data_25113 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25113 _Entry.Title ; Domain Orientation and Dynamics of the 38.8 kDa Staphylococcus aureus Hemoglobin Receptor, IsdH ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-07-29 _Entry.Accession_date 2014-07-29 _Entry.Last_release_date 2014-07-29 _Entry.Original_release_date 2014-07-29 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Modeling domain orientation and dynamics of a 38.8 kDa protein' _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 Megan Sjodt . . . . 25113 2 Ramsay Macdonald . . . . 25113 3 Thomas Spirig . . . . 25113 4 Robert Clubb . T. . . 25113 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID RDCs 1 25113 assigned_chemical_shifts 1 25113 heteronucl_NOEs 1 25113 heteronucl_T1_relaxation 1 25113 heteronucl_T2_relaxation 1 25113 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 1006 25113 '15N chemical shifts' 292 25113 '1H chemical shifts' 929 25113 'T1 relaxation values' 155 25113 'T2 relaxation values' 142 25113 'heteronuclear NOE values' 238 25113 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 . . 2022-05-12 . original BMRB . 25113 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17820 . 25113 BMRB 17862 . 25113 EMBL CAI81279 . 25113 EMBL CAQ50207 . 25113 EMBL CBI49597 . 25113 EMBL CBX34951 . 25113 NCBI CAG43459 . 25113 PDB 2LHR . 25113 PDB 4IJ2 . 25113 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25113 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 25687963 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR Model of the 38.8 kDa Tri-Domain IsdH Protein from Staphylococcus aureus Suggests that it Adaptively Recognizes Human Hemoglobin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 428 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _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 1107 _Citation.Page_last 1129 _Citation.Year 2016 _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 Megan Sjodt . . . . 25113 1 2 Ramsay Macdonald . . . . 25113 1 3 Thomas Spirig . . . . 25113 1 4 Albert Chan . H. . . 25113 1 5 Claire Dickson . F. . . 25113 1 6 Marian Fabian . . . . 25113 1 7 John Olson . S. . . 25113 1 8 David Gell . A. . . 25113 1 9 Robert Clubb . T. . . 25113 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Heme Acquisition' 25113 1 'Hemoglobin Receptor' 25113 1 'Iron Regulated Surface Determinant System' 25113 1 'Large Protein NMR' 25113 1 'Paramagnetic Relaxation Enhancement' 25113 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25113 _Assembly.ID 1 _Assembly.Name 'Hb Receptor' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 38788.4 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'subunits 2-3' 1 $IsdH_N2N3 A . yes native no no . . . 25113 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IsdH_N2N3 _Entity.Sf_category entity _Entity.Sf_framecode IsdH_N2N3 _Entity.Entry_ID 25113 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name IsdH_N2N3 _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 ; SADESLQDAIKNPAIIDKEH TADNWRPIDFQMKNDKGERQ FYHYASTVEPATVIFTKTGP IIELGLKTASTWKKFEVYEG DKKLPVELVSYDSDKDYAYI RFPVSNGTREVKIVSSIEYG ENIHEDYDYTLMVFAQPITN NPDDYVDEETYNLQKLLAPY HKAKTLERQVYELEKLQEKL PEKYKAEYKKKLDQTRVELA DQVKSAVTEFENVTPTNDQL TDLQEAHFVVFESEENSESV MDGFVEHPFYTATLNGQKYV VMKTKDDSYWKDLIVEGKRV TTVSKDPKNNSRTLIFPYIP DKAVYNAIVKVVVANIGAEG QYHVRIINQDINTKDD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residue 1 represents a non-native residue left after cleaving of the affinity tag' _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 336 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation Y642A _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 38788.4 _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 . yes GB AAW38309.1 . 'cell wall surface anchor family protein' . . . . . . . . . . . . . . 25113 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'hemoglobin receptor; heme acquisition; heme transfer' 25113 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 1 325 SER . 25113 1 2 326 ALA . 25113 1 3 327 ASP . 25113 1 4 328 GLU . 25113 1 5 329 SER . 25113 1 6 330 LEU . 25113 1 7 331 GLN . 25113 1 8 332 ASP . 25113 1 9 333 ALA . 25113 1 10 334 ILE . 25113 1 11 335 LYS . 25113 1 12 336 ASN . 25113 1 13 337 PRO . 25113 1 14 338 ALA . 25113 1 15 339 ILE . 25113 1 16 340 ILE . 25113 1 17 341 ASP . 25113 1 18 342 LYS . 25113 1 19 343 GLU . 25113 1 20 344 HIS . 25113 1 21 345 THR . 25113 1 22 346 ALA . 25113 1 23 347 ASP . 25113 1 24 348 ASN . 25113 1 25 349 TRP . 25113 1 26 350 ARG . 25113 1 27 351 PRO . 25113 1 28 352 ILE . 25113 1 29 353 ASP . 25113 1 30 354 PHE . 25113 1 31 355 GLN . 25113 1 32 356 MET . 25113 1 33 357 LYS . 25113 1 34 358 ASN . 25113 1 35 359 ASP . 25113 1 36 360 LYS . 25113 1 37 361 GLY . 25113 1 38 362 GLU . 25113 1 39 363 ARG . 25113 1 40 364 GLN . 25113 1 41 365 PHE . 25113 1 42 366 TYR . 25113 1 43 367 HIS . 25113 1 44 368 TYR . 25113 1 45 369 ALA . 25113 1 46 370 SER . 25113 1 47 371 THR . 25113 1 48 372 VAL . 25113 1 49 373 GLU . 25113 1 50 374 PRO . 25113 1 51 375 ALA . 25113 1 52 376 THR . 25113 1 53 377 VAL . 25113 1 54 378 ILE . 25113 1 55 379 PHE . 25113 1 56 380 THR . 25113 1 57 381 LYS . 25113 1 58 382 THR . 25113 1 59 383 GLY . 25113 1 60 384 PRO . 25113 1 61 385 ILE . 25113 1 62 386 ILE . 25113 1 63 387 GLU . 25113 1 64 388 LEU . 25113 1 65 389 GLY . 25113 1 66 390 LEU . 25113 1 67 391 LYS . 25113 1 68 392 THR . 25113 1 69 393 ALA . 25113 1 70 394 SER . 25113 1 71 395 THR . 25113 1 72 396 TRP . 25113 1 73 397 LYS . 25113 1 74 398 LYS . 25113 1 75 399 PHE . 25113 1 76 400 GLU . 25113 1 77 401 VAL . 25113 1 78 402 TYR . 25113 1 79 403 GLU . 25113 1 80 404 GLY . 25113 1 81 405 ASP . 25113 1 82 406 LYS . 25113 1 83 407 LYS . 25113 1 84 408 LEU . 25113 1 85 409 PRO . 25113 1 86 410 VAL . 25113 1 87 411 GLU . 25113 1 88 412 LEU . 25113 1 89 413 VAL . 25113 1 90 414 SER . 25113 1 91 415 TYR . 25113 1 92 416 ASP . 25113 1 93 417 SER . 25113 1 94 418 ASP . 25113 1 95 419 LYS . 25113 1 96 420 ASP . 25113 1 97 421 TYR . 25113 1 98 422 ALA . 25113 1 99 423 TYR . 25113 1 100 424 ILE . 25113 1 101 425 ARG . 25113 1 102 426 PHE . 25113 1 103 427 PRO . 25113 1 104 428 VAL . 25113 1 105 429 SER . 25113 1 106 430 ASN . 25113 1 107 431 GLY . 25113 1 108 432 THR . 25113 1 109 433 ARG . 25113 1 110 434 GLU . 25113 1 111 435 VAL . 25113 1 112 436 LYS . 25113 1 113 437 ILE . 25113 1 114 438 VAL . 25113 1 115 439 SER . 25113 1 116 440 SER . 25113 1 117 441 ILE . 25113 1 118 442 GLU . 25113 1 119 443 TYR . 25113 1 120 444 GLY . 25113 1 121 445 GLU . 25113 1 122 446 ASN . 25113 1 123 447 ILE . 25113 1 124 448 HIS . 25113 1 125 449 GLU . 25113 1 126 450 ASP . 25113 1 127 451 TYR . 25113 1 128 452 ASP . 25113 1 129 453 TYR . 25113 1 130 454 THR . 25113 1 131 455 LEU . 25113 1 132 456 MET . 25113 1 133 457 VAL . 25113 1 134 458 PHE . 25113 1 135 459 ALA . 25113 1 136 460 GLN . 25113 1 137 461 PRO . 25113 1 138 462 ILE . 25113 1 139 463 THR . 25113 1 140 464 ASN . 25113 1 141 465 ASN . 25113 1 142 466 PRO . 25113 1 143 467 ASP . 25113 1 144 468 ASP . 25113 1 145 469 TYR . 25113 1 146 470 VAL . 25113 1 147 471 ASP . 25113 1 148 472 GLU . 25113 1 149 473 GLU . 25113 1 150 474 THR . 25113 1 151 475 TYR . 25113 1 152 476 ASN . 25113 1 153 477 LEU . 25113 1 154 478 GLN . 25113 1 155 479 LYS . 25113 1 156 480 LEU . 25113 1 157 481 LEU . 25113 1 158 482 ALA . 25113 1 159 483 PRO . 25113 1 160 484 TYR . 25113 1 161 485 HIS . 25113 1 162 486 LYS . 25113 1 163 487 ALA . 25113 1 164 488 LYS . 25113 1 165 489 THR . 25113 1 166 490 LEU . 25113 1 167 491 GLU . 25113 1 168 492 ARG . 25113 1 169 493 GLN . 25113 1 170 494 VAL . 25113 1 171 495 TYR . 25113 1 172 496 GLU . 25113 1 173 497 LEU . 25113 1 174 498 GLU . 25113 1 175 499 LYS . 25113 1 176 500 LEU . 25113 1 177 501 GLN . 25113 1 178 502 GLU . 25113 1 179 503 LYS . 25113 1 180 504 LEU . 25113 1 181 505 PRO . 25113 1 182 506 GLU . 25113 1 183 507 LYS . 25113 1 184 508 TYR . 25113 1 185 509 LYS . 25113 1 186 510 ALA . 25113 1 187 511 GLU . 25113 1 188 512 TYR . 25113 1 189 513 LYS . 25113 1 190 514 LYS . 25113 1 191 515 LYS . 25113 1 192 516 LEU . 25113 1 193 517 ASP . 25113 1 194 518 GLN . 25113 1 195 519 THR . 25113 1 196 520 ARG . 25113 1 197 521 VAL . 25113 1 198 522 GLU . 25113 1 199 523 LEU . 25113 1 200 524 ALA . 25113 1 201 525 ASP . 25113 1 202 526 GLN . 25113 1 203 527 VAL . 25113 1 204 528 LYS . 25113 1 205 529 SER . 25113 1 206 530 ALA . 25113 1 207 531 VAL . 25113 1 208 532 THR . 25113 1 209 533 GLU . 25113 1 210 534 PHE . 25113 1 211 535 GLU . 25113 1 212 536 ASN . 25113 1 213 537 VAL . 25113 1 214 538 THR . 25113 1 215 539 PRO . 25113 1 216 540 THR . 25113 1 217 541 ASN . 25113 1 218 542 ASP . 25113 1 219 543 GLN . 25113 1 220 544 LEU . 25113 1 221 545 THR . 25113 1 222 546 ASP . 25113 1 223 547 LEU . 25113 1 224 548 GLN . 25113 1 225 549 GLU . 25113 1 226 550 ALA . 25113 1 227 551 HIS . 25113 1 228 552 PHE . 25113 1 229 553 VAL . 25113 1 230 554 VAL . 25113 1 231 555 PHE . 25113 1 232 556 GLU . 25113 1 233 557 SER . 25113 1 234 558 GLU . 25113 1 235 559 GLU . 25113 1 236 560 ASN . 25113 1 237 561 SER . 25113 1 238 562 GLU . 25113 1 239 563 SER . 25113 1 240 564 VAL . 25113 1 241 565 MET . 25113 1 242 566 ASP . 25113 1 243 567 GLY . 25113 1 244 568 PHE . 25113 1 245 569 VAL . 25113 1 246 570 GLU . 25113 1 247 571 HIS . 25113 1 248 572 PRO . 25113 1 249 573 PHE . 25113 1 250 574 TYR . 25113 1 251 575 THR . 25113 1 252 576 ALA . 25113 1 253 577 THR . 25113 1 254 578 LEU . 25113 1 255 579 ASN . 25113 1 256 580 GLY . 25113 1 257 581 GLN . 25113 1 258 582 LYS . 25113 1 259 583 TYR . 25113 1 260 584 VAL . 25113 1 261 585 VAL . 25113 1 262 586 MET . 25113 1 263 587 LYS . 25113 1 264 588 THR . 25113 1 265 589 LYS . 25113 1 266 590 ASP . 25113 1 267 591 ASP . 25113 1 268 592 SER . 25113 1 269 593 TYR . 25113 1 270 594 TRP . 25113 1 271 595 LYS . 25113 1 272 596 ASP . 25113 1 273 597 LEU . 25113 1 274 598 ILE . 25113 1 275 599 VAL . 25113 1 276 600 GLU . 25113 1 277 601 GLY . 25113 1 278 602 LYS . 25113 1 279 603 ARG . 25113 1 280 604 VAL . 25113 1 281 605 THR . 25113 1 282 606 THR . 25113 1 283 607 VAL . 25113 1 284 608 SER . 25113 1 285 609 LYS . 25113 1 286 610 ASP . 25113 1 287 611 PRO . 25113 1 288 612 LYS . 25113 1 289 613 ASN . 25113 1 290 614 ASN . 25113 1 291 615 SER . 25113 1 292 616 ARG . 25113 1 293 617 THR . 25113 1 294 618 LEU . 25113 1 295 619 ILE . 25113 1 296 620 PHE . 25113 1 297 621 PRO . 25113 1 298 622 TYR . 25113 1 299 623 ILE . 25113 1 300 624 PRO . 25113 1 301 625 ASP . 25113 1 302 626 LYS . 25113 1 303 627 ALA . 25113 1 304 628 VAL . 25113 1 305 629 TYR . 25113 1 306 630 ASN . 25113 1 307 631 ALA . 25113 1 308 632 ILE . 25113 1 309 633 VAL . 25113 1 310 634 LYS . 25113 1 311 635 VAL . 25113 1 312 636 VAL . 25113 1 313 637 VAL . 25113 1 314 638 ALA . 25113 1 315 639 ASN . 25113 1 316 640 ILE . 25113 1 317 641 GLY . 25113 1 318 642 ALA . 25113 1 319 643 GLU . 25113 1 320 644 GLY . 25113 1 321 645 GLN . 25113 1 322 646 TYR . 25113 1 323 647 HIS . 25113 1 324 648 VAL . 25113 1 325 649 ARG . 25113 1 326 650 ILE . 25113 1 327 651 ILE . 25113 1 328 652 ASN . 25113 1 329 653 GLN . 25113 1 330 654 ASP . 25113 1 331 655 ILE . 25113 1 332 656 ASN . 25113 1 333 657 THR . 25113 1 334 658 LYS . 25113 1 335 659 ASP . 25113 1 336 660 ASP . 25113 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 . SER 1 1 25113 1 . ALA 2 2 25113 1 . ASP 3 3 25113 1 . GLU 4 4 25113 1 . SER 5 5 25113 1 . LEU 6 6 25113 1 . GLN 7 7 25113 1 . ASP 8 8 25113 1 . ALA 9 9 25113 1 . ILE 10 10 25113 1 . LYS 11 11 25113 1 . ASN 12 12 25113 1 . PRO 13 13 25113 1 . ALA 14 14 25113 1 . ILE 15 15 25113 1 . ILE 16 16 25113 1 . ASP 17 17 25113 1 . LYS 18 18 25113 1 . GLU 19 19 25113 1 . HIS 20 20 25113 1 . THR 21 21 25113 1 . ALA 22 22 25113 1 . ASP 23 23 25113 1 . ASN 24 24 25113 1 . TRP 25 25 25113 1 . ARG 26 26 25113 1 . PRO 27 27 25113 1 . ILE 28 28 25113 1 . ASP 29 29 25113 1 . PHE 30 30 25113 1 . GLN 31 31 25113 1 . MET 32 32 25113 1 . LYS 33 33 25113 1 . ASN 34 34 25113 1 . ASP 35 35 25113 1 . LYS 36 36 25113 1 . GLY 37 37 25113 1 . GLU 38 38 25113 1 . ARG 39 39 25113 1 . GLN 40 40 25113 1 . PHE 41 41 25113 1 . TYR 42 42 25113 1 . HIS 43 43 25113 1 . TYR 44 44 25113 1 . ALA 45 45 25113 1 . SER 46 46 25113 1 . THR 47 47 25113 1 . VAL 48 48 25113 1 . GLU 49 49 25113 1 . PRO 50 50 25113 1 . ALA 51 51 25113 1 . THR 52 52 25113 1 . VAL 53 53 25113 1 . ILE 54 54 25113 1 . PHE 55 55 25113 1 . THR 56 56 25113 1 . LYS 57 57 25113 1 . THR 58 58 25113 1 . GLY 59 59 25113 1 . PRO 60 60 25113 1 . ILE 61 61 25113 1 . ILE 62 62 25113 1 . GLU 63 63 25113 1 . LEU 64 64 25113 1 . GLY 65 65 25113 1 . LEU 66 66 25113 1 . LYS 67 67 25113 1 . THR 68 68 25113 1 . ALA 69 69 25113 1 . SER 70 70 25113 1 . THR 71 71 25113 1 . TRP 72 72 25113 1 . LYS 73 73 25113 1 . LYS 74 74 25113 1 . PHE 75 75 25113 1 . GLU 76 76 25113 1 . VAL 77 77 25113 1 . TYR 78 78 25113 1 . GLU 79 79 25113 1 . GLY 80 80 25113 1 . ASP 81 81 25113 1 . LYS 82 82 25113 1 . LYS 83 83 25113 1 . LEU 84 84 25113 1 . PRO 85 85 25113 1 . VAL 86 86 25113 1 . GLU 87 87 25113 1 . LEU 88 88 25113 1 . VAL 89 89 25113 1 . SER 90 90 25113 1 . TYR 91 91 25113 1 . ASP 92 92 25113 1 . SER 93 93 25113 1 . ASP 94 94 25113 1 . LYS 95 95 25113 1 . ASP 96 96 25113 1 . TYR 97 97 25113 1 . ALA 98 98 25113 1 . TYR 99 99 25113 1 . ILE 100 100 25113 1 . ARG 101 101 25113 1 . PHE 102 102 25113 1 . PRO 103 103 25113 1 . VAL 104 104 25113 1 . SER 105 105 25113 1 . ASN 106 106 25113 1 . GLY 107 107 25113 1 . THR 108 108 25113 1 . ARG 109 109 25113 1 . GLU 110 110 25113 1 . VAL 111 111 25113 1 . LYS 112 112 25113 1 . ILE 113 113 25113 1 . VAL 114 114 25113 1 . SER 115 115 25113 1 . SER 116 116 25113 1 . ILE 117 117 25113 1 . GLU 118 118 25113 1 . TYR 119 119 25113 1 . GLY 120 120 25113 1 . GLU 121 121 25113 1 . ASN 122 122 25113 1 . ILE 123 123 25113 1 . HIS 124 124 25113 1 . GLU 125 125 25113 1 . ASP 126 126 25113 1 . TYR 127 127 25113 1 . ASP 128 128 25113 1 . TYR 129 129 25113 1 . THR 130 130 25113 1 . LEU 131 131 25113 1 . MET 132 132 25113 1 . VAL 133 133 25113 1 . PHE 134 134 25113 1 . ALA 135 135 25113 1 . GLN 136 136 25113 1 . PRO 137 137 25113 1 . ILE 138 138 25113 1 . THR 139 139 25113 1 . ASN 140 140 25113 1 . ASN 141 141 25113 1 . PRO 142 142 25113 1 . ASP 143 143 25113 1 . ASP 144 144 25113 1 . TYR 145 145 25113 1 . VAL 146 146 25113 1 . ASP 147 147 25113 1 . GLU 148 148 25113 1 . GLU 149 149 25113 1 . THR 150 150 25113 1 . TYR 151 151 25113 1 . ASN 152 152 25113 1 . LEU 153 153 25113 1 . GLN 154 154 25113 1 . LYS 155 155 25113 1 . LEU 156 156 25113 1 . LEU 157 157 25113 1 . ALA 158 158 25113 1 . PRO 159 159 25113 1 . TYR 160 160 25113 1 . HIS 161 161 25113 1 . LYS 162 162 25113 1 . ALA 163 163 25113 1 . LYS 164 164 25113 1 . THR 165 165 25113 1 . LEU 166 166 25113 1 . GLU 167 167 25113 1 . ARG 168 168 25113 1 . GLN 169 169 25113 1 . VAL 170 170 25113 1 . TYR 171 171 25113 1 . GLU 172 172 25113 1 . LEU 173 173 25113 1 . GLU 174 174 25113 1 . LYS 175 175 25113 1 . LEU 176 176 25113 1 . GLN 177 177 25113 1 . GLU 178 178 25113 1 . LYS 179 179 25113 1 . LEU 180 180 25113 1 . PRO 181 181 25113 1 . GLU 182 182 25113 1 . LYS 183 183 25113 1 . TYR 184 184 25113 1 . LYS 185 185 25113 1 . ALA 186 186 25113 1 . GLU 187 187 25113 1 . TYR 188 188 25113 1 . LYS 189 189 25113 1 . LYS 190 190 25113 1 . LYS 191 191 25113 1 . LEU 192 192 25113 1 . ASP 193 193 25113 1 . GLN 194 194 25113 1 . THR 195 195 25113 1 . ARG 196 196 25113 1 . VAL 197 197 25113 1 . GLU 198 198 25113 1 . LEU 199 199 25113 1 . ALA 200 200 25113 1 . ASP 201 201 25113 1 . GLN 202 202 25113 1 . VAL 203 203 25113 1 . LYS 204 204 25113 1 . SER 205 205 25113 1 . ALA 206 206 25113 1 . VAL 207 207 25113 1 . THR 208 208 25113 1 . GLU 209 209 25113 1 . PHE 210 210 25113 1 . GLU 211 211 25113 1 . ASN 212 212 25113 1 . VAL 213 213 25113 1 . THR 214 214 25113 1 . PRO 215 215 25113 1 . THR 216 216 25113 1 . ASN 217 217 25113 1 . ASP 218 218 25113 1 . GLN 219 219 25113 1 . LEU 220 220 25113 1 . THR 221 221 25113 1 . ASP 222 222 25113 1 . LEU 223 223 25113 1 . GLN 224 224 25113 1 . GLU 225 225 25113 1 . ALA 226 226 25113 1 . HIS 227 227 25113 1 . PHE 228 228 25113 1 . VAL 229 229 25113 1 . VAL 230 230 25113 1 . PHE 231 231 25113 1 . GLU 232 232 25113 1 . SER 233 233 25113 1 . GLU 234 234 25113 1 . GLU 235 235 25113 1 . ASN 236 236 25113 1 . SER 237 237 25113 1 . GLU 238 238 25113 1 . SER 239 239 25113 1 . VAL 240 240 25113 1 . MET 241 241 25113 1 . ASP 242 242 25113 1 . GLY 243 243 25113 1 . PHE 244 244 25113 1 . VAL 245 245 25113 1 . GLU 246 246 25113 1 . HIS 247 247 25113 1 . PRO 248 248 25113 1 . PHE 249 249 25113 1 . TYR 250 250 25113 1 . THR 251 251 25113 1 . ALA 252 252 25113 1 . THR 253 253 25113 1 . LEU 254 254 25113 1 . ASN 255 255 25113 1 . GLY 256 256 25113 1 . GLN 257 257 25113 1 . LYS 258 258 25113 1 . TYR 259 259 25113 1 . VAL 260 260 25113 1 . VAL 261 261 25113 1 . MET 262 262 25113 1 . LYS 263 263 25113 1 . THR 264 264 25113 1 . LYS 265 265 25113 1 . ASP 266 266 25113 1 . ASP 267 267 25113 1 . SER 268 268 25113 1 . TYR 269 269 25113 1 . TRP 270 270 25113 1 . LYS 271 271 25113 1 . ASP 272 272 25113 1 . LEU 273 273 25113 1 . ILE 274 274 25113 1 . VAL 275 275 25113 1 . GLU 276 276 25113 1 . GLY 277 277 25113 1 . LYS 278 278 25113 1 . ARG 279 279 25113 1 . VAL 280 280 25113 1 . THR 281 281 25113 1 . THR 282 282 25113 1 . VAL 283 283 25113 1 . SER 284 284 25113 1 . LYS 285 285 25113 1 . ASP 286 286 25113 1 . PRO 287 287 25113 1 . LYS 288 288 25113 1 . ASN 289 289 25113 1 . ASN 290 290 25113 1 . SER 291 291 25113 1 . ARG 292 292 25113 1 . THR 293 293 25113 1 . LEU 294 294 25113 1 . ILE 295 295 25113 1 . PHE 296 296 25113 1 . PRO 297 297 25113 1 . TYR 298 298 25113 1 . ILE 299 299 25113 1 . PRO 300 300 25113 1 . ASP 301 301 25113 1 . LYS 302 302 25113 1 . ALA 303 303 25113 1 . VAL 304 304 25113 1 . TYR 305 305 25113 1 . ASN 306 306 25113 1 . ALA 307 307 25113 1 . ILE 308 308 25113 1 . VAL 309 309 25113 1 . LYS 310 310 25113 1 . VAL 311 311 25113 1 . VAL 312 312 25113 1 . VAL 313 313 25113 1 . ALA 314 314 25113 1 . ASN 315 315 25113 1 . ILE 316 316 25113 1 . GLY 317 317 25113 1 . ALA 318 318 25113 1 . GLU 319 319 25113 1 . GLY 320 320 25113 1 . GLN 321 321 25113 1 . TYR 322 322 25113 1 . HIS 323 323 25113 1 . VAL 324 324 25113 1 . ARG 325 325 25113 1 . ILE 326 326 25113 1 . ILE 327 327 25113 1 . ASN 328 328 25113 1 . GLN 329 329 25113 1 . ASP 330 330 25113 1 . ILE 331 331 25113 1 . ASN 332 332 25113 1 . THR 333 333 25113 1 . LYS 334 334 25113 1 . ASP 335 335 25113 1 . ASP 336 336 25113 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25113 _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 $IsdH_N2N3 . 1280 organism . 'Staphylococcus aureus' firmicutes . . Bacteria . Staphylococcus aureus . . . . . . . . . . . . . 25113 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 25113 _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 $IsdH_N2N3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . pRM216 . . . 25113 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25113 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'IsdH N2N3' '[U-100% 15N]' . . 1 $IsdH_N2N3 . . 1.9 . . mM . . . . 25113 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25113 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25113 1 4 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 25113 1 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 25113 1 6 H2O 'natural abundance' . . . . . . 93 . . % . . . . 25113 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25113 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'IsdH N2N3' '[U-100% 13C; U-100% 15N]' . . 1 $IsdH_N2N3 . . 1.0 . . mM . . . . 25113 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25113 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25113 2 4 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 25113 2 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 25113 2 6 H2O 'natural abundance' . . . . . . 93 . . % . . . . 25113 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25113 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'IsdH N2N3' '[U-13C; U-15N; U-2H]' . . 1 $IsdH_N2N3 . . 1.1 . . mM . . . . 25113 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25113 3 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25113 3 4 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 25113 3 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 25113 3 6 H2O 'natural abundance' . . . . . . 93 . . % . . . . 25113 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 25113 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'IsdH N2N3' 'U-[2H], Ile-[13CH3 D1], Leu, Val-[13CH3,12CD3]' . . 1 $IsdH_N2N3 . . 0.8 . . mM . . . . 25113 4 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25113 4 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25113 4 4 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 25113 4 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 25113 4 6 H2O 'natural abundance' . . . . . . 93 . . % . . . . 25113 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 25113 _Sample.ID 5 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'IsdH N2N3' '[U-100% 13C; U-100% 15N]' . . 1 $IsdH_N2N3 . . 1.2 . . mM . . . . 25113 5 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25113 5 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25113 5 4 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 25113 5 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25113 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 25113 _Sample.ID 6 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'IsdH N2N3' '[U-13C; U-15N; U-2H]' . . 1 $IsdH_N2N3 . . 1.1 . . mM . . . . 25113 6 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25113 6 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25113 6 4 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 25113 6 5 'POLYETHYLENE GLYCOL/HEXANOL' 'natural abundance' . . . . . . 5 . . % . . . . 25113 6 6 D2O 'natural abundance' . . . . . . 7 . . % . . . . 25113 6 7 H2O 'natural abundance' . . . . . . 93 . . % . . . . 25113 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 25113 _Sample.ID 7 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'IsdH N2N3' [U-15N] . . 1 $IsdH_N2N3 . . 1 . . mM . . . . 25113 7 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25113 7 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25113 7 4 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 25113 7 5 'pf1 PHAGES' 'natural abundance' . . . . . . 9 . . mg/mL . . . . 25113 7 6 D2O 'natural abundance' . . . . . . 7 . . % . . . . 25113 7 7 H2O 'natural abundance' . . . . . . 93 . . % . . . . 25113 7 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 25113 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 140 . mM 25113 1 pH 6.0 . pH 25113 1 pressure 1 . atm 25113 1 temperature 310 . K 25113 1 stop_ save_ ############################ # Computer software used # ############################ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 25113 _Software.ID 1 _Software.Type . _Software.Name PIPP _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 25113 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 25113 1 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25113 _Software.ID 2 _Software.Type . _Software.Name X-PLOR_NIH _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25113 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 25113 2 'structure solution' . 25113 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 25113 _Software.ID 3 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25113 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 25113 3 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 25113 _Software.ID 4 _Software.Type . _Software.Name ProcheckNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 25113 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'geometry optimization' . 25113 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25113 _Software.ID 5 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25113 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'geometry optimization' . 25113 5 stop_ save_ save_MODULE _Software.Sf_category software _Software.Sf_framecode MODULE _Software.Entry_ID 25113 _Software.ID 6 _Software.Type . _Software.Name MODULE _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(MODULE)-Dosset, P.; Hus, J-C; Marion, D; Blackledge, M.' . . 25113 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 25113 6 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 25113 _Software.ID 7 _Software.Type . _Software.Name xwinnmr _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25113 7 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 25113 7 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25113 _Software.ID 8 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25113 8 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 25113 8 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 25113 _Software.ID 9 _Software.Type . _Software.Name Molmol _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 25113 9 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 25113 9 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25113 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25113 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25113 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25113 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 25113 1 2 spectrometer_2 Bruker Avance . 600 . . . 25113 1 3 spectrometer_3 Bruker Avance . 800 . . . 25113 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25113 _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 HSQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . . 25113 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . . 25113 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 25113 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . . 25113 1 5 '3D HNHA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 25113 1 6 '3D HNCO' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 25113 1 7 '3D HN(CA)CO' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 25113 1 8 '3D HNCACB' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . . 25113 1 9 '3D HN(CO)CACB' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . . 25113 1 10 '3D HCCH-COSY' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 25113 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . . 25113 1 12 '3D (H)CCH-TOCSY' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . . 25113 1 13 '3D HBHA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 25113 1 14 '3D CC(CO)NH' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 25113 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . . 25113 1 16 '3D 1H-15N NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . . 25113 1 17 '3D 1H-15N NOESY' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . . 25113 1 18 '3D 1H-13C NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . . 25113 1 19 '3D 1H-13C NOESY' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . . 25113 1 20 '3D 1H-13C NOESY' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 25113 1 21 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 25113 1 22 '2D 1H-15N HSQC' no . . . . . . . . . . . . 6 $sample_6 anisotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . . 25113 1 23 '2D 1H-15N HSQC' no . . . . . . . . . . . . 7 $sample_7 anisotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 25113 1 24 '2D 1H-15N HSQC NOE with interleaved presat and no sat' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . . 25113 1 25 '2D 1H-15N HSQC T1 relaxation' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . . 25113 1 26 '2D 1H-15N HSQC T2 relaxation' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . . 25113 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25113 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25113 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25113 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25113 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25113 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25113 1 2 '2D 1H-15N HSQC' . . . 25113 1 3 '2D 1H-13C HSQC' . . . 25113 1 4 '2D 1H-13C HSQC' . . . 25113 1 5 '3D HNHA' . . . 25113 1 6 '3D HNCO' . . . 25113 1 7 '3D HN(CA)CO' . . . 25113 1 8 '3D HNCACB' . . . 25113 1 9 '3D HN(CO)CACB' . . . 25113 1 10 '3D HCCH-COSY' . . . 25113 1 11 '3D HCCH-TOCSY' . . . 25113 1 12 '3D (H)CCH-TOCSY' . . . 25113 1 13 '3D HBHA(CO)NH' . . . 25113 1 14 '3D CC(CO)NH' . . . 25113 1 15 '3D 1H-15N NOESY' . . . 25113 1 16 '3D 1H-15N NOESY' . . . 25113 1 17 '3D 1H-15N NOESY' . . . 25113 1 18 '3D 1H-13C NOESY' . . . 25113 1 19 '3D 1H-13C NOESY' . . . 25113 1 20 '3D 1H-13C NOESY' . . . 25113 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID 'TROSY offset' 'amide protons' 1 0.14 . 25113 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 7 7 GLN H H 1 8.02 0.05 . 1 . . . . . 331 GLN H . 25113 1 2 . 1 . 1 7 7 GLN C C 13 176.54 0.08 . 1 . . . . . 331 GLN C . 25113 1 3 . 1 . 1 7 7 GLN CA C 13 57.47 0.08 . 1 . . . . . 331 GLN CA . 25113 1 4 . 1 . 1 7 7 GLN CB C 13 27.06 0.08 . 1 . . . . . 331 GLN CB . 25113 1 5 . 1 . 1 7 7 GLN N N 15 113.01 0.12 . 1 . . . . . 331 GLN N . 25113 1 6 . 1 . 1 8 8 ASP H H 1 7.33 0.05 . 1 . . . . . 332 ASP H . 25113 1 7 . 1 . 1 8 8 ASP HA H 1 4.65 0.05 . 1 . . . . . 332 ASP HA . 25113 1 8 . 1 . 1 8 8 ASP C C 13 178.35 0.08 . 1 . . . . . 332 ASP C . 25113 1 9 . 1 . 1 8 8 ASP CA C 13 55.54 0.08 . 1 . . . . . 332 ASP CA . 25113 1 10 . 1 . 1 8 8 ASP CB C 13 40.49 0.08 . 1 . . . . . 332 ASP CB . 25113 1 11 . 1 . 1 8 8 ASP N N 15 118.09 0.12 . 1 . . . . . 332 ASP N . 25113 1 12 . 1 . 1 9 9 ALA H H 1 8.12 0.05 . 1 . . . . . 333 ALA H . 25113 1 13 . 1 . 1 9 9 ALA HA H 1 4.14 0.05 . 1 . . . . . 333 ALA HA . 25113 1 14 . 1 . 1 9 9 ALA HB1 H 1 1.52 0.05 . . . . . . . 333 ALA HB# . 25113 1 15 . 1 . 1 9 9 ALA HB2 H 1 1.52 0.05 . . . . . . . 333 ALA HB# . 25113 1 16 . 1 . 1 9 9 ALA HB3 H 1 1.52 0.05 . . . . . . . 333 ALA HB# . 25113 1 17 . 1 . 1 9 9 ALA C C 13 180.21 0.08 . 1 . . . . . 333 ALA C . 25113 1 18 . 1 . 1 9 9 ALA CA C 13 54.04 0.08 . 1 . . . . . 333 ALA CA . 