 304 304 VAL HG13 H 1 0.871 0.02 . 1 . . . . . 337 VAL HG1 . 51692 1 332 . 1 . 1 304 304 VAL HG21 H 1 0.784 0.02 . 1 . . . . . 337 VAL HG2 . 51692 1 333 . 1 . 1 304 304 VAL HG22 H 1 0.784 0.02 . 1 . . . . . 337 VAL HG2 . 51692 1 334 . 1 . 1 304 304 VAL HG23 H 1 0.784 0.02 . 1 . . . . . 337 VAL HG2 . 51692 1 335 . 1 . 1 304 304 VAL CG1 C 13 16.767 0.3 . 1 . . . . . 337 VAL CG1 . 51692 1 336 . 1 . 1 304 304 VAL CG2 C 13 19.311 0.3 . 1 . . . . . 337 VAL CG2 . 51692 1 337 . 1 . 1 310 310 ILE HD11 H 1 0.228 0.02 . 1 . . . . . 343 ILE HD1 . 51692 1 338 . 1 . 1 310 310 ILE HD12 H 1 0.228 0.02 . 1 . . . . . 343 ILE HD1 . 51692 1 339 . 1 . 1 310 310 ILE HD13 H 1 0.228 0.02 . 1 . . . . . 343 ILE HD1 . 51692 1 340 . 1 . 1 310 310 ILE CD1 C 13 8.492 0.3 . 1 . . . . . 343 ILE CD1 . 51692 1 341 . 1 . 1 312 312 LEU HD11 H 1 0.613 0.02 . 1 . . . . . 345 LEU HD1 . 51692 1 342 . 1 . 1 312 312 LEU HD12 H 1 0.613 0.02 . 1 . . . . . 345 LEU HD1 . 51692 1 343 . 1 . 1 312 312 LEU HD13 H 1 0.613 0.02 . 1 . . . . . 345 LEU HD1 . 51692 1 344 . 1 . 1 312 312 LEU HD21 H 1 0.905 0.02 . 1 . . . . . 345 LEU HD2 . 51692 1 345 . 1 . 1 312 312 LEU HD22 H 1 0.905 0.02 . 1 . . . . . 345 LEU HD2 . 51692 1 346 . 1 . 1 312 312 LEU HD23 H 1 0.905 0.02 . 1 . . . . . 345 LEU HD2 . 51692 1 347 . 1 . 1 312 312 LEU CD1 C 13 23.917 0.3 . 1 . . . . . 345 LEU CD1 . 51692 1 348 . 1 . 1 312 312 LEU CD2 C 13 25.577 0.3 . 1 . . . . . 345 LEU CD2 . 51692 1 349 . 1 . 1 314 314 ILE HD11 H 1 0.444 0.02 . 1 . . . . . 347 ILE HD1 . 51692 1 350 . 1 . 1 314 314 ILE HD12 H 1 0.444 0.02 . 1 . . . . . 347 ILE HD1 . 51692 1 351 . 1 . 1 314 314 ILE HD13 H 1 0.444 0.02 . 1 . . . . . 347 ILE HD1 . 51692 1 352 . 1 . 1 314 314 ILE CD1 C 13 4.714 0.3 . 1 . . . . . 347 ILE CD1 . 51692 1 353 . 1 . 1 334 334 VAL HG11 H 1 0.971 0.02 . 1 . . . . . 367 VAL HG1 . 51692 1 354 . 1 . 1 334 334 VAL HG12 H 1 0.971 0.02 . 1 . . . . . 367 VAL HG1 . 51692 1 355 . 1 . 1 334 334 VAL HG13 H 1 0.971 0.02 . 1 . . . . . 367 VAL HG1 . 51692 1 356 . 1 . 1 334 334 VAL HG21 H 1 0.825 0.02 . 1 . . . . . 367 VAL HG2 . 51692 1 357 . 1 . 1 334 334 VAL HG22 H 1 0.825 0.02 . 1 . . . . . 367 VAL HG2 . 51692 1 358 . 1 . 1 334 334 VAL HG23 H 1 0.825 0.02 . 1 . . . . . 367 VAL HG2 . 51692 1 359 . 1 . 1 334 334 VAL CG1 C 13 18.429 0.3 . 1 . . . . . 367 VAL CG1 . 51692 1 360 . 1 . 1 334 334 VAL CG2 C 13 19.19 0.3 . 1 . . . . . 367 VAL CG2 . 51692 1 361 . 1 . 1 343 343 LEU HD11 H 1 0.93 0.02 . 1 . . . . . 376 LEU HD1 . 51692 1 362 . 1 . 1 343 343 LEU HD12 H 1 0.93 0.02 . 1 . . . . . 376 LEU HD1 . 51692 1 363 . 1 . 1 343 343 LEU HD13 H 1 0.93 0.02 . 1 . . . . . 376 LEU HD1 . 51692 1 364 . 1 . 1 343 343 LEU HD21 H 1 0.768 0.02 . 1 . . . . . 376 LEU HD2 . 51692 1 365 . 1 . 1 343 343 LEU HD22 H 1 0.768 0.02 . 1 . . . . . 376 LEU HD2 . 51692 1 366 . 1 . 1 343 343 LEU HD23 H 1 0.768 0.02 . 1 . . . . . 376 LEU HD2 . 51692 1 367 . 1 . 1 343 343 LEU CD1 C 13 20.271 0.3 . 1 . . . . . 376 LEU CD1 . 51692 1 368 . 1 . 1 343 343 LEU CD2 C 13 23.124 0.3 . 1 . . . . . 376 LEU CD2 . 51692 1 369 . 1 . 1 344 344 LEU HD11 H 1 0.614 0.02 . 1 . . . . . 377 LEU HD1 . 51692 1 370 . 1 . 1 344 344 LEU HD12 H 1 0.614 0.02 . 1 . . . . . 377 LEU HD1 . 51692 1 371 . 1 . 1 344 344 LEU HD13 H 1 0.614 0.02 . 1 . . . . . 377 LEU HD1 . 51692 1 372 . 1 . 1 344 344 LEU HD21 H 1 0.695 0.02 . 1 . . . . . 377 LEU HD2 . 51692 1 373 . 1 . 1 344 344 LEU HD22 H 1 0.695 0.02 . 1 . . . . . 377 LEU HD2 . 51692 1 374 . 1 . 1 344 344 LEU HD23 H 1 0.695 0.02 . 1 . . . . . 377 LEU HD2 . 51692 1 375 . 1 . 1 344 344 LEU CD1 C 13 20.319 0.3 . 1 . . . . . 377 LEU CD1 . 51692 1 376 . 1 . 1 344 344 LEU CD2 C 13 22.473 0.3 . 1 . . . . . 377 LEU CD2 . 51692 1 377 . 1 . 1 346 346 LEU HD11 H 1 0.629 0.02 . 1 . . . . . 379 LEU HD1 . 51692 1 378 . 1 . 1 346 346 LEU HD12 H 1 0.629 0.02 . 1 . . . . . 379 LEU HD1 . 51692 1 379 . 1 . 1 346 346 LEU HD13 H 1 0.629 0.02 . 1 . . . . . 379 LEU HD1 . 51692 1 380 . 1 . 1 346 346 LEU HD21 H 1 0.683 0.02 . 1 . . . . . 379 LEU HD2 . 