data_51913 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51913 _Entry.Title ; Backbone 1H, 13C and 15N resonance assignment of the Ubiquitin Specific Protease 7 catalytic domain (residues 208-554) in a complex with small molecule ligand ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-04-16 _Entry.Accession_date 2023-04-16 _Entry.Last_release_date 2023-04-17 _Entry.Original_release_date 2023-04-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _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 Wojciech Augustyniak . . . . 51913 2 Maya Pandya . . . . 51913 3 Matthew Cliff . . . . 51913 4 Ilka Lindner . . . . 51913 5 Anne Stinn . . . . 51913 6 Jan Kahmann . . . . 51913 7 Koen Temmerman . . . . 51913 8 Jonathan Waltho . P. . . 51913 9 Martin Watson . J. . . 51913 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'C4X Discovery' . 51913 2 . 'Manchester Institute for Biotechnology, University of Manchester, UK' . 51913 3 . Evotec . 51913 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51913 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 553 51913 '15N chemical shifts' 294 51913 '1H chemical shifts' 294 51913 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2023-12-05 . original BMRB . 51913 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51912 'Ubiquitin Specific Protease 7 catalytic domain (residues 208-554), apo form' 51913 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51913 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone 1H, 13C and 15N resonance assignment of the Ubiquitin Specific Protease 7 catalytic domain (residues 208-554) in a complex with small molecule ligand ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Maya Pandya . . . . 51913 1 2 Wojciech Augustyniak . . . . 51913 1 3 Matthew Cliff . . . . 51913 1 4 Ilka Lindner . . . . 51913 1 5 Anne Stinn . . . . 51913 1 6 Jan Kahmann . . . . 51913 1 7 Koen Temmerman . . . . 51913 1 8 Jonathan Waltho . P. . . 51913 1 9 Martin Watson . J. . . 51913 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51913 _Assembly.ID 1 _Assembly.Name 'Ubiquitin Specific Protease 7 catalytic domain (residues 208-554) in a complex with small molecule ligand' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 1 _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 41018 _Assembly.Enzyme_commission_number 3.4.19.12 _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 'Ubiquitin Specific Protease 7 catalytic domain (residues 208-554)' 1 $entity_1 . . yes native no no 1 . . 51913 1 2 'Compound 21' 2 $entity_2 . . no na no no . . . 51913 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51913 _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 ; GSHMKKHTGYVGLKNQGATC YMNSLLQTLFFTNQLRKAVY MMPTEGDDSSKSVPLALQRV FYELQHSDKPVGTKKLTKSF GWETLDSFMQHDVQELCRVL LDNVENKMKGTCVEGTIPKL FRGKMVSYIQCKEVDYRSDR REDYYDIQLSIKGKKNIFES FVDYVAVEQLDGDNKYDAGE HGLQEAEKGVKFLTLPPVLH LQLMRFMYDPQTDQNIKIND RFEFPEQLPLDEFLQKTDPK DPANYILHAVLVHSGDNHGG HYVVYLNPKGDGKWCKFDDD VVSRCTKEEAIEHNYGGHDD DLSVRHCTNAYMLVYIRESK LSEVLQAVTDHDIPQQLVER LQEEKRIEAQK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 351 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'catalytic domain' _Entity.Mutation . _Entity.EC_number 3.4.19.12 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40530 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q93009 . 'ubiquitin carboxyl-terminal hydrolase 7' . . . . . . . . . . . . . . 51913 1 2 yes NCBI 7874 . 'ubiquitin specific peptidase 7' . . . . . . . . . . . . . . 51913 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'The protein deubiquitinates target proteins such as p53.' 51913 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 204 GLY . 51913 1 2 205 SER . 51913 1 3 206 HIS . 51913 1 4 207 MET . 51913 1 5 208 LYS . 51913 1 6 209 LYS . 51913 1 7 210 HIS . 51913 1 8 211 THR . 51913 1 9 212 GLY . 51913 1 10 213 TYR . 51913 1 11 214 VAL . 51913 1 12 215 GLY . 51913 1 13 216 LEU . 51913 1 14 217 LYS . 51913 1 15 218 ASN . 51913 1 16 219 GLN . 51913 1 17 220 GLY . 51913 1 18 221 ALA . 51913 1 19 222 THR . 51913 1 20 223 CYS . 51913 1 21 224 TYR . 51913 1 22 225 MET . 51913 1 23 226 ASN . 51913 1 24 227 SER . 51913 1 25 228 LEU . 51913 1 26 229 LEU . 51913 1 27 230 GLN . 51913 1 28 231 THR . 51913 1 29 232 LEU . 51913 1 30 233 PHE . 51913 1 31 234 PHE . 51913 1 32 235 THR . 51913 1 33 236 ASN . 51913 1 34 237 GLN . 51913 1 35 238 LEU . 51913 1 36 239 ARG . 51913 1 37 240 LYS . 51913 1 38 241 ALA . 51913 1 39 242 VAL . 51913 1 40 243 TYR . 51913 1 41 244 MET . 51913 1 42 245 MET . 51913 1 43 246 PRO . 51913 1 44 247 THR . 51913 1 45 248 GLU . 51913 1 46 249 GLY . 51913 1 47 250 ASP . 51913 1 48 251 ASP . 51913 1 49 252 SER . 51913 1 50 253 SER . 51913 1 51 254 LYS . 51913 1 52 255 SER . 51913 1 53 256 VAL . 51913 1 54 257 PRO . 51913 1 55 258 LEU . 51913 1 56 259 ALA . 51913 1 57 260 LEU . 51913 1 58 261 GLN . 51913 1 59 262 ARG . 51913 1 60 263 VAL . 51913 1 61 264 PHE . 51913 1 62 265 TYR . 51913 1 63 266 GLU . 51913 1 64 267 LEU . 51913 1 65 268 GLN . 51913 1 66 269 HIS . 51913 1 67 270 SER . 51913 1 68 271 ASP . 51913 1 69 272 LYS . 51913 1 70 273 PRO . 51913 1 71 274 VAL . 51913 1 72 275 GLY . 51913 1 73 276 THR . 51913 1 74 277 LYS . 51913 1 75 278 LYS . 51913 1 76 279 LEU . 51913 1 77 280 THR . 51913 1 78 281 LYS . 51913 1 79 282 SER . 51913 1 80 283 PHE . 51913 1 81 284 GLY . 51913 1 82 285 TRP . 51913 1 83 286 GLU . 51913 1 84 287 THR . 51913 1 85 288 LEU . 51913 1 86 289 ASP . 51913 1 87 290 SER . 51913 1 88 291 PHE . 51913 1 89 292 MET . 51913 1 90 293 GLN . 51913 1 91 294 HIS . 51913 1 92 295 ASP . 51913 1 93 296 VAL . 51913 1 94 297 GLN . 51913 1 95 298 GLU . 51913 1 96 299 LEU . 51913 1 97 300 CYS . 51913 1 98 301 ARG . 51913 1 99 302 VAL . 51913 1 100 303 LEU . 51913 1 101 304 LEU . 51913 1 102 305 ASP . 51913 1 103 306 ASN . 51913 1 104 307 VAL . 51913 1 105 308 GLU . 51913 1 106 309 ASN . 51913 1 107 310 LYS . 51913 1 108 311 MET . 51913 1 109 312 LYS . 51913 1 110 313 GLY . 51913 1 111 314 THR . 51913 1 112 315 CYS . 51913 1 113 316 VAL . 51913 1 114 317 GLU . 51913 1 115 318 GLY . 51913 1 116 319 THR . 51913 1 117 320 ILE . 51913 1 118 321 PRO . 51913 1 119 322 LYS . 51913 1 120 323 LEU . 51913 1 121 324 PHE . 51913 1 122 325 ARG . 51913 1 123 326 GLY . 51913 1 124 327 LYS . 51913 1 125 328 MET . 51913 1 126 329 VAL . 51913 1 127 330 SER . 51913 1 128 331 TYR . 51913 1 129 332 ILE . 51913 1 130 333 GLN . 51913 1 131 334 CYS . 51913 1 132 335 LYS . 51913 1 133 336 GLU . 51913 1 134 337 VAL . 51913 1 135 338 ASP . 51913 1 136 339 TYR . 51913 1 137 340 ARG . 51913 1 138 341 SER . 51913 1 139 342 ASP . 51913 1 140 343 ARG . 51913 1 141 344 ARG . 51913 1 142 345 GLU . 51913 1 143 346 ASP . 51913 1 144 347 TYR . 51913 1 145 348 TYR . 51913 1 146 349 ASP . 51913 1 147 350 ILE . 51913 1 148 351 GLN . 51913 1 149 352 LEU . 51913 1 150 353 SER . 51913 1 151 354 ILE . 51913 1 152 355 LYS . 51913 1 153 356 GLY . 51913 1 154 357 LYS . 51913 1 155 358 LYS . 51913 1 156 359 ASN . 51913 1 157 360 ILE . 51913 1 158 361 PHE . 51913 1 159 362 GLU . 51913 1 160 363 SER . 51913 1 161 364 PHE . 51913 1 162 365 VAL . 51913 1 163 366 ASP . 51913 1 164 367 TYR . 51913 1 165 368 VAL . 51913 1 166 369 ALA . 51913 1 167 370 VAL . 51913 1 168 371 GLU . 51913 1 169 372 GLN . 51913 1 170 373 LEU . 51913 1 171 374 ASP . 51913 1 172 375 GLY . 51913 1 173 376 ASP . 51913 1 174 377 ASN . 51913 1 175 378 LYS . 51913 1 176 379 TYR . 51913 1 177 380 ASP . 51913 1 178 381 ALA . 51913 1 179 382 GLY . 51913 1 180 383 GLU . 51913 1 181 384 HIS . 51913 1 182 385 GLY . 51913 1 183 386 LEU . 51913 1 184 387 GLN . 51913 1 185 388 GLU . 51913 1 186 389 ALA . 51913 1 187 390 GLU . 51913 1 188 391 LYS . 51913 1 189 392 GLY . 51913 1 190 393 VAL . 51913 1 191 394 LYS . 51913 1 192 395 PHE . 51913 1 193 396 LEU . 51913 1 194 397 THR . 51913 1 195 398 LEU . 51913 1 196 399 PRO . 51913 1 197 400 PRO . 51913 1 198 401 VAL . 51913 1 199 402 LEU . 51913 1 200 403 HIS . 51913 1 201 404 LEU . 51913 1 202 405 GLN . 51913 1 203 406 LEU . 51913 1 204 407 MET . 51913 1 205 408 ARG . 51913 1 206 409 PHE . 51913 1 207 410 MET . 51913 1 208 411 TYR . 51913 1 209 412 ASP . 51913 1 210 413 PRO . 51913 1 211 414 GLN . 51913 1 212 415 THR . 51913 1 213 416 ASP . 51913 1 214 417 GLN . 51913 1 215 418 ASN . 51913 1 216 419 ILE . 51913 1 217 420 LYS . 51913 1 218 421 ILE . 51913 1 219 422 ASN . 51913 1 220 423 ASP . 51913 1 221 424 ARG . 51913 1 222 425 PHE . 51913 1 223 426 GLU . 51913 1 224 427 PHE . 51913 1 225 428 PRO . 51913 1 226 429 GLU . 51913 1 227 430 GLN . 51913 1 228 431 LEU . 51913 1 229 432 PRO . 51913 1 230 433 LEU . 51913 1 231 434 ASP . 51913 1 232 435 GLU . 51913 1 233 436 PHE . 51913 1 234 437 LEU . 51913 1 235 438 GLN . 51913 1 236 439 LYS . 51913 1 237 440 THR . 51913 1 238 441 ASP . 51913 1 239 442 PRO . 51913 1 240 443 LYS . 51913 1 241 444 ASP . 51913 1 242 445 PRO . 51913 1 243 446 ALA . 51913 1 244 447 ASN . 51913 1 245 448 TYR . 51913 1 246 449 ILE . 51913 1 247 450 LEU . 51913 1 248 451 HIS . 51913 1 249 452 ALA . 51913 1 250 453 VAL . 51913 1 251 454 LEU . 51913 1 252 455 VAL . 51913 1 253 456 HIS . 51913 1 254 457 SER . 51913 1 255 458 GLY . 51913 1 256 459 ASP . 51913 1 257 460 ASN . 51913 1 258 461 HIS . 51913 1 259 462 GLY . 51913 1 260 463 GLY . 51913 1 261 464 HIS . 51913 1 262 465 TYR . 51913 1 263 466 VAL . 51913 1 264 467 VAL . 51913 1 265 468 TYR . 51913 1 266 469 LEU . 51913 1 267 470 ASN . 51913 1 268 471 PRO . 51913 1 269 472 LYS . 51913 1 270 473 GLY . 51913 1 271 474 ASP . 51913 1 272 475 GLY . 51913 1 273 476 LYS . 51913 1 274 477 TRP . 51913 1 275 478 CYS . 51913 1 276 479 LYS . 51913 1 277 480 PHE . 51913 1 278 481 ASP . 51913 1 279 482 ASP . 51913 1 280 483 ASP . 51913 1 281 484 VAL . 51913 1 282 485 VAL . 51913 1 283 486 SER . 51913 1 284 487 ARG . 51913 1 285 488 CYS . 51913 1 286 489 THR . 51913 1 287 490 LYS . 51913 1 288 491 GLU . 51913 1 289 492 GLU . 51913 1 290 493 ALA . 51913 1 291 494 ILE . 51913 1 292 495 GLU . 51913 1 293 496 HIS . 51913 1 294 497 ASN . 51913 1 295 498 TYR . 51913 1 296 499 GLY . 51913 1 297 500 GLY . 51913 1 298 501 HIS . 51913 1 299 502 ASP . 51913 1 300 503 ASP . 51913 1 301 504 ASP . 51913 1 302 505 LEU . 51913 1 303 506 SER . 51913 1 304 507 VAL . 51913 1 305 508 ARG . 51913 1 306 509 HIS . 51913 1 307 510 CYS . 51913 1 308 511 THR . 51913 1 309 512 ASN . 51913 1 310 513 ALA . 51913 1 311 514 TYR . 51913 1 312 515 MET . 51913 1 313 516 LEU . 51913 1 314 517 VAL . 51913 1 315 518 TYR . 51913 1 316 519 ILE . 51913 1 317 520 ARG . 51913 1 318 521 GLU . 51913 1 319 522 SER . 51913 1 320 523 LYS . 51913 1 321 524 LEU . 51913 1 322 525 SER . 51913 1 323 526 GLU . 51913 1 324 527 VAL . 51913 1 325 528 LEU . 51913 1 326 529 GLN . 51913 1 327 530 ALA . 51913 1 328 531 VAL . 51913 1 329 532 THR . 51913 1 330 533 ASP . 51913 1 331 534 HIS . 51913 1 332 535 ASP . 51913 1 333 536 ILE . 51913 1 334 537 PRO . 51913 1 335 538 GLN . 51913 1 336 539 GLN . 51913 1 337 540 LEU . 51913 1 338 541 VAL . 51913 1 339 542 GLU . 51913 1 340 543 ARG . 51913 1 341 544 LEU . 51913 1 342 545 GLN . 51913 1 343 546 GLU . 51913 1 344 547 GLU . 51913 1 345 548 LYS . 51913 1 346 549 ARG . 51913 1 347 550 ILE . 51913 1 348 551 GLU . 51913 1 349 552 ALA . 51913 1 350 553 GLN . 51913 1 351 554 LYS . 51913 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 51913 1 . SER 2 2 51913 1 . HIS 3 3 51913 1 . MET 4 4 51913 1 . LYS 5 5 51913 1 . LYS 6 6 51913 1 . HIS 7 7 51913 1 . THR 8 8 51913 1 . GLY 9 9 51913 1 . TYR 10 10 51913 1 . VAL 11 11 51913 1 . GLY 12 12 51913 1 . LEU 13 13 51913 1 . LYS 14 14 51913 1 . ASN 15 15 51913 1 . GLN 16 16 51913 1 . GLY 17 17 51913 1 . ALA 18 18 51913 1 . THR 19 19 51913 1 . CYS 20 20 51913 1 . TYR 21 21 51913 1 . MET 22 22 51913 1 . ASN 23 23 51913 1 . SER 24 24 51913 1 . LEU 25 25 51913 1 . LEU 26 26 51913 1 . GLN 27 27 51913 1 . THR 28 28 51913 1 . LEU 29 29 51913 1 . PHE 30 30 51913 1 . PHE 31 31 51913 1 . THR 32 32 51913 1 . ASN 33 33 51913 1 . GLN 34 34 51913 1 . LEU 35 35 51913 1 . ARG 36 36 51913 1 . LYS 37 37 51913 1 . ALA 38 38 51913 1 . VAL 39 39 51913 1 . TYR 40 40 51913 1 . MET 41 41 51913 1 . MET 42 42 51913 1 . PRO 43 43 51913 1 . THR 44 44 51913 1 . GLU 45 45 51913 1 . GLY 46 46 51913 1 . ASP 47 47 51913 1 . ASP 48 48 51913 1 . SER 49 49 51913 1 . SER 50 50 51913 1 . LYS 51 51 51913 1 . SER 52 52 51913 1 . VAL 53 53 51913 1 . PRO 54 54 51913 1 . LEU 55 55 51913 1 . ALA 56 56 51913 1 . LEU 57 57 51913 1 . GLN 58 58 51913 1 . ARG 59 59 51913 1 . VAL 60 60 51913 1 . PHE 61 61 51913 1 . TYR 62 62 51913 1 . GLU 63 63 51913 1 . LEU 64 64 51913 1 . GLN 65 65 51913 1 . HIS 66 66 51913 1 . SER 67 67 51913 1 . ASP 68 68 51913 1 . LYS 69 69 51913 1 . PRO 70 70 51913 1 . VAL 71 71 51913 1 . GLY 72 72 51913 1 . THR 73 73 51913 1 . LYS 74 74 51913 1 . LYS 75 75 51913 1 . LEU 76 76 51913 1 . THR 77 77 51913 1 . LYS 78 78 51913 1 . SER 79 79 51913 1 . PHE 80 80 51913 1 . GLY 81 81 51913 1 . TRP 82 82 51913 1 . GLU 83 83 51913 1 . THR 84 84 51913 1 . LEU 85 85 51913 1 . ASP 86 86 51913 1 . SER 87 87 51913 1 . PHE 88 88 51913 1 . MET 89 89 51913 1 . GLN 90 90 51913 1 . HIS 91 91 51913 1 . ASP 92 92 51913 1 . VAL 93 93 51913 1 . GLN 94 94 51913 1 . GLU 95 95 51913 1 . LEU 96 96 51913 1 . CYS 97 97 51913 1 . ARG 98 98 51913 1 . VAL 99 99 51913 1 . LEU 100 100 51913 1 . LEU 101 101 51913 1 . ASP 102 102 51913 1 . ASN 103 103 51913 1 . VAL 104 104 51913 1 . GLU 105 105 51913 1 . ASN 106 106 51913 1 . LYS 107 107 51913 1 . MET 108 108 51913 1 . LYS 109 109 51913 1 . GLY 110 110 51913 1 . THR 111 