25113 1 19 . 1 . 1 9 9 ALA CB C 13 17.77 0.08 . 1 . . . . . 333 ALA CB . 25113 1 20 . 1 . 1 9 9 ALA N N 15 126.34 0.12 . 1 . . . . . 333 ALA N . 25113 1 21 . 1 . 1 10 10 ILE H H 1 7.60 0.05 . 1 . . . . . 334 ILE H . 25113 1 22 . 1 . 1 10 10 ILE HA H 1 3.69 0.05 . 1 . . . . . 334 ILE HA . 25113 1 23 . 1 . 1 10 10 ILE HB H 1 0.97 0.05 . 1 . . . . . 334 ILE HB . 25113 1 24 . 1 . 1 10 10 ILE HG21 H 1 0.54 0.05 . . . . . . . 334 ILE HG2# . 25113 1 25 . 1 . 1 10 10 ILE HG22 H 1 0.54 0.05 . . . . . . . 334 ILE HG2# . 25113 1 26 . 1 . 1 10 10 ILE HG23 H 1 0.54 0.05 . . . . . . . 334 ILE HG2# . 25113 1 27 . 1 . 1 10 10 ILE HD11 H 1 0.30 0.05 . . . . . . . 334 ILE HD1# . 25113 1 28 . 1 . 1 10 10 ILE HD12 H 1 0.30 0.05 . . . . . . . 334 ILE HD1# . 25113 1 29 . 1 . 1 10 10 ILE HD13 H 1 0.30 0.05 . . . . . . . 334 ILE HD1# . 25113 1 30 . 1 . 1 10 10 ILE C C 13 173.83 0.08 . 1 . . . . . 334 ILE C . 25113 1 31 . 1 . 1 10 10 ILE CA C 13 62.76 0.08 . 1 . . . . . 334 ILE CA . 25113 1 32 . 1 . 1 10 10 ILE CB C 13 35.53 0.08 . 1 . . . . . 334 ILE CB . 25113 1 33 . 1 . 1 10 10 ILE CG1 C 13 23.98 0.08 . 1 . . . . . 334 ILE CG1 . 25113 1 34 . 1 . 1 10 10 ILE CG2 C 13 16.16 0.08 . 1 . . . . . 334 ILE CG2 . 25113 1 35 . 1 . 1 10 10 ILE CD1 C 13 12.43 0.08 . 1 . . . . . 334 ILE CD1 . 25113 1 36 . 1 . 1 10 10 ILE N N 15 110.21 0.12 . 1 . . . . . 334 ILE N . 25113 1 37 . 1 . 1 11 11 LYS H H 1 6.85 0.05 . 1 . . . . . 335 LYS H . 25113 1 38 . 1 . 1 11 11 LYS HA H 1 4.15 0.05 . 1 . . . . . 335 LYS HA . 25113 1 39 . 1 . 1 11 11 LYS HB2 H 1 1.72 0.05 . 2 . . . . . 335 LYS HB2 . 25113 1 40 . 1 . 1 11 11 LYS HB3 H 1 2.01 0.05 . 2 . . . . . 335 LYS HB3 . 25113 1 41 . 1 . 1 11 11 LYS C C 13 176.61 0.08 . 1 . . . . . 335 LYS C . 25113 1 42 . 1 . 1 11 11 LYS CA C 13 54.80 0.08 . 1 . . . . . 335 LYS CA . 25113 1 43 . 1 . 1 11 11 LYS CB C 13 30.63 0.08 . 1 . . . . . 335 LYS CB . 25113 1 44 . 1 . 1 11 11 LYS N N 15 116.51 0.12 . 1 . . . . . 335 LYS N . 25113 1 45 . 1 . 1 12 12 ASN H H 1 7.06 0.05 . 1 . . . . . 336 ASN H . 25113 1 46 . 1 . 1 12 12 ASN HA H 1 4.73 0.05 . 1 . . . . . 336 ASN HA . 25113 1 47 . 1 . 1 12 12 ASN C C 13 174.27 0.08 . 1 . . . . . 336 ASN C . 25113 1 48 . 1 . 1 12 12 ASN CA C 13 49.80 0.08 . 1 . . . . . 336 ASN CA . 25113 1 49 . 1 . 1 12 12 ASN CB C 13 38.32 0.08 . 1 . . . . . 336 ASN CB . 25113 1 50 . 1 . 1 12 12 ASN N N 15 120.43 0.12 . 1 . . . . . 336 ASN N . 25113 1 51 . 1 . 1 13 13 PRO C C 13 177.95 0.08 . 1 . . . . . 337 PRO C . 25113 1 52 . 1 . 1 13 13 PRO CA C 13 63.78 0.08 . 1 . . . . . 337 PRO CA . 25113 1 53 . 1 . 1 13 13 PRO CB C 13 30.75 0.08 . 1 . . . . . 337 PRO CB . 25113 1 54 . 1 . 1 14 14 ALA H H 1 7.82 0.05 . 1 . . . . . 338 ALA H . 25113 1 55 . 1 . 1 14 14 ALA HA H 1 4.22 0.05 . 1 . . . . . 338 ALA HA . 25113 1 56 . 1 . 1 14 14 ALA HB1 H 1 1.43 0.05 . . . . . . . 338 ALA HB# . 25113 1 57 . 1 . 1 14 14 ALA HB2 H 1 1.43 0.05 . . . . . . . 338 ALA HB# . 25113 1 58 . 1 . 1 14 14 ALA HB3 H 1 1.43 0.05 . . . . . . . 338 ALA HB# . 25113 1 59 . 1 . 1 14 14 ALA C C 13 179.05 0.08 . 1 . . . . . 338 ALA C . 25113 1 60 . 1 . 1 14 14 ALA CA C 13 53.32 0.08 . 1 . . . . . 338 ALA CA . 25113 1 61 . 1 . 1 14 14 ALA CB C 13 17.80 0.08 . 1 . . . . . 338 ALA CB . 25113 1 62 . 1 . 1 14 14 ALA N N 15 117.62 0.12 . 1 . . . . . 338 ALA N . 25113 1 63 . 1 . 1 15 15 ILE H H 1 7.61 0.05 . 1 . . . . . 339 ILE H . 25113 1 64 . 1 . 1 15 15 ILE HA H 1 4.56 0.05 . 1 . . . . . 339 ILE HA . 25113 1 65 . 1 . 1 15 15 ILE HB H 1 2.04 0.05 . 1 . . . . . 339 ILE HB . 25113 1 66 . 1 . 1 15 15 ILE HG12 H 1 1.16 0.05 . 2 . . . . . 339 ILE HG12 . 25113 1 67 . 1 . 1 15 15 ILE HG13 H 1 1.34 0.05 . 2 . . . . . 339 ILE HG13 . 25113 1 68 . 1 . 1 15 15 ILE HG21 H 1 0.81 0.05 . . . . . . . 339 ILE HG2# . 25113 1 69 . 1 . 1 15 15 ILE HG22 H 1 0.81 0.05 . . . . . . . 339 ILE HG2# . 25113 1 70 . 1 . 1 15 15 ILE HG23 H 1 0.81 0.05 . . . . . . . 339 ILE HG2# . 25113 1 71 . 1 . 1 15 15 ILE HD11 H 1 0.83 0.05 . . . . . . . 339 ILE HD1# . 25113 1 72 . 1 . 1 15 15 ILE HD12 H 1 0.83 0.05 . . . . . . . 339 ILE HD1# . 25113 1 73 . 1 . 1 15 15 ILE HD13 H 1 0.83 0.05 . . . . . . . 339 ILE HD1# . 25113 1 74 . 1 . 1 15 15 ILE C C 13 176.80 0.08 . 1 . . . . . 339 ILE C . 25113 1 75 . 1 . 1 15 15 ILE CA C 13 58.07 0.08 . 1 . . . . . 339 ILE CA . 25113 1 76 . 1 . 1 15 15 ILE CB C 13 38.79 0.08 . 1 . . . . . 339 ILE CB . 25113 1 77 . 1 . 1 15 15 ILE CG1 C 13 26.62 0.08 . 1 . . . . . 339 ILE CG1 . 25113 1 78 . 1 . 1 15 15 ILE CG2 C 13 19.23 0.08 . 1 . . . . . 339 ILE CG2 . 25113 1 79 . 1 . 1 15 15 ILE CD1 C 13 14.18 0.08 . 1 . . . . . 339 ILE CD1 . 25113 1 80 . 1 . 1 15 15 ILE N N 15 108.43 0.12 . 1 . . . . . 339 ILE N . 25113 1 81 . 1 . 1 16 16 ILE H H 1 7.11 0.05 . 1 . . . . . 340 ILE H . 25113 1 82 . 1 . 1 16 16 ILE HA H 1 4.08 0.05 . 1 . . . . . 340 ILE HA . 25113 1 83 . 1 . 1 16 16 ILE HB H 1 1.83 0.05 . 1 . . . . . 340 ILE HB . 25113 1 84 . 1 . 1 16 16 ILE HG12 H 1 2.04 0.05 . 2 . . . . . 340 ILE HG12 . 25113 1 85 . 1 . 1 16 16 ILE HG13 H 1 2.04 0.05 . 2 . . . . . 340 ILE HG13 . 25113 1 86 . 1 . 1 16 16 ILE HG21 H 1 1.07 0.05 . . . . . . . 340 ILE HG2# . 25113 1 87 . 1 . 1 16 16 ILE HG22 H 1 1.07 0.05 . . . . . . . 340 ILE HG2# . 25113 1 88 . 1 . 1 16 16 ILE HG23 H 1 1.07 0.05 . . . . . . . 340 ILE HG2# . 25113 1 89 . 1 . 1 16 16 ILE HD11 H 1 0.89 0.05 . . . . . . . 340 ILE HD1# . 25113 1 90 . 1 . 1 16 16 ILE HD12 H 1 0.89 0.05 . . . . . . . 340 ILE HD1# . 25113 1 91 . 1 . 1 16 16 ILE HD13 H 1 0.89 0.05 . . . . . . . 340 ILE HD1# . 25113 1 92 . 1 . 1 16 16 ILE C C 13 176.10 0.08 . 1 . . . . . 340 ILE C . 25113 1 93 . 1 . 1 16 16 ILE CA C 13 63.82 0.08 . 1 . . . . . 340 ILE CA . 25113 1 94 . 1 . 1 16 16 ILE CB C 13 36.08 0.08 . 1 . . . . . 340 ILE CB . 25113 1 95 . 1 . 1 16 16 ILE CG1 C 13 27.37 0.08 . 1 . . . . . 340 ILE CG1 . 25113 1 96 . 1 . 1 16 16 ILE CG2 C 13 16.19 0.08 . 1 . . . . . 340 ILE CG2 . 25113 1 97 . 1 . 1 16 16 ILE CD1 C 13 12.39 0.08 . 1 . . . . . 340 ILE CD1 . 25113 1 98 . 1 . 1 16 16 ILE N N 15 124.13 0.12 . 1 . . . . . 340 ILE N . 25113 1 99 . 1 . 1 17 17 ASP H H 1 10.37 0.05 . 1 . . . . . 341 ASP H . 25113 1 100 . 1 . 1 17 17 ASP C C 13 174.86 0.08 . 1 . . . . . 341 ASP C . 25113 1 101 . 1 . 1 17 17 ASP CA C 13 55.16 0.08 . 1 . . . . . 341 ASP CA . 25113 1 102 . 1 . 1 17 17 ASP CB C 13 38.10 0.08 . 1 . . . . . 341 ASP CB . 25113 1 103 . 1 . 1 17 17 ASP N N 15 127.23 0.12 . 1 . . . . . 341 ASP N . 25113 1 104 . 1 . 1 18 18 LYS H H 1 6.98 0.05 . 1 . . . . . 342 LYS H . 25113 1 105 . 1 . 1 18 18 LYS HA H 1 4.31 0.05 . 1 . . . . . 342 LYS HA . 25113 1 106 . 1 . 1 18 18 LYS C C 13 177.81 0.08 . 1 . . . . . 342 LYS C . 25113 1 107 . 1 . 1 18 18 LYS CA C 13 54.91 0.08 . 1 . . . . . 342 LYS CA . 25113 1 108 . 1 . 1 18 18 LYS CB C 13 32.86 0.08 . 1 . . . . . 342 LYS CB . 25113 1 109 . 1 . 1 18 18 LYS N N 15 119.29 0.12 . 1 . . . . . 342 LYS N . 25113 1 110 . 1 . 1 19 19 GLU H H 1 9.01 0.05 . 1 . . . . . 343 GLU H . 25113 1 111 . 1 . 1 19 19 GLU C C 13 175.89 0.08 . 1 . . . . . 343 GLU C . 25113 1 112 . 1 . 1 19 19 GLU CA C 13 56.89 0.08 . 1 . . . . . 343 GLU CA . 25113 1 113 . 1 . 1 19 19 GLU CB C 13 28.22 0.08 . 1 . . . . . 343 GLU CB . 25113 1 114 . 1 . 1 19 19 GLU N N 15 128.65 0.12 . 1 . . . . . 343 GLU N . 25113 1 115 . 1 . 1 20 20 HIS H H 1 8.89 0.05 . 1 . . . . . 344 HIS H . 25113 1 116 . 1 . 1 20 20 HIS HA H 1 4.82 0.05 . 1 . . . . . 344 HIS HA . 25113 1 117 . 1 . 1 20 20 HIS C C 13 173.07 0.08 . 1 . . . . . 344 HIS C . 25113 1 118 . 1 . 1 20 20 HIS CA C 13 52.67 0.08 . 1 . . . . . 344 HIS CA . 25113 1 119 . 1 . 1 20 20 HIS CB C 13 26.40 0.08 . 1 . . . . . 344 HIS CB . 25113 1 120 . 1 . 1 20 20 HIS N N 15 120.14 0.12 . 1 . . . . . 344 HIS N . 25113 1 121 . 1 . 1 21 21 THR H H 1 7.70 0.05 . 1 . . . . . 345 THR H . 25113 1 122 . 1 . 1 21 21 THR HA H 1 3.75 0.05 . 1 . . . . . 345 THR HA . 25113 1 123 . 1 . 1 21 21 THR HB H 1 3.92 0.05 . 1 . . . . . 345 THR HB . 25113 1 124 . 1 . 1 21 21 THR HG21 H 1 1.02 0.05 . . . . . . . 345 THR HG2# . 25113 1 125 . 1 . 1 21 21 THR HG22 H 1 1.02 0.05 . . . . . . . 345 THR HG2# . 25113 1 126 . 1 . 1 21 21 THR HG23 H 1 1.02 0.05 . . . . . . . 345 THR HG2# . 25113 1 127 . 1 . 1 21 21 THR C C 13 173.51 0.08 . 1 . . . . . 345 THR C . 25113 1 128 . 1 . 1 21 21 THR CA C 13 61.01 0.08 . 1 . . . . . 345 THR CA . 25113 1 129 . 1 . 1 21 21 THR CB C 13 68.77 0.08 . 1 . . . . . 345 THR CB . 25113 1 130 . 1 . 1 21 21 THR CG2 C 13 20.52 0.08 . 1 . . . . . 345 THR CG2 . 25113 1 131 . 1 . 1 21 21 THR N N 15 115.89 0.12 . 1 . . . . . 345 THR N . 25113 1 132 . 1 . 1 22 22 ALA H H 1 8.35 0.05 . 1 . . . . . 346 ALA H . 25113 1 133 . 1 . 1 22 22 ALA HA H 1 4.53 0.05 . 1 . . . . . 346 ALA HA . 25113 1 134 . 1 . 1 22 22 ALA HB1 H 1 1.32 0.05 . . . . . . . 346 ALA HB# . 25113 1 135 . 1 . 1 22 22 ALA HB2 H 1 1.32 0.05 . . . . . . . 346 ALA HB# . 25113 1 136 . 1 . 1 22 22 ALA HB3 H 1 1.32 0.05 . . . . . . . 346 ALA HB# . 25113 1 137 . 1 . 1 22 22 ALA C C 13 176.27 0.08 . 1 . . . . . 346 ALA C . 25113 1 138 . 1 . 1 22 22 ALA CA C 13 49.92 0.08 . 1 . . . . . 346 ALA CA . 25113 1 139 . 1 . 1 22 22 ALA CB C 13 19.73 0.08 . 1 . . . . . 346 ALA CB . 25113 1 140 . 1 . 1 22 22 ALA N N 15 127.49 0.12 . 1 . . . . . 346 ALA N . 25113 1 141 . 1 . 1 23 23 ASP H H 1 8.40 0.05 . 1 . . . . . 347 ASP H . 25113 1 142 . 1 . 1 23 23 ASP HA H 1 4.47 0.05 . 1 . . . . . 347 ASP HA . 25113 1 143 . 1 . 1 23 23 ASP HB2 H 1 2.70 0.05 . 2 . . . . . 347 ASP HB2 . 25113 1 144 . 1 . 1 23 23 ASP HB3 H 1 2.70 0.05 . 2 . . . . . 347 ASP HB3 . 25113 1 145 . 1 . 1 23 23 ASP C C 13 176.38 0.08 . 1 . . . . . 347 ASP C . 25113 1 146 . 1 . 1 23 23 ASP CA C 13 55.54 0.08 . 1 . . . . . 347 ASP CA . 25113 1 147 . 1 . 1 23 23 ASP CB C 13 40.02 0.08 . 1 . . . . . 347 ASP CB . 25113 1 148 . 1 . 1 23 23 ASP N N 15 119.54 0.12 . 1 . . . . . 347 ASP N . 25113 1 149 . 1 . 1 24 24 ASN H H 1 7.96 0.05 . 1 . . . . . 348 ASN H . 25113 1 150 . 1 . 1 24 24 ASN HA H 1 5.08 0.05 . 1 . . . . . 348 ASN HA . 25113 1 151 . 1 . 1 24 24 ASN HB2 H 1 2.73 0.05 . 2 . . . . . 348 ASN HB2 . 25113 1 152 . 1 . 1 24 24 ASN HB3 H 1 3.04 0.05 . 2 . . . . . 348 ASN HB3 . 25113 1 153 . 1 . 1 24 24 ASN C C 13 172.71 0.08 . 1 . . . . . 348 ASN C . 25113 1 154 . 1 . 1 24 24 ASN CA C 13 52.01 0.08 . 1 . . . . . 348 ASN CA . 25113 1 155 . 1 . 1 24 24 ASN CB C 13 39.24 0.08 . 1 . . . . . 348 ASN CB . 25113 1 156 . 1 . 1 24 24 ASN N N 15 117.33 0.12 . 1 . . . . . 348 ASN N . 25113 1 157 . 1 . 1 25 25 TRP H H 1 8.18 0.05 . 1 . . . . . 349 TRP H . 25113 1 158 . 1 . 1 25 25 TRP HA H 1 5.64 0.05 . 1 . . . . . 349 TRP HA . 25113 1 159 . 1 . 1 25 25 TRP HE1 H 1 10.15 0.05 . 1 . . . . . 349 TRP HE1 . 25113 1 160 . 1 . 1 25 25 TRP C C 13 175.75 0.08 . 1 . . . . . 349 TRP C . 25113 1 161 . 1 . 1 25 25 TRP CA C 13 54.12 0.08 . 1 . . . . . 349 TRP CA . 25113 1 162 . 1 . 1 25 25 TRP CB C 13 31.21 0.08 . 1 . . . . . 349 TRP CB . 25113 1 163 . 1 . 1 25 25 TRP N N 15 122.26 0.12 . 1 . . . . . 349 TRP N . 25113 1 164 . 1 . 1 26 26 ARG H H 1 9.22 0.05 . 1 . . . . . 350 ARG H . 25113 1 165 . 1 . 1 26 26 ARG C C 13 172.49 0.08 . 1 . . . . . 350 ARG C . 25113 1 166 . 1 . 1 26 26 ARG CA C 13 51.09 0.08 . 1 . . . . . 350 ARG CA . 25113 1 167 . 1 . 1 26 26 ARG CB C 13 31.82 0.08 . 1 . . . . . 350 ARG CB . 25113 1 168 . 1 . 1 26 26 ARG N N 15 121.42 0.12 . 1 . . . . . 350 ARG N . 25113 1 169 . 1 . 1 27 27 PRO C C 13 175.47 0.08 . 1 . . . . . 351 PRO C . 25113 1 170 . 1 . 1 27 27 PRO CA C 13 61.04 0.08 . 1 . . . . . 351 PRO CA . 25113 1 171 . 1 . 1 27 27 PRO CB C 13 31.15 0.08 . 1 . . . . . 351 PRO CB . 25113 1 172 . 1 . 1 28 28 ILE H H 1 8.53 0.05 . 1 . . . . . 352 ILE H . 25113 1 173 . 1 . 1 28 28 ILE HA H 1 4.91 0.05 . 1 . . . . . 352 ILE HA . 25113 1 174 . 1 . 1 28 28 ILE HB H 1 1.82 0.05 . 1 . . . . . 352 ILE HB . 25113 1 175 . 1 . 1 28 28 ILE HG12 H 1 1.73 0.05 . 2 . . . . . 352 ILE HG12 . 25113 1 176 . 1 . 1 28 28 ILE HG13 H 1 1.73 0.05 . 2 . . . . . 352 ILE HG13 . 25113 1 177 . 1 . 1 28 28 ILE HG21 H 1 0.93 0.05 . . . . . . . 352 ILE HG2# . 25113 1 178 . 1 . 1 28 28 ILE HG22 H 1 0.93 0.05 . . . . . . . 352 ILE HG2# . 25113 1 179 . 1 . 1 28 28 ILE HG23 H 1 0.93 0.05 . . . . . . . 352 ILE HG2# . 25113 1 180 . 1 . 1 28 28 ILE HD11 H 1 1.34 0.05 . . . . . . . 352 ILE HD1# . 25113 1 181 . 1 . 1 28 28 ILE HD12 H 1 1.34 0.05 . . . . . . . 352 ILE HD1# . 25113 1 182 . 1 . 1 28 28 ILE HD13 H 1 1.34 0.05 . . . . . . . 352 ILE HD1# . 25113 1 183 . 1 . 1 28 28 ILE C C 13 172.67 0.08 . 1 . . . . . 352 ILE C . 25113 1 184 . 1 . 1 28 28 ILE CA C 13 57.09 0.08 . 1 . . . . . 352 ILE CA . 25113 1 185 . 1 . 1 28 28 ILE CB C 13 41.26 0.08 . 1 . . . . . 352 ILE CB . 25113 1 186 . 1 . 1 28 28 ILE CG1 C 13 27.39 0.08 . 1 . . . . . 352 ILE CG1 . 25113 1 187 . 1 . 1 28 28 ILE CG2 C 13 17.89 0.08 . 1 . . . . . 352 ILE CG2 . 25113 1 188 . 1 . 1 28 28 ILE CD1 C 13 14.60 0.08 . 1 . . . . . 352 ILE CD1 . 25113 1 189 . 1 . 1 28 28 ILE N N 15 116.55 0.12 . 1 . . . . . 352 ILE N . 25113 1 190 . 1 . 1 29 29 ASP H H 1 8.59 0.05 . 1 . . . . . 353 ASP H . 25113 1 191 . 1 . 1 29 29 ASP C C 13 175.44 0.08 . 1 . . . . . 353 ASP C . 25113 1 192 . 1 . 1 29 29 ASP CA C 13 53.74 0.08 . 1 . . . . . 353 ASP CA . 25113 1 193 . 1 . 1 29 29 ASP CB C 13 41.09 0.08 . 1 . . . . . 353 ASP CB . 25113 1 194 . 1 . 1 29 29 ASP N N 15 127.82 0.12 . 1 . . . . . 353 ASP N . 25113 1 195 . 1 . 1 30 30 PHE H H 1 8.20 0.05 . 1 . . . . . 354 PHE H . 25113 1 196 . 1 . 1 30 30 PHE C C 13 173.50 0.08 . 1 . . . . . 354 PHE C . 25113 1 197 . 1 . 1 30 30 PHE CA C 13 55.17 0.08 . 1 . . . . . 354 PHE CA . 25113 1 198 . 1 . 1 30 30 PHE CB C 13 41.09 0.08 . 1 . . . . . 354 PHE CB . 25113 1 199 . 1 . 1 30 30 PHE N N 15 113.54 0.12 . 1 . . . . . 354 PHE N . 25113 1 200 . 1 . 1 31 31 GLN H H 1 8.79 0.05 . 1 . . . . . 355 GLN H . 25113 1 201 . 1 . 1 31 31 GLN HA H 1 4.76 0.05 . 1 . . . . . 355 GLN HA . 25113 1 202 . 1 . 1 31 31 GLN C C 13 174.70 0.08 . 1 . . . . . 355 GLN C . 25113 1 203 . 1 . 1 31 31 GLN CA C 13 53.37 0.08 . 1 . . . . . 355 GLN CA . 25113 1 204 . 1 . 1 31 31 GLN CB C 13 32.02 0.08 . 1 . . . . . 355 GLN CB . 25113 1 205 . 1 . 1 31 31 GLN N N 15 117.71 0.12 . 1 . . . . . 355 GLN N . 25113 1 206 . 1 . 1 32 32 MET H H 1 8.90 0.05 . 1 . . . . . 356 MET H . 25113 1 207 . 1 . 1 32 32 MET CA C 13 52.78 0.08 . 1 . . . . . 356 MET CA . 25113 1 208 . 1 . 1 32 32 MET CB C 13 33.19 0.08 . 1 . . . . . 356 MET CB . 25113 1 209 . 1 . 1 32 32 MET N N 15 120.92 0.12 . 1 . . . . . 356 MET N . 25113 1 210 . 1 . 1 33 33 LYS H H 1 9.75 0.05 . 1 . . . . . 357 LYS H . 25113 1 211 . 1 . 1 33 33 LYS C C 13 175.91 0.08 . 1 . . . . . 357 LYS C . 25113 1 212 . 1 . 1 33 33 LYS N N 15 125.33 0.12 . 1 . . . . . 357 LYS N . 25113 1 213 . 1 . 1 36 36 LYS H H 1 7.71 0.05 . 1 . . . . . 360 LYS H . 25113 1 214 . 1 . 1 36 36 LYS HA H 1 4.47 0.05 . 1 . . . . . 360 LYS HA . 25113 1 215 . 1 . 1 36 36 LYS C C 13 177.08 0.08 . 1 . . . . . 360 LYS C . 25113 1 216 . 1 . 1 36 36 LYS CA C 13 54.60 0.08 . 1 . . . . . 360 LYS CA . 25113 1 217 . 1 . 1 36 36 LYS CB C 13 31.21 0.08 . 1 . . . . . 360 LYS CB . 25113 1 218 . 1 . 1 36 36 LYS N N 15 119.28 0.12 . 1 . . . . . 360 LYS N . 25113 1 219 . 1 . 1 37 37 GLY H H 1 8.14 0.05 . 1 . . . . . 361 GLY H . 25113 1 220 . 1 . 1 37 37 GLY HA2 H 1 3.56 0.05 . 2 . . . . . 361 GLY HA2 . 25113 1 221 . 1 . 1 37 37 GLY HA3 H 1 4.18 0.05 . 2 . . . . . 361 GLY HA3 . 25113 1 222 . 1 . 1 37 37 GLY C C 13 174.05 0.08 . 1 . . . . . 361 GLY C . 25113 1 223 . 1 . 1 37 37 GLY CA C 13 44.62 0.08 . 1 . . . . . 361 GLY CA . 25113 1 224 . 1 . 1 37 37 GLY N N 15 108.14 0.12 . 1 . . . . . 361 GLY N . 25113 1 225 . 1 . 1 38 38 GLU H H 1 7.80 0.05 . 1 . . . . . 362 GLU H . 25113 1 226 . 1 . 1 38 38 GLU C C 13 175.49 0.08 . 1 . . . . . 362 GLU C . 25113 1 227 . 1 . 1 38 38 GLU CA C 13 53.40 0.08 . 1 . . . . . 362 GLU CA . 25113 1 228 . 1 . 1 38 38 GLU CB C 13 29.71 0.08 . 1 . . . . . 362 GLU CB . 25113 1 229 . 1 . 1 38 38 GLU N N 15 120.66 0.12 . 1 . . . . . 362 GLU N . 25113 1 230 . 1 . 1 39 39 ARG H H 1 8.51 0.05 . 1 . . . . . 363 ARG H . 25113 1 231 . 1 . 1 39 39 ARG C C 13 175.59 0.08 . 1 . . . . . 363 ARG C . 25113 1 232 . 1 . 1 39 39 ARG CA C 13 56.31 0.08 . 1 . . . . . 363 ARG CA . 25113 1 233 . 1 . 1 39 39 ARG CB C 13 29.37 0.08 . 1 . . . . . 363 ARG CB . 25113 1 234 . 1 . 1 39 39 ARG N N 15 121.43 0.12 . 1 . . . . . 363 ARG N . 25113 1 235 . 1 . 1 48 48 VAL H H 1 8.56 0.05 . 1 . . . . . 372 VAL H . 25113 1 236 . 1 . 1 48 48 VAL HA H 1 4.48 0.05 . 1 . . . . . 372 VAL HA . 25113 1 237 . 1 . 1 48 48 VAL HB H 1 2.05 0.05 . 1 . . . . . 372 VAL HB . 25113 1 238 . 1 . 1 48 48 VAL C C 13 174.44 0.08 . 1 . . . . . 372 VAL C . 25113 1 239 . 1 . 1 48 48 VAL CA C 13 62.17 0.08 . 1 . . . . . 372 VAL CA . 25113 1 240 . 1 . 1 48 48 VAL CB C 13 30.68 0.08 . 1 . . . . . 372 VAL CB . 25113 1 241 . 1 . 1 48 48 VAL CG1 C 13 20.62 0.08 . 2 . . . . . 372 VAL CG1 . 25113 1 242 . 1 . 1 48 48 VAL N N 15 124.25 0.12 . 1 . . . . . 372 VAL N . 25113 1 243 . 1 . 1 49 49 GLU H H 1 8.10 0.05 . 1 . . . . . 373 GLU H . 25113 1 244 . 1 . 1 49 49 GLU HA H 1 4.82 0.05 . 1 . . . . . 373 GLU HA . 25113 1 245 . 1 . 1 49 49 GLU HB2 H 1 1.70 0.05 . . . . . . . 373 GLU HB2 . 25113 1 246 . 1 . 1 49 49 GLU HB3 H 1 1.70 0.05 . . . . . . . 373 GLU HB3 . 25113 1 247 . 1 . 1 49 49 GLU HG2 H 1 1.93 0.05 . 2 . . . . . 373 GLU HG2 . 25113 1 248 . 1 . 1 49 49 GLU HG3 H 1 2.13 0.05 . 2 . . . . . 373 GLU HG3 . 25113 1 249 . 1 . 1 49 49 GLU C C 13 175.29 0.08 . 1 . . . . . 373 GLU C . 25113 1 250 . 1 . 1 49 49 GLU CA C 13 51.35 0.08 . 1 . . . . . 373 GLU CA . 25113 1 251 . 1 . 1 49 49 GLU CB C 13 30.61 0.08 . 1 . . . . . 373 GLU CB . 25113 1 252 . 1 . 1 49 49 GLU CG C 13 33.66 0.08 . 1 . . . . . 373 GLU CG . 25113 1 253 . 1 . 1 49 49 GLU N N 15 127.12 0.12 . 1 . . . . . 373 GLU N . 25113 1 254 . 1 . 1 50 50 PRO HA H 1 4.83 0.05 . 1 . . . . . 374 PRO HA . 25113 1 255 . 1 . 1 50 50 PRO C C 13 177.23 0.08 . 1 . . . . . 374 PRO C . 25113 1 256 . 1 . 1 50 50 PRO CA C 13 62.75 0.08 . 1 . . . . . 374 PRO CA . 25113 1 257 . 1 . 1 50 50 PRO CB C 13 32.56 0.08 . 1 . . . . . 374 PRO CB . 25113 1 258 . 1 . 1 51 51 ALA H H 1 8.60 0.05 . 1 . . . . . 375 ALA H . 25113 1 259 . 1 . 1 51 51 ALA HA H 1 5.30 0.05 . 1 . . . . . 375 ALA HA . 25113 1 260 . 1 . 1 51 51 ALA HB1 H 1 1.60 0.05 . . . . . . . 375 ALA HB# . 25113 1 261 . 1 . 1 51 51 ALA HB2 H 1 1.60 0.05 . . . . . . . 375 ALA HB# . 25113 1 262 . 1 . 1 51 51 ALA HB3 H 1 1.60 0.05 . . . . . . . 375 ALA HB# . 25113 1 263 . 1 . 1 51 51 ALA C C 13 176.73 0.08 . 1 . . . . . 375 ALA C . 25113 1 264 . 1 . 1 51 51 ALA CA C 13 50.88 0.08 . 1 . . . . . 375 ALA CA . 25113 1 265 . 1 . 1 51 51 ALA CB C 13 17.72 0.08 . 1 . . . . . 375 ALA CB . 25113 1 266 . 1 . 1 51 51 ALA N N 15 119.84 0.12 . 1 . . . . . 375 ALA N . 25113 1 267 . 1 . 1 52 52 THR H H 1 8.30 0.05 . 1 . . . . . 376 THR H . 25113 1 268 . 1 . 1 52 52 THR HA H 1 4.76 0.05 . 1 . . . . . 376 THR HA . 25113 1 269 . 1 . 1 52 52 THR C C 13 172.36 0.08 . 1 . . . . . 376 THR C . 25113 1 270 . 1 . 1 52 52 THR CA C 13 61.63 0.08 . 1 . . . . . 376 THR CA . 25113 1 271 . 1 . 1 52 52 THR CB C 13 70.38 0.08 . 1 . . . . . 376 THR CB . 25113 1 272 . 1 . 1 52 52 THR N N 15 117.23 0.12 . 1 . . . . . 376 THR N . 25113 1 273 . 1 . 1 53 53 VAL H H 1 9.32 0.05 . 1 . . . . . 377 VAL H . 25113 1 274 . 1 . 1 53 53 VAL HA H 1 4.47 0.05 . 1 . . . . . 377 VAL HA . 25113 1 275 . 1 . 1 53 53 VAL HB H 1 1.37 0.05 . 1 . . . . . 377 VAL HB . 25113 1 276 . 1 . 1 53 53 VAL HG11 H 1 0.24 0.05 . . . . . . . 377 VAL HG1# . 25113 1 277 . 1 . 1 53 53 VAL HG12 H 1 0.24 0.05 . . . . . . . 377 VAL HG1# . 25113 1 278 . 1 . 1 53 53 VAL HG13 H 1 0.24 0.05 . . . . . . . 377 VAL HG1# . 25113 1 279 . 1 . 1 53 53 VAL HG21 H 1 0.60 0.05 . . . . . . . 377 VAL HG2# . 25113 1 280 . 1 . 1 53 53 VAL HG22 H 1 0.60 0.05 . . . . . . . 377 VAL HG2# . 25113 1 281 . 1 . 1 53 53 VAL HG23 H 1 0.60 0.05 . . . . . . . 377 VAL HG2# . 25113 1 282 . 1 . 1 53 53 VAL C C 13 173.37 0.08 . 1 . . . . . 377 VAL C . 25113 1 283 . 1 . 1 53 53 VAL CA C 13 59.88 0.08 . 1 . . . . . 377 VAL CA . 25113 1 284 . 1 . 1 53 53 VAL CB C 13 31.24 0.08 . 1 . . . . . 377 VAL CB . 25113 1 285 . 1 . 1 53 53 VAL CG1 C 13 19.70 0.08 . 2 . . . . . 377 VAL CG1 . 25113 1 286 . 1 . 1 53 53 VAL CG2 C 13 20.44 0.08 . 2 . . . . . 377 VAL CG2 . 25113 1 287 . 1 . 1 53 53 VAL N N 15 127.54 0.12 . 1 . . . . . 377 VAL N . 25113 1 288 . 1 . 1 54 54 ILE H H 1 9.33 0.05 . 1 . . . . . 378 ILE H . 25113 1 289 . 1 . 1 54 54 ILE HA H 1 4.02 0.05 . 1 . . . . . 378 ILE HA . 25113 1 290 . 1 . 1 54 54 ILE HB H 1 1.43 0.05 . 1 . . . . . 378 ILE HB . 25113 1 291 . 1 . 1 54 54 ILE HG12 H 1 1.32 0.05 . 2 . . . . . 378 ILE HG12 . 25113 1 292 . 1 . 1 54 54 ILE HG13 H 1 1.32 0.05 . 2 . . . . . 378 ILE HG13 . 25113 1 293 . 1 . 1 54 54 ILE HG21 H 1 0.73 0.05 . . . . . . . 378 ILE HG2# . 25113 1 294 . 1 . 1 54 54 ILE HG22 H 1 0.73 0.05 . . . . . . . 378 ILE HG2# . 25113 1 295 . 1 . 1 54 54 ILE HG23 H 1 0.73 0.05 . . . . . . . 378 ILE HG2# . 25113 1 296 . 1 . 1 54 54 ILE HD11 H 1 0.48 0.05 . . . . . . . 378 ILE HD1# . 25113 1 297 . 1 . 1 54 54 ILE HD12 H 1 0.48 0.05 . . . . . . . 378 ILE HD1# . 25113 1 298 . 1 . 1 54 54 ILE HD13 H 1 0.48 0.05 . . . . . . . 378 ILE HD1# . 25113 1 299 . 1 . 1 54 54 ILE C C 13 174.54 0.08 . 1 . . . . . 378 ILE C . 25113 1 300 . 1 . 1 54 54 ILE CA C 13 59.53 0.08 . 1 . . . . . 378 ILE CA . 25113 1 301 . 1 . 1 54 54 ILE CB C 13 38.70 0.08 . 1 . . . . . 378 ILE CB . 25113 1 302 . 1 . 1 54 54 ILE CG1 C 13 27.10 0.08 . 1 . . . . . 378 ILE CG1 . 25113 1 303 . 1 . 1 54 54 ILE CG2 C 13 16.08 0.08 . 1 . . . . . 378 ILE CG2 . 25113 1 304 . 1 . 1 54 54 ILE CD1 C 13 12.96 0.08 . 1 . . . . . 378 ILE CD1 . 25113 1 305 . 1 . 1 54 54 ILE N N 15 127.76 0.12 . 1 . . . . . 378 ILE N . 25113 1 306 . 1 . 1 55 55 PHE H H 1 7.24 0.05 . 1 . . . . . 379 PHE H . 25113 1 307 . 1 . 1 55 55 PHE HA H 1 4.93 0.05 . 1 . . . . . 379 PHE HA . 25113 1 308 . 1 . 1 55 55 PHE C C 13 176.86 0.08 . 1 . . . . . 379 PHE C . 25113 1 309 . 1 . 1 55 55 PHE CA C 13 56.33 0.08 . 1 . . . . . 379 PHE CA . 25113 1 310 . 1 . 1 55 55 PHE CB C 13 37.68 0.08 . 1 . . . . . 379 PHE CB . 25113 1 311 . 1 . 1 55 55 PHE N N 15 125.59 0.12 . 1 . . . . . 379 PHE N . 25113 1 312 . 1 . 1 56 56 THR H H 1 7.71 0.05 . 1 . . . . . 380 THR H . 25113 1 313 . 1 . 1 56 56 THR HA H 1 5.08 0.05 . 1 . . . . . 380 THR HA . 25113 1 314 . 1 . 1 56 56 THR C C 13 176.16 0.08 . 1 . . . . . 380 THR C . 25113 1 315 . 1 . 1 56 56 THR CA C 13 59.21 0.08 . 1 . . . . . 380 THR CA . 25113 1 316 . 1 . 1 56 56 THR CB C 13 71.80 0.08 . 1 . . . . . 380 THR CB . 25113 1 317 . 1 . 1 56 56 THR N N 15 114.74 0.12 . 1 . . . . . 380 THR N . 25113 1 318 . 1 . 1 58 58 THR H H 1 7.97 0.05 . 1 . . . . . 382 THR H . 25113 1 319 . 1 . 1 58 58 THR HA H 1 4.36 0.05 . 1 . . . . . 382 THR HA . 25113 1 320 . 1 . 1 58 58 THR C C 13 173.93 0.08 . 1 . . . . . 382 THR C . 25113 1 321 . 1 . 1 58 58 THR CA C 13 60.50 0.08 . 1 . . . . . 382 THR CA . 25113 1 322 . 1 . 1 58 58 THR CB C 13 67.75 0.08 . 1 . . . . . 382 THR CB . 25113 1 323 . 1 . 1 58 58 THR N N 15 107.49 0.12 . 1 . . . . . 382 THR N . 25113 1 324 . 1 . 1 59 59 GLY H H 1 7.28 0.05 . 1 . . . . . 383 GLY H . 25113 1 325 . 1 . 1 59 59 GLY HA2 H 1 4.83 0.05 . 2 . . . . . 383 GLY HA2 . 25113 1 326 . 1 . 1 59 59 GLY HA3 H 1 4.83 0.05 . 2 . . . . . 383 GLY HA3 . 25113 1 327 . 1 . 1 59 59 GLY C C 13 170.90 0.08 . 1 . . . . . 383 GLY C . 25113 1 328 . 1 . 1 59 59 GLY CA C 13 43.62 0.08 . 1 . . . . . 383 GLY CA . 25113 1 329 . 1 . 1 59 59 GLY N N 15 110.77 0.12 . 1 . . . . . 383 GLY N . 25113 1 330 . 1 . 1 60 60 PRO C C 13 176.36 0.08 . 1 . . . . . 384 PRO C . 25113 1 331 . 1 . 1 60 60 PRO CA C 13 61.71 0.08 . 1 . . . . . 384 PRO CA . 25113 1 332 . 1 . 1 60 60 PRO CB C 13 30.94 0.08 . 1 . . . . . 384 PRO CB . 25113 1 333 . 1 . 1 61 61 ILE H H 1 8.84 0.05 . 1 . . . . . 385 ILE H . 25113 1 334 . 1 . 1 61 61 ILE HA H 1 4.40 0.05 . 1 . . . . . 385 ILE HA . 25113 1 335 . 1 . 1 61 61 ILE HB H 1 1.50 0.05 . 1 . . . . . 385 ILE HB . 25113 1 336 . 1 . 1 61 61 ILE HG21 H 1 0.55 0.05 . . . . . . . 385 ILE HG2# . 25113 1 337 . 1 . 1 61 61 ILE HG22 H 1 0.55 0.05 . . . . . . . 385 ILE HG2# . 25113 1 338 . 1 . 1 61 61 ILE HG23 H 1 0.55 0.05 . . . . . . . 385 ILE HG2# . 25113 1 339 . 1 . 1 61 61 ILE HD11 H 1 0.65 0.05 . . . . . . . 385 ILE HD1# . 25113 1 340 . 1 . 1 61 61 ILE HD12 H 1 0.65 0.05 . . . . . . . 385 ILE HD1# . 25113 1 341 . 1 . 1 61 61 ILE HD13 H 1 0.65 0.05 . . . . . . . 385 ILE HD1# . 25113 1 342 . 1 . 1 61 61 ILE C C 13 173.90 0.08 . 1 . . . . . 385 ILE C . 25113 1 343 . 1 . 1 61 61 ILE CA C 13 58.00 0.08 . 1 . . . . . 385 ILE CA . 25113 1 344 . 1 . 1 61 61 ILE CB C 13 40.20 0.08 . 1 . . . . . 385 ILE CB . 25113 1 345 . 1 . 1 61 61 ILE CG2 C 13 16.66 0.08 . 1 . . . . . 385 ILE CG2 . 25113 1 346 . 1 . 1 61 61 ILE CD1 C 13 11.98 0.08 . 1 . . . . . 385 ILE CD1 . 25113 1 347 . 1 . 1 61 61 ILE N N 15 122.60 0.12 . 1 . . . . . 385 ILE N . 25113 1 348 . 1 . 1 62 62 ILE H H 1 8.51 0.05 . 1 . . . . . 386 ILE H . 25113 1 349 . 1 . 1 62 62 ILE HA H 1 4.71 0.05 . 1 . . . . . 386 ILE HA . 25113 1 350 . 1 . 1 62 62 ILE HB H 1 0.76 0.05 . 1 . . . . . 386 ILE HB . 25113 1 351 . 1 . 1 62 62 ILE HG12 H 1 0.92 0.05 . 2 . . . . . 386 ILE HG12 . 25113 1 352 . 1 . 1 62 62 ILE HG13 H 1 1.21 0.05 . 2 . . . . . 386 ILE HG13 . 25113 1 353 . 1 . 1 62 62 ILE HG21 H 1 0.42 0.05 . . . . . . . 386 ILE HG2# . 25113 1 354 . 1 . 1 62 62 ILE HG22 H 1 0.42 0.05 . . . . . . . 386 ILE HG2# . 25113 1 355 . 1 . 1 62 62 ILE HG23 H 1 0.42 0.05 . . . . . . . 386 ILE HG2# . 25113 1 356 . 1 . 1 62 62 ILE HD11 H 1 0.30 0.05 . . . . . . . 386 ILE HD1# . 25113 1 357 . 1 . 1 62 62 ILE HD12 H 1 0.30 0.05 . . . . . . . 386 ILE HD1# . 25113 1 358 . 1 . 1 62 62 ILE HD13 H 1 0.30 0.05 . . . . . . . 386 ILE HD1# . 25113 1 359 . 1 . 1 62 62 ILE C C 13 175.00 0.08 . 1 . . . . . 386 ILE C . 25113 1 360 . 1 . 1 62 62 ILE CA C 13 55.63 0.08 . 1 . . . . . 386 ILE CA . 25113 1 361 . 1 . 1 62 62 ILE CB C 13 34.72 0.08 . 1 . . . . . 386 ILE CB . 25113 1 362 . 1 . 1 62 62 ILE CG1 C 13 25.63 0.08 . 1 . . . . . 386 ILE CG1 . 25113 1 363 . 1 . 1 62 62 ILE CG2 C 13 15.55 0.08 . 1 . . . . . 386 ILE CG2 . 25113 1 364 . 1 . 1 62 62 ILE CD1 C 13 8.47 0.08 . 1 . . . . . 386 ILE CD1 . 25113 1 365 . 1 . 1 62 62 ILE N N 15 125.85 0.12 . 1 . . . . . 386 ILE N . 25113 1 366 . 1 . 1 63 63 GLU H H 1 9.17 0.05 . 1 . . . . . 387 GLU H . 25113 1 367 . 1 . 1 63 63 GLU HA H 1 5.35 0.05 . 1 . . . . . 387 GLU HA . 25113 1 368 . 1 . 1 63 63 GLU C C 13 174.00 0.08 . 1 . . . . . 387 GLU C . 25113 1 369 . 1 . 1 63 63 GLU CA C 13 53.30 0.08 . 1 . . . . . 387 GLU CA . 25113 1 370 . 1 . 1 63 63 GLU CB C 13 31.82 0.08 . 1 . . . . . 387 GLU CB . 25113 1 371 . 1 . 1 63 63 GLU N N 15 125.34 0.12 . 1 . . . . . 387 GLU N . 25113 1 372 . 1 . 1 64 64 LEU H H 1 9.02 0.05 . 1 . . . . . 388 LEU H . 25113 1 373 . 1 . 1 64 64 LEU HD11 H 1 0.77 0.05 . . . . . . . 388 LEU HD1# . 25113 1 374 . 1 . 1 64 64 LEU HD12 H 1 0.77 0.05 . . . . . . . 388 LEU HD1# . 25113 1 375 . 1 . 1 64 64 LEU HD13 H 1 0.77 0.05 . . . . . . . 388 LEU HD1# . 25113 1 376 . 1 . 1 64 64 LEU C C 13 174.65 0.08 . 1 . . . . . 388 LEU C . 25113 1 377 . 1 . 1 64 64 LEU CA C 13 51.57 0.08 . 1 . . . . . 388 LEU CA . 25113 1 378 . 1 . 1 64 64 LEU CB C 13 46.72 0.08 . 1 . . . . . 388 LEU CB . 25113 1 379 . 1 . 1 64 64 LEU CD1 C 13 23.25 0.08 . 2 . . . . . 388 LEU CD1 . 25113 1 380 . 1 . 1 64 64 LEU N N 15 131.38 0.12 . 1 . . . . . 388 LEU N . 25113 1 381 . 1 . 1 65 65 GLY H H 1 9.82 0.05 . 1 . . . . . 389 GLY H . 25113 1 382 . 1 . 1 65 65 GLY C C 13 171.57 0.08 . 1 . . . . . 389 GLY C . 25113 1 383 . 1 . 1 65 65 GLY CA C 13 43.74 0.08 . 1 . . . . . 389 GLY CA . 25113 1 384 . 1 . 1 65 65 GLY N N 15 113.91 0.12 . 1 . . . . . 389 GLY N . 25113 1 385 . 1 . 1 66 66 LEU H H 1 9.08 0.05 . 1 . . . . . 390 LEU H . 25113 1 386 . 1 . 1 66 66 LEU HA H 1 4.29 0.05 . 1 . . . . . 390 LEU HA . 25113 1 387 . 1 . 1 66 66 LEU HB2 H 1 1.95 0.05 . 2 . . . . . 390 LEU HB2 . 25113 1 388 . 1 . 1 66 66 LEU HB3 H 1 1.95 0.05 . 2 . . . . . 390 LEU HB3 . 25113 1 389 . 1 . 1 66 66 LEU HD11 H 1 -0.46 0.05 . . . . . . . 390 LEU HD1# . 25113 1 390 . 1 . 1 66 66 LEU HD12 H 1 -0.46 0.05 . . . . . . . 390 LEU HD1# . 25113 1 391 . 1 . 1 66 66 LEU HD13 H 1 -0.46 0.05 . . . . . . . 390 LEU HD1# . 25113 1 392 . 1 . 1 66 66 LEU HD21 H 1 -0.55 0.05 . . . . . . . 390 LEU HD2# . 25113 1 393 . 1 . 1 66 66 LEU HD22 H 1 -0.55 0.05 . . . . . . . 390 LEU HD2# . 25113 1 394 . 1 . 1 66 66 LEU HD23 H 1 -0.55 0.05 . . . . . . . 390 LEU HD2# . 25113 1 395 . 1 . 1 66 66 LEU C C 13 176.62 0.08 . 1 . . . . . 390 LEU C . 25113 1 396 . 1 . 1 66 66 LEU CA C 13 52.77 0.08 . 1 . . . . . 390 LEU CA . 25113 1 397 . 1 . 1 66 66 LEU CB C 13 41.29 0.08 . 1 . . . . . 390 LEU CB . 25113 1 398 . 1 . 1 66 66 LEU CD1 C 13 21.72 0.08 . 2 . . . . . 390 LEU CD1 . 25113 1 399 . 1 . 1 66 66 LEU CD2 C 13 22.82 0.08 . 2 . . . . . 390 LEU CD2 . 25113 1 400 . 1 . 1 66 66 LEU N N 15 126.79 0.12 . 1 . . . . . 390 LEU N . 25113 1 401 . 1 . 1 67 67 LYS H H 1 8.10 0.05 . 1 . . . . . 391 LYS H . 25113 1 402 . 1 . 1 67 67 LYS C C 13 176.44 0.08 . 1 . . . . . 391 LYS C . 25113 1 403 . 1 . 1 67 67 LYS CA C 13 54.10 0.08 . 1 . . . . . 391 LYS CA . 25113 1 404 . 1 . 1 67 67 LYS CB C 13 32.29 0.08 . 1 . . . . . 391 LYS CB . 25113 1 405 . 1 . 1 67 67 LYS N N 15 120.55 0.12 . 1 . . . . . 391 LYS N . 25113 1 406 . 1 . 1 68 68 THR H H 1 9.22 0.05 . 1 . . . . . 392 THR H . 25113 1 407 . 1 . 1 68 68 THR N N 15 115.89 0.12 . 1 . . . . . 392 THR N . 25113 1 408 . 1 . 1 69 69 ALA H H 1 8.66 0.05 . 1 . . . . . 393 ALA H . 25113 1 409 . 1 . 1 69 69 ALA HA H 1 4.07 0.05 . 1 . . . . . 393 ALA HA . 25113 1 410 . 1 . 1 69 69 ALA HB1 H 1 1.41 0.05 . . . . . . . 393 ALA HB# . 25113 1 411 . 1 . 1 69 69 ALA HB2 H 1 1.41 0.05 . . . . . . . 393 ALA HB# . 25113 1 412 . 1 . 1 69 69 ALA HB3 H 1 1.41 0.05 . . . . . . . 393 ALA HB# . 25113 1 413 . 1 . 1 69 69 ALA C C 13 177.85 0.08 . 1 . . . . . 393 ALA C . 25113 1 414 . 1 . 1 69 69 ALA CA C 13 55.12 0.08 . 1 . . . . . 393 ALA CA . 25113 1 415 . 1 . 1 69 69 ALA CB C 13 18.97 0.08 . 1 . . . . . 393 ALA CB . 25113 1 416 . 1 . 1 69 69 ALA N N 15 123.07 0.12 . 1 . . . . . 393 ALA N . 25113 1 417 . 1 . 1 70 70 SER H H 1 8.84 0.05 . 1 . . . . . 394 SER H . 25113 1 418 . 1 . 1 70 70 SER CA C 13 60.39 0.08 . 1 . . . . . 394 SER CA . 25113 1 419 . 1 . 1 70 70 SER CB C 13 62.02 0.08 . 