51692 1 381 . 1 . 1 346 346 LEU HD22 H 1 0.683 0.02 . 1 . . . . . 379 LEU HD2 . 51692 1 382 . 1 . 1 346 346 LEU HD23 H 1 0.683 0.02 . 1 . . . . . 379 LEU HD2 . 51692 1 383 . 1 . 1 346 346 LEU CD1 C 13 23.743 0.3 . 1 . . . . . 379 LEU CD1 . 51692 1 384 . 1 . 1 346 346 LEU CD2 C 13 23.177 0.3 . 1 . . . . . 379 LEU CD2 . 51692 1 385 . 1 . 1 361 361 ILE HD11 H 1 1.047 0.02 . 1 . . . . . 394 ILE HD1 . 51692 1 386 . 1 . 1 361 361 ILE HD12 H 1 1.047 0.02 . 1 . . . . . 394 ILE HD1 . 51692 1 387 . 1 . 1 361 361 ILE HD13 H 1 1.047 0.02 . 1 . . . . . 394 ILE HD1 . 51692 1 388 . 1 . 1 361 361 ILE CD1 C 13 12.718 0.3 . 1 . . . . . 394 ILE CD1 . 51692 1 389 . 1 . 1 378 378 ILE HD11 H 1 0.773 0.02 . 1 . . . . . 411 ILE HD1 . 51692 1 390 . 1 . 1 378 378 ILE HD12 H 1 0.773 0.02 . 1 . . . . . 411 ILE HD1 . 51692 1 391 . 1 . 1 378 378 ILE HD13 H 1 0.773 0.02 . 1 . . . . . 411 ILE HD1 . 51692 1 392 . 1 . 1 378 378 ILE CD1 C 13 9.794 0.3 . 1 . . . . . 411 ILE CD1 . 51692 1 393 . 1 . 1 394 394 ILE HD11 H 1 0.466 0.02 . 1 . . . . . 427 ILE HD1 . 51692 1 394 . 1 . 1 394 394 ILE HD12 H 1 0.466 0.02 . 1 . . . . . 427 ILE HD1 . 51692 1 395 . 1 . 1 394 394 ILE HD13 H 1 0.466 0.02 . 1 . . . . . 427 ILE HD1 . 51692 1 396 . 1 . 1 394 394 ILE CD1 C 13 7.09 0.3 . 1 . . . . . 427 ILE CD1 . 51692 1 397 . 1 . 1 398 398 ILE HD11 H 1 0.925 0.02 . 1 . . . . . 431 ILE HD1 . 51692 1 398 . 1 . 1 398 398 ILE HD12 H 1 0.925 0.02 . 1 . . . . . 431 ILE HD1 . 51692 1 399 . 1 . 1 398 398 ILE HD13 H 1 0.925 0.02 . 1 . . . . . 431 ILE HD1 . 51692 1 400 . 1 . 1 398 398 ILE CD1 C 13 12.011 0.3 . 1 . . . . . 431 ILE CD1 . 51692 1 401 . 1 . 1 400 400 LEU HD11 H 1 0.936 0.02 . 1 . . . . . 433 LEU HD1 . 51692 1 402 . 1 . 1 400 400 LEU HD12 H 1 0.936 0.02 . 1 . . . . . 433 LEU HD1 . 51692 1 403 . 1 . 1 400 400 LEU HD13 H 1 0.936 0.02 . 1 . . . . . 433 LEU HD1 . 51692 1 404 . 1 . 1 400 400 LEU HD21 H 1 0.874 0.02 . 1 . . . . . 433 LEU HD2 . 51692 1 405 . 1 . 1 400 400 LEU HD22 H 1 0.874 0.02 . 1 . . . . . 433 LEU HD2 . 51692 1 406 . 1 . 1 400 400 LEU HD23 H 1 0.874 0.02 . 1 . . . . . 433 LEU HD2 . 51692 1 407 . 1 . 1 400 400 LEU CD1 C 13 24.422 0.3 . 1 . . . . . 433 LEU CD1 . 51692 1 408 . 1 . 1 400 400 LEU CD2 C 13 24.03 0.3 . 1 . . . . . 433 LEU CD2 . 51692 1 409 . 1 . 1 405 405 ILE HD11 H 1 0.889 0.02 . 1 . . . . . 438 ILE HD1 . 51692 1 410 . 1 . 1 405 405 ILE HD12 H 1 0.889 0.02 . 1 . . . . . 438 ILE HD1 . 51692 1 411 . 1 . 1 405 405 ILE HD13 H 1 0.889 0.02 . 1 . . . . . 438 ILE HD1 . 51692 1 412 . 1 . 1 405 405 ILE CD1 C 13 10.531 0.3 . 1 . . . . . 438 ILE CD1 . 51692 1 413 . 1 . 1 410 410 VAL HG11 H 1 0.863 0.02 . 1 . . . . . 443 VAL HG1 . 51692 1 414 . 1 . 1 410 410 VAL HG12 H 1 0.863 0.02 . 1 . . . . . 443 VAL HG1 . 51692 1 415 . 1 . 1 410 410 VAL HG13 H 1 0.863 0.02 . 1 . . . . . 443 VAL HG1 . 51692 1 416 . 1 . 1 410 410 VAL CG1 C 13 18.146 0.3 . 1 . . . . . 443 VAL CG1 . 51692 1 417 . 1 . 1 411 411 LEU HD11 H 1 0.581 0.02 . 1 . . . . . 444 LEU HD1 . 51692 1 418 . 1 . 1 411 411 LEU HD12 H 1 0.581 0.02 . 1 . . . . . 444 LEU HD1 . 51692 1 419 . 1 . 1 411 411 LEU HD13 H 1 0.581 0.02 . 1 . . . . . 444 LEU HD1 . 51692 1 420 . 1 . 1 411 411 LEU HD21 H 1 0.561 0.02 . 1 . . . . . 444 LEU HD2 . 51692 1 421 . 1 . 1 411 411 LEU HD22 H 1 0.561 0.02 . 1 . . . . . 444 LEU HD2 . 51692 1 422 . 1 . 1 411 411 LEU HD23 H 1 0.561 0.02 . 1 . . . . . 444 LEU HD2 . 51692 1 423 . 1 . 1 411 411 LEU CD1 C 13 19.708 0.3 . 1 . . . . . 444 LEU CD1 . 51692 1 424 . 1 . 1 411 411 LEU CD2 C 13 21.988 0.3 . 1 . . . . . 444 LEU CD2 . 51692 1 425 . 1 . 1 413 413 ILE HD11 H 1 0.526 0.3 . 1 . . . . . 446 ILE HD1 . 51692 1 426 . 1 . 1 413 413 ILE HD12 H 1 0.526 0.3 . 1 . . . . . 446 ILE HD1 . 51692 1 427 . 1 . 1 413 413 ILE HD13 H 1 0.526 0.3 . 1 . . . . . 446 ILE HD1 . 51692 1 428 . 1 . 1 413 413 ILE CD1 C 13 10.24 0.3 . 1 . . . . . 446 ILE CD1 . 51692 1 429 . 1 . 1 416 416 LEU HD11 H 1 0.927 0.02 . 1 . . . . . 449 LEU HD1 . 51692 1 430 . 1 . 1 416 416 LEU HD12 H 1 0.927 0.02 . 1 . . . . . 