111 51913 1 . CYS 112 112 51913 1 . VAL 113 113 51913 1 . GLU 114 114 51913 1 . GLY 115 115 51913 1 . THR 116 116 51913 1 . ILE 117 117 51913 1 . PRO 118 118 51913 1 . LYS 119 119 51913 1 . LEU 120 120 51913 1 . PHE 121 121 51913 1 . ARG 122 122 51913 1 . GLY 123 123 51913 1 . LYS 124 124 51913 1 . MET 125 125 51913 1 . VAL 126 126 51913 1 . SER 127 127 51913 1 . TYR 128 128 51913 1 . ILE 129 129 51913 1 . GLN 130 130 51913 1 . CYS 131 131 51913 1 . LYS 132 132 51913 1 . GLU 133 133 51913 1 . VAL 134 134 51913 1 . ASP 135 135 51913 1 . TYR 136 136 51913 1 . ARG 137 137 51913 1 . SER 138 138 51913 1 . ASP 139 139 51913 1 . ARG 140 140 51913 1 . ARG 141 141 51913 1 . GLU 142 142 51913 1 . ASP 143 143 51913 1 . TYR 144 144 51913 1 . TYR 145 145 51913 1 . ASP 146 146 51913 1 . ILE 147 147 51913 1 . GLN 148 148 51913 1 . LEU 149 149 51913 1 . SER 150 150 51913 1 . ILE 151 151 51913 1 . LYS 152 152 51913 1 . GLY 153 153 51913 1 . LYS 154 154 51913 1 . LYS 155 155 51913 1 . ASN 156 156 51913 1 . ILE 157 157 51913 1 . PHE 158 158 51913 1 . GLU 159 159 51913 1 . SER 160 160 51913 1 . PHE 161 161 51913 1 . VAL 162 162 51913 1 . ASP 163 163 51913 1 . TYR 164 164 51913 1 . VAL 165 165 51913 1 . ALA 166 166 51913 1 . VAL 167 167 51913 1 . GLU 168 168 51913 1 . GLN 169 169 51913 1 . LEU 170 170 51913 1 . ASP 171 171 51913 1 . GLY 172 172 51913 1 . ASP 173 173 51913 1 . ASN 174 174 51913 1 . LYS 175 175 51913 1 . TYR 176 176 51913 1 . ASP 177 177 51913 1 . ALA 178 178 51913 1 . GLY 179 179 51913 1 . GLU 180 180 51913 1 . HIS 181 181 51913 1 . GLY 182 182 51913 1 . LEU 183 183 51913 1 . GLN 184 184 51913 1 . GLU 185 185 51913 1 . ALA 186 186 51913 1 . GLU 187 187 51913 1 . LYS 188 188 51913 1 . GLY 189 189 51913 1 . VAL 190 190 51913 1 . LYS 191 191 51913 1 . PHE 192 192 51913 1 . LEU 193 193 51913 1 . THR 194 194 51913 1 . LEU 195 195 51913 1 . PRO 196 196 51913 1 . PRO 197 197 51913 1 . VAL 198 198 51913 1 . LEU 199 199 51913 1 . HIS 200 200 51913 1 . LEU 201 201 51913 1 . GLN 202 202 51913 1 . LEU 203 203 51913 1 . MET 204 204 51913 1 . ARG 205 205 51913 1 . PHE 206 206 51913 1 . MET 207 207 51913 1 . TYR 208 208 51913 1 . ASP 209 209 51913 1 . PRO 210 210 51913 1 . GLN 211 211 51913 1 . THR 212 212 51913 1 . ASP 213 213 51913 1 . GLN 214 214 51913 1 . ASN 215 215 51913 1 . ILE 216 216 51913 1 . LYS 217 217 51913 1 . ILE 218 218 51913 1 . ASN 219 219 51913 1 . ASP 220 220 51913 1 . ARG 221 221 51913 1 . PHE 222 222 51913 1 . GLU 223 223 51913 1 . PHE 224 224 51913 1 . PRO 225 225 51913 1 . GLU 226 226 51913 1 . GLN 227 227 51913 1 . LEU 228 228 51913 1 . PRO 229 229 51913 1 . LEU 230 230 51913 1 . ASP 231 231 51913 1 . GLU 232 232 51913 1 . PHE 233 233 51913 1 . LEU 234 234 51913 1 . GLN 235 235 51913 1 . LYS 236 236 51913 1 . THR 237 237 51913 1 . ASP 238 238 51913 1 . PRO 239 239 51913 1 . LYS 240 240 51913 1 . ASP 241 241 51913 1 . PRO 242 242 51913 1 . ALA 243 243 51913 1 . ASN 244 244 51913 1 . TYR 245 245 51913 1 . ILE 246 246 51913 1 . LEU 247 247 51913 1 . HIS 248 248 51913 1 . ALA 249 249 51913 1 . VAL 250 250 51913 1 . LEU 251 251 51913 1 . VAL 252 252 51913 1 . HIS 253 253 51913 1 . SER 254 254 51913 1 . GLY 255 255 51913 1 . ASP 256 256 51913 1 . ASN 257 257 51913 1 . HIS 258 258 51913 1 . GLY 259 259 51913 1 . GLY 260 260 51913 1 . HIS 261 261 51913 1 . TYR 262 262 51913 1 . VAL 263 263 51913 1 . VAL 264 264 51913 1 . TYR 265 265 51913 1 . LEU 266 266 51913 1 . ASN 267 267 51913 1 . PRO 268 268 51913 1 . LYS 269 269 51913 1 . GLY 270 270 51913 1 . ASP 271 271 51913 1 . GLY 272 272 51913 1 . LYS 273 273 51913 1 . TRP 274 274 51913 1 . CYS 275 275 51913 1 . LYS 276 276 51913 1 . PHE 277 277 51913 1 . ASP 278 278 51913 1 . ASP 279 279 51913 1 . ASP 280 280 51913 1 . VAL 281 281 51913 1 . VAL 282 282 51913 1 . SER 283 283 51913 1 . ARG 284 284 51913 1 . CYS 285 285 51913 1 . THR 286 286 51913 1 . LYS 287 287 51913 1 . GLU 288 288 51913 1 . GLU 289 289 51913 1 . ALA 290 290 51913 1 . ILE 291 291 51913 1 . GLU 292 292 51913 1 . HIS 293 293 51913 1 . ASN 294 294 51913 1 . TYR 295 295 51913 1 . GLY 296 296 51913 1 . GLY 297 297 51913 1 . HIS 298 298 51913 1 . ASP 299 299 51913 1 . ASP 300 300 51913 1 . ASP 301 301 51913 1 . LEU 302 302 51913 1 . SER 303 303 51913 1 . VAL 304 304 51913 1 . ARG 305 305 51913 1 . HIS 306 306 51913 1 . CYS 307 307 51913 1 . THR 308 308 51913 1 . ASN 309 309 51913 1 . ALA 310 310 51913 1 . TYR 311 311 51913 1 . MET 312 312 51913 1 . LEU 313 313 51913 1 . VAL 314 314 51913 1 . TYR 315 315 51913 1 . ILE 316 316 51913 1 . ARG 317 317 51913 1 . GLU 318 318 51913 1 . SER 319 319 51913 1 . LYS 320 320 51913 1 . LEU 321 321 51913 1 . SER 322 322 51913 1 . GLU 323 323 51913 1 . VAL 324 324 51913 1 . LEU 325 325 51913 1 . GLN 326 326 51913 1 . ALA 327 327 51913 1 . VAL 328 328 51913 1 . THR 329 329 51913 1 . ASP 330 330 51913 1 . HIS 331 331 51913 1 . ASP 332 332 51913 1 . ILE 333 333 51913 1 . PRO 334 334 51913 1 . GLN 335 335 51913 1 . GLN 336 336 51913 1 . LEU 337 337 51913 1 . VAL 338 338 51913 1 . GLU 339 339 51913 1 . ARG 340 340 51913 1 . LEU 341 341 51913 1 . GLN 342 342 51913 1 . GLU 343 343 51913 1 . GLU 344 344 51913 1 . LYS 345 345 51913 1 . ARG 346 346 51913 1 . ILE 347 347 51913 1 . GLU 348 348 51913 1 . ALA 349 349 51913 1 . GLN 350 350 51913 1 . LYS 351 351 51913 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 51913 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID 1 _Entity.Nonpolymer_comp_label $chem_comp_1 _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . 1 $chem_comp_1 51913 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51913 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . USP7 . 51913 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 51913 _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 . . pET-28a . . . 51913 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_1 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_1 _Chem_comp.Entry_ID 51913 _Chem_comp.ID 1 _Chem_comp.Provenance . _Chem_comp.Name 'Compound 21' _Chem_comp.Type . _Chem_comp.BMRB_code . _Chem_comp.PDB_code . _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic yes _Chem_comp.Formula C22H26BrN5O3 _Chem_comp.Formula_weight 488.39 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details 'SMILES: C[C@H](CC(N1CCC(O)(CN2C=NC3=C(Br)N(C)N=C3C2=O)CC1)=O)C4=CC=CC=C4' _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51913 _Sample.ID 1 _Sample.Name 'sample 1' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Ubiquitin Specific Protease 7 catalytic domain (residues 208-554)' '[U-100% 13C; U-100% 15N; U-100% 2H (carbon bound)]' . . 1 $entity_1 . . 0.5 . . mM 0.05 . . . 51913 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM 1 . . . 51913 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 5 . . . 51913 1 4 TCEP 'natural abundance' . . . . . . 5 . . mM 0.2 . . . 51913 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 51913 1 6 D2O '[U-100% 2H]' . . . . . . 10 . . % 0.2 . . . 51913 1 7 'Compound 21' 'natural abundance' . . 2 $entity_2 . . 0.73 . . mM 0.1 . . . 51913 1 8 DMSO 'natural abundance' . . . . . . 1 . . % 0.1 . . . 51913 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 51913 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'sample 1 conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.32 0.02 M 51913 1 pH 7.2 0.2 pH 51913 1 pressure 1 0.01 atm 51913 1 temperature 298 0.5 K 51913 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51913 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version 1.9.1.7 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51913 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51913 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 800 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 51913 _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-15N TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51913 1 2 '3D HN(CO)CA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51913 1 3 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51913 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 51913 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name USP7 _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 TSP 'methyl protons' . . . . ppm 0.0 external indirect . . . . . . 51913 1 H 1 TSP 'methyl protons' . . . . ppm 0.0 external direct 1 . . . . . 51913 1 N 15 TSP 'methyl protons' . . . . ppm 0.0 external indirect . . . . . . 51913 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 51913 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'USP7 catalytic domain in a complex with small molecule ligand' _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 0.001 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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-15N TROSY' . . . 51913 1 2 '3D HN(CO)CA' . . . 51913 1 3 '3D HNCACB' . . . 51913 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 . . 51913 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 GLY H H 1 8.061 0.001 . 1 . . . . . 212 GLY H . 51913 1 2 . 1 . 1 9 9 GLY CA C 13 44.3 0.1 . 1 . . . . . 212 GLY CA . 51913 1 3 . 1 . 1 9 9 GLY N N 15 109.9 0.1 . 1 . . . . . 212 GLY N . 51913 1 4 . 1 . 1 10 10 TYR H H 1 7.745 0.001 . 1 . . . . . 213 TYR H . 51913 1 5 . 1 . 1 10 10 TYR CA C 13 55.2 0.1 . 1 . . . . . 213 TYR CA . 51913 1 6 . 1 . 1 10 10 TYR CB C 13 39.7 0.1 . 1 . . . . . 213 TYR CB . 51913 1 7 . 1 . 1 10 10 TYR N N 15 121.2 0.1 . 1 . . . . . 213 TYR N . 51913 1 8 . 1 . 1 11 11 VAL H H 1 7.115 0.001 . 1 . . . . . 214 VAL H . 51913 1 9 . 1 . 1 11 11 VAL CA C 13 60.2 0.1 . 1 . . . . . 214 VAL CA . 51913 1 10 . 1 . 1 11 11 VAL N N 15 119.1 0.1 . 1 . . . . . 214 VAL N . 51913 1 11 . 1 . 1 12 12 GLY H H 1 8.604 0.001 . 1 . . . . . 215 GLY H . 51913 1 12 . 1 . 1 12 12 GLY CA C 13 42.7 0.1 . 1 . . . . . 215 GLY CA . 51913 1 13 . 1 . 1 12 12 GLY N N 15 110.2 0.1 . 1 . . . . . 215 GLY N . 51913 1 14 . 1 . 1 13 13 LEU H H 1 6.780 0.001 . 1 . . . . . 216 LEU H . 51913 1 15 . 1 . 1 13 13 LEU CA C 13 53.1 0.1 . 1 . . . . . 216 LEU CA . 51913 1 16 . 1 . 1 13 13 LEU CB C 13 44.3 0.1 . 1 . . . . . 216 LEU CB . 51913 1 17 . 1 . 1 13 13 LEU N N 15 119.2 0.1 . 1 . . . . . 216 LEU N . 51913 1 18 . 1 . 1 24 24 SER CA C 13 61.6 0.1 . 1 . . . . . 227 SER CA . 51913 1 19 . 1 . 1 25 25 LEU H H 1 7.865 0.001 . 1 . . . . . 228 LEU H . 51913 1 20 . 1 . 1 25 25 LEU CA C 13 56.7 0.1 . 1 . . . . . 228 LEU CA . 51913 1 21 . 1 . 1 25 25 LEU CB C 13 40.9 0.1 . 1 . . . . . 228 LEU CB . 51913 1 22 . 1 . 1 25 25 LEU N N 15 123.5 0.1 . 1 . . . . . 228 LEU N . 51913 1 23 . 1 . 1 26 26 LEU H H 1 8.838 0.001 . 1 . . . . . 229 LEU H . 51913 1 24 . 1 . 1 26 26 LEU CA C 13 58.2 0.1 . 1 . . . . . 229 LEU CA . 51913 1 25 . 1 . 1 26 26 LEU CB C 13 41.2 0.1 . 1 . . . . . 229 LEU CB . 51913 1 26 . 1 . 1 26 26 LEU N N 15 119.4 0.1 . 1 . . . . . 229 LEU N . 51913 1 27 . 1 . 1 27 27 GLN H H 1 7.638 0.001 . 1 . . . . . 230 GLN H . 51913 1 28 . 1 . 1 27 27 GLN CA C 13 58.2 0.1 . 1 . . . . . 230 GLN CA . 51913 1 29 . 1 . 1 27 27 GLN N N 15 115.0 0.1 . 1 . . . . . 230 GLN N . 51913 1 30 . 1 . 1 28 28 THR CA C 13 67.0 0.1 . 1 . . . . . 231 THR CA . 51913 1 31 . 1 . 1 29 29 LEU H H 1 7.909 0.001 . 1 . . . . . 232 LEU H . 51913 1 32 . 1 . 1 29 29 LEU CA C 13 57.4 0.1 . 1 . . . . . 232 LEU CA . 51913 1 33 . 1 . 1 29 29 LEU CB C 13 40.7 0.1 . 1 . . . . . 232 LEU CB . 51913 1 34 . 1 . 1 29 29 LEU N N 15 119.1 0.1 . 1 . . . . . 232 LEU N . 51913 1 35 . 1 . 1 30 30 PHE H H 1 8.424 0.001 . 1 . . . . . 233 PHE H . 51913 1 36 . 1 . 1 30 30 PHE CA C 13 61.2 0.1 . 1 . . . . . 233 PHE CA . 51913 1 37 . 1 . 1 30 30 PHE CB C 13 43.0 0.1 . 1 . . . . . 233 PHE CB . 51913 1 38 . 1 . 1 30 30 PHE N N 15 121.6 0.1 . 1 . . . . . 233 PHE N . 51913 1 39 . 1 . 1 31 31 PHE H H 1 7.608 0.001 . 1 . . . . . 234 PHE H . 51913 1 40 . 1 . 1 31 31 PHE CA C 13 60.0 0.1 . 1 . . . . . 234 PHE CA . 51913 1 41 . 1 . 1 31 31 PHE CB C 13 36.3 0.1 . 1 . . . . . 234 PHE CB . 51913 1 42 . 1 . 1 31 31 PHE N N 15 113.6 0.1 . 1 . . . . . 234 PHE N . 51913 1 43 . 1 . 1 32 32 THR H H 1 7.446 0.001 . 1 . . . . . 235 THR H . 51913 1 44 . 1 . 1 32 32 THR CA C 13 60.2 0.1 . 1 . . . . . 235 THR CA . 51913 1 45 . 1 . 1 32 32 THR CB C 13 65.1 0.1 . 1 . . . . . 235 THR CB . 51913 1 46 . 1 . 1 32 32 THR N N 15 116.6 0.1 . 1 . . . . . 235 THR N . 51913 1 47 . 1 . 1 33 33 ASN H H 1 7.178 0.001 . 1 . . . . . 236 ASN H . 51913 1 48 . 1 . 1 33 33 ASN CA C 13 57.8 0.1 . 1 . . . . . 236 ASN CA . 51913 1 49 . 1 . 1 33 33 ASN CB C 13 36.1 0.1 . 1 . . . . . 236 ASN CB . 51913 1 50 . 1 . 1 33 33 ASN N N 15 126.1 0.1 . 1 . . . . . 236 ASN N . 51913 1 51 . 1 . 1 34 34 GLN H H 1 9.035 0.001 . 1 . . . . . 237 GLN H . 51913 1 52 . 1 . 1 34 34 GLN CA C 13 59.7 0.1 . 1 . . . . . 237 GLN CA . 51913 1 53 . 1 . 1 34 34 GLN CB C 13 28.9 0.1 . 1 . . . . . 237 GLN CB . 51913 1 54 . 1 . 1 34 34 GLN N N 15 117.6 0.1 . 1 . . . . . 237 GLN N . 51913 1 55 . 1 . 1 35 35 LEU H H 1 7.182 0.001 . 1 . . . . . 238 LEU H . 51913 1 56 . 1 . 1 35 35 LEU CA C 13 57.0 0.1 . 1 . . . . . 238 LEU CA . 51913 1 57 . 1 . 1 35 35 LEU N N 15 117.0 0.1 . 1 . . . . . 238 LEU N . 51913 1 58 . 1 . 1 36 36 ARG H H 1 7.579 0.001 . 1 . . . . . 239 ARG H . 51913 1 59 . 1 . 1 36 36 ARG CA C 13 59.5 0.1 . 1 . . . . . 239 ARG CA . 51913 1 60 . 1 . 1 36 36 ARG N N 15 121.9 0.1 . 1 . . . . . 239 ARG N . 51913 1 61 . 1 . 1 37 37 LYS H H 1 8.234 0.001 . 1 . . . . . 240 LYS H . 51913 1 62 . 1 . 1 37 37 LYS CA C 13 59.6 0.1 . 1 . . . . . 240 LYS CA . 51913 1 63 . 1 . 1 37 37 LYS CB C 13 32.0 0.1 . 1 . . . . . 240 LYS CB . 51913 1 64 . 1 . 1 37 37 LYS N N 15 114.3 0.1 . 