1 . . . . . 394 SER CB . 25113 1 420 . 1 . 1 70 70 SER N N 15 109.74 0.12 . 1 . . . . . 394 SER N . 25113 1 421 . 1 . 1 71 71 THR H H 1 8.53 0.05 . 1 . . . . . 395 THR H . 25113 1 422 . 1 . 1 71 71 THR HA H 1 4.58 0.05 . 1 . . . . . 395 THR HA . 25113 1 423 . 1 . 1 71 71 THR C C 13 174.78 0.08 . 1 . . . . . 395 THR C . 25113 1 424 . 1 . 1 71 71 THR CA C 13 61.22 0.08 . 1 . . . . . 395 THR CA . 25113 1 425 . 1 . 1 71 71 THR CB C 13 69.33 0.08 . 1 . . . . . 395 THR CB . 25113 1 426 . 1 . 1 71 71 THR N N 15 112.88 0.12 . 1 . . . . . 395 THR N . 25113 1 427 . 1 . 1 72 72 TRP H H 1 7.70 0.05 . 1 . . . . . 396 TRP H . 25113 1 428 . 1 . 1 72 72 TRP HA H 1 4.59 0.05 . 1 . . . . . 396 TRP HA . 25113 1 429 . 1 . 1 72 72 TRP C C 13 175.38 0.08 . 1 . . . . . 396 TRP C . 25113 1 430 . 1 . 1 72 72 TRP CA C 13 57.71 0.08 . 1 . . . . . 396 TRP CA . 25113 1 431 . 1 . 1 72 72 TRP CB C 13 28.85 0.08 . 1 . . . . . 396 TRP CB . 25113 1 432 . 1 . 1 72 72 TRP N N 15 123.55 0.12 . 1 . . . . . 396 TRP N . 25113 1 433 . 1 . 1 76 76 GLU H H 1 8.62 0.05 . 1 . . . . . 400 GLU H . 25113 1 434 . 1 . 1 76 76 GLU HA H 1 4.46 0.05 . 1 . . . . . 400 GLU HA . 25113 1 435 . 1 . 1 76 76 GLU C C 13 174.53 0.08 . 1 . . . . . 400 GLU C . 25113 1 436 . 1 . 1 76 76 GLU CA C 13 53.43 0.08 . 1 . . . . . 400 GLU CA . 25113 1 437 . 1 . 1 76 76 GLU CB C 13 32.37 0.08 . 1 . . . . . 400 GLU CB . 25113 1 438 . 1 . 1 76 76 GLU N N 15 124.98 0.12 . 1 . . . . . 400 GLU N . 25113 1 439 . 1 . 1 77 77 VAL H H 1 8.55 0.05 . 1 . . . . . 401 VAL H . 25113 1 440 . 1 . 1 77 77 VAL HA H 1 4.68 0.05 . 1 . . . . . 401 VAL HA . 25113 1 441 . 1 . 1 77 77 VAL HB H 1 1.01 0.05 . 1 . . . . . 401 VAL HB . 25113 1 442 . 1 . 1 77 77 VAL HG11 H 1 0.01 0.05 . . . . . . . 401 VAL HG1# . 25113 1 443 . 1 . 1 77 77 VAL HG12 H 1 0.01 0.05 . . . . . . . 401 VAL HG1# . 25113 1 444 . 1 . 1 77 77 VAL HG13 H 1 0.01 0.05 . . . . . . . 401 VAL HG1# . 25113 1 445 . 1 . 1 77 77 VAL HG21 H 1 0.19 0.05 . . . . . . . 401 VAL HG2# . 25113 1 446 . 1 . 1 77 77 VAL HG22 H 1 0.19 0.05 . . . . . . . 401 VAL HG2# . 25113 1 447 . 1 . 1 77 77 VAL HG23 H 1 0.19 0.05 . . . . . . . 401 VAL HG2# . 25113 1 448 . 1 . 1 77 77 VAL C C 13 173.37 0.08 . 1 . . . . . 401 VAL C . 25113 1 449 . 1 . 1 77 77 VAL CA C 13 59.78 0.08 . 1 . . . . . 401 VAL CA . 25113 1 450 . 1 . 1 77 77 VAL CB C 13 32.41 0.08 . 1 . . . . . 401 VAL CB . 25113 1 451 . 1 . 1 77 77 VAL CG1 C 13 20.44 0.08 . 2 . . . . . 401 VAL CG1 . 25113 1 452 . 1 . 1 77 77 VAL CG2 C 13 19.92 0.08 . 2 . . . . . 401 VAL CG2 . 25113 1 453 . 1 . 1 77 77 VAL N N 15 121.28 0.12 . 1 . . . . . 401 VAL N . 25113 1 454 . 1 . 1 78 78 TYR H H 1 9.41 0.05 . 1 . . . . . 402 TYR H . 25113 1 455 . 1 . 1 78 78 TYR HA H 1 5.05 0.05 . 1 . . . . . 402 TYR HA . 25113 1 456 . 1 . 1 78 78 TYR C C 13 175.57 0.08 . 1 . . . . . 402 TYR C . 25113 1 457 . 1 . 1 78 78 TYR CA C 13 55.76 0.08 . 1 . . . . . 402 TYR CA . 25113 1 458 . 1 . 1 78 78 TYR CB C 13 41.17 0.08 . 1 . . . . . 402 TYR CB . 25113 1 459 . 1 . 1 78 78 TYR N N 15 123.87 0.12 . 1 . . . . . 402 TYR N . 25113 1 460 . 1 . 1 79 79 GLU H H 1 8.77 0.05 . 1 . . . . . 403 GLU H . 25113 1 461 . 1 . 1 79 79 GLU HA H 1 4.79 0.05 . 1 . . . . . 403 GLU HA . 25113 1 462 . 1 . 1 79 79 GLU C C 13 176.91 0.08 . 1 . . . . . 403 GLU C . 25113 1 463 . 1 . 1 79 79 GLU CA C 13 53.87 0.08 . 1 . . . . . 403 GLU CA . 25113 1 464 . 1 . 1 79 79 GLU CB C 13 30.60 0.08 . 1 . . . . . 403 GLU CB . 25113 1 465 . 1 . 1 79 79 GLU N N 15 123.75 0.12 . 1 . . . . . 403 GLU N . 25113 1 466 . 1 . 1 80 80 GLY H H 1 9.00 0.05 . 1 . . . . . 404 GLY H . 25113 1 467 . 1 . 1 80 80 GLY HA2 H 1 3.59 0.05 . 2 . . . . . 404 GLY HA2 . 25113 1 468 . 1 . 1 80 80 GLY HA3 H 1 3.59 0.05 . 2 . . . . . 404 GLY HA3 . 25113 1 469 . 1 . 1 80 80 GLY C C 13 174.24 0.08 . 1 . . . . . 404 GLY C . 25113 1 470 . 1 . 1 80 80 GLY CA C 13 46.38 0.08 . 1 . . . . . 404 GLY CA . 25113 1 471 . 1 . 1 80 80 GLY N N 15 118.87 0.12 . 1 . . . . . 404 GLY N . 25113 1 472 . 1 . 1 81 81 ASP H H 1 8.77 0.05 . 1 . . . . . 405 ASP H . 25113 1 473 . 1 . 1 81 81 ASP HA H 1 4.58 0.05 . 1 . . . . . 405 ASP HA . 25113 1 474 . 1 . 1 81 81 ASP C C 13 175.72 0.08 . 1 . . . . . 405 ASP C . 25113 1 475 . 1 . 1 81 81 ASP CA C 13 53.43 0.08 . 1 . . . . . 405 ASP CA . 25113 1 476 . 1 . 1 81 81 ASP CB C 13 39.95 0.08 . 1 . . . . . 405 ASP CB . 25113 1 477 . 1 . 1 81 81 ASP N N 15 126.28 0.12 . 1 . . . . . 405 ASP N . 25113 1 478 . 1 . 1 82 82 LYS H H 1 8.18 0.05 . 1 . . . . . 406 LYS H . 25113 1 479 . 1 . 1 82 82 LYS HA H 1 4.38 0.05 . 1 . . . . . 406 LYS HA . 25113 1 480 . 1 . 1 82 82 LYS C C 13 174.49 0.08 . 1 . . . . . 406 LYS C . 25113 1 481 . 1 . 1 82 82 LYS CA C 13 54.92 0.08 . 1 . . . . . 406 LYS CA . 25113 1 482 . 1 . 1 82 82 LYS CB C 13 32.28 0.08 . 1 . . . . . 406 LYS CB . 25113 1 483 . 1 . 1 82 82 LYS N N 15 122.85 0.12 . 1 . . . . . 406 LYS N . 25113 1 484 . 1 . 1 83 83 LYS H H 1 8.53 0.05 . 1 . . . . . 407 LYS H . 25113 1 485 . 1 . 1 83 83 LYS HA H 1 3.46 0.05 . 1 . . . . . 407 LYS HA . 25113 1 486 . 1 . 1 83 83 LYS C C 13 176.49 0.08 . 1 . . . . . 407 LYS C . 25113 1 487 . 1 . 1 83 83 LYS CA C 13 56.28 0.08 . 1 . . . . . 407 LYS CA . 25113 1 488 . 1 . 1 83 83 LYS CB C 13 31.35 0.08 . 1 . . . . . 407 LYS CB . 25113 1 489 . 1 . 1 83 83 LYS N N 15 128.67 0.12 . 1 . . . . . 407 LYS N . 25113 1 490 . 1 . 1 84 84 LEU H H 1 9.03 0.05 . 1 . . . . . 408 LEU H . 25113 1 491 . 1 . 1 84 84 LEU HA H 1 4.48 0.05 . 1 . . . . . 408 LEU HA . 25113 1 492 . 1 . 1 84 84 LEU HB2 H 1 1.51 0.05 . 2 . . . . . 408 LEU HB2 . 25113 1 493 . 1 . 1 84 84 LEU HB3 H 1 1.51 0.05 . 2 . . . . . 408 LEU HB3 . 25113 1 494 . 1 . 1 84 84 LEU HG H 1 0.71 0.05 . 1 . . . . . 408 LEU HG . 25113 1 495 . 1 . 1 84 84 LEU HD11 H 1 0.92 0.05 . . . . . . . 408 LEU HD1# . 25113 1 496 . 1 . 1 84 84 LEU HD12 H 1 0.92 0.05 . . . . . . . 408 LEU HD1# . 25113 1 497 . 1 . 1 84 84 LEU HD13 H 1 0.92 0.05 . . . . . . . 408 LEU HD1# . 25113 1 498 . 1 . 1 84 84 LEU HD21 H 1 0.95 0.05 . . . . . . . 408 LEU HD2# . 25113 1 499 . 1 . 1 84 84 LEU HD22 H 1 0.95 0.05 . . . . . . . 408 LEU HD2# . 25113 1 500 . 1 . 1 84 84 LEU HD23 H 1 0.95 0.05 . . . . . . . 408 LEU HD2# . 25113 1 501 . 1 . 1 84 84 LEU C C 13 174.94 0.08 . 1 . . . . . 408 LEU C . 25113 1 502 . 1 . 1 84 84 LEU CA C 13 51.57 0.08 . 1 . . . . . 408 LEU CA . 25113 1 503 . 1 . 1 84 84 LEU CB C 13 39.91 0.08 . 1 . . . . . 408 LEU CB . 25113 1 504 . 1 . 1 84 84 LEU CG C 13 23.59 0.08 . 1 . . . . . 408 LEU CG . 25113 1 505 . 1 . 1 84 84 LEU CD1 C 13 21.22 0.08 . 2 . . . . . 408 LEU CD1 . 25113 1 506 . 1 . 1 84 84 LEU CD2 C 13 20.86 0.08 . 2 . . . . . 408 LEU CD2 . 25113 1 507 . 1 . 1 84 84 LEU N N 15 130.51 0.12 . 1 . . . . . 408 LEU N . 25113 1 508 . 1 . 1 85 85 PRO C C 13 175.45 0.08 . 1 . . . . . 409 PRO C . 25113 1 509 . 1 . 1 85 85 PRO CA C 13 61.47 0.08 . 1 . . . . . 409 PRO CA . 25113 1 510 . 1 . 1 85 85 PRO CB C 13 29.36 0.08 . 1 . . . . . 409 PRO CB . 25113 1 511 . 1 . 1 86 86 VAL H H 1 7.94 0.05 . 1 . . . . . 410 VAL H . 25113 1 512 . 1 . 1 86 86 VAL HA H 1 4.71 0.05 . 1 . . . . . 410 VAL HA . 25113 1 513 . 1 . 1 86 86 VAL HB H 1 1.98 0.05 . 1 . . . . . 410 VAL HB . 25113 1 514 . 1 . 1 86 86 VAL HG11 H 1 1.01 0.05 . . . . . . . 410 VAL HG1# . 25113 1 515 . 1 . 1 86 86 VAL HG12 H 1 1.01 0.05 . . . . . . . 410 VAL HG1# . 25113 1 516 . 1 . 1 86 86 VAL HG13 H 1 1.01 0.05 . . . . . . . 410 VAL HG1# . 25113 1 517 . 1 . 1 86 86 VAL C C 13 175.77 0.08 . 1 . . . . . 410 VAL C . 25113 1 518 . 1 . 1 86 86 VAL CA C 13 60.75 0.08 . 1 . . . . . 410 VAL CA . 25113 1 519 . 1 . 1 86 86 VAL CB C 13 32.80 0.08 . 1 . . . . . 410 VAL CB . 25113 1 520 . 1 . 1 86 86 VAL CG1 C 13 21.53 0.08 . 2 . . . . . 410 VAL CG1 . 25113 1 521 . 1 . 1 86 86 VAL N N 15 124.21 0.12 . 1 . . . . . 410 VAL N . 25113 1 522 . 1 . 1 87 87 GLU H H 1 9.13 0.05 . 1 . . . . . 411 GLU H . 25113 1 523 . 1 . 1 87 87 GLU HA H 1 4.67 0.05 . 1 . . . . . 411 GLU HA . 25113 1 524 . 1 . 1 87 87 GLU C C 13 175.12 0.08 . 1 . . . . . 411 GLU C . 25113 1 525 . 1 . 1 87 87 GLU CA C 13 53.37 0.08 . 1 . . . . . 411 GLU CA . 25113 1 526 . 1 . 1 87 87 GLU CB C 13 31.68 0.08 . 1 . . . . . 411 GLU CB . 25113 1 527 . 1 . 1 87 87 GLU N N 15 128.40 0.12 . 1 . . . . . 411 GLU N . 25113 1 528 . 1 . 1 88 88 LEU H H 1 8.90 0.05 . 1 . . . . . 412 LEU H . 25113 1 529 . 1 . 1 88 88 LEU HA H 1 4.73 0.05 . 1 . . . . . 412 LEU HA . 25113 1 530 . 1 . 1 88 88 LEU HB2 H 1 1.24 0.05 . 2 . . . . . 412 LEU HB2 . 25113 1 531 . 1 . 1 88 88 LEU HB3 H 1 1.24 0.05 . 2 . . . . . 412 LEU HB3 . 25113 1 532 . 1 . 1 88 88 LEU HD11 H 1 0.73 0.05 . . . . . . . 412 LEU HD1# . 25113 1 533 . 1 . 1 88 88 LEU HD12 H 1 0.73 0.05 . . . . . . . 412 LEU HD1# . 25113 1 534 . 1 . 1 88 88 LEU HD13 H 1 0.73 0.05 . . . . . . . 412 LEU HD1# . 25113 1 535 . 1 . 1 88 88 LEU HD21 H 1 0.80 0.05 . . . . . . . 412 LEU HD2# . 25113 1 536 . 1 . 1 88 88 LEU HD22 H 1 0.80 0.05 . . . . . . . 412 LEU HD2# . 25113 1 537 . 1 . 1 88 88 LEU HD23 H 1 0.80 0.05 . . . . . . . 412 LEU HD2# . 25113 1 538 . 1 . 1 88 88 LEU C C 13 176.07 0.08 . 1 . . . . . 412 LEU C . 25113 1 539 . 1 . 1 88 88 LEU CA C 13 53.47 0.08 . 1 . . . . . 412 LEU CA . 25113 1 540 . 1 . 1 88 88 LEU CB C 13 41.18 0.08 . 1 . . . . . 412 LEU CB . 25113 1 541 . 1 . 1 88 88 LEU CD1 C 13 26.68 0.08 . 2 . . . . . 412 LEU CD1 . 25113 1 542 . 1 . 1 88 88 LEU CD2 C 13 23.68 0.08 . 2 . . . . . 412 LEU CD2 . 25113 1 543 . 1 . 1 88 88 LEU N N 15 128.56 0.12 . 1 . . . . . 412 LEU N . 25113 1 544 . 1 . 1 89 89 VAL H H 1 8.61 0.05 . 1 . . . . . 413 VAL H . 25113 1 545 . 1 . 1 89 89 VAL HA H 1 4.50 0.05 . 1 . . . . . 413 VAL HA . 25113 1 546 . 1 . 1 89 89 VAL HB H 1 2.10 0.05 . 1 . . . . . 413 VAL HB . 25113 1 547 . 1 . 1 89 89 VAL HG11 H 1 0.61 0.05 . . . . . . . 413 VAL HG1# . 25113 1 548 . 1 . 1 89 89 VAL HG12 H 1 0.61 0.05 . . . . . . . 413 VAL HG1# . 25113 1 549 . 1 . 1 89 89 VAL HG13 H 1 0.61 0.05 . . . . . . . 413 VAL HG1# . 25113 1 550 . 1 . 1 89 89 VAL HG21 H 1 0.74 0.05 . . . . . . . 413 VAL HG2# . 25113 1 551 . 1 . 1 89 89 VAL HG22 H 1 0.74 0.05 . . . . . . . 413 VAL HG2# . 25113 1 552 . 1 . 1 89 89 VAL HG23 H 1 0.74 0.05 . . . . . . . 413 VAL HG2# . 25113 1 553 . 1 . 1 89 89 VAL C C 13 175.39 0.08 . 1 . . . . . 413 VAL C . 25113 1 554 . 1 . 1 89 89 VAL CA C 13 60.97 0.08 . 1 . . . . . 413 VAL CA . 25113 1 555 . 1 . 1 89 89 VAL CB C 13 31.13 0.08 . 1 . . . . . 413 VAL CB . 25113 1 556 . 1 . 1 89 89 VAL CG1 C 13 18.19 0.08 . 2 . . . . . 413 VAL CG1 . 25113 1 557 . 1 . 1 89 89 VAL CG2 C 13 20.33 0.08 . 2 . . . . . 413 VAL CG2 . 25113 1 558 . 1 . 1 89 89 VAL N N 15 120.50 0.12 . 1 . . . . . 413 VAL N . 25113 1 559 . 1 . 1 90 90 SER H H 1 7.08 0.05 . 1 . . . . . 414 SER H . 25113 1 560 . 1 . 1 90 90 SER HA H 1 4.96 0.05 . 1 . . . . . 414 SER HA . 25113 1 561 . 1 . 1 90 90 SER C C 13 172.24 0.08 . 1 . . . . . 414 SER C . 25113 1 562 . 1 . 1 90 90 SER CA C 13 57.83 0.08 . 1 . . . . . 414 SER CA . 25113 1 563 . 1 . 1 90 90 SER CB C 13 62.25 0.08 . 1 . . . . . 414 SER CB . 25113 1 564 . 1 . 1 90 90 SER N N 15 110.32 0.12 . 1 . . . . . 414 SER N . 25113 1 565 . 1 . 1 91 91 TYR H H 1 8.26 0.05 . 1 . . . . . 415 TYR H . 25113 1 566 . 1 . 1 91 91 TYR HA H 1 5.35 0.05 . 1 . . . . . 415 TYR HA . 25113 1 567 . 1 . 1 91 91 TYR C C 13 172.81 0.08 . 1 . . . . . 415 TYR C . 25113 1 568 . 1 . 1 91 91 TYR CA C 13 54.74 0.08 . 1 . . . . . 415 TYR CA . 25113 1 569 . 1 . 1 91 91 TYR CB C 13 40.58 0.08 . 1 . . . . . 415 TYR CB . 25113 1 570 . 1 . 1 91 91 TYR N N 15 127.59 0.12 . 1 . . . . . 415 TYR N . 25113 1 571 . 1 . 1 92 92 ASP H H 1 9.11 0.05 . 1 . . . . . 416 ASP H . 25113 1 572 . 1 . 1 92 92 ASP HA H 1 4.81 0.05 . 1 . . . . . 416 ASP HA . 25113 1 573 . 1 . 1 92 92 ASP C C 13 175.99 0.08 . 1 . . . . . 416 ASP C . 25113 1 574 . 1 . 1 92 92 ASP CA C 13 51.69 0.08 . 1 . . . . . 416 ASP CA . 25113 1 575 . 1 . 1 92 92 ASP CB C 13 40.52 0.08 . 1 . . . . . 416 ASP CB . 25113 1 576 . 1 . 1 92 92 ASP N N 15 129.24 0.12 . 1 . . . . . 416 ASP N . 25113 1 577 . 1 . 1 93 93 SER H H 1 8.60 0.05 . 1 . . . . . 417 SER H . 25113 1 578 . 1 . 1 93 93 SER C C 13 176.05 0.08 . 1 . . . . . 417 SER C . 25113 1 579 . 1 . 1 93 93 SER CA C 13 59.85 0.08 . 1 . . . . . 417 SER CA . 25113 1 580 . 1 . 1 93 93 SER CB C 13 62.20 0.08 . 1 . . . . . 417 SER CB . 25113 1 581 . 1 . 1 93 93 SER N N 15 122.77 0.12 . 1 . . . . . 417 SER N . 25113 1 582 . 1 . 1 94 94 ASP H H 1 8.30 0.05 . 1 . . . . . 418 ASP H . 25113 1 583 . 1 . 1 94 94 ASP C C 13 177.69 0.08 . 1 . . . . . 418 ASP C . 25113 1 584 . 1 . 1 94 94 ASP CA C 13 55.78 0.08 . 1 . . . . . 418 ASP CA . 25113 1 585 . 1 . 1 94 94 ASP CB C 13 40.99 0.08 . 1 . . . . . 418 ASP CB . 25113 1 586 . 1 . 1 94 94 ASP N N 15 123.51 0.12 . 1 . . . . . 418 ASP N . 25113 1 587 . 1 . 1 95 95 LYS H H 1 7.24 0.05 . 1 . . . . . 419 LYS H . 25113 1 588 . 1 . 1 95 95 LYS HA H 1 3.89 0.05 . 1 . . . . . 419 LYS HA . 25113 1 589 . 1 . 1 95 95 LYS C C 13 176.34 0.08 . 1 . . . . . 419 LYS C . 25113 1 590 . 1 . 1 95 95 LYS CA C 13 55.11 0.08 . 1 . . . . . 419 LYS CA . 25113 1 591 . 1 . 1 95 95 LYS CB C 13 30.96 0.08 . 1 . . . . . 419 LYS CB . 25113 1 592 . 1 . 1 95 95 LYS N N 15 115.37 0.12 . 1 . . . . . 419 LYS N . 25113 1 593 . 1 . 1 96 96 ASP H H 1 8.20 0.05 . 1 . . . . . 420 ASP H . 25113 1 594 . 1 . 1 96 96 ASP HA H 1 4.29 0.05 . 1 . . . . . 420 ASP HA . 25113 1 595 . 1 . 1 96 96 ASP C C 13 175.23 0.08 . 1 . . . . . 420 ASP C . 25113 1 596 . 1 . 1 96 96 ASP CA C 13 54.62 0.08 . 1 . . . . . 420 ASP CA . 25113 1 597 . 1 . 1 96 96 ASP CB C 13 38.23 0.08 . 1 . . . . . 420 ASP CB . 25113 1 598 . 1 . 1 96 96 ASP N N 15 119.81 0.12 . 1 . . . . . 420 ASP N . 25113 1 599 . 1 . 1 97 97 TYR H H 1 7.14 0.05 . 1 . . . . . 421 TYR H . 25113 1 600 . 1 . 1 97 97 TYR HA H 1 5.93 0.05 . 1 . . . . . 421 TYR HA . 25113 1 601 . 1 . 1 97 97 TYR C C 13 174.91 0.08 . 1 . . . . . 421 TYR C . 25113 1 602 . 1 . 1 97 97 TYR CA C 13 51.67 0.08 . 1 . . . . . 421 TYR CA . 25113 1 603 . 1 . 1 97 97 TYR CB C 13 38.82 0.08 . 1 . . . . . 421 TYR CB . 25113 1 604 . 1 . 1 97 97 TYR N N 15 116.46 0.12 . 1 . . . . . 421 TYR N . 25113 1 605 . 1 . 1 99 99 TYR H H 1 8.55 0.05 . 1 . . . . . 423 TYR H . 25113 1 606 . 1 . 1 99 99 TYR HA H 1 4.96 0.05 . 1 . . . . . 423 TYR HA . 25113 1 607 . 1 . 1 99 99 TYR C C 13 174.42 0.08 . 1 . . . . . 423 TYR C . 25113 1 608 . 1 . 1 99 99 TYR CA C 13 56.90 0.08 . 1 . . . . . 423 TYR CA . 25113 1 609 . 1 . 1 99 99 TYR CB C 13 38.08 0.08 . 1 . . . . . 423 TYR CB . 25113 1 610 . 1 . 1 99 99 TYR N N 15 119.01 0.12 . 1 . . . . . 423 TYR N . 25113 1 611 . 1 . 1 100 100 ILE H H 1 8.81 0.05 . 1 . . . . . 424 ILE H . 25113 1 612 . 1 . 1 100 100 ILE HA H 1 5.51 0.05 . 1 . . . . . 424 ILE HA . 25113 1 613 . 1 . 1 100 100 ILE HB H 1 1.51 0.05 . 1 . . . . . 424 ILE HB . 25113 1 614 . 1 . 1 100 100 ILE HG12 H 1 0.80 0.05 . 2 . . . . . 424 ILE HG12 . 25113 1 615 . 1 . 1 100 100 ILE HG13 H 1 1.46 0.05 . 2 . . . . . 424 ILE HG13 . 25113 1 616 . 1 . 1 100 100 ILE HD11 H 1 0.52 0.05 . . . . . . . 424 ILE HD1# . 25113 1 617 . 1 . 1 100 100 ILE HD12 H 1 0.52 0.05 . . . . . . . 424 ILE HD1# . 25113 1 618 . 1 . 1 100 100 ILE HD13 H 1 0.52 0.05 . . . . . . . 424 ILE HD1# . 25113 1 619 . 1 . 1 100 100 ILE CA C 13 56.89 0.08 . 1 . . . . . 424 ILE CA . 25113 1 620 . 1 . 1 100 100 ILE CB C 13 39.88 0.08 . 1 . . . . . 424 ILE CB . 25113 1 621 . 1 . 1 100 100 ILE CG1 C 13 24.40 0.08 . 1 . . . . . 424 ILE CG1 . 25113 1 622 . 1 . 1 100 100 ILE CG2 C 13 16.34 0.08 . 1 . . . . . 424 ILE CG2 . 25113 1 623 . 1 . 1 100 100 ILE CD1 C 13 13.96 0.08 . 1 . . . . . 424 ILE CD1 . 25113 1 624 . 1 . 1 100 100 ILE N N 15 119.61 0.12 . 1 . . . . . 424 ILE N . 25113 1 625 . 1 . 1 101 101 ARG H H 1 9.18 0.05 . 1 . . . . . 425 ARG H . 25113 1 626 . 1 . 1 101 101 ARG HA H 1 6.12 0.05 . 1 . . . . . 425 ARG HA . 25113 1 627 . 1 . 1 101 101 ARG C C 13 176.30 0.08 . 1 . . . . . 425 ARG C . 25113 1 628 . 1 . 1 101 101 ARG CA C 13 53.20 0.08 . 1 . . . . . 425 ARG CA . 25113 1 629 . 1 . 1 101 101 ARG CB C 13 34.05 0.08 . 1 . . . . . 425 ARG CB . 25113 1 630 . 1 . 1 101 101 ARG N N 15 119.33 0.12 . 1 . . . . . 425 ARG N . 25113 1 631 . 1 . 1 102 102 PHE H H 1 8.31 0.05 . 1 . . . . . 426 PHE H . 25113 1 632 . 1 . 1 102 102 PHE C C 13 171.22 0.08 . 1 . . . . . 426 PHE C . 25113 1 633 . 1 . 1 102 102 PHE CA C 13 52.79 0.08 . 1 . . . . . 426 PHE CA . 25113 1 634 . 1 . 1 102 102 PHE CB C 13 37.82 0.08 . 1 . . . . . 426 PHE CB . 25113 1 635 . 1 . 1 102 102 PHE N N 15 116.23 0.12 . 1 . . . . . 426 PHE N . 25113 1 636 . 1 . 1 103 103 PRO C C 13 175.82 0.08 . 1 . . . . . 427 PRO C . 25113 1 637 . 1 . 1 103 103 PRO CA C 13 61.44 0.08 . 1 . . . . . 427 PRO CA . 25113 1 638 . 1 . 1 103 103 PRO CB C 13 31.13 0.08 . 1 . . . . . 427 PRO CB . 25113 1 639 . 1 . 1 104 104 VAL H H 1 7.35 0.05 . 1 . . . . . 428 VAL H . 25113 1 640 . 1 . 1 104 104 VAL HA H 1 4.96 0.05 . 1 . . . . . 428 VAL HA . 25113 1 641 . 1 . 1 104 104 VAL HB H 1 2.27 0.05 . 1 . . . . . 428 VAL HB . 25113 1 642 . 1 . 1 104 104 VAL HG11 H 1 0.59 0.05 . . . . . . . 428 VAL HG1# . 25113 1 643 . 1 . 1 104 104 VAL HG12 H 1 0.59 0.05 . . . . . . . 428 VAL HG1# . 25113 1 644 . 1 . 1 104 104 VAL HG13 H 1 0.59 0.05 . . . . . . . 428 VAL HG1# . 25113 1 645 . 1 . 1 104 104 VAL HG21 H 1 1.01 0.05 . . . . . . . 428 VAL HG2# . 25113 1 646 . 1 . 1 104 104 VAL HG22 H 1 1.01 0.05 . . . . . . . 428 VAL HG2# . 25113 1 647 . 1 . 1 104 104 VAL HG23 H 1 1.01 0.05 . . . . . . . 428 VAL HG2# . 25113 1 648 . 1 . 1 104 104 VAL C C 13 175.66 0.08 . 1 . . . . . 428 VAL C . 25113 1 649 . 1 . 1 104 104 VAL CA C 13 57.74 0.08 . 1 . . . . . 428 VAL CA . 25113 1 650 . 1 . 1 104 104 VAL CB C 13 34.12 0.08 . 1 . . . . . 428 VAL CB . 25113 1 651 . 1 . 1 104 104 VAL CG1 C 13 18.10 0.08 . 2 . . . . . 428 VAL CG1 . 25113 1 652 . 1 . 1 104 104 VAL CG2 C 13 21.99 0.08 . 2 . . . . . 428 VAL CG2 . 25113 1 653 . 1 . 1 104 104 VAL N N 15 109.33 0.12 . 1 . . . . . 428 VAL N . 25113 1 654 . 1 . 1 105 105 SER H H 1 9.45 0.05 . 1 . . . . . 429 SER H . 25113 1 655 . 1 . 1 105 105 SER HA H 1 4.48 0.05 . 1 . . . . . 429 SER HA . 25113 1 656 . 1 . 1 105 105 SER C C 13 175.55 0.08 . 1 . . . . . 429 SER C . 25113 1 657 . 1 . 1 105 105 SER CA C 13 57.98 0.08 . 1 . . . . . 429 SER CA . 25113 1 658 . 1 . 1 105 105 SER CB C 13 62.30 0.08 . 1 . . . . . 429 SER CB . 25113 1 659 . 1 . 1 105 105 SER N N 15 118.25 0.12 . 1 . . . . . 429 SER N . 25113 1 660 . 1 . 1 106 106 ASN H H 1 8.76 0.05 . 1 . . . . . 430 ASN H . 25113 1 661 . 1 . 1 106 106 ASN C C 13 177.04 0.08 . 1 . . . . . 430 ASN C . 25113 1 662 . 1 . 1 106 106 ASN CA C 13 54.56 0.08 . 1 . . . . . 430 ASN CA . 25113 1 663 . 1 . 1 106 106 ASN CB C 13 38.18 0.08 . 1 . . . . . 430 ASN CB . 25113 1 664 . 1 . 1 106 106 ASN N N 15 122.21 0.12 . 1 . . . . . 430 ASN N . 25113 1 665 . 1 . 1 107 107 GLY H H 1 9.65 0.05 . 1 . . . . . 431 GLY H . 25113 1 666 . 1 . 1 107 107 GLY C C 13 174.21 0.08 . 1 . . . . . 431 GLY C . 25113 1 667 . 1 . 1 107 107 GLY CA C 13 44.00 0.08 . 1 . . . . . 431 GLY CA . 25113 1 668 . 1 . 1 107 107 GLY N N 15 115.27 0.12 . 1 . . . . . 431 GLY N . 25113 1 669 . 1 . 1 108 108 THR H H 1 7.89 0.05 . 1 . . . . . 432 THR H . 25113 1 670 . 1 . 1 108 108 THR HA H 1 3.93 0.05 . 1 . . . . . 432 THR HA . 25113 1 671 . 1 . 1 108 108 THR HB H 1 4.06 0.05 . 1 . . . . . 432 THR HB . 25113 1 672 . 1 . 1 108 108 THR HG21 H 1 1.07 0.05 . . . . . . . 432 THR HG2# . 25113 1 673 . 1 . 1 108 108 THR HG22 H 1 1.07 0.05 . . . . . . . 432 THR HG2# . 25113 1 674 . 1 . 1 108 108 THR HG23 H 1 1.07 0.05 . . . . . . . 432 THR HG2# . 25113 1 675 . 1 . 1 108 108 THR C C 13 173.36 0.08 . 1 . . . . . 432 THR C . 25113 1 676 . 1 . 1 108 108 THR CA C 13 65.06 0.08 . 1 . . . . . 432 THR CA . 25113 1 677 . 1 . 1 108 108 THR CB C 13 68.65 0.08 . 1 . . . . . 432 THR CB . 25113 1 678 . 1 . 1 108 108 THR CG2 C 13 19.71 0.08 . 1 . . . . . 432 THR CG2 . 25113 1 679 . 1 . 1 108 108 THR N N 15 120.88 0.12 . 1 . . . . . 432 THR N . 25113 1 680 . 1 . 1 109 109 ARG H H 1 9.27 0.05 . 1 . . . . . 433 ARG H . 25113 1 681 . 1 . 1 109 109 ARG HA H 1 4.72 0.05 . 1 . . . . . 433 ARG HA . 25113 1 682 . 1 . 1 109 109 ARG CA C 13 55.23 0.08 . 1 . . . . . 433 ARG CA . 25113 1 683 . 1 . 1 109 109 ARG CB C 13 31.78 0.08 . 1 . . . . . 433 ARG CB . 25113 1 684 . 1 . 1 109 109 ARG N N 15 126.12 0.12 . 1 . . . . . 433 ARG N . 25113 1 685 . 1 . 1 110 110 GLU H H 1 7.86 0.05 . 1 . . . . . 434 GLU H . 25113 1 686 . 1 . 1 110 110 GLU HA H 1 5.67 0.05 . 1 . . . . . 434 GLU HA . 25113 1 687 . 1 . 1 110 110 GLU CA C 13 53.37 0.08 . 1 . . . . . 434 GLU CA . 25113 1 688 . 1 . 1 110 110 GLU CB C 13 31.15 0.08 . 1 . . . . . 434 GLU CB . 25113 1 689 . 1 . 1 110 110 GLU N N 15 116.70 0.12 . 1 . . . . . 434 GLU N . 25113 1 690 . 1 . 1 111 111 VAL H H 1 8.62 0.05 . 1 . . . . . 435 VAL H . 25113 1 691 . 1 . 1 111 111 VAL HA H 1 4.91 0.05 . 1 . . . . . 435 VAL HA . 25113 1 692 . 1 . 1 111 111 VAL HB H 1 2.30 0.05 . 1 . . . . . 435 VAL HB . 25113 1 693 . 1 . 1 111 111 VAL HG11 H 1 0.75 0.05 . . . . . . . 435 VAL HG1# . 25113 1 694 . 1 . 1 111 111 VAL HG12 H 1 0.75 0.05 . . . . . . . 435 VAL HG1# . 25113 1 695 . 1 . 1 111 111 VAL HG13 H 1 0.75 0.05 . . . . . . . 435 VAL HG1# . 25113 1 696 . 1 . 1 111 111 VAL HG21 H 1 1.09 0.05 . . . . . . . 435 VAL HG2# . 25113 1 697 . 1 . 1 111 111 VAL HG22 H 1 1.09 0.05 . . . . . . . 435 VAL HG2# . 25113 1 698 . 1 . 1 111 111 VAL HG23 H 1 1.09 0.05 . . . . . . . 435 VAL HG2# . 25113 1 699 . 1 . 1 111 111 VAL C C 13 173.19 0.08 . 1 . . . . . 435 VAL C . 25113 1 700 . 1 . 1 111 111 VAL CA C 13 58.71 0.08 . 1 . . . . . 435 VAL CA . 25113 1 701 . 1 . 1 111 111 VAL CB C 13 34.07 0.08 . 1 . . . . . 435 VAL CB . 25113 1 702 . 1 . 1 111 111 VAL CG1 C 13 17.44 0.08 . 2 . . . . . 435 VAL CG1 . 25113 1 703 . 1 . 1 111 111 VAL CG2 C 13 20.95 0.08 . 2 . . . . . 435 VAL CG2 . 25113 1 704 . 1 . 1 111 111 VAL N N 15 113.04 0.12 . 1 . . . . . 435 VAL N . 25113 1 705 . 1 . 1 112 112 LYS H H 1 8.88 0.05 . 1 . . . . . 436 LYS H . 25113 1 706 . 1 . 1 112 112 LYS HA H 1 4.77 0.05 . 1 . . . . . 436 LYS HA . 25113 1 707 . 1 . 1 112 112 LYS C C 13 174.50 0.08 . 1 . . . . . 436 LYS C . 25113 1 708 . 1 . 1 112 112 LYS CA C 13 53.90 0.08 . 1 . . . . . 436 LYS CA . 25113 1 709 . 1 . 1 112 112 LYS CB C 13 33.51 0.08 . 1 . . . . . 436 LYS CB . 25113 1 710 . 1 . 1 112 112 LYS N N 15 123.61 0.12 . 1 . . . . . 436 LYS N . 25113 1 711 . 1 . 1 113 113 ILE H H 1 9.27 0.05 . 1 . . . . . 437 ILE H . 25113 1 712 . 1 . 1 113 113 ILE HA H 1 5.06 0.05 . 1 . . . . . 437 ILE HA . 25113 1 713 . 1 . 1 113 113 ILE CA C 13 58.15 0.08 . 1 . . . . . 437 ILE CA . 25113 1 714 . 1 . 1 113 113 ILE CB C 13 38.65 0.08 . 1 . . . . . 437 ILE CB . 25113 1 715 . 1 . 1 113 113 ILE N N 15 126.16 0.12 . 1 . . . . . 437 ILE N . 25113 1 716 . 1 . 1 114 114 VAL H H 1 9.07 0.05 . 1 . . . . . 438 VAL H . 25113 1 717 . 1 . 1 114 114 VAL C C 13 174.71 0.08 . 1 . . . . . 438 VAL C . 25113 1 718 . 1 . 1 114 114 VAL N N 15 133.17 0.12 . 1 . . . . . 438 VAL N . 25113 1 719 . 1 . 1 117 117 ILE HD11 H 1 0.06 0.05 . . . . . . . 441 ILE HD1# . 25113 1 720 . 1 . 1 117 117 ILE HD12 H 1 0.06 0.05 . . . . . . . 441 ILE HD1# . 25113 1 721 . 1 . 1 117 117 ILE HD13 H 1 0.06 0.05 . . . . . . . 441 ILE HD1# . 25113 1 722 . 1 . 1 117 117 ILE CD1 C 13 11.96 0.08 . 1 . . . . . 441 ILE CD1 . 25113 1 723 . 1 . 1 118 118 GLU H H 1 8.82 0.05 . 1 . . . . . 442 GLU H . 25113 1 724 . 1 . 1 118 118 GLU C C 13 174.46 0.08 . 1 . . . . . 442 GLU C . 25113 1 725 . 1 . 1 118 118 GLU CA C 13 55.10 0.08 . 1 . . . . . 442 GLU CA . 25113 1 726 . 1 . 1 118 118 GLU CB C 13 31.45 0.08 . 1 . . . . . 442 GLU CB . 25113 1 727 . 1 . 1 118 118 GLU N N 15 123.82 0.12 . 1 . . . . . 442 GLU N . 25113 1 728 . 1 . 1 119 119 TYR H H 1 8.41 0.05 . 1 . . . . . 443 TYR H . 25113 1 729 . 1 . 1 119 119 TYR CA C 13 56.07 0.08 . 1 . . . . . 443 TYR CA . 25113 1 730 . 1 . 1 119 119 TYR CB C 13 38.52 0.08 . 1 . . . . . 443 TYR CB . 25113 1 731 . 1 . 1 119 119 TYR N N 15 123.40 0.12 . 1 . . . . . 443 TYR N . 25113 1 732 . 1 . 1 120 120 GLY H H 1 8.41 0.05 . 1 . . . . . 444 GLY H . 25113 1 733 . 1 . 1 120 120 GLY HA2 H 1 3.78 0.05 . 2 . . . . . 444 GLY HA2 . 25113 1 734 . 1 . 1 120 120 GLY HA3 H 1 3.78 0.05 . 2 . . . . . 444 GLY HA3 . 25113 1 735 . 1 . 1 120 120 GLY C C 13 174.42 0.08 . 1 . . . . . 444 GLY C . 25113 1 736 . 1 . 1 120 120 GLY CA C 13 44.86 0.08 . 1 . . . . . 444 GLY CA . 25113 1 737 . 1 . 1 120 120 GLY N N 15 108.75 0.12 . 1 . . . . . 444 GLY N . 25113 1 738 . 1 . 1 121 121 GLU H H 1 8.47 0.05 . 1 . . . . . 445 GLU H . 25113 1 739 . 1 . 1 121 121 GLU HA H 1 4.17 0.05 . 1 . . . . . 445 GLU HA . 25113 1 740 . 1 . 1 121 121 GLU C C 13 176.35 0.08 . 1 . . . . . 445 GLU C . 25113 1 741 . 1 . 1 121 121 GLU CA C 13 55.75 0.08 . 1 . . . . . 445 GLU CA . 25113 1 742 . 1 . 1 121 121 GLU CB C 13 27.56 0.08 . 1 . . . . . 445 GLU CB . 25113 1 743 . 1 . 1 121 121 GLU N N 15 122.68 0.12 . 1 . . . . . 445 GLU N . 25113 1 744 . 1 . 1 122 122 ASN H H 1 8.24 0.05 . 1 . . . . . 446 ASN H . 25113 1 745 . 1 . 1 122 122 ASN HA H 1 4.38 0.05 . 1 . . . . . 446 ASN HA . 25113 1 746 . 1 . 1 122 122 ASN C C 13 174.40 0.08 . 1 . . . . . 446 ASN C . 25113 1 747 . 1 . 1 122 122 ASN CA C 13 53.39 0.08 . 1 . . . . . 446 ASN CA . 25113 1 748 . 1 . 1 122 122 ASN CB C 13 37.62 0.08 . 1 . . . . . 446 ASN CB . 25113 1 749 . 1 . 1 122 122 ASN N N 15 116.52 0.12 . 1 . . . . . 446 ASN N . 25113 1 750 . 1 . 1 123 123 ILE H H 1 7.74 0.05 . 1 . . . . . 447 ILE H . 25113 1 751 . 1 . 1 123 123 ILE HA H 1 4.04 0.05 . 1 . . . . . 447 ILE HA . 25113 1 752 . 1 . 1 123 123 ILE HB H 1 1.37 0.05 . 1 . . . . . 447 ILE HB . 25113 1 753 . 1 . 1 123 123 ILE HG12 H 1 0.92 0.05 . 2 . . . . . 447 ILE HG12 . 25113 1 754 . 1 . 1 123 123 ILE HG13 H 1 1.25 0.05 . 2 . . . . . 447 ILE HG13 . 25113 1 755 . 1 . 1 123 123 ILE HG21 H 1 0.58 0.05 . . . . . . . 447 ILE HG2# . 25113 1 756 . 1 . 1 123 123 ILE HG22 H 1 0.58 0.05 . . . . . . . 447 ILE HG2# . 25113 1 757 . 1 . 1 123 123 ILE HG23 H 1 0.58 0.05 . . . . . . . 447 ILE HG2# . 25113 1 758 . 1 . 1 123 123 ILE HD11 H 1 0.68 0.05 . . . . . . . 447 ILE HD1# . 25113 1 759 . 1 . 1 123 123 ILE HD12 H 1 0.68 0.05 . . . . . . . 447 ILE HD1# . 25113 1 760 . 1 . 1 123 123 ILE HD13 H 1 0.68 0.05 . . . . . . . 447 ILE HD1# . 25113 1 761 . 1 . 1 123 123 ILE C C 13 174.97 0.08 . 1 . . . . . 447 ILE C . 25113 1 762 . 1 . 1 123 123 ILE CA C 13 60.41 0.08 . 1 . . . . . 447 ILE CA . 25113 1 763 . 1 . 1 123 123 ILE CB C 13 35.82 0.08 . 1 . . . . . 447 ILE CB . 25113 1 764 . 1 . 1 123 123 ILE CG1 C 13 25.47 0.08 . 1 . . . . . 447 ILE CG1 . 25113 1 765 . 1 . 1 123 123 ILE CG2 C 13 16.19 0.08 . 1 . . . . . 447 ILE CG2 . 25113 1 766 . 1 . 1 123 123 ILE CD1 C 13 11.24 0.08 . 1 . . . . . 447 ILE CD1 . 25113 1 767 . 1 . 1 123 123 ILE N N 15 120.54 0.12 . 1 . . . . . 447 ILE N . 25113 1 768 . 1 . 1 124 124 HIS H H 1 8.37 0.05 . 1 . . . . . 448 HIS H . 25113 1 769 . 1 . 1 124 124 HIS HA H 1 5.12 0.05 . 1 . . . . . 448 HIS HA . 25113 1 770 . 1 . 1 124 124 HIS C C 13 173.80 0.08 . 1 . . . . . 448 HIS C . 25113 1 771 . 1 . 1 124 124 HIS CA C 13 53.87 0.08 . 1 . . . . . 448 HIS CA . 25113 1 772 . 1 . 1 124 124 HIS CB C 13 29.41 0.08 . 1 . . . . . 448 HIS CB . 25113 1 773 . 1 . 1 124 124 HIS N N 15 124.92 0.12 . 1 . . . . . 448 HIS N . 25113 1 774 . 1 . 1 125 125 GLU H H 1 8.40 0.05 . 1 . . . . . 449 GLU H . 25113 1 775 . 1 . 1 125 125 GLU HA H 1 4.43 0.05 . 1 . . . . . 449 GLU HA . 25113 1 776 . 1 . 1 125 125 GLU C C 13 174.05 0.08 . 1 . . . . . 449 GLU C . 25113 1 777 . 1 . 1 125 125 GLU CA C 13 54.54 0.08 . 1 . . . . . 449 GLU CA . 25113 1 778 . 1 . 1 125 125 GLU CB C 13 31.20 0.08 . 1 . . . . . 449 GLU CB . 25113 1 779 . 1 . 1 125 125 GLU N N 15 125.14 0.12 . 1 . . . . . 449 GLU N . 25113 1 780 . 1 . 1 126 126 ASP H H 1 8.54 0.05 . 1 . . . . . 450 ASP H . 25113 1 781 . 1 . 1 126 126 ASP HA H 1 4.76 0.05 . 1 . . . . . 450 ASP HA . 25113 1 782 . 1 . 1 126 126 ASP C C 13 174.84 0.08 . 1 . . . . . 450 ASP C . 25113 1 783 . 1 . 1 126 126 ASP CA C 13 53.48 0.08 . 1 . . . . . 450 ASP CA . 25113 1 784 . 1 . 1 126 126 ASP CB C 13 41.96 0.08 . 1 . . . . . 450 ASP CB . 25113 1 785 . 1 . 1 126 126 ASP N N 15 123.55 0.12 . 1 . . . . . 450 ASP N . 25113 1 786 . 1 . 1 131 131 LEU HD11 H 1 0.73 0.05 . . . . . . . 455 LEU HD1# . 25113 1 787 . 1 . 1 131 131 LEU HD12 H 1 0.73 0.05 . . . . . . . 455 LEU HD1# . 25113 1 788 . 1 . 1 131 131 LEU HD13 H 1 0.73 0.05 . . . . . . . 455 LEU HD1# . 25113 1 789 . 1 . 1 131 131 LEU HD21 H 1 0.39 0.05 . . . . . . . 455 LEU HD2# . 25113 1 790 . 1 . 1 131 131 LEU HD22 H 1 0.39 0.05 . . . . . . . 455 LEU HD2# . 25113 1 791 . 1 . 1 131 131 LEU HD23 H 1 0.39 0.05 . . . . . . . 455 LEU HD2# . 25113 1 792 . 1 . 1 131 131 LEU CD1 C 13 22.40 0.08 . 2 . . . . . 455 LEU CD1 . 25113 1 793 . 1 . 1 131 131 LEU CD2 C 13 24.20 0.08 . 2 . . . . . 455 LEU CD2 . 25113 1 794 . 1 . 1 132 132 MET H H 1 9.18 0.05 . 1 . . . . . 456 MET H . 25113 1 795 . 1 . 1 132 132 MET C C 13 173.57 0.08 . 1 . . . . . 456 MET C . 25113 1 796 . 1 . 1 132 132 MET CA C 13 53.97 0.08 . 1 . . . . . 456 MET CA . 25113 1 797 . 1 . 1 132 132 MET CB C 13 31.76 0.08 . 1 . . . . . 456 MET CB . 25113 1 798 . 1 . 1 132 132 MET N N 15 129.83 0.12 . 1 . . . . . 456 MET N . 25113 1 799 . 1 . 1 133 133 VAL H H 1 8.90 0.05 . 1 . . . . . 457 VAL H . 25113 1 800 . 1 . 1 133 133 VAL HA H 1 4.51 0.05 . 1 . . . . . 457 VAL HA . 25113 1 801 . 1 . 1 133 133 VAL HB H 1 2.01 0.05 . 1 . . . . . 457 VAL HB . 25113 1 802 . 1 . 1 133 133 VAL HG11 H 1 1.02 0.05 . . . . . . . 457 VAL HG1# . 25113 1 803 . 1 . 1 133 133 VAL HG12 H 1 1.02 0.05 . . . . . . . 457 VAL HG1# . 25113 1 804 . 1 . 1 133 133 VAL HG13 H 1 1.02 0.05 . . . . . . . 457 VAL HG1# . 25113 1 805 . 1 . 1 133 133 VAL HG21 H 1 0.91 0.05 . . . . . . . 457 VAL HG2# . 25113 1 806 . 1 . 1 133 133 VAL HG22 H 1 0.91 0.05 . . . . . . . 457 VAL HG2# . 25113 1 807 . 1 . 1 133 133 VAL HG23 H 1 0.91 0.05 . . . . . . . 457 VAL HG2# . 25113 1 808 . 1 . 1 133 133 VAL C C 13 177.68 0.08 . 1 . . . . . 457 VAL C . 25113 1 809 . 1 . 1 133 133 VAL CA C 13 60.38 0.08 . 1 . . . . . 457 VAL CA . 25113 1 810 . 1 . 1 133 133 VAL CB C 13 31.77 0.08 . 1 . . . . . 457 VAL CB . 25113 1 811 . 1 . 1 133 133 VAL CG1 C 13 19.87 0.08 . 2 . . . . . 457 VAL CG1 . 25113 1 812 . 1 . 1 133 133 VAL CG2 C 13 19.20 0.08 . 2 . . . . . 457 VAL CG2 . 25113 1 813 . 1 . 1 133 133 VAL N N 15 126.31 0.12 . 1 . . . . . 457 VAL N . 