449 LEU HD1 . 51692 1 431 . 1 . 1 416 416 LEU HD13 H 1 0.927 0.02 . 1 . . . . . 449 LEU HD1 . 51692 1 432 . 1 . 1 416 416 LEU HD21 H 1 0.921 0.02 . 1 . . . . . 449 LEU HD2 . 51692 1 433 . 1 . 1 416 416 LEU HD22 H 1 0.921 0.02 . 1 . . . . . 449 LEU HD2 . 51692 1 434 . 1 . 1 416 416 LEU HD23 H 1 0.921 0.02 . 1 . . . . . 449 LEU HD2 . 51692 1 435 . 1 . 1 416 416 LEU CD1 C 13 22.539 0.3 . 1 . . . . . 449 LEU CD1 . 51692 1 436 . 1 . 1 416 416 LEU CD2 C 13 21.751 0.3 . 1 . . . . . 449 LEU CD2 . 51692 1 437 . 1 . 1 429 429 VAL HG11 H 1 1.618 0.02 . 1 . . . . . 462 VAL HG1 . 51692 1 438 . 1 . 1 429 429 VAL HG12 H 1 1.618 0.02 . 1 . . . . . 462 VAL HG1 . 51692 1 439 . 1 . 1 429 429 VAL HG13 H 1 1.618 0.02 . 1 . . . . . 462 VAL HG1 . 51692 1 440 . 1 . 1 429 429 VAL CG1 C 13 18.98 0.3 . 1 . . . . . 462 VAL CG1 . 51692 1 441 . 1 . 1 432 432 VAL HG11 H 1 1.108 0.02 . 1 . . . . . 465 VAL HG1 . 51692 1 442 . 1 . 1 432 432 VAL HG12 H 1 1.108 0.02 . 1 . . . . . 465 VAL HG1 . 51692 1 443 . 1 . 1 432 432 VAL HG13 H 1 1.108 0.02 . 1 . . . . . 465 VAL HG1 . 51692 1 444 . 1 . 1 432 432 VAL HG21 H 1 1.04 0.02 . 1 . . . . . 465 VAL HG2 . 51692 1 445 . 1 . 1 432 432 VAL HG22 H 1 1.04 0.02 . 1 . . . . . 465 VAL HG2 . 51692 1 446 . 1 . 1 432 432 VAL HG23 H 1 1.04 0.02 . 1 . . . . . 465 VAL HG2 . 51692 1 447 . 1 . 1 432 432 VAL CG1 C 13 18.57 0.3 . 1 . . . . . 465 VAL CG1 . 51692 1 448 . 1 . 1 432 432 VAL CG2 C 13 18.762 0.3 . 1 . . . . . 465 VAL CG2 . 51692 1 449 . 1 . 1 435 435 VAL HG11 H 1 0.863 0.02 . 1 . . . . . 468 VAL HG1 . 51692 1 450 . 1 . 1 435 435 VAL HG12 H 1 0.863 0.02 . 1 . . . . . 468 VAL HG1 . 51692 1 451 . 1 . 1 435 435 VAL HG13 H 1 0.863 0.02 . 1 . . . . . 468 VAL HG1 . 51692 1 452 . 1 . 1 435 435 VAL HG21 H 1 0.974 0.02 . 1 . . . . . 468 VAL HG2 . 51692 1 453 . 1 . 1 435 435 VAL HG22 H 1 0.974 0.02 . 1 . . . . . 468 VAL HG2 . 51692 1 454 . 1 . 1 435 435 VAL HG23 H 1 0.974 0.02 . 1 . . . . . 468 VAL HG2 . 51692 1 455 . 1 . 1 435 435 VAL CG1 C 13 18.691 0.3 . 1 . . . . . 468 VAL CG1 . 51692 1 456 . 1 . 1 435 435 VAL CG2 C 13 18.098 0.3 . 1 . . . . . 468 VAL CG2 . 51692 1 457 . 1 . 1 438 438 VAL HG11 H 1 0.696 0.02 . 1 . . . . . 471 VAL HG1 . 51692 1 458 . 1 . 1 438 438 VAL HG12 H 1 0.696 0.02 . 1 . . . . . 471 VAL HG1 . 51692 1 459 . 1 . 1 438 438 VAL HG13 H 1 0.696 0.02 . 1 . . . . . 471 VAL HG1 . 51692 1 460 . 1 . 1 438 438 VAL HG21 H 1 0.741 0.02 . 1 . . . . . 471 VAL HG2 . 51692 1 461 . 1 . 1 438 438 VAL HG22 H 1 0.741 0.02 . 1 . . . . . 471 VAL HG2 . 51692 1 462 . 1 . 1 438 438 VAL HG23 H 1 0.741 0.02 . 1 . . . . . 471 VAL HG2 . 51692 1 463 . 1 . 1 438 438 VAL CG1 C 13 17.939 0.3 . 1 . . . . . 471 VAL CG1 . 51692 1 464 . 1 . 1 438 438 VAL CG2 C 13 18.57 0.3 . 1 . . . . . 471 VAL CG2 . 51692 1 465 . 1 . 1 440 440 LEU HD11 H 1 0.737 0.02 . 1 . . . . . 473 LEU HD1 . 51692 1 466 . 1 . 1 440 440 LEU HD12 H 1 0.737 0.02 . 1 . . . . . 473 LEU HD1 . 51692 1 467 . 1 . 1 440 440 LEU HD13 H 1 0.737 0.02 . 1 . . . . . 473 LEU HD1 . 51692 1 468 . 1 . 1 440 440 LEU HD21 H 1 0.81 0.02 . 1 . . . . . 473 LEU HD2 . 51692 1 469 . 1 . 1 440 440 LEU HD22 H 1 0.81 0.02 . 1 . . . . . 473 LEU HD2 . 51692 1 470 . 1 . 1 440 440 LEU HD23 H 1 0.81 0.02 . 1 . . . . . 473 LEU HD2 . 51692 1 471 . 1 . 1 440 440 LEU CD1 C 13 23.836 0.3 . 1 . . . . . 473 LEU CD1 . 51692 1 472 . 1 . 1 440 440 LEU CD2 C 13 19.659 0.3 . 1 . . . . . 473 LEU CD2 . 51692 1 473 . 1 . 1 444 444 LEU HD11 H 1 0.927 0.02 . 1 . . . . . 477 LEU HD1 . 51692 1 474 . 1 . 1 444 444 LEU HD12 H 1 0.927 0.02 . 1 . . . . . 477 LEU HD1 . 51692 1 475 . 1 . 1 444 444 LEU HD13 H 1 0.927 0.02 . 1 . . . . . 477 LEU HD1 . 51692 1 476 . 1 . 1 444 444 LEU CD1 C 13 18.52 0.3 . 1 . . . . . 477 LEU CD1 . 51692 1 477 . 1 . 1 445 445 ILE HD11 H 1 0.718 0.02 . 1 . . . . . 478 ILE HD1 . 51692 1 478 . 1 . 1 445 445 ILE HD12 H 1 0.718 0.02 . 1 . . . . . 478 ILE HD1 . 51692 1 479 . 1 . 1 445 445 ILE HD13 H 1 0.718 0.02 . 1 . . . . . 478 ILE HD1 . 51692 1 480 . 1 . 1 445 445 ILE CD1 C 13 12.565 0.3 . 