1 . . . . . 240 LYS N . 51913 1 65 . 1 . 1 38 38 ALA H H 1 7.140 0.001 . 1 . . . . . 241 ALA H . 51913 1 66 . 1 . 1 38 38 ALA CA C 13 54.9 0.1 . 1 . . . . . 241 ALA CA . 51913 1 67 . 1 . 1 38 38 ALA N N 15 120.9 0.1 . 1 . . . . . 241 ALA N . 51913 1 68 . 1 . 1 39 39 VAL H H 1 8.591 0.001 . 1 . . . . . 242 VAL H . 51913 1 69 . 1 . 1 39 39 VAL CA C 13 65.8 0.1 . 1 . . . . . 242 VAL CA . 51913 1 70 . 1 . 1 39 39 VAL CB C 13 30.5 0.1 . 1 . . . . . 242 VAL CB . 51913 1 71 . 1 . 1 39 39 VAL N N 15 119.0 0.1 . 1 . . . . . 242 VAL N . 51913 1 72 . 1 . 1 40 40 TYR H H 1 7.984 0.001 . 1 . . . . . 243 TYR H . 51913 1 73 . 1 . 1 40 40 TYR CA C 13 58.4 0.1 . 1 . . . . . 243 TYR CA . 51913 1 74 . 1 . 1 40 40 TYR CB C 13 36.5 0.1 . 1 . . . . . 243 TYR CB . 51913 1 75 . 1 . 1 40 40 TYR N N 15 120.3 0.1 . 1 . . . . . 243 TYR N . 51913 1 76 . 1 . 1 41 41 MET H H 1 7.417 0.001 . 1 . . . . . 244 MET H . 51913 1 77 . 1 . 1 41 41 MET CA C 13 54.6 0.1 . 1 . . . . . 244 MET CA . 51913 1 78 . 1 . 1 41 41 MET CB C 13 31.6 0.1 . 1 . . . . . 244 MET CB . 51913 1 79 . 1 . 1 41 41 MET N N 15 114.2 0.1 . 1 . . . . . 244 MET N . 51913 1 80 . 1 . 1 42 42 MET H H 1 7.248 0.001 . 1 . . . . . 245 MET H . 51913 1 81 . 1 . 1 42 42 MET CA C 13 55.0 0.1 . 1 . . . . . 245 MET CA . 51913 1 82 . 1 . 1 42 42 MET CB C 13 31.6 0.1 . 1 . . . . . 245 MET CB . 51913 1 83 . 1 . 1 42 42 MET N N 15 118.2 0.1 . 1 . . . . . 245 MET N . 51913 1 84 . 1 . 1 43 43 PRO CA C 13 62.7 0.1 . 1 . . . . . 246 PRO CA . 51913 1 85 . 1 . 1 44 44 THR H H 1 7.957 0.001 . 1 . . . . . 247 THR H . 51913 1 86 . 1 . 1 44 44 THR CA C 13 60.0 0.1 . 1 . . . . . 247 THR CA . 51913 1 87 . 1 . 1 44 44 THR CB C 13 68.7 0.1 . 1 . . . . . 247 THR CB . 51913 1 88 . 1 . 1 44 44 THR N N 15 114.4 0.1 . 1 . . . . . 247 THR N . 51913 1 89 . 1 . 1 45 45 GLU H H 1 9.179 0.001 . 1 . . . . . 248 GLU H . 51913 1 90 . 1 . 1 45 45 GLU CA C 13 59.5 0.1 . 1 . . . . . 248 GLU CA . 51913 1 91 . 1 . 1 45 45 GLU N N 15 125.0 0.1 . 1 . . . . . 248 GLU N . 51913 1 92 . 1 . 1 46 46 GLY H H 1 8.678 0.001 . 1 . . . . . 249 GLY H . 51913 1 93 . 1 . 1 46 46 GLY CA C 13 44.3 0.1 . 1 . . . . . 249 GLY CA . 51913 1 94 . 1 . 1 46 46 GLY N N 15 108.8 0.1 . 1 . . . . . 249 GLY N . 51913 1 95 . 1 . 1 47 47 ASP H H 1 7.849 0.001 . 1 . . . . . 250 ASP H . 51913 1 96 . 1 . 1 47 47 ASP CA C 13 54.0 0.1 . 1 . . . . . 250 ASP CA . 51913 1 97 . 1 . 1 47 47 ASP CB C 13 40.3 0.1 . 1 . . . . . 250 ASP CB . 51913 1 98 . 1 . 1 47 47 ASP N N 15 122.4 0.1 . 1 . . . . . 250 ASP N . 51913 1 99 . 1 . 1 48 48 ASP H H 1 8.611 0.001 . 1 . . . . . 251 ASP H . 51913 1 100 . 1 . 1 48 48 ASP N N 15 122.2 0.1 . 1 . . . . . 251 ASP N . 51913 1 101 . 1 . 1 50 50 SER H H 1 8.573 0.001 . 1 . . . . . 253 SER H . 51913 1 102 . 1 . 1 50 50 SER CA C 13 59.4 0.1 . 1 . . . . . 253 SER CA . 51913 1 103 . 1 . 1 50 50 SER CB C 13 63.6 0.1 . 1 . . . . . 253 SER CB . 51913 1 104 . 1 . 1 50 50 SER N N 15 115.6 0.1 . 1 . . . . . 253 SER N . 51913 1 105 . 1 . 1 51 51 LYS H H 1 7.861 0.001 . 1 . . . . . 254 LYS H . 51913 1 106 . 1 . 1 51 51 LYS CA C 13 55.5 0.1 . 1 . . . . . 254 LYS CA . 51913 1 107 . 1 . 1 51 51 LYS CB C 13 33.0 0.1 . 1 . . . . . 254 LYS CB . 51913 1 108 . 1 . 1 51 51 LYS N N 15 118.9 0.1 . 1 . . . . . 254 LYS N . 51913 1 109 . 1 . 1 52 52 SER H H 1 7.320 0.001 . 1 . . . . . 255 SER H . 51913 1 110 . 1 . 1 52 52 SER CA C 13 56.6 0.1 . 1 . . . . . 255 SER CA . 51913 1 111 . 1 . 1 52 52 SER CB C 13 62.3 0.1 . 1 . . . . . 255 SER CB . 51913 1 112 . 1 . 1 52 52 SER N N 15 111.8 0.1 . 1 . . . . . 255 SER N . 51913 1 113 . 1 . 1 53 53 VAL H H 1 9.138 0.001 . 1 . . . . . 256 VAL H . 51913 1 114 . 1 . 1 53 53 VAL CA C 13 65.8 0.1 . 1 . . . . . 256 VAL CA . 51913 1 115 . 1 . 1 53 53 VAL CB C 13 28.3 0.1 . 1 . . . . . 256 VAL CB . 51913 1 116 . 1 . 1 53 53 VAL N N 15 132.0 0.1 . 1 . . . . . 256 VAL N . 51913 1 117 . 1 . 1 54 54 PRO CA C 13 66.8 0.1 . 1 . . . . . 257 PRO CA . 51913 1 118 . 1 . 1 55 55 LEU H H 1 7.971 0.001 . 1 . . . . . 258 LEU H . 51913 1 119 . 1 . 1 55 55 LEU CA C 13 56.3 0.1 . 1 . . . . . 258 LEU CA . 51913 1 120 . 1 . 1 55 55 LEU CB C 13 41.1 0.1 . 1 . . . . . 258 LEU CB . 51913 1 121 . 1 . 1 55 55 LEU N N 15 118.3 0.1 . 1 . . . . . 258 LEU N . 51913 1 122 . 1 . 1 56 56 ALA H H 1 7.972 0.001 . 1 . . . . . 259 ALA H . 51913 1 123 . 1 . 1 56 56 ALA CA C 13 54.2 0.1 . 1 . . . . . 259 ALA CA . 51913 1 124 . 1 . 1 56 56 ALA CB C 13 17.4 0.1 . 1 . . . . . 259 ALA CB . 51913 1 125 . 1 . 1 56 56 ALA N N 15 121.1 0.1 . 1 . . . . . 259 ALA N . 51913 1 126 . 1 . 1 57 57 LEU H H 1 8.414 0.001 . 1 . . . . . 260 LEU H . 51913 1 127 . 1 . 1 57 57 LEU CA C 13 56.5 0.1 . 1 . . . . . 260 LEU CA . 51913 1 128 . 1 . 1 57 57 LEU CB C 13 40.7 0.1 . 1 . . . . . 260 LEU CB . 51913 1 129 . 1 . 1 57 57 LEU N N 15 120.4 0.1 . 1 . . . . . 260 LEU N . 51913 1 130 . 1 . 1 58 58 GLN H H 1 7.887 0.001 . 1 . . . . . 261 GLN H . 51913 1 131 . 1 . 1 58 58 GLN CA C 13 59.9 0.1 . 1 . . . . . 261 GLN CA . 51913 1 132 . 1 . 1 58 58 GLN CB C 13 28.3 0.1 . 1 . . . . . 261 GLN CB . 51913 1 133 . 1 . 1 58 58 GLN N N 15 118.0 0.1 . 1 . . . . . 261 GLN N . 51913 1 134 . 1 . 1 59 59 ARG H H 1 8.550 0.001 . 1 . . . . . 262 ARG H . 51913 1 135 . 1 . 1 59 59 ARG CA C 13 59.8 0.1 . 1 . . . . . 262 ARG CA . 51913 1 136 . 1 . 1 59 59 ARG CB C 13 28.5 0.1 . 1 . . . . . 262 ARG CB . 51913 1 137 . 1 . 1 59 59 ARG N N 15 118.0 0.1 . 1 . . . . . 262 ARG N . 51913 1 138 . 1 . 1 60 60 VAL H H 1 7.715 0.001 . 1 . . . . . 263 VAL H . 51913 1 139 . 1 . 1 60 60 VAL CA C 13 65.8 0.1 . 1 . . . . . 263 VAL CA . 51913 1 140 . 1 . 1 60 60 VAL CB C 13 30.8 0.1 . 1 . . . . . 263 VAL CB . 51913 1 141 . 1 . 1 60 60 VAL N N 15 117.8 0.1 . 1 . . . . . 263 VAL N . 51913 1 142 . 1 . 1 61 61 PHE H H 1 8.560 0.001 . 1 . . . . . 264 PHE H . 51913 1 143 . 1 . 1 61 61 PHE CA C 13 57.1 0.1 . 1 . . . . . 264 PHE CA . 51913 1 144 . 1 . 1 61 61 PHE CB C 13 34.9 0.1 . 1 . . . . . 264 PHE CB . 51913 1 145 . 1 . 1 61 61 PHE N N 15 118.1 0.1 . 1 . . . . . 264 PHE N . 51913 1 146 . 1 . 1 62 62 TYR H H 1 9.359 0.001 . 1 . . . . . 265 TYR H . 51913 1 147 . 1 . 1 62 62 TYR CA C 13 62.8 0.1 . 1 . . . . . 265 TYR CA . 51913 1 148 . 1 . 1 62 62 TYR CB C 13 38.5 0.1 . 1 . . . . . 265 TYR CB . 51913 1 149 . 1 . 1 62 62 TYR N N 15 120.6 0.1 . 1 . . . . . 265 TYR N . 51913 1 150 . 1 . 1 63 63 GLU H H 1 8.837 0.001 . 1 . . . . . 266 GLU H . 51913 1 151 . 1 . 1 63 63 GLU CA C 13 59.7 0.1 . 1 . . . . . 266 GLU CA . 51913 1 152 . 1 . 1 63 63 GLU CB C 13 29.7 0.1 . 1 . . . . . 266 GLU CB . 51913 1 153 . 1 . 1 63 63 GLU N N 15 121.2 0.1 . 1 . . . . . 266 GLU N . 51913 1 154 . 1 . 1 64 64 LEU H H 1 8.860 0.001 . 1 . . . . . 267 LEU H . 51913 1 155 . 1 . 1 64 64 LEU CA C 13 57.4 0.1 . 1 . . . . . 267 LEU CA . 51913 1 156 . 1 . 1 64 64 LEU CB C 13 39.4 0.1 . 1 . . . . . 267 LEU CB . 51913 1 157 . 1 . 1 64 64 LEU N N 15 122.8 0.1 . 1 . . . . . 267 LEU N . 51913 1 158 . 1 . 1 65 65 GLN H H 1 8.058 0.001 . 1 . . . . . 268 GLN H . 51913 1 159 . 1 . 1 65 65 GLN CA C 13 56.9 0.1 . 1 . . . . . 268 GLN CA . 51913 1 160 . 1 . 1 65 65 GLN CB C 13 27.9 0.1 . 1 . . . . . 268 GLN CB . 51913 1 161 . 1 . 1 65 65 GLN N N 15 117.6 0.1 . 1 . . . . . 268 GLN N . 51913 1 162 . 1 . 1 66 66 HIS H H 1 7.619 0.001 . 1 . . . . . 269 HIS H . 51913 1 163 . 1 . 1 66 66 HIS CA C 13 57.7 0.1 . 1 . . . . . 269 HIS CA . 51913 1 164 . 1 . 1 66 66 HIS CB C 13 30.8 0.1 . 1 . . . . . 269 HIS CB . 51913 1 165 . 1 . 1 66 66 HIS N N 15 114.9 0.1 . 1 . . . . . 269 HIS N . 51913 1 166 . 1 . 1 67 67 SER H H 1 9.287 0.001 . 1 . . . . . 270 SER H . 51913 1 167 . 1 . 1 67 67 SER CA C 13 58.5 0.1 . 1 . . . . . 270 SER CA . 51913 1 168 . 1 . 1 67 67 SER CB C 13 63.8 0.1 . 1 . . . . . 270 SER CB . 51913 1 169 . 1 . 1 67 67 SER N N 15 116.8 0.1 . 1 . . . . . 270 SER N . 51913 1 170 . 1 . 1 68 68 ASP H H 1 8.440 0.001 . 1 . . . . . 271 ASP H . 51913 1 171 . 1 . 1 68 68 ASP CA C 13 53.4 0.1 . 1 . . . . . 271 ASP CA . 51913 1 172 . 1 . 1 68 68 ASP CB C 13 40.1 0.1 . 1 . . . . . 271 ASP CB . 51913 1 173 . 1 . 1 68 68 ASP N N 15 121.9 0.1 . 1 . . . . . 271 ASP N . 51913 1 174 . 1 . 1 69 69 LYS H H 1 8.087 0.001 . 1 . . . . . 272 LYS H . 51913 1 175 . 1 . 1 69 69 LYS CA C 13 53.0 0.1 . 1 . . . . . 272 LYS CA . 51913 1 176 . 1 . 1 69 69 LYS CB C 13 32.8 0.1 . 1 . . . . . 272 LYS CB . 51913 1 177 . 1 . 1 69 69 LYS N N 15 121.8 0.1 . 1 . . . . . 272 LYS N . 51913 1 178 . 1 . 1 70 70 PRO CA C 13 62.7 0.1 . 1 . . . . . 273 PRO CA . 51913 1 179 . 1 . 1 71 71 VAL H H 1 8.263 0.001 . 1 . . . . . 274 VAL H . 51913 1 180 . 1 . 1 71 71 VAL CA C 13 62.8 0.1 . 1 . . . . . 274 VAL CA . 51913 1 181 . 1 . 1 71 71 VAL CB C 13 33.6 0.1 . 1 . . . . . 274 VAL CB . 51913 1 182 . 1 . 1 71 71 VAL N N 15 126.2 0.1 . 1 . . . . . 274 VAL N . 51913 1 183 . 1 . 1 72 72 GLY H H 1 8.892 0.001 . 1 . . . . . 275 GLY H . 51913 1 184 . 1 . 1 72 72 GLY CA C 13 44.4 0.1 . 1 . . . . . 275 GLY CA . 51913 1 185 . 1 . 1 72 72 GLY N N 15 114.3 0.1 . 1 . . . . . 275 GLY N . 51913 1 186 . 1 . 1 75 75 LYS CA C 13 59.1 0.1 . 1 . . . . . 278 LYS CA . 51913 1 187 . 1 . 1 76 76 LEU H H 1 7.319 0.001 . 1 . . . . . 279 LEU H . 51913 1 188 . 1 . 1 76 76 LEU CA C 13 57.1 0.1 . 1 . . . . . 279 LEU CA . 51913 1 189 . 1 . 1 76 76 LEU CB C 13 39.8 0.1 . 1 . . . . . 279 LEU CB . 51913 1 190 . 1 . 1 76 76 LEU N N 15 120.1 0.1 . 1 . . . . . 279 LEU N . 51913 1 191 . 1 . 1 77 77 THR H H 1 8.310 0.001 . 1 . . . . . 280 THR H . 51913 1 192 . 1 . 1 77 77 THR CA C 13 65.2 0.1 . 1 . . . . . 280 THR CA . 51913 1 193 . 1 . 1 77 77 THR CB C 13 66.7 0.1 . 1 . . . . . 280 THR CB . 51913 1 194 . 1 . 1 77 77 THR N N 15 111.7 0.1 . 1 . . . . . 280 THR N . 51913 1 195 . 1 . 1 78 78 LYS H H 1 7.496 0.001 . 1 . . . . . 281 LYS H . 51913 1 196 . 1 . 1 78 78 LYS CA C 13 58.5 0.1 . 1 . . . . . 281 LYS CA . 51913 1 197 . 1 . 1 78 78 LYS CB C 13 31.0 0.1 . 1 . . . . . 281 LYS CB . 51913 1 198 . 1 . 1 78 78 LYS N N 15 119.8 0.1 . 1 . . . . . 281 LYS N . 51913 1 199 . 1 . 1 79 79 SER H H 1 7.344 0.001 . 1 . . . . . 282 SER H . 51913 1 200 . 1 . 1 79 79 SER CA C 13 62.2 0.1 . 1 . . . . . 282 SER CA . 51913 1 201 . 1 . 1 79 79 SER N N 15 115.8 0.1 . 1 . . . . . 282 SER N . 51913 1 202 . 1 . 1 80 80 PHE CA C 13 55.9 0.1 . 1 . . . . . 283 PHE CA . 51913 1 203 . 1 . 1 81 81 GLY H H 1 7.469 0.001 . 1 . . . . . 284 GLY H . 51913 1 204 . 1 . 1 81 81 GLY CA C 13 46.4 0.1 . 1 . . . . . 284 GLY CA . 51913 1 205 . 1 . 1 81 81 GLY N N 15 109.2 0.1 . 1 . . . . . 284 GLY N . 51913 1 206 . 1 . 1 82 82 TRP H H 1 6.796 0.001 . 1 . . . . . 285 TRP H . 51913 1 207 . 1 . 1 82 82 TRP HE1 H 1 9.879 0.001 . 1 . . . . . 285 TRP HE1 . 51913 1 208 . 1 . 1 82 82 TRP CA C 13 54.4 0.1 . 1 . . . . . 285 TRP CA . 51913 1 209 . 1 . 1 82 82 TRP CB C 13 27.2 0.1 . 1 . . . . . 285 TRP CB . 51913 1 210 . 1 . 1 82 82 TRP N N 15 123.5 0.1 . 1 . . . . . 285 TRP N . 51913 1 211 . 1 . 1 82 82 TRP NE1 N 15 127.4 0.1 . 1 . . . . . 285 TRP NE1 . 51913 1 212 . 1 . 1 83 83 GLU H H 1 7.868 0.001 . 1 . . . . . 286 GLU H . 51913 1 213 . 1 . 1 83 83 GLU CA C 13 56.5 0.1 . 1 . . . . . 286 GLU CA . 51913 1 214 . 1 . 1 83 83 GLU N N 15 117.3 0.1 . 1 . . . . . 286 GLU N . 51913 1 215 . 1 . 1 84 84 THR H H 1 7.681 0.001 . 1 . . . . . 287 THR H . 51913 1 216 . 1 . 1 84 84 THR CA C 13 58.8 0.1 . 1 . . . . . 287 THR CA . 51913 1 217 . 1 . 1 84 84 THR CB C 13 72.2 0.1 . 1 . . . . . 287 THR CB . 51913 1 218 . 1 . 1 84 84 THR N N 15 108.5 0.1 . 1 . . . . . 287 THR N . 51913 1 219 . 1 . 1 85 85 LEU CA C 13 57.3 0.1 . 1 . . . . . 288 LEU CA . 51913 1 220 . 1 . 1 86 86 ASP H H 1 8.149 0.001 . 1 . . . . . 289 ASP H . 51913 1 221 . 1 . 1 86 86 ASP CA C 13 57.0 0.1 . 1 . . . . . 289 ASP CA . 51913 1 222 . 1 . 1 86 86 ASP CB C 13 39.9 0.1 . 1 . . . . . 289 ASP CB . 51913 1 223 . 1 . 1 86 86 ASP N N 15 116.1 0.1 . 1 . . . . . 289 ASP N . 51913 1 224 . 1 . 1 87 87 SER H H 1 7.536 0.001 . 1 . . . . . 290 SER H . 51913 1 225 . 1 . 1 87 87 SER CA C 13 62.2 0.1 . 1 . . . . . 290 SER CA . 51913 1 226 . 1 . 1 87 87 SER N N 15 113.5 0.1 . 1 . . . . . 290 SER N . 51913 1 227 . 1 . 1 90 90 GLN CA C 13 54.9 0.1 . 1 . . . . . 293 GLN CA . 51913 1 228 . 1 . 1 91 91 HIS H H 1 7.030 0.001 . 1 . . . . . 294 HIS H . 51913 1 229 . 1 . 1 91 91 HIS CA C 13 55.1 0.1 . 1 . . . . . 294 HIS CA . 51913 1 230 . 1 . 1 91 91 HIS CB C 13 32.9 0.1 . 1 . . . . . 294 HIS CB . 51913 1 231 . 1 . 1 91 91 HIS N N 15 114.9 0.1 . 1 . . . . . 294 HIS N . 51913 1 232 . 1 . 1 92 92 ASP H H 1 7.997 0.001 . 1 . . . . . 295 ASP H . 51913 1 233 . 1 . 1 92 92 ASP CA C 13 51.9 0.1 . 1 . . . . . 295 ASP CA . 51913 1 234 . 1 . 1 92 92 ASP N N 15 119.6 0.1 . 1 . . . . . 295 ASP N . 51913 1 235 . 1 . 1 93 93 VAL H H 1 7.795 0.001 . 1 . . . . . 296 VAL H . 51913 1 236 . 1 . 1 93 93 VAL CA C 13 64.4 0.1 . 1 . . . . . 296 VAL CA . 51913 1 237 . 1 . 1 93 93 VAL N N 15 118.9 0.1 . 1 . . . . . 296 VAL N . 51913 1 238 . 1 . 1 94 94 GLN H H 1 10.501 0.001 . 1 . . . . . 297 GLN H . 51913 1 239 . 1 . 1 94 94 GLN CA C 13 57.2 0.1 . 1 . . . . . 297 GLN CA . 51913 1 240 . 1 . 1 94 94 GLN N N 15 123.3 0.1 . 1 . . . . . 297 GLN N . 51913 1 241 . 1 . 1 95 95 GLU H H 1 7.517 0.001 . 1 . . . . . 298 GLU H . 51913 1 242 . 1 . 1 95 95 GLU CA C 13 59.0 0.1 . 1 . . . . . 298 GLU CA . 51913 1 243 . 1 . 1 95 95 GLU N N 15 121.4 0.1 . 1 . . . . . 298 GLU N . 51913 1 244 . 1 . 1 96 96 LEU H H 1 7.726 0.001 . 1 . . . . . 299 LEU H . 51913 1 245 . 1 . 1 96 96 LEU CA C 13 56.6 0.1 . 1 . . . . . 299 LEU CA . 51913 1 246 . 1 . 1 96 96 LEU N N 15 119.6 0.1 . 1 . . . . . 299 LEU N . 51913 1 247 . 1 . 1 97 97 CYS H H 1 7.860 0.001 . 1 . . . . . 300 CYS H . 51913 1 248 . 1 . 1 97 97 CYS CA C 13 63.1 0.1 . 1 . . . . . 