25113 1 814 . 1 . 1 134 134 PHE H H 1 8.80 0.05 . 1 . . . . . 458 PHE H . 25113 1 815 . 1 . 1 134 134 PHE HA H 1 4.94 0.05 . 1 . . . . . 458 PHE HA . 25113 1 816 . 1 . 1 134 134 PHE C C 13 176.86 0.08 . 1 . . . . . 458 PHE C . 25113 1 817 . 1 . 1 134 134 PHE CA C 13 58.65 0.08 . 1 . . . . . 458 PHE CA . 25113 1 818 . 1 . 1 134 134 PHE CB C 13 39.93 0.08 . 1 . . . . . 458 PHE CB . 25113 1 819 . 1 . 1 134 134 PHE N N 15 129.11 0.12 . 1 . . . . . 458 PHE N . 25113 1 820 . 1 . 1 135 135 ALA H H 1 8.64 0.05 . 1 . . . . . 459 ALA H . 25113 1 821 . 1 . 1 135 135 ALA HA H 1 4.16 0.05 . 1 . . . . . 459 ALA HA . 25113 1 822 . 1 . 1 135 135 ALA HB1 H 1 1.64 0.05 . . . . . . . 459 ALA HB# . 25113 1 823 . 1 . 1 135 135 ALA HB2 H 1 1.64 0.05 . . . . . . . 459 ALA HB# . 25113 1 824 . 1 . 1 135 135 ALA HB3 H 1 1.64 0.05 . . . . . . . 459 ALA HB# . 25113 1 825 . 1 . 1 135 135 ALA C C 13 176.69 0.08 . 1 . . . . . 459 ALA C . 25113 1 826 . 1 . 1 135 135 ALA CA C 13 53.36 0.08 . 1 . . . . . 459 ALA CA . 25113 1 827 . 1 . 1 135 135 ALA CB C 13 18.92 0.08 . 1 . . . . . 459 ALA CB . 25113 1 828 . 1 . 1 135 135 ALA N N 15 122.48 0.12 . 1 . . . . . 459 ALA N . 25113 1 829 . 1 . 1 136 136 GLN H H 1 7.85 0.05 . 1 . . . . . 460 GLN H . 25113 1 830 . 1 . 1 136 136 GLN HA H 1 4.68 0.05 . 1 . . . . . 460 GLN HA . 25113 1 831 . 1 . 1 136 136 GLN C C 13 170.26 0.08 . 1 . . . . . 460 GLN C . 25113 1 832 . 1 . 1 136 136 GLN CA C 13 51.66 0.08 . 1 . . . . . 460 GLN CA . 25113 1 833 . 1 . 1 136 136 GLN CB C 13 29.10 0.08 . 1 . . . . . 460 GLN CB . 25113 1 834 . 1 . 1 136 136 GLN N N 15 112.14 0.12 . 1 . . . . . 460 GLN N . 25113 1 835 . 1 . 1 137 137 PRO C C 13 176.27 0.08 . 1 . . . . . 461 PRO C . 25113 1 836 . 1 . 1 137 137 PRO CA C 13 61.57 0.08 . 1 . . . . . 461 PRO CA . 25113 1 837 . 1 . 1 137 137 PRO CB C 13 30.02 0.08 . 1 . . . . . 461 PRO CB . 25113 1 838 . 1 . 1 138 138 ILE H H 1 8.80 0.05 . 1 . . . . . 462 ILE H . 25113 1 839 . 1 . 1 138 138 ILE HA H 1 4.26 0.05 . 1 . . . . . 462 ILE HA . 25113 1 840 . 1 . 1 138 138 ILE HB H 1 1.98 0.05 . 1 . . . . . 462 ILE HB . 25113 1 841 . 1 . 1 138 138 ILE HG12 H 1 1.36 0.05 . 2 . . . . . 462 ILE HG12 . 25113 1 842 . 1 . 1 138 138 ILE HG13 H 1 1.36 0.05 . 2 . . . . . 462 ILE HG13 . 25113 1 843 . 1 . 1 138 138 ILE HG21 H 1 0.60 0.05 . . . . . . . 462 ILE HG2# . 25113 1 844 . 1 . 1 138 138 ILE HG22 H 1 0.60 0.05 . . . . . . . 462 ILE HG2# . 25113 1 845 . 1 . 1 138 138 ILE HG23 H 1 0.60 0.05 . . . . . . . 462 ILE HG2# . 25113 1 846 . 1 . 1 138 138 ILE HD11 H 1 0.22 0.05 . . . . . . . 462 ILE HD1# . 25113 1 847 . 1 . 1 138 138 ILE HD12 H 1 0.22 0.05 . . . . . . . 462 ILE HD1# . 25113 1 848 . 1 . 1 138 138 ILE HD13 H 1 0.22 0.05 . . . . . . . 462 ILE HD1# . 25113 1 849 . 1 . 1 138 138 ILE C C 13 176.27 0.08 . 1 . . . . . 462 ILE C . 25113 1 850 . 1 . 1 138 138 ILE CA C 13 58.26 0.08 . 1 . . . . . 462 ILE CA . 25113 1 851 . 1 . 1 138 138 ILE CB C 13 33.56 0.08 . 1 . . . . . 462 ILE CB . 25113 1 852 . 1 . 1 138 138 ILE CG1 C 13 24.97 0.08 . 1 . . . . . 462 ILE CG1 . 25113 1 853 . 1 . 1 138 138 ILE CG2 C 13 16.69 0.08 . 1 . . . . . 462 ILE CG2 . 25113 1 854 . 1 . 1 138 138 ILE CD1 C 13 8.21 0.08 . 1 . . . . . 462 ILE CD1 . 25113 1 855 . 1 . 1 138 138 ILE N N 15 124.23 0.12 . 1 . . . . . 462 ILE N . 25113 1 856 . 1 . 1 139 139 THR H H 1 7.80 0.05 . 1 . . . . . 463 THR H . 25113 1 857 . 1 . 1 139 139 THR HA H 1 4.62 0.05 . 1 . . . . . 463 THR HA . 25113 1 858 . 1 . 1 139 139 THR HB H 1 4.15 0.05 . 1 . . . . . 463 THR HB . 25113 1 859 . 1 . 1 139 139 THR HG21 H 1 1.10 0.05 . . . . . . . 463 THR HG2# . 25113 1 860 . 1 . 1 139 139 THR HG22 H 1 1.10 0.05 . . . . . . . 463 THR HG2# . 25113 1 861 . 1 . 1 139 139 THR HG23 H 1 1.10 0.05 . . . . . . . 463 THR HG2# . 25113 1 862 . 1 . 1 139 139 THR C C 13 175.81 0.08 . 1 . . . . . 463 THR C . 25113 1 863 . 1 . 1 139 139 THR CA C 13 58.63 0.08 . 1 . . . . . 463 THR CA . 25113 1 864 . 1 . 1 139 139 THR CB C 13 70.33 0.08 . 1 . . . . . 463 THR CB . 25113 1 865 . 1 . 1 139 139 THR CG2 C 13 19.52 0.08 . 1 . . . . . 463 THR CG2 . 25113 1 866 . 1 . 1 139 139 THR N N 15 117.29 0.12 . 1 . . . . . 463 THR N . 25113 1 867 . 1 . 1 140 140 ASN H H 1 8.50 0.05 . 1 . . . . . 464 ASN H . 25113 1 868 . 1 . 1 140 140 ASN HA H 1 5.47 0.05 . 1 . . . . . 464 ASN HA . 25113 1 869 . 1 . 1 140 140 ASN HB2 H 1 2.39 0.05 . 2 . . . . . 464 ASN HB2 . 25113 1 870 . 1 . 1 140 140 ASN HB3 H 1 3.00 0.05 . 2 . . . . . 464 ASN HB3 . 25113 1 871 . 1 . 1 140 140 ASN C C 13 173.88 0.08 . 1 . . . . . 464 ASN C . 25113 1 872 . 1 . 1 140 140 ASN CA C 13 51.01 0.08 . 1 . . . . . 464 ASN CA . 25113 1 873 . 1 . 1 140 140 ASN CB C 13 38.84 0.08 . 1 . . . . . 464 ASN CB . 25113 1 874 . 1 . 1 140 140 ASN N N 15 120.33 0.12 . 1 . . . . . 464 ASN N . 25113 1 875 . 1 . 1 141 141 ASN H H 1 6.97 0.05 . 1 . . . . . 465 ASN H . 25113 1 876 . 1 . 1 141 141 ASN HA H 1 4.93 0.05 . 1 . . . . . 465 ASN HA . 25113 1 877 . 1 . 1 141 141 ASN HB2 H 1 2.55 0.05 . 2 . . . . . 465 ASN HB2 . 25113 1 878 . 1 . 1 141 141 ASN HB3 H 1 3.10 0.05 . 2 . . . . . 465 ASN HB3 . 25113 1 879 . 1 . 1 141 141 ASN C C 13 173.43 0.08 . 1 . . . . . 465 ASN C . 25113 1 880 . 1 . 1 141 141 ASN CA C 13 48.15 0.08 . 1 . . . . . 465 ASN CA . 25113 1 881 . 1 . 1 141 141 ASN CB C 13 38.77 0.08 . 1 . . . . . 465 ASN CB . 25113 1 882 . 1 . 1 141 141 ASN N N 15 116.52 0.12 . 1 . . . . . 465 ASN N . 25113 1 883 . 1 . 1 142 142 PRO C C 13 177.21 0.08 . 1 . . . . . 466 PRO C . 25113 1 884 . 1 . 1 142 142 PRO CA C 13 63.53 0.08 . 1 . . . . . 466 PRO CA . 25113 1 885 . 1 . 1 142 142 PRO CB C 13 29.73 0.08 . 1 . . . . . 466 PRO CB . 25113 1 886 . 1 . 1 143 143 ASP H H 1 7.54 0.05 . 1 . . . . . 467 ASP H . 25113 1 887 . 1 . 1 143 143 ASP HA H 1 4.96 0.05 . 1 . . . . . 467 ASP HA . 25113 1 888 . 1 . 1 143 143 ASP HB2 H 1 2.43 0.05 . 2 . . . . . 467 ASP HB2 . 25113 1 889 . 1 . 1 143 143 ASP HB3 H 1 2.75 0.05 . 2 . . . . . 467 ASP HB3 . 25113 1 890 . 1 . 1 143 143 ASP C C 13 176.82 0.08 . 1 . . . . . 467 ASP C . 25113 1 891 . 1 . 1 143 143 ASP CA C 13 55.03 0.08 . 1 . . . . . 467 ASP CA . 25113 1 892 . 1 . 1 143 143 ASP CB C 13 38.85 0.08 . 1 . . . . . 467 ASP CB . 25113 1 893 . 1 . 1 143 143 ASP N N 15 113.66 0.12 . 1 . . . . . 467 ASP N . 25113 1 894 . 1 . 1 144 144 ASP H H 1 7.89 0.05 . 1 . . . . . 468 ASP H . 25113 1 895 . 1 . 1 144 144 ASP HA H 1 4.44 0.05 . 1 . . . . . 468 ASP HA . 25113 1 896 . 1 . 1 144 144 ASP HB2 H 1 2.39 0.05 . 2 . . . . . 468 ASP HB2 . 25113 1 897 . 1 . 1 144 144 ASP HB3 H 1 2.39 0.05 . 2 . . . . . 468 ASP HB3 . 25113 1 898 . 1 . 1 144 144 ASP C C 13 174.99 0.08 . 1 . . . . . 468 ASP C . 25113 1 899 . 1 . 1 144 144 ASP CA C 13 54.60 0.08 . 1 . . . . . 468 ASP CA . 25113 1 900 . 1 . 1 144 144 ASP CB C 13 38.79 0.08 . 1 . . . . . 468 ASP CB . 25113 1 901 . 1 . 1 144 144 ASP N N 15 118.58 0.12 . 1 . . . . . 468 ASP N . 25113 1 902 . 1 . 1 145 145 TYR H H 1 7.72 0.05 . 1 . . . . . 469 TYR H . 25113 1 903 . 1 . 1 145 145 TYR HA H 1 4.47 0.05 . 1 . . . . . 469 TYR HA . 25113 1 904 . 1 . 1 145 145 TYR HB2 H 1 2.68 0.05 . 2 . . . . . 469 TYR HB2 . 25113 1 905 . 1 . 1 145 145 TYR HB3 H 1 2.68 0.05 . 2 . . . . . 469 TYR HB3 . 25113 1 906 . 1 . 1 145 145 TYR C C 13 176.23 0.08 . 1 . . . . . 469 TYR C . 25113 1 907 . 1 . 1 145 145 TYR CA C 13 55.74 0.08 . 1 . . . . . 469 TYR CA . 25113 1 908 . 1 . 1 145 145 TYR CB C 13 39.41 0.08 . 1 . . . . . 469 TYR CB . 25113 1 909 . 1 . 1 145 145 TYR N N 15 120.38 0.12 . 1 . . . . . 469 TYR N . 25113 1 910 . 1 . 1 146 146 VAL H H 1 8.17 0.05 . 1 . . . . . 470 VAL H . 25113 1 911 . 1 . 1 146 146 VAL HA H 1 4.39 0.05 . 1 . . . . . 470 VAL HA . 25113 1 912 . 1 . 1 146 146 VAL HB H 1 2.18 0.05 . 1 . . . . . 470 VAL HB . 25113 1 913 . 1 . 1 146 146 VAL HG11 H 1 1.12 0.05 . . . . . . . 470 VAL HG1# . 25113 1 914 . 1 . 1 146 146 VAL HG12 H 1 1.12 0.05 . . . . . . . 470 VAL HG1# . 25113 1 915 . 1 . 1 146 146 VAL HG13 H 1 1.12 0.05 . . . . . . . 470 VAL HG1# . 25113 1 916 . 1 . 1 146 146 VAL HG21 H 1 1.12 0.05 . . . . . . . 470 VAL HG2# . 25113 1 917 . 1 . 1 146 146 VAL HG22 H 1 1.12 0.05 . . . . . . . 470 VAL HG2# . 25113 1 918 . 1 . 1 146 146 VAL HG23 H 1 1.12 0.05 . . . . . . . 470 VAL HG2# . 25113 1 919 . 1 . 1 146 146 VAL C C 13 175.68 0.08 . 1 . . . . . 470 VAL C . 25113 1 920 . 1 . 1 146 146 VAL CA C 13 61.02 0.08 . 1 . . . . . 470 VAL CA . 25113 1 921 . 1 . 1 146 146 VAL CB C 13 31.21 0.08 . 1 . . . . . 470 VAL CB . 25113 1 922 . 1 . 1 146 146 VAL CG1 C 13 18.80 0.08 . 2 . . . . . 470 VAL CG1 . 25113 1 923 . 1 . 1 146 146 VAL CG2 C 13 20.61 0.08 . 2 . . . . . 470 VAL CG2 . 25113 1 924 . 1 . 1 146 146 VAL N N 15 119.32 0.12 . 1 . . . . . 470 VAL N . 25113 1 925 . 1 . 1 147 147 ASP H H 1 8.12 0.05 . 1 . . . . . 471 ASP H . 25113 1 926 . 1 . 1 147 147 ASP HA H 1 4.42 0.05 . 1 . . . . . 471 ASP HA . 25113 1 927 . 1 . 1 147 147 ASP C C 13 175.26 0.08 . 1 . . . . . 471 ASP C . 25113 1 928 . 1 . 1 147 147 ASP CA C 13 52.25 0.08 . 1 . . . . . 471 ASP CA . 25113 1 929 . 1 . 1 147 147 ASP CB C 13 40.10 0.08 . 1 . . . . . 471 ASP CB . 25113 1 930 . 1 . 1 147 147 ASP N N 15 121.24 0.12 . 1 . . . . . 471 ASP N . 25113 1 931 . 1 . 1 148 148 GLU H H 1 8.70 0.05 . 1 . . . . . 472 GLU H . 25113 1 932 . 1 . 1 148 148 GLU HA H 1 3.88 0.05 . 1 . . . . . 472 GLU HA . 25113 1 933 . 1 . 1 148 148 GLU HB2 H 1 2.01 0.05 . . . . . . . 472 GLU HB2 . 25113 1 934 . 1 . 1 148 148 GLU HB3 H 1 2.01 0.05 . . . . . . . 472 GLU HB3 . 25113 1 935 . 1 . 1 148 148 GLU HG2 H 1 2.33 0.05 . 2 . . . . . 472 GLU HG2 . 25113 1 936 . 1 . 1 148 148 GLU C C 13 177.69 0.08 . 1 . . . . . 472 GLU C . 25113 1 937 . 1 . 1 148 148 GLU CA C 13 59.22 0.08 . 1 . . . . . 472 GLU CA . 25113 1 938 . 1 . 1 148 148 GLU CB C 13 28.25 0.08 . 1 . . . . . 472 GLU CB . 25113 1 939 . 1 . 1 148 148 GLU CG C 13 34.50 0.08 . 1 . . . . . 472 GLU CG . 25113 1 940 . 1 . 1 148 148 GLU N N 15 120.19 0.12 . 1 . . . . . 472 GLU N . 25113 1 941 . 1 . 1 149 149 GLU H H 1 8.38 0.05 . 1 . . . . . 473 GLU H . 25113 1 942 . 1 . 1 149 149 GLU HA H 1 4.16 0.05 . 1 . . . . . 473 GLU HA . 25113 1 943 . 1 . 1 149 149 GLU HB2 H 1 2.14 0.05 . . . . . . . 473 GLU HB2 . 25113 1 944 . 1 . 1 149 149 GLU HB3 H 1 2.14 0.05 . . . . . . . 473 GLU HB3 . 25113 1 945 . 1 . 1 149 149 GLU HG2 H 1 2.43 0.05 . 2 . . . . . 473 GLU HG2 . 25113 1 946 . 1 . 1 149 149 GLU HG3 H 1 2.32 0.05 . 2 . . . . . 473 GLU HG3 . 25113 1 947 . 1 . 1 149 149 GLU C C 13 179.34 0.08 . 1 . . . . . 473 GLU C . 25113 1 948 . 1 . 1 149 149 GLU CA C 13 58.83 0.08 . 1 . . . . . 473 GLU CA . 25113 1 949 . 1 . 1 149 149 GLU CB C 13 28.50 0.08 . 1 . . . . . 473 GLU CB . 25113 1 950 . 1 . 1 149 149 GLU CG C 13 35.47 0.08 . 1 . . . . . 473 GLU CG . 25113 1 951 . 1 . 1 149 149 GLU N N 15 119.75 0.12 . 1 . . . . . 473 GLU N . 25113 1 952 . 1 . 1 150 150 THR H H 1 8.43 0.05 . 1 . . . . . 474 THR H . 25113 1 953 . 1 . 1 150 150 THR HA H 1 3.91 0.05 . 1 . . . . . 474 THR HA . 25113 1 954 . 1 . 1 150 150 THR HB H 1 4.23 0.05 . 1 . . . . . 474 THR HB . 25113 1 955 . 1 . 1 150 150 THR HG21 H 1 1.24 0.05 . . . . . . . 474 THR HG2# . 25113 1 956 . 1 . 1 150 150 THR HG22 H 1 1.24 0.05 . . . . . . . 474 THR HG2# . 25113 1 957 . 1 . 1 150 150 THR HG23 H 1 1.24 0.05 . . . . . . . 474 THR HG2# . 25113 1 958 . 1 . 1 150 150 THR CA C 13 65.81 0.08 . 1 . . . . . 474 THR CA . 25113 1 959 . 1 . 1 150 150 THR CB C 13 66.89 0.08 . 1 . . . . . 474 THR CB . 25113 1 960 . 1 . 1 150 150 THR CG2 C 13 21.31 0.08 . 1 . . . . . 474 THR CG2 . 25113 1 961 . 1 . 1 150 150 THR N N 15 119.38 0.12 . 1 . . . . . 474 THR N . 25113 1 962 . 1 . 1 151 151 TYR H H 1 9.01 0.05 . 1 . . . . . 475 TYR H . 25113 1 963 . 1 . 1 151 151 TYR HA H 1 3.92 0.05 . 1 . . . . . 475 TYR HA . 25113 1 964 . 1 . 1 151 151 TYR HB2 H 1 2.97 0.05 . 2 . . . . . 475 TYR HB2 . 25113 1 965 . 1 . 1 151 151 TYR HB3 H 1 2.97 0.05 . 2 . . . . . 475 TYR HB3 . 25113 1 966 . 1 . 1 151 151 TYR C C 13 178.01 0.08 . 1 . . . . . 475 TYR C . 25113 1 967 . 1 . 1 151 151 TYR CA C 13 61.07 0.08 . 1 . . . . . 475 TYR CA . 25113 1 968 . 1 . 1 151 151 TYR CB C 13 37.66 0.08 . 1 . . . . . 475 TYR CB . 25113 1 969 . 1 . 1 151 151 TYR N N 15 124.43 0.12 . 1 . . . . . 475 TYR N . 25113 1 970 . 1 . 1 152 152 ASN H H 1 8.53 0.05 . 1 . . . . . 476 ASN H . 25113 1 971 . 1 . 1 152 152 ASN CA C 13 55.18 0.08 . 1 . . . . . 476 ASN CA . 25113 1 972 . 1 . 1 152 152 ASN CB C 13 37.23 0.08 . 1 . . . . . 476 ASN CB . 25113 1 973 . 1 . 1 152 152 ASN N N 15 117.78 0.12 . 1 . . . . . 476 ASN N . 25113 1 974 . 1 . 1 153 153 LEU H H 1 8.21 0.05 . 1 . . . . . 477 LEU H . 25113 1 975 . 1 . 1 153 153 LEU HA H 1 3.91 0.05 . 1 . . . . . 477 LEU HA . 25113 1 976 . 1 . 1 153 153 LEU HB2 H 1 1.46 0.05 . 2 . . . . . 477 LEU HB2 . 25113 1 977 . 1 . 1 153 153 LEU HB3 H 1 1.46 0.05 . 2 . . . . . 477 LEU HB3 . 25113 1 978 . 1 . 1 153 153 LEU HG H 1 1.34 0.05 . 1 . . . . . 477 LEU HG . 25113 1 979 . 1 . 1 153 153 LEU HD11 H 1 0.34 0.05 . . . . . . . 477 LEU HD1# . 25113 1 980 . 1 . 1 153 153 LEU HD12 H 1 0.34 0.05 . . . . . . . 477 LEU HD1# . 25113 1 981 . 1 . 1 153 153 LEU HD13 H 1 0.34 0.05 . . . . . . . 477 LEU HD1# . 25113 1 982 . 1 . 1 153 153 LEU HD21 H 1 0.42 0.05 . . . . . . . 477 LEU HD2# . 25113 1 983 . 1 . 1 153 153 LEU HD22 H 1 0.42 0.05 . . . . . . . 477 LEU HD2# . 25113 1 984 . 1 . 1 153 153 LEU HD23 H 1 0.42 0.05 . . . . . . . 477 LEU HD2# . 25113 1 985 . 1 . 1 153 153 LEU CA C 13 57.37 0.08 . 1 . . . . . 477 LEU CA . 25113 1 986 . 1 . 1 153 153 LEU CB C 13 40.10 0.08 . 1 . . . . . 477 LEU CB . 25113 1 987 . 1 . 1 153 153 LEU CG C 13 26.65 0.08 . 1 . . . . . 477 LEU CG . 25113 1 988 . 1 . 1 153 153 LEU CD1 C 13 21.70 0.08 . 2 . . . . . 477 LEU CD1 . 25113 1 989 . 1 . 1 153 153 LEU CD2 C 13 23.41 0.08 . 2 . . . . . 477 LEU CD2 . 25113 1 990 . 1 . 1 153 153 LEU N N 15 123.56 0.12 . 1 . . . . . 477 LEU N . 25113 1 991 . 1 . 1 154 154 GLN H H 1 8.38 0.05 . 1 . . . . . 478 GLN H . 25113 1 992 . 1 . 1 154 154 GLN HA H 1 4.39 0.05 . 1 . . . . . 478 GLN HA . 25113 1 993 . 1 . 1 154 154 GLN C C 13 179.54 0.08 . 1 . . . . . 478 GLN C . 25113 1 994 . 1 . 1 154 154 GLN CA C 13 58.10 0.08 . 1 . . . . . 478 GLN CA . 25113 1 995 . 1 . 1 154 154 GLN CB C 13 26.21 0.08 . 1 . . . . . 478 GLN CB . 25113 1 996 . 1 . 1 154 154 GLN N N 15 116.76 0.12 . 1 . . . . . 478 GLN N . 25113 1 997 . 1 . 1 155 155 LYS H H 1 7.50 0.05 . 1 . . . . . 479 LYS H . 25113 1 998 . 1 . 1 155 155 LYS HA H 1 3.90 0.05 . 1 . . . . . 479 LYS HA . 25113 1 999 . 1 . 1 155 155 LYS C C 13 179.94 0.08 . 1 . . . . . 479 LYS C . 25113 1 1000 . 1 . 1 155 155 LYS CA C 13 57.95 0.08 . 1 . . . . . 479 LYS CA . 25113 1 1001 . 1 . 1 155 155 LYS CB C 13 30.56 0.08 . 1 . . . . . 479 LYS CB . 25113 1 1002 . 1 . 1 155 155 LYS N N 15 118.57 0.12 . 1 . . . . . 479 LYS N . 25113 1 1003 . 1 . 1 156 156 LEU H H 1 7.81 0.05 . 1 . . . . . 480 LEU H . 25113 1 1004 . 1 . 1 156 156 LEU HA H 1 4.03 0.05 . 1 . . . . . 480 LEU HA . 25113 1 1005 . 1 . 1 156 156 LEU HB2 H 1 1.42 0.05 . 2 . . . . . 480 LEU HB2 . 25113 1 1006 . 1 . 1 156 156 LEU HB3 H 1 1.42 0.05 . 2 . . . . . 480 LEU HB3 . 25113 1 1007 . 1 . 1 156 156 LEU HG H 1 1.73 0.05 . 1 . . . . . 480 LEU HG . 25113 1 1008 . 1 . 1 156 156 LEU HD11 H 1 0.80 0.05 . . . . . . . 480 LEU HD1# . 25113 1 1009 . 1 . 1 156 156 LEU HD12 H 1 0.80 0.05 . . . . . . . 480 LEU HD1# . 25113 1 1010 . 1 . 1 156 156 LEU HD13 H 1 0.80 0.05 . . . . . . . 480 LEU HD1# . 25113 1 1011 . 1 . 1 156 156 LEU HD21 H 1 0.83 0.05 . . . . . . . 480 LEU HD2# . 25113 1 1012 . 1 . 1 156 156 LEU HD22 H 1 0.83 0.05 . . . . . . . 480 LEU HD2# . 25113 1 1013 . 1 . 1 156 156 LEU HD23 H 1 0.83 0.05 . . . . . . . 480 LEU HD2# . 25113 1 1014 . 1 . 1 156 156 LEU C C 13 178.87 0.08 . 1 . . . . . 480 LEU C . 25113 1 1015 . 1 . 1 156 156 LEU CA C 13 56.38 0.08 . 1 . . . . . 480 LEU CA . 25113 1 1016 . 1 . 1 156 156 LEU CB C 13 41.15 0.08 . 1 . . . . . 480 LEU CB . 25113 1 1017 . 1 . 1 156 156 LEU CG C 13 25.40 0.08 . 1 . . . . . 480 LEU CG . 25113 1 1018 . 1 . 1 156 156 LEU CD1 C 13 23.21 0.08 . 2 . . . . . 480 LEU CD1 . 25113 1 1019 . 1 . 1 156 156 LEU CD2 C 13 24.13 0.08 . 2 . . . . . 480 LEU CD2 . 25113 1 1020 . 1 . 1 156 156 LEU N N 15 121.24 0.12 . 1 . . . . . 480 LEU N . 25113 1 1021 . 1 . 1 157 157 LEU H H 1 7.82 0.05 . 1 . . . . . 481 LEU H . 25113 1 1022 . 1 . 1 157 157 LEU HA H 1 4.05 0.05 . 1 . . . . . 481 LEU HA . 25113 1 1023 . 1 . 1 157 157 LEU C C 13 176.26 0.08 . 1 . . . . . 481 LEU C . 25113 1 1024 . 1 . 1 157 157 LEU CA C 13 53.99 0.08 . 1 . . . . . 481 LEU CA . 25113 1 1025 . 1 . 1 157 157 LEU CB C 13 41.65 0.08 . 1 . . . . . 481 LEU CB . 25113 1 1026 . 1 . 1 157 157 LEU N N 15 115.35 0.12 . 1 . . . . . 481 LEU N . 25113 1 1027 . 1 . 1 158 158 ALA H H 1 7.19 0.05 . 1 . . . . . 482 ALA H . 25113 1 1028 . 1 . 1 158 158 ALA HA H 1 4.27 0.05 . 1 . . . . . 482 ALA HA . 25113 1 1029 . 1 . 1 158 158 ALA HB1 H 1 1.54 0.05 . . . . . . . 482 ALA HB# . 25113 1 1030 . 1 . 1 158 158 ALA HB2 H 1 1.54 0.05 . . . . . . . 482 ALA HB# . 25113 1 1031 . 1 . 1 158 158 ALA HB3 H 1 1.54 0.05 . . . . . . . 482 ALA HB# . 25113 1 1032 . 1 . 1 158 158 ALA C C 13 176.80 0.08 . 1 . . . . . 482 ALA C . 25113 1 1033 . 1 . 1 158 158 ALA CA C 13 56.27 0.08 . 1 . . . . . 482 ALA CA . 25113 1 1034 . 1 . 1 158 158 ALA CB C 13 14.47 0.08 . 1 . . . . . 482 ALA CB . 25113 1 1035 . 1 . 1 158 158 ALA N N 15 122.53 0.12 . 1 . . . . . 482 ALA N . 25113 1 1036 . 1 . 1 159 159 PRO C C 13 180.40 0.08 . 1 . . . . . 483 PRO C . 25113 1 1037 . 1 . 1 159 159 PRO CA C 13 65.70 0.08 . 1 . . . . . 483 PRO CA . 25113 1 1038 . 1 . 1 159 159 PRO CB C 13 29.37 0.08 . 1 . . . . . 483 PRO CB . 25113 1 1039 . 1 . 1 160 160 TYR H H 1 8.36 0.05 . 1 . . . . . 484 TYR H . 25113 1 1040 . 1 . 1 160 160 TYR CA C 13 59.83 0.08 . 1 . . . . . 484 TYR CA . 25113 1 1041 . 1 . 1 160 160 TYR CB C 13 36.97 0.08 . 1 . . . . . 484 TYR CB . 25113 1 1042 . 1 . 1 160 160 TYR N N 15 120.10 0.12 . 1 . . . . . 484 TYR N . 25113 1 1043 . 1 . 1 161 161 HIS H H 1 8.48 0.05 . 1 . . . . . 485 HIS H . 25113 1 1044 . 1 . 1 161 161 HIS C C 13 176.44 0.08 . 1 . . . . . 485 HIS C . 25113 1 1045 . 1 . 1 161 161 HIS CA C 13 56.61 0.08 . 1 . . . . . 485 HIS CA . 25113 1 1046 . 1 . 1 161 161 HIS CB C 13 28.23 0.08 . 1 . . . . . 485 HIS CB . 25113 1 1047 . 1 . 1 161 161 HIS N N 15 118.38 0.12 . 1 . . . . . 485 HIS N . 25113 1 1048 . 1 . 1 162 162 LYS H H 1 7.76 0.05 . 1 . . . . . 486 LYS H . 25113 1 1049 . 1 . 1 162 162 LYS HA H 1 4.13 0.05 . 1 . . . . . 486 LYS HA . 25113 1 1050 . 1 . 1 162 162 LYS C C 13 176.04 0.08 . 1 . . . . . 486 LYS C . 25113 1 1051 . 1 . 1 162 162 LYS CA C 13 55.73 0.08 . 1 . . . . . 486 LYS CA . 25113 1 1052 . 1 . 1 162 162 LYS CB C 13 31.70 0.08 . 1 . . . . . 486 LYS CB . 25113 1 1053 . 1 . 1 162 162 LYS N N 15 117.77 0.12 . 1 . . . . . 486 LYS N . 25113 1 1054 . 1 . 1 163 163 ALA H H 1 7.29 0.05 . 1 . . . . . 487 ALA H . 25113 1 1055 . 1 . 1 163 163 ALA HA H 1 4.21 0.05 . 1 . . . . . 487 ALA HA . 25113 1 1056 . 1 . 1 163 163 ALA HB1 H 1 1.46 0.05 . . . . . . . 487 ALA HB# . 25113 1 1057 . 1 . 1 163 163 ALA HB2 H 1 1.46 0.05 . . . . . . . 487 ALA HB# . 25113 1 1058 . 1 . 1 163 163 ALA HB3 H 1 1.46 0.05 . . . . . . . 487 ALA HB# . 25113 1 1059 . 1 . 1 163 163 ALA C C 13 178.12 0.08 . 1 . . . . . 487 ALA C . 25113 1 1060 . 1 . 1 163 163 ALA CA C 13 52.15 0.08 . 1 . . . . . 487 ALA CA . 25113 1 1061 . 1 . 1 163 163 ALA CB C 13 17.77 0.08 . 1 . . . . . 487 ALA CB . 25113 1 1062 . 1 . 1 163 163 ALA N N 15 123.25 0.12 . 1 . . . . . 487 ALA N . 25113 1 1063 . 1 . 1 164 164 LYS H H 1 8.91 0.05 . 1 . . . . . 488 LYS H . 25113 1 1064 . 1 . 1 164 164 LYS C C 13 176.61 0.08 . 1 . . . . . 488 LYS C . 25113 1 1065 . 1 . 1 164 164 LYS CA C 13 55.70 0.08 . 1 . . . . . 488 LYS CA . 25113 1 1066 . 1 . 1 164 164 LYS CB C 13 32.95 0.08 . 1 . . . . . 488 LYS CB . 25113 1 1067 . 1 . 1 164 164 LYS N N 15 122.72 0.12 . 1 . . . . . 488 LYS N . 25113 1 1068 . 1 . 1 165 165 THR H H 1 7.33 0.05 . 1 . . . . . 489 THR H . 25113 1 1069 . 1 . 1 165 165 THR HA H 1 4.51 0.05 . 1 . . . . . 489 THR HA . 25113 1 1070 . 1 . 1 165 165 THR C C 13 174.79 0.08 . 1 . . . . . 489 THR C . 25113 1 1071 . 1 . 1 165 165 THR CA C 13 58.01 0.08 . 1 . . . . . 489 THR CA . 25113 1 1072 . 1 . 1 165 165 THR CB C 13 69.47 0.08 . 1 . . . . . 489 THR CB . 25113 1 1073 . 1 . 1 165 165 THR N N 15 106.66 0.12 . 1 . . . . . 489 THR N . 25113 1 1074 . 1 . 1 166 166 LEU H H 1 9.73 0.05 . 1 . . . . . 490 LEU H . 25113 1 1075 . 1 . 1 166 166 LEU C C 13 179.06 0.08 . 1 . . . . . 490 LEU C . 25113 1 1076 . 1 . 1 166 166 LEU CA C 13 57.59 0.08 . 1 . . . . . 490 LEU CA . 25113 1 1077 . 1 . 1 166 166 LEU CB C 13 41.57 0.08 . 1 . . . . . 490 LEU CB . 25113 1 1078 . 1 . 1 166 166 LEU N N 15 125.86 0.12 . 1 . . . . . 490 LEU N . 25113 1 1079 . 1 . 1 167 167 GLU H H 1 10.23 0.05 . 1 . . . . . 491 GLU H . 25113 1 1080 . 1 . 1 167 167 GLU C C 13 179.72 0.08 . 1 . . . . . 491 GLU C . 25113 1 1081 . 1 . 1 167 167 GLU CA C 13 61.02 0.08 . 1 . . . . . 491 GLU CA . 25113 1 1082 . 1 . 1 167 167 GLU CB C 13 27.58 0.08 . 1 . . . . . 491 GLU CB . 25113 1 1083 . 1 . 1 167 167 GLU N N 15 120.25 0.12 . 1 . . . . . 491 GLU N . 25113 1 1084 . 1 . 1 168 168 ARG H H 1 8.17 0.05 . 1 . . . . . 492 ARG H . 25113 1 1085 . 1 . 1 168 168 ARG C C 13 178.62 0.08 . 1 . . . . . 492 ARG C . 25113 1 1086 . 1 . 1 168 168 ARG CA C 13 55.83 0.08 . 1 . . . . . 492 ARG CA . 25113 1 1087 . 1 . 1 168 168 ARG CB C 13 28.30 0.08 . 1 . . . . . 492 ARG CB . 25113 1 1088 . 1 . 1 168 168 ARG N N 15 120.41 0.12 . 1 . . . . . 492 ARG N . 25113 1 1089 . 1 . 1 169 169 GLN H H 1 8.54 0.05 . 1 . . . . . 493 GLN H . 25113 1 1090 . 1 . 1 169 169 GLN C C 13 178.42 0.08 . 1 . . . . . 493 GLN C . 25113 1 1091 . 1 . 1 169 169 GLN CA C 13 60.32 0.08 . 1 . . . . . 493 GLN CA . 25113 1 1092 . 1 . 1 169 169 GLN CB C 13 27.74 0.08 . 1 . . . . . 493 GLN CB . 25113 1 1093 . 1 . 1 169 169 GLN N N 15 121.64 0.12 . 1 . . . . . 493 GLN N . 25113 1 1094 . 1 . 1 170 170 VAL H H 1 8.62 0.05 . 1 . . . . . 494 VAL H . 25113 1 1095 . 1 . 1 170 170 VAL HA H 1 3.42 0.05 . 1 . . . . . 494 VAL HA . 25113 1 1096 . 1 . 1 170 170 VAL HB H 1 2.15 0.05 . 1 . . . . . 494 VAL HB . 25113 1 1097 . 1 . 1 170 170 VAL HG11 H 1 0.89 0.05 . . . . . . . 494 VAL HG1# . 25113 1 1098 . 1 . 1 170 170 VAL HG12 H 1 0.89 0.05 . . . . . . . 494 VAL HG1# . 25113 1 1099 . 1 . 1 170 170 VAL HG13 H 1 0.89 0.05 . . . . . . . 494 VAL HG1# . 25113 1 1100 . 1 . 1 170 170 VAL HG21 H 1 1.02 0.05 . . . . . . . 494 VAL HG2# . 25113 1 1101 . 1 . 1 170 170 VAL HG22 H 1 1.02 0.05 . . . . . . . 494 VAL HG2# . 25113 1 1102 . 1 . 1 170 170 VAL HG23 H 1 1.02 0.05 . . . . . . . 494 VAL HG2# . 25113 1 1103 . 1 . 1 170 170 VAL C C 13 176.77 0.08 . 1 . . . . . 494 VAL C . 25113 1 1104 . 1 . 1 170 170 VAL CA C 13 67.02 0.08 . 1 . . . . . 494 VAL CA . 25113 1 1105 . 1 . 1 170 170 VAL CB C 13 30.06 0.08 . 1 . . . . . 494 VAL CB . 25113 1 1106 . 1 . 1 170 170 VAL CG1 C 13 20.64 0.08 . 2 . . . . . 494 VAL CG1 . 25113 1 1107 . 1 . 1 170 170 VAL CG2 C 13 23.29 0.08 . 2 . . . . . 494 VAL CG2 . 25113 1 1108 . 1 . 1 170 170 VAL N N 15 118.84 0.12 . 1 . . . . . 494 VAL N . 25113 1 1109 . 1 . 1 171 171 TYR H H 1 7.60 0.05 . 1 . . . . . 495 TYR H . 25113 1 1110 . 1 . 1 171 171 TYR C C 13 178.30 0.08 . 1 . . . . . 495 TYR C . 25113 1 1111 . 1 . 1 171 171 TYR CA C 13 60.48 0.08 . 1 . . . . . 495 TYR CA . 25113 1 1112 . 1 . 1 171 171 TYR CB C 13 37.35 0.08 . 1 . . . . . 495 TYR CB . 25113 1 1113 . 1 . 1 171 171 TYR N N 15 119.81 0.12 . 1 . . . . . 495 TYR N . 25113 1 1114 . 1 . 1 172 172 GLU H H 1 8.88 0.05 . 1 . . . . . 496 GLU H . 25113 1 1115 . 1 . 1 172 172 GLU C C 13 181.31 0.08 . 1 . . . . . 496 GLU C . 25113 1 1116 . 1 . 1 172 172 GLU CA C 13 56.47 0.08 . 1 . . . . . 496 GLU CA . 25113 1 1117 . 1 . 1 172 172 GLU CB C 13 27.65 0.08 . 1 . . . . . 496 GLU CB . 25113 1 1118 . 1 . 1 172 172 GLU N N 15 116.10 0.12 . 1 . . . . . 496 GLU N . 25113 1 1119 . 1 . 1 173 173 LEU H H 1 8.81 0.05 . 1 . . . . . 497 LEU H . 25113 1 1120 . 1 . 1 173 173 LEU HD11 H 1 0.30 0.05 . . . . . . . 497 LEU HD1# . 25113 1 1121 . 1 . 1 173 173 LEU HD12 H 1 0.30 0.05 . . . . . . . 497 LEU HD1# . 25113 1 1122 . 1 . 1 173 173 LEU HD13 H 1 0.30 0.05 . . . . . . . 497 LEU HD1# . 25113 1 1123 . 1 . 1 173 173 LEU HD21 H 1 0.70 0.05 . . . . . . . 497 LEU HD2# . 25113 1 1124 . 1 . 1 173 173 LEU HD22 H 1 0.70 0.05 . . . . . . . 497 LEU HD2# . 25113 1 1125 . 1 . 1 173 173 LEU HD23 H 1 0.70 0.05 . . . . . . . 497 LEU HD2# . 25113 1 1126 . 1 . 1 173 173 LEU C C 13 180.16 0.08 . 1 . . . . . 497 LEU C . 25113 1 1127 . 1 . 1 173 173 LEU CA C 13 56.95 0.08 . 1 . . . . . 497 LEU CA . 25113 1 1128 . 1 . 1 173 173 LEU CB C 13 42.22 0.08 . 1 . . . . . 497 LEU CB . 25113 1 1129 . 1 . 1 173 173 LEU CD1 C 13 21.46 0.08 . 2 . . . . . 497 LEU CD1 . 25113 1 1130 . 1 . 1 173 173 LEU CD2 C 13 24.40 0.08 . 2 . . . . . 497 LEU CD2 . 25113 1 1131 . 1 . 1 173 173 LEU N N 15 121.93 0.12 . 1 . . . . . 497 LEU N . 25113 1 1132 . 1 . 1 174 174 GLU H H 1 8.86 0.05 . 1 . . . . . 498 GLU H . 25113 1 1133 . 1 . 1 174 174 GLU CA C 13 59.21 0.08 . 1 . . . . . 498 GLU CA . 25113 1 1134 . 1 . 1 174 174 GLU CB C 13 28.02 0.08 . 1 . . . . . 498 GLU CB . 25113 1 1135 . 1 . 1 174 174 GLU N N 15 123.08 0.12 . 1 . . . . . 498 GLU N . 25113 1 1136 . 1 . 1 175 175 LYS H H 1 7.54 0.05 . 1 . . . . . 499 LYS H . 25113 1 1137 . 1 . 1 175 175 LYS C C 13 179.18 0.08 . 1 . . . . . 499 LYS C . 25113 1 1138 . 1 . 1 175 175 LYS CA C 13 57.47 0.08 . 1 . . . . . 499 LYS CA . 25113 1 1139 . 1 . 1 175 175 LYS CB C 13 30.63 0.08 . 1 . . . . . 499 LYS CB . 25113 1 1140 . 1 . 1 175 175 LYS N N 15 118.94 0.12 . 1 . . . . . 499 LYS N . 25113 1 1141 . 1 . 1 176 176 LEU H H 1 7.69 0.05 . 1 . . . . . 500 LEU H . 25113 1 1142 . 1 . 1 176 176 LEU HD11 H 1 0.59 0.05 . . . . . . . 500 LEU HD1# . 25113 1 1143 . 1 . 1 176 176 LEU HD12 H 1 0.59 0.05 . . . . . . . 500 LEU HD1# . 25113 1 1144 . 1 . 1 176 176 LEU HD13 H 1 0.59 0.05 . . . . . . . 500 LEU HD1# . 25113 1 1145 . 1 . 1 176 176 LEU HD21 H 1 0.58 0.05 . . . . . . . 500 LEU HD2# . 25113 1 1146 . 1 . 1 176 176 LEU HD22 H 1 0.58 0.05 . . . . . . . 500 LEU HD2# . 25113 1 1147 . 1 . 1 176 176 LEU HD23 H 1 0.58 0.05 . . . . . . . 500 LEU HD2# . 25113 1 1148 . 1 . 1 176 176 LEU C C 13 178.56 0.08 . 1 . . . . . 500 LEU C . 25113 1 1149 . 1 . 1 176 176 LEU CA C 13 56.19 0.08 . 1 . . . . . 500 LEU CA . 25113 1 1150 . 1 . 1 176 176 LEU CB C 13 41.02 0.08 . 1 . . . . . 500 LEU CB . 25113 1 1151 . 1 . 1 176 176 LEU CD1 C 13 23.02 0.08 . 2 . . . . . 500 LEU CD1 . 25113 1 1152 . 1 . 1 176 176 LEU CD2 C 13 24.14 0.08 . 2 . . . . . 500 LEU CD2 . 25113 1 1153 . 1 . 1 176 176 LEU N N 15 117.88 0.12 . 1 . . . . . 500 LEU N . 25113 1 1154 . 1 . 1 177 177 GLN H H 1 7.21 0.05 . 1 . . . . . 501 GLN H . 25113 1 1155 . 1 . 1 177 177 GLN HA H 1 3.93 0.05 . 1 . . . . . 501 GLN HA . 25113 1 1156 . 1 . 1 177 177 GLN C C 13 177.07 0.08 . 1 . . . . . 501 GLN C . 25113 1 1157 . 1 . 1 177 177 GLN CA C 13 58.07 0.08 . 1 . . . . . 501 GLN CA . 25113 1 1158 . 1 . 1 177 177 GLN CB C 13 27.65 0.08 . 1 . . . . . 501 GLN CB . 25113 1 1159 . 1 . 1 177 177 GLN N N 15 115.55 0.12 . 1 . . . . . 501 GLN N . 25113 1 1160 . 1 . 1 178 178 GLU H H 1 7.68 0.05 . 1 . . . . . 502 GLU H . 25113 1 1161 . 1 . 1 178 178 GLU HA H 1 4.22 0.05 . 1 . . . . . 502 GLU HA . 25113 1 1162 . 1 . 1 178 178 GLU C C 13 177.19 0.08 . 1 . . . . . 502 GLU C . 25113 1 1163 . 1 . 1 178 178 GLU CA C 13 56.32 0.08 . 1 . . . . . 502 GLU CA . 25113 1 1164 . 1 . 1 178 178 GLU CB C 13 28.74 0.08 . 1 . . . . . 502 GLU CB . 25113 1 1165 . 1 . 1 178 178 GLU N N 15 113.55 0.12 . 1 . . . . . 502 GLU N . 25113 1 1166 . 1 . 1 179 179 LYS H H 1 7.43 0.05 . 1 . . . . . 503 LYS H . 25113 1 1167 . 1 . 1 179 179 LYS HA H 1 4.32 0.05 . 1 . . . . . 503 LYS HA . 25113 1 1168 . 1 . 1 179 179 LYS C C 13 176.62 0.08 . 1 . . . . . 503 LYS C . 25113 1 1169 . 1 . 1 179 179 LYS CA C 13 55.20 0.08 . 1 . . . . . 503 LYS CA . 25113 1 1170 . 1 . 1 179 179 LYS CB C 13 33.95 0.08 . 1 . . . . . 503 LYS CB . 25113 1 1171 . 1 . 1 179 179 LYS N N 15 116.61 0.12 . 1 . . . . . 503 LYS N . 25113 1 1172 . 1 . 1 180 180 LEU H H 1 7.41 0.05 . 1 . . . . . 504 LEU H . 25113 1 1173 . 1 . 1 180 180 LEU HD11 H 1 0.58 0.05 . . . . . . . 504 LEU HD1# . 25113 1 1174 . 1 . 1 180 180 LEU HD12 H 1 0.58 0.05 . . . . . . . 504 LEU HD1# . 25113 1 1175 . 1 . 1 180 180 LEU HD13 H 1 0.58 0.05 . . . . . . . 504 LEU HD1# . 25113 1 1176 . 1 . 1 180 180 LEU HD21 H 1 0.45 0.05 . . . . . . . 504 LEU HD2# . 25113 1 1177 . 1 . 1 180 180 LEU HD22 H 1 0.45 0.05 . . . . . . . 504 LEU HD2# . 25113 1 1178 . 1 . 1 180 180 LEU HD23 H 1 0.45 0.05 . . . . . . . 504 LEU HD2# . 25113 1 1179 . 1 . 1 180 180 LEU C C 13 174.61 0.08 . 1 . . . . . 504 LEU C . 25113 1 1180 . 1 . 1 180 180 LEU CA C 13 52.80 0.08 . 1 . . . . . 504 LEU CA . 25113 1 1181 . 1 . 1 180 180 LEU CB C 13 41.68 0.08 . 1 . . . . . 504 LEU CB . 25113 1 1182 . 1 . 1 180 180 LEU CD1 C 13 24.73 0.08 . 2 . . . . . 504 LEU CD1 . 25113 1 1183 . 1 . 1 180 180 LEU CD2 C 13 22.30 0.08 . 2 . . . . . 504 LEU CD2 . 25113 1 1184 . 1 . 1 180 180 LEU N N 15 119.70 0.12 . 1 . . . . . 504 LEU N . 25113 1 1185 . 1 . 1 181 181 PRO C C 13 177.52 0.08 . 1 . . . . . 505 PRO C . 25113 1 1186 . 1 . 1 181 181 PRO CA C 13 61.63 0.08 . 1 . . . . . 505 PRO CA . 25113 1 1187 . 1 . 1 181 181 PRO CB C 13 30.73 0.08 . 1 . . . . . 505 PRO CB . 25113 1 1188 . 1 . 1 182 182 GLU H H 1 8.69 0.05 . 1 . . . . . 506 GLU H . 25113 1 1189 . 1 . 1 182 182 GLU C C 13 178.49 0.08 . 1 . . . . . 506 GLU C . 25113 1 1190 . 1 . 1 182 182 GLU CA C 13 59.28 0.08 . 1 . . . . . 506 GLU CA . 25113 1 1191 . 1 . 1 182 182 GLU CB C 13 28.23 0.08 . 1 . . . . . 506 GLU CB . 25113 1 1192 . 1 . 1 182 182 GLU N N 15 123.68 0.12 . 1 . . . . . 506 GLU N . 25113 1 1193 . 1 . 1 183 183 LYS H H 1 8.56 0.05 . 1 . . . . . 507 LYS H . 25113 1 1194 . 1 . 1 183 183 LYS C C 13 176.70 0.08 . 1 . . . . . 507 LYS C . 25113 1 1195 . 1 . 1 183 183 LYS CA C 13 57.73 0.08 . 1 . . . . . 507 LYS CA . 25113 1 1196 . 1 . 1 183 183 LYS CB C 13 30.56 0.08 . 1 . . . . . 507 LYS CB . 25113 1 1197 . 1 . 1 183 183 LYS N N 15 116.00 0.12 . 1 . . . . . 507 LYS N . 25113 1 1198 . 1 . 1 184 184 TYR H H 1 7.73 0.05 . 1 . . . . . 508 TYR H . 25113 1 1199 . 1 . 1 184 184 TYR HA H 1 4.93 0.05 . 1 . . . . . 508 TYR HA . 25113 1 1200 . 1 . 1 184 184 TYR C C 13 176.02 0.08 . 1 . . . . . 508 TYR C . 