1 . . . . . 478 ILE CD1 . 51692 1 481 . 1 . 1 450 450 ILE HD11 H 1 0.584 0.02 . 1 . . . . . 483 ILE HD1 . 51692 1 482 . 1 . 1 450 450 ILE HD12 H 1 0.584 0.02 . 1 . . . . . 483 ILE HD1 . 51692 1 483 . 1 . 1 450 450 ILE HD13 H 1 0.584 0.02 . 1 . . . . . 483 ILE HD1 . 51692 1 484 . 1 . 1 450 450 ILE CD1 C 13 10.493 0.3 . 1 . . . . . 483 ILE CD1 . 51692 1 485 . 1 . 1 457 457 LEU HD11 H 1 1.337 0.02 . 1 . . . . . 490 LEU HD1 . 51692 1 486 . 1 . 1 457 457 LEU HD12 H 1 1.337 0.02 . 1 . . . . . 490 LEU HD1 . 51692 1 487 . 1 . 1 457 457 LEU HD13 H 1 1.337 0.02 . 1 . . . . . 490 LEU HD1 . 51692 1 488 . 1 . 1 457 457 LEU HD21 H 1 1.217 0.02 . 1 . . . . . 490 LEU HD2 . 51692 1 489 . 1 . 1 457 457 LEU HD22 H 1 1.217 0.02 . 1 . . . . . 490 LEU HD2 . 51692 1 490 . 1 . 1 457 457 LEU HD23 H 1 1.217 0.02 . 1 . . . . . 490 LEU HD2 . 51692 1 491 . 1 . 1 457 457 LEU CD1 C 13 23.743 0.3 . 1 . . . . . 490 LEU CD1 . 51692 1 492 . 1 . 1 457 457 LEU CD2 C 13 20.625 0.3 . 1 . . . . . 490 LEU CD2 . 51692 1 493 . 1 . 1 468 468 LEU HD11 H 1 -0.23 0.02 . 1 . . . . . 501 LEU HD1 . 51692 1 494 . 1 . 1 468 468 LEU HD12 H 1 -0.23 0.02 . 1 . . . . . 501 LEU HD1 . 51692 1 495 . 1 . 1 468 468 LEU HD13 H 1 -0.23 0.02 . 1 . . . . . 501 LEU HD1 . 51692 1 496 . 1 . 1 468 468 LEU HD21 H 1 0.633 0.02 . 1 . . . . . 501 LEU HD2 . 51692 1 497 . 1 . 1 468 468 LEU HD22 H 1 0.633 0.02 . 1 . . . . . 501 LEU HD2 . 51692 1 498 . 1 . 1 468 468 LEU HD23 H 1 0.633 0.02 . 1 . . . . . 501 LEU HD2 . 51692 1 499 . 1 . 1 468 468 LEU CD1 C 13 20.112 0.3 . 1 . . . . . 501 LEU CD1 . 51692 1 500 . 1 . 1 468 468 LEU CD2 C 13 27.311 0.3 . 1 . . . . . 501 LEU CD2 . 51692 1 501 . 1 . 1 472 472 ILE HD11 H 1 0.79 0.02 . 1 . . . . . 505 ILE HD1 . 51692 1 502 . 1 . 1 472 472 ILE HD12 H 1 0.79 0.02 . 1 . . . . . 505 ILE HD1 . 51692 1 503 . 1 . 1 472 472 ILE HD13 H 1 0.79 0.02 . 1 . . . . . 505 ILE HD1 . 51692 1 504 . 1 . 1 472 472 ILE CD1 C 13 11.846 0.3 . 1 . . . . . 505 ILE CD1 . 51692 1 505 . 1 . 1 477 477 LEU HD11 H 1 0.916 0.02 . 1 . . . . . 510 LEU HD1 . 51692 1 506 . 1 . 1 477 477 LEU HD12 H 1 0.916 0.02 . 1 . . . . . 510 LEU HD1 . 51692 1 507 . 1 . 1 477 477 LEU HD13 H 1 0.916 0.02 . 1 . . . . . 510 LEU HD1 . 51692 1 508 . 1 . 1 477 477 LEU HD21 H 1 0.978 0.02 . 1 . . . . . 510 LEU HD2 . 51692 1 509 . 1 . 1 477 477 LEU HD22 H 1 0.978 0.02 . 1 . . . . . 510 LEU HD2 . 51692 1 510 . 1 . 1 477 477 LEU HD23 H 1 0.978 0.02 . 1 . . . . . 510 LEU HD2 . 51692 1 511 . 1 . 1 477 477 LEU CD1 C 13 23.177 0.3 . 1 . . . . . 510 LEU CD1 . 51692 1 512 . 1 . 1 477 477 LEU CD2 C 13 20.227 0.3 . 1 . . . . . 510 LEU CD2 . 51692 1 513 . 1 . 1 479 479 LEU HD11 H 1 1.069 0.02 . 1 . . . . . 512 LEU HD1 . 51692 1 514 . 1 . 1 479 479 LEU HD12 H 1 1.069 0.02 . 1 . . . . . 512 LEU HD1 . 51692 1 515 . 1 . 1 479 479 LEU HD13 H 1 1.069 0.02 . 1 . . . . . 512 LEU HD1 . 51692 1 516 . 1 . 1 479 479 LEU CD1 C 13 21.308 0.3 . 1 . . . . . 512 LEU CD1 . 51692 1 517 . 1 . 1 481 481 ILE HD11 H 1 0.693 0.02 . 1 . . . . . 514 ILE HD1 . 51692 1 518 . 1 . 1 481 481 ILE HD12 H 1 0.693 0.02 . 1 . . . . . 514 ILE HD1 . 51692 1 519 . 1 . 1 481 481 ILE HD13 H 1 0.693 0.02 . 1 . . . . . 514 ILE HD1 . 51692 1 520 . 1 . 1 481 481 ILE CD1 C 13 11.758 0.3 . 1 . . . . . 514 ILE CD1 . 51692 1 521 . 1 . 1 488 488 ILE HD11 H 1 0.323 0.02 . 1 . . . . . 521 ILE HD1 . 51692 1 522 . 1 . 1 488 488 ILE HD12 H 1 0.323 0.02 . 1 . . . . . 521 ILE HD1 . 51692 1 523 . 1 . 1 488 488 ILE HD13 H 1 0.323 0.02 . 1 . . . . . 521 ILE HD1 . 51692 1 524 . 1 . 1 488 488 ILE CD1 C 13 11.723 0.3 . 1 . . . . . 521 ILE CD1 . 51692 1 525 . 1 . 1 498 498 ILE HD11 H 1 0.288 0.02 . 1 . . . . . 531 ILE HD1 . 51692 1 526 . 1 . 1 498 498 ILE HD12 H 1 0.288 0.02 . 1 . . . . . 531 ILE HD1 . 51692 1 527 . 1 . 1 498 498 ILE HD13 H 1 0.288 0.02 . 1 . . . . . 531 ILE HD1 . 51692 1 528 . 1 . 1 498 498 ILE CD1 C 13 11.038 0.3 . 1 . . . . . 531 ILE CD1 . 51692 1 529 . 1 . 1 499 499 LEU HD11 H 1 0.741 0.02 . 1 . . . . . 532 LEU HD1 . 51692 1 530 . 1 . 