300 CYS CA . 51913 1 249 . 1 . 1 97 97 CYS N N 15 118.2 0.1 . 1 . . . . . 300 CYS N . 51913 1 250 . 1 . 1 98 98 ARG H H 1 7.858 0.001 . 1 . . . . . 301 ARG H . 51913 1 251 . 1 . 1 98 98 ARG CA C 13 58.4 0.1 . 1 . . . . . 301 ARG CA . 51913 1 252 . 1 . 1 98 98 ARG N N 15 116.8 0.1 . 1 . . . . . 301 ARG N . 51913 1 253 . 1 . 1 99 99 VAL H H 1 7.355 0.001 . 1 . . . . . 302 VAL H . 51913 1 254 . 1 . 1 99 99 VAL CA C 13 65.7 0.1 . 1 . . . . . 302 VAL CA . 51913 1 255 . 1 . 1 99 99 VAL CB C 13 30.8 0.1 . 1 . . . . . 302 VAL CB . 51913 1 256 . 1 . 1 99 99 VAL N N 15 118.6 0.1 . 1 . . . . . 302 VAL N . 51913 1 257 . 1 . 1 100 100 LEU H H 1 7.550 0.001 . 1 . . . . . 303 LEU H . 51913 1 258 . 1 . 1 100 100 LEU CA C 13 57.8 0.1 . 1 . . . . . 303 LEU CA . 51913 1 259 . 1 . 1 100 100 LEU CB C 13 40.0 0.1 . 1 . . . . . 303 LEU CB . 51913 1 260 . 1 . 1 100 100 LEU N N 15 119.7 0.1 . 1 . . . . . 303 LEU N . 51913 1 261 . 1 . 1 101 101 LEU H H 1 8.635 0.001 . 1 . . . . . 304 LEU H . 51913 1 262 . 1 . 1 101 101 LEU CA C 13 57.2 0.1 . 1 . . . . . 304 LEU CA . 51913 1 263 . 1 . 1 101 101 LEU CB C 13 38.7 0.1 . 1 . . . . . 304 LEU CB . 51913 1 264 . 1 . 1 101 101 LEU N N 15 116.5 0.1 . 1 . . . . . 304 LEU N . 51913 1 265 . 1 . 1 102 102 ASP H H 1 8.886 0.001 . 1 . . . . . 305 ASP H . 51913 1 266 . 1 . 1 102 102 ASP CA C 13 57.2 0.1 . 1 . . . . . 305 ASP CA . 51913 1 267 . 1 . 1 102 102 ASP CB C 13 39.4 0.1 . 1 . . . . . 305 ASP CB . 51913 1 268 . 1 . 1 102 102 ASP N N 15 120.6 0.1 . 1 . . . . . 305 ASP N . 51913 1 269 . 1 . 1 103 103 ASN H H 1 7.277 0.001 . 1 . . . . . 306 ASN H . 51913 1 270 . 1 . 1 103 103 ASN CA C 13 56.9 0.1 . 1 . . . . . 306 ASN CA . 51913 1 271 . 1 . 1 103 103 ASN CB C 13 39.6 0.1 . 1 . . . . . 306 ASN CB . 51913 1 272 . 1 . 1 103 103 ASN N N 15 116.6 0.1 . 1 . . . . . 306 ASN N . 51913 1 273 . 1 . 1 104 104 VAL H H 1 7.681 0.001 . 1 . . . . . 307 VAL H . 51913 1 274 . 1 . 1 104 104 VAL CA C 13 65.1 0.1 . 1 . . . . . 307 VAL CA . 51913 1 275 . 1 . 1 104 104 VAL CB C 13 29.9 0.1 . 1 . . . . . 307 VAL CB . 51913 1 276 . 1 . 1 104 104 VAL N N 15 114.9 0.1 . 1 . . . . . 307 VAL N . 51913 1 277 . 1 . 1 105 105 GLU H H 1 8.931 0.001 . 1 . . . . . 308 GLU H . 51913 1 278 . 1 . 1 105 105 GLU CA C 13 59.0 0.1 . 1 . . . . . 308 GLU CA . 51913 1 279 . 1 . 1 105 105 GLU CB C 13 27.9 0.1 . 1 . . . . . 308 GLU CB . 51913 1 280 . 1 . 1 105 105 GLU N N 15 123.4 0.1 . 1 . . . . . 308 GLU N . 51913 1 281 . 1 . 1 106 106 ASN H H 1 7.971 0.001 . 1 . . . . . 309 ASN H . 51913 1 282 . 1 . 1 106 106 ASN CA C 13 56.4 0.1 . 1 . . . . . 309 ASN CA . 51913 1 283 . 1 . 1 106 106 ASN CB C 13 37.8 0.1 . 1 . . . . . 309 ASN CB . 51913 1 284 . 1 . 1 106 106 ASN N N 15 117.1 0.1 . 1 . . . . . 309 ASN N . 51913 1 285 . 1 . 1 107 107 LYS H H 1 7.384 0.001 . 1 . . . . . 310 LYS H . 51913 1 286 . 1 . 1 107 107 LYS CA C 13 54.9 0.1 . 1 . . . . . 310 LYS CA . 51913 1 287 . 1 . 1 107 107 LYS CB C 13 31.0 0.1 . 1 . . . . . 310 LYS CB . 51913 1 288 . 1 . 1 107 107 LYS N N 15 120.8 0.1 . 1 . . . . . 310 LYS N . 51913 1 289 . 1 . 1 108 108 MET H H 1 7.668 0.001 . 1 . . . . . 311 MET H . 51913 1 290 . 1 . 1 108 108 MET CA C 13 56.1 0.1 . 1 . . . . . 311 MET CA . 51913 1 291 . 1 . 1 108 108 MET CB C 13 31.4 0.1 . 1 . . . . . 311 MET CB . 51913 1 292 . 1 . 1 108 108 MET N N 15 114.6 0.1 . 1 . . . . . 311 MET N . 51913 1 293 . 1 . 1 109 109 LYS H H 1 7.427 0.001 . 1 . . . . . 312 LYS H . 51913 1 294 . 1 . 1 109 109 LYS CA C 13 58.7 0.1 . 1 . . . . . 312 LYS CA . 51913 1 295 . 1 . 1 109 109 LYS CB C 13 31.1 0.1 . 1 . . . . . 312 LYS CB . 51913 1 296 . 1 . 1 109 109 LYS N N 15 124.6 0.1 . 1 . . . . . 312 LYS N . 51913 1 297 . 1 . 1 110 110 GLY H H 1 9.759 0.001 . 1 . . . . . 313 GLY H . 51913 1 298 . 1 . 1 110 110 GLY CA C 13 45.4 0.1 . 1 . . . . . 313 GLY CA . 51913 1 299 . 1 . 1 110 110 GLY N N 15 113.7 0.1 . 1 . . . . . 313 GLY N . 51913 1 300 . 1 . 1 111 111 THR H H 1 7.651 0.001 . 1 . . . . . 314 THR H . 51913 1 301 . 1 . 1 111 111 THR CA C 13 60.0 0.1 . 1 . . . . . 314 THR CA . 51913 1 302 . 1 . 1 111 111 THR CB C 13 72.9 0.1 . 1 . . . . . 314 THR CB . 51913 1 303 . 1 . 1 111 111 THR N N 15 109.1 0.1 . 1 . . . . . 314 THR N . 51913 1 304 . 1 . 1 112 112 CYS CA C 13 59.0 0.1 . 1 . . . . . 315 CYS CA . 51913 1 305 . 1 . 1 113 113 VAL H H 1 7.822 0.001 . 1 . . . . . 316 VAL H . 51913 1 306 . 1 . 1 113 113 VAL CA C 13 60.0 0.1 . 1 . . . . . 316 VAL CA . 51913 1 307 . 1 . 1 113 113 VAL CB C 13 30.2 0.1 . 1 . . . . . 316 VAL CB . 51913 1 308 . 1 . 1 113 113 VAL N N 15 112.3 0.1 . 1 . . . . . 316 VAL N . 51913 1 309 . 1 . 1 114 114 GLU H H 1 7.473 0.001 . 1 . . . . . 317 GLU H . 51913 1 310 . 1 . 1 114 114 GLU CA C 13 58.8 0.1 . 1 . . . . . 317 GLU CA . 51913 1 311 . 1 . 1 114 114 GLU CB C 13 28.7 0.1 . 1 . . . . . 317 GLU CB . 51913 1 312 . 1 . 1 114 114 GLU N N 15 125.8 0.1 . 1 . . . . . 317 GLU N . 51913 1 313 . 1 . 1 115 115 GLY H H 1 8.275 0.001 . 1 . . . . . 318 GLY H . 51913 1 314 . 1 . 1 115 115 GLY CA C 13 44.3 0.1 . 1 . . . . . 318 GLY CA . 51913 1 315 . 1 . 1 115 115 GLY N N 15 109.7 0.1 . 1 . . . . . 318 GLY N . 51913 1 316 . 1 . 1 116 116 THR H H 1 7.943 0.001 . 1 . . . . . 319 THR H . 51913 1 317 . 1 . 1 116 116 THR CA C 13 67.9 0.1 . 1 . . . . . 319 THR CA . 51913 1 318 . 1 . 1 116 116 THR N N 15 120.4 0.1 . 1 . . . . . 319 THR N . 51913 1 319 . 1 . 1 117 117 ILE H H 1 8.939 0.001 . 1 . . . . . 320 ILE H . 51913 1 320 . 1 . 1 117 117 ILE CA C 13 65.8 0.1 . 1 . . . . . 320 ILE CA . 51913 1 321 . 1 . 1 117 117 ILE CB C 13 32.2 0.1 . 1 . . . . . 320 ILE CB . 51913 1 322 . 1 . 1 117 117 ILE N N 15 119.3 0.1 . 1 . . . . . 320 ILE N . 51913 1 323 . 1 . 1 118 118 PRO CA C 13 64.7 0.1 . 1 . . . . . 321 PRO CA . 51913 1 324 . 1 . 1 119 119 LYS H H 1 7.566 0.001 . 1 . . . . . 322 LYS H . 51913 1 325 . 1 . 1 119 119 LYS CA C 13 59.4 0.1 . 1 . . . . . 322 LYS CA . 51913 1 326 . 1 . 1 119 119 LYS CB C 13 31.2 0.1 . 1 . . . . . 322 LYS CB . 51913 1 327 . 1 . 1 119 119 LYS N N 15 116.5 0.1 . 1 . . . . . 322 LYS N . 51913 1 328 . 1 . 1 120 120 LEU H H 1 7.538 0.001 . 1 . . . . . 323 LEU H . 51913 1 329 . 1 . 1 120 120 LEU CA C 13 56.7 0.1 . 1 . . . . . 323 LEU CA . 51913 1 330 . 1 . 1 120 120 LEU CB C 13 43.3 0.1 . 1 . . . . . 323 LEU CB . 51913 1 331 . 1 . 1 120 120 LEU N N 15 116.6 0.1 . 1 . . . . . 323 LEU N . 51913 1 332 . 1 . 1 121 121 PHE H H 1 7.836 0.001 . 1 . . . . . 324 PHE H . 51913 1 333 . 1 . 1 121 121 PHE CA C 13 58.6 0.1 . 1 . . . . . 324 PHE CA . 51913 1 334 . 1 . 1 121 121 PHE CB C 13 42.2 0.1 . 1 . . . . . 324 PHE CB . 51913 1 335 . 1 . 1 121 121 PHE N N 15 111.0 0.1 . 1 . . . . . 324 PHE N . 51913 1 336 . 1 . 1 122 122 ARG H H 1 7.616 0.001 . 1 . . . . . 325 ARG H . 51913 1 337 . 1 . 1 122 122 ARG CA C 13 54.6 0.1 . 1 . . . . . 325 ARG CA . 51913 1 338 . 1 . 1 122 122 ARG CB C 13 31.2 0.1 . 1 . . . . . 325 ARG CB . 51913 1 339 . 1 . 1 122 122 ARG N N 15 115.6 0.1 . 1 . . . . . 325 ARG N . 51913 1 340 . 1 . 1 123 123 GLY H H 1 8.155 0.001 . 1 . . . . . 326 GLY H . 51913 1 341 . 1 . 1 123 123 GLY CA C 13 42.3 0.1 . 1 . . . . . 326 GLY CA . 51913 1 342 . 1 . 1 123 123 GLY N N 15 116.0 0.1 . 1 . . . . . 326 GLY N . 51913 1 343 . 1 . 1 124 124 LYS H H 1 7.710 0.001 . 1 . . . . . 327 LYS H . 51913 1 344 . 1 . 1 124 124 LYS CA C 13 54.6 0.1 . 1 . . . . . 327 LYS CA . 51913 1 345 . 1 . 1 124 124 LYS CB C 13 35.5 0.1 . 1 . . . . . 327 LYS CB . 51913 1 346 . 1 . 1 124 124 LYS N N 15 117.7 0.1 . 1 . . . . . 327 LYS N . 51913 1 347 . 1 . 1 125 125 MET H H 1 9.721 0.001 . 1 . . . . . 328 MET H . 51913 1 348 . 1 . 1 125 125 MET CA C 13 54.2 0.1 . 1 . . . . . 328 MET CA . 51913 1 349 . 1 . 1 125 125 MET CB C 13 36.7 0.1 . 1 . . . . . 328 MET CB . 51913 1 350 . 1 . 1 125 125 MET N N 15 125.0 0.1 . 1 . . . . . 328 MET N . 51913 1 351 . 1 . 1 126 126 VAL H H 1 9.145 0.001 . 1 . . . . . 329 VAL H . 51913 1 352 . 1 . 1 126 126 VAL CA C 13 59.2 0.1 . 1 . . . . . 329 VAL CA . 51913 1 353 . 1 . 1 126 126 VAL CB C 13 34.5 0.1 . 1 . . . . . 329 VAL CB . 51913 1 354 . 1 . 1 126 126 VAL N N 15 120.2 0.1 . 1 . . . . . 329 VAL N . 51913 1 355 . 1 . 1 127 127 SER H H 1 8.796 0.001 . 1 . . . . . 330 SER H . 51913 1 356 . 1 . 1 127 127 SER CA C 13 56.1 0.1 . 1 . . . . . 330 SER CA . 51913 1 357 . 1 . 1 127 127 SER CB C 13 63.4 0.1 . 1 . . . . . 330 SER CB . 51913 1 358 . 1 . 1 127 127 SER N N 15 122.9 0.1 . 1 . . . . . 330 SER N . 51913 1 359 . 1 . 1 128 128 TYR H H 1 8.917 0.001 . 1 . . . . . 331 TYR H . 51913 1 360 . 1 . 1 128 128 TYR CA C 13 55.1 0.1 . 1 . . . . . 331 TYR CA . 51913 1 361 . 1 . 1 128 128 TYR CB C 13 42.4 0.1 . 1 . . . . . 331 TYR CB . 51913 1 362 . 1 . 1 128 128 TYR N N 15 124.7 0.1 . 1 . . . . . 331 TYR N . 51913 1 363 . 1 . 1 129 129 ILE H H 1 8.454 0.001 . 1 . . . . . 332 ILE H . 51913 1 364 . 1 . 1 129 129 ILE CA C 13 60.3 0.1 . 1 . . . . . 332 ILE CA . 51913 1 365 . 1 . 1 129 129 ILE CB C 13 39.9 0.1 . 1 . . . . . 332 ILE CB . 51913 1 366 . 1 . 1 129 129 ILE N N 15 119.8 0.1 . 1 . . . . . 332 ILE N . 51913 1 367 . 1 . 1 130 130 GLN H H 1 9.349 0.001 . 1 . . . . . 333 GLN H . 51913 1 368 . 1 . 1 130 130 GLN CA C 13 53.1 0.1 . 1 . . . . . 333 GLN CA . 51913 1 369 . 1 . 1 130 130 GLN CB C 13 31.2 0.1 . 1 . . . . . 333 GLN CB . 51913 1 370 . 1 . 1 130 130 GLN N N 15 125.2 0.1 . 1 . . . . . 333 GLN N . 51913 1 371 . 1 . 1 131 131 CYS H H 1 8.732 0.001 . 1 . . . . . 334 CYS H . 51913 1 372 . 1 . 1 131 131 CYS CA C 13 61.3 0.1 . 1 . . . . . 334 CYS CA . 51913 1 373 . 1 . 1 131 131 CYS CB C 13 28.2 0.1 . 1 . . . . . 334 CYS CB . 51913 1 374 . 1 . 1 131 131 CYS N N 15 125.6 0.1 . 1 . . . . . 334 CYS N . 51913 1 375 . 1 . 1 132 132 LYS H H 1 8.079 0.001 . 1 . . . . . 335 LYS H . 51913 1 376 . 1 . 1 132 132 LYS CA C 13 58.3 0.1 . 1 . . . . . 335 LYS CA . 51913 1 377 . 1 . 1 132 132 LYS CB C 13 32.8 0.1 . 1 . . . . . 335 LYS CB . 51913 1 378 . 1 . 1 132 132 LYS N N 15 121.4 0.1 . 1 . . . . . 335 LYS N . 51913 1 379 . 1 . 1 133 133 GLU H H 1 9.672 0.001 . 1 . . . . . 336 GLU H . 51913 1 380 . 1 . 1 133 133 GLU CA C 13 56.0 0.1 . 1 . . . . . 336 GLU CA . 51913 1 381 . 1 . 1 133 133 GLU CB C 13 30.3 0.1 . 1 . . . . . 336 GLU CB . 51913 1 382 . 1 . 1 133 133 GLU N N 15 116.5 0.1 . 1 . . . . . 336 GLU N . 51913 1 383 . 1 . 1 134 134 VAL H H 1 6.910 0.001 . 1 . . . . . 337 VAL H . 51913 1 384 . 1 . 1 134 134 VAL CA C 13 58.3 0.1 . 1 . . . . . 337 VAL CA . 51913 1 385 . 1 . 1 134 134 VAL CB C 13 34.0 0.1 . 1 . . . . . 337 VAL CB . 51913 1 386 . 1 . 1 134 134 VAL N N 15 110.7 0.1 . 1 . . . . . 337 VAL N . 51913 1 387 . 1 . 1 135 135 ASP H H 1 8.427 0.001 . 1 . . . . . 338 ASP H . 51913 1 388 . 1 . 1 135 135 ASP CA C 13 52.9 0.1 . 1 . . . . . 338 ASP CA . 51913 1 389 . 1 . 1 135 135 ASP CB C 13 38.4 0.1 . 1 . . . . . 338 ASP CB . 51913 1 390 . 1 . 1 135 135 ASP N N 15 122.3 0.1 . 1 . . . . . 338 ASP N . 51913 1 391 . 1 . 1 136 136 TYR H H 1 7.576 0.001 . 1 . . . . . 339 TYR H . 51913 1 392 . 1 . 1 136 136 TYR CA C 13 58.6 0.1 . 1 . . . . . 339 TYR CA . 51913 1 393 . 1 . 1 136 136 TYR CB C 13 39.8 0.1 . 1 . . . . . 339 TYR CB . 51913 1 394 . 1 . 1 136 136 TYR N N 15 125.0 0.1 . 1 . . . . . 339 TYR N . 51913 1 395 . 1 . 1 137 137 ARG H H 1 7.808 0.001 . 1 . . . . . 340 ARG H . 51913 1 396 . 1 . 1 137 137 ARG CA C 13 53.6 0.1 . 1 . . . . . 340 ARG CA . 51913 1 397 . 1 . 1 137 137 ARG CB C 13 32.5 0.1 . 1 . . . . . 340 ARG CB . 51913 1 398 . 1 . 1 137 137 ARG N N 15 128.9 0.1 . 1 . . . . . 340 ARG N . 51913 1 399 . 1 . 1 138 138 SER H H 1 8.840 0.001 . 1 . . . . . 341 SER H . 51913 1 400 . 1 . 1 138 138 SER CA C 13 56.2 0.1 . 1 . . . . . 341 SER CA . 51913 1 401 . 1 . 1 138 138 SER CB C 13 64.2 0.1 . 1 . . . . . 341 SER CB . 51913 1 402 . 1 . 1 138 138 SER N N 15 118.2 0.1 . 1 . . . . . 341 SER N . 51913 1 403 . 1 . 1 139 139 ASP H H 1 8.527 0.001 . 1 . . . . . 342 ASP H . 51913 1 404 . 1 . 1 139 139 ASP CA C 13 53.4 0.1 . 1 . . . . . 342 ASP CA . 51913 1 405 . 1 . 1 139 139 ASP CB C 13 43.7 0.1 . 1 . . . . . 342 ASP CB . 51913 1 406 . 1 . 1 139 139 ASP N N 15 125.8 0.1 . 1 . . . . . 342 ASP N . 51913 1 407 . 1 . 1 140 140 ARG H H 1 8.818 0.001 . 1 . . . . . 343 ARG H . 51913 1 408 . 1 . 1 140 140 ARG CA C 13 54.9 0.1 . 1 . . . . . 343 ARG CA . 51913 1 409 . 1 . 1 140 140 ARG CB C 13 31.6 0.1 . 1 . . . . . 343 ARG CB . 51913 1 410 . 1 . 1 140 140 ARG N N 15 122.2 0.1 . 1 . . . . . 343 ARG N . 51913 1 411 . 1 . 1 141 141 ARG H H 1 8.868 0.001 . 1 . . . . . 344 ARG H . 51913 1 412 . 1 . 1 141 141 ARG CA C 13 55.2 0.1 . 1 . . . . . 344 ARG CA . 51913 1 413 . 1 . 1 141 141 ARG CB C 13 30.1 0.1 . 1 . . . . . 344 ARG CB . 51913 1 414 . 1 . 1 141 141 ARG N N 15 127.2 0.1 . 1 . . . . . 344 ARG N . 51913 1 415 . 1 . 1 142 142 GLU H H 1 8.886 0.001 . 1 . . . . . 345 GLU H . 51913 1 416 . 1 . 1 142 142 GLU CA C 13 54.8 0.1 . 1 . . . . . 345 GLU CA . 51913 1 417 . 1 . 1 142 142 GLU CB C 13 33.4 0.1 . 1 . . . . . 345 GLU CB . 51913 1 418 . 1 . 1 142 142 GLU N N 15 123.3 0.1 . 1 . . . . . 345 GLU N . 51913 1 419 . 1 . 1 143 143 ASP H H 1 8.638 0.001 . 1 . . . . . 346 ASP H . 51913 1 420 . 1 . 1 143 143 ASP CA C 13 53.2 0.1 . 1 . . . . . 346 ASP CA . 51913 1 421 . 1 . 1 143 143 ASP CB C 13 42.0 0.1 . 1 . . . . . 346 ASP CB . 51913 1 422 . 1 . 1 143 143 ASP N N 15 123.6 0.1 . 1 . . . . . 346 ASP N . 51913 1 423 . 1 . 1 144 144 TYR H H 1 8.258 0.001 . 1 . . . . . 347 TYR H . 51913 1 424 . 1 . 1 144 144 TYR CA C 13 56.7 0.1 . 1 . . . . . 347 TYR CA . 51913 1 425 . 1 . 1 144 144 TYR CB C 13 40.1 0.1 . 1 . . . . . 347 TYR CB . 51913 1 426 . 1 . 1 144 144 TYR N N 15 118.2 0.1 . 1 . . . . . 347 TYR N . 51913 1 427 . 1 . 1 145 145 TYR H H 1 9.137 0.001 . 1 . . . . . 348 TYR H . 51913 1 428 . 