25113 1 1201 . 1 . 1 184 184 TYR CA C 13 57.51 0.08 . 1 . . . . . 508 TYR CA . 25113 1 1202 . 1 . 1 184 184 TYR CB C 13 40.00 0.08 . 1 . . . . . 508 TYR CB . 25113 1 1203 . 1 . 1 184 184 TYR N N 15 116.13 0.12 . 1 . . . . . 508 TYR N . 25113 1 1204 . 1 . 1 185 185 LYS H H 1 7.63 0.05 . 1 . . . . . 509 LYS H . 25113 1 1205 . 1 . 1 185 185 LYS C C 13 178.99 0.08 . 1 . . . . . 509 LYS C . 25113 1 1206 . 1 . 1 185 185 LYS CA C 13 60.47 0.08 . 1 . . . . . 509 LYS CA . 25113 1 1207 . 1 . 1 185 185 LYS CB C 13 31.75 0.08 . 1 . . . . . 509 LYS CB . 25113 1 1208 . 1 . 1 185 185 LYS N N 15 120.07 0.12 . 1 . . . . . 509 LYS N . 25113 1 1209 . 1 . 1 186 186 ALA H H 1 8.89 0.05 . 1 . . . . . 510 ALA H . 25113 1 1210 . 1 . 1 186 186 ALA HA H 1 4.08 0.05 . 1 . . . . . 510 ALA HA . 25113 1 1211 . 1 . 1 186 186 ALA C C 13 181.09 0.08 . 1 . . . . . 510 ALA C . 25113 1 1212 . 1 . 1 186 186 ALA CA C 13 55.07 0.08 . 1 . . . . . 510 ALA CA . 25113 1 1213 . 1 . 1 186 186 ALA CB C 13 16.28 0.08 . 1 . . . . . 510 ALA CB . 25113 1 1214 . 1 . 1 186 186 ALA N N 15 121.98 0.12 . 1 . . . . . 510 ALA N . 25113 1 1215 . 1 . 1 187 187 GLU H H 1 8.58 0.05 . 1 . . . . . 511 GLU H . 25113 1 1216 . 1 . 1 187 187 GLU C C 13 179.23 0.08 . 1 . . . . . 511 GLU C . 25113 1 1217 . 1 . 1 187 187 GLU CA C 13 58.09 0.08 . 1 . . . . . 511 GLU CA . 25113 1 1218 . 1 . 1 187 187 GLU CB C 13 27.75 0.08 . 1 . . . . . 511 GLU CB . 25113 1 1219 . 1 . 1 187 187 GLU N N 15 120.49 0.12 . 1 . . . . . 511 GLU N . 25113 1 1220 . 1 . 1 188 188 TYR H H 1 7.65 0.05 . 1 . . . . . 512 TYR H . 25113 1 1221 . 1 . 1 188 188 TYR HA H 1 5.43 0.05 . 1 . . . . . 512 TYR HA . 25113 1 1222 . 1 . 1 188 188 TYR C C 13 178.27 0.08 . 1 . . . . . 512 TYR C . 25113 1 1223 . 1 . 1 188 188 TYR CA C 13 62.06 0.08 . 1 . . . . . 512 TYR CA . 25113 1 1224 . 1 . 1 188 188 TYR CB C 13 36.79 0.08 . 1 . . . . . 512 TYR CB . 25113 1 1225 . 1 . 1 188 188 TYR N N 15 117.33 0.12 . 1 . . . . . 512 TYR N . 25113 1 1226 . 1 . 1 189 189 LYS H H 1 8.73 0.05 . 1 . . . . . 513 LYS H . 25113 1 1227 . 1 . 1 189 189 LYS C C 13 178.00 0.08 . 1 . . . . . 513 LYS C . 25113 1 1228 . 1 . 1 189 189 LYS CA C 13 58.62 0.08 . 1 . . . . . 513 LYS CA . 25113 1 1229 . 1 . 1 189 189 LYS CB C 13 30.40 0.08 . 1 . . . . . 513 LYS CB . 25113 1 1230 . 1 . 1 189 189 LYS N N 15 128.48 0.12 . 1 . . . . . 513 LYS N . 25113 1 1231 . 1 . 1 190 190 LYS H H 1 7.63 0.05 . 1 . . . . . 514 LYS H . 25113 1 1232 . 1 . 1 190 190 LYS C C 13 179.44 0.08 . 1 . . . . . 514 LYS C . 25113 1 1233 . 1 . 1 190 190 LYS CA C 13 58.71 0.08 . 1 . . . . . 514 LYS CA . 25113 1 1234 . 1 . 1 190 190 LYS CB C 13 30.06 0.08 . 1 . . . . . 514 LYS CB . 25113 1 1235 . 1 . 1 190 190 LYS N N 15 120.35 0.12 . 1 . . . . . 514 LYS N . 25113 1 1236 . 1 . 1 191 191 LYS H H 1 7.50 0.05 . 1 . . . . . 515 LYS H . 25113 1 1237 . 1 . 1 191 191 LYS C C 13 179.81 0.08 . 1 . . . . . 515 LYS C . 25113 1 1238 . 1 . 1 191 191 LYS CA C 13 58.08 0.08 . 1 . . . . . 515 LYS CA . 25113 1 1239 . 1 . 1 191 191 LYS CB C 13 30.63 0.08 . 1 . . . . . 515 LYS CB . 25113 1 1240 . 1 . 1 191 191 LYS N N 15 117.91 0.12 . 1 . . . . . 515 LYS N . 25113 1 1241 . 1 . 1 192 192 LEU H H 1 8.10 0.05 . 1 . . . . . 516 LEU H . 25113 1 1242 . 1 . 1 192 192 LEU C C 13 176.84 0.08 . 1 . . . . . 516 LEU C . 25113 1 1243 . 1 . 1 192 192 LEU CA C 13 57.96 0.08 . 1 . . . . . 516 LEU CA . 25113 1 1244 . 1 . 1 192 192 LEU CB C 13 39.38 0.08 . 1 . . . . . 516 LEU CB . 25113 1 1245 . 1 . 1 192 192 LEU N N 15 125.26 0.12 . 1 . . . . . 516 LEU N . 25113 1 1246 . 1 . 1 193 193 ASP H H 1 8.54 0.05 . 1 . . . . . 517 ASP H . 25113 1 1247 . 1 . 1 193 193 ASP C C 13 179.40 0.08 . 1 . . . . . 517 ASP C . 25113 1 1248 . 1 . 1 193 193 ASP CA C 13 57.23 0.08 . 1 . . . . . 517 ASP CA . 25113 1 1249 . 1 . 1 193 193 ASP CB C 13 38.79 0.08 . 1 . . . . . 517 ASP CB . 25113 1 1250 . 1 . 1 193 193 ASP N N 15 121.28 0.12 . 1 . . . . . 517 ASP N . 25113 1 1251 . 1 . 1 194 194 GLN H H 1 8.33 0.05 . 1 . . . . . 518 GLN H . 25113 1 1252 . 1 . 1 194 194 GLN HA H 1 4.47 0.05 . 1 . . . . . 518 GLN HA . 25113 1 1253 . 1 . 1 194 194 GLN C C 13 178.84 0.08 . 1 . . . . . 518 GLN C . 25113 1 1254 . 1 . 1 194 194 GLN CA C 13 57.66 0.08 . 1 . . . . . 518 GLN CA . 25113 1 1255 . 1 . 1 194 194 GLN CB C 13 27.12 0.08 . 1 . . . . . 518 GLN CB . 25113 1 1256 . 1 . 1 194 194 GLN N N 15 118.66 0.12 . 1 . . . . . 518 GLN N . 25113 1 1257 . 1 . 1 195 195 THR H H 1 8.47 0.05 . 1 . . . . . 519 THR H . 25113 1 1258 . 1 . 1 195 195 THR CA C 13 66.00 0.08 . 1 . . . . . 519 THR CA . 25113 1 1259 . 1 . 1 195 195 THR CB C 13 67.44 0.08 . 1 . . . . . 519 THR CB . 25113 1 1260 . 1 . 1 195 195 THR N N 15 118.39 0.12 . 1 . . . . . 519 THR N . 25113 1 1261 . 1 . 1 196 196 ARG H H 1 8.69 0.05 . 1 . . . . . 520 ARG H . 25113 1 1262 . 1 . 1 196 196 ARG C C 13 179.71 0.08 . 1 . . . . . 520 ARG C . 25113 1 1263 . 1 . 1 196 196 ARG CA C 13 60.34 0.08 . 1 . . . . . 520 ARG CA . 25113 1 1264 . 1 . 1 196 196 ARG CB C 13 28.88 0.08 . 1 . . . . . 520 ARG CB . 25113 1 1265 . 1 . 1 196 196 ARG N N 15 121.71 0.12 . 1 . . . . . 520 ARG N . 25113 1 1266 . 1 . 1 197 197 VAL H H 1 7.44 0.05 . 1 . . . . . 521 VAL H . 25113 1 1267 . 1 . 1 197 197 VAL C C 13 177.80 0.08 . 1 . . . . . 521 VAL C . 25113 1 1268 . 1 . 1 197 197 VAL CA C 13 65.66 0.08 . 1 . . . . . 521 VAL CA . 25113 1 1269 . 1 . 1 197 197 VAL CB C 13 30.34 0.08 . 1 . . . . . 521 VAL CB . 25113 1 1270 . 1 . 1 197 197 VAL N N 15 121.41 0.12 . 1 . . . . . 521 VAL N . 25113 1 1271 . 1 . 1 198 198 GLU H H 1 7.86 0.05 . 1 . . . . . 522 GLU H . 25113 1 1272 . 1 . 1 198 198 GLU C C 13 180.18 0.08 . 1 . . . . . 522 GLU C . 25113 1 1273 . 1 . 1 198 198 GLU CA C 13 58.69 0.08 . 1 . . . . . 522 GLU CA . 25113 1 1274 . 1 . 1 198 198 GLU CB C 13 28.30 0.08 . 1 . . . . . 522 GLU CB . 25113 1 1275 . 1 . 1 198 198 GLU N N 15 121.32 0.12 . 1 . . . . . 522 GLU N . 25113 1 1276 . 1 . 1 199 199 LEU H H 1 8.74 0.05 . 1 . . . . . 523 LEU H . 25113 1 1277 . 1 . 1 199 199 LEU C C 13 177.08 0.08 . 1 . . . . . 523 LEU C . 25113 1 1278 . 1 . 1 199 199 LEU CA C 13 56.97 0.08 . 1 . . . . . 523 LEU CA . 25113 1 1279 . 1 . 1 199 199 LEU CB C 13 39.37 0.08 . 1 . . . . . 523 LEU CB . 25113 1 1280 . 1 . 1 199 199 LEU N N 15 121.67 0.12 . 1 . . . . . 523 LEU N . 25113 1 1281 . 1 . 1 200 200 ALA H H 1 8.11 0.05 . 1 . . . . . 524 ALA H . 25113 1 1282 . 1 . 1 200 200 ALA HA H 1 4.22 0.05 . 1 . . . . . 524 ALA HA . 25113 1 1283 . 1 . 1 200 200 ALA C C 13 181.09 0.08 . 1 . . . . . 524 ALA C . 25113 1 1284 . 1 . 1 200 200 ALA CA C 13 54.36 0.08 . 1 . . . . . 524 ALA CA . 25113 1 1285 . 1 . 1 200 200 ALA CB C 13 16.46 0.08 . 1 . . . . . 524 ALA CB . 25113 1 1286 . 1 . 1 200 200 ALA N N 15 121.85 0.12 . 1 . . . . . 524 ALA N . 25113 1 1287 . 1 . 1 201 201 ASP H H 1 8.30 0.05 . 1 . . . . . 525 ASP H . 25113 1 1288 . 1 . 1 201 201 ASP C C 13 178.83 0.08 . 1 . . . . . 525 ASP C . 25113 1 1289 . 1 . 1 201 201 ASP CA C 13 56.33 0.08 . 1 . . . . . 525 ASP CA . 25113 1 1290 . 1 . 1 201 201 ASP CB C 13 39.85 0.08 . 1 . . . . . 525 ASP CB . 25113 1 1291 . 1 . 1 201 201 ASP N N 15 118.62 0.12 . 1 . . . . . 525 ASP N . 25113 1 1292 . 1 . 1 202 202 GLN H H 1 8.26 0.05 . 1 . . . . . 526 GLN H . 25113 1 1293 . 1 . 1 202 202 GLN HA H 1 4.25 0.05 . 1 . . . . . 526 GLN HA . 25113 1 1294 . 1 . 1 202 202 GLN C C 13 178.30 0.08 . 1 . . . . . 526 GLN C . 25113 1 1295 . 1 . 1 202 202 GLN CA C 13 59.26 0.08 . 1 . . . . . 526 GLN CA . 25113 1 1296 . 1 . 1 202 202 GLN CB C 13 29.95 0.08 . 1 . . . . . 526 GLN CB . 25113 1 1297 . 1 . 1 202 202 GLN N N 15 124.66 0.12 . 1 . . . . . 526 GLN N . 25113 1 1298 . 1 . 1 203 203 VAL H H 1 8.64 0.05 . 1 . . . . . 527 VAL H . 25113 1 1299 . 1 . 1 203 203 VAL HA H 1 3.92 0.05 . 1 . . . . . 527 VAL HA . 25113 1 1300 . 1 . 1 203 203 VAL HB H 1 2.10 0.05 . 1 . . . . . 527 VAL HB . 25113 1 1301 . 1 . 1 203 203 VAL HG21 H 1 1.05 0.05 . . . . . . . 527 VAL HG2# . 25113 1 1302 . 1 . 1 203 203 VAL HG22 H 1 1.05 0.05 . . . . . . . 527 VAL HG2# . 25113 1 1303 . 1 . 1 203 203 VAL HG23 H 1 1.05 0.05 . . . . . . . 527 VAL HG2# . 25113 1 1304 . 1 . 1 203 203 VAL C C 13 179.13 0.08 . 1 . . . . . 527 VAL C . 25113 1 1305 . 1 . 1 203 203 VAL CA C 13 64.81 0.08 . 1 . . . . . 527 VAL CA . 25113 1 1306 . 1 . 1 203 203 VAL CB C 13 30.81 0.08 . 1 . . . . . 527 VAL CB . 25113 1 1307 . 1 . 1 203 203 VAL CG2 C 13 21.54 0.08 . 2 . . . . . 527 VAL CG2 . 25113 1 1308 . 1 . 1 203 203 VAL N N 15 119.99 0.12 . 1 . . . . . 527 VAL N . 25113 1 1309 . 1 . 1 204 204 LYS H H 1 8.30 0.05 . 1 . . . . . 528 LYS H . 25113 1 1310 . 1 . 1 204 204 LYS C C 13 180.38 0.08 . 1 . . . . . 528 LYS C . 25113 1 1311 . 1 . 1 204 204 LYS CA C 13 58.76 0.08 . 1 . . . . . 528 LYS CA . 25113 1 1312 . 1 . 1 204 204 LYS CB C 13 31.17 0.08 . 1 . . . . . 528 LYS CB . 25113 1 1313 . 1 . 1 204 204 LYS N N 15 120.88 0.12 . 1 . . . . . 528 LYS N . 25113 1 1314 . 1 . 1 205 205 SER H H 1 8.36 0.05 . 1 . . . . . 529 SER H . 25113 1 1315 . 1 . 1 205 205 SER HA H 1 4.42 0.05 . 1 . . . . . 529 SER HA . 25113 1 1316 . 1 . 1 205 205 SER C C 13 176.00 0.08 . 1 . . . . . 529 SER C . 25113 1 1317 . 1 . 1 205 205 SER CA C 13 60.37 0.08 . 1 . . . . . 529 SER CA . 25113 1 1318 . 1 . 1 205 205 SER CB C 13 61.95 0.08 . 1 . . . . . 529 SER CB . 25113 1 1319 . 1 . 1 205 205 SER N N 15 114.65 0.12 . 1 . . . . . 529 SER N . 25113 1 1320 . 1 . 1 206 206 ALA H H 1 7.77 0.05 . 1 . . . . . 530 ALA H . 25113 1 1321 . 1 . 1 206 206 ALA C C 13 180.19 0.08 . 1 . . . . . 530 ALA C . 25113 1 1322 . 1 . 1 206 206 ALA CA C 13 55.13 0.08 . 1 . . . . . 530 ALA CA . 25113 1 1323 . 1 . 1 206 206 ALA CB C 13 17.20 0.08 . 1 . . . . . 530 ALA CB . 25113 1 1324 . 1 . 1 206 206 ALA N N 15 125.65 0.12 . 1 . . . . . 530 ALA N . 25113 1 1325 . 1 . 1 207 207 VAL H H 1 7.48 0.05 . 1 . . . . . 531 VAL H . 25113 1 1326 . 1 . 1 207 207 VAL HA H 1 3.92 0.05 . 1 . . . . . 531 VAL HA . 25113 1 1327 . 1 . 1 207 207 VAL HB H 1 2.25 0.05 . 1 . . . . . 531 VAL HB . 25113 1 1328 . 1 . 1 207 207 VAL HG11 H 1 1.24 0.05 . . . . . . . 531 VAL HG1# . 25113 1 1329 . 1 . 1 207 207 VAL HG12 H 1 1.24 0.05 . . . . . . . 531 VAL HG1# . 25113 1 1330 . 1 . 1 207 207 VAL HG13 H 1 1.24 0.05 . . . . . . . 531 VAL HG1# . 25113 1 1331 . 1 . 1 207 207 VAL HG21 H 1 0.98 0.05 . . . . . . . 531 VAL HG2# . 25113 1 1332 . 1 . 1 207 207 VAL HG22 H 1 0.98 0.05 . . . . . . . 531 VAL HG2# . 25113 1 1333 . 1 . 1 207 207 VAL HG23 H 1 0.98 0.05 . . . . . . . 531 VAL HG2# . 25113 1 1334 . 1 . 1 207 207 VAL C C 13 177.56 0.08 . 1 . . . . . 531 VAL C . 25113 1 1335 . 1 . 1 207 207 VAL CA C 13 66.04 0.08 . 1 . . . . . 531 VAL CA . 25113 1 1336 . 1 . 1 207 207 VAL CB C 13 30.57 0.08 . 1 . . . . . 531 VAL CB . 25113 1 1337 . 1 . 1 207 207 VAL CG1 C 13 21.13 0.08 . 2 . . . . . 531 VAL CG1 . 25113 1 1338 . 1 . 1 207 207 VAL CG2 C 13 20.14 0.08 . 2 . . . . . 531 VAL CG2 . 25113 1 1339 . 1 . 1 207 207 VAL N N 15 118.94 0.12 . 1 . . . . . 531 VAL N . 25113 1 1340 . 1 . 1 208 208 THR H H 1 7.03 0.05 . 1 . . . . . 532 THR H . 25113 1 1341 . 1 . 1 208 208 THR C C 13 176.74 0.08 . 1 . . . . . 532 THR C . 25113 1 1342 . 1 . 1 208 208 THR CA C 13 62.79 0.08 . 1 . . . . . 532 THR CA . 25113 1 1343 . 1 . 1 208 208 THR CB C 13 68.02 0.08 . 1 . . . . . 532 THR CB . 25113 1 1344 . 1 . 1 208 208 THR N N 15 108.37 0.12 . 1 . . . . . 532 THR N . 25113 1 1345 . 1 . 1 209 209 GLU H H 1 8.65 0.05 . 1 . . . . . 533 GLU H . 25113 1 1346 . 1 . 1 209 209 GLU C C 13 176.95 0.08 . 1 . . . . . 533 GLU C . 25113 1 1347 . 1 . 1 209 209 GLU CA C 13 56.26 0.08 . 1 . . . . . 533 GLU CA . 25113 1 1348 . 1 . 1 209 209 GLU CB C 13 30.62 0.08 . 1 . . . . . 533 GLU CB . 25113 1 1349 . 1 . 1 209 209 GLU N N 15 116.39 0.12 . 1 . . . . . 533 GLU N . 25113 1 1350 . 1 . 1 210 210 PHE H H 1 8.41 0.05 . 1 . . . . . 534 PHE H . 25113 1 1351 . 1 . 1 210 210 PHE C C 13 176.57 0.08 . 1 . . . . . 534 PHE C . 25113 1 1352 . 1 . 1 210 210 PHE CA C 13 60.74 0.08 . 1 . . . . . 534 PHE CA . 25113 1 1353 . 1 . 1 210 210 PHE CB C 13 41.64 0.08 . 1 . . . . . 534 PHE CB . 25113 1 1354 . 1 . 1 210 210 PHE N N 15 119.62 0.12 . 1 . . . . . 534 PHE N . 25113 1 1355 . 1 . 1 211 211 GLU H H 1 9.07 0.05 . 1 . . . . . 535 GLU H . 25113 1 1356 . 1 . 1 211 211 GLU C C 13 177.26 0.08 . 1 . . . . . 535 GLU C . 25113 1 1357 . 1 . 1 211 211 GLU CA C 13 61.04 0.08 . 1 . . . . . 535 GLU CA . 25113 1 1358 . 1 . 1 211 211 GLU CB C 13 29.49 0.08 . 1 . . . . . 535 GLU CB . 25113 1 1359 . 1 . 1 211 211 GLU N N 15 126.25 0.12 . 1 . . . . . 535 GLU N . 25113 1 1360 . 1 . 1 212 212 ASN H H 1 8.63 0.05 . 1 . . . . . 536 ASN H . 25113 1 1361 . 1 . 1 212 212 ASN HA H 1 5.02 0.05 . 1 . . . . . 536 ASN HA . 25113 1 1362 . 1 . 1 212 212 ASN C C 13 174.48 0.08 . 1 . . . . . 536 ASN C . 25113 1 1363 . 1 . 1 212 212 ASN CA C 13 51.07 0.08 . 1 . . . . . 536 ASN CA . 25113 1 1364 . 1 . 1 212 212 ASN CB C 13 37.57 0.08 . 1 . . . . . 536 ASN CB . 25113 1 1365 . 1 . 1 212 212 ASN N N 15 114.77 0.12 . 1 . . . . . 536 ASN N . 25113 1 1366 . 1 . 1 213 213 VAL H H 1 6.13 0.05 . 1 . . . . . 537 VAL H . 25113 1 1367 . 1 . 1 213 213 VAL HA H 1 4.06 0.05 . 1 . . . . . 537 VAL HA . 25113 1 1368 . 1 . 1 213 213 VAL HB H 1 1.44 0.05 . 1 . . . . . 537 VAL HB . 25113 1 1369 . 1 . 1 213 213 VAL HG11 H 1 0.52 0.05 . . . . . . . 537 VAL HG1# . 25113 1 1370 . 1 . 1 213 213 VAL HG12 H 1 0.52 0.05 . . . . . . . 537 VAL HG1# . 25113 1 1371 . 1 . 1 213 213 VAL HG13 H 1 0.52 0.05 . . . . . . . 537 VAL HG1# . 25113 1 1372 . 1 . 1 213 213 VAL HG21 H 1 1.16 0.05 . . . . . . . 537 VAL HG2# . 25113 1 1373 . 1 . 1 213 213 VAL HG22 H 1 1.16 0.05 . . . . . . . 537 VAL HG2# . 25113 1 1374 . 1 . 1 213 213 VAL HG23 H 1 1.16 0.05 . . . . . . . 537 VAL HG2# . 25113 1 1375 . 1 . 1 213 213 VAL CA C 13 60.40 0.08 . 1 . . . . . 537 VAL CA . 25113 1 1376 . 1 . 1 213 213 VAL CB C 13 32.29 0.08 . 1 . . . . . 537 VAL CB . 25113 1 1377 . 1 . 1 213 213 VAL CG1 C 13 18.33 0.08 . 2 . . . . . 537 VAL CG1 . 25113 1 1378 . 1 . 1 213 213 VAL CG2 C 13 21.45 0.08 . 2 . . . . . 537 VAL CG2 . 25113 1 1379 . 1 . 1 213 213 VAL N N 15 121.13 0.12 . 1 . . . . . 537 VAL N . 25113 1 1380 . 1 . 1 214 214 THR H H 1 8.46 0.05 . 1 . . . . . 538 THR H . 25113 1 1381 . 1 . 1 214 214 THR HA H 1 4.48 0.05 . 1 . . . . . 538 THR HA . 25113 1 1382 . 1 . 1 214 214 THR C C 13 172.55 0.08 . 1 . . . . . 538 THR C . 25113 1 1383 . 1 . 1 214 214 THR CA C 13 59.30 0.08 . 1 . . . . . 538 THR CA . 25113 1 1384 . 1 . 1 214 214 THR CB C 13 68.41 0.08 . 1 . . . . . 538 THR CB . 25113 1 1385 . 1 . 1 214 214 THR N N 15 125.42 0.12 . 1 . . . . . 538 THR N . 25113 1 1386 . 1 . 1 215 215 PRO C C 13 176.11 0.08 . 1 . . . . . 539 PRO C . 25113 1 1387 . 1 . 1 215 215 PRO CA C 13 61.00 0.08 . 1 . . . . . 539 PRO CA . 25113 1 1388 . 1 . 1 215 215 PRO CB C 13 30.64 0.08 . 1 . . . . . 539 PRO CB . 25113 1 1389 . 1 . 1 216 216 THR H H 1 8.52 0.05 . 1 . . . . . 540 THR H . 25113 1 1390 . 1 . 1 216 216 THR C C 13 176.52 0.08 . 1 . . . . . 540 THR C . 25113 1 1391 . 1 . 1 216 216 THR CA C 13 62.72 0.08 . 1 . . . . . 540 THR CA . 25113 1 1392 . 1 . 1 216 216 THR CB C 13 68.07 0.08 . 1 . . . . . 540 THR CB . 25113 1 1393 . 1 . 1 216 216 THR N N 15 111.80 0.12 . 1 . . . . . 540 THR N . 25113 1 1394 . 1 . 1 217 217 ASN H H 1 9.07 0.05 . 1 . . . . . 541 ASN H . 25113 1 1395 . 1 . 1 217 217 ASN C C 13 174.96 0.08 . 1 . . . . . 541 ASN C . 25113 1 1396 . 1 . 1 217 217 ASN CA C 13 53.60 0.08 . 1 . . . . . 541 ASN CA . 25113 1 1397 . 1 . 1 217 217 ASN CB C 13 36.14 0.08 . 1 . . . . . 541 ASN CB . 25113 1 1398 . 1 . 1 217 217 ASN N N 15 116.04 0.12 . 1 . . . . . 541 ASN N . 25113 1 1399 . 1 . 1 218 218 ASP H H 1 7.37 0.05 . 1 . . . . . 542 ASP H . 25113 1 1400 . 1 . 1 218 218 ASP CA C 13 55.12 0.08 . 1 . . . . . 542 ASP CA . 25113 1 1401 . 1 . 1 218 218 ASP CB C 13 42.37 0.08 . 1 . . . . . 542 ASP CB . 25113 1 1402 . 1 . 1 218 218 ASP N N 15 117.61 0.12 . 1 . . . . . 542 ASP N . 25113 1 1403 . 1 . 1 219 219 GLN H H 1 8.42 0.05 . 1 . . . . . 543 GLN H . 25113 1 1404 . 1 . 1 219 219 GLN HA H 1 4.21 0.05 . 1 . . . . . 543 GLN HA . 25113 1 1405 . 1 . 1 219 219 GLN C C 13 174.60 0.08 . 1 . . . . . 543 GLN C . 25113 1 1406 . 1 . 1 219 219 GLN CA C 13 53.79 0.08 . 1 . . . . . 543 GLN CA . 25113 1 1407 . 1 . 1 219 219 GLN CB C 13 27.58 0.08 . 1 . . . . . 543 GLN CB . 25113 1 1408 . 1 . 1 219 219 GLN N N 15 120.20 0.12 . 1 . . . . . 543 GLN N . 25113 1 1409 . 1 . 1 220 220 LEU H H 1 8.08 0.05 . 1 . . . . . 544 LEU H . 25113 1 1410 . 1 . 1 220 220 LEU HD11 H 1 0.49 0.05 . . . . . . . 544 LEU HD1# . 25113 1 1411 . 1 . 1 220 220 LEU HD12 H 1 0.49 0.05 . . . . . . . 544 LEU HD1# . 25113 1 1412 . 1 . 1 220 220 LEU HD13 H 1 0.49 0.05 . . . . . . . 544 LEU HD1# . 25113 1 1413 . 1 . 1 220 220 LEU C C 13 176.74 0.08 . 1 . . . . . 544 LEU C . 25113 1 1414 . 1 . 1 220 220 LEU CA C 13 53.59 0.08 . 1 . . . . . 544 LEU CA . 25113 1 1415 . 1 . 1 220 220 LEU CB C 13 40.60 0.08 . 1 . . . . . 544 LEU CB . 25113 1 1416 . 1 . 1 220 220 LEU CD1 C 13 22.23 0.08 . 2 . . . . . 544 LEU CD1 . 25113 1 1417 . 1 . 1 220 220 LEU N N 15 125.40 0.12 . 1 . . . . . 544 LEU N . 25113 1 1418 . 1 . 1 221 221 THR H H 1 8.41 0.05 . 1 . . . . . 545 THR H . 25113 1 1419 . 1 . 1 221 221 THR HA H 1 4.59 0.05 . 1 . . . . . 545 THR HA . 25113 1 1420 . 1 . 1 221 221 THR C C 13 173.12 0.08 . 1 . . . . . 545 THR C . 25113 1 1421 . 1 . 1 221 221 THR CA C 13 59.26 0.08 . 1 . . . . . 545 THR CA . 25113 1 1422 . 1 . 1 221 221 THR CB C 13 70.48 0.08 . 1 . . . . . 545 THR CB . 25113 1 1423 . 1 . 1 221 221 THR N N 15 113.94 0.12 . 1 . . . . . 545 THR N . 25113 1 1424 . 1 . 1 222 222 ASP H H 1 8.71 0.05 . 1 . . . . . 546 ASP H . 25113 1 1425 . 1 . 1 222 222 ASP HA H 1 4.18 0.05 . 1 . . . . . 546 ASP HA . 25113 1 1426 . 1 . 1 222 222 ASP C C 13 174.66 0.08 . 1 . . . . . 546 ASP C . 25113 1 1427 . 1 . 1 222 222 ASP CA C 13 53.91 0.08 . 1 . . . . . 546 ASP CA . 25113 1 1428 . 1 . 1 222 222 ASP CB C 13 38.19 0.08 . 1 . . . . . 546 ASP CB . 25113 1 1429 . 1 . 1 222 222 ASP N N 15 119.79 0.12 . 1 . . . . . 546 ASP N . 25113 1 1430 . 1 . 1 223 223 LEU H H 1 7.84 0.05 . 1 . . . . . 547 LEU H . 25113 1 1431 . 1 . 1 223 223 LEU HA H 1 4.87 0.05 . 1 . . . . . 547 LEU HA . 25113 1 1432 . 1 . 1 223 223 LEU HD11 H 1 0.56 0.05 . . . . . . . 547 LEU HD1# . 25113 1 1433 . 1 . 1 223 223 LEU HD12 H 1 0.56 0.05 . . . . . . . 547 LEU HD1# . 25113 1 1434 . 1 . 1 223 223 LEU HD13 H 1 0.56 0.05 . . . . . . . 547 LEU HD1# . 25113 1 1435 . 1 . 1 223 223 LEU C C 13 178.96 0.08 . 1 . . . . . 547 LEU C . 25113 1 1436 . 1 . 1 223 223 LEU CA C 13 55.66 0.08 . 1 . . . . . 547 LEU CA . 25113 1 1437 . 1 . 1 223 223 LEU CB C 13 40.76 0.08 . 1 . . . . . 547 LEU CB . 25113 1 1438 . 1 . 1 223 223 LEU CD1 C 13 23.58 0.08 . 2 . . . . . 547 LEU CD1 . 25113 1 1439 . 1 . 1 223 223 LEU N N 15 119.84 0.12 . 1 . . . . . 547 LEU N . 25113 1 1440 . 1 . 1 224 224 GLN H H 1 9.01 0.05 . 1 . . . . . 548 GLN H . 25113 1 1441 . 1 . 1 224 224 GLN C C 13 174.91 0.08 . 1 . . . . . 548 GLN C . 25113 1 1442 . 1 . 1 224 224 GLN CA C 13 53.42 0.08 . 1 . . . . . 548 GLN CA . 25113 1 1443 . 1 . 1 224 224 GLN CB C 13 30.82 0.08 . 1 . . . . . 548 GLN CB . 25113 1 1444 . 1 . 1 224 224 GLN N N 15 124.36 0.12 . 1 . . . . . 548 GLN N . 25113 1 1445 . 1 . 1 225 225 GLU H H 1 8.97 0.05 . 1 . . . . . 549 GLU H . 25113 1 1446 . 1 . 1 225 225 GLU C C 13 174.99 0.08 . 1 . . . . . 549 GLU C . 25113 1 1447 . 1 . 1 225 225 GLU CA C 13 57.48 0.08 . 1 . . . . . 549 GLU CA . 25113 1 1448 . 1 . 1 225 225 GLU CB C 13 28.86 0.08 . 1 . . . . . 549 GLU CB . 25113 1 1449 . 1 . 1 225 225 GLU N N 15 125.70 0.12 . 1 . . . . . 549 GLU N . 25113 1 1450 . 1 . 1 226 226 ALA H H 1 8.55 0.05 . 1 . . . . . 550 ALA H . 25113 1 1451 . 1 . 1 226 226 ALA HA H 1 4.44 0.05 . 1 . . . . . 550 ALA HA . 25113 1 1452 . 1 . 1 226 226 ALA C C 13 175.20 0.08 . 1 . . . . . 550 ALA C . 25113 1 1453 . 1 . 1 226 226 ALA CA C 13 49.24 0.08 . 1 . . . . . 550 ALA CA . 25113 1 1454 . 1 . 1 226 226 ALA CB C 13 21.30 0.08 . 1 . . . . . 550 ALA CB . 25113 1 1455 . 1 . 1 226 226 ALA N N 15 129.37 0.12 . 1 . . . . . 550 ALA N . 25113 1 1456 . 1 . 1 227 227 HIS H H 1 9.09 0.05 . 1 . . . . . 551 HIS H . 25113 1 1457 . 1 . 1 227 227 HIS HA H 1 4.98 0.05 . 1 . . . . . 551 HIS HA . 25113 1 1458 . 1 . 1 227 227 HIS C C 13 171.51 0.08 . 1 . . . . . 551 HIS C . 25113 1 1459 . 1 . 1 227 227 HIS CA C 13 54.55 0.08 . 1 . . . . . 551 HIS CA . 25113 1 1460 . 1 . 1 227 227 HIS CB C 13 26.98 0.08 . 1 . . . . . 551 HIS CB . 25113 1 1461 . 1 . 1 227 227 HIS N N 15 121.80 0.12 . 1 . . . . . 551 HIS N . 25113 1 1462 . 1 . 1 228 228 PHE H H 1 8.16 0.05 . 1 . . . . . 552 PHE H . 25113 1 1463 . 1 . 1 228 228 PHE C C 13 175.27 0.08 . 1 . . . . . 552 PHE C . 25113 1 1464 . 1 . 1 228 228 PHE CA C 13 54.48 0.08 . 1 . . . . . 552 PHE CA . 25113 1 1465 . 1 . 1 228 228 PHE CB C 13 41.75 0.08 . 1 . . . . . 552 PHE CB . 25113 1 1466 . 1 . 1 228 228 PHE N N 15 123.84 0.12 . 1 . . . . . 552 PHE N . 25113 1 1467 . 1 . 1 229 229 VAL H H 1 8.28 0.05 . 1 . . . . . 553 VAL H . 25113 1 1468 . 1 . 1 229 229 VAL HA H 1 4.64 0.05 . 1 . . . . . 553 VAL HA . 25113 1 1469 . 1 . 1 229 229 VAL HB H 1 1.91 0.05 . 1 . . . . . 553 VAL HB . 25113 1 1470 . 1 . 1 229 229 VAL HG11 H 1 0.58 0.05 . . . . . . . 553 VAL HG1# . 25113 1 1471 . 1 . 1 229 229 VAL HG12 H 1 0.58 0.05 . . . . . . . 553 VAL HG1# . 25113 1 1472 . 1 . 1 229 229 VAL HG13 H 1 0.58 0.05 . . . . . . . 553 VAL HG1# . 25113 1 1473 . 1 . 1 229 229 VAL C C 13 172.83 0.08 . 1 . . . . . 553 VAL C . 25113 1 1474 . 1 . 1 229 229 VAL CA C 13 59.16 0.08 . 1 . . . . . 553 VAL CA . 25113 1 1475 . 1 . 1 229 229 VAL CB C 13 34.82 0.08 . 1 . . . . . 553 VAL CB . 25113 1 1476 . 1 . 1 229 229 VAL CG1 C 13 19.63 0.08 . 2 . . . . . 553 VAL CG1 . 25113 1 1477 . 1 . 1 229 229 VAL N N 15 116.01 0.12 . 1 . . . . . 553 VAL N . 25113 1 1478 . 1 . 1 230 230 VAL H H 1 8.88 0.05 . 1 . . . . . 554 VAL H . 25113 1 1479 . 1 . 1 230 230 VAL HB H 1 2.27 0.05 . 1 . . . . . 554 VAL HB . 25113 1 1480 . 1 . 1 230 230 VAL HG11 H 1 1.19 0.05 . . . . . . . 554 VAL HG1# . 25113 1 1481 . 1 . 1 230 230 VAL HG12 H 1 1.19 0.05 . . . . . . . 554 VAL HG1# . 25113 1 1482 . 1 . 1 230 230 VAL HG13 H 1 1.19 0.05 . . . . . . . 554 VAL HG1# . 25113 1 1483 . 1 . 1 230 230 VAL C C 13 175.47 0.08 . 1 . . . . . 554 VAL C . 25113 1 1484 . 1 . 1 230 230 VAL CA C 13 61.46 0.08 . 1 . . . . . 554 VAL CA . 25113 1 1485 . 1 . 1 230 230 VAL CB C 13 29.98 0.08 . 1 . . . . . 554 VAL CB . 25113 1 1486 . 1 . 1 230 230 VAL CG1 C 13 20.03 0.08 . 2 . . . . . 554 VAL CG1 . 25113 1 1487 . 1 . 1 230 230 VAL N N 15 124.63 0.12 . 1 . . . . . 554 VAL N . 25113 1 1488 . 1 . 1 231 231 PHE H H 1 9.82 0.05 . 1 . . . . . 555 PHE H . 25113 1 1489 . 1 . 1 231 231 PHE C C 13 176.83 0.08 . 1 . . . . . 555 PHE C . 25113 1 1490 . 1 . 1 231 231 PHE CA C 13 53.37 0.08 . 1 . . . . . 555 PHE CA . 25113 1 1491 . 1 . 1 231 231 PHE CB C 13 41.02 0.08 . 1 . . . . . 555 PHE CB . 25113 1 1492 . 1 . 1 231 231 PHE N N 15 130.17 0.12 . 1 . . . . . 555 PHE N . 25113 1 1493 . 1 . 1 232 232 GLU H H 1 8.13 0.05 . 1 . . . . . 556 GLU H . 25113 1 1494 . 1 . 1 232 232 GLU HA H 1 4.61 0.05 . 1 . . . . . 556 GLU HA . 25113 1 1495 . 1 . 1 232 232 GLU C C 13 176.17 0.08 . 1 . . . . . 556 GLU C . 25113 1 1496 . 1 . 1 232 232 GLU CA C 13 56.01 0.08 . 1 . . . . . 556 GLU CA . 25113 1 1497 . 1 . 1 232 232 GLU CB C 13 29.92 0.08 . 1 . . . . . 556 GLU CB . 25113 1 1498 . 1 . 1 232 232 GLU N N 15 117.08 0.12 . 1 . . . . . 556 GLU N . 25113 1 1499 . 1 . 1 233 233 SER H H 1 8.50 0.05 . 1 . . . . . 557 SER H . 25113 1 1500 . 1 . 1 233 233 SER CA C 13 61.48 0.08 . 1 . . . . . 557 SER CA . 25113 1 1501 . 1 . 1 233 233 SER CB C 13 62.80 0.08 . 1 . . . . . 557 SER CB . 25113 1 1502 . 1 . 1 233 233 SER N N 15 114.25 0.12 . 1 . . . . . 557 SER N . 25113 1 1503 . 1 . 1 234 234 GLU H H 1 8.57 0.05 . 1 . . . . . 558 GLU H . 25113 1 1504 . 1 . 1 234 234 GLU HA H 1 4.48 0.05 . 1 . . . . . 558 GLU HA . 25113 1 1505 . 1 . 1 234 234 GLU C C 13 175.76 0.08 . 1 . . . . . 558 GLU C . 25113 1 1506 . 1 . 1 234 234 GLU CA C 13 55.60 0.08 . 1 . . . . . 558 GLU CA . 25113 1 1507 . 1 . 1 234 234 GLU CB C 13 30.84 0.08 . 1 . . . . . 558 GLU CB . 25113 1 1508 . 1 . 1 234 234 GLU N N 15 112.89 0.12 . 1 . . . . . 558 GLU N . 25113 1 1509 . 1 . 1 235 235 GLU H H 1 7.65 0.05 . 1 . . . . . 559 GLU H . 25113 1 1510 . 1 . 1 235 235 GLU HA H 1 4.32 0.05 . 1 . . . . . 559 GLU HA . 25113 1 1511 . 1 . 1 235 235 GLU C C 13 176.30 0.08 . 1 . . . . . 559 GLU C . 25113 1 1512 . 1 . 1 235 235 GLU CA C 13 54.39 0.08 . 1 . . . . . 559 GLU CA . 25113 1 1513 . 1 . 1 235 235 GLU CB C 13 30.36 0.08 . 1 . . . . . 559 GLU CB . 25113 1 1514 . 1 . 1 235 235 GLU N N 15 118.52 0.12 . 1 . . . . . 559 GLU N . 25113 1 1515 . 1 . 1 236 236 ASN H H 1 8.81 0.05 . 1 . . . . . 560 ASN H . 25113 1 1516 . 1 . 1 236 236 ASN CA C 13 51.01 0.08 . 1 . . . . . 560 ASN CA . 25113 1 1517 . 1 . 1 236 236 ASN CB C 13 34.66 0.08 . 1 . . . . . 560 ASN CB . 25113 1 1518 . 1 . 1 236 236 ASN N N 15 125.09 0.12 . 1 . . . . . 560 ASN N . 25113 1 1519 . 1 . 1 237 237 SER H H 1 7.49 0.05 . 1 . . . . . 561 SER H . 25113 1 1520 . 1 . 1 237 237 SER HA H 1 3.86 0.05 . 1 . . . . . 561 SER HA . 25113 1 1521 . 1 . 1 237 237 SER C C 13 172.33 0.08 . 1 . . . . . 561 SER C . 25113 1 1522 . 1 . 1 237 237 SER CA C 13 55.72 0.08 . 1 . . . . . 561 SER CA . 25113 1 1523 . 1 . 1 237 237 SER CB C 13 64.50 0.08 . 1 . . . . . 561 SER CB . 25113 1 1524 . 1 . 1 237 237 SER N N 15 116.43 0.12 . 1 . . . . . 561 SER N . 25113 1 1525 . 1 . 1 238 238 GLU H H 1 9.18 0.05 . 1 . . . . . 562 GLU H . 25113 1 1526 . 1 . 1 238 238 GLU C C 13 177.06 0.08 . 1 . . . . . 562 GLU C . 25113 1 1527 . 1 . 1 238 238 GLU CA C 13 58.11 0.08 . 1 . . . . . 562 GLU CA . 25113 1 1528 . 1 . 1 238 238 GLU CB C 13 27.74 0.08 . 1 . . . . . 562 GLU CB . 25113 1 1529 . 1 . 1 238 238 GLU N N 15 123.58 0.12 . 1 . . . . . 562 GLU N . 25113 1 1530 . 1 . 1 239 239 SER H H 1 8.83 0.05 . 1 . . . . . 563 SER H . 25113 1 1531 . 1 . 1 239 239 SER C C 13 177.86 0.08 . 1 . . . . . 563 SER C . 25113 1 1532 . 1 . 1 239 239 SER CA C 13 56.30 0.08 . 1 . . . . . 563 SER CA . 25113 1 1533 . 1 . 1 239 239 SER CB C 13 62.40 0.08 . 1 . . . . . 563 SER CB . 25113 1 1534 . 1 . 1 239 239 SER N N 15 117.14 0.12 . 1 . . . . . 563 SER N . 25113 1 1535 . 1 . 1 240 240 VAL H H 1 8.83 0.05 . 1 . . . . . 564 VAL H . 25113 1 1536 . 1 . 1 240 240 VAL HA H 1 4.07 0.05 . 1 . . . . . 564 VAL HA . 25113 1 1537 . 1 . 1 240 240 VAL HB H 1 2.10 0.05 . 1 . . . . . 564 VAL HB . 25113 1 1538 . 1 . 1 240 240 VAL HG11 H 1 0.95 0.05 . . . . . . . 564 VAL HG1# . 25113 1 1539 . 1 . 1 240 240 VAL HG12 H 1 0.95 0.05 . . . . . . . 564 VAL HG1# . 25113 1 1540 . 1 . 1 240 240 VAL HG13 H 1 0.95 0.05 . . . . . . . 564 VAL HG1# . 25113 1 1541 . 1 . 1 240 240 VAL HG21 H 1 0.80 0.05 . . . . . . . 564 VAL HG2# . 25113 1 1542 . 1 . 1 240 240 VAL HG22 H 1 0.80 0.05 . . . . . . . 564 VAL HG2# . 25113 1 1543 . 1 . 1 240 240 VAL HG23 H 1 0.80 0.05 . . . . . . . 564 VAL HG2# . 25113 1 1544 . 1 . 1 240 240 VAL C C 13 178.01 0.08 . 1 . . . . . 564 VAL C . 25113 1 1545 . 1 . 1 240 240 VAL CA C 13 64.47 0.08 . 1 . . . . . 564 VAL CA . 25113 1 1546 . 1 . 1 240 240 VAL CB C 13 29.99 0.08 . 1 . . . . . 564 VAL CB . 25113 1 1547 . 1 . 1 240 240 VAL CG1 C 13 19.49 0.08 . 2 . . . . . 564 VAL CG1 . 25113 1 1548 . 1 . 1 240 240 VAL CG2 C 13 18.81 0.08 . 2 . . . . . 564 VAL CG2 . 25113 1 1549 . 1 . 1 240 240 VAL N N 15 131.13 0.12 . 1 . . . . . 564 VAL N . 25113 1 1550 . 1 . 1 241 241 MET H H 1 8.48 0.05 . 1 . . . . . 565 MET H . 25113 1 1551 . 1 . 1 241 241 MET C C 13 178.91 0.08 . 1 . . . . . 565 MET C . 25113 1 1552 . 1 . 1 241 241 MET CA C 13 54.71 0.08 . 1 . . . . . 565 MET CA . 25113 1 1553 . 1 . 1 241 241 MET CB C 13 29.46 0.08 . 1 . . . . . 565 MET CB . 25113 1 1554 . 1 . 1 241 241 MET N N 15 117.52 0.12 . 1 . . . . . 565 MET N . 25113 1 1555 . 1 . 1 242 242 ASP H H 1 8.21 0.05 . 1 . . . . . 566 ASP H . 25113 1 1556 . 1 . 1 242 242 ASP CA C 13 57.52 0.08 . 1 . . . . . 566 ASP CA . 25113 1 1557 . 1 . 1 242 242 ASP CB C 13 41.74 0.08 . 1 . . . . . 566 ASP CB . 25113 1 1558 . 1 . 1 242 242 ASP N N 15 120.31 0.12 . 1 . . . . . 566 ASP N . 25113 1 1559 . 1 . 1 243 243 GLY H H 1 7.63 0.05 . 1 . . . . . 567 GLY H . 25113 1 1560 . 1 . 1 243 243 GLY C C 13 174.29 0.08 . 1 . . . . . 567 GLY C . 25113 1 1561 . 1 . 1 243 243 GLY CA C 13 44.67 0.08 . 1 . . . . . 567 GLY CA . 25113 1 1562 . 1 . 1 243 243 GLY N N 15 101.68 0.12 . 1 . . . . . 567 GLY N . 25113 1 1563 . 1 . 1 244 244 PHE H H 1 7.97 0.05 . 1 . . . . . 568 PHE H . 25113 1 1564 . 1 . 1 244 244 PHE HA H 1 4.71 0.05 . 1 . . . . . 568 PHE HA . 25113 1 1565 . 1 . 1 244 244 PHE C C 13 173.30 0.08 . 1 . . . . . 568 PHE C . 25113 1 1566 . 1 . 1 244 244 PHE CA C 13 57.61 0.08 . 1 . . . . . 568 PHE CA . 25113 1 1567 . 1 . 1 244 244 PHE CB C 13 38.29 0.08 . 1 . . . . . 568 PHE CB . 25113 1 1568 . 1 . 1 244 244 PHE N N 15 118.62 0.12 . 1 . . . . . 568 PHE N . 25113 1 1569 . 1 . 1 245 245 VAL H H 1 7.49 0.05 . 1 . . . . . 569 VAL H . 25113 1 1570 . 1 . 1 245 245 VAL HA H 1 4.97 0.05 . 1 . . . . . 569 VAL HA . 25113 1 1571 . 1 . 1 245 245 VAL HB H 1 2.13 0.05 . 1 . . . . . 569 VAL HB . 25113 1 1572 . 1 . 1 245 245 VAL HG11 H 1 0.98 0.05 . . . . . . . 569 VAL HG1# . 25113 1 1573 . 1 . 1 245 245 VAL HG12 H 1 0.98 0.05 . . . . . . . 569 VAL HG1# . 25113 1 1574 . 1 . 1 245 245 VAL HG13 H 1 0.98 0.05 . . . . . . . 569 VAL HG1# . 25113 1 1575 . 1 . 1 245 245 VAL HG21 H 1 1.10 0.05 . . . . . . . 569 VAL HG2# . 25113 1 1576 . 1 . 1 245 245 VAL HG22 H 1 1.10 0.05 . . . . . . . 569 VAL HG2# . 25113 1 1577 . 1 . 1 245 245 VAL HG23 H 1 1.10 0.05 . . . . . . . 569 VAL HG2# . 25113 1 1578 . 1 . 1 245 245 VAL C C 13 174.68 0.08 . 1 . . . . . 569 VAL C . 25113 1 1579 . 1 . 1 245 245 VAL CA C 13 58.60 0.08 . 1 . . . . . 569 VAL CA . 25113 1 1580 . 1 . 1 245 245 VAL CB C 13 33.55 0.08 . 1 . . . . . 569 VAL CB . 25113 1 1581 . 1 . 1 245 245 VAL CG1 C 13 18.66 0.08 . 2 . . . . . 569 VAL CG1 . 25113 1 1582 . 1 . 1 245 245 VAL CG2 C 13 21.10 0.08 . 2 . . . . . 569 VAL CG2 . 25113 1 1583 . 1 . 1 245 245 VAL N N 15 114.28 0.12 . 1 . . . . . 569 VAL N . 25113 1 1584 . 1 . 1 246 246 GLU H H 1 8.26 0.05 . 1 . . . . . 570 GLU H . 25113 1 1585 . 1 . 1 246 246 GLU HA H 1 4.44 0.05 . 1 . . . . . 570 GLU HA . 25113 1 1586 . 1 . 1 246 246 GLU C C 13 175.91 0.08 . 1 . . . . . 570 GLU C . 25113 1 1587 . 1 . 