1 499 499 LEU HD12 H 1 0.741 0.02 . 1 . . . . . 532 LEU HD1 . 51692 1 531 . 1 . 1 499 499 LEU HD13 H 1 0.741 0.02 . 1 . . . . . 532 LEU HD1 . 51692 1 532 . 1 . 1 499 499 LEU HD21 H 1 1.066 0.02 . 1 . . . . . 532 LEU HD2 . 51692 1 533 . 1 . 1 499 499 LEU HD22 H 1 1.066 0.02 . 1 . . . . . 532 LEU HD2 . 51692 1 534 . 1 . 1 499 499 LEU HD23 H 1 1.066 0.02 . 1 . . . . . 532 LEU HD2 . 51692 1 535 . 1 . 1 499 499 LEU CD1 C 13 22.362 0.3 . 1 . . . . . 532 LEU CD1 . 51692 1 536 . 1 . 1 499 499 LEU CD2 C 13 23.035 0.3 . 1 . . . . . 532 LEU CD2 . 51692 1 537 . 1 . 1 500 500 LEU HD11 H 1 -0.136 0.02 . 1 . . . . . 533 LEU HD1 . 51692 1 538 . 1 . 1 500 500 LEU HD12 H 1 -0.136 0.02 . 1 . . . . . 533 LEU HD1 . 51692 1 539 . 1 . 1 500 500 LEU HD13 H 1 -0.136 0.02 . 1 . . . . . 533 LEU HD1 . 51692 1 540 . 1 . 1 500 500 LEU HD21 H 1 1.056 0.02 . 1 . . . . . 533 LEU HD2 . 51692 1 541 . 1 . 1 500 500 LEU HD22 H 1 1.056 0.02 . 1 . . . . . 533 LEU HD2 . 51692 1 542 . 1 . 1 500 500 LEU HD23 H 1 1.056 0.02 . 1 . . . . . 533 LEU HD2 . 51692 1 543 . 1 . 1 500 500 LEU CD1 C 13 21.902 0.3 . 1 . . . . . 533 LEU CD1 . 51692 1 544 . 1 . 1 500 500 LEU CD2 C 13 24.57 0.3 . 1 . . . . . 533 LEU CD2 . 51692 1 545 . 1 . 1 510 510 LEU HD11 H 1 0.758 0.02 . 1 . . . . . 543 LEU HD1 . 51692 1 546 . 1 . 1 510 510 LEU HD12 H 1 0.758 0.02 . 1 . . . . . 543 LEU HD1 . 51692 1 547 . 1 . 1 510 510 LEU HD13 H 1 0.758 0.02 . 1 . . . . . 543 LEU HD1 . 51692 1 548 . 1 . 1 510 510 LEU HD21 H 1 0.476 0.02 . 1 . . . . . 543 LEU HD2 . 51692 1 549 . 1 . 1 510 510 LEU HD22 H 1 0.476 0.02 . 1 . . . . . 543 LEU HD2 . 51692 1 550 . 1 . 1 510 510 LEU HD23 H 1 0.476 0.02 . 1 . . . . . 543 LEU HD2 . 51692 1 551 . 1 . 1 510 510 LEU CD1 C 13 18.769 0.3 . 1 . . . . . 543 LEU CD1 . 51692 1 552 . 1 . 1 510 510 LEU CD2 C 13 23.97 0.3 . 1 . . . . . 543 LEU CD2 . 51692 1 553 . 1 . 1 511 511 LEU HD11 H 1 0.683 0.02 . 1 . . . . . 544 LEU HD1 . 51692 1 554 . 1 . 1 511 511 LEU HD12 H 1 0.683 0.02 . 1 . . . . . 544 LEU HD1 . 51692 1 555 . 1 . 1 511 511 LEU HD13 H 1 0.683 0.02 . 1 . . . . . 544 LEU HD1 . 51692 1 556 . 1 . 1 511 511 LEU CD1 C 13 22.849 0.3 . 1 . . . . . 544 LEU CD1 . 51692 1 557 . 1 . 1 512 512 ILE HD11 H 1 0.754 0.02 . 1 . . . . . 545 ILE HD1 . 51692 1 558 . 1 . 1 512 512 ILE HD12 H 1 0.754 0.02 . 1 . . . . . 545 ILE HD1 . 51692 1 559 . 1 . 1 512 512 ILE HD13 H 1 0.754 0.02 . 1 . . . . . 545 ILE HD1 . 51692 1 560 . 1 . 1 512 512 ILE CD1 C 13 12.657 0.3 . 1 . . . . . 545 ILE CD1 . 51692 1 561 . 1 . 1 515 515 ILE HD11 H 1 0.855 0.02 . 1 . . . . . 548 ILE HD1 . 51692 1 562 . 1 . 1 515 515 ILE HD12 H 1 0.855 0.02 . 1 . . . . . 548 ILE HD1 . 51692 1 563 . 1 . 1 515 515 ILE HD13 H 1 0.855 0.02 . 1 . . . . . 548 ILE HD1 . 51692 1 564 . 1 . 1 515 515 ILE CD1 C 13 12.043 0.3 . 1 . . . . . 548 ILE CD1 . 51692 1 565 . 1 . 1 523 523 VAL HG11 H 1 0.848 0.02 . 1 . . . . . 556 VAL HG1 . 51692 1 566 . 1 . 1 523 523 VAL HG12 H 1 0.848 0.02 . 1 . . . . . 556 VAL HG1 . 51692 1 567 . 1 . 1 523 523 VAL HG13 H 1 0.848 0.02 . 1 . . . . . 556 VAL HG1 . 51692 1 568 . 1 . 1 523 523 VAL HG21 H 1 0.832 0.02 . 1 . . . . . 556 VAL HG2 . 51692 1 569 . 1 . 1 523 523 VAL HG22 H 1 0.832 0.02 . 1 . . . . . 556 VAL HG2 . 51692 1 570 . 1 . 1 523 523 VAL HG23 H 1 0.832 0.02 . 1 . . . . . 556 VAL HG2 . 51692 1 571 . 1 . 1 523 523 VAL CG1 C 13 20.257 0.3 . 1 . . . . . 556 VAL CG1 . 51692 1 572 . 1 . 1 523 523 VAL CG2 C 13 18.901 0.3 . 1 . . . . . 556 VAL CG2 . 51692 1 573 . 1 . 1 530 530 LEU HD11 H 1 0.567 0.02 . 1 . . . . . 563 LEU HD1 . 51692 1 574 . 1 . 1 530 530 LEU HD12 H 1 0.567 0.02 . 1 . . . . . 563 LEU HD1 . 51692 1 575 . 1 . 1 530 530 LEU HD13 H 1 0.567 0.02 . 1 . . . . . 563 LEU HD1 . 51692 1 576 . 1 . 1 530 530 LEU CD1 C 13 20.117 0.3 . 1 . . . . . 563 LEU CD1 . 51692 1 577 . 1 . 1 531 531 VAL HG11 H 1 0.706 0.02 . 1 . . . . . 564 VAL HG1 . 51692 1 578 . 1 . 1 531 531 VAL HG12 H 1 0.706 0.02 . 1 . . . . . 564 VAL HG1 . 51692 1 579 . 1 . 1 531 531 VAL HG13 H 1 0.706 0.02 . 1 . . . . . 564 VAL HG1 . 