1 . 1 145 145 TYR CA C 13 57.0 0.1 . 1 . . . . . 348 TYR CA . 51913 1 429 . 1 . 1 145 145 TYR CB C 13 40.1 0.1 . 1 . . . . . 348 TYR CB . 51913 1 430 . 1 . 1 145 145 TYR N N 15 119.4 0.1 . 1 . . . . . 348 TYR N . 51913 1 431 . 1 . 1 146 146 ASP H H 1 8.133 0.001 . 1 . . . . . 349 ASP H . 51913 1 432 . 1 . 1 146 146 ASP CA C 13 52.0 0.1 . 1 . . . . . 349 ASP CA . 51913 1 433 . 1 . 1 146 146 ASP N N 15 117.7 0.1 . 1 . . . . . 349 ASP N . 51913 1 434 . 1 . 1 147 147 ILE H H 1 8.093 0.001 . 1 . . . . . 350 ILE H . 51913 1 435 . 1 . 1 147 147 ILE CA C 13 59.8 0.1 . 1 . . . . . 350 ILE CA . 51913 1 436 . 1 . 1 147 147 ILE CB C 13 40.2 0.1 . 1 . . . . . 350 ILE CB . 51913 1 437 . 1 . 1 147 147 ILE N N 15 118.7 0.1 . 1 . . . . . 350 ILE N . 51913 1 438 . 1 . 1 148 148 GLN H H 1 8.115 0.001 . 1 . . . . . 351 GLN H . 51913 1 439 . 1 . 1 148 148 GLN CA C 13 55.4 0.1 . 1 . . . . . 351 GLN CA . 51913 1 440 . 1 . 1 148 148 GLN CB C 13 28.8 0.1 . 1 . . . . . 351 GLN CB . 51913 1 441 . 1 . 1 148 148 GLN N N 15 125.2 0.1 . 1 . . . . . 351 GLN N . 51913 1 442 . 1 . 1 149 149 LEU H H 1 8.491 0.001 . 1 . . . . . 352 LEU H . 51913 1 443 . 1 . 1 149 149 LEU CA C 13 52.2 0.1 . 1 . . . . . 352 LEU CA . 51913 1 444 . 1 . 1 149 149 LEU CB C 13 42.0 0.1 . 1 . . . . . 352 LEU CB . 51913 1 445 . 1 . 1 149 149 LEU N N 15 122.5 0.1 . 1 . . . . . 352 LEU N . 51913 1 446 . 1 . 1 150 150 SER H H 1 8.855 0.001 . 1 . . . . . 353 SER H . 51913 1 447 . 1 . 1 150 150 SER CA C 13 58.2 0.1 . 1 . . . . . 353 SER CA . 51913 1 448 . 1 . 1 150 150 SER CB C 13 62.6 0.1 . 1 . . . . . 353 SER CB . 51913 1 449 . 1 . 1 150 150 SER N N 15 118.4 0.1 . 1 . . . . . 353 SER N . 51913 1 450 . 1 . 1 151 151 ILE H H 1 8.734 0.001 . 1 . . . . . 354 ILE H . 51913 1 451 . 1 . 1 151 151 ILE CA C 13 59.3 0.1 . 1 . . . . . 354 ILE CA . 51913 1 452 . 1 . 1 151 151 ILE CB C 13 38.6 0.1 . 1 . . . . . 354 ILE CB . 51913 1 453 . 1 . 1 151 151 ILE N N 15 119.2 0.1 . 1 . . . . . 354 ILE N . 51913 1 454 . 1 . 1 152 152 LYS CA C 13 57.1 0.1 . 1 . . . . . 355 LYS CA . 51913 1 455 . 1 . 1 153 153 GLY H H 1 9.906 0.001 . 1 . . . . . 356 GLY H . 51913 1 456 . 1 . 1 153 153 GLY CA C 13 45.4 0.1 . 1 . . . . . 356 GLY CA . 51913 1 457 . 1 . 1 153 153 GLY N N 15 118.1 0.1 . 1 . . . . . 356 GLY N . 51913 1 458 . 1 . 1 154 154 LYS H H 1 8.432 0.001 . 1 . . . . . 357 LYS H . 51913 1 459 . 1 . 1 154 154 LYS CA C 13 53.9 0.1 . 1 . . . . . 357 LYS CA . 51913 1 460 . 1 . 1 154 154 LYS CB C 13 32.9 0.1 . 1 . . . . . 357 LYS CB . 51913 1 461 . 1 . 1 154 154 LYS N N 15 121.5 0.1 . 1 . . . . . 357 LYS N . 51913 1 462 . 1 . 1 155 155 LYS H H 1 8.993 0.001 . 1 . . . . . 358 LYS H . 51913 1 463 . 1 . 1 155 155 LYS CA C 13 57.0 0.1 . 1 . . . . . 358 LYS CA . 51913 1 464 . 1 . 1 155 155 LYS CB C 13 32.8 0.1 . 1 . . . . . 358 LYS CB . 51913 1 465 . 1 . 1 155 155 LYS N N 15 119.5 0.1 . 1 . . . . . 358 LYS N . 51913 1 466 . 1 . 1 156 156 ASN H H 1 7.084 0.001 . 1 . . . . . 359 ASN H . 51913 1 467 . 1 . 1 156 156 ASN CA C 13 50.8 0.1 . 1 . . . . . 359 ASN CA . 51913 1 468 . 1 . 1 156 156 ASN CB C 13 40.8 0.1 . 1 . . . . . 359 ASN CB . 51913 1 469 . 1 . 1 156 156 ASN N N 15 109.9 0.1 . 1 . . . . . 359 ASN N . 51913 1 470 . 1 . 1 157 157 ILE H H 1 6.941 0.001 . 1 . . . . . 360 ILE H . 51913 1 471 . 1 . 1 157 157 ILE CA C 13 63.5 0.1 . 1 . . . . . 360 ILE CA . 51913 1 472 . 1 . 1 157 157 ILE CB C 13 38.8 0.1 . 1 . . . . . 360 ILE CB . 51913 1 473 . 1 . 1 157 157 ILE N N 15 116.9 0.1 . 1 . . . . . 360 ILE N . 51913 1 474 . 1 . 1 158 158 PHE H H 1 7.911 0.001 . 1 . . . . . 361 PHE H . 51913 1 475 . 1 . 1 158 158 PHE CA C 13 62.1 0.1 . 1 . . . . . 361 PHE CA . 51913 1 476 . 1 . 1 158 158 PHE CB C 13 37.2 0.1 . 1 . . . . . 361 PHE CB . 51913 1 477 . 1 . 1 158 158 PHE N N 15 123.9 0.1 . 1 . . . . . 361 PHE N . 51913 1 478 . 1 . 1 159 159 GLU H H 1 8.055 0.001 . 1 . . . . . 362 GLU H . 51913 1 479 . 1 . 1 159 159 GLU CA C 13 59.1 0.1 . 1 . . . . . 362 GLU CA . 51913 1 480 . 1 . 1 159 159 GLU N N 15 117.3 0.1 . 1 . . . . . 362 GLU N . 51913 1 481 . 1 . 1 160 160 SER H H 1 7.860 0.001 . 1 . . . . . 363 SER H . 51913 1 482 . 1 . 1 160 160 SER CA C 13 63.3 0.1 . 1 . . . . . 363 SER CA . 51913 1 483 . 1 . 1 160 160 SER N N 15 114.9 0.1 . 1 . . . . . 363 SER N . 51913 1 484 . 1 . 1 161 161 PHE H H 1 8.239 0.001 . 1 . . . . . 364 PHE H . 51913 1 485 . 1 . 1 161 161 PHE CA C 13 63.2 0.1 . 1 . . . . . 364 PHE CA . 51913 1 486 . 1 . 1 161 161 PHE N N 15 124.2 0.1 . 1 . . . . . 364 PHE N . 51913 1 487 . 1 . 1 162 162 VAL H H 1 8.265 0.001 . 1 . . . . . 365 VAL H . 51913 1 488 . 1 . 1 162 162 VAL CA C 13 66.5 0.1 . 1 . . . . . 365 VAL CA . 51913 1 489 . 1 . 1 162 162 VAL CB C 13 30.8 0.1 . 1 . . . . . 365 VAL CB . 51913 1 490 . 1 . 1 162 162 VAL N N 15 119.3 0.1 . 1 . . . . . 365 VAL N . 51913 1 491 . 1 . 1 163 163 ASP H H 1 7.550 0.001 . 1 . . . . . 366 ASP H . 51913 1 492 . 1 . 1 163 163 ASP CA C 13 56.6 0.1 . 1 . . . . . 366 ASP CA . 51913 1 493 . 1 . 1 163 163 ASP CB C 13 41.7 0.1 . 1 . . . . . 366 ASP CB . 51913 1 494 . 1 . 1 163 163 ASP N N 15 118.1 0.1 . 1 . . . . . 366 ASP N . 51913 1 495 . 1 . 1 164 164 TYR H H 1 8.133 0.001 . 1 . . . . . 367 TYR H . 51913 1 496 . 1 . 1 164 164 TYR CA C 13 61.3 0.1 . 1 . . . . . 367 TYR CA . 51913 1 497 . 1 . 1 164 164 TYR CB C 13 38.4 0.1 . 1 . . . . . 367 TYR CB . 51913 1 498 . 1 . 1 164 164 TYR N N 15 123.1 0.1 . 1 . . . . . 367 TYR N . 51913 1 499 . 1 . 1 165 165 VAL H H 1 7.531 0.001 . 1 . . . . . 368 VAL H . 51913 1 500 . 1 . 1 165 165 VAL CA C 13 60.1 0.1 . 1 . . . . . 368 VAL CA . 51913 1 501 . 1 . 1 165 165 VAL CB C 13 30.5 0.1 . 1 . . . . . 368 VAL CB . 51913 1 502 . 1 . 1 165 165 VAL N N 15 106.4 0.1 . 1 . . . . . 368 VAL N . 51913 1 503 . 1 . 1 166 166 ALA H H 1 7.390 0.001 . 1 . . . . . 369 ALA H . 51913 1 504 . 1 . 1 166 166 ALA CA C 13 52.7 0.1 . 1 . . . . . 369 ALA CA . 51913 1 505 . 1 . 1 166 166 ALA CB C 13 18.4 0.1 . 1 . . . . . 369 ALA CB . 51913 1 506 . 1 . 1 166 166 ALA N N 15 127.9 0.1 . 1 . . . . . 369 ALA N . 51913 1 507 . 1 . 1 167 167 VAL H H 1 8.375 0.001 . 1 . . . . . 370 VAL H . 51913 1 508 . 1 . 1 167 167 VAL CA C 13 61.3 0.1 . 1 . . . . . 370 VAL CA . 51913 1 509 . 1 . 1 167 167 VAL CB C 13 32.1 0.1 . 1 . . . . . 370 VAL CB . 51913 1 510 . 1 . 1 167 167 VAL N N 15 121.3 0.1 . 1 . . . . . 370 VAL N . 51913 1 511 . 1 . 1 168 168 GLU H H 1 9.366 0.001 . 1 . . . . . 371 GLU H . 51913 1 512 . 1 . 1 168 168 GLU CA C 13 54.2 0.1 . 1 . . . . . 371 GLU CA . 51913 1 513 . 1 . 1 168 168 GLU CB C 13 31.5 0.1 . 1 . . . . . 371 GLU CB . 51913 1 514 . 1 . 1 168 168 GLU N N 15 128.2 0.1 . 1 . . . . . 371 GLU N . 51913 1 515 . 1 . 1 169 169 GLN H H 1 8.728 0.001 . 1 . . . . . 372 GLN H . 51913 1 516 . 1 . 1 169 169 GLN CA C 13 54.7 0.1 . 1 . . . . . 372 GLN CA . 51913 1 517 . 1 . 1 169 169 GLN CB C 13 27.7 0.1 . 1 . . . . . 372 GLN CB . 51913 1 518 . 1 . 1 169 169 GLN N N 15 122.8 0.1 . 1 . . . . . 372 GLN N . 51913 1 519 . 1 . 1 170 170 LEU H H 1 8.943 0.001 . 1 . . . . . 373 LEU H . 51913 1 520 . 1 . 1 170 170 LEU CA C 13 54.0 0.1 . 1 . . . . . 373 LEU CA . 51913 1 521 . 1 . 1 170 170 LEU CB C 13 38.6 0.1 . 1 . . . . . 373 LEU CB . 51913 1 522 . 1 . 1 170 170 LEU N N 15 128.0 0.1 . 1 . . . . . 373 LEU N . 51913 1 523 . 1 . 1 171 171 ASP H H 1 7.712 0.001 . 1 . . . . . 374 ASP H . 51913 1 524 . 1 . 1 171 171 ASP CA C 13 51.6 0.1 . 1 . . . . . 374 ASP CA . 51913 1 525 . 1 . 1 171 171 ASP CB C 13 41.5 0.1 . 1 . . . . . 374 ASP CB . 51913 1 526 . 1 . 1 171 171 ASP N N 15 121.1 0.1 . 1 . . . . . 374 ASP N . 51913 1 527 . 1 . 1 172 172 GLY H H 1 8.981 0.001 . 1 . . . . . 375 GLY H . 51913 1 528 . 1 . 1 172 172 GLY CA C 13 46.9 0.1 . 1 . . . . . 375 GLY CA . 51913 1 529 . 1 . 1 172 172 GLY N N 15 109.1 0.1 . 1 . . . . . 375 GLY N . 51913 1 530 . 1 . 1 173 173 ASP H H 1 8.706 0.001 . 1 . . . . . 376 ASP H . 51913 1 531 . 1 . 1 173 173 ASP CA C 13 55.1 0.1 . 1 . . . . . 376 ASP CA . 51913 1 532 . 1 . 1 173 173 ASP CB C 13 39.7 0.1 . 1 . . . . . 376 ASP CB . 51913 1 533 . 1 . 1 173 173 ASP N N 15 126.3 0.1 . 1 . . . . . 376 ASP N . 51913 1 534 . 1 . 1 174 174 ASN H H 1 8.462 0.001 . 1 . . . . . 377 ASN H . 51913 1 535 . 1 . 1 174 174 ASN CA C 13 51.8 0.1 . 1 . . . . . 377 ASN CA . 51913 1 536 . 1 . 1 174 174 ASN CB C 13 38.8 0.1 . 1 . . . . . 377 ASN CB . 51913 1 537 . 1 . 1 174 174 ASN N N 15 119.2 0.1 . 1 . . . . . 377 ASN N . 51913 1 538 . 1 . 1 175 175 LYS H H 1 6.787 0.001 . 1 . . . . . 378 LYS H . 51913 1 539 . 1 . 1 175 175 LYS CA C 13 57.9 0.1 . 1 . . . . . 378 LYS CA . 51913 1 540 . 1 . 1 175 175 LYS CB C 13 33.2 0.1 . 1 . . . . . 378 LYS CB . 51913 1 541 . 1 . 1 175 175 LYS N N 15 116.5 0.1 . 1 . . . . . 378 LYS N . 51913 1 542 . 1 . 1 176 176 TYR H H 1 8.168 0.001 . 1 . . . . . 379 TYR H . 51913 1 543 . 1 . 1 176 176 TYR CA C 13 56.3 0.1 . 1 . . . . . 379 TYR CA . 51913 1 544 . 1 . 1 176 176 TYR CB C 13 40.6 0.1 . 1 . . . . . 379 TYR CB . 51913 1 545 . 1 . 1 176 176 TYR N N 15 121.7 0.1 . 1 . . . . . 379 TYR N . 51913 1 546 . 1 . 1 177 177 ASP H H 1 7.832 0.001 . 1 . . . . . 380 ASP H . 51913 1 547 . 1 . 1 177 177 ASP CA C 13 53.4 0.1 . 1 . . . . . 380 ASP CA . 51913 1 548 . 1 . 1 177 177 ASP CB C 13 38.5 0.1 . 1 . . . . . 380 ASP CB . 51913 1 549 . 1 . 1 177 177 ASP N N 15 127.1 0.1 . 1 . . . . . 380 ASP N . 51913 1 550 . 1 . 1 178 178 ALA H H 1 7.755 0.001 . 1 . . . . . 381 ALA H . 51913 1 551 . 1 . 1 178 178 ALA CA C 13 49.7 0.1 . 1 . . . . . 381 ALA CA . 51913 1 552 . 1 . 1 178 178 ALA CB C 13 17.4 0.1 . 1 . . . . . 381 ALA CB . 51913 1 553 . 1 . 1 178 178 ALA N N 15 131.3 0.1 . 1 . . . . . 381 ALA N . 51913 1 554 . 1 . 1 179 179 GLY H H 1 7.733 0.001 . 1 . . . . . 382 GLY H . 51913 1 555 . 1 . 1 179 179 GLY CA C 13 46.7 0.1 . 1 . . . . . 382 GLY CA . 51913 1 556 . 1 . 1 179 179 GLY N N 15 108.2 0.1 . 1 . . . . . 382 GLY N . 51913 1 557 . 1 . 1 180 180 GLU CA C 13 57.8 0.1 . 1 . . . . . 383 GLU CA . 51913 1 558 . 1 . 1 181 181 HIS H H 1 7.471 0.001 . 1 . . . . . 384 HIS H . 51913 1 559 . 1 . 1 181 181 HIS CA C 13 55.7 0.1 . 1 . . . . . 384 HIS CA . 51913 1 560 . 1 . 1 181 181 HIS CB C 13 29.9 0.1 . 1 . . . . . 384 HIS CB . 51913 1 561 . 1 . 1 181 181 HIS N N 15 116.8 0.1 . 1 . . . . . 384 HIS N . 51913 1 562 . 1 . 1 182 182 GLY H H 1 7.715 0.001 . 1 . . . . . 385 GLY H . 51913 1 563 . 1 . 1 182 182 GLY CA C 13 44.1 0.1 . 1 . . . . . 385 GLY CA . 51913 1 564 . 1 . 1 182 182 GLY N N 15 109.3 0.1 . 1 . . . . . 385 GLY N . 51913 1 565 . 1 . 1 183 183 LEU H H 1 8.058 0.001 . 1 . . . . . 386 LEU H . 51913 1 566 . 1 . 1 183 183 LEU CA C 13 54.6 0.1 . 1 . . . . . 386 LEU CA . 51913 1 567 . 1 . 1 183 183 LEU CB C 13 40.6 0.1 . 1 . . . . . 386 LEU CB . 51913 1 568 . 1 . 1 183 183 LEU N N 15 120.3 0.1 . 1 . . . . . 386 LEU N . 51913 1 569 . 1 . 1 184 184 GLN H H 1 9.451 0.001 . 1 . . . . . 387 GLN H . 51913 1 570 . 1 . 1 184 184 GLN CA C 13 53.3 0.1 . 1 . . . . . 387 GLN CA . 51913 1 571 . 1 . 1 184 184 GLN CB C 13 33.1 0.1 . 1 . . . . . 387 GLN CB . 51913 1 572 . 1 . 1 184 184 GLN N N 15 123.3 0.1 . 1 . . . . . 387 GLN N . 51913 1 573 . 1 . 1 185 185 GLU H H 1 9.124 0.001 . 1 . . . . . 388 GLU H . 51913 1 574 . 1 . 1 185 185 GLU CA C 13 57.0 0.1 . 1 . . . . . 388 GLU CA . 51913 1 575 . 1 . 1 185 185 GLU CB C 13 28.7 0.1 . 1 . . . . . 388 GLU CB . 51913 1 576 . 1 . 1 185 185 GLU N N 15 122.3 0.1 . 1 . . . . . 388 GLU N . 51913 1 577 . 1 . 1 186 186 ALA H H 1 9.207 0.001 . 1 . . . . . 389 ALA H . 51913 1 578 . 1 . 1 186 186 ALA CA C 13 51.1 0.1 . 1 . . . . . 389 ALA CA . 51913 1 579 . 1 . 1 186 186 ALA CB C 13 23.5 0.1 . 1 . . . . . 389 ALA CB . 51913 1 580 . 1 . 1 186 186 ALA N N 15 127.6 0.1 . 1 . . . . . 389 ALA N . 51913 1 581 . 1 . 1 187 187 GLU H H 1 8.661 0.001 . 1 . . . . . 390 GLU H . 51913 1 582 . 1 . 1 187 187 GLU CA C 13 54.2 0.1 . 1 . . . . . 390 GLU CA . 51913 1 583 . 1 . 1 187 187 GLU CB C 13 32.4 0.1 . 1 . . . . . 390 GLU CB . 51913 1 584 . 1 . 1 187 187 GLU N N 15 119.2 0.1 . 1 . . . . . 390 GLU N . 51913 1 585 . 1 . 1 188 188 LYS H H 1 8.833 0.001 . 1 . . . . . 391 LYS H . 51913 1 586 . 1 . 1 188 188 LYS CA C 13 53.1 0.1 . 1 . . . . . 391 LYS CA . 51913 1 587 . 1 . 1 188 188 LYS CB C 13 36.3 0.1 . 1 . . . . . 391 LYS CB . 51913 1 588 . 1 . 1 188 188 LYS N N 15 123.7 0.1 . 1 . . . . . 391 LYS N . 51913 1 589 . 1 . 1 189 189 GLY H H 1 7.174 0.001 . 1 . . . . . 392 GLY H . 51913 1 590 . 1 . 1 189 189 GLY CA C 13 44.6 0.1 . 1 . . . . . 392 GLY CA . 51913 1 591 . 1 . 1 189 189 GLY N N 15 110.1 0.1 . 1 . . . . . 392 GLY N . 51913 1 592 . 1 . 1 190 190 VAL H H 1 7.822 0.001 . 1 . . . . . 393 VAL H . 51913 1 593 . 1 . 1 190 190 VAL CA C 13 59.4 0.1 . 1 . . . . . 393 VAL CA . 51913 1 594 . 1 . 1 190 190 VAL CB C 13 34.6 0.1 . 1 . . . . . 393 VAL CB . 51913 1 595 . 1 . 1 190 190 VAL N N 15 118.0 0.1 . 1 . . . . . 393 VAL N . 51913 1 596 . 1 . 1 191 191 LYS H H 1 8.904 0.001 . 1 . . . . . 394 LYS H . 51913 1 597 . 1 . 1 191 191 LYS CA C 13 53.8 0.1 . 1 . . . . . 394 LYS CA . 51913 1 598 . 1 . 1 191 191 LYS CB C 13 36.2 0.1 . 1 . . . . . 394 LYS CB . 51913 1 599 . 1 . 1 191 191 LYS N N 15 121.5 0.1 . 1 . . . . . 394 LYS N . 51913 1 600 . 1 . 1 192 192 PHE H H 1 8.140 0.001 . 1 . . . . . 395 PHE H . 51913 1 601 . 1 . 1 192 192 PHE CA C 13 59.9 0.1 . 1 . . . . . 395 PHE CA . 51913 1 602 . 1 . 1 192 192 PHE CB C 13 38.5 0.1 . 1 . . . . . 395 PHE CB . 51913 1 603 . 1 . 1 192 192 PHE N N 15 119.6 0.1 . 1 . . . . . 395 PHE N . 51913 1 604 . 1 . 1 193 193 LEU H H 1 9.221 0.001 . 1 . . . . . 396 LEU H . 51913 1 605 . 1 . 1 193 193 LEU CA C 13 55.5 0.1 . 1 . . . . . 396 LEU CA . 51913 1 606 . 1 . 1 193 193 LEU N N 15 123.7 0.1 . 1 . . . . . 396 LEU N . 51913 1 607 . 