1 246 246 GLU CA C 13 55.02 0.08 . 1 . . . . . 570 GLU CA . 25113 1 1588 . 1 . 1 246 246 GLU CB C 13 28.93 0.08 . 1 . . . . . 570 GLU CB . 25113 1 1589 . 1 . 1 246 246 GLU N N 15 121.92 0.12 . 1 . . . . . 570 GLU N . 25113 1 1590 . 1 . 1 247 247 HIS H H 1 8.45 0.05 . 1 . . . . . 571 HIS H . 25113 1 1591 . 1 . 1 247 247 HIS HA H 1 4.79 0.05 . 1 . . . . . 571 HIS HA . 25113 1 1592 . 1 . 1 247 247 HIS C C 13 173.15 0.08 . 1 . . . . . 571 HIS C . 25113 1 1593 . 1 . 1 247 247 HIS CA C 13 53.41 0.08 . 1 . . . . . 571 HIS CA . 25113 1 1594 . 1 . 1 247 247 HIS CB C 13 28.84 0.08 . 1 . . . . . 571 HIS CB . 25113 1 1595 . 1 . 1 247 247 HIS N N 15 118.36 0.12 . 1 . . . . . 571 HIS N . 25113 1 1596 . 1 . 1 248 248 PRO C C 13 176.63 0.08 . 1 . . . . . 572 PRO C . 25113 1 1597 . 1 . 1 248 248 PRO CA C 13 62.14 0.08 . 1 . . . . . 572 PRO CA . 25113 1 1598 . 1 . 1 248 248 PRO CB C 13 33.06 0.08 . 1 . . . . . 572 PRO CB . 25113 1 1599 . 1 . 1 249 249 PHE H H 1 8.30 0.05 . 1 . . . . . 573 PHE H . 25113 1 1600 . 1 . 1 249 249 PHE C C 13 174.01 0.08 . 1 . . . . . 573 PHE C . 25113 1 1601 . 1 . 1 249 249 PHE CA C 13 55.87 0.08 . 1 . . . . . 573 PHE CA . 25113 1 1602 . 1 . 1 249 249 PHE CB C 13 39.01 0.08 . 1 . . . . . 573 PHE CB . 25113 1 1603 . 1 . 1 249 249 PHE N N 15 120.45 0.12 . 1 . . . . . 573 PHE N . 25113 1 1604 . 1 . 1 250 250 TYR H H 1 8.28 0.05 . 1 . . . . . 574 TYR H . 25113 1 1605 . 1 . 1 250 250 TYR C C 13 176.24 0.08 . 1 . . . . . 574 TYR C . 25113 1 1606 . 1 . 1 250 250 TYR CA C 13 56.33 0.08 . 1 . . . . . 574 TYR CA . 25113 1 1607 . 1 . 1 250 250 TYR CB C 13 41.71 0.08 . 1 . . . . . 574 TYR CB . 25113 1 1608 . 1 . 1 250 250 TYR N N 15 115.19 0.12 . 1 . . . . . 574 TYR N . 25113 1 1609 . 1 . 1 251 251 THR H H 1 9.27 0.05 . 1 . . . . . 575 THR H . 25113 1 1610 . 1 . 1 251 251 THR HA H 1 5.39 0.05 . 1 . . . . . 575 THR HA . 25113 1 1611 . 1 . 1 251 251 THR C C 13 173.60 0.08 . 1 . . . . . 575 THR C . 25113 1 1612 . 1 . 1 251 251 THR CA C 13 59.81 0.08 . 1 . . . . . 575 THR CA . 25113 1 1613 . 1 . 1 251 251 THR CB C 13 71.23 0.08 . 1 . . . . . 575 THR CB . 25113 1 1614 . 1 . 1 251 251 THR N N 15 108.90 0.12 . 1 . . . . . 575 THR N . 25113 1 1615 . 1 . 1 252 252 ALA H H 1 8.78 0.05 . 1 . . . . . 576 ALA H . 25113 1 1616 . 1 . 1 252 252 ALA HA H 1 4.68 0.05 . 1 . . . . . 576 ALA HA . 25113 1 1617 . 1 . 1 252 252 ALA C C 13 175.84 0.08 . 1 . . . . . 576 ALA C . 25113 1 1618 . 1 . 1 252 252 ALA CA C 13 50.48 0.08 . 1 . . . . . 576 ALA CA . 25113 1 1619 . 1 . 1 252 252 ALA CB C 13 23.95 0.08 . 1 . . . . . 576 ALA CB . 25113 1 1620 . 1 . 1 252 252 ALA N N 15 119.71 0.12 . 1 . . . . . 576 ALA N . 25113 1 1621 . 1 . 1 253 253 THR H H 1 9.13 0.05 . 1 . . . . . 577 THR H . 25113 1 1622 . 1 . 1 253 253 THR HA H 1 5.25 0.05 . 1 . . . . . 577 THR HA . 25113 1 1623 . 1 . 1 253 253 THR C C 13 173.60 0.08 . 1 . . . . . 577 THR C . 25113 1 1624 . 1 . 1 253 253 THR CA C 13 60.40 0.08 . 1 . . . . . 577 THR CA . 25113 1 1625 . 1 . 1 253 253 THR CB C 13 69.51 0.08 . 1 . . . . . 577 THR CB . 25113 1 1626 . 1 . 1 253 253 THR N N 15 115.25 0.12 . 1 . . . . . 577 THR N . 25113 1 1627 . 1 . 1 254 254 LEU H H 1 9.10 0.05 . 1 . . . . . 578 LEU H . 25113 1 1628 . 1 . 1 254 254 LEU HA H 1 4.65 0.05 . 1 . . . . . 578 LEU HA . 25113 1 1629 . 1 . 1 254 254 LEU C C 13 176.53 0.08 . 1 . . . . . 578 LEU C . 25113 1 1630 . 1 . 1 254 254 LEU CA C 13 54.11 0.08 . 1 . . . . . 578 LEU CA . 25113 1 1631 . 1 . 1 254 254 LEU CB C 13 42.87 0.08 . 1 . . . . . 578 LEU CB . 25113 1 1632 . 1 . 1 254 254 LEU N N 15 125.55 0.12 . 1 . . . . . 578 LEU N . 25113 1 1633 . 1 . 1 255 255 ASN H H 1 9.59 0.05 . 1 . . . . . 579 ASN H . 25113 1 1634 . 1 . 1 255 255 ASN HA H 1 4.26 0.05 . 1 . . . . . 579 ASN HA . 25113 1 1635 . 1 . 1 255 255 ASN C C 13 175.56 0.08 . 1 . . . . . 579 ASN C . 25113 1 1636 . 1 . 1 255 255 ASN CA C 13 53.91 0.08 . 1 . . . . . 579 ASN CA . 25113 1 1637 . 1 . 1 255 255 ASN CB C 13 36.40 0.08 . 1 . . . . . 579 ASN CB . 25113 1 1638 . 1 . 1 255 255 ASN N N 15 127.88 0.12 . 1 . . . . . 579 ASN N . 25113 1 1639 . 1 . 1 256 256 GLY H H 1 8.47 0.05 . 1 . . . . . 580 GLY H . 25113 1 1640 . 1 . 1 256 256 GLY C C 13 173.31 0.08 . 1 . . . . . 580 GLY C . 25113 1 1641 . 1 . 1 256 256 GLY CA C 13 44.62 0.08 . 1 . . . . . 580 GLY CA . 25113 1 1642 . 1 . 1 256 256 GLY N N 15 103.55 0.12 . 1 . . . . . 580 GLY N . 25113 1 1643 . 1 . 1 257 257 GLN H H 1 7.85 0.05 . 1 . . . . . 581 GLN H . 25113 1 1644 . 1 . 1 257 257 GLN HA H 1 4.60 0.05 . 1 . . . . . 581 GLN HA . 25113 1 1645 . 1 . 1 257 257 GLN C C 13 173.29 0.08 . 1 . . . . . 581 GLN C . 25113 1 1646 . 1 . 1 257 257 GLN CA C 13 52.82 0.08 . 1 . . . . . 581 GLN CA . 25113 1 1647 . 1 . 1 257 257 GLN CB C 13 30.07 0.08 . 1 . . . . . 581 GLN CB . 25113 1 1648 . 1 . 1 257 257 GLN N N 15 121.06 0.12 . 1 . . . . . 581 GLN N . 25113 1 1649 . 1 . 1 258 258 LYS H H 1 8.55 0.05 . 1 . . . . . 582 LYS H . 25113 1 1650 . 1 . 1 258 258 LYS HA H 1 5.08 0.05 . 1 . . . . . 582 LYS HA . 25113 1 1651 . 1 . 1 258 258 LYS C C 13 176.02 0.08 . 1 . . . . . 582 LYS C . 25113 1 1652 . 1 . 1 258 258 LYS CA C 13 54.63 0.08 . 1 . . . . . 582 LYS CA . 25113 1 1653 . 1 . 1 258 258 LYS CB C 13 32.83 0.08 . 1 . . . . . 582 LYS CB . 25113 1 1654 . 1 . 1 258 258 LYS N N 15 123.45 0.12 . 1 . . . . . 582 LYS N . 25113 1 1655 . 1 . 1 259 259 TYR H H 1 9.47 0.05 . 1 . . . . . 583 TYR H . 25113 1 1656 . 1 . 1 259 259 TYR C C 13 174.73 0.08 . 1 . . . . . 583 TYR C . 25113 1 1657 . 1 . 1 259 259 TYR CA C 13 57.53 0.08 . 1 . . . . . 583 TYR CA . 25113 1 1658 . 1 . 1 259 259 TYR CB C 13 41.13 0.08 . 1 . . . . . 583 TYR CB . 25113 1 1659 . 1 . 1 259 259 TYR N N 15 124.24 0.12 . 1 . . . . . 583 TYR N . 25113 1 1660 . 1 . 1 260 260 VAL H H 1 9.02 0.05 . 1 . . . . . 584 VAL H . 25113 1 1661 . 1 . 1 260 260 VAL HA H 1 3.86 0.05 . 1 . . . . . 584 VAL HA . 25113 1 1662 . 1 . 1 260 260 VAL C C 13 173.53 0.08 . 1 . . . . . 584 VAL C . 25113 1 1663 . 1 . 1 260 260 VAL CA C 13 61.61 0.08 . 1 . . . . . 584 VAL CA . 25113 1 1664 . 1 . 1 260 260 VAL CB C 13 29.51 0.08 . 1 . . . . . 584 VAL CB . 25113 1 1665 . 1 . 1 260 260 VAL N N 15 121.83 0.12 . 1 . . . . . 584 VAL N . 25113 1 1666 . 1 . 1 261 261 VAL H H 1 8.88 0.05 . 1 . . . . . 585 VAL H . 25113 1 1667 . 1 . 1 261 261 VAL C C 13 174.40 0.08 . 1 . . . . . 585 VAL C . 25113 1 1668 . 1 . 1 261 261 VAL CA C 13 59.32 0.08 . 1 . . . . . 585 VAL CA . 25113 1 1669 . 1 . 1 261 261 VAL CB C 13 31.75 0.08 . 1 . . . . . 585 VAL CB . 25113 1 1670 . 1 . 1 261 261 VAL CG1 C 13 21.35 0.08 . 2 . . . . . 585 VAL CG1 . 25113 1 1671 . 1 . 1 261 261 VAL N N 15 125.93 0.12 . 1 . . . . . 585 VAL N . 25113 1 1672 . 1 . 1 262 262 MET H H 1 8.86 0.05 . 1 . . . . . 586 MET H . 25113 1 1673 . 1 . 1 262 262 MET C C 13 173.25 0.08 . 1 . . . . . 586 MET C . 25113 1 1674 . 1 . 1 262 262 MET CA C 13 52.24 0.08 . 1 . . . . . 586 MET CA . 25113 1 1675 . 1 . 1 262 262 MET CB C 13 36.82 0.08 . 1 . . . . . 586 MET CB . 25113 1 1676 . 1 . 1 262 262 MET N N 15 127.47 0.12 . 1 . . . . . 586 MET N . 25113 1 1677 . 1 . 1 263 263 LYS H H 1 8.82 0.05 . 1 . . . . . 587 LYS H . 25113 1 1678 . 1 . 1 263 263 LYS HA H 1 5.39 0.05 . 1 . . . . . 587 LYS HA . 25113 1 1679 . 1 . 1 263 263 LYS C C 13 176.80 0.08 . 1 . . . . . 587 LYS C . 25113 1 1680 . 1 . 1 263 263 LYS CA C 13 52.85 0.08 . 1 . . . . . 587 LYS CA . 25113 1 1681 . 1 . 1 263 263 LYS CB C 13 33.46 0.08 . 1 . . . . . 587 LYS CB . 25113 1 1682 . 1 . 1 263 263 LYS N N 15 125.47 0.12 . 1 . . . . . 587 LYS N . 25113 1 1683 . 1 . 1 264 264 THR H H 1 8.59 0.05 . 1 . . . . . 588 THR H . 25113 1 1684 . 1 . 1 264 264 THR C C 13 174.53 0.08 . 1 . . . . . 588 THR C . 25113 1 1685 . 1 . 1 264 264 THR CA C 13 59.88 0.08 . 1 . . . . . 588 THR CA . 25113 1 1686 . 1 . 1 264 264 THR CB C 13 70.34 0.08 . 1 . . . . . 588 THR CB . 25113 1 1687 . 1 . 1 264 264 THR N N 15 112.23 0.12 . 1 . . . . . 588 THR N . 25113 1 1688 . 1 . 1 265 265 LYS H H 1 8.49 0.05 . 1 . . . . . 589 LYS H . 25113 1 1689 . 1 . 1 265 265 LYS C C 13 175.04 0.08 . 1 . . . . . 589 LYS C . 25113 1 1690 . 1 . 1 265 265 LYS CA C 13 53.95 0.08 . 1 . . . . . 589 LYS CA . 25113 1 1691 . 1 . 1 265 265 LYS CB C 13 34.02 0.08 . 1 . . . . . 589 LYS CB . 25113 1 1692 . 1 . 1 265 265 LYS N N 15 119.65 0.12 . 1 . . . . . 589 LYS N . 25113 1 1693 . 1 . 1 266 266 ASP H H 1 9.30 0.05 . 1 . . . . . 590 ASP H . 25113 1 1694 . 1 . 1 266 266 ASP C C 13 177.14 0.08 . 1 . . . . . 590 ASP C . 25113 1 1695 . 1 . 1 266 266 ASP CB C 13 38.18 0.08 . 1 . . . . . 590 ASP CB . 25113 1 1696 . 1 . 1 266 266 ASP N N 15 120.16 0.12 . 1 . . . . . 590 ASP N . 25113 1 1697 . 1 . 1 267 267 ASP H H 1 8.10 0.05 . 1 . . . . . 591 ASP H . 25113 1 1698 . 1 . 1 267 267 ASP HA H 1 4.32 0.05 . 1 . . . . . 591 ASP HA . 25113 1 1699 . 1 . 1 267 267 ASP C C 13 178.44 0.08 . 1 . . . . . 591 ASP C . 25113 1 1700 . 1 . 1 267 267 ASP CA C 13 57.91 0.08 . 1 . . . . . 591 ASP CA . 25113 1 1701 . 1 . 1 267 267 ASP CB C 13 41.70 0.08 . 1 . . . . . 591 ASP CB . 25113 1 1702 . 1 . 1 267 267 ASP N N 15 117.54 0.12 . 1 . . . . . 591 ASP N . 25113 1 1703 . 1 . 1 268 268 SER H H 1 8.78 0.05 . 1 . . . . . 592 SER H . 25113 1 1704 . 1 . 1 268 268 SER HA H 1 5.82 0.05 . 1 . . . . . 592 SER HA . 25113 1 1705 . 1 . 1 268 268 SER CA C 13 59.86 0.08 . 1 . . . . . 592 SER CA . 25113 1 1706 . 1 . 1 268 268 SER CB C 13 61.63 0.08 . 1 . . . . . 592 SER CB . 25113 1 1707 . 1 . 1 268 268 SER N N 15 113.02 0.12 . 1 . . . . . 592 SER N . 25113 1 1708 . 1 . 1 269 269 TYR H H 1 8.81 0.05 . 1 . . . . . 593 TYR H . 25113 1 1709 . 1 . 1 269 269 TYR HA H 1 4.67 0.05 . 1 . . . . . 593 TYR HA . 25113 1 1710 . 1 . 1 269 269 TYR C C 13 176.26 0.08 . 1 . . . . . 593 TYR C . 25113 1 1711 . 1 . 1 269 269 TYR CA C 13 56.42 0.08 . 1 . . . . . 593 TYR CA . 25113 1 1712 . 1 . 1 269 269 TYR CB C 13 36.92 0.08 . 1 . . . . . 593 TYR CB . 25113 1 1713 . 1 . 1 269 269 TYR N N 15 121.66 0.12 . 1 . . . . . 593 TYR N . 25113 1 1714 . 1 . 1 270 270 TRP H H 1 8.90 0.05 . 1 . . . . . 594 TRP H . 25113 1 1715 . 1 . 1 270 270 TRP C C 13 176.34 0.08 . 1 . . . . . 594 TRP C . 25113 1 1716 . 1 . 1 270 270 TRP CA C 13 58.31 0.08 . 1 . . . . . 594 TRP CA . 25113 1 1717 . 1 . 1 270 270 TRP CB C 13 27.72 0.08 . 1 . . . . . 594 TRP CB . 25113 1 1718 . 1 . 1 270 270 TRP N N 15 121.38 0.12 . 1 . . . . . 594 TRP N . 25113 1 1719 . 1 . 1 271 271 LYS H H 1 9.28 0.05 . 1 . . . . . 595 LYS H . 25113 1 1720 . 1 . 1 271 271 LYS C C 13 175.67 0.08 . 1 . . . . . 595 LYS C . 25113 1 1721 . 1 . 1 271 271 LYS CA C 13 54.55 0.08 . 1 . . . . . 595 LYS CA . 25113 1 1722 . 1 . 1 271 271 LYS CB C 13 31.69 0.08 . 1 . . . . . 595 LYS CB . 25113 1 1723 . 1 . 1 271 271 LYS N N 15 121.10 0.12 . 1 . . . . . 595 LYS N . 25113 1 1724 . 1 . 1 272 272 ASP H H 1 7.73 0.05 . 1 . . . . . 596 ASP H . 25113 1 1725 . 1 . 1 272 272 ASP C C 13 174.47 0.08 . 1 . . . . . 596 ASP C . 25113 1 1726 . 1 . 1 272 272 ASP CA C 13 52.79 0.08 . 1 . . . . . 596 ASP CA . 25113 1 1727 . 1 . 1 272 272 ASP CB C 13 42.31 0.08 . 1 . . . . . 596 ASP CB . 25113 1 1728 . 1 . 1 272 272 ASP N N 15 114.34 0.12 . 1 . . . . . 596 ASP N . 25113 1 1729 . 1 . 1 273 273 LEU H H 1 7.61 0.05 . 1 . . . . . 597 LEU H . 25113 1 1730 . 1 . 1 273 273 LEU C C 13 173.38 0.08 . 1 . . . . . 597 LEU C . 25113 1 1731 . 1 . 1 273 273 LEU CA C 13 55.39 0.08 . 1 . . . . . 597 LEU CA . 25113 1 1732 . 1 . 1 273 273 LEU CB C 13 41.76 0.08 . 1 . . . . . 597 LEU CB . 25113 1 1733 . 1 . 1 273 273 LEU N N 15 120.00 0.12 . 1 . . . . . 597 LEU N . 25113 1 1734 . 1 . 1 274 274 ILE H H 1 8.85 0.05 . 1 . . . . . 598 ILE H . 25113 1 1735 . 1 . 1 274 274 ILE HD11 H 1 0.80 0.05 . . . . . . . 598 ILE HD1# . 25113 1 1736 . 1 . 1 274 274 ILE HD12 H 1 0.80 0.05 . . . . . . . 598 ILE HD1# . 25113 1 1737 . 1 . 1 274 274 ILE HD13 H 1 0.80 0.05 . . . . . . . 598 ILE HD1# . 25113 1 1738 . 1 . 1 274 274 ILE C C 13 176.09 0.08 . 1 . . . . . 598 ILE C . 25113 1 1739 . 1 . 1 274 274 ILE CA C 13 59.27 0.08 . 1 . . . . . 598 ILE CA . 25113 1 1740 . 1 . 1 274 274 ILE CB C 13 39.37 0.08 . 1 . . . . . 598 ILE CB . 25113 1 1741 . 1 . 1 274 274 ILE CD1 C 13 12.46 0.08 . 1 . . . . . 598 ILE CD1 . 25113 1 1742 . 1 . 1 274 274 ILE N N 15 128.50 0.12 . 1 . . . . . 598 ILE N . 25113 1 1743 . 1 . 1 275 275 VAL H H 1 8.42 0.05 . 1 . . . . . 599 VAL H . 25113 1 1744 . 1 . 1 275 275 VAL HA H 1 4.52 0.05 . 1 . . . . . 599 VAL HA . 25113 1 1745 . 1 . 1 275 275 VAL HB H 1 1.66 0.05 . 1 . . . . . 599 VAL HB . 25113 1 1746 . 1 . 1 275 275 VAL HG11 H 1 0.13 0.05 . . . . . . . 599 VAL HG1# . 25113 1 1747 . 1 . 1 275 275 VAL HG12 H 1 0.13 0.05 . . . . . . . 599 VAL HG1# . 25113 1 1748 . 1 . 1 275 275 VAL HG13 H 1 0.13 0.05 . . . . . . . 599 VAL HG1# . 25113 1 1749 . 1 . 1 275 275 VAL HG21 H 1 0.42 0.05 . . . . . . . 599 VAL HG2# . 25113 1 1750 . 1 . 1 275 275 VAL HG22 H 1 0.42 0.05 . . . . . . . 599 VAL HG2# . 25113 1 1751 . 1 . 1 275 275 VAL HG23 H 1 0.42 0.05 . . . . . . . 599 VAL HG2# . 25113 1 1752 . 1 . 1 275 275 VAL C C 13 176.06 0.08 . 1 . . . . . 599 VAL C . 25113 1 1753 . 1 . 1 275 275 VAL CA C 13 61.00 0.08 . 1 . . . . . 599 VAL CA . 25113 1 1754 . 1 . 1 275 275 VAL CB C 13 31.80 0.08 . 1 . . . . . 599 VAL CB . 25113 1 1755 . 1 . 1 275 275 VAL CG1 C 13 19.04 0.08 . 2 . . . . . 599 VAL CG1 . 25113 1 1756 . 1 . 1 275 275 VAL CG2 C 13 20.09 0.08 . 2 . . . . . 599 VAL CG2 . 25113 1 1757 . 1 . 1 275 275 VAL N N 15 127.68 0.12 . 1 . . . . . 599 VAL N . 25113 1 1758 . 1 . 1 276 276 GLU H H 1 9.97 0.05 . 1 . . . . . 600 GLU H . 25113 1 1759 . 1 . 1 276 276 GLU C C 13 176.63 0.08 . 1 . . . . . 600 GLU C . 25113 1 1760 . 1 . 1 276 276 GLU CA C 13 56.26 0.08 . 1 . . . . . 600 GLU CA . 25113 1 1761 . 1 . 1 276 276 GLU CB C 13 25.91 0.08 . 1 . . . . . 600 GLU CB . 25113 1 1762 . 1 . 1 276 276 GLU N N 15 129.00 0.12 . 1 . . . . . 600 GLU N . 25113 1 1763 . 1 . 1 277 277 GLY H H 1 8.55 0.05 . 1 . . . . . 601 GLY H . 25113 1 1764 . 1 . 1 277 277 GLY C C 13 173.57 0.08 . 1 . . . . . 601 GLY C . 25113 1 1765 . 1 . 1 277 277 GLY CA C 13 44.57 0.08 . 1 . . . . . 601 GLY CA . 25113 1 1766 . 1 . 1 277 277 GLY N N 15 103.13 0.12 . 1 . . . . . 601 GLY N . 25113 1 1767 . 1 . 1 278 278 LYS H H 1 7.87 0.05 . 1 . . . . . 602 LYS H . 25113 1 1768 . 1 . 1 278 278 LYS HA H 1 4.80 0.05 . 1 . . . . . 602 LYS HA . 25113 1 1769 . 1 . 1 278 278 LYS C C 13 175.92 0.08 . 1 . . . . . 602 LYS C . 25113 1 1770 . 1 . 1 278 278 LYS CA C 13 53.41 0.08 . 1 . . . . . 602 LYS CA . 25113 1 1771 . 1 . 1 278 278 LYS CB C 13 33.59 0.08 . 1 . . . . . 602 LYS CB . 25113 1 1772 . 1 . 1 278 278 LYS N N 15 122.31 0.12 . 1 . . . . . 602 LYS N . 25113 1 1773 . 1 . 1 279 279 ARG H H 1 9.36 0.05 . 1 . . . . . 603 ARG H . 25113 1 1774 . 1 . 1 279 279 ARG C C 13 176.75 0.08 . 1 . . . . . 603 ARG C . 25113 1 1775 . 1 . 1 279 279 ARG CA C 13 57.52 0.08 . 1 . . . . . 603 ARG CA . 25113 1 1776 . 1 . 1 279 279 ARG CB C 13 27.89 0.08 . 1 . . . . . 603 ARG CB . 25113 1 1777 . 1 . 1 279 279 ARG N N 15 132.03 0.12 . 1 . . . . . 603 ARG N . 25113 1 1778 . 1 . 1 280 280 VAL H H 1 7.30 0.05 . 1 . . . . . 604 VAL H . 25113 1 1779 . 1 . 1 280 280 VAL C C 13 175.44 0.08 . 1 . . . . . 604 VAL C . 25113 1 1780 . 1 . 1 280 280 VAL CA C 13 61.22 0.08 . 1 . . . . . 604 VAL CA . 25113 1 1781 . 1 . 1 280 280 VAL CB C 13 30.63 0.08 . 1 . . . . . 604 VAL CB . 25113 1 1782 . 1 . 1 280 280 VAL N N 15 118.23 0.12 . 1 . . . . . 604 VAL N . 25113 1 1783 . 1 . 1 281 281 THR H H 1 8.06 0.05 . 1 . . . . . 605 THR H . 25113 1 1784 . 1 . 1 281 281 THR C C 13 174.34 0.08 . 1 . . . . . 605 THR C . 25113 1 1785 . 1 . 1 281 281 THR CA C 13 61.60 0.08 . 1 . . . . . 605 THR CA . 25113 1 1786 . 1 . 1 281 281 THR CB C 13 69.54 0.08 . 1 . . . . . 605 THR CB . 25113 1 1787 . 1 . 1 281 281 THR N N 15 119.45 0.12 . 1 . . . . . 605 THR N . 25113 1 1788 . 1 . 1 282 282 THR H H 1 9.32 0.05 . 1 . . . . . 606 THR H . 25113 1 1789 . 1 . 1 282 282 THR C C 13 173.47 0.08 . 1 . . . . . 606 THR C . 25113 1 1790 . 1 . 1 282 282 THR CA C 13 63.37 0.08 . 1 . . . . . 606 THR CA . 25113 1 1791 . 1 . 1 282 282 THR CB C 13 67.75 0.08 . 1 . . . . . 606 THR CB . 25113 1 1792 . 1 . 1 282 282 THR N N 15 126.16 0.12 . 1 . . . . . 606 THR N . 25113 1 1793 . 1 . 1 283 283 VAL H H 1 8.65 0.05 . 1 . . . . . 607 VAL H . 25113 1 1794 . 1 . 1 283 283 VAL HA H 1 4.61 0.05 . 1 . . . . . 607 VAL HA . 25113 1 1795 . 1 . 1 283 283 VAL HB H 1 1.71 0.05 . 1 . . . . . 607 VAL HB . 25113 1 1796 . 1 . 1 283 283 VAL HG11 H 1 0.71 0.05 . . . . . . . 607 VAL HG1# . 25113 1 1797 . 1 . 1 283 283 VAL HG12 H 1 0.71 0.05 . . . . . . . 607 VAL HG1# . 25113 1 1798 . 1 . 1 283 283 VAL HG13 H 1 0.71 0.05 . . . . . . . 607 VAL HG1# . 25113 1 1799 . 1 . 1 283 283 VAL HG21 H 1 0.78 0.05 . . . . . . . 607 VAL HG2# . 25113 1 1800 . 1 . 1 283 283 VAL HG22 H 1 0.78 0.05 . . . . . . . 607 VAL HG2# . 25113 1 1801 . 1 . 1 283 283 VAL HG23 H 1 0.78 0.05 . . . . . . . 607 VAL HG2# . 25113 1 1802 . 1 . 1 283 283 VAL C C 13 175.83 0.08 . 1 . . . . . 607 VAL C . 25113 1 1803 . 1 . 1 283 283 VAL CA C 13 61.72 0.08 . 1 . . . . . 607 VAL CA . 25113 1 1804 . 1 . 1 283 283 VAL CB C 13 31.57 0.08 . 1 . . . . . 607 VAL CB . 25113 1 1805 . 1 . 1 283 283 VAL CG1 C 13 21.00 0.08 . 2 . . . . . 607 VAL CG1 . 25113 1 1806 . 1 . 1 283 283 VAL CG2 C 13 20.89 0.08 . 2 . . . . . 607 VAL CG2 . 25113 1 1807 . 1 . 1 283 283 VAL N N 15 127.72 0.12 . 1 . . . . . 607 VAL N . 25113 1 1808 . 1 . 1 284 284 SER H H 1 7.80 0.05 . 1 . . . . . 608 SER H . 25113 1 1809 . 1 . 1 284 284 SER C C 13 172.43 0.08 . 1 . . . . . 608 SER C . 25113 1 1810 . 1 . 1 284 284 SER CA C 13 56.60 0.08 . 1 . . . . . 608 SER CA . 25113 1 1811 . 1 . 1 284 284 SER CB C 13 64.49 0.08 . 1 . . . . . 608 SER CB . 25113 1 1812 . 1 . 1 284 284 SER N N 15 111.83 0.12 . 1 . . . . . 608 SER N . 25113 1 1813 . 1 . 1 285 285 LYS H H 1 8.61 0.05 . 1 . . . . . 609 LYS H . 25113 1 1814 . 1 . 1 285 285 LYS HA H 1 4.52 0.05 . 1 . . . . . 609 LYS HA . 25113 1 1815 . 1 . 1 285 285 LYS C C 13 174.14 0.08 . 1 . . . . . 609 LYS C . 25113 1 1816 . 1 . 1 285 285 LYS CA C 13 55.70 0.08 . 1 . . . . . 609 LYS CA . 25113 1 1817 . 1 . 1 285 285 LYS CB C 13 34.73 0.08 . 1 . . . . . 609 LYS CB . 25113 1 1818 . 1 . 1 285 285 LYS N N 15 121.35 0.12 . 1 . . . . . 609 LYS N . 25113 1 1819 . 1 . 1 286 286 ASP H H 1 8.55 0.05 . 1 . . . . . 610 ASP H . 25113 1 1820 . 1 . 1 286 286 ASP C C 13 174.96 0.08 . 1 . . . . . 610 ASP C . 25113 1 1821 . 1 . 1 286 286 ASP CA C 13 49.27 0.08 . 1 . . . . . 610 ASP CA . 25113 1 1822 . 1 . 1 286 286 ASP CB C 13 40.63 0.08 . 1 . . . . . 610 ASP CB . 25113 1 1823 . 1 . 1 286 286 ASP N N 15 122.31 0.12 . 1 . . . . . 610 ASP N . 25113 1 1824 . 1 . 1 287 287 PRO C C 13 178.92 0.08 . 1 . . . . . 611 PRO C . 25113 1 1825 . 1 . 1 287 287 PRO CA C 13 63.33 0.08 . 1 . . . . . 611 PRO CA . 25113 1 1826 . 1 . 1 287 287 PRO CB C 13 30.73 0.08 . 1 . . . . . 611 PRO CB . 25113 1 1827 . 1 . 1 288 288 LYS H H 1 8.02 0.05 . 1 . . . . . 612 LYS H . 25113 1 1828 . 1 . 1 288 288 LYS C C 13 177.60 0.08 . 1 . . . . . 612 LYS C . 25113 1 1829 . 1 . 1 288 288 LYS CA C 13 57.92 0.08 . 1 . . . . . 612 LYS CA . 25113 1 1830 . 1 . 1 288 288 LYS CB C 13 30.58 0.08 . 1 . . . . . 612 LYS CB . 25113 1 1831 . 1 . 1 288 288 LYS N N 15 119.34 0.12 . 1 . . . . . 612 LYS N . 25113 1 1832 . 1 . 1 289 289 ASN H H 1 7.28 0.05 . 1 . . . . . 613 ASN H . 25113 1 1833 . 1 . 1 289 289 ASN HA H 1 4.77 0.05 . 1 . . . . . 613 ASN HA . 25113 1 1834 . 1 . 1 289 289 ASN C C 13 174.09 0.08 . 1 . . . . . 613 ASN C . 25113 1 1835 . 1 . 1 289 289 ASN CA C 13 51.87 0.08 . 1 . . . . . 613 ASN CA . 25113 1 1836 . 1 . 1 289 289 ASN CB C 13 38.21 0.08 . 1 . . . . . 613 ASN CB . 25113 1 1837 . 1 . 1 289 289 ASN N N 15 114.93 0.12 . 1 . . . . . 613 ASN N . 25113 1 1838 . 1 . 1 290 290 ASN H H 1 7.96 0.05 . 1 . . . . . 614 ASN H . 25113 1 1839 . 1 . 1 290 290 ASN C C 13 173.01 0.08 . 1 . . . . . 614 ASN C . 25113 1 1840 . 1 . 1 290 290 ASN CB C 13 35.28 0.08 . 1 . . . . . 614 ASN CB . 25113 1 1841 . 1 . 1 290 290 ASN N N 15 119.93 0.12 . 1 . . . . . 614 ASN N . 25113 1 1842 . 1 . 1 291 291 SER H H 1 7.61 0.05 . 1 . . . . . 615 SER H . 25113 1 1843 . 1 . 1 291 291 SER C C 13 172.59 0.08 . 1 . . . . . 615 SER C . 25113 1 1844 . 1 . 1 291 291 SER CA C 13 55.80 0.08 . 1 . . . . . 615 SER CA . 25113 1 1845 . 1 . 1 291 291 SER CB C 13 65.49 0.08 . 1 . . . . . 615 SER CB . 25113 1 1846 . 1 . 1 291 291 SER N N 15 111.56 0.12 . 1 . . . . . 615 SER N . 25113 1 1847 . 1 . 1 292 292 ARG H H 1 8.13 0.05 . 1 . . . . . 616 ARG H . 25113 1 1848 . 1 . 1 292 292 ARG C C 13 173.44 0.08 . 1 . . . . . 616 ARG C . 25113 1 1849 . 1 . 1 292 292 ARG CA C 13 53.29 0.08 . 1 . . . . . 616 ARG CA . 25113 1 1850 . 1 . 1 292 292 ARG CB C 13 32.05 0.08 . 1 . . . . . 616 ARG CB . 25113 1 1851 . 1 . 1 292 292 ARG N N 15 126.67 0.12 . 1 . . . . . 616 ARG N . 25113 1 1852 . 1 . 1 293 293 THR H H 1 8.49 0.05 . 1 . . . . . 617 THR H . 25113 1 1853 . 1 . 1 293 293 THR HA H 1 4.93 0.05 . 1 . . . . . 617 THR HA . 25113 1 1854 . 1 . 1 293 293 THR C C 13 172.77 0.08 . 1 . . . . . 617 THR C . 25113 1 1855 . 1 . 1 293 293 THR CA C 13 61.35 0.08 . 1 . . . . . 617 THR CA . 25113 1 1856 . 1 . 1 293 293 THR CB C 13 68.10 0.08 . 1 . . . . . 617 THR CB . 25113 1 1857 . 1 . 1 293 293 THR N N 15 117.73 0.12 . 1 . . . . . 617 THR N . 25113 1 1858 . 1 . 1 294 294 LEU H H 1 9.63 0.05 . 1 . . . . . 618 LEU H . 25113 1 1859 . 1 . 1 294 294 LEU HA H 1 5.00 0.05 . 1 . . . . . 618 LEU HA . 25113 1 1860 . 1 . 1 294 294 LEU C C 13 173.59 0.08 . 1 . . . . . 618 LEU C . 25113 1 1861 . 1 . 1 294 294 LEU CA C 13 52.22 0.08 . 1 . . . . . 618 LEU CA . 25113 1 1862 . 1 . 1 294 294 LEU CB C 13 44.64 0.08 . 1 . . . . . 618 LEU CB . 25113 1 1863 . 1 . 1 294 294 LEU N N 15 129.28 0.12 . 1 . . . . . 618 LEU N . 25113 1 1864 . 1 . 1 295 295 ILE H H 1 8.90 0.05 . 1 . . . . . 619 ILE H . 25113 1 1865 . 1 . 1 295 295 ILE HD11 H 1 -0.34 0.05 . . . . . . . 619 ILE HD1# . 25113 1 1866 . 1 . 1 295 295 ILE HD12 H 1 -0.34 0.05 . . . . . . . 619 ILE HD1# . 25113 1 1867 . 1 . 1 295 295 ILE HD13 H 1 -0.34 0.05 . . . . . . . 619 ILE HD1# . 25113 1 1868 . 1 . 1 295 295 ILE C C 13 175.90 0.08 . 1 . . . . . 619 ILE C . 25113 1 1869 . 1 . 1 295 295 ILE CA C 13 57.52 0.08 . 1 . . . . . 619 ILE CA . 25113 1 1870 . 1 . 1 295 295 ILE CB C 13 41.20 0.08 . 1 . . . . . 619 ILE CB . 25113 1 1871 . 1 . 1 295 295 ILE CD1 C 13 10.37 0.08 . 1 . . . . . 619 ILE CD1 . 25113 1 1872 . 1 . 1 295 295 ILE N N 15 111.23 0.12 . 1 . . . . . 619 ILE N . 25113 1 1873 . 1 . 1 296 296 PHE H H 1 8.19 0.05 . 1 . . . . . 620 PHE H . 25113 1 1874 . 1 . 1 296 296 PHE C C 13 172.29 0.08 . 1 . . . . . 620 PHE C . 25113 1 1875 . 1 . 1 296 296 PHE CA C 13 53.72 0.08 . 1 . . . . . 620 PHE CA . 25113 1 1876 . 1 . 1 296 296 PHE CB C 13 38.10 0.08 . 1 . . . . . 620 PHE CB . 25113 1 1877 . 1 . 1 296 296 PHE N N 15 115.43 0.12 . 1 . . . . . 620 PHE N . 25113 1 1878 . 1 . 1 297 297 PRO C C 13 174.42 0.08 . 1 . . . . . 621 PRO C . 25113 1 1879 . 1 . 1 297 297 PRO CA C 13 64.52 0.08 . 1 . . . . . 621 PRO CA . 25113 1 1880 . 1 . 1 297 297 PRO CB C 13 31.16 0.08 . 1 . . . . . 621 PRO CB . 25113 1 1881 . 1 . 1 298 298 TYR H H 1 8.02 0.05 . 1 . . . . . 622 TYR H . 25113 1 1882 . 1 . 1 298 298 TYR HA H 1 4.07 0.05 . 1 . . . . . 622 TYR HA . 25113 1 1883 . 1 . 1 298 298 TYR C C 13 174.52 0.08 . 1 . . . . . 622 TYR C . 25113 1 1884 . 1 . 1 298 298 TYR CA C 13 56.11 0.08 . 1 . . . . . 622 TYR CA . 25113 1 1885 . 1 . 1 298 298 TYR CB C 13 38.12 0.08 . 1 . . . . . 622 TYR CB . 25113 1 1886 . 1 . 1 298 298 TYR N N 15 122.54 0.12 . 1 . . . . . 622 TYR N . 25113 1 1887 . 1 . 1 299 299 ILE H H 1 8.35 0.05 . 1 . . . . . 623 ILE H . 25113 1 1888 . 1 . 1 299 299 ILE HA H 1 4.59 0.05 . 1 . . . . . 623 ILE HA . 25113 1 1889 . 1 . 1 299 299 ILE HB H 1 1.69 0.05 . 1 . . . . . 623 ILE HB . 25113 1 1890 . 1 . 1 299 299 ILE HD11 H 1 0.83 0.05 . . . . . . . 623 ILE HD1# . 25113 1 1891 . 1 . 1 299 299 ILE HD12 H 1 0.83 0.05 . . . . . . . 623 ILE HD1# . 25113 1 1892 . 1 . 1 299 299 ILE HD13 H 1 0.83 0.05 . . . . . . . 623 ILE HD1# . 25113 1 1893 . 1 . 1 299 299 ILE C C 13 174.53 0.08 . 1 . . . . . 623 ILE C . 25113 1 1894 . 1 . 1 299 299 ILE CA C 13 55.92 0.08 . 1 . . . . . 623 ILE CA . 25113 1 1895 . 1 . 1 299 299 ILE CB C 13 37.03 0.08 . 1 . . . . . 623 ILE CB . 25113 1 1896 . 1 . 1 299 299 ILE CG2 C 13 16.40 0.08 . 1 . . . . . 623 ILE CG2 . 25113 1 1897 . 1 . 1 299 299 ILE CD1 C 13 10.67 0.08 . 1 . . . . . 623 ILE CD1 . 25113 1 1898 . 1 . 1 299 299 ILE N N 15 131.98 0.12 . 1 . . . . . 623 ILE N . 25113 1 1899 . 1 . 1 300 300 PRO C C 13 176.26 0.08 . 1 . . . . . 624 PRO C . 25113 1 1900 . 1 . 1 300 300 PRO CA C 13 63.46 0.08 . 1 . . . . . 624 PRO CA . 25113 1 1901 . 1 . 1 300 300 PRO CB C 13 30.61 0.08 . 1 . . . . . 624 PRO CB . 25113 1 1902 . 1 . 1 301 301 ASP H H 1 8.31 0.05 . 1 . . . . . 625 ASP H . 25113 1 1903 . 1 . 1 301 301 ASP HA H 1 4.43 0.05 . 1 . . . . . 625 ASP HA . 25113 1 1904 . 1 . 1 301 301 ASP C C 13 174.20 0.08 . 1 . . . . . 625 ASP C . 25113 1 1905 . 1 . 1 301 301 ASP CA C 13 53.75 0.08 . 1 . . . . . 625 ASP CA . 25113 1 1906 . 1 . 1 301 301 ASP CB C 13 38.85 0.08 . 1 . . . . . 625 ASP CB . 25113 1 1907 . 1 . 1 301 301 ASP N N 15 114.54 0.12 . 1 . . . . . 625 ASP N . 25113 1 1908 . 1 . 1 302 302 LYS H H 1 7.08 0.05 . 1 . . . . . 626 LYS H . 25113 1 1909 . 1 . 1 302 302 LYS HA H 1 4.13 0.05 . 1 . . . . . 626 LYS HA . 25113 1 1910 . 1 . 1 302 302 LYS C C 13 174.78 0.08 . 1 . . . . . 626 LYS C . 25113 1 1911 . 1 . 1 302 302 LYS CA C 13 55.12 0.08 . 1 . . . . . 626 LYS CA . 25113 1 1912 . 1 . 1 302 302 LYS CB C 13 32.37 0.08 . 1 . . . . . 626 LYS CB . 25113 1 1913 . 1 . 1 302 302 LYS N N 15 121.27 0.12 . 1 . . . . . 626 LYS N . 25113 1 1914 . 1 . 1 303 303 ALA H H 1 8.63 0.05 . 1 . . . . . 627 ALA H . 25113 1 1915 . 1 . 1 303 303 ALA HA H 1 4.30 0.05 . 1 . . . . . 627 ALA HA . 25113 1 1916 . 1 . 1 303 303 ALA C C 13 176.00 0.08 . 1 . . . . . 627 ALA C . 25113 1 1917 . 1 . 1 303 303 ALA CA C 13 53.51 0.08 . 1 . . . . . 627 ALA CA . 25113 1 1918 . 1 . 1 303 303 ALA CB C 13 18.92 0.08 . 1 . . . . . 627 ALA CB . 25113 1 1919 . 1 . 1 303 303 ALA N N 15 130.75 0.12 . 1 . . . . . 627 ALA N . 25113 1 1920 . 1 . 1 304 304 VAL H H 1 7.52 0.05 . 1 . . . . . 628 VAL H . 25113 1 1921 . 1 . 1 304 304 VAL HA H 1 4.36 0.05 . 1 . . . . . 628 VAL HA . 25113 1 1922 . 1 . 1 304 304 VAL HB H 1 1.96 0.05 . 1 . . . . . 628 VAL HB . 25113 1 1923 . 1 . 1 304 304 VAL C C 13 173.95 0.08 . 1 . . . . . 628 VAL C . 25113 1 1924 . 1 . 1 304 304 VAL CA C 13 60.95 0.08 . 1 . . . . . 628 VAL CA . 25113 1 1925 . 1 . 1 304 304 VAL CB C 13 32.92 0.08 . 1 . . . . . 628 VAL CB . 25113 1 1926 . 1 . 1 304 304 VAL N N 15 114.78 0.12 . 1 . . . . . 628 VAL N . 25113 1 1927 . 1 . 1 305 305 TYR H H 1 9.56 0.05 . 1 . . . . . 629 TYR H . 25113 1 1928 . 1 . 1 305 305 TYR HA H 1 5.05 0.05 . 1 . . . . . 629 TYR HA . 25113 1 1929 . 1 . 1 305 305 TYR C C 13 175.73 0.08 . 1 . . . . . 629 TYR C . 25113 1 1930 . 1 . 1 305 305 TYR CA C 13 55.11 0.08 . 1 . . . . . 629 TYR CA . 25113 1 1931 . 1 . 1 305 305 TYR CB C 13 36.88 0.08 . 1 . . . . . 629 TYR CB . 25113 1 1932 . 1 . 1 305 305 TYR N N 15 127.28 0.12 . 1 . . . . . 629 TYR N . 25113 1 1933 . 1 . 1 306 306 ASN H H 1 10.06 0.05 . 1 . . . . . 630 ASN H . 25113 1 1934 . 1 . 1 306 306 ASN C C 13 174.43 0.08 . 1 . . . . . 630 ASN C . 25113 1 1935 . 1 . 1 306 306 ASN CA C 13 54.46 0.08 . 1 . . . . . 630 ASN CA . 25113 1 1936 . 1 . 1 306 306 ASN CB C 13 40.01 0.08 . 1 . . . . . 630 ASN CB . 25113 1 1937 . 1 . 1 306 306 ASN N N 15 125.70 0.12 . 1 . . . . . 630 ASN N . 25113 1 1938 . 1 . 1 307 307 ALA H H 1 8.99 0.05 . 1 . . . . . 631 ALA H . 25113 1 1939 . 1 . 1 307 307 ALA HA H 1 5.49 0.05 . 1 . . . . . 631 ALA HA . 25113 1 1940 . 1 . 1 307 307 ALA HB1 H 1 1.12 0.05 . . . . . . . 631 ALA HB# . 25113 1 1941 . 1 . 1 307 307 ALA HB2 H 1 1.12 0.05 . . . . . . . 631 ALA HB# . 25113 1 1942 . 1 . 1 307 307 ALA HB3 H 1 1.12 0.05 . . . . . . . 631 ALA HB# . 25113 1 1943 . 1 . 1 307 307 ALA C C 13 174.52 0.08 . 1 . . . . . 631 ALA C . 25113 1 1944 . 1 . 1 307 307 ALA CA C 13 49.50 0.08 . 1 . . . . . 631 ALA CA . 25113 1 1945 . 1 . 1 307 307 ALA CB C 13 21.86 0.08 . 1 . . . . . 631 ALA CB . 25113 1 1946 . 1 . 1 307 307 ALA N N 15 125.43 0.12 . 1 . . . . . 631 ALA N . 25113 1 1947 . 1 . 1 308 308 ILE H H 1 9.00 0.05 . 1 . . . . . 632 ILE H . 25113 1 1948 . 1 . 1 308 308 ILE HA H 1 4.98 0.05 . 1 . . . . . 632 ILE HA . 25113 1 1949 . 1 . 1 308 308 ILE HB H 1 1.65 0.05 . 1 . . . . . 632 ILE HB . 25113 1 1950 . 1 . 1 308 308 ILE HG21 H 1 0.78 0.05 . . . . . . . 632 ILE HG2# . 25113 1 1951 . 1 . 1 308 308 ILE HG22 H 1 0.78 0.05 . . . . . . . 632 ILE HG2# . 25113 1 1952 . 1 . 1 308 308 ILE HG23 H 1 0.78 0.05 . . . . . . . 632 ILE HG2# . 25113 1 1953 . 1 . 1 308 308 ILE HD11 H 1 0.97 0.05 . . . . . . . 632 ILE HD1# . 25113 1 1954 . 1 . 1 308 308 ILE HD12 H 1 0.97 0.05 . . . . . . . 632 ILE HD1# . 25113 1 1955 . 1 . 1 308 308 ILE HD13 H 1 0.97 0.05 . . . . . . . 632 ILE HD1# . 25113 1 1956 . 1 . 1 308 308 ILE C C 13 174.57 0.08 . 1 . . . . . 632 ILE C . 25113 1 1957 . 1 . 1 308 308 ILE CA C 13 58.74 0.08 . 1 . . . . . 632 ILE CA . 25113 1 1958 . 1 . 1 308 308 ILE CB C 13 39.11 0.08 . 1 . . . . . 632 ILE CB . 25113 1 1959 . 1 . 1 308 308 ILE CG1 C 13 26.38 0.08 . 1 . . . . . 632 ILE CG1 . 25113 1 1960 . 1 . 1 308 308 ILE CG2 C 13 16.27 0.08 . 1 . . . . . 632 ILE CG2 . 25113 1 1961 . 1 . 1 308 308 ILE CD1 C 13 11.91 0.08 . 1 . . . . . 632 ILE CD1 . 25113 1 1962 . 1 . 1 308 308 ILE N N 15 120.60 0.12 . 1 . . . . . 632 ILE N . 25113 1 1963 . 1 . 1 309 309 VAL H H 1 9.11 0.05 . 1 . . . . . 633 VAL H . 25113 1 1964 . 1 . 1 309 309 VAL HB H 1 1.78 0.05 . 1 . . . . . 633 VAL HB . 25113 1 1965 . 1 . 1 309 309 VAL HG11 H 1 0.69 0.05 . . . . . . . 633 VAL HG1# . 25113 1 1966 . 1 . 1 309 309 VAL HG12 H 1 0.69 0.05 . . . . . . . 633 VAL HG1# . 25113 1 1967 . 1 . 1 309 309 VAL HG13 H 1 0.69 0.05 . . . . . . . 633 VAL HG1# . 25113 1 1968 . 1 . 1 309 309 VAL HG21 H 1 0.77 0.05 . . . . . . . 633 VAL HG2# . 25113 1 1969 . 1 . 1 309 309 VAL HG22 H 1 0.77 0.05 . . . . . . . 633 VAL HG2# . 25113 1 1970 . 1 . 1 309 309 VAL HG23 H 1 0.77 0.05 . . . . . . . 633 VAL HG2# . 25113 1 1971 . 1 . 1 309 309 VAL C C 13 173.70 0.08 . 1 . . . . . 633 VAL C . 25113 1 1972 . 1 . 1 309 309 VAL CA C 13 58.68 0.08 . 1 . . . . . 633 VAL CA . 25113 1 1973 . 1 . 1 309 309 VAL CB C 13 33.54 0.08 . 