51692 1 580 . 1 . 1 531 531 VAL HG21 H 1 0.542 0.02 . 1 . . . . . 564 VAL HG2 . 51692 1 581 . 1 . 1 531 531 VAL HG22 H 1 0.542 0.02 . 1 . . . . . 564 VAL HG2 . 51692 1 582 . 1 . 1 531 531 VAL HG23 H 1 0.542 0.02 . 1 . . . . . 564 VAL HG2 . 51692 1 583 . 1 . 1 531 531 VAL CG1 C 13 19.141 0.3 . 1 . . . . . 564 VAL CG1 . 51692 1 584 . 1 . 1 531 531 VAL CG2 C 13 18.238 0.3 . 1 . . . . . 564 VAL CG2 . 51692 1 585 . 1 . 1 535 535 LEU HD11 H 1 0.902 0.02 . 1 . . . . . 568 LEU HD1 . 51692 1 586 . 1 . 1 535 535 LEU HD12 H 1 0.902 0.02 . 1 . . . . . 568 LEU HD1 . 51692 1 587 . 1 . 1 535 535 LEU HD13 H 1 0.902 0.02 . 1 . . . . . 568 LEU HD1 . 51692 1 588 . 1 . 1 535 535 LEU HD21 H 1 0.689 0.02 . 1 . . . . . 568 LEU HD2 . 51692 1 589 . 1 . 1 535 535 LEU HD22 H 1 0.689 0.02 . 1 . . . . . 568 LEU HD2 . 51692 1 590 . 1 . 1 535 535 LEU HD23 H 1 0.689 0.02 . 1 . . . . . 568 LEU HD2 . 51692 1 591 . 1 . 1 535 535 LEU CD1 C 13 23.53 0.3 . 1 . . . . . 568 LEU CD1 . 51692 1 592 . 1 . 1 535 535 LEU CD2 C 13 18.336 0.3 . 1 . . . . . 568 LEU CD2 . 51692 1 593 . 1 . 1 536 536 ILE HD11 H 1 0.727 0.02 . 1 . . . . . 569 ILE HD1 . 51692 1 594 . 1 . 1 536 536 ILE HD12 H 1 0.727 0.02 . 1 . . . . . 569 ILE HD1 . 51692 1 595 . 1 . 1 536 536 ILE HD13 H 1 0.727 0.02 . 1 . . . . . 569 ILE HD1 . 51692 1 596 . 1 . 1 536 536 ILE CD1 C 13 7.598 0.3 . 1 . . . . . 569 ILE CD1 . 51692 1 597 . 1 . 1 547 547 VAL HG11 H 1 0.638 0.02 . 1 . . . . . 580 VAL HG1 . 51692 1 598 . 1 . 1 547 547 VAL HG12 H 1 0.638 0.02 . 1 . . . . . 580 VAL HG1 . 51692 1 599 . 1 . 1 547 547 VAL HG13 H 1 0.638 0.02 . 1 . . . . . 580 VAL HG1 . 51692 1 600 . 1 . 1 547 547 VAL HG21 H 1 -0.403 0.02 . 1 . . . . . 580 VAL HG2 . 51692 1 601 . 1 . 1 547 547 VAL HG22 H 1 -0.403 0.02 . 1 . . . . . 580 VAL HG2 . 51692 1 602 . 1 . 1 547 547 VAL HG23 H 1 -0.403 0.02 . 1 . . . . . 580 VAL HG2 . 51692 1 603 . 1 . 1 547 547 VAL CG1 C 13 20.547 0.3 . 1 . . . . . 580 VAL CG1 . 51692 1 604 . 1 . 1 547 547 VAL CG2 C 13 16.913 0.3 . 1 . . . . . 580 VAL CG2 . 51692 1 605 . 1 . 1 548 548 ILE HD11 H 1 0.961 0.02 . 1 . . . . . 581 ILE HD1 . 51692 1 606 . 1 . 1 548 548 ILE HD12 H 1 0.961 0.02 . 1 . . . . . 581 ILE HD1 . 51692 1 607 . 1 . 1 548 548 ILE HD13 H 1 0.961 0.02 . 1 . . . . . 581 ILE HD1 . 51692 1 608 . 1 . 1 548 548 ILE CD1 C 13 11.082 0.3 . 1 . . . . . 581 ILE CD1 . 51692 1 609 . 1 . 1 553 553 VAL HG11 H 1 1.242 0.02 . 1 . . . . . 586 VAL HG1 . 51692 1 610 . 1 . 1 553 553 VAL HG12 H 1 1.242 0.02 . 1 . . . . . 586 VAL HG1 . 51692 1 611 . 1 . 1 553 553 VAL HG13 H 1 1.242 0.02 . 1 . . . . . 586 VAL HG1 . 51692 1 612 . 1 . 1 553 553 VAL HG21 H 1 0.215 0.02 . 1 . . . . . 586 VAL HG2 . 51692 1 613 . 1 . 1 553 553 VAL HG22 H 1 0.215 0.02 . 1 . . . . . 586 VAL HG2 . 51692 1 614 . 1 . 1 553 553 VAL HG23 H 1 0.215 0.02 . 1 . . . . . 586 VAL HG2 . 51692 1 615 . 1 . 1 553 553 VAL CG1 C 13 20.207 0.3 . 1 . . . . . 586 VAL CG1 . 51692 1 616 . 1 . 1 553 553 VAL CG2 C 13 13.798 0.3 . 1 . . . . . 586 VAL CG2 . 51692 1 617 . 1 . 1 556 556 ILE HD11 H 1 0.477 0.02 . 1 . . . . . 589 ILE HD1 . 51692 1 618 . 1 . 1 556 556 ILE HD12 H 1 0.477 0.02 . 1 . . . . . 589 ILE HD1 . 51692 1 619 . 1 . 1 556 556 ILE HD13 H 1 0.477 0.02 . 1 . . . . . 589 ILE HD1 . 51692 1 620 . 1 . 1 556 556 ILE CD1 C 13 11.73 0.3 . 1 . . . . . 589 ILE CD1 . 51692 1 621 . 1 . 1 557 557 VAL HG11 H 1 1.586 0.02 . 1 . . . . . 590 VAL HG1 . 51692 1 622 . 1 . 1 557 557 VAL HG12 H 1 1.586 0.02 . 1 . . . . . 590 VAL HG1 . 51692 1 623 . 1 . 1 557 557 VAL HG13 H 1 1.586 0.02 . 1 . . . . . 590 VAL HG1 . 51692 1 624 . 1 . 1 557 557 VAL HG21 H 1 1.079 0.02 . 1 . . . . . 590 VAL HG2 . 51692 1 625 . 1 . 1 557 557 VAL HG22 H 1 1.079 0.02 . 1 . . . . . 590 VAL HG2 . 51692 1 626 . 1 . 1 557 557 VAL HG23 H 1 1.079 0.02 . 1 . . . . . 590 VAL HG2 . 51692 1 627 . 1 . 1 557 557 VAL CG1 C 13 23.158 0.3 . 1 . . . . . 590 VAL CG1 . 51692 1 628 . 1 . 1 557 557 VAL CG2 C 13 19.036 0.3 . 1 . . . . . 590 VAL CG2 . 51692 1 629 . 1 . 1 560 560 LEU HD11 H 1 1.302 0.02 . 1 . . . . . 