1 . 1 194 194 THR H H 1 8.620 0.001 . 1 . . . . . 397 THR H . 51913 1 608 . 1 . 1 194 194 THR CA C 13 59.3 0.1 . 1 . . . . . 397 THR CA . 51913 1 609 . 1 . 1 194 194 THR CB C 13 71.8 0.1 . 1 . . . . . 397 THR CB . 51913 1 610 . 1 . 1 194 194 THR N N 15 109.2 0.1 . 1 . . . . . 397 THR N . 51913 1 611 . 1 . 1 195 195 LEU H H 1 8.435 0.001 . 1 . . . . . 398 LEU H . 51913 1 612 . 1 . 1 195 195 LEU CA C 13 52.0 0.1 . 1 . . . . . 398 LEU CA . 51913 1 613 . 1 . 1 195 195 LEU CB C 13 44.7 0.1 . 1 . . . . . 398 LEU CB . 51913 1 614 . 1 . 1 195 195 LEU N N 15 124.2 0.1 . 1 . . . . . 398 LEU N . 51913 1 615 . 1 . 1 197 197 PRO CA C 13 65.9 0.1 . 1 . . . . . 400 PRO CA . 51913 1 616 . 1 . 1 198 198 VAL H H 1 7.951 0.001 . 1 . . . . . 401 VAL H . 51913 1 617 . 1 . 1 198 198 VAL CA C 13 61.5 0.1 . 1 . . . . . 401 VAL CA . 51913 1 618 . 1 . 1 198 198 VAL CB C 13 30.1 0.1 . 1 . . . . . 401 VAL CB . 51913 1 619 . 1 . 1 198 198 VAL N N 15 114.9 0.1 . 1 . . . . . 401 VAL N . 51913 1 620 . 1 . 1 199 199 LEU H H 1 9.339 0.001 . 1 . . . . . 402 LEU H . 51913 1 621 . 1 . 1 199 199 LEU CA C 13 52.9 0.1 . 1 . . . . . 402 LEU CA . 51913 1 622 . 1 . 1 199 199 LEU CB C 13 44.5 0.1 . 1 . . . . . 402 LEU CB . 51913 1 623 . 1 . 1 199 199 LEU N N 15 127.7 0.1 . 1 . . . . . 402 LEU N . 51913 1 624 . 1 . 1 200 200 HIS H H 1 9.597 0.001 . 1 . . . . . 403 HIS H . 51913 1 625 . 1 . 1 200 200 HIS CA C 13 54.5 0.1 . 1 . . . . . 403 HIS CA . 51913 1 626 . 1 . 1 200 200 HIS CB C 13 32.4 0.1 . 1 . . . . . 403 HIS CB . 51913 1 627 . 1 . 1 200 200 HIS N N 15 128.7 0.1 . 1 . . . . . 403 HIS N . 51913 1 628 . 1 . 1 201 201 LEU H H 1 8.652 0.001 . 1 . . . . . 404 LEU H . 51913 1 629 . 1 . 1 201 201 LEU CA C 13 51.7 0.1 . 1 . . . . . 404 LEU CA . 51913 1 630 . 1 . 1 201 201 LEU CB C 13 42.7 0.1 . 1 . . . . . 404 LEU CB . 51913 1 631 . 1 . 1 201 201 LEU N N 15 120.6 0.1 . 1 . . . . . 404 LEU N . 51913 1 632 . 1 . 1 202 202 GLN H H 1 9.068 0.001 . 1 . . . . . 405 GLN H . 51913 1 633 . 1 . 1 202 202 GLN CA C 13 56.7 0.1 . 1 . . . . . 405 GLN CA . 51913 1 634 . 1 . 1 202 202 GLN CB C 13 28.1 0.1 . 1 . . . . . 405 GLN CB . 51913 1 635 . 1 . 1 202 202 GLN N N 15 120.6 0.1 . 1 . . . . . 405 GLN N . 51913 1 636 . 1 . 1 203 203 LEU H H 1 8.162 0.001 . 1 . . . . . 406 LEU H . 51913 1 637 . 1 . 1 203 203 LEU CA C 13 52.0 0.1 . 1 . . . . . 406 LEU CA . 51913 1 638 . 1 . 1 203 203 LEU N N 15 121.7 0.1 . 1 . . . . . 406 LEU N . 51913 1 639 . 1 . 1 204 204 MET H H 1 7.899 0.001 . 1 . . . . . 407 MET H . 51913 1 640 . 1 . 1 204 204 MET CA C 13 56.8 0.1 . 1 . . . . . 407 MET CA . 51913 1 641 . 1 . 1 204 204 MET CB C 13 29.6 0.1 . 1 . . . . . 407 MET CB . 51913 1 642 . 1 . 1 204 204 MET N N 15 125.3 0.1 . 1 . . . . . 407 MET N . 51913 1 643 . 1 . 1 207 207 MET CA C 13 53.5 0.1 . 1 . . . . . 410 MET CA . 51913 1 644 . 1 . 1 207 207 MET CB C 13 34.4 0.1 . 1 . . . . . 410 MET CB . 51913 1 645 . 1 . 1 208 208 TYR H H 1 8.565 0.001 . 1 . . . . . 411 TYR H . 51913 1 646 . 1 . 1 208 208 TYR CA C 13 58.9 0.1 . 1 . . . . . 411 TYR CA . 51913 1 647 . 1 . 1 208 208 TYR CB C 13 37.8 0.1 . 1 . . . . . 411 TYR CB . 51913 1 648 . 1 . 1 208 208 TYR N N 15 124.6 0.1 . 1 . . . . . 411 TYR N . 51913 1 649 . 1 . 1 209 209 ASP H H 1 8.110 0.001 . 1 . . . . . 412 ASP H . 51913 1 650 . 1 . 1 209 209 ASP CA C 13 49.4 0.1 . 1 . . . . . 412 ASP CA . 51913 1 651 . 1 . 1 209 209 ASP CB C 13 42.5 0.1 . 1 . . . . . 412 ASP CB . 51913 1 652 . 1 . 1 209 209 ASP N N 15 129.6 0.1 . 1 . . . . . 412 ASP N . 51913 1 653 . 1 . 1 210 210 PRO CA C 13 63.3 0.1 . 1 . . . . . 413 PRO CA . 51913 1 654 . 1 . 1 210 210 PRO CB C 13 31.3 0.1 . 1 . . . . . 413 PRO CB . 51913 1 655 . 1 . 1 211 211 GLN H H 1 7.825 0.001 . 1 . . . . . 414 GLN H . 51913 1 656 . 1 . 1 211 211 GLN CA C 13 58.3 0.1 . 1 . . . . . 414 GLN CA . 51913 1 657 . 1 . 1 211 211 GLN CB C 13 27.5 0.1 . 1 . . . . . 414 GLN CB . 51913 1 658 . 1 . 1 211 211 GLN N N 15 115.7 0.1 . 1 . . . . . 414 GLN N . 51913 1 659 . 1 . 1 212 212 THR H H 1 7.068 0.001 . 1 . . . . . 415 THR H . 51913 1 660 . 1 . 1 212 212 THR CA C 13 61.0 0.1 . 1 . . . . . 415 THR CA . 51913 1 661 . 1 . 1 212 212 THR CB C 13 69.5 0.1 . 1 . . . . . 415 THR CB . 51913 1 662 . 1 . 1 212 212 THR N N 15 106.6 0.1 . 1 . . . . . 415 THR N . 51913 1 663 . 1 . 1 213 213 ASP H H 1 8.003 0.001 . 1 . . . . . 416 ASP H . 51913 1 664 . 1 . 1 213 213 ASP CA C 13 54.4 0.1 . 1 . . . . . 416 ASP CA . 51913 1 665 . 1 . 1 213 213 ASP CB C 13 38.8 0.1 . 1 . . . . . 416 ASP CB . 51913 1 666 . 1 . 1 213 213 ASP N N 15 122.4 0.1 . 1 . . . . . 416 ASP N . 51913 1 667 . 1 . 1 214 214 GLN H H 1 7.111 0.001 . 1 . . . . . 417 GLN H . 51913 1 668 . 1 . 1 214 214 GLN CA C 13 53.4 0.1 . 1 . . . . . 417 GLN CA . 51913 1 669 . 1 . 1 214 214 GLN CB C 13 31.5 0.1 . 1 . . . . . 417 GLN CB . 51913 1 670 . 1 . 1 214 214 GLN N N 15 113.6 0.1 . 1 . . . . . 417 GLN N . 51913 1 671 . 1 . 1 215 215 ASN H H 1 8.351 0.001 . 1 . . . . . 418 ASN H . 51913 1 672 . 1 . 1 215 215 ASN CA C 13 52.2 0.1 . 1 . . . . . 418 ASN CA . 51913 1 673 . 1 . 1 215 215 ASN CB C 13 36.9 0.1 . 1 . . . . . 418 ASN CB . 51913 1 674 . 1 . 1 215 215 ASN N N 15 120.0 0.1 . 1 . . . . . 418 ASN N . 51913 1 675 . 1 . 1 216 216 ILE H H 1 8.671 0.001 . 1 . . . . . 419 ILE H . 51913 1 676 . 1 . 1 216 216 ILE CA C 13 59.3 0.1 . 1 . . . . . 419 ILE CA . 51913 1 677 . 1 . 1 216 216 ILE CB C 13 40.8 0.1 . 1 . . . . . 419 ILE CB . 51913 1 678 . 1 . 1 216 216 ILE N N 15 121.1 0.1 . 1 . . . . . 419 ILE N . 51913 1 679 . 1 . 1 217 217 LYS CA C 13 55.8 0.1 . 1 . . . . . 420 LYS CA . 51913 1 680 . 1 . 1 218 218 ILE H H 1 9.543 0.001 . 1 . . . . . 421 ILE H . 51913 1 681 . 1 . 1 218 218 ILE CA C 13 59.6 0.1 . 1 . . . . . 421 ILE CA . 51913 1 682 . 1 . 1 218 218 ILE CB C 13 37.9 0.1 . 1 . . . . . 421 ILE CB . 51913 1 683 . 1 . 1 218 218 ILE N N 15 127.2 0.1 . 1 . . . . . 421 ILE N . 51913 1 684 . 1 . 1 219 219 ASN H H 1 9.069 0.001 . 1 . . . . . 422 ASN H . 51913 1 685 . 1 . 1 219 219 ASN CA C 13 53.9 0.1 . 1 . . . . . 422 ASN CA . 51913 1 686 . 1 . 1 219 219 ASN CB C 13 39.2 0.1 . 1 . . . . . 422 ASN CB . 51913 1 687 . 1 . 1 219 219 ASN N N 15 125.7 0.1 . 1 . . . . . 422 ASN N . 51913 1 688 . 1 . 1 220 220 ASP H H 1 7.549 0.001 . 1 . . . . . 423 ASP H . 51913 1 689 . 1 . 1 220 220 ASP CA C 13 54.7 0.1 . 1 . . . . . 423 ASP CA . 51913 1 690 . 1 . 1 220 220 ASP CB C 13 40.1 0.1 . 1 . . . . . 423 ASP CB . 51913 1 691 . 1 . 1 220 220 ASP N N 15 116.7 0.1 . 1 . . . . . 423 ASP N . 51913 1 692 . 1 . 1 221 221 ARG H H 1 8.739 0.001 . 1 . . . . . 424 ARG H . 51913 1 693 . 1 . 1 221 221 ARG CA C 13 56.3 0.1 . 1 . . . . . 424 ARG CA . 51913 1 694 . 1 . 1 221 221 ARG CB C 13 29.2 0.1 . 1 . . . . . 424 ARG CB . 51913 1 695 . 1 . 1 221 221 ARG N N 15 122.9 0.1 . 1 . . . . . 424 ARG N . 51913 1 696 . 1 . 1 222 222 PHE H H 1 9.330 0.001 . 1 . . . . . 425 PHE H . 51913 1 697 . 1 . 1 222 222 PHE CA C 13 58.6 0.1 . 1 . . . . . 425 PHE CA . 51913 1 698 . 1 . 1 222 222 PHE CB C 13 40.8 0.1 . 1 . . . . . 425 PHE CB . 51913 1 699 . 1 . 1 222 222 PHE N N 15 129.8 0.1 . 1 . . . . . 425 PHE N . 51913 1 700 . 1 . 1 223 223 GLU H H 1 7.470 0.001 . 1 . . . . . 426 GLU H . 51913 1 701 . 1 . 1 223 223 GLU CA C 13 55.2 0.1 . 1 . . . . . 426 GLU CA . 51913 1 702 . 1 . 1 223 223 GLU CB C 13 29.2 0.1 . 1 . . . . . 426 GLU CB . 51913 1 703 . 1 . 1 223 223 GLU N N 15 126.0 0.1 . 1 . . . . . 426 GLU N . 51913 1 704 . 1 . 1 224 224 PHE H H 1 5.700 0.001 . 1 . . . . . 427 PHE H . 51913 1 705 . 1 . 1 224 224 PHE CB C 13 39.0 0.1 . 1 . . . . . 427 PHE CB . 51913 1 706 . 1 . 1 224 224 PHE N N 15 115.5 0.1 . 1 . . . . . 427 PHE N . 51913 1 707 . 1 . 1 225 225 PRO CA C 13 61.3 0.1 . 1 . . . . . 428 PRO CA . 51913 1 708 . 1 . 1 225 225 PRO CB C 13 32.4 0.1 . 1 . . . . . 428 PRO CB . 51913 1 709 . 1 . 1 226 226 GLU H H 1 8.922 0.001 . 1 . . . . . 429 GLU H . 51913 1 710 . 1 . 1 226 226 GLU CA C 13 58.4 0.1 . 1 . . . . . 429 GLU CA . 51913 1 711 . 1 . 1 226 226 GLU CB C 13 29.9 0.1 . 1 . . . . . 429 GLU CB . 51913 1 712 . 1 . 1 226 226 GLU N N 15 119.5 0.1 . 1 . . . . . 429 GLU N . 51913 1 713 . 1 . 1 227 227 GLN H H 1 7.798 0.001 . 1 . . . . . 430 GLN H . 51913 1 714 . 1 . 1 227 227 GLN CA C 13 54.6 0.1 . 1 . . . . . 430 GLN CA . 51913 1 715 . 1 . 1 227 227 GLN CB C 13 29.6 0.1 . 1 . . . . . 430 GLN CB . 51913 1 716 . 1 . 1 227 227 GLN N N 15 116.3 0.1 . 1 . . . . . 430 GLN N . 51913 1 717 . 1 . 1 228 228 LEU H H 1 9.379 0.001 . 1 . . . . . 431 LEU H . 51913 1 718 . 1 . 1 228 228 LEU CA C 13 50.8 0.1 . 1 . . . . . 431 LEU CA . 51913 1 719 . 1 . 1 228 228 LEU CB C 13 45.6 0.1 . 1 . . . . . 431 LEU CB . 51913 1 720 . 1 . 1 228 228 LEU N N 15 126.9 0.1 . 1 . . . . . 431 LEU N . 51913 1 721 . 1 . 1 229 229 PRO CA C 13 61.7 0.1 . 1 . . . . . 432 PRO CA . 51913 1 722 . 1 . 1 230 230 LEU H H 1 8.880 0.001 . 1 . . . . . 433 LEU H . 51913 1 723 . 1 . 1 230 230 LEU CA C 13 53.6 0.1 . 1 . . . . . 433 LEU CA . 51913 1 724 . 1 . 1 230 230 LEU N N 15 123.6 0.1 . 1 . . . . . 433 LEU N . 51913 1 725 . 1 . 1 231 231 ASP H H 1 8.121 0.001 . 1 . . . . . 434 ASP H . 51913 1 726 . 1 . 1 231 231 ASP CA C 13 57.7 0.1 . 1 . . . . . 434 ASP CA . 51913 1 727 . 1 . 1 231 231 ASP CB C 13 40.1 0.1 . 1 . . . . . 434 ASP CB . 51913 1 728 . 1 . 1 231 231 ASP N N 15 121.6 0.1 . 1 . . . . . 434 ASP N . 51913 1 729 . 1 . 1 232 232 GLU H H 1 8.209 0.001 . 1 . . . . . 435 GLU H . 51913 1 730 . 1 . 1 232 232 GLU CA C 13 57.6 0.1 . 1 . . . . . 435 GLU CA . 51913 1 731 . 1 . 1 232 232 GLU CB C 13 28.3 0.1 . 1 . . . . . 435 GLU CB . 51913 1 732 . 1 . 1 232 232 GLU N N 15 114.6 0.1 . 1 . . . . . 435 GLU N . 51913 1 733 . 1 . 1 233 233 PHE H H 1 7.609 0.001 . 1 . . . . . 436 PHE H . 51913 1 734 . 1 . 1 233 233 PHE CA C 13 57.6 0.1 . 1 . . . . . 436 PHE CA . 51913 1 735 . 1 . 1 233 233 PHE CB C 13 37.9 0.1 . 1 . . . . . 436 PHE CB . 51913 1 736 . 1 . 1 233 233 PHE N N 15 117.7 0.1 . 1 . . . . . 436 PHE N . 51913 1 737 . 1 . 1 234 234 LEU H H 1 7.205 0.001 . 1 . . . . . 437 LEU H . 51913 1 738 . 1 . 1 234 234 LEU CA C 13 53.1 0.1 . 1 . . . . . 437 LEU CA . 51913 1 739 . 1 . 1 234 234 LEU CB C 13 43.0 0.1 . 1 . . . . . 437 LEU CB . 51913 1 740 . 1 . 1 234 234 LEU N N 15 119.1 0.1 . 1 . . . . . 437 LEU N . 51913 1 741 . 1 . 1 235 235 GLN H H 1 8.635 0.001 . 1 . . . . . 438 GLN H . 51913 1 742 . 1 . 1 235 235 GLN CA C 13 58.2 0.1 . 1 . . . . . 438 GLN CA . 51913 1 743 . 1 . 1 235 235 GLN CB C 13 28.4 0.1 . 1 . . . . . 438 GLN CB . 51913 1 744 . 1 . 1 235 235 GLN N N 15 121.3 0.1 . 1 . . . . . 438 GLN N . 51913 1 745 . 1 . 1 236 236 LYS H H 1 7.876 0.001 . 1 . . . . . 439 LYS H . 51913 1 746 . 1 . 1 236 236 LYS CA C 13 54.9 0.1 . 1 . . . . . 439 LYS CA . 51913 1 747 . 1 . 1 236 236 LYS CB C 13 34.3 0.1 . 1 . . . . . 439 LYS CB . 51913 1 748 . 1 . 1 236 236 LYS N N 15 117.4 0.1 . 1 . . . . . 439 LYS N . 51913 1 749 . 1 . 1 237 237 THR H H 1 8.440 0.001 . 1 . . . . . 440 THR H . 51913 1 750 . 1 . 1 237 237 THR CA C 13 60.8 0.1 . 1 . . . . . 440 THR CA . 51913 1 751 . 1 . 1 237 237 THR CB C 13 69.6 0.1 . 1 . . . . . 440 THR CB . 51913 1 752 . 1 . 1 237 237 THR N N 15 118.0 0.1 . 1 . . . . . 440 THR N . 51913 1 753 . 1 . 1 238 238 ASP H H 1 8.872 0.001 . 1 . . . . . 441 ASP H . 51913 1 754 . 1 . 1 238 238 ASP CA C 13 49.6 0.1 . 1 . . . . . 441 ASP CA . 51913 1 755 . 1 . 1 238 238 ASP CB C 13 42.0 0.1 . 1 . . . . . 441 ASP CB . 51913 1 756 . 1 . 1 238 238 ASP N N 15 121.5 0.1 . 1 . . . . . 441 ASP N . 51913 1 757 . 1 . 1 239 239 PRO CA C 13 63.8 0.1 . 1 . . . . . 442 PRO CA . 51913 1 758 . 1 . 1 240 240 LYS H H 1 8.117 0.001 . 1 . . . . . 443 LYS H . 51913 1 759 . 1 . 1 240 240 LYS CA C 13 55.5 0.1 . 1 . . . . . 443 LYS CA . 51913 1 760 . 1 . 1 240 240 LYS CB C 13 31.3 0.1 . 1 . . . . . 443 LYS CB . 51913 1 761 . 1 . 1 240 240 LYS N N 15 115.0 0.1 . 1 . . . . . 443 LYS N . 51913 1 762 . 1 . 1 241 241 ASP H H 1 7.488 0.001 . 1 . . . . . 444 ASP H . 51913 1 763 . 1 . 1 241 241 ASP CA C 13 51.3 0.1 . 1 . . . . . 444 ASP CA . 51913 1 764 . 1 . 1 241 241 ASP CB C 13 40.0 0.1 . 1 . . . . . 444 ASP CB . 51913 1 765 . 1 . 1 241 241 ASP N N 15 117.7 0.1 . 1 . . . . . 444 ASP N . 51913 1 766 . 1 . 1 242 242 PRO CA C 13 62.4 0.1 . 1 . . . . . 445 PRO CA . 51913 1 767 . 1 . 1 242 242 PRO CB C 13 31.3 0.1 . 1 . . . . . 445 PRO CB . 51913 1 768 . 1 . 1 243 243 ALA H H 1 9.240 0.001 . 1 . . . . . 446 ALA H . 51913 1 769 . 1 . 1 243 243 ALA CA C 13 49.9 0.1 . 1 . . . . . 446 ALA CA . 51913 1 770 . 1 . 1 243 243 ALA CB C 13 16.3 0.1 . 1 . . . . . 446 ALA CB . 51913 1 771 . 1 . 1 243 243 ALA N N 15 130.6 0.1 . 1 . . . . . 446 ALA N . 51913 1 772 . 1 . 1 244 244 ASN H H 1 7.647 0.001 . 1 . . . . . 447 ASN H . 51913 1 773 . 1 . 1 244 244 ASN CA C 13 51.7 0.1 . 1 . . . . . 447 ASN CA . 51913 1 774 . 1 . 1 244 244 ASN CB C 13 38.8 0.1 . 1 . . . . . 447 ASN CB . 51913 1 775 . 1 . 1 244 244 ASN N N 15 121.5 0.1 . 1 . . . . . 447 ASN N . 51913 1 776 . 1 . 1 245 245 TYR H H 1 8.655 0.001 . 1 . . . . . 448 TYR H . 51913 1 777 . 1 . 1 245 245 TYR CA C 13 58.0 0.1 . 1 . . . . . 448 TYR CA . 51913 1 778 . 1 . 1 245 245 TYR CB C 13 39.9 0.1 . 1 . . . . . 448 TYR CB . 51913 1 779 . 1 . 1 245 245 TYR N N 15 125.3 0.1 . 1 . . . . . 448 TYR N . 51913 1 780 . 1 . 1 246 246 ILE H H 1 9.634 0.001 . 1 . . . . . 449 ILE H . 51913 1 781 . 1 . 1 246 246 ILE CA C 13 58.4 0.1 . 1 . . . . . 449 ILE CA . 51913 1 782 . 1 . 1 246 246 ILE CB C 13 39.1 0.1 . 1 . . . . . 449 ILE CB . 51913 1 783 . 1 . 1 246 246 ILE N N 15 123.1 0.1 . 1 . . . . . 449 ILE N . 51913 1 784 . 1 . 1 247 247 LEU H H 1 8.921 0.001 . 1 . . . . . 450 LEU H . 51913 1 785 . 1 . 1 247 247 LEU CA C 13 56.7 0.1 . 1 . . . . . 450 LEU CA . 51913 1 786 . 