1 . . . . . 633 VAL CB . 25113 1 1974 . 1 . 1 309 309 VAL CG1 C 13 20.43 0.08 . 2 . . . . . 633 VAL CG1 . 25113 1 1975 . 1 . 1 309 309 VAL CG2 C 13 21.07 0.08 . 2 . . . . . 633 VAL CG2 . 25113 1 1976 . 1 . 1 309 309 VAL N N 15 126.72 0.12 . 1 . . . . . 633 VAL N . 25113 1 1977 . 1 . 1 310 310 LYS H H 1 8.08 0.05 . 1 . . . . . 634 LYS H . 25113 1 1978 . 1 . 1 310 310 LYS HA H 1 4.19 0.05 . 1 . . . . . 634 LYS HA . 25113 1 1979 . 1 . 1 310 310 LYS C C 13 175.05 0.08 . 1 . . . . . 634 LYS C . 25113 1 1980 . 1 . 1 310 310 LYS CA C 13 53.98 0.08 . 1 . . . . . 634 LYS CA . 25113 1 1981 . 1 . 1 310 310 LYS CB C 13 32.35 0.08 . 1 . . . . . 634 LYS CB . 25113 1 1982 . 1 . 1 310 310 LYS N N 15 125.48 0.12 . 1 . . . . . 634 LYS N . 25113 1 1983 . 1 . 1 311 311 VAL H H 1 8.62 0.05 . 1 . . . . . 635 VAL H . 25113 1 1984 . 1 . 1 311 311 VAL HA H 1 5.00 0.05 . 1 . . . . . 635 VAL HA . 25113 1 1985 . 1 . 1 311 311 VAL HB H 1 1.46 0.05 . 1 . . . . . 635 VAL HB . 25113 1 1986 . 1 . 1 311 311 VAL HG11 H 1 0.01 0.05 . . . . . . . 635 VAL HG1# . 25113 1 1987 . 1 . 1 311 311 VAL HG12 H 1 0.01 0.05 . . . . . . . 635 VAL HG1# . 25113 1 1988 . 1 . 1 311 311 VAL HG13 H 1 0.01 0.05 . . . . . . . 635 VAL HG1# . 25113 1 1989 . 1 . 1 311 311 VAL HG21 H 1 0.25 0.05 . . . . . . . 635 VAL HG2# . 25113 1 1990 . 1 . 1 311 311 VAL HG22 H 1 0.25 0.05 . . . . . . . 635 VAL HG2# . 25113 1 1991 . 1 . 1 311 311 VAL HG23 H 1 0.25 0.05 . . . . . . . 635 VAL HG2# . 25113 1 1992 . 1 . 1 311 311 VAL C C 13 174.60 0.08 . 1 . . . . . 635 VAL C . 25113 1 1993 . 1 . 1 311 311 VAL CA C 13 58.08 0.08 . 1 . . . . . 635 VAL CA . 25113 1 1994 . 1 . 1 311 311 VAL CB C 13 35.01 0.08 . 1 . . . . . 635 VAL CB . 25113 1 1995 . 1 . 1 311 311 VAL CG1 C 13 19.54 0.08 . 2 . . . . . 635 VAL CG1 . 25113 1 1996 . 1 . 1 311 311 VAL CG2 C 13 17.51 0.08 . 2 . . . . . 635 VAL CG2 . 25113 1 1997 . 1 . 1 311 311 VAL N N 15 119.30 0.12 . 1 . . . . . 635 VAL N . 25113 1 1998 . 1 . 1 312 312 VAL H H 1 8.82 0.05 . 1 . . . . . 636 VAL H . 25113 1 1999 . 1 . 1 312 312 VAL HA H 1 3.98 0.05 . 1 . . . . . 636 VAL HA . 25113 1 2000 . 1 . 1 312 312 VAL HB H 1 2.10 0.05 . 1 . . . . . 636 VAL HB . 25113 1 2001 . 1 . 1 312 312 VAL HG11 H 1 0.80 0.05 . . . . . . . 636 VAL HG1# . 25113 1 2002 . 1 . 1 312 312 VAL HG12 H 1 0.80 0.05 . . . . . . . 636 VAL HG1# . 25113 1 2003 . 1 . 1 312 312 VAL HG13 H 1 0.80 0.05 . . . . . . . 636 VAL HG1# . 25113 1 2004 . 1 . 1 312 312 VAL HG21 H 1 0.97 0.05 . . . . . . . 636 VAL HG2# . 25113 1 2005 . 1 . 1 312 312 VAL HG22 H 1 0.97 0.05 . . . . . . . 636 VAL HG2# . 25113 1 2006 . 1 . 1 312 312 VAL HG23 H 1 0.97 0.05 . . . . . . . 636 VAL HG2# . 25113 1 2007 . 1 . 1 312 312 VAL C C 13 174.84 0.08 . 1 . . . . . 636 VAL C . 25113 1 2008 . 1 . 1 312 312 VAL CA C 13 61.96 0.08 . 1 . . . . . 636 VAL CA . 25113 1 2009 . 1 . 1 312 312 VAL CB C 13 31.20 0.08 . 1 . . . . . 636 VAL CB . 25113 1 2010 . 1 . 1 312 312 VAL CG1 C 13 19.77 0.08 . 2 . . . . . 636 VAL CG1 . 25113 1 2011 . 1 . 1 312 312 VAL CG2 C 13 20.46 0.08 . 2 . . . . . 636 VAL CG2 . 25113 1 2012 . 1 . 1 312 312 VAL N N 15 123.24 0.12 . 1 . . . . . 636 VAL N . 25113 1 2013 . 1 . 1 313 313 VAL H H 1 8.07 0.05 . 1 . . . . . 637 VAL H . 25113 1 2014 . 1 . 1 313 313 VAL HA H 1 3.81 0.05 . 1 . . . . . 637 VAL HA . 25113 1 2015 . 1 . 1 313 313 VAL HB H 1 1.97 0.05 . 1 . . . . . 637 VAL HB . 25113 1 2016 . 1 . 1 313 313 VAL HG11 H 1 0.75 0.05 . . . . . . . 637 VAL HG1# . 25113 1 2017 . 1 . 1 313 313 VAL HG12 H 1 0.75 0.05 . . . . . . . 637 VAL HG1# . 25113 1 2018 . 1 . 1 313 313 VAL HG13 H 1 0.75 0.05 . . . . . . . 637 VAL HG1# . 25113 1 2019 . 1 . 1 313 313 VAL HG21 H 1 0.86 0.05 . . . . . . . 637 VAL HG2# . 25113 1 2020 . 1 . 1 313 313 VAL HG22 H 1 0.86 0.05 . . . . . . . 637 VAL HG2# . 25113 1 2021 . 1 . 1 313 313 VAL HG23 H 1 0.86 0.05 . . . . . . . 637 VAL HG2# . 25113 1 2022 . 1 . 1 313 313 VAL C C 13 176.50 0.08 . 1 . . . . . 637 VAL C . 25113 1 2023 . 1 . 1 313 313 VAL CA C 13 60.69 0.08 . 1 . . . . . 637 VAL CA . 25113 1 2024 . 1 . 1 313 313 VAL CB C 13 30.59 0.08 . 1 . . . . . 637 VAL CB . 25113 1 2025 . 1 . 1 313 313 VAL CG1 C 13 19.21 0.08 . 2 . . . . . 637 VAL CG1 . 25113 1 2026 . 1 . 1 313 313 VAL CG2 C 13 20.71 0.08 . 2 . . . . . 637 VAL CG2 . 25113 1 2027 . 1 . 1 313 313 VAL N N 15 126.12 0.12 . 1 . . . . . 637 VAL N . 25113 1 2028 . 1 . 1 314 314 ALA H H 1 8.14 0.05 . 1 . . . . . 638 ALA H . 25113 1 2029 . 1 . 1 314 314 ALA HA H 1 4.01 0.05 . 1 . . . . . 638 ALA HA . 25113 1 2030 . 1 . 1 314 314 ALA HB1 H 1 1.31 0.05 . . . . . . . 638 ALA HB# . 25113 1 2031 . 1 . 1 314 314 ALA HB2 H 1 1.31 0.05 . . . . . . . 638 ALA HB# . 25113 1 2032 . 1 . 1 314 314 ALA HB3 H 1 1.31 0.05 . . . . . . . 638 ALA HB# . 25113 1 2033 . 1 . 1 314 314 ALA C C 13 178.58 0.08 . 1 . . . . . 638 ALA C . 25113 1 2034 . 1 . 1 314 314 ALA CA C 13 53.48 0.08 . 1 . . . . . 638 ALA CA . 25113 1 2035 . 1 . 1 314 314 ALA CB C 13 17.68 0.08 . 1 . . . . . 638 ALA CB . 25113 1 2036 . 1 . 1 314 314 ALA N N 15 129.11 0.12 . 1 . . . . . 638 ALA N . 25113 1 2037 . 1 . 1 315 315 ASN H H 1 8.29 0.05 . 1 . . . . . 639 ASN H . 25113 1 2038 . 1 . 1 315 315 ASN HA H 1 4.52 0.05 . 1 . . . . . 639 ASN HA . 25113 1 2039 . 1 . 1 315 315 ASN HB2 H 1 2.80 0.05 . 2 . . . . . 639 ASN HB2 . 25113 1 2040 . 1 . 1 315 315 ASN HB3 H 1 2.80 0.05 . 2 . . . . . 639 ASN HB3 . 25113 1 2041 . 1 . 1 315 315 ASN C C 13 175.48 0.08 . 1 . . . . . 639 ASN C . 25113 1 2042 . 1 . 1 315 315 ASN CA C 13 53.98 0.08 . 1 . . . . . 639 ASN CA . 25113 1 2043 . 1 . 1 315 315 ASN CB C 13 37.06 0.08 . 1 . . . . . 639 ASN CB . 25113 1 2044 . 1 . 1 315 315 ASN N N 15 114.47 0.12 . 1 . . . . . 639 ASN N . 25113 1 2045 . 1 . 1 316 316 ILE H H 1 7.60 0.05 . 1 . . . . . 640 ILE H . 25113 1 2046 . 1 . 1 316 316 ILE HA H 1 4.29 0.05 . 1 . . . . . 640 ILE HA . 25113 1 2047 . 1 . 1 316 316 ILE HB H 1 1.94 0.05 . 1 . . . . . 640 ILE HB . 25113 1 2048 . 1 . 1 316 316 ILE HG12 H 1 1.36 0.05 . 2 . . . . . 640 ILE HG12 . 25113 1 2049 . 1 . 1 316 316 ILE HG13 H 1 1.36 0.05 . 2 . . . . . 640 ILE HG13 . 25113 1 2050 . 1 . 1 316 316 ILE HG21 H 1 0.86 0.05 . . . . . . . 640 ILE HG2# . 25113 1 2051 . 1 . 1 316 316 ILE HG22 H 1 0.86 0.05 . . . . . . . 640 ILE HG2# . 25113 1 2052 . 1 . 1 316 316 ILE HG23 H 1 0.86 0.05 . . . . . . . 640 ILE HG2# . 25113 1 2053 . 1 . 1 316 316 ILE HD11 H 1 0.80 0.05 . . . . . . . 640 ILE HD1# . 25113 1 2054 . 1 . 1 316 316 ILE HD12 H 1 0.80 0.05 . . . . . . . 640 ILE HD1# . 25113 1 2055 . 1 . 1 316 316 ILE HD13 H 1 0.80 0.05 . . . . . . . 640 ILE HD1# . 25113 1 2056 . 1 . 1 316 316 ILE C C 13 176.67 0.08 . 1 . . . . . 640 ILE C . 25113 1 2057 . 1 . 1 316 316 ILE CA C 13 60.61 0.08 . 1 . . . . . 640 ILE CA . 25113 1 2058 . 1 . 1 316 316 ILE CB C 13 37.55 0.08 . 1 . . . . . 640 ILE CB . 25113 1 2059 . 1 . 1 316 316 ILE CG1 C 13 25.83 0.08 . 1 . . . . . 640 ILE CG1 . 25113 1 2060 . 1 . 1 316 316 ILE CG2 C 13 16.17 0.08 . 1 . . . . . 640 ILE CG2 . 25113 1 2061 . 1 . 1 316 316 ILE CD1 C 13 11.96 0.08 . 1 . . . . . 640 ILE CD1 . 25113 1 2062 . 1 . 1 316 316 ILE N N 15 116.19 0.12 . 1 . . . . . 640 ILE N . 25113 1 2063 . 1 . 1 317 317 GLY H H 1 8.20 0.05 . 1 . . . . . 641 GLY H . 25113 1 2064 . 1 . 1 317 317 GLY HA2 H 1 3.77 0.05 . 2 . . . . . 641 GLY HA2 . 25113 1 2065 . 1 . 1 317 317 GLY HA3 H 1 4.01 0.05 . 2 . . . . . 641 GLY HA3 . 25113 1 2066 . 1 . 1 317 317 GLY C C 13 173.58 0.08 . 1 . . . . . 641 GLY C . 25113 1 2067 . 1 . 1 317 317 GLY CA C 13 45.13 0.08 . 1 . . . . . 641 GLY CA . 25113 1 2068 . 1 . 1 317 317 GLY N N 15 111.51 0.12 . 1 . . . . . 641 GLY N . 25113 1 2069 . 1 . 1 318 318 ALA H H 1 7.43 0.05 . 1 . . . . . 642 ALA H . 25113 1 2070 . 1 . 1 318 318 ALA HA H 1 4.53 0.05 . 1 . . . . . 642 ALA HA . 25113 1 2071 . 1 . 1 318 318 ALA HB1 H 1 1.31 0.05 . . . . . . . 642 ALA HB# . 25113 1 2072 . 1 . 1 318 318 ALA HB2 H 1 1.31 0.05 . . . . . . . 642 ALA HB# . 25113 1 2073 . 1 . 1 318 318 ALA HB3 H 1 1.31 0.05 . . . . . . . 642 ALA HB# . 25113 1 2074 . 1 . 1 318 318 ALA C C 13 176.25 0.08 . 1 . . . . . 642 ALA C . 25113 1 2075 . 1 . 1 318 318 ALA CA C 13 50.48 0.08 . 1 . . . . . 642 ALA CA . 25113 1 2076 . 1 . 1 318 318 ALA CB C 13 19.46 0.08 . 1 . . . . . 642 ALA CB . 25113 1 2077 . 1 . 1 318 318 ALA N N 15 121.81 0.12 . 1 . . . . . 642 ALA N . 25113 1 2078 . 1 . 1 319 319 GLU H H 1 8.37 0.05 . 1 . . . . . 643 GLU H . 25113 1 2079 . 1 . 1 319 319 GLU HA H 1 4.54 0.05 . 1 . . . . . 643 GLU HA . 25113 1 2080 . 1 . 1 319 319 GLU HB2 H 1 1.89 0.05 . . . . . . . 643 GLU HB2 . 25113 1 2081 . 1 . 1 319 319 GLU HB3 H 1 1.89 0.05 . . . . . . . 643 GLU HB3 . 25113 1 2082 . 1 . 1 319 319 GLU HG2 H 1 2.08 0.05 . 2 . . . . . 643 GLU HG2 . 25113 1 2083 . 1 . 1 319 319 GLU C C 13 176.02 0.08 . 1 . . . . . 643 GLU C . 25113 1 2084 . 1 . 1 319 319 GLU CA C 13 55.16 0.08 . 1 . . . . . 643 GLU CA . 25113 1 2085 . 1 . 1 319 319 GLU CB C 13 29.63 0.08 . 1 . . . . . 643 GLU CB . 25113 1 2086 . 1 . 1 319 319 GLU CG C 13 35.35 0.08 . 1 . . . . . 643 GLU CG . 25113 1 2087 . 1 . 1 319 319 GLU N N 15 120.75 0.12 . 1 . . . . . 643 GLU N . 25113 1 2088 . 1 . 1 320 320 GLY H H 1 8.55 0.05 . 1 . . . . . 644 GLY H . 25113 1 2089 . 1 . 1 320 320 GLY HA2 H 1 3.48 0.05 . 2 . . . . . 644 GLY HA2 . 25113 1 2090 . 1 . 1 320 320 GLY HA3 H 1 4.07 0.05 . 2 . . . . . 644 GLY HA3 . 25113 1 2091 . 1 . 1 320 320 GLY C C 13 172.08 0.08 . 1 . . . . . 644 GLY C . 25113 1 2092 . 1 . 1 320 320 GLY CA C 13 44.02 0.08 . 1 . . . . . 644 GLY CA . 25113 1 2093 . 1 . 1 320 320 GLY N N 15 110.44 0.12 . 1 . . . . . 644 GLY N . 25113 1 2094 . 1 . 1 321 321 GLN H H 1 7.21 0.05 . 1 . . . . . 645 GLN H . 25113 1 2095 . 1 . 1 321 321 GLN HA H 1 5.13 0.05 . 1 . . . . . 645 GLN HA . 25113 1 2096 . 1 . 1 321 321 GLN C C 13 174.37 0.08 . 1 . . . . . 645 GLN C . 25113 1 2097 . 1 . 1 321 321 GLN CA C 13 53.94 0.08 . 1 . . . . . 645 GLN CA . 25113 1 2098 . 1 . 1 321 321 GLN CB C 13 27.63 0.08 . 1 . . . . . 645 GLN CB . 25113 1 2099 . 1 . 1 321 321 GLN N N 15 117.88 0.12 . 1 . . . . . 645 GLN N . 25113 1 2100 . 1 . 1 322 322 TYR H H 1 9.21 0.05 . 1 . . . . . 646 TYR H . 25113 1 2101 . 1 . 1 322 322 TYR HA H 1 5.31 0.05 . 1 . . . . . 646 TYR HA . 25113 1 2102 . 1 . 1 322 322 TYR C C 13 174.79 0.08 . 1 . . . . . 646 TYR C . 25113 1 2103 . 1 . 1 322 322 TYR CA C 13 55.74 0.08 . 1 . . . . . 646 TYR CA . 25113 1 2104 . 1 . 1 322 322 TYR CB C 13 40.52 0.08 . 1 . . . . . 646 TYR CB . 25113 1 2105 . 1 . 1 322 322 TYR N N 15 122.21 0.12 . 1 . . . . . 646 TYR N . 25113 1 2106 . 1 . 1 323 323 HIS H H 1 8.84 0.05 . 1 . . . . . 647 HIS H . 25113 1 2107 . 1 . 1 323 323 HIS HA H 1 4.77 0.05 . 1 . . . . . 647 HIS HA . 25113 1 2108 . 1 . 1 323 323 HIS C C 13 174.51 0.08 . 1 . . . . . 647 HIS C . 25113 1 2109 . 1 . 1 323 323 HIS CA C 13 55.10 0.08 . 1 . . . . . 647 HIS CA . 25113 1 2110 . 1 . 1 323 323 HIS CB C 13 31.14 0.08 . 1 . . . . . 647 HIS CB . 25113 1 2111 . 1 . 1 323 323 HIS N N 15 124.11 0.12 . 1 . . . . . 647 HIS N . 25113 1 2112 . 1 . 1 324 324 VAL H H 1 8.86 0.05 . 1 . . . . . 648 VAL H . 25113 1 2113 . 1 . 1 324 324 VAL HA H 1 4.88 0.05 . 1 . . . . . 648 VAL HA . 25113 1 2114 . 1 . 1 324 324 VAL HB H 1 2.14 0.05 . 1 . . . . . 648 VAL HB . 25113 1 2115 . 1 . 1 324 324 VAL HG11 H 1 0.70 0.05 . . . . . . . 648 VAL HG1# . 25113 1 2116 . 1 . 1 324 324 VAL HG12 H 1 0.70 0.05 . . . . . . . 648 VAL HG1# . 25113 1 2117 . 1 . 1 324 324 VAL HG13 H 1 0.70 0.05 . . . . . . . 648 VAL HG1# . 25113 1 2118 . 1 . 1 324 324 VAL HG21 H 1 0.55 0.05 . . . . . . . 648 VAL HG2# . 25113 1 2119 . 1 . 1 324 324 VAL HG22 H 1 0.55 0.05 . . . . . . . 648 VAL HG2# . 25113 1 2120 . 1 . 1 324 324 VAL HG23 H 1 0.55 0.05 . . . . . . . 648 VAL HG2# . 25113 1 2121 . 1 . 1 324 324 VAL C C 13 172.99 0.08 . 1 . . . . . 648 VAL C . 25113 1 2122 . 1 . 1 324 324 VAL CA C 13 57.54 0.08 . 1 . . . . . 648 VAL CA . 25113 1 2123 . 1 . 1 324 324 VAL CB C 13 34.15 0.08 . 1 . . . . . 648 VAL CB . 25113 1 2124 . 1 . 1 324 324 VAL CG1 C 13 21.07 0.08 . 2 . . . . . 648 VAL CG1 . 25113 1 2125 . 1 . 1 324 324 VAL CG2 C 13 17.90 0.08 . 2 . . . . . 648 VAL CG2 . 25113 1 2126 . 1 . 1 324 324 VAL N N 15 120.50 0.12 . 1 . . . . . 648 VAL N . 25113 1 2127 . 1 . 1 325 325 ARG H H 1 8.18 0.05 . 1 . . . . . 649 ARG H . 25113 1 2128 . 1 . 1 325 325 ARG C C 13 174.47 0.08 . 1 . . . . . 649 ARG C . 25113 1 2129 . 1 . 1 325 325 ARG CA C 13 53.35 0.08 . 1 . . . . . 649 ARG CA . 25113 1 2130 . 1 . 1 325 325 ARG CB C 13 31.03 0.08 . 1 . . . . . 649 ARG CB . 25113 1 2131 . 1 . 1 325 325 ARG N N 15 118.15 0.12 . 1 . . . . . 649 ARG N . 25113 1 2132 . 1 . 1 326 326 ILE H H 1 9.48 0.05 . 1 . . . . . 650 ILE H . 25113 1 2133 . 1 . 1 326 326 ILE HB H 1 1.93 0.05 . 1 . . . . . 650 ILE HB . 25113 1 2134 . 1 . 1 326 326 ILE HG12 H 1 1.42 0.05 . 2 . . . . . 650 ILE HG12 . 25113 1 2135 . 1 . 1 326 326 ILE HG13 H 1 1.42 0.05 . 2 . . . . . 650 ILE HG13 . 25113 1 2136 . 1 . 1 326 326 ILE HG21 H 1 0.86 0.05 . . . . . . . 650 ILE HG2# . 25113 1 2137 . 1 . 1 326 326 ILE HG22 H 1 0.86 0.05 . . . . . . . 650 ILE HG2# . 25113 1 2138 . 1 . 1 326 326 ILE HG23 H 1 0.86 0.05 . . . . . . . 650 ILE HG2# . 25113 1 2139 . 1 . 1 326 326 ILE HD11 H 1 0.64 0.05 . . . . . . . 650 ILE HD1# . 25113 1 2140 . 1 . 1 326 326 ILE HD12 H 1 0.64 0.05 . . . . . . . 650 ILE HD1# . 25113 1 2141 . 1 . 1 326 326 ILE HD13 H 1 0.64 0.05 . . . . . . . 650 ILE HD1# . 25113 1 2142 . 1 . 1 326 326 ILE C C 13 175.25 0.08 . 1 . . . . . 650 ILE C . 25113 1 2143 . 1 . 1 326 326 ILE CA C 13 61.00 0.08 . 1 . . . . . 650 ILE CA . 25113 1 2144 . 1 . 1 326 326 ILE CB C 13 37.13 0.08 . 1 . . . . . 650 ILE CB . 25113 1 2145 . 1 . 1 326 326 ILE CG1 C 13 25.34 0.08 . 1 . . . . . 650 ILE CG1 . 25113 1 2146 . 1 . 1 326 326 ILE CG2 C 13 16.78 0.08 . 1 . . . . . 650 ILE CG2 . 25113 1 2147 . 1 . 1 326 326 ILE CD1 C 13 12.26 0.08 . 1 . . . . . 650 ILE CD1 . 25113 1 2148 . 1 . 1 326 326 ILE N N 15 127.21 0.12 . 1 . . . . . 650 ILE N . 25113 1 2149 . 1 . 1 327 327 ILE H H 1 9.22 0.05 . 1 . . . . . 651 ILE H . 25113 1 2150 . 1 . 1 327 327 ILE HA H 1 4.95 0.05 . 1 . . . . . 651 ILE HA . 25113 1 2151 . 1 . 1 327 327 ILE HB H 1 1.50 0.05 . 1 . . . . . 651 ILE HB . 25113 1 2152 . 1 . 1 327 327 ILE HG21 H 1 0.46 0.05 . . . . . . . 651 ILE HG2# . 25113 1 2153 . 1 . 1 327 327 ILE HG22 H 1 0.46 0.05 . . . . . . . 651 ILE HG2# . 25113 1 2154 . 1 . 1 327 327 ILE HG23 H 1 0.46 0.05 . . . . . . . 651 ILE HG2# . 25113 1 2155 . 1 . 1 327 327 ILE HD11 H 1 0.47 0.05 . . . . . . . 651 ILE HD1# . 25113 1 2156 . 1 . 1 327 327 ILE HD12 H 1 0.47 0.05 . . . . . . . 651 ILE HD1# . 25113 1 2157 . 1 . 1 327 327 ILE HD13 H 1 0.47 0.05 . . . . . . . 651 ILE HD1# . 25113 1 2158 . 1 . 1 327 327 ILE C C 13 175.47 0.08 . 1 . . . . . 651 ILE C . 25113 1 2159 . 1 . 1 327 327 ILE CA C 13 58.68 0.08 . 1 . . . . . 651 ILE CA . 25113 1 2160 . 1 . 1 327 327 ILE CB C 13 37.92 0.08 . 1 . . . . . 651 ILE CB . 25113 1 2161 . 1 . 1 327 327 ILE CG2 C 13 15.04 0.08 . 1 . . . . . 651 ILE CG2 . 25113 1 2162 . 1 . 1 327 327 ILE CD1 C 13 11.77 0.08 . 1 . . . . . 651 ILE CD1 . 25113 1 2163 . 1 . 1 327 327 ILE N N 15 129.53 0.12 . 1 . . . . . 651 ILE N . 25113 1 2164 . 1 . 1 328 328 ASN H H 1 8.97 0.05 . 1 . . . . . 652 ASN H . 25113 1 2165 . 1 . 1 328 328 ASN C C 13 176.41 0.08 . 1 . . . . . 652 ASN C . 25113 1 2166 . 1 . 1 328 328 ASN CA C 13 50.55 0.08 . 1 . . . . . 652 ASN CA . 25113 1 2167 . 1 . 1 328 328 ASN CB C 13 37.15 0.08 . 1 . . . . . 652 ASN CB . 25113 1 2168 . 1 . 1 328 328 ASN N N 15 123.78 0.12 . 1 . . . . . 652 ASN N . 25113 1 2169 . 1 . 1 329 329 GLN H H 1 8.85 0.05 . 1 . . . . . 653 GLN H . 25113 1 2170 . 1 . 1 329 329 GLN C C 13 176.59 0.08 . 1 . . . . . 653 GLN C . 25113 1 2171 . 1 . 1 329 329 GLN CA C 13 56.37 0.08 . 1 . . . . . 653 GLN CA . 25113 1 2172 . 1 . 1 329 329 GLN CB C 13 28.24 0.08 . 1 . . . . . 653 GLN CB . 25113 1 2173 . 1 . 1 329 329 GLN N N 15 124.63 0.12 . 1 . . . . . 653 GLN N . 25113 1 2174 . 1 . 1 330 330 ASP H H 1 8.12 0.05 . 1 . . . . . 654 ASP H . 25113 1 2175 . 1 . 1 330 330 ASP HA H 1 4.63 0.05 . 1 . . . . . 654 ASP HA . 25113 1 2176 . 1 . 1 330 330 ASP C C 13 175.96 0.08 . 1 . . . . . 654 ASP C . 25113 1 2177 . 1 . 1 330 330 ASP CA C 13 54.55 0.08 . 1 . . . . . 654 ASP CA . 25113 1 2178 . 1 . 1 330 330 ASP CB C 13 39.58 0.08 . 1 . . . . . 654 ASP CB . 25113 1 2179 . 1 . 1 330 330 ASP N N 15 116.89 0.12 . 1 . . . . . 654 ASP N . 25113 1 2180 . 1 . 1 331 331 ILE H H 1 6.87 0.05 . 1 . . . . . 655 ILE H . 25113 1 2181 . 1 . 1 331 331 ILE HA H 1 4.13 0.05 . 1 . . . . . 655 ILE HA . 25113 1 2182 . 1 . 1 331 331 ILE HB H 1 1.76 0.05 . 1 . . . . . 655 ILE HB . 25113 1 2183 . 1 . 1 331 331 ILE HG12 H 1 1.09 0.05 . 2 . . . . . 655 ILE HG12 . 25113 1 2184 . 1 . 1 331 331 ILE HG13 H 1 1.14 0.05 . 2 . . . . . 655 ILE HG13 . 25113 1 2185 . 1 . 1 331 331 ILE HG21 H 1 0.75 0.05 . . . . . . . 655 ILE HG2# . 25113 1 2186 . 1 . 1 331 331 ILE HG22 H 1 0.75 0.05 . . . . . . . 655 ILE HG2# . 25113 1 2187 . 1 . 1 331 331 ILE HG23 H 1 0.75 0.05 . . . . . . . 655 ILE HG2# . 25113 1 2188 . 1 . 1 331 331 ILE HD11 H 1 0.65 0.05 . . . . . . . 655 ILE HD1# . 25113 1 2189 . 1 . 1 331 331 ILE HD12 H 1 0.65 0.05 . . . . . . . 655 ILE HD1# . 25113 1 2190 . 1 . 1 331 331 ILE HD13 H 1 0.65 0.05 . . . . . . . 655 ILE HD1# . 25113 1 2191 . 1 . 1 331 331 ILE C C 13 175.22 0.08 . 1 . . . . . 655 ILE C . 25113 1 2192 . 1 . 1 331 331 ILE CA C 13 58.79 0.08 . 1 . . . . . 655 ILE CA . 25113 1 2193 . 1 . 1 331 331 ILE CB C 13 36.02 0.08 . 1 . . . . . 655 ILE CB . 25113 1 2194 . 1 . 1 331 331 ILE CG1 C 13 25.39 0.08 . 1 . . . . . 655 ILE CG1 . 25113 1 2195 . 1 . 1 331 331 ILE CG2 C 13 16.06 0.08 . 1 . . . . . 655 ILE CG2 . 25113 1 2196 . 1 . 1 331 331 ILE CD1 C 13 9.98 0.08 . 1 . . . . . 655 ILE CD1 . 25113 1 2197 . 1 . 1 331 331 ILE N N 15 119.25 0.12 . 1 . . . . . 655 ILE N . 25113 1 2198 . 1 . 1 332 332 ASN H H 1 8.44 0.05 . 1 . . . . . 656 ASN H . 25113 1 2199 . 1 . 1 332 332 ASN HA H 1 4.68 0.05 . 1 . . . . . 656 ASN HA . 25113 1 2200 . 1 . 1 332 332 ASN C C 13 175.11 0.08 . 1 . . . . . 656 ASN C . 25113 1 2201 . 1 . 1 332 332 ASN CA C 13 52.47 0.08 . 1 . . . . . 656 ASN CA . 25113 1 2202 . 1 . 1 332 332 ASN CB C 13 38.19 0.08 . 1 . . . . . 656 ASN CB . 25113 1 2203 . 1 . 1 332 332 ASN N N 15 124.42 0.12 . 1 . . . . . 656 ASN N . 25113 1 2204 . 1 . 1 333 333 THR H H 1 8.09 0.05 . 1 . . . . . 657 THR H . 25113 1 2205 . 1 . 1 333 333 THR HA H 1 4.27 0.05 . 1 . . . . . 657 THR HA . 25113 1 2206 . 1 . 1 333 333 THR C C 13 174.16 0.08 . 1 . . . . . 657 THR C . 25113 1 2207 . 1 . 1 333 333 THR CA C 13 60.90 0.08 . 1 . . . . . 657 THR CA . 25113 1 2208 . 1 . 1 333 333 THR CB C 13 68.67 0.08 . 1 . . . . . 657 THR CB . 25113 1 2209 . 1 . 1 333 333 THR N N 15 115.77 0.12 . 1 . . . . . 657 THR N . 25113 1 2210 . 1 . 1 334 334 LYS H H 1 8.21 0.05 . 1 . . . . . 658 LYS H . 25113 1 2211 . 1 . 1 334 334 LYS HA H 1 4.28 0.05 . 1 . . . . . 658 LYS HA . 25113 1 2212 . 1 . 1 334 334 LYS C C 13 175.92 0.08 . 1 . . . . . 658 LYS C . 25113 1 2213 . 1 . 1 334 334 LYS CA C 13 55.21 0.08 . 1 . . . . . 658 LYS CA . 25113 1 2214 . 1 . 1 334 334 LYS CB C 13 31.77 0.08 . 1 . . . . . 658 LYS CB . 25113 1 2215 . 1 . 1 334 334 LYS N N 15 123.72 0.12 . 1 . . . . . 658 LYS N . 25113 1 2216 . 1 . 1 335 335 ASP H H 1 8.34 0.05 . 1 . . . . . 659 ASP H . 25113 1 2217 . 1 . 1 335 335 ASP HA H 1 4.59 0.05 . 1 . . . . . 659 ASP HA . 25113 1 2218 . 1 . 1 335 335 ASP C C 13 174.89 0.08 . 1 . . . . . 659 ASP C . 25113 1 2219 . 1 . 1 335 335 ASP CA C 13 53.45 0.08 . 1 . . . . . 659 ASP CA . 25113 1 2220 . 1 . 1 335 335 ASP CB C 13 40.42 0.08 . 1 . . . . . 659 ASP CB . 25113 1 2221 . 1 . 1 335 335 ASP N N 15 122.98 0.12 . 1 . . . . . 659 ASP N . 25113 1 2222 . 1 . 1 336 336 ASP H H 1 7.89 0.05 . 1 . . . . . 660 ASP H . 25113 1 2223 . 1 . 1 336 336 ASP HA H 1 4.27 0.05 . 1 . . . . . 660 ASP HA . 25113 1 2224 . 1 . 1 336 336 ASP C C 13 180.70 0.08 . 1 . . . . . 660 ASP C . 25113 1 2225 . 1 . 1 336 336 ASP CA C 13 54.88 0.08 . 1 . . . . . 660 ASP CA . 25113 1 2226 . 1 . 1 336 336 ASP CB C 13 41.06 0.08 . 1 . . . . . 660 ASP CB . 25113 1 2227 . 1 . 1 336 336 ASP N N 15 126.29 0.12 . 1 . . . . . 660 ASP N . 25113 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_2 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_2 _RDC_list.Entry_ID 25113 _RDC_list.ID 1 _RDC_list.Name . _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 1 '2D 1H-15N HSQC' . . . 25113 1 23 '2D 1H-15N HSQC' . . . 25113 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DNH . 1 1 7 7 GLN N N 15 . . 1 1 7 7 GLN H H 1 . 1.81 . . . . . . 1 331 GLN N 1 331 GLN H 25113 1 2 DNH . 1 1 10 10 ILE N N 15 . . 1 1 10 10 ILE H H 1 . -3.89 . . . . . . 1 334 ILE N 1 334 ILE H 25113 1 3 DNH . 1 1 11 11 LYS N N 15 . . 1 1 11 11 LYS H H 1 . -2.53 . . . . . . 1 335 LYS N 1 335 LYS H 25113 1 4 DNH . 1 1 15 15 ILE N N 15 . . 1 1 15 15 ILE H H 1 . 2.4 . . . . . . 1 339 ILE N 1 339 ILE H 25113 1 5 DNH . 1 1 16 16 ILE N N 15 . . 1 1 16 16 ILE H H 1 . 13.66 . . . . . . 1 340 ILE N 1 340 ILE H 25113 1 6 DNH . 1 1 17 17 ASP N N 15 . . 1 1 17 17 ASP H H 1 . -2.59 . . . . . . 1 341 ASP N 1 341 ASP H 25113 1 7 DNH . 1 1 18 18 LYS N N 15 . . 1 1 18 18 LYS H H 1 . -5.75 . . . . . . 1 342 LYS N 1 342 LYS H 25113 1 8 DNH . 1 1 19 19 GLU N N 15 . . 1 1 19 19 GLU H H 1 . 7.93 . . . . . . 1 343 GLU N 1 343 GLU H 25113 1 9 DNH . 1 1 24 24 ASN N N 15 . . 1 1 24 24 ASN H H 1 . 0.43 . . . . . . 1 348 ASN N 1 348 ASN H 25113 1 10 DNH . 1 1 25 25 TRP N N 15 . . 1 1 25 25 TRP H H 1 . -3.64 . . . . . . 1 349 TRP N 1 349 TRP H 25113 1 11 DNH . 1 1 29 29 ASP N N 15 . . 1 1 29 29 ASP H H 1 . 8.91 . . . . . . 1 353 ASP N 1 353 ASP H 25113 1 12 DNH . 1 1 30 30 PHE N N 15 . . 1 1 30 30 PHE H H 1 . -19.44 . . . . . . 1 354 PHE N 1 354 PHE H 25113 1 13 DNH . 1 1 31 31 GLN N N 15 . . 1 1 31 31 GLN H H 1 . -12.33 . . . . . . 1 355 GLN N 1 355 GLN H 25113 1 14 DNH . 1 1 36 36 LYS N N 15 . . 1 1 36 36 LYS H H 1 . -0.81 . . . . . . 1 360 LYS N 1 360 LYS H 25113 1 15 DNH . 1 1 37 37 GLY N N 15 . . 1 1 37 37 GLY H H 1 . 4.89 . . . . . . 1 361 GLY N 1 361 GLY H 25113 1 16 DNH . 1 1 48 48 VAL N N 15 . . 1 1 48 48 VAL H H 1 . 1.67 . . . . . . 1 372 VAL N 1 372 VAL H 25113 1 17 DNH . 1 1 52 52 THR N N 15 . . 1 1 52 52 THR H H 1 . 8.02 . . . . . . 1 376 THR N 1 376 THR H 25113 1 18 DNH . 1 1 55 55 PHE N N 15 . . 1 1 55 55 PHE H H 1 . -9.16 . . . . . . 1 379 PHE N 1 379 PHE H 25113 1 19 DNH . 1 1 58 58 THR N N 15 . . 1 1 58 58 THR H H 1 . -3.17 . . . . . . 1 382 THR N 1 382 THR H 25113 1 20 DNH . 1 1 59 59 GLY N N 15 . . 1 1 59 59 GLY H H 1 . -0.24 . . . . . . 1 383 GLY N 1 383 GLY H 25113 1 21 DNH . 1 1 63 63 GLU N N 15 . . 1 1 63 63 GLU H H 1 . 10.76 . . . . . . 1 387 GLU N 1 387 GLU H 25113 1 22 DNH . 1 1 64 64 LEU N N 15 . . 1 1 64 64 LEU H H 1 . 7.58 . . . . . . 1 388 LEU N 1 388 LEU H 25113 1 23 DNH . 1 1 68 68 THR N N 15 . . 1 1 68 68 THR H H 1 . -3.91 . . . . . . 1 392 THR N 1 392 THR H 25113 1 24 DNH . 1 1 76 76 GLU N N 15 . . 1 1 76 76 GLU H H 1 . -7.45 . . . . . . 1 400 GLU N 1 400 GLU H 25113 1 25 DNH . 1 1 78 78 TYR N N 15 . . 1 1 78 78 TYR H H 1 . -12.5 . . . . . . 1 402 TYR N 1 402 TYR H 25113 1 26 DNH . 1 1 80 80 GLY N N 15 . . 1 1 80 80 GLY H H 1 . -11.79 . . . . . . 1 404 GLY N 1 404 GLY H 25113 1 27 DNH . 1 1 81 81 ASP N N 15 . . 1 1 81 81 ASP H H 1 . -6.85 . . . . . . 1 405 ASP N 1 405 ASP H 25113 1 28 DNH . 1 1 82 82 LYS N N 15 . . 1 1 82 82 LYS H H 1 . 7.75 . . . . . . 1 406 LYS N 1 406 LYS H 25113 1 29 DNH . 1 1 83 83 LYS N N 15 . . 1 1 83 83 LYS H H 1 . -4.37 . . . . . . 1 407 LYS N 1 407 LYS H 25113 1 30 DNH . 1 1 86 86 VAL N N 15 . . 1 1 86 86 VAL H H 1 . 6.25 . . . . . . 1 410 VAL N 1 410 VAL H 25113 1 31 DNH . 1 1 87 87 GLU N N 15 . . 1 1 87 87 GLU H H 1 . 12.2 . . . . . . 1 411 GLU N 1 411 GLU H 25113 1 32 DNH . 1 1 90 90 SER N N 15 . . 1 1 90 90 SER H H 1 . 3.12 . . . . . . 1 414 SER N 1 414 SER H 25113 1 33 DNH . 1 1 91 91 TYR N N 15 . . 1 1 91 91 TYR H H 1 . 2.01 . . . . . . 1 415 TYR N 1 415 TYR H 25113 1 34 DNH . 1 1 92 92 ASP N N 15 . . 1 1 92 92 ASP H H 1 . 1.21 . . . . . . 1 416 ASP N 1 416 ASP H 25113 1 35 DNH . 1 1 94 94 ASP N N 15 . . 1 1 94 94 ASP H H 1 . -8.88 . . . . . . 1 418 ASP N 1 418 ASP H 25113 1 36 DNH . 1 1 96 96 ASP N N 15 . . 1 1 96 96 ASP H H 1 . -1.31 . . . . . . 1 420 ASP N 1 420 ASP H 25113 1 37 DNH . 1 1 101 101 ARG N N 15 . . 1 1 101 101 ARG H H 1 . 8.51 . . . . . . 1 425 ARG N 1 425 ARG H 25113 1 38 DNH . 1 1 104 104 VAL N N 15 . . 1 1 104 104 VAL H H 1 . -2.33 . . . . . . 1 428 VAL N 1 428 VAL H 25113 1 39 DNH . 1 1 105 105 SER N N 15 . . 1 1 105 105 SER H H 1 . -6.24 . . . . . . 1 429 SER N 1 429 SER H 25113 1 40 DNH . 1 1 107 107 GLY N N 15 . . 1 1 107 107 GLY H H 1 . -6.96 . . . . . . 1 431 GLY N 1 431 GLY H 25113 1 41 DNH . 1 1 110 110 GLU N N 15 . . 1 1 110 110 GLU H H 1 . -18.12 . . . . . . 1 434 GLU N 1 434 GLU H 25113 1 42 DNH . 1 1 120 120 GLY N N 15 . . 1 1 120 120 GLY H H 1 . -4.06 . . . . . . 1 444 GLY N 1 444 GLY H 25113 1 43 DNH . 1 1 122 122 ASN N N 15 . . 1 1 122 122 ASN H H 1 . -3.14 . . . . . . 1 446 ASN N 1 446 ASN H 25113 1 44 DNH . 1 1 133 133 VAL N N 15 . . 1 1 133 133 VAL H H 1 . -19.26 . . . . . . 1 457 VAL N 1 457 VAL H 25113 1 45 DNH . 1 1 134 134 PHE N N 15 . . 1 1 134 134 PHE H H 1 . -16.08 . . . . . . 1 458 PHE N 1 458 PHE H 25113 1 46 DNH . 1 1 221 221 THR N N 15 . . 1 1 221 221 THR H H 1 . -7.57 . . . . . . 1 545 THR N 1 545 THR H 25113 1 47 DNH . 1 1 223 223 LEU N N 15 . . 1 1 223 223 LEU H H 1 . 6.37 . . . . . . 1 547 LEU N 1 547 LEU H 25113 1 48 DNH . 1 1 227 227 HIS N N 15 . . 1 1 227 227 HIS H H 1 . -12.09 . . . . . . 1 551 GLN N 1 551 GLN H 25113 1 49 DNH . 1 1 231 231 PHE N N 15 . . 1 1 231 231 PHE H H 1 . -9.95 . . . . . . 1 555 PHE N 1 555 PHE H 25113 1 50 DNH . 1 1 237 237 SER N N 15 . . 1 1 237 237 SER H H 1 . -10.38 . . . . . . 1 561 SER N 1 561 SER H 25113 1 51 DNH . 1 1 239 239 SER N N 15 . . 1 1 239 239 SER H H 1 . 10.25 . . . . . . 1 563 SER N 1 563 SER H 25113 1 52 DNH . 1 1 240 240 VAL N N 15 . . 1 1 240 240 VAL H H 1 . 12.88 . . . . . . 1 564 VAL N 1 564 VAL H 25113 1 53 DNH . 1 1 244 244 PHE N N 15 . . 1 1 244 244 PHE H H 1 . -3.25 . . . . . . 1 568 PHE N 1 568 PHE H 25113 1 54 DNH . 1 1 246 246 GLU N N 15 . . 1 1 246 246 GLU H H 1 . -4.01 . . . . . . 1 570 GLU N 1 570 GLU H 25113 1 55 DNH . 1 1 251 251 THR N N 15 . . 1 1 251 251 THR H H 1 . 0.98 . . . . . . 1 575 THR N 1 575 THR H 25113 1 56 DNH . 1 1 254 254 LEU N N 15 . . 1 1 254 254 LEU H H 1 . 3.52 . . . . . . 1 578 LEU N 1 578 LEU H 25113 1 57 DNH . 1 1 256 256 GLY N N 15 . . 1 1 256 256 GLY H H 1 . -7.31 . . . . . . 1 580 GLY N 1 580 GLY H 25113 1 58 DNH . 1 1 277 277 GLY N N 15 . . 1 1 277 277 GLY H H 1 . -2.05 . . . . . . 1 601 GLY N 1 601 GLY H 25113 1 59 DNH . 1 1 278 278 LYS N N 15 . . 1 1 278 278 LYS H H 1 . -7.06 . . . . . . 1 602 LYS N 1 602 LYS H 25113 1 60 DNH . 1 1 279 279 ARG N N 15 . . 1 1 279 279 ARG H H 1 . -11.77 . . . . . . 1 603 ARG N 1 603 ARG H 25113 1 61 DNH . 1 1 285 285 LYS N N 15 . . 1 1 285 285 LYS H H 1 . 12.87 . . . . . . 1 609 LYS N 1 609 LYS H 25113 1 62 DNH . 1 1 290 290 ASN N N 15 . . 1 1 290 290 ASN H H 1 . 2.33 . . . . . . 1 614 ASN N 1 614 ASN H 25113 1 63 DNH . 1 1 295 295 ILE N N 15 . . 1 1 295 295 ILE H H 1 . -13.66 . . . . . . 1 619 ILE N 1 619 ILE H 25113 1 64 DNH . 1 1 299 299 ILE N N 15 . . 1 1 299 299 ILE H H 1 . 1.89 . . . . . . 1 623 ILE N 1 623 ILE H 25113 1 65 DNH . 1 1 302 302 LYS N N 15 . . 1 1 302 302 LYS H H 1 . 11.51 . . . . . . 1 626 LYS N 1 626 LYS H 25113 1 66 DNH . 1 1 303 303 ALA N N 15 . . 1 1 303 303 ALA H H 1 . -6.46 . . . . . . 1 627 ALA N 1 627 ALA H 25113 1 67 DNH . 1 1 305 305 TYR N N 15 . . 1 1 305 305 TYR H H 1 . -11.16 . . . . . . 1 629 TYR N 1 629 TYR H 25113 1 68 DNH . 1 1 306 306 ASN N N 15 . . 1 1 306 306 ASN H H 1 . -10.13 . . . . . . 1 630 ASN N 1 630 ASN H 25113 1 69 DNH . 1 1 326 326 ILE N N 15 . . 1 1 326 326 ILE H H 1 . -8.98 . . . . . . 1 650 ILE N 1 650 ILE H 25113 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 25113 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name . _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 24 '2D 1H-15N HSQC NOE with interleaved presat and no sat' . . . 25113 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 7 7 GLN N N 15 . 1 1 7 7 GLN H H 1 0.8306 0.0036 . . 1 331 GLN N 1 331 GLN H 25113 1 2 . 1 1 9 9 ALA N N 15 . 1 1 9 9 ALA H H 1 0.8078 0.0138 . . 1 333 ALA N 1 333 ALA H 25113 1 3 . 1 1 10 10 ILE N N 15 . 1 1 10 10 ILE H H 1 0.8872 0.0094 . . 1 334 ILE N 1 334 ILE H 25113 1 4 . 1 1 11 11 LYS N N 15 . 1 1 11 11 LYS H H 1 0.8535 0.0078 . . 1 335 LYS N 1 335 LYS H 25113 1 5 . 1 1 12 12 ASN N N 15 . 1 1 12 12 ASN H H 1 0.8413 0.0101 . . 1 336 ASN N 1 336 ASN H 25113 1 6 . 1 1 14 14 ALA N N 15 . 1 1 14 14 ALA H H 1 0.8601 0.0047 . . 1 338 ALA N 1 338 ALA H 25113 1 7 . 1 1 15 15 ILE N N 15 . 1 1 15 15 ILE H H 1 0.9048 0.0895 . . 1 339 ILE N 1 339 ILE H 25113 1 8 . 1 1 16 16 ILE N N 15 . 1 1 16 16 ILE H H 1 0.8688 0.0043 . . 1 340 ILE N 1 340 ILE H 25113 1 9 . 1 1 17 17 ASP N N 15 . 1 1 17 17 ASP H H 1 0.8789 0.0222 . . 1 341 ASP N 1 341 ASP H 25113 1 10 . 1 1 18 18 LYS N N 15 . 1 1 18 18 LYS H H 1 0.8616 0.0128 . . 1 342 LYS N 1 342 LYS H 25113 1 11 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.8227 0.0278 . . 1 343 GLU N 1 343 GLU H 25113 1 12 . 1 1 20 20 HIS N N 15 . 1 1 20 20 HIS H H 1 0.8058 0.0041 . . 1 344 HIS N 1 344 HIS H 25113 1 13 . 1 1 21 21 THR N N 15 . 1 1 21 21 THR H H 1 0.6685 0.0088 . . 1 345 THR N 1 345 THR H 25113 1 14 . 1 1 22 22 ALA N N 15 . 1 1 22 22 ALA H H 1 0.4168 0.0076 . . 1 346 ALA N 1 346 ALA H 25113 1 15 . 1 1 23 23 ASP N N 15 . 1 1 23 23 ASP H H 1 0.812 0.0022 . . 1 347 ASP N 1 347 ASP H 25113 1 16 . 1 1 24 24 ASN N N 15 . 1 1 24 24 ASN H H 1 0.7866 0.0019 . . 1 348 ASN N 1 348 ASN H 25113 1 17 . 1 1 25 25 TRP N N 15 . 1 1 25 25 TRP H H 1 0.8586 0.005 . . 1 349 TRP N 1 349 TRP H 25113 1 18 . 1 1 26 26 ARG N N 15 . 1 1 26 26 ARG H H 1 0.9252 0.01 . . 1 350 ARG N 1 350 ARG H 25113 1 19 . 1 1 28 28 ILE N N 15 . 1 1 28 28 ILE H H 1 0.8822 0.0004 . . 1 352 ILE N 1 352 ILE H 25113 1 20 . 1 1 29 29 ASP N N 15 . 1 1 29 29 ASP H H 1 0.9067 0.0105 . . 1 353 ASP N 1 353 ASP H 25113 1 21 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.8912 0 . . 1 354 PHE N 1 354 PHE H 25113 1 22 . 1 1 31 31 GLN N N 15 . 1 1 31 31 GLN H H 1 0.9021 0.0182 . . 