593 LEU HD1 . 51692 1 630 . 1 . 1 560 560 LEU HD12 H 1 1.302 0.02 . 1 . . . . . 593 LEU HD1 . 51692 1 631 . 1 . 1 560 560 LEU HD13 H 1 1.302 0.02 . 1 . . . . . 593 LEU HD1 . 51692 1 632 . 1 . 1 560 560 LEU HD21 H 1 1.298 0.02 . 1 . . . . . 593 LEU HD2 . 51692 1 633 . 1 . 1 560 560 LEU HD22 H 1 1.298 0.02 . 1 . . . . . 593 LEU HD2 . 51692 1 634 . 1 . 1 560 560 LEU HD23 H 1 1.298 0.02 . 1 . . . . . 593 LEU HD2 . 51692 1 635 . 1 . 1 560 560 LEU CD1 C 13 18.427 0.3 . 1 . . . . . 593 LEU CD1 . 51692 1 636 . 1 . 1 560 560 LEU CD2 C 13 19.106 0.3 . 1 . . . . . 593 LEU CD2 . 51692 1 637 . 1 . 1 563 563 VAL HG11 H 1 1.315 0.02 . 1 . . . . . 596 VAL HG1 . 51692 1 638 . 1 . 1 563 563 VAL HG12 H 1 1.315 0.02 . 1 . . . . . 596 VAL HG1 . 51692 1 639 . 1 . 1 563 563 VAL HG13 H 1 1.315 0.02 . 1 . . . . . 596 VAL HG1 . 51692 1 640 . 1 . 1 563 563 VAL HG21 H 1 1.066 0.02 . 1 . . . . . 596 VAL HG2 . 51692 1 641 . 1 . 1 563 563 VAL HG22 H 1 1.066 0.02 . 1 . . . . . 596 VAL HG2 . 51692 1 642 . 1 . 1 563 563 VAL HG23 H 1 1.066 0.02 . 1 . . . . . 596 VAL HG2 . 51692 1 643 . 1 . 1 563 563 VAL CG1 C 13 20.726 0.3 . 1 . . . . . 596 VAL CG1 . 51692 1 644 . 1 . 1 563 563 VAL CG2 C 13 20.626 0.3 . 1 . . . . . 596 VAL CG2 . 51692 1 645 . 1 . 1 564 564 VAL HG11 H 1 0.713 0.02 . 1 . . . . . 597 VAL HG1 . 51692 1 646 . 1 . 1 564 564 VAL HG12 H 1 0.713 0.02 . 1 . . . . . 597 VAL HG1 . 51692 1 647 . 1 . 1 564 564 VAL HG13 H 1 0.713 0.02 . 1 . . . . . 597 VAL HG1 . 51692 1 648 . 1 . 1 564 564 VAL HG21 H 1 0.667 0.02 . 1 . . . . . 597 VAL HG2 . 51692 1 649 . 1 . 1 564 564 VAL HG22 H 1 0.667 0.02 . 1 . . . . . 597 VAL HG2 . 51692 1 650 . 1 . 1 564 564 VAL HG23 H 1 0.667 0.02 . 1 . . . . . 597 VAL HG2 . 51692 1 651 . 1 . 1 564 564 VAL CG1 C 13 18.094 0.3 . 1 . . . . . 597 VAL CG1 . 51692 1 652 . 1 . 1 564 564 VAL CG2 C 13 20.286 0.3 . 1 . . . . . 597 VAL CG2 . 51692 1 653 . 1 . 1 567 567 VAL HG11 H 1 0.702 0.02 . 1 . . . . . 600 VAL HG1 . 51692 1 654 . 1 . 1 567 567 VAL HG12 H 1 0.702 0.02 . 1 . . . . . 600 VAL HG1 . 51692 1 655 . 1 . 1 567 567 VAL HG13 H 1 0.702 0.02 . 1 . . . . . 600 VAL HG1 . 51692 1 656 . 1 . 1 567 567 VAL HG21 H 1 0.5 0.02 . 1 . . . . . 600 VAL HG2 . 51692 1 657 . 1 . 1 567 567 VAL HG22 H 1 0.5 0.02 . 1 . . . . . 600 VAL HG2 . 51692 1 658 . 1 . 1 567 567 VAL HG23 H 1 0.5 0.02 . 1 . . . . . 600 VAL HG2 . 51692 1 659 . 1 . 1 567 567 VAL CG1 C 13 19.819 0.3 . 1 . . . . . 600 VAL CG1 . 51692 1 660 . 1 . 1 567 567 VAL CG2 C 13 18.584 0.3 . 1 . . . . . 600 VAL CG2 . 51692 1 661 . 1 . 1 577 577 LEU HD11 H 1 0.809 0.02 . 1 . . . . . 610 LEU HD1 . 51692 1 662 . 1 . 1 577 577 LEU HD12 H 1 0.809 0.02 . 1 . . . . . 610 LEU HD1 . 51692 1 663 . 1 . 1 577 577 LEU HD13 H 1 0.809 0.02 . 1 . . . . . 610 LEU HD1 . 51692 1 664 . 1 . 1 577 577 LEU HD21 H 1 0.717 0.02 . 1 . . . . . 610 LEU HD2 . 51692 1 665 . 1 . 1 577 577 LEU HD22 H 1 0.717 0.02 . 1 . . . . . 610 LEU HD2 . 51692 1 666 . 1 . 1 577 577 LEU HD23 H 1 0.717 0.02 . 1 . . . . . 610 LEU HD2 . 51692 1 667 . 1 . 1 577 577 LEU CD1 C 13 23.437 0.3 . 1 . . . . . 610 LEU CD1 . 51692 1 668 . 1 . 1 577 577 LEU CD2 C 13 19.653 0.3 . 1 . . . . . 610 LEU CD2 . 51692 1 669 . 1 . 1 579 579 ILE HD11 H 1 0.675 0.02 . 1 . . . . . 612 ILE HD1 . 51692 1 670 . 1 . 1 579 579 ILE HD12 H 1 0.675 0.02 . 1 . . . . . 612 ILE HD1 . 51692 1 671 . 1 . 1 579 579 ILE HD13 H 1 0.675 0.02 . 1 . . . . . 612 ILE HD1 . 51692 1 672 . 1 . 1 579 579 ILE CD1 C 13 10.711 0.3 . 1 . . . . . 612 ILE CD1 . 51692 1 673 . 1 . 1 581 581 LEU HD11 H 1 0.801 0.02 . 1 . . . . . 614 LEU HD1 . 51692 1 674 . 1 . 1 581 581 LEU HD12 H 1 0.801 0.02 . 1 . . . . . 614 LEU HD1 . 51692 1 675 . 1 . 1 581 581 LEU HD13 H 1 0.801 0.02 . 1 . . . . . 614 LEU HD1 . 51692 1 676 . 1 . 1 581 581 LEU HD21 H 1 0.859 0.02 . 1 . . . . . 614 LEU HD2 . 51692 1 677 . 1 . 1 581 581 LEU HD22 H 1 0.859 0.02 . 1 . . . . . 614 LEU HD2 . 51692 1 678 . 1 . 1 581 581 LEU HD23 H 1 0.859 0.02 . 1 . . . . . 614 LEU HD2 . 51692 1 679 . 1 . 1 581 581 LEU CD1 C 13 23.021 0.3 . 