1 . 1 247 247 LEU CB C 13 42.0 0.1 . 1 . . . . . 450 LEU CB . 51913 1 787 . 1 . 1 247 247 LEU N N 15 129.4 0.1 . 1 . . . . . 450 LEU N . 51913 1 788 . 1 . 1 248 248 HIS H H 1 9.687 0.001 . 1 . . . . . 451 HIS H . 51913 1 789 . 1 . 1 248 248 HIS N N 15 129.4 0.1 . 1 . . . . . 451 HIS N . 51913 1 790 . 1 . 1 249 249 ALA CA C 13 50.4 0.1 . 1 . . . . . 452 ALA CA . 51913 1 791 . 1 . 1 250 250 VAL H H 1 9.296 0.001 . 1 . . . . . 453 VAL H . 51913 1 792 . 1 . 1 250 250 VAL CA C 13 61.2 0.1 . 1 . . . . . 453 VAL CA . 51913 1 793 . 1 . 1 250 250 VAL N N 15 119.9 0.1 . 1 . . . . . 453 VAL N . 51913 1 794 . 1 . 1 251 251 LEU H H 1 9.080 0.001 . 1 . . . . . 454 LEU H . 51913 1 795 . 1 . 1 251 251 LEU CA C 13 58.5 0.1 . 1 . . . . . 454 LEU CA . 51913 1 796 . 1 . 1 251 251 LEU CB C 13 39.0 0.1 . 1 . . . . . 454 LEU CB . 51913 1 797 . 1 . 1 251 251 LEU N N 15 131.5 0.1 . 1 . . . . . 454 LEU N . 51913 1 798 . 1 . 1 252 252 VAL H H 1 8.877 0.001 . 1 . . . . . 455 VAL H . 51913 1 799 . 1 . 1 252 252 VAL CA C 13 61.1 0.1 . 1 . . . . . 455 VAL CA . 51913 1 800 . 1 . 1 252 252 VAL N N 15 123.1 0.1 . 1 . . . . . 455 VAL N . 51913 1 801 . 1 . 1 253 253 HIS H H 1 8.612 0.001 . 1 . . . . . 456 HIS H . 51913 1 802 . 1 . 1 253 253 HIS CA C 13 55.1 0.1 . 1 . . . . . 456 HIS CA . 51913 1 803 . 1 . 1 253 253 HIS CB C 13 34.8 0.1 . 1 . . . . . 456 HIS CB . 51913 1 804 . 1 . 1 253 253 HIS N N 15 127.7 0.1 . 1 . . . . . 456 HIS N . 51913 1 805 . 1 . 1 254 254 SER H H 1 8.146 0.001 . 1 . . . . . 457 SER H . 51913 1 806 . 1 . 1 254 254 SER CA C 13 55.8 0.1 . 1 . . . . . 457 SER CA . 51913 1 807 . 1 . 1 254 254 SER CB C 13 64.2 0.1 . 1 . . . . . 457 SER CB . 51913 1 808 . 1 . 1 254 254 SER N N 15 121.7 0.1 . 1 . . . . . 457 SER N . 51913 1 809 . 1 . 1 255 255 GLY H H 1 7.787 0.001 . 1 . . . . . 458 GLY H . 51913 1 810 . 1 . 1 255 255 GLY CA C 13 43.0 0.1 . 1 . . . . . 458 GLY CA . 51913 1 811 . 1 . 1 255 255 GLY N N 15 112.4 0.1 . 1 . . . . . 458 GLY N . 51913 1 812 . 1 . 1 256 256 ASP CA C 13 55.1 0.1 . 1 . . . . . 459 ASP CA . 51913 1 813 . 1 . 1 257 257 ASN H H 1 8.991 0.001 . 1 . . . . . 460 ASN H . 51913 1 814 . 1 . 1 257 257 ASN CA C 13 54.1 0.1 . 1 . . . . . 460 ASN CA . 51913 1 815 . 1 . 1 257 257 ASN N N 15 120.4 0.1 . 1 . . . . . 460 ASN N . 51913 1 816 . 1 . 1 259 259 GLY H H 1 8.838 0.001 . 1 . . . . . 462 GLY H . 51913 1 817 . 1 . 1 259 259 GLY CA C 13 44.9 0.1 . 1 . . . . . 462 GLY CA . 51913 1 818 . 1 . 1 259 259 GLY N N 15 113.9 0.1 . 1 . . . . . 462 GLY N . 51913 1 819 . 1 . 1 260 260 GLY H H 1 7.867 0.001 . 1 . . . . . 463 GLY H . 51913 1 820 . 1 . 1 260 260 GLY CA C 13 44.3 0.1 . 1 . . . . . 463 GLY CA . 51913 1 821 . 1 . 1 260 260 GLY N N 15 107.5 0.1 . 1 . . . . . 463 GLY N . 51913 1 822 . 1 . 1 261 261 HIS H H 1 7.945 0.001 . 1 . . . . . 464 HIS H . 51913 1 823 . 1 . 1 261 261 HIS CA C 13 53.9 0.1 . 1 . . . . . 464 HIS CA . 51913 1 824 . 1 . 1 261 261 HIS CB C 13 32.1 0.1 . 1 . . . . . 464 HIS CB . 51913 1 825 . 1 . 1 261 261 HIS N N 15 118.3 0.1 . 1 . . . . . 464 HIS N . 51913 1 826 . 1 . 1 262 262 TYR H H 1 9.250 0.001 . 1 . . . . . 465 TYR H . 51913 1 827 . 1 . 1 262 262 TYR N N 15 129.1 0.1 . 1 . . . . . 465 TYR N . 51913 1 828 . 1 . 1 263 263 VAL CA C 13 59.4 0.1 . 1 . . . . . 466 VAL CA . 51913 1 829 . 1 . 1 264 264 VAL H H 1 7.910 0.001 . 1 . . . . . 467 VAL H . 51913 1 830 . 1 . 1 264 264 VAL CA C 13 58.4 0.1 . 1 . . . . . 467 VAL CA . 51913 1 831 . 1 . 1 264 264 VAL CB C 13 35.0 0.1 . 1 . . . . . 467 VAL CB . 51913 1 832 . 1 . 1 264 264 VAL N N 15 118.4 0.1 . 1 . . . . . 467 VAL N . 51913 1 833 . 1 . 1 265 265 TYR H H 1 9.208 0.001 . 1 . . . . . 468 TYR H . 51913 1 834 . 1 . 1 265 265 TYR CA C 13 56.2 0.1 . 1 . . . . . 468 TYR CA . 51913 1 835 . 1 . 1 265 265 TYR CB C 13 39.7 0.1 . 1 . . . . . 468 TYR CB . 51913 1 836 . 1 . 1 265 265 TYR N N 15 127.6 0.1 . 1 . . . . . 468 TYR N . 51913 1 837 . 1 . 1 266 266 LEU H H 1 9.396 0.001 . 1 . . . . . 469 LEU H . 51913 1 838 . 1 . 1 266 266 LEU CA C 13 54.9 0.1 . 1 . . . . . 469 LEU CA . 51913 1 839 . 1 . 1 266 266 LEU CB C 13 49.0 0.1 . 1 . . . . . 469 LEU CB . 51913 1 840 . 1 . 1 266 266 LEU N N 15 124.2 0.1 . 1 . . . . . 469 LEU N . 51913 1 841 . 1 . 1 267 267 ASN H H 1 7.107 0.001 . 1 . . . . . 470 ASN H . 51913 1 842 . 1 . 1 267 267 ASN CB C 13 37.2 0.1 . 1 . . . . . 470 ASN CB . 51913 1 843 . 1 . 1 267 267 ASN N N 15 119.0 0.1 . 1 . . . . . 470 ASN N . 51913 1 844 . 1 . 1 268 268 PRO CA C 13 66.6 0.1 . 1 . . . . . 471 PRO CA . 51913 1 845 . 1 . 1 269 269 LYS H H 1 8.496 0.001 . 1 . . . . . 472 LYS H . 51913 1 846 . 1 . 1 269 269 LYS CA C 13 55.7 0.1 . 1 . . . . . 472 LYS CA . 51913 1 847 . 1 . 1 269 269 LYS CB C 13 31.5 0.1 . 1 . . . . . 472 LYS CB . 51913 1 848 . 1 . 1 269 269 LYS N N 15 113.3 0.1 . 1 . . . . . 472 LYS N . 51913 1 849 . 1 . 1 270 270 GLY H H 1 8.281 0.001 . 1 . . . . . 473 GLY H . 51913 1 850 . 1 . 1 270 270 GLY CA C 13 46.0 0.1 . 1 . . . . . 473 GLY CA . 51913 1 851 . 1 . 1 270 270 GLY N N 15 109.1 0.1 . 1 . . . . . 473 GLY N . 51913 1 852 . 1 . 1 271 271 ASP H H 1 7.814 0.001 . 1 . . . . . 474 ASP H . 51913 1 853 . 1 . 1 271 271 ASP CA C 13 51.9 0.1 . 1 . . . . . 474 ASP CA . 51913 1 854 . 1 . 1 271 271 ASP CB C 13 40.5 0.1 . 1 . . . . . 474 ASP CB . 51913 1 855 . 1 . 1 271 271 ASP N N 15 116.0 0.1 . 1 . . . . . 474 ASP N . 51913 1 856 . 1 . 1 272 272 GLY H H 1 8.948 0.001 . 1 . . . . . 475 GLY H . 51913 1 857 . 1 . 1 272 272 GLY CA C 13 45.1 0.1 . 1 . . . . . 475 GLY CA . 51913 1 858 . 1 . 1 272 272 GLY N N 15 110.5 0.1 . 1 . . . . . 475 GLY N . 51913 1 859 . 1 . 1 273 273 LYS H H 1 7.181 0.001 . 1 . . . . . 476 LYS H . 51913 1 860 . 1 . 1 273 273 LYS CA C 13 54.8 0.1 . 1 . . . . . 476 LYS CA . 51913 1 861 . 1 . 1 273 273 LYS CB C 13 29.4 0.1 . 1 . . . . . 476 LYS CB . 51913 1 862 . 1 . 1 273 273 LYS N N 15 121.1 0.1 . 1 . . . . . 476 LYS N . 51913 1 863 . 1 . 1 274 274 TRP H H 1 8.894 0.001 . 1 . . . . . 477 TRP H . 51913 1 864 . 1 . 1 274 274 TRP HE1 H 1 10.704 0.001 . 1 . . . . . 477 TRP HE1 . 51913 1 865 . 1 . 1 274 274 TRP CA C 13 58.2 0.1 . 1 . . . . . 477 TRP CA . 51913 1 866 . 1 . 1 274 274 TRP CB C 13 30.5 0.1 . 1 . . . . . 477 TRP CB . 51913 1 867 . 1 . 1 274 274 TRP N N 15 125.9 0.1 . 1 . . . . . 477 TRP N . 51913 1 868 . 1 . 1 274 274 TRP NE1 N 15 130.2 0.1 . 1 . . . . . 477 TRP NE1 . 51913 1 869 . 1 . 1 275 275 CYS H H 1 9.415 0.001 . 1 . . . . . 478 CYS H . 51913 1 870 . 1 . 1 275 275 CYS CA C 13 57.6 0.1 . 1 . . . . . 478 CYS CA . 51913 1 871 . 1 . 1 275 275 CYS CB C 13 32.2 0.1 . 1 . . . . . 478 CYS CB . 51913 1 872 . 1 . 1 275 275 CYS N N 15 117.8 0.1 . 1 . . . . . 478 CYS N . 51913 1 873 . 1 . 1 276 276 LYS H H 1 9.372 0.001 . 1 . . . . . 479 LYS H . 51913 1 874 . 1 . 1 276 276 LYS CA C 13 54.8 0.1 . 1 . . . . . 479 LYS CA . 51913 1 875 . 1 . 1 276 276 LYS CB C 13 34.0 0.1 . 1 . . . . . 479 LYS CB . 51913 1 876 . 1 . 1 276 276 LYS N N 15 125.1 0.1 . 1 . . . . . 479 LYS N . 51913 1 877 . 1 . 1 277 277 PHE H H 1 9.247 0.001 . 1 . . . . . 480 PHE H . 51913 1 878 . 1 . 1 277 277 PHE CA C 13 57.1 0.1 . 1 . . . . . 480 PHE CA . 51913 1 879 . 1 . 1 277 277 PHE CB C 13 37.0 0.1 . 1 . . . . . 480 PHE CB . 51913 1 880 . 1 . 1 277 277 PHE N N 15 126.1 0.1 . 1 . . . . . 480 PHE N . 51913 1 881 . 1 . 1 278 278 ASP H H 1 8.842 0.001 . 1 . . . . . 481 ASP H . 51913 1 882 . 1 . 1 278 278 ASP CA C 13 50.9 0.1 . 1 . . . . . 481 ASP CA . 51913 1 883 . 1 . 1 278 278 ASP CB C 13 39.9 0.1 . 1 . . . . . 481 ASP CB . 51913 1 884 . 1 . 1 278 278 ASP N N 15 129.3 0.1 . 1 . . . . . 481 ASP N . 51913 1 885 . 1 . 1 279 279 ASP H H 1 8.495 0.001 . 1 . . . . . 482 ASP H . 51913 1 886 . 1 . 1 279 279 ASP CA C 13 57.5 0.1 . 1 . . . . . 482 ASP CA . 51913 1 887 . 1 . 1 279 279 ASP CB C 13 39.1 0.1 . 1 . . . . . 482 ASP CB . 51913 1 888 . 1 . 1 279 279 ASP N N 15 119.5 0.1 . 1 . . . . . 482 ASP N . 51913 1 889 . 1 . 1 280 280 ASP H H 1 9.227 0.001 . 1 . . . . . 483 ASP H . 51913 1 890 . 1 . 1 280 280 ASP CA C 13 55.3 0.1 . 1 . . . . . 483 ASP CA . 51913 1 891 . 1 . 1 280 280 ASP CB C 13 39.3 0.1 . 1 . . . . . 483 ASP CB . 51913 1 892 . 1 . 1 280 280 ASP N N 15 120.8 0.1 . 1 . . . . . 483 ASP N . 51913 1 893 . 1 . 1 281 281 VAL H H 1 7.981 0.001 . 1 . . . . . 484 VAL H . 51913 1 894 . 1 . 1 281 281 VAL CA C 13 62.4 0.1 . 1 . . . . . 484 VAL CA . 51913 1 895 . 1 . 1 281 281 VAL CB C 13 31.8 0.1 . 1 . . . . . 484 VAL CB . 51913 1 896 . 1 . 1 281 281 VAL N N 15 122.9 0.1 . 1 . . . . . 484 VAL N . 51913 1 897 . 1 . 1 282 282 VAL H H 1 8.497 0.001 . 1 . . . . . 485 VAL H . 51913 1 898 . 1 . 1 282 282 VAL CA C 13 60.0 0.1 . 1 . . . . . 485 VAL CA . 51913 1 899 . 1 . 1 282 282 VAL CB C 13 31.7 0.1 . 1 . . . . . 485 VAL CB . 51913 1 900 . 1 . 1 282 282 VAL N N 15 131.2 0.1 . 1 . . . . . 485 VAL N . 51913 1 901 . 1 . 1 283 283 SER H H 1 8.759 0.001 . 1 . . . . . 486 SER H . 51913 1 902 . 1 . 1 283 283 SER CA C 13 55.7 0.1 . 1 . . . . . 486 SER CA . 51913 1 903 . 1 . 1 283 283 SER CB C 13 65.3 0.1 . 1 . . . . . 486 SER CB . 51913 1 904 . 1 . 1 283 283 SER N N 15 120.7 0.1 . 1 . . . . . 486 SER N . 51913 1 905 . 1 . 1 284 284 ARG H H 1 8.867 0.001 . 1 . . . . . 487 ARG H . 51913 1 906 . 1 . 1 284 284 ARG CA C 13 56.4 0.1 . 1 . . . . . 487 ARG CA . 51913 1 907 . 1 . 1 284 284 ARG CB C 13 29.2 0.1 . 1 . . . . . 487 ARG CB . 51913 1 908 . 1 . 1 284 284 ARG N N 15 123.9 0.1 . 1 . . . . . 487 ARG N . 51913 1 909 . 1 . 1 285 285 CYS H H 1 8.505 0.001 . 1 . . . . . 488 CYS H . 51913 1 910 . 1 . 1 285 285 CYS CA C 13 55.5 0.1 . 1 . . . . . 488 CYS CA . 51913 1 911 . 1 . 1 285 285 CYS CB C 13 31.4 0.1 . 1 . . . . . 488 CYS CB . 51913 1 912 . 1 . 1 285 285 CYS N N 15 119.9 0.1 . 1 . . . . . 488 CYS N . 51913 1 913 . 1 . 1 286 286 THR H H 1 8.528 0.001 . 1 . . . . . 489 THR H . 51913 1 914 . 1 . 1 286 286 THR CA C 13 60.4 0.1 . 1 . . . . . 489 THR CA . 51913 1 915 . 1 . 1 286 286 THR CB C 13 71.0 0.1 . 1 . . . . . 489 THR CB . 51913 1 916 . 1 . 1 286 286 THR N N 15 111.2 0.1 . 1 . . . . . 489 THR N . 51913 1 917 . 1 . 1 287 287 LYS H H 1 8.690 0.001 . 1 . . . . . 490 LYS H . 51913 1 918 . 1 . 1 287 287 LYS CA C 13 59.1 0.1 . 1 . . . . . 490 LYS CA . 51913 1 919 . 1 . 1 287 287 LYS CB C 13 30.9 0.1 . 1 . . . . . 490 LYS CB . 51913 1 920 . 1 . 1 287 287 LYS N N 15 121.3 0.1 . 1 . . . . . 490 LYS N . 51913 1 921 . 1 . 1 288 288 GLU H H 1 8.268 0.001 . 1 . . . . . 491 GLU H . 51913 1 922 . 1 . 1 288 288 GLU CA C 13 59.3 0.1 . 1 . . . . . 491 GLU CA . 51913 1 923 . 1 . 1 288 288 GLU CB C 13 27.3 0.1 . 1 . . . . . 491 GLU CB . 51913 1 924 . 1 . 1 288 288 GLU N N 15 117.8 0.1 . 1 . . . . . 491 GLU N . 51913 1 925 . 1 . 1 289 289 GLU H H 1 6.825 0.001 . 1 . . . . . 492 GLU H . 51913 1 926 . 1 . 1 289 289 GLU CA C 13 57.5 0.1 . 1 . . . . . 492 GLU CA . 51913 1 927 . 1 . 1 289 289 GLU CB C 13 28.9 0.1 . 1 . . . . . 492 GLU CB . 51913 1 928 . 1 . 1 289 289 GLU N N 15 115.9 0.1 . 1 . . . . . 492 GLU N . 51913 1 929 . 1 . 1 290 290 ALA H H 1 6.263 0.001 . 1 . . . . . 493 ALA H . 51913 1 930 . 1 . 1 290 290 ALA CA C 13 52.4 0.1 . 1 . . . . . 493 ALA CA . 51913 1 931 . 1 . 1 290 290 ALA CB C 13 18.9 0.1 . 1 . . . . . 493 ALA CB . 51913 1 932 . 1 . 1 290 290 ALA N N 15 116.1 0.1 . 1 . . . . . 493 ALA N . 51913 1 933 . 1 . 1 291 291 ILE H H 1 7.107 0.001 . 1 . . . . . 494 ILE H . 51913 1 934 . 1 . 1 291 291 ILE CA C 13 61.7 0.1 . 1 . . . . . 494 ILE CA . 51913 1 935 . 1 . 1 291 291 ILE CB C 13 36.2 0.1 . 1 . . . . . 494 ILE CB . 51913 1 936 . 1 . 1 291 291 ILE N N 15 117.0 0.1 . 1 . . . . . 494 ILE N . 51913 1 937 . 1 . 1 292 292 GLU H H 1 7.490 0.001 . 1 . . . . . 495 GLU H . 51913 1 938 . 1 . 1 292 292 GLU CA C 13 58.5 0.1 . 1 . . . . . 495 GLU CA . 51913 1 939 . 1 . 1 292 292 GLU CB C 13 27.9 0.1 . 1 . . . . . 495 GLU CB . 51913 1 940 . 1 . 1 292 292 GLU N N 15 119.0 0.1 . 1 . . . . . 495 GLU N . 51913 1 941 . 1 . 1 293 293 HIS H H 1 8.411 0.001 . 1 . . . . . 496 HIS H . 51913 1 942 . 1 . 1 293 293 HIS CA C 13 57.3 0.1 . 1 . . . . . 496 HIS CA . 51913 1 943 . 1 . 1 293 293 HIS CB C 13 29.4 0.1 . 1 . . . . . 496 HIS CB . 51913 1 944 . 1 . 1 293 293 HIS N N 15 117.6 0.1 . 1 . . . . . 496 HIS N . 51913 1 945 . 1 . 1 294 294 ASN H H 1 8.044 0.001 . 1 . . . . . 497 ASN H . 51913 1 946 . 1 . 1 294 294 ASN CA C 13 52.7 0.1 . 1 . . . . . 497 ASN CA . 51913 1 947 . 1 . 1 294 294 ASN CB C 13 39.4 0.1 . 1 . . . . . 497 ASN CB . 51913 1 948 . 1 . 1 294 294 ASN N N 15 114.2 0.1 . 1 . . . . . 497 ASN N . 51913 1 949 . 1 . 1 295 295 TYR H H 1 7.754 0.001 . 1 . . . . . 498 TYR H . 51913 1 950 . 1 . 1 295 295 TYR CA C 13 56.0 0.1 . 1 . . . . . 498 TYR CA . 51913 1 951 . 1 . 1 295 295 TYR CB C 13 35.3 0.1 . 1 . . . . . 498 TYR CB . 51913 1 952 . 1 . 1 295 295 TYR N N 15 121.6 0.1 . 1 . . . . . 498 TYR N . 51913 1 953 . 1 . 1 296 296 GLY H H 1 8.532 0.001 . 1 . . . . . 499 GLY H . 51913 1 954 . 1 . 1 296 296 GLY CA C 13 44.0 0.1 . 1 . . . . . 499 GLY CA . 51913 1 955 . 1 . 1 296 296 GLY N N 15 106.9 0.1 . 1 . . . . . 499 GLY N . 51913 1 956 . 1 . 1 297 297 GLY H H 1 8.214 0.001 . 1 . . . . . 500 GLY H . 51913 1 957 . 1 . 1 297 297 GLY CA C 13 44.9 0.1 . 1 . . . . . 500 GLY CA . 51913 1 958 . 1 . 1 297 297 GLY N N 15 106.8 0.1 . 1 . . . . . 500 GLY N . 51913 1 959 . 1 . 1 298 298 HIS H H 1 8.252 0.001 . 1 . . . . . 501 HIS H . 51913 1 960 . 1 . 1 298 298 HIS CA C 13 55.9 0.1 . 1 . . . . . 501 HIS CA . 51913 1 961 . 1 . 1 298 298 HIS N N 15 119.2 0.1 . 1 . . . . . 501 HIS N . 51913 1 962 . 1 . 1 299 299 ASP H H 1 8.276 0.001 . 1 . . . . . 502 ASP H . 51913 1 963 . 1 . 1 299 299 ASP CA C 13 54.2 0.1 . 1 . . . . . 502 ASP CA . 51913 1 964 . 1 . 1 299 299 ASP N N 15 122.2 0.1 . 1 . . . . . 502 ASP N . 51913 1 965 . 