1 . . . . . 614 LEU CD1 . 51692 1 680 . 1 . 1 581 581 LEU CD2 C 13 23.989 0.3 . 1 . . . . . 614 LEU CD2 . 51692 1 681 . 1 . 1 590 590 ILE HD11 H 1 0.867 0.02 . 1 . . . . . 623 ILE HD1 . 51692 1 682 . 1 . 1 590 590 ILE HD12 H 1 0.867 0.02 . 1 . . . . . 623 ILE HD1 . 51692 1 683 . 1 . 1 590 590 ILE HD13 H 1 0.867 0.02 . 1 . . . . . 623 ILE HD1 . 51692 1 684 . 1 . 1 590 590 ILE CD1 C 13 9.376 0.3 . 1 . . . . . 623 ILE CD1 . 51692 1 685 . 1 . 1 596 596 VAL HG11 H 1 0.932 0.02 . 1 . . . . . 629 VAL HG1 . 51692 1 686 . 1 . 1 596 596 VAL HG12 H 1 0.932 0.02 . 1 . . . . . 629 VAL HG1 . 51692 1 687 . 1 . 1 596 596 VAL HG13 H 1 0.932 0.02 . 1 . . . . . 629 VAL HG1 . 51692 1 688 . 1 . 1 596 596 VAL HG21 H 1 0.773 0.02 . 1 . . . . . 629 VAL HG2 . 51692 1 689 . 1 . 1 596 596 VAL HG22 H 1 0.773 0.02 . 1 . . . . . 629 VAL HG2 . 51692 1 690 . 1 . 1 596 596 VAL HG23 H 1 0.773 0.02 . 1 . . . . . 629 VAL HG2 . 51692 1 691 . 1 . 1 596 596 VAL CG1 C 13 17.619 0.3 . 1 . . . . . 629 VAL CG1 . 51692 1 692 . 1 . 1 596 596 VAL CG2 C 13 18.313 0.3 . 1 . . . . . 629 VAL CG2 . 51692 1 693 . 1 . 1 604 604 LEU HD11 H 1 0.928 0.02 . 1 . . . . . 637 LEU HD1 . 51692 1 694 . 1 . 1 604 604 LEU HD12 H 1 0.928 0.02 . 1 . . . . . 637 LEU HD1 . 51692 1 695 . 1 . 1 604 604 LEU HD13 H 1 0.928 0.02 . 1 . . . . . 637 LEU HD1 . 51692 1 696 . 1 . 1 604 604 LEU HD21 H 1 0.817 0.02 . 1 . . . . . 637 LEU HD2 . 51692 1 697 . 1 . 1 604 604 LEU HD22 H 1 0.817 0.02 . 1 . . . . . 637 LEU HD2 . 51692 1 698 . 1 . 1 604 604 LEU HD23 H 1 0.817 0.02 . 1 . . . . . 637 LEU HD2 . 51692 1 699 . 1 . 1 604 604 LEU CD1 C 13 19.549 0.3 . 1 . . . . . 637 LEU CD1 . 51692 1 700 . 1 . 1 604 604 LEU CD2 C 13 24.306 0.3 . 1 . . . . . 637 LEU CD2 . 51692 1 701 . 1 . 1 617 617 VAL HG11 H 1 0.975 0.02 . 1 . . . . . 650 VAL HG1 . 51692 1 702 . 1 . 1 617 617 VAL HG12 H 1 0.975 0.02 . 1 . . . . . 650 VAL HG1 . 51692 1 703 . 1 . 1 617 617 VAL HG13 H 1 0.975 0.02 . 1 . . . . . 650 VAL HG1 . 51692 1 704 . 1 . 1 617 617 VAL HG21 H 1 -0.113 0.02 . 1 . . . . . 650 VAL HG2 . 51692 1 705 . 1 . 1 617 617 VAL HG22 H 1 -0.113 0.02 . 1 . . . . . 650 VAL HG2 . 51692 1 706 . 1 . 1 617 617 VAL HG23 H 1 -0.113 0.02 . 1 . . . . . 650 VAL HG2 . 51692 1 707 . 1 . 1 617 617 VAL CG1 C 13 19.362 0.3 . 1 . . . . . 650 VAL CG1 . 51692 1 708 . 1 . 1 617 617 VAL CG2 C 13 16.682 0.3 . 1 . . . . . 650 VAL CG2 . 51692 1 709 . 1 . 1 636 636 LEU HD11 H 1 0.778 0.02 . 1 . . . . . 669 LEU HD1 . 51692 1 710 . 1 . 1 636 636 LEU HD12 H 1 0.778 0.02 . 1 . . . . . 669 LEU HD1 . 51692 1 711 . 1 . 1 636 636 LEU HD13 H 1 0.778 0.02 . 1 . . . . . 669 LEU HD1 . 51692 1 712 . 1 . 1 636 636 LEU HD21 H 1 0.77 0.02 . 1 . . . . . 669 LEU HD2 . 51692 1 713 . 1 . 1 636 636 LEU HD22 H 1 0.77 0.02 . 1 . . . . . 669 LEU HD2 . 51692 1 714 . 1 . 1 636 636 LEU HD23 H 1 0.77 0.02 . 1 . . . . . 669 LEU HD2 . 51692 1 715 . 1 . 1 636 636 LEU CD1 C 13 20.872 0.3 . 1 . . . . . 669 LEU CD1 . 51692 1 716 . 1 . 1 636 636 LEU CD2 C 13 23.828 0.3 . 1 . . . . . 669 LEU CD2 . 51692 1 717 . 1 . 1 637 637 LEU HD11 H 1 0.566 0.02 . 1 . . . . . 670 LEU HD1 . 51692 1 718 . 1 . 1 637 637 LEU HD12 H 1 0.566 0.02 . 1 . . . . . 670 LEU HD1 . 51692 1 719 . 1 . 1 637 637 LEU HD13 H 1 0.566 0.02 . 1 . . . . . 670 LEU HD1 . 51692 1 720 . 1 . 1 637 637 LEU HD21 H 1 0.943 0.02 . 1 . . . . . 670 LEU HD2 . 51692 1 721 . 1 . 1 637 637 LEU HD22 H 1 0.943 0.02 . 1 . . . . . 670 LEU HD2 . 51692 1 722 . 1 . 1 637 637 LEU HD23 H 1 0.943 0.02 . 1 . . . . . 670 LEU HD2 . 51692 1 723 . 1 . 1 637 637 LEU CD1 C 13 24.01 0.3 . 1 . . . . . 670 LEU CD1 . 51692 1 724 . 1 . 1 637 637 LEU CD2 C 13 20.814 0.3 . 1 . . . . . 670 LEU CD2 . 51692 1 725 . 1 . 1 640 640 LEU HD11 H 1 -0.047 0.02 . 1 . . . . . 673 LEU HD1 . 51692 1 726 . 1 . 1 640 640 LEU HD12 H 1 -0.047 0.02 . 1 . . . . . 673 LEU HD1 . 51692 1 727 . 1 . 1 640 640 LEU HD13 H 1 -0.047 0.02 . 1 . . . . . 673 LEU HD1 . 51692 1 728 . 1 . 1 640 640 LEU CD1 C 13 21.079 0.3 . 1 . . . . . 673 LEU CD1 . 51692 1 stop_ save_