1 . 1 300 300 ASP H H 1 8.367 0.001 . 1 . . . . . 503 ASP H . 51913 1 966 . 1 . 1 300 300 ASP CA C 13 54.3 0.1 . 1 . . . . . 503 ASP CA . 51913 1 967 . 1 . 1 300 300 ASP CB C 13 40.7 0.1 . 1 . . . . . 503 ASP CB . 51913 1 968 . 1 . 1 300 300 ASP N N 15 120.3 0.1 . 1 . . . . . 503 ASP N . 51913 1 969 . 1 . 1 301 301 ASP H H 1 8.243 0.001 . 1 . . . . . 504 ASP H . 51913 1 970 . 1 . 1 301 301 ASP CA C 13 54.3 0.1 . 1 . . . . . 504 ASP CA . 51913 1 971 . 1 . 1 301 301 ASP CB C 13 40.5 0.1 . 1 . . . . . 504 ASP CB . 51913 1 972 . 1 . 1 301 301 ASP N N 15 120.3 0.1 . 1 . . . . . 504 ASP N . 51913 1 973 . 1 . 1 302 302 LEU H H 1 8.213 0.001 . 1 . . . . . 505 LEU H . 51913 1 974 . 1 . 1 302 302 LEU CA C 13 55.2 0.1 . 1 . . . . . 505 LEU CA . 51913 1 975 . 1 . 1 302 302 LEU CB C 13 40.6 0.1 . 1 . . . . . 505 LEU CB . 51913 1 976 . 1 . 1 302 302 LEU N N 15 121.8 0.1 . 1 . . . . . 505 LEU N . 51913 1 977 . 1 . 1 303 303 SER H H 1 8.323 0.001 . 1 . . . . . 506 SER H . 51913 1 978 . 1 . 1 303 303 SER CA C 13 58.3 0.1 . 1 . . . . . 506 SER CA . 51913 1 979 . 1 . 1 303 303 SER CB C 13 63.3 0.1 . 1 . . . . . 506 SER CB . 51913 1 980 . 1 . 1 303 303 SER N N 15 116.0 0.1 . 1 . . . . . 506 SER N . 51913 1 981 . 1 . 1 307 307 CYS CA C 13 57.1 0.1 . 1 . . . . . 510 CYS CA . 51913 1 982 . 1 . 1 308 308 THR H H 1 7.860 0.001 . 1 . . . . . 511 THR H . 51913 1 983 . 1 . 1 308 308 THR CA C 13 61.5 0.1 . 1 . . . . . 511 THR CA . 51913 1 984 . 1 . 1 308 308 THR CB C 13 69.3 0.1 . 1 . . . . . 511 THR CB . 51913 1 985 . 1 . 1 308 308 THR N N 15 120.3 0.1 . 1 . . . . . 511 THR N . 51913 1 986 . 1 . 1 309 309 ASN H H 1 8.429 0.001 . 1 . . . . . 512 ASN H . 51913 1 987 . 1 . 1 309 309 ASN CA C 13 51.0 0.1 . 1 . . . . . 512 ASN CA . 51913 1 988 . 1 . 1 309 309 ASN CB C 13 41.0 0.1 . 1 . . . . . 512 ASN CB . 51913 1 989 . 1 . 1 309 309 ASN N N 15 116.7 0.1 . 1 . . . . . 512 ASN N . 51913 1 990 . 1 . 1 310 310 ALA H H 1 7.939 0.001 . 1 . . . . . 513 ALA H . 51913 1 991 . 1 . 1 310 310 ALA CA C 13 51.7 0.1 . 1 . . . . . 513 ALA CA . 51913 1 992 . 1 . 1 310 310 ALA CB C 13 20.0 0.1 . 1 . . . . . 513 ALA CB . 51913 1 993 . 1 . 1 310 310 ALA N N 15 121.9 0.1 . 1 . . . . . 513 ALA N . 51913 1 994 . 1 . 1 311 311 TYR H H 1 8.772 0.001 . 1 . . . . . 514 TYR H . 51913 1 995 . 1 . 1 311 311 TYR CA C 13 56.5 0.1 . 1 . . . . . 514 TYR CA . 51913 1 996 . 1 . 1 311 311 TYR N N 15 113.3 0.1 . 1 . . . . . 514 TYR N . 51913 1 997 . 1 . 1 312 312 MET H H 1 7.158 0.001 . 1 . . . . . 515 MET H . 51913 1 998 . 1 . 1 312 312 MET CA C 13 54.5 0.1 . 1 . . . . . 515 MET CA . 51913 1 999 . 1 . 1 312 312 MET N N 15 122.9 0.1 . 1 . . . . . 515 MET N . 51913 1 1000 . 1 . 1 313 313 LEU H H 1 8.993 0.001 . 1 . . . . . 516 LEU H . 51913 1 1001 . 1 . 1 313 313 LEU CA C 13 52.0 0.1 . 1 . . . . . 516 LEU CA . 51913 1 1002 . 1 . 1 313 313 LEU N N 15 126.0 0.1 . 1 . . . . . 516 LEU N . 51913 1 1003 . 1 . 1 314 314 VAL H H 1 8.500 0.001 . 1 . . . . . 517 VAL H . 51913 1 1004 . 1 . 1 314 314 VAL CA C 13 60.7 0.1 . 1 . . . . . 517 VAL CA . 51913 1 1005 . 1 . 1 314 314 VAL N N 15 119.8 0.1 . 1 . . . . . 517 VAL N . 51913 1 1006 . 1 . 1 315 315 TYR H H 1 9.221 0.001 . 1 . . . . . 518 TYR H . 51913 1 1007 . 1 . 1 315 315 TYR CA C 13 55.9 0.1 . 1 . . . . . 518 TYR CA . 51913 1 1008 . 1 . 1 315 315 TYR CB C 13 43.2 0.1 . 1 . . . . . 518 TYR CB . 51913 1 1009 . 1 . 1 315 315 TYR N N 15 127.4 0.1 . 1 . . . . . 518 TYR N . 51913 1 1010 . 1 . 1 316 316 ILE H H 1 9.595 0.001 . 1 . . . . . 519 ILE H . 51913 1 1011 . 1 . 1 316 316 ILE CA C 13 58.6 0.1 . 1 . . . . . 519 ILE CA . 51913 1 1012 . 1 . 1 316 316 ILE CB C 13 40.1 0.1 . 1 . . . . . 519 ILE CB . 51913 1 1013 . 1 . 1 316 316 ILE N N 15 120.2 0.1 . 1 . . . . . 519 ILE N . 51913 1 1014 . 1 . 1 317 317 ARG H H 1 9.262 0.001 . 1 . . . . . 520 ARG H . 51913 1 1015 . 1 . 1 317 317 ARG CA C 13 56.5 0.1 . 1 . . . . . 520 ARG CA . 51913 1 1016 . 1 . 1 317 317 ARG CB C 13 30.3 0.1 . 1 . . . . . 520 ARG CB . 51913 1 1017 . 1 . 1 317 317 ARG N N 15 132.5 0.1 . 1 . . . . . 520 ARG N . 51913 1 1018 . 1 . 1 318 318 GLU H H 1 9.231 0.001 . 1 . . . . . 521 GLU H . 51913 1 1019 . 1 . 1 318 318 GLU CA C 13 60.6 0.1 . 1 . . . . . 521 GLU CA . 51913 1 1020 . 1 . 1 318 318 GLU CB C 13 28.9 0.1 . 1 . . . . . 521 GLU CB . 51913 1 1021 . 1 . 1 318 318 GLU N N 15 130.6 0.1 . 1 . . . . . 521 GLU N . 51913 1 1022 . 1 . 1 319 319 SER H H 1 8.435 0.001 . 1 . . . . . 522 SER H . 51913 1 1023 . 1 . 1 319 319 SER CA C 13 59.3 0.1 . 1 . . . . . 522 SER CA . 51913 1 1024 . 1 . 1 319 319 SER CB C 13 61.7 0.1 . 1 . . . . . 522 SER CB . 51913 1 1025 . 1 . 1 319 319 SER N N 15 112.6 0.1 . 1 . . . . . 522 SER N . 51913 1 1026 . 1 . 1 320 320 LYS H H 1 7.508 0.001 . 1 . . . . . 523 LYS H . 51913 1 1027 . 1 . 1 320 320 LYS CA C 13 53.2 0.1 . 1 . . . . . 523 LYS CA . 51913 1 1028 . 1 . 1 320 320 LYS CB C 13 31.7 0.1 . 1 . . . . . 523 LYS CB . 51913 1 1029 . 1 . 1 320 320 LYS N N 15 119.0 0.1 . 1 . . . . . 523 LYS N . 51913 1 1030 . 1 . 1 321 321 LEU H H 1 7.408 0.001 . 1 . . . . . 524 LEU H . 51913 1 1031 . 1 . 1 321 321 LEU CA C 13 59.6 0.1 . 1 . . . . . 524 LEU CA . 51913 1 1032 . 1 . 1 321 321 LEU CB C 13 42.4 0.1 . 1 . . . . . 524 LEU CB . 51913 1 1033 . 1 . 1 321 321 LEU N N 15 125.2 0.1 . 1 . . . . . 524 LEU N . 51913 1 1034 . 1 . 1 322 322 SER H H 1 8.538 0.001 . 1 . . . . . 525 SER H . 51913 1 1035 . 1 . 1 322 322 SER CA C 13 60.4 0.1 . 1 . . . . . 525 SER CA . 51913 1 1036 . 1 . 1 322 322 SER CB C 13 61.7 0.1 . 1 . . . . . 525 SER CB . 51913 1 1037 . 1 . 1 322 322 SER N N 15 111.2 0.1 . 1 . . . . . 525 SER N . 51913 1 1038 . 1 . 1 323 323 GLU H H 1 7.381 0.001 . 1 . . . . . 526 GLU H . 51913 1 1039 . 1 . 1 323 323 GLU CA C 13 57.7 0.1 . 1 . . . . . 526 GLU CA . 51913 1 1040 . 1 . 1 323 323 GLU CB C 13 29.8 0.1 . 1 . . . . . 526 GLU CB . 51913 1 1041 . 1 . 1 323 323 GLU N N 15 121.6 0.1 . 1 . . . . . 526 GLU N . 51913 1 1042 . 1 . 1 324 324 VAL H H 1 8.653 0.001 . 1 . . . . . 527 VAL H . 51913 1 1043 . 1 . 1 324 324 VAL CA C 13 65.8 0.1 . 1 . . . . . 527 VAL CA . 51913 1 1044 . 1 . 1 324 324 VAL CB C 13 31.2 0.1 . 1 . . . . . 527 VAL CB . 51913 1 1045 . 1 . 1 324 324 VAL N N 15 121.3 0.1 . 1 . . . . . 527 VAL N . 51913 1 1046 . 1 . 1 325 325 LEU H H 1 7.966 0.001 . 1 . . . . . 528 LEU H . 51913 1 1047 . 1 . 1 325 325 LEU CA C 13 52.6 0.1 . 1 . . . . . 528 LEU CA . 51913 1 1048 . 1 . 1 325 325 LEU CB C 13 37.7 0.1 . 1 . . . . . 528 LEU CB . 51913 1 1049 . 1 . 1 325 325 LEU N N 15 113.8 0.1 . 1 . . . . . 528 LEU N . 51913 1 1050 . 1 . 1 326 326 GLN H H 1 6.586 0.001 . 1 . . . . . 529 GLN H . 51913 1 1051 . 1 . 1 326 326 GLN CA C 13 55.4 0.1 . 1 . . . . . 529 GLN CA . 51913 1 1052 . 1 . 1 326 326 GLN CB C 13 29.5 0.1 . 1 . . . . . 529 GLN CB . 51913 1 1053 . 1 . 1 326 326 GLN N N 15 119.6 0.1 . 1 . . . . . 529 GLN N . 51913 1 1054 . 1 . 1 327 327 ALA H H 1 8.433 0.001 . 1 . . . . . 530 ALA H . 51913 1 1055 . 1 . 1 327 327 ALA CA C 13 52.7 0.1 . 1 . . . . . 530 ALA CA . 51913 1 1056 . 1 . 1 327 327 ALA CB C 13 17.9 0.1 . 1 . . . . . 530 ALA CB . 51913 1 1057 . 1 . 1 327 327 ALA N N 15 125.2 0.1 . 1 . . . . . 530 ALA N . 51913 1 1058 . 1 . 1 328 328 VAL H H 1 8.377 0.001 . 1 . . . . . 531 VAL H . 51913 1 1059 . 1 . 1 328 328 VAL CA C 13 60.7 0.1 . 1 . . . . . 531 VAL CA . 51913 1 1060 . 1 . 1 328 328 VAL CB C 13 32.1 0.1 . 1 . . . . . 531 VAL CB . 51913 1 1061 . 1 . 1 328 328 VAL N N 15 122.5 0.1 . 1 . . . . . 531 VAL N . 51913 1 1062 . 1 . 1 329 329 THR H H 1 9.478 0.001 . 1 . . . . . 532 THR H . 51913 1 1063 . 1 . 1 329 329 THR CA C 13 59.7 0.1 . 1 . . . . . 532 THR CA . 51913 1 1064 . 1 . 1 329 329 THR CB C 13 71.6 0.1 . 1 . . . . . 532 THR CB . 51913 1 1065 . 1 . 1 329 329 THR N N 15 120.0 0.1 . 1 . . . . . 532 THR N . 51913 1 1066 . 1 . 1 330 330 ASP H H 1 8.778 0.001 . 1 . . . . . 533 ASP H . 51913 1 1067 . 1 . 1 330 330 ASP N N 15 119.9 0.1 . 1 . . . . . 533 ASP N . 51913 1 1068 . 1 . 1 331 331 HIS CA C 13 57.1 0.1 . 1 . . . . . 534 HIS CA . 51913 1 1069 . 1 . 1 331 331 HIS CB C 13 29.1 0.1 . 1 . . . . . 534 HIS CB . 51913 1 1070 . 1 . 1 332 332 ASP H H 1 7.491 0.001 . 1 . . . . . 535 ASP H . 51913 1 1071 . 1 . 1 332 332 ASP CA C 13 55.1 0.1 . 1 . . . . . 535 ASP CA . 51913 1 1072 . 1 . 1 332 332 ASP CB C 13 41.5 0.1 . 1 . . . . . 535 ASP CB . 51913 1 1073 . 1 . 1 332 332 ASP N N 15 117.1 0.1 . 1 . . . . . 535 ASP N . 51913 1 1074 . 1 . 1 333 333 ILE H H 1 7.038 0.001 . 1 . . . . . 536 ILE H . 51913 1 1075 . 1 . 1 333 333 ILE CA C 13 58.5 0.1 . 1 . . . . . 536 ILE CA . 51913 1 1076 . 1 . 1 333 333 ILE CB C 13 36.9 0.1 . 1 . . . . . 536 ILE CB . 51913 1 1077 . 1 . 1 333 333 ILE N N 15 119.9 0.1 . 1 . . . . . 536 ILE N . 51913 1 1078 . 1 . 1 334 334 PRO CA C 13 63.0 0.1 . 1 . . . . . 537 PRO CA . 51913 1 1079 . 1 . 1 335 335 GLN H H 1 8.900 0.001 . 1 . . . . . 538 GLN H . 51913 1 1080 . 1 . 1 335 335 GLN CA C 13 58.4 0.1 . 1 . . . . . 538 GLN CA . 51913 1 1081 . 1 . 1 335 335 GLN N N 15 126.2 0.1 . 1 . . . . . 538 GLN N . 51913 1 1082 . 1 . 1 336 336 GLN H H 1 9.027 0.001 . 1 . . . . . 539 GLN H . 51913 1 1083 . 1 . 1 336 336 GLN CA C 13 58.5 0.1 . 1 . . . . . 539 GLN CA . 51913 1 1084 . 1 . 1 336 336 GLN CB C 13 26.3 0.1 . 1 . . . . . 539 GLN CB . 51913 1 1085 . 1 . 1 336 336 GLN N N 15 116.4 0.1 . 1 . . . . . 539 GLN N . 51913 1 1086 . 1 . 1 337 337 LEU H H 1 7.053 0.001 . 1 . . . . . 540 LEU H . 51913 1 1087 . 1 . 1 337 337 LEU CA C 13 56.8 0.1 . 1 . . . . . 540 LEU CA . 51913 1 1088 . 1 . 1 337 337 LEU CB C 13 40.2 0.1 . 1 . . . . . 540 LEU CB . 51913 1 1089 . 1 . 1 337 337 LEU N N 15 121.6 0.1 . 1 . . . . . 540 LEU N . 51913 1 1090 . 1 . 1 338 338 VAL H H 1 7.150 0.001 . 1 . . . . . 541 VAL H . 51913 1 1091 . 1 . 1 338 338 VAL CA C 13 66.7 0.1 . 1 . . . . . 541 VAL CA . 51913 1 1092 . 1 . 1 338 338 VAL CB C 13 30.5 0.1 . 1 . . . . . 541 VAL CB . 51913 1 1093 . 1 . 1 338 338 VAL N N 15 119.1 0.1 . 1 . . . . . 541 VAL N . 51913 1 1094 . 1 . 1 339 339 GLU H H 1 8.250 0.001 . 1 . . . . . 542 GLU H . 51913 1 1095 . 1 . 1 339 339 GLU CA C 13 58.8 0.1 . 1 . . . . . 542 GLU CA . 51913 1 1096 . 1 . 1 339 339 GLU CB C 13 28.5 0.1 . 1 . . . . . 542 GLU CB . 51913 1 1097 . 1 . 1 339 339 GLU N N 15 116.6 0.1 . 1 . . . . . 542 GLU N . 51913 1 1098 . 1 . 1 340 340 ARG H H 1 7.508 0.001 . 1 . . . . . 543 ARG H . 51913 1 1099 . 1 . 1 340 340 ARG CA C 13 58.9 0.1 . 1 . . . . . 543 ARG CA . 51913 1 1100 . 1 . 1 340 340 ARG CB C 13 29.1 0.1 . 1 . . . . . 543 ARG CB . 51913 1 1101 . 1 . 1 340 340 ARG N N 15 120.6 0.1 . 1 . . . . . 543 ARG N . 51913 1 1102 . 1 . 1 341 341 LEU H H 1 8.236 0.001 . 1 . . . . . 544 LEU H . 51913 1 1103 . 1 . 1 341 341 LEU CA C 13 56.9 0.1 . 1 . . . . . 544 LEU CA . 51913 1 1104 . 1 . 1 341 341 LEU CB C 13 38.8 0.1 . 1 . . . . . 544 LEU CB . 51913 1 1105 . 1 . 1 341 341 LEU N N 15 119.1 0.1 . 1 . . . . . 544 LEU N . 51913 1 1106 . 1 . 1 342 342 GLN H H 1 8.477 0.001 . 1 . . . . . 545 GLN H . 51913 1 1107 . 1 . 1 342 342 GLN CA C 13 58.3 0.1 . 1 . . . . . 545 GLN CA . 51913 1 1108 . 1 . 1 342 342 GLN CB C 13 27.1 0.1 . 1 . . . . . 545 GLN CB . 51913 1 1109 . 1 . 1 342 342 GLN N N 15 119.5 0.1 . 1 . . . . . 545 GLN N . 51913 1 1110 . 1 . 1 343 343 GLU H H 1 7.994 0.001 . 1 . . . . . 546 GLU H . 51913 1 1111 . 1 . 1 343 343 GLU CA C 13 58.3 0.1 . 1 . . . . . 546 GLU CA . 51913 1 1112 . 1 . 1 343 343 GLU CB C 13 28.2 0.1 . 1 . . . . . 546 GLU CB . 51913 1 1113 . 1 . 1 343 343 GLU N N 15 122.3 0.1 . 1 . . . . . 546 GLU N . 51913 1 1114 . 1 . 1 344 344 GLU H H 1 7.754 0.001 . 1 . . . . . 547 GLU H . 51913 1 1115 . 1 . 1 344 344 GLU CA C 13 58.7 0.1 . 1 . . . . . 547 GLU CA . 51913 1 1116 . 1 . 1 344 344 GLU CB C 13 29.1 0.1 . 1 . . . . . 547 GLU CB . 51913 1 1117 . 1 . 1 344 344 GLU N N 15 118.3 0.1 . 1 . . . . . 547 GLU N . 51913 1 1118 . 1 . 1 345 345 LYS H H 1 7.357 0.001 . 1 . . . . . 548 LYS H . 51913 1 1119 . 1 . 1 345 345 LYS CA C 13 57.7 0.1 . 1 . . . . . 548 LYS CA . 51913 1 1120 . 1 . 1 345 345 LYS CB C 13 31.1 0.1 . 1 . . . . . 548 LYS CB . 51913 1 1121 . 1 . 1 345 345 LYS N N 15 117.2 0.1 . 1 . . . . . 548 LYS N . 51913 1 1122 . 1 . 1 346 346 ARG H H 1 7.750 0.001 . 1 . . . . . 549 ARG H . 51913 1 1123 . 1 . 1 346 346 ARG CA C 13 58.3 0.1 . 1 . . . . . 549 ARG CA . 51913 1 1124 . 1 . 1 346 346 ARG CB C 13 29.4 0.1 . 1 . . . . . 549 ARG CB . 51913 1 1125 . 1 . 1 346 346 ARG N N 15 120.5 0.1 . 1 . . . . . 549 ARG N . 51913 1 1126 . 1 . 1 347 347 ILE H H 1 7.891 0.001 . 1 . . . . . 550 ILE H . 51913 1 1127 . 1 . 1 347 347 ILE CA C 13 62.3 0.1 . 1 . . . . . 550 ILE CA . 51913 1 1128 . 1 . 1 347 347 ILE CB C 13 37.2 0.1 . 1 . . . . . 550 ILE CB . 51913 1 1129 . 1 . 1 347 347 ILE N N 15 118.4 0.1 . 1 . . . . . 550 ILE N . 51913 1 1130 . 1 . 1 348 348 GLU H H 1 7.857 0.001 . 1 . . . . . 551 GLU H . 51913 1 1131 . 1 . 1 348 348 GLU CA C 13 56.8 0.1 . 1 . . . . . 551 GLU CA . 51913 1 1132 . 1 . 1 348 348 GLU CB C 13 29.1 0.1 . 1 . . . . . 551 GLU CB . 51913 1 1133 . 1 . 1 348 348 GLU N N 15 121.2 0.1 . 1 . . . . . 551 GLU N . 51913 1 1134 . 1 . 1 349 349 ALA H H 1 7.728 0.001 . 1 . . . . . 552 ALA H . 51913 1 1135 . 1 . 1 349 349 ALA CA C 13 52.1 0.1 . 1 . . . . . 552 ALA CA . 51913 1 1136 . 1 . 1 349 349 ALA CB C 13 18.2 0.1 . 1 . . . . . 552 ALA CB . 51913 1 1137 . 1 . 1 349 349 ALA N N 15 123.6 0.1 . 1 . . . . . 552 ALA N . 51913 1 1138 . 1 . 1 350 350 GLN H H 1 7.685 0.001 . 1 . . . . . 553 GLN H . 51913 1 1139 . 1 . 1 350 350 GLN CA C 13 57.1 0.1 . 1 . . . . . 553 GLN CA . 51913 1 1140 . 1 . 1 350 350 GLN CB C 13 29.4 0.1 . 1 . . . . . 553 GLN CB . 51913 1 1141 . 1 . 1 350 350 GLN N N 15 124.6 0.1 . 1 . . . . . 553 GLN N . 51913 1 stop_ save_