1 355 GLN N 1 355 GLN H 25113 1 23 . 1 1 36 36 LYS N N 15 . 1 1 36 36 LYS H H 1 0.8105 0.0101 . . 1 360 LYS N 1 360 LYS H 25113 1 24 . 1 1 37 37 GLY N N 15 . 1 1 37 37 GLY H H 1 0.7501 0.0227 . . 1 361 GLY N 1 361 GLY H 25113 1 25 . 1 1 38 38 GLU N N 15 . 1 1 38 38 GLU H H 1 0.7913 0.0144 . . 1 362 GLU N 1 362 GLU H 25113 1 26 . 1 1 39 39 ARG N N 15 . 1 1 39 39 ARG H H 1 0.7905 0.0073 . . 1 363 ARG N 1 363 ARG H 25113 1 27 . 1 1 48 48 VAL N N 15 . 1 1 48 48 VAL H H 1 0.954 0.0134 . . 1 372 VAL N 1 372 VAL H 25113 1 28 . 1 1 49 49 GLU N N 15 . 1 1 49 49 GLU H H 1 0.8593 0.0123 . . 1 373 GLU N 1 373 GLU H 25113 1 29 . 1 1 51 51 ALA N N 15 . 1 1 51 51 ALA H H 1 0.8657 0.0191 . . 1 375 ALA N 1 375 ALA H 25113 1 30 . 1 1 52 52 THR N N 15 . 1 1 52 52 THR H H 1 0.9151 0.0006 . . 1 376 THR N 1 376 THR H 25113 1 31 . 1 1 53 53 VAL N N 15 . 1 1 53 53 VAL H H 1 0.9514 0.0009 . . 1 377 VAL N 1 377 VAL H 25113 1 32 . 1 1 54 54 ILE N N 15 . 1 1 54 54 ILE H H 1 0.8799 0.0102 . . 1 378 ILE N 1 378 ILE H 25113 1 33 . 1 1 55 55 PHE N N 15 . 1 1 55 55 PHE H H 1 0.8907 0.0023 . . 1 379 PHE N 1 379 PHE H 25113 1 34 . 1 1 56 56 THR N N 15 . 1 1 56 56 THR H H 1 0.7479 0.0113 . . 1 380 THR N 1 380 THR H 25113 1 35 . 1 1 58 58 THR N N 15 . 1 1 58 58 THR H H 1 0.8074 0.0169 . . 1 382 THR N 1 382 THR H 25113 1 36 . 1 1 59 59 GLY N N 15 . 1 1 59 59 GLY H H 1 0.7521 0.0129 . . 1 383 GLY N 1 383 GLY H 25113 1 37 . 1 1 61 61 ILE N N 15 . 1 1 61 61 ILE H H 1 0.9255 0.0102 . . 1 385 ILE N 1 385 ILE H 25113 1 38 . 1 1 62 62 ILE N N 15 . 1 1 62 62 ILE H H 1 0.876 0.0119 . . 1 386 ILE N 1 386 ILE H 25113 1 39 . 1 1 63 63 GLU N N 15 . 1 1 63 63 GLU H H 1 0.9281 0.0076 . . 1 387 GLU N 1 387 GLU H 25113 1 40 . 1 1 64 64 LEU N N 15 . 1 1 64 64 LEU H H 1 0.909 0.0336 . . 1 388 LEU N 1 388 LEU H 25113 1 41 . 1 1 66 66 LEU N N 15 . 1 1 66 66 LEU H H 1 0.8897 0.0421 . . 1 390 LEU N 1 390 LEU H 25113 1 42 . 1 1 67 67 LYS N N 15 . 1 1 67 67 LYS H H 1 0.8298 0.0012 . . 1 391 LYS N 1 391 LYS H 25113 1 43 . 1 1 68 68 THR N N 15 . 1 1 68 68 THR H H 1 0.9353 0.0862 . . 1 392 THR N 1 392 THR H 25113 1 44 . 1 1 69 69 ALA N N 15 . 1 1 69 69 ALA H H 1 0.855 0.0221 . . 1 393 ALA N 1 393 ALA H 25113 1 45 . 1 1 71 71 THR N N 15 . 1 1 71 71 THR H H 1 0.9303 0.0049 . . 1 395 THR N 1 395 THR H 25113 1 46 . 1 1 72 72 TRP N N 15 . 1 1 72 72 TRP H H 1 0.9113 0.0765 . . 1 396 TRP N 1 396 TRP H 25113 1 47 . 1 1 76 76 GLU N N 15 . 1 1 76 76 GLU H H 1 0.8628 0.0091 . . 1 400 GLU N 1 400 GLU H 25113 1 48 . 1 1 78 78 TYR N N 15 . 1 1 78 78 TYR H H 1 0.8762 0.0025 . . 1 402 TYR N 1 402 TYR H 25113 1 49 . 1 1 79 79 GLU N N 15 . 1 1 79 79 GLU H H 1 0.915 0.0019 . . 1 403 GLU N 1 403 GLU H 25113 1 50 . 1 1 80 80 GLY N N 15 . 1 1 80 80 GLY H H 1 0.8362 0.0006 . . 1 404 GLY N 1 404 GLY H 25113 1 51 . 1 1 81 81 ASP N N 15 . 1 1 81 81 ASP H H 1 0.8008 0.0091 . . 1 405 ASP N 1 405 ASP H 25113 1 52 . 1 1 82 82 LYS N N 15 . 1 1 82 82 LYS H H 1 0.8094 0.0032 . . 1 406 LYS N 1 406 LYS H 25113 1 53 . 1 1 83 83 LYS N N 15 . 1 1 83 83 LYS H H 1 0.7723 0.011 . . 1 407 LYS N 1 407 LYS H 25113 1 54 . 1 1 84 84 LEU N N 15 . 1 1 84 84 LEU H H 1 0.9063 0.026 . . 1 408 LEU N 1 408 LEU H 25113 1 55 . 1 1 86 86 VAL N N 15 . 1 1 86 86 VAL H H 1 0.7547 0.0194 . . 1 410 VAL N 1 410 VAL H 25113 1 56 . 1 1 87 87 GLU N N 15 . 1 1 87 87 GLU H H 1 0.8529 0.0007 . . 1 411 GLU N 1 411 GLU H 25113 1 57 . 1 1 88 88 LEU N N 15 . 1 1 88 88 LEU H H 1 0.8313 0.0075 . . 1 412 LEU N 1 412 LEU H 25113 1 58 . 1 1 89 89 VAL N N 15 . 1 1 89 89 VAL H H 1 0.8578 0.0042 . . 1 413 VAL N 1 413 VAL H 25113 1 59 . 1 1 90 90 SER N N 15 . 1 1 90 90 SER H H 1 0.8828 0.0058 . . 1 414 SER N 1 414 SER H 25113 1 60 . 1 1 91 91 TYR N N 15 . 1 1 91 91 TYR H H 1 0.9424 0.0307 . . 1 415 TYR N 1 415 TYR H 25113 1 61 . 1 1 92 92 ASP N N 15 . 1 1 92 92 ASP H H 1 0.915 0.002 . . 1 416 ASP N 1 416 ASP H 25113 1 62 . 1 1 93 93 SER N N 15 . 1 1 93 93 SER H H 1 0.8139 0.0042 . . 1 417 SER N 1 417 SER H 25113 1 63 . 1 1 94 94 ASP N N 15 . 1 1 94 94 ASP H H 1 0.7921 0.0028 . . 1 418 ASP N 1 418 ASP H 25113 1 64 . 1 1 95 95 LYS N N 15 . 1 1 95 95 LYS H H 1 0.8408 0.0042 . . 1 419 LYS N 1 419 LYS H 25113 1 65 . 1 1 96 96 ASP N N 15 . 1 1 96 96 ASP H H 1 0.8812 0.0004 . . 1 420 ASP N 1 420 ASP H 25113 1 66 . 1 1 97 97 TYR N N 15 . 1 1 97 97 TYR H H 1 0.9013 0.0139 . . 1 421 TYR N 1 421 TYR H 25113 1 67 . 1 1 99 99 TYR N N 15 . 1 1 99 99 TYR H H 1 0.8749 0.0056 . . 1 423 TYR N 1 423 TYR H 25113 1 68 . 1 1 100 100 ILE N N 15 . 1 1 100 100 ILE H H 1 0.8802 0.0082 . . 1 424 ILE N 1 424 ILE H 25113 1 69 . 1 1 101 101 ARG N N 15 . 1 1 101 101 ARG H H 1 0.9181 0.0033 . . 1 425 ARG N 1 425 ARG H 25113 1 70 . 1 1 102 102 PHE N N 15 . 1 1 102 102 PHE H H 1 0.8942 0.0065 . . 1 426 PHE N 1 426 PHE H 25113 1 71 . 1 1 104 104 VAL N N 15 . 1 1 104 104 VAL H H 1 0.9355 0.0199 . . 1 428 VAL N 1 428 VAL H 25113 1 72 . 1 1 105 105 SER N N 15 . 1 1 105 105 SER H H 1 0.7862 0.015 . . 1 429 SER N 1 429 SER H 25113 1 73 . 1 1 106 106 ASN N N 15 . 1 1 106 106 ASN H H 1 0.8046 0.0211 . . 1 430 ASN N 1 430 ASN H 25113 1 74 . 1 1 107 107 GLY N N 15 . 1 1 107 107 GLY H H 1 0.877 0.0004 . . 1 431 GLY N 1 431 GLY H 25113 1 75 . 1 1 108 108 THR N N 15 . 1 1 108 108 THR H H 1 0.8457 0.0167 . . 1 432 THR N 1 432 THR H 25113 1 76 . 1 1 110 110 GLU N N 15 . 1 1 110 110 GLU H H 1 0.8165 0.0002 . . 1 434 GLU N 1 434 GLU H 25113 1 77 . 1 1 111 111 VAL N N 15 . 1 1 111 111 VAL H H 1 0.8487 0.0014 . . 1 435 VAL N 1 435 VAL H 25113 1 78 . 1 1 112 112 LYS N N 15 . 1 1 112 112 LYS H H 1 0.8751 0.0031 . . 1 436 LYS N 1 436 LYS H 25113 1 79 . 1 1 118 118 GLU N N 15 . 1 1 118 118 GLU H H 1 0.8595 0.0104 . . 1 442 GLU N 1 442 GLU H 25113 1 80 . 1 1 119 119 TYR N N 15 . 1 1 119 119 TYR H H 1 0.7304 0.0073 . . 1 443 TYR N 1 443 TYR H 25113 1 81 . 1 1 120 120 GLY N N 15 . 1 1 120 120 GLY H H 1 0.61 0.0422 . . 1 444 GLY N 1 444 GLY H 25113 1 82 . 1 1 121 121 GLU N N 15 . 1 1 121 121 GLU H H 1 0.5688 0.0071 . . 1 445 GLU N 1 445 GLU H 25113 1 83 . 1 1 122 122 ASN N N 15 . 1 1 122 122 ASN H H 1 0.4522 0.0124 . . 1 446 ASN N 1 446 ASN H 25113 1 84 . 1 1 123 123 ILE N N 15 . 1 1 123 123 ILE H H 1 0.6922 0.0039 . . 1 447 ILE N 1 447 ILE H 25113 1 85 . 1 1 124 124 HIS N N 15 . 1 1 124 124 HIS H H 1 0.6415 0.0033 . . 1 448 HIS N 1 448 HIS H 25113 1 86 . 1 1 125 125 GLU N N 15 . 1 1 125 125 GLU H H 1 0.7164 0.0232 . . 1 449 GLU N 1 449 GLU H 25113 1 87 . 1 1 132 132 MET N N 15 . 1 1 132 132 MET H H 1 0.9013 0.0284 . . 1 456 MET N 1 456 MET H 25113 1 88 . 1 1 133 133 VAL N N 15 . 1 1 133 133 VAL H H 1 0.8829 0.0114 . . 1 457 VAL N 1 457 VAL H 25113 1 89 . 1 1 134 134 PHE N N 15 . 1 1 134 134 PHE H H 1 0.8836 0.0068 . . 1 458 PHE N 1 458 PHE H 25113 1 90 . 1 1 135 135 ALA N N 15 . 1 1 135 135 ALA H H 1 0.8497 0.0076 . . 1 459 ALA N 1 459 ALA H 25113 1 91 . 1 1 136 136 GLN N N 15 . 1 1 136 136 GLN H H 1 0.869 0.0575 . . 1 460 GLN N 1 460 GLN H 25113 1 92 . 1 1 138 138 ILE N N 15 . 1 1 138 138 ILE H H 1 0.8892 0.0064 . . 1 462 ILE N 1 462 ILE H 25113 1 93 . 1 1 140 140 ASN N N 15 . 1 1 140 140 ASN H H 1 0.8545 0.0002 . . 1 464 ASN N 1 464 ASN H 25113 1 94 . 1 1 141 141 ASN N N 15 . 1 1 141 141 ASN H H 1 0.8679 0.0092 . . 1 465 ASN N 1 465 ASN H 25113 1 95 . 1 1 143 143 ASP N N 15 . 1 1 143 143 ASP H H 1 0.6726 0.0101 . . 1 467 ASP N 1 467 ASP H 25113 1 96 . 1 1 144 144 ASP N N 15 . 1 1 144 144 ASP H H 1 0.8994 0.0113 . . 1 468 ASP N 1 468 ASP H 25113 1 97 . 1 1 146 146 VAL N N 15 . 1 1 146 146 VAL H H 1 0.6912 0.004 . . 1 470 VAL N 1 470 VAL H 25113 1 98 . 1 1 147 147 ASP N N 15 . 1 1 147 147 ASP H H 1 0.7271 0.009 . . 1 471 ASP N 1 471 ASP H 25113 1 99 . 1 1 148 148 GLU N N 15 . 1 1 148 148 GLU H H 1 0.7777 0.0034 . . 1 472 GLU N 1 472 GLU H 25113 1 100 . 1 1 149 149 GLU N N 15 . 1 1 149 149 GLU H H 1 0.7368 0.0095 . . 1 473 GLU N 1 473 GLU H 25113 1 101 . 1 1 152 152 ASN N N 15 . 1 1 152 152 ASN H H 1 0.8168 0.0074 . . 1 476 ASN N 1 476 ASN H 25113 1 102 . 1 1 154 154 GLN N N 15 . 1 1 154 154 GLN H H 1 0.7805 0.0035 . . 1 478 GLN N 1 478 GLN H 25113 1 103 . 1 1 155 155 LYS N N 15 . 1 1 155 155 LYS H H 1 0.8799 0.0054 . . 1 479 LYS N 1 479 LYS H 25113 1 104 . 1 1 156 156 LEU N N 15 . 1 1 156 156 LEU H H 1 0.8194 0.0113 . . 1 480 LEU N 1 480 LEU H 25113 1 105 . 1 1 157 157 LEU N N 15 . 1 1 157 157 LEU H H 1 0.8265 0.0208 . . 1 481 LEU N 1 481 LEU H 25113 1 106 . 1 1 158 158 ALA N N 15 . 1 1 158 158 ALA H H 1 0.8659 0.0087 . . 1 482 ALA N 1 482 ALA H 25113 1 107 . 1 1 160 160 TYR N N 15 . 1 1 160 160 TYR H H 1 0.6447 0.0126 . . 1 484 TYR N 1 484 TYR H 25113 1 108 . 1 1 162 162 LYS N N 15 . 1 1 162 162 LYS H H 1 0.8256 0.0061 . . 1 486 LYS N 1 486 LYS H 25113 1 109 . 1 1 163 163 ALA N N 15 . 1 1 163 163 ALA H H 1 0.8034 0.015 . . 1 487 ALA N 1 487 ALA H 25113 1 110 . 1 1 164 164 LYS N N 15 . 1 1 164 164 LYS H H 1 0.8236 0.0021 . . 1 488 LYS N 1 488 LYS H 25113 1 111 . 1 1 165 165 THR N N 15 . 1 1 165 165 THR H H 1 0.6039 0.0188 . . 1 489 THR N 1 489 THR H 25113 1 112 . 1 1 166 166 LEU N N 15 . 1 1 166 166 LEU H H 1 0.9023 0.0577 . . 1 490 LEU N 1 490 LEU H 25113 1 113 . 1 1 167 167 GLU N N 15 . 1 1 167 167 GLU H H 1 0.9237 0.0006 . . 1 491 GLU N 1 491 GLU H 25113 1 114 . 1 1 168 168 ARG N N 15 . 1 1 168 168 ARG H H 1 0.854 0.0038 . . 1 492 ARG N 1 492 ARG H 25113 1 115 . 1 1 172 172 GLU N N 15 . 1 1 172 172 GLU H H 1 0.9122 0.0108 . . 1 496 GLU N 1 496 GLU H 25113 1 116 . 1 1 174 174 GLU N N 15 . 1 1 174 174 GLU H H 1 0.874 0.0096 . . 1 498 GLU N 1 498 GLU H 25113 1 117 . 1 1 175 175 LYS N N 15 . 1 1 175 175 LYS H H 1 0.8986 0.0005 . . 1 499 LYS N 1 499 LYS H 25113 1 118 . 1 1 176 176 LEU N N 15 . 1 1 176 176 LEU H H 1 0.8131 0.0073 . . 1 500 LEU N 1 500 LEU H 25113 1 119 . 1 1 177 177 GLN N N 15 . 1 1 177 177 GLN H H 1 0.8328 0.0298 . . 1 501 GLN N 1 501 GLN H 25113 1 120 . 1 1 179 179 LYS N N 15 . 1 1 179 179 LYS H H 1 0.6467 0.0156 . . 1 503 LYS N 1 503 LYS H 25113 1 121 . 1 1 180 180 LEU N N 15 . 1 1 180 180 LEU H H 1 0.7618 0.045 . . 1 504 LEU N 1 504 LEU H 25113 1 122 . 1 1 182 182 GLU N N 15 . 1 1 182 182 GLU H H 1 0.7821 0.0022 . . 1 506 GLU N 1 506 GLU H 25113 1 123 . 1 1 183 183 LYS N N 15 . 1 1 183 183 LYS H H 1 0.7431 0.0076 . . 1 507 LYS N 1 507 LYS H 25113 1 124 . 1 1 184 184 TYR N N 15 . 1 1 184 184 TYR H H 1 0.7534 0.0136 . . 1 508 TYR N 1 508 TYR H 25113 1 125 . 1 1 186 186 ALA N N 15 . 1 1 186 186 ALA H H 1 0.8343 0.0071 . . 1 510 ALA N 1 510 ALA H 25113 1 126 . 1 1 187 187 GLU N N 15 . 1 1 187 187 GLU H H 1 0.8086 0.0134 . . 1 511 GLU N 1 511 GLU H 25113 1 127 . 1 1 188 188 TYR N N 15 . 1 1 188 188 TYR H H 1 0.8499 0.0535 . . 1 512 TYR N 1 512 TYR H 25113 1 128 . 1 1 189 189 LYS N N 15 . 1 1 189 189 LYS H H 1 0.8342 0.0007 . . 1 513 LYS N 1 513 LYS H 25113 1 129 . 1 1 191 191 LYS N N 15 . 1 1 191 191 LYS H H 1 0.9252 0.0424 . . 1 515 LYS N 1 515 LYS H 25113 1 130 . 1 1 194 194 GLN N N 15 . 1 1 194 194 GLN H H 1 0.802 0.0151 . . 1 518 GLN N 1 518 GLN H 25113 1 131 . 1 1 196 196 ARG N N 15 . 1 1 196 196 ARG H H 1 0.8593 0.0128 . . 1 520 ARG N 1 520 ARG H 25113 1 132 . 1 1 199 199 LEU N N 15 . 1 1 199 199 LEU H H 1 0.8957 0.0243 . . 1 523 LEU N 1 523 LEU H 25113 1 133 . 1 1 201 201 ASP N N 15 . 1 1 201 201 ASP H H 1 0.8464 0.0178 . . 1 525 ASP N 1 525 ASP H 25113 1 134 . 1 1 202 202 GLN N N 15 . 1 1 202 202 GLN H H 1 0.8109 0.019 . . 1 526 GLN N 1 526 GLN H 25113 1 135 . 1 1 203 203 VAL N N 15 . 1 1 203 203 VAL H H 1 0.8618 0.0052 . . 1 527 VAL N 1 527 VAL H 25113 1 136 . 1 1 205 205 SER N N 15 . 1 1 205 205 SER H H 1 0.8086 0.0036 . . 1 529 SER N 1 529 SER H 25113 1 137 . 1 1 206 206 ALA N N 15 . 1 1 206 206 ALA H H 1 0.9099 0.0011 . . 1 530 ALA N 1 530 ALA H 25113 1 138 . 1 1 207 207 VAL N N 15 . 1 1 207 207 VAL H H 1 0.91 0.0119 . . 1 531 VAL N 1 531 VAL H 25113 1 139 . 1 1 208 208 THR N N 15 . 1 1 208 208 THR H H 1 0.8798 0.1489 . . 1 532 THR N 1 532 THR H 25113 1 140 . 1 1 209 209 GLU N N 15 . 1 1 209 209 GLU H H 1 0.8987 0.0097 . . 1 533 GLU N 1 533 GLU H 25113 1 141 . 1 1 211 211 GLU N N 15 . 1 1 211 211 GLU H H 1 0.8631 0.0047 . . 1 535 GLU N 1 535 GLU H 25113 1 142 . 1 1 212 212 ASN N N 15 . 1 1 212 212 ASN H H 1 0.8288 0.0026 . . 1 536 ASN N 1 536 ASN H 25113 1 143 . 1 1 213 213 VAL N N 15 . 1 1 213 213 VAL H H 1 0.7556 0.0009 . . 1 537 VAL N 1 537 VAL H 25113 1 144 . 1 1 214 214 THR N N 15 . 1 1 214 214 THR H H 1 0.8257 0.0041 . . 1 538 THR N 1 538 THR H 25113 1 145 . 1 1 216 216 THR N N 15 . 1 1 216 216 THR H H 1 0.855 0.0321 . . 1 540 THR N 1 540 THR H 25113 1 146 . 1 1 217 217 ASN N N 15 . 1 1 217 217 ASN H H 1 0.8492 0.0069 . . 1 541 ASN N 1 541 ASN H 25113 1 147 . 1 1 218 218 ASP N N 15 . 1 1 218 218 ASP H H 1 0.8244 0.0118 . . 1 542 ASP N 1 542 ASP H 25113 1 148 . 1 1 219 219 GLN N N 15 . 1 1 219 219 GLN H H 1 0.7311 0.0049 . . 1 543 GLN N 1 543 GLN H 25113 1 149 . 1 1 221 221 THR N N 15 . 1 1 221 221 THR H H 1 0.7718 0.0042 . . 1 545 THR N 1 545 THR H 25113 1 150 . 1 1 222 222 ASP N N 15 . 1 1 222 222 ASP H H 1 0.853 0.0103 . . 1 546 ASP N 1 546 ASP H 25113 1 151 . 1 1 223 223 LEU N N 15 . 1 1 223 223 LEU H H 1 0.7109 0.0019 . . 1 547 LEU N 1 547 LEU H 25113 1 152 . 1 1 226 226 ALA N N 15 . 1 1 226 226 ALA H H 1 0.8175 0.0086 . . 1 550 ALA N 1 550 ALA H 25113 1 153 . 1 1 227 227 HIS N N 15 . 1 1 227 227 HIS H H 1 0.5425 0.0038 . . 1 551 HIS N 1 551 HIS H 25113 1 154 . 1 1 228 228 PHE N N 15 . 1 1 228 228 PHE H H 1 0.8095 0.0081 . . 1 552 PHE N 1 552 PHE H 25113 1 155 . 1 1 229 229 VAL N N 15 . 1 1 229 229 VAL H H 1 0.8693 0.0056 . . 1 553 VAL N 1 553 VAL H 25113 1 156 . 1 1 230 230 VAL N N 15 . 1 1 230 230 VAL H H 1 0.8198 0.0072 . . 1 554 VAL N 1 554 VAL H 25113 1 157 . 1 1 231 231 PHE N N 15 . 1 1 231 231 PHE H H 1 0.8407 0.0207 . . 1 555 PHE N 1 555 PHE H 25113 1 158 . 1 1 233 233 SER N N 15 . 1 1 233 233 SER H H 1 0.8154 0.0082 . . 1 557 SER N 1 557 SER H 25113 1 159 . 1 1 234 234 GLU N N 15 . 1 1 234 234 GLU H H 1 0.755 0.0127 . . 1 558 GLU N 1 558 GLU H 25113 1 160 . 1 1 237 237 SER N N 15 . 1 1 237 237 SER H H 1 0.8528 0.0252 . . 1 561 SER N 1 561 SER H 25113 1 161 . 1 1 238 238 GLU N N 15 . 1 1 238 238 GLU H H 1 0.7593 0.0233 . . 1 562 GLU N 1 562 GLU H 25113 1 162 . 1 1 239 239 SER N N 15 . 1 1 239 239 SER H H 1 0.8352 0.01 . . 1 563 SER N 1 563 SER H 25113 1 163 . 1 1 240 240 VAL N N 15 . 1 1 240 240 VAL H H 1 0.8876 0.0564 . . 1 564 VAL N 1 564 VAL H 25113 1 164 . 1 1 241 241 MET N N 15 . 1 1 241 241 MET H H 1 0.8491 0.0043 . . 1 565 MET N 1 565 MET H 25113 1 165 . 1 1 242 242 ASP N N 15 . 1 1 242 242 ASP H H 1 0.8103 0.0136 . . 1 566 ASP N 1 566 ASP H 25113 1 166 . 1 1 243 243 GLY N N 15 . 1 1 243 243 GLY H H 1 0.8331 0.0068 . . 1 567 GLY N 1 567 GLY H 25113 1 167 . 1 1 244 244 PHE N N 15 . 1 1 244 244 PHE H H 1 0.8187 0.0112 . . 1 568 PHE N 1 568 PHE H 25113 1 168 . 1 1 245 245 VAL N N 15 . 1 1 245 245 VAL H H 1 0.8212 0.0013 . . 1 569 VAL N 1 569 VAL H 25113 1 169 . 1 1 246 246 GLU N N 15 . 1 1 246 246 GLU H H 1 0.8205 0.0105 . . 1 570 GLU N 1 570 GLU H 25113 1 170 . 1 1 247 247 HIS N N 15 . 1 1 247 247 HIS H H 1 0.8254 0.0191 . . 1 571 HIS N 1 571 HIS H 25113 1 171 . 1 1 250 250 TYR N N 15 . 1 1 250 250 TYR H H 1 0.9008 0.0167 . . 1 574 TYR N 1 574 TYR H 25113 1 172 . 1 1 251 251 THR N N 15 . 1 1 251 251 THR H H 1 0.8373 0.0192 . . 1 575 THR N 1 575 THR H 25113 1 173 . 1 1 252 252 ALA N N 15 . 1 1 252 252 ALA H H 1 0.9165 0.018 . . 1 576 ALA N 1 576 ALA H 25113 1 174 . 1 1 253 253 THR N N 15 . 1 1 253 253 THR H H 1 0.9183 0.0228 . . 1 577 THR N 1 577 THR H 25113 1 175 . 1 1 254 254 LEU N N 15 . 1 1 254 254 LEU H H 1 0.8773 0.0077 . . 1 578 LEU N 1 578 LEU H 25113 1 176 . 1 1 255 255 ASN N N 15 . 1 1 255 255 ASN H H 1 0.8033 0.0207 . . 1 579 ASN N 1 579 ASN H 25113 1 177 . 1 1 256 256 GLY N N 15 . 1 1 256 256 GLY H H 1 0.8019 0.0126 . . 1 580 GLY N 1 580 GLY H 25113 1 178 . 1 1 257 257 GLN N N 15 . 1 1 257 257 GLN H H 1 0.8407 0.0068 . . 1 581 GLN N 1 581 GLN H 25113 1 179 . 1 1 259 259 TYR N N 15 . 1 1 259 259 TYR H H 1 0.919 0.0132 . . 1 583 TYR N 1 583 TYR H 25113 1 180 . 1 1 260 260 VAL N N 15 . 1 1 260 260 VAL H H 1 0.9381 0.0072 . . 1 584 VAL N 1 584 VAL H 25113 1 181 . 1 1 261 261 VAL N N 15 . 1 1 261 261 VAL H H 1 0.9102 0.0201 . . 1 585 VAL N 1 585 VAL H 25113 1 182 . 1 1 262 262 MET N N 15 . 1 1 262 262 MET H H 1 0.8557 0.0351 . . 1 586 MET N 1 586 MET H 25113 1 183 . 1 1 264 264 THR N N 15 . 1 1 264 264 THR H H 1 0.8659 0.0748 . . 1 588 THR N 1 588 THR H 25113 1 184 . 1 1 265 265 LYS N N 15 . 1 1 265 265 LYS H H 1 0.8109 0.0105 . . 1 589 LYS N 1 589 LYS H 25113 1 185 . 1 1 266 266 ASP N N 15 . 1 1 266 266 ASP H H 1 0.8389 0.0065 . . 1 590 ASP N 1 590 ASP H 25113 1 186 . 1 1 268 268 SER N N 15 . 1 1 268 268 SER H H 1 0.9286 0.0563 . . 1 592 SER N 1 592 SER H 25113 1 187 . 1 1 271 271 LYS N N 15 . 1 1 271 271 LYS H H 1 0.8899 0.0141 . . 1 595 LYS N 1 595 LYS H 25113 1 188 . 1 1 274 274 ILE N N 15 . 1 1 274 274 ILE H H 1 0.8644 0.0098 . . 1 598 ILE N 1 598 ILE H 25113 1 189 . 1 1 275 275 VAL N N 15 . 1 1 275 275 VAL H H 1 0.9056 0.0339 . . 1 599 VAL N 1 599 VAL H 25113 1 190 . 1 1 276 276 GLU N N 15 . 1 1 276 276 GLU H H 1 0.9055 0.0171 . . 1 600 GLU N 1 600 GLU H 25113 1 191 . 1 1 277 277 GLY N N 15 . 1 1 277 277 GLY H H 1 0.8804 0.007 . . 1 601 GLY N 1 601 GLY H 25113 1 192 . 1 1 278 278 LYS N N 15 . 1 1 278 278 LYS H H 1 0.941 0.0115 . . 1 602 LYS N 1 602 LYS H 25113 1 193 . 1 1 279 279 ARG N N 15 . 1 1 279 279 ARG H H 1 0.8751 0.021 . . 1 603 ARG N 1 603 ARG H 25113 1 194 . 1 1 281 281 THR N N 15 . 1 1 281 281 THR H H 1 0.8825 0.0084 . . 1 605 THR N 1 605 THR H 25113 1 195 . 1 1 282 282 THR N N 15 . 1 1 282 282 THR H H 1 0.8858 0.0116 . . 1 606 THR N 1 606 THR H 25113 1 196 . 1 1 283 283 VAL N N 15 . 1 1 283 283 VAL H H 1 0.8615 0.0438 . . 1 607 VAL N 1 607 VAL H 25113 1 197 . 1 1 284 284 SER N N 15 . 1 1 284 284 SER H H 1 0.8036 0.0447 . . 1 608 SER N 1 608 SER H 25113 1 198 . 1 1 285 285 LYS N N 15 . 1 1 285 285 LYS H H 1 0.8661 0.0053 . . 1 609 LYS N 1 609 LYS H 25113 1 199 . 1 1 286 286 ASP N N 15 . 1 1 286 286 ASP H H 1 0.7121 0.0002 . . 1 610 ASP N 1 610 ASP H 25113 1 200 . 1 1 288 288 LYS N N 15 . 1 1 288 288 LYS H H 1 0.7631 0.0108 . . 1 612 LYS N 1 612 LYS H 25113 1 201 . 1 1 289 289 ASN N N 15 . 1 1 289 289 ASN H H 1 0.6904 0.0358 . . 1 613 ASN N 1 613 ASN H 25113 1 202 . 1 1 290 290 ASN N N 15 . 1 1 290 290 ASN H H 1 0.7408 0.0185 . . 1 614 ASN N 1 614 ASN H 25113 1 203 . 1 1 291 291 SER N N 15 . 1 1 291 291 SER H H 1 0.9016 0.0327 . . 1 615 SER N 1 615 SER H 25113 1 204 . 1 1 293 293 THR N N 15 . 1 1 293 293 THR H H 1 0.8775 0.0018 . . 1 617 THR N 1 617 THR H 25113 1 205 . 1 1 294 294 LEU N N 15 . 1 1 294 294 LEU H H 1 0.8925 0.0035 . . 1 618 LEU N 1 618 LEU H 25113 1 206 . 1 1 295 295 ILE N N 15 . 1 1 295 295 ILE H H 1 0.9459 0.0007 . . 1 619 ILE N 1 619 ILE H 25113 1 207 . 1 1 296 296 PHE N N 15 . 1 1 296 296 PHE H H 1 0.9156 0.0194 . . 1 620 PHE N 1 620 PHE H 25113 1 208 . 1 1 298 298 TYR N N 15 . 1 1 298 298 TYR H H 1 0.9008 0.018 . . 1 622 TYR N 1 622 TYR H 25113 1 209 . 1 1 299 299 ILE N N 15 . 1 1 299 299 ILE H H 1 0.8692 0.02 . . 1 623 ILE N 1 623 ILE H 25113 1 210 . 1 1 302 302 LYS N N 15 . 1 1 302 302 LYS H H 1 0.8603 0.0014 . . 1 626 LYS N 1 626 LYS H 25113 1 211 . 1 1 303 303 ALA N N 15 . 1 1 303 303 ALA H H 1 0.7938 0.0051 . . 1 627 ALA N 1 627 ALA H 25113 1 212 . 1 1 304 304 VAL N N 15 . 1 1 304 304 VAL H H 1 0.8103 0.0055 . . 1 628 VAL N 1 628 VAL H 25113 1 213 . 1 1 305 305 TYR N N 15 . 1 1 305 305 TYR H H 1 0.8877 0.024 . . 1 629 TYR N 1 629 TYR H 25113 1 214 . 1 1 306 306 ASN N N 15 . 1 1 306 306 ASN H H 1 0.8922 0.0124 . . 1 630 ASN N 1 630 ASN H 25113 1 215 . 1 1 308 308 ILE N N 15 . 1 1 308 308 ILE H H 1 0.8541 0.0146 . . 1 632 ILE N 1 632 ILE H 25113 1 216 . 1 1 309 309 VAL N N 15 . 1 1 309 309 VAL H H 1 0.8794 0.0456 . . 1 633 VAL N 1 633 VAL H 25113 1 217 . 1 1 312 312 VAL N N 15 . 1 1 312 312 VAL H H 1 0.8377 0.0105 . . 1 636 VAL N 1 636 VAL H 25113 1 218 . 1 1 313 313 VAL N N 15 . 1 1 313 313 VAL H H 1 0.6249 0.0067 . . 1 637 VAL N 1 637 VAL H 25113 1 219 . 1 1 314 314 ALA N N 15 . 1 1 314 314 ALA H H 1 0.5763 0.009 . . 1 638 ALA N 1 638 ALA H 25113 1 220 . 1 1 316 316 ILE N N 15 . 1 1 316 316 ILE H H 1 0.4956 0.016 . . 1 640 ILE N 1 640 ILE H 25113 1 221 . 1 1 317 317 GLY N N 15 . 1 1 317 317 GLY H H 1 0.569 0.0041 . . 1 641 GLY N 1 641 GLY H 25113 1 222 . 1 1 318 318 ALA N N 15 . 1 1 318 318 ALA H H 1 0.5693 0.0137 . . 1 642 ALA N 1 642 ALA H 25113 1 223 . 1 1 319 319 GLU N N 15 . 1 1 319 319 GLU H H 1 0.5109 0.0052 . . 1 643 GLU N 1 643 GLU H 25113 1 224 . 1 1 320 320 GLY N N 15 . 1 1 320 320 GLY H H 1 0.6462 0.0087 . . 1 644 GLY N 1 644 GLY H 25113 1 225 . 1 1 321 321 GLN N N 15 . 1 1 321 321 GLN H H 1 0.8029 0.0065 . . 1 645 GLN N 1 645 GLN H 25113 1 226 . 1 1 322 322 TYR N N 15 . 1 1 322 322 TYR H H 1 0.8729 0.0035 . . 1 646 TYR N 1 646 TYR H 25113 1 227 . 1 1 323 323 HIS N N 15 . 1 1 323 323 HIS H H 1 0.829 0.0014 . . 1 647 HIS N 1 647 HIS H 25113 1 228 . 1 1 324 324 VAL N N 15 . 1 1 324 324 VAL H H 1 0.8942 0.0045 . . 1 648 VAL N 1 648 VAL H 25113 1 229 . 1 1 325 325 ARG N N 15 . 1 1 325 325 ARG H H 1 0.8698 0.0033 . . 1 649 ARG N 1 649 ARG H 25113 1 230 . 1 1 326 326 ILE N N 15 . 1 1 326 326 ILE H H 1 0.9024 0.0285 . . 1 650 ILE N 1 650 ILE H 25113 1 231 . 1 1 327 327 ILE N N 15 . 1 1 327 327 ILE H H 1 0.8357 0.0112 . . 1 651 ILE N 1 651 ILE H 25113 1 232 . 1 1 328 328 ASN N N 15 . 1 1 328 328 ASN H H 1 0.8795 0.0047 . . 1 652 ASN N 1 652 ASN H 25113 1 233 . 1 1 329 329 GLN N N 15 . 1 1 329 329 GLN H H 1 0.804 0.014 . . 1 653 GLN N 1 653 GLN H 25113 1 234 . 1 1 331 331 ILE N N 15 . 1 1 331 331 ILE H H 1 0.7512 0.0007 . . 1 655 ILE N 1 655 ILE H 25113 1 235 . 1 1 332 332 ASN N N 15 . 1 1 332 332 ASN H H 1 0.5888 0.0017 . . 1 656 ASN N 1 656 ASN H 25113 1 236 . 1 1 333 333 THR N N 15 . 1 1 333 333 THR H H 1 0.2058 0.0033 . . 1 657 THR N 1 657 THR H 25113 1 237 . 1 1 335 335 ASP N N 15 . 1 1 335 335 ASP H H 1 -0.6489 0.005 . . 1 659 ASP N 1 659 ASP H 25113 1 238 . 1 1 336 336 ASP N N 15 . 1 1 336 336 ASP H H 1 -1.418 0.0106 . . 1 660 ASP N 1 660 ASP H 25113 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 25113 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name . _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 800 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 25 '2D 1H-15N HSQC T1 relaxation' . . . 25113 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 7 7 GLN N N 15 0.988700146 0.0399 . 1 331 GLN N 25113 1 2 . 1 1 10 10 ILE N N 15 1.124999986 0.0414 . 1 334 ILE N 25113 1 3 . 1 1 11 11 LYS N N 15 1.092000019 0.018 . 1 335 LYS N 25113 1 4 . 1 1 12 12 ASN N N 15 1.277000092 0.0568 . 1 336 ASN N 25113 1 5 . 1 1 15 15 ILE N N 15 1.232000018 0.0146 . 1 339 ILE N 25113 1 6 . 1 1 16 16 ILE N N 15 1.164999998 0.0398 . 1 340 ILE N 25113 1 7 . 1 1 17 17 ASP N N 15 1.019999955 0.0311 . 1 341 ASP N 25113 1 8 . 1 1 18 18 LYS N N 15 1.062999969 0.069 . 1 342 LYS N 25113 1 9 . 1 1 19 19 GLU N N 15 0.988799864 0.102 . 1 343 GLU N 25113 1 10 . 1 1 20 20 HIS N N 15 0.90510024 0.0819 . 1 344 HIS N 25113 1 11 . 1 1 22 22 ALA N N 15 0.969100239 0.0355 . 1 346 ALA N 25113 1 12 . 1 1 24 24 ASN N N 15 1.124000019 0.0573 . 1 348 ASN N 25113 1 13 . 1 1 25 25 TRP N N 15 1.178000048 0.0839 . 1 349 TRP N 25113 1 14 . 1 1 26 26 ARG N N 15 1.525000011 0.139 . 1 350 ARG N 25113 1 15 . 1 1 28 28 ILE N N 15 1.305000042 0.144 . 1 352 ILE N 25113 1 16 . 1 1 29 29 ASP N N 15 1.277000092 0.0895 . 1 353 ASP N 25113 1 17 . 1 1 30 30 PHE N N 15 1.214999952 0.0535 . 1 354 PHE N 25113 1 18 . 1 1 31 31 GLN N N 15 1.327000005 0.0372 . 1 355 GLN N 25113 1 19 . 1 1 32 32 MET N N 15 1.09299998 0.144 . 1 356 MET N 25113 1 20 . 1 1 36 36 LYS N N 15 1.062999969 0.0426 . 1 360 LYS N 25113 1 21 . 1 1 37 37 GLY N N 15 1.068999994 0.0263 . 1 361 GLY N 25113 1 22 . 1 1 49 49 GLU N N 15 1.314000013 0.0411 . 1 373 GLU N 25113 1 23 . 1 1 52 52 THR N N 15 1.13400002 0.0433 . 1 376 THR N 25113 1 24 . 1 1 53 53 VAL N N 15 1.407000107 0.0702 . 1 377 VAL N 25113 1 25 . 1 1 54 54 ILE N N 15 1.383999909 0.102 . 1 378 ILE N 25113 1 26 . 1 1 55 55 PHE N N 15 1.363000028 0.0708 . 1 379 PHE N 25113 1 27 . 1 1 58 58 THR N N 15 0.997399779 0.028 . 1 382 THR N 25113 1 28 . 1 1 59 59 GLY N N 15 1.065000041 0.0795 . 1 383 GLY N 25113 1 29 . 1 1 61 61 ILE N N 15 1.180999931 0.0771 . 1 385 ILE N 25113 1 30 . 1 1 62 62 ILE N N 15 1.057999982 0.0443 . 1 386 ILE N 25113 1 31 . 1 1 63 63 GLU N N 15 1.185000079 0.0291 . 1 387 GLU N 25113 1 32 . 1 1 64 64 LEU N N 15 1.066000004 0.0559 . 1 388 LEU N 25113 1 33 . 1 1 68 68 THR N N 15 1.018999968 0.0683 . 1 392 THR N 25113 1 34 . 1 1 69 69 ALA N N 15 1.018999968 0.0235 . 1 393 ALA N 25113 1 35 . 1 1 70 70 SER N N 15 0.893500144 0.0522 . 1 394 SER N 25113 1 36 . 1 1 72 72 TRP N N 15 1.024 0.0636 . 1 396 TRP N 25113 1 37 . 1 1 76 76 GLU N N 15 1.014999974 0.0677 . 1 400 GLU N 25113 1 38 . 1 1 78 78 TYR N N 15 1.121000076 0.0652 . 1 402 TYR N 25113 1 39 . 1 1 79 79 GLU N N 15 1.237999912 0.0477 . 1 403 GLU N 25113 1 40 . 1 1 80 80 GLY N N 15 1.016999968 0.081 . 1 404 GLY N 25113 1 41 . 1 1 81 81 ASP N N 15 1.002999973 0.0425 . 1 405 ASP N 25113 1 42 . 1 1 82 82 LYS N N 15 1.106000039 0.0462 . 1 406 LYS N 25113 1 43 . 1 1 83 83 LYS N N 15 1.196000002 0.0364 . 1 407 LYS N 25113 1 44 . 1 1 84 84 LEU N N 15 1.006999959 0.0435 . 1 408 LEU N 25113 1 45 . 1 1 86 86 VAL N N 15 1.581999879 0.138 . 1 410 VAL N 25113 1 46 . 1 1 87 87 GLU N N 15 1.246000028 0.0535 . 1 411 GLU N 25113 1 47 . 1 1 88 88 LEU N N 15 1.289999997 0.051 . 1 412 LEU N 25113 1 48 . 1 1 90 90 SER N N 15 1.106999959 0.0722 . 1 414 SER N 25113 1 49 . 1 1 91 91 TYR N N 15 1.117999979 0.0759 . 1 415 TYR N 25113 1 50 . 1 1 92 92 ASP N N 15 1.058999959 0.0595 . 1 416 ASP N 25113 1 51 . 1 1 94 94 ASP N N 15 1.100000011 0.0348 . 1 418 ASP N 25113 1 52 . 1 1 97 97 TYR N N 15 1.044000007 0.0893 . 1 421 TYR N 25113 1 53 . 1 1 99 99 TYR N N 15 1.228000072 0.0468 . 1 423 TYR N 25113 1 54 . 1 1 101 101 ARG N N 15 1.273000088 0.0273 . 1 425 ARG N 25113 1 55 . 1 1 104 104 VAL N N 15 1.209999972 0.0388 . 1 428 VAL N 25113 1 56 . 1 1 105 105 SER N N 15 1.110000001 0.0784 . 1 429 SER N 25113 1 57 . 1 1 106 106 ASN N N 15 0.97509985 0.0763 . 1 430 ASN N 25113 1 58 . 1 1 107 107 GLY N N 15 1.163000038 0.0386 . 1 431 GLY N 25113 1 59 . 1 1 110 110 GLU N N 15 1.125999958 0.0401 . 1 434 GLU N 25113 1 60 . 1 1 111 111 VAL N N 15 1.13499996 0.048 . 1 435 VAL N 25113 1 61 . 1 1 112 112 LYS N N 15 1.101000016 0.0673 . 1 436 LYS N 25113 1 62 . 1 1 118 118 GLU N N 15 1.018999968 0.0778 . 1 442 GLU N 25113 1 63 . 1 1 119 119 TYR N N 15 0.98360043 0.0614 . 1 443 TYR N 25113 1 64 . 1 1 120 120 GLY N N 15 0.872100375 0.0322 . 1 444 GLY N 25113 1 65 . 1 1 121 121 GLU N N 15 0.851700249 0.0461 . 1 445 GLU N 25113 1 66 . 1 1 122 122 ASN N N 15 0.830900181 0.0123 . 1 446 ASN N 25113 1 67 . 1 1 132 132 MET N N 15 1.034999973 0.0799 . 1 456 MET N 25113 1 68 . 1 1 134 134 PHE N N 15 1.233000012 0.078 . 1 458 VAL N 25113 1 69 . 1 1 140 140 ASN N N 15 1.013999994 0.0673 . 1 464 PHE N 25113 1 70 . 1 1 141 141 ASN N N 15 1.319999926 0.122 . 1 465 ASN N 25113 1 71 . 1 1 143 143 ASP N N 15 1.232000018 0.108 . 1 467 ASP N 25113 1 72 . 1 1 144 144 ASP N N 15 1.327999909 0.118 . 1 468 ASP N 25113 1 73 . 1 1 157 157 LEU N N 15 1.9990001 0.181 . 1 481 LEU N 25113 1 74 . 1 1 158 158 ALA N N 15 1.994000054 0.132 . 1 482 ALA N 25113 1 75 . 1 1 163 163 ALA N N 15 1.578000153 0.123 . 1 487 ALA N 25113 1 76 . 1 1 165 165 THR N N 15 1.519000109 0.106 . 1 489 THR N 25113 1 77 . 1 1 166 166 LEU N N 15 1.146999976 0.0553 . 1 490 LEU N 25113 1 78 . 1 1 167 167 GLU N N 15 1.764000075 0.157 . 1 491 GLU N 25113 1 79 . 1 1 172 172 GLU N N 15 1.6 0.0765 . 1 496 GLU N 25113 1 80 . 1 1 176 176 LEU N N 15 1.693000155 0.104 . 1 500 LEU N 25113 1 81 . 1 1 178 178 GLU N N 15 1.540000117 0.0403 . 1 502 GLU N 25113 1 82 . 1 1 179 179 LYS N N 15 1.770000161 0.0764 . 1 503 LYS N 25113 1 83 . 1 1 180 180 LEU N N 15 1.786000046 0.0286 . 1 504 LEU N 25113 1 84 . 1 1 182 182 GLU N N 15 1.258999961 0.165 . 1 506 GLU N 25113 1 85 . 1 1 183 183 LYS N N 15 1.354999963 0.09 . 1 507 LYS N 25113 1 86 . 1 1 186 186 ALA N N 15 1.491000026 0.158 . 1 510 ALA N 25113 1 87 . 1 1 188 188 TYR N N 15 1.772999976 0.0896 . 1 512 TYR N 25113 1 88 . 1 1 189 189 LYS N N 15 1.739000085 0.125 . 1 513 LYS N 25113 1 89 . 1 1 191 191 LYS N N 15 1.829999958 0.134 . 1 515 LYS N 25113 1 90 . 1 1 202 202 GLN N N 15 1.378000009 0.0271 . 1 526 GLN N 25113 1 91 . 1 1 206 206 ALA N N 15 1.36799991 0.0876 . 1 530 ALA N 25113 1 92 . 1 1 208 208 THR N N 15 1.648000045 0.146 . 1 532 THR N 25113 1 93 . 1 1 209 209 GLU N N 15 1.556000053 0.183 . 1 533 GLU N 25113 1 94 . 1 1 213 213 VAL N N 15 1.592999976 0.0981 . 1 537 VAL N 25113 1 95 . 1 1 214 214 THR N N 15 1.389000009 0.0594 . 1 538 THR N 25113 1 96 . 1 1 217 217 ASN N N 15 1.397000026 0.0731 . 1 541 ASN N 25113 1 97 . 1 1 218 218 ASP N N 15 1.542999857 0.153 . 1 542 ASP N 25113 1 98 . 1 1 219 219 GLN N N 15 1.413999957 0.0663 . 1 543 GLN N 25113 1 99 . 1 1 221 221 THR N N 15 1.63099996 0.0756 . 1 545 THR N 25113 1 100 . 1 1 223 223 LEU N N 15 1.099000009 0.0479 . 1 547 LEU N 25113 1 101 . 1 1 226 226 ALA N N 15 1.218000093 0.033 . 1 550 ALA N 25113 1 102 . 1 1 227 227 HIS N N 15 1.225999978 0.0432 . 1 551 HIS N 25113 1 103 . 1 1 231 231 PHE N N 15 1.241999968 0.0842 . 1 555 PHE N 25113 1 104 . 1 1 233 233 SER N N 15 1.013999994 0.0806 . 1 557 SER N 25113 1 105 . 1 1 235 235 GLU N N 15 1.371000005 0.0779 . 1 559 GLU N 25113 1 106 . 1 1 237 237 SER N N 15 1.42199996 0.088 . 1 561 SER N 25113 1 107 . 1 1 238 238 GLU N N 15 1.397999965 0.0852 . 1 562 GLU N 25113 1 108 . 1 1 239 239 SER N N 15 1.402999951 0.175 . 1 563 SER N 25113 1 109 . 1 1 243 243 GLY N N 15 1.354999963 0.0524 . 1 567 GLY N 25113 1 110 . 1 1 244 244 PHE N N 15 1.495000047 0.0931 . 1 568 PHE N 25113 1 111 . 1 1 245 245 VAL N N 15 1.492999921 0.0932 . 1 569 VAL N 25113 1 112 . 1 1 246 246 GLU N N 15 1.269999959 0.12 . 1 570 GLU N 25113 1 113 . 1 1 251 251 THR N N 15 1.319000024 0.0511 . 1 575 THR N 25113 1 114 . 1 1 252 252 ALA N N 15 1.303999942 0.038 . 1 576 ALA N 25113 1 115 . 1 1 253 253 THR N N 15 1.525000011 0.0239 . 1 577 THR N 25113 1 116 . 1 1 254 254 LEU N N 15 1.301999924 0.0803 . 1 578 LEU N 25113 1 117 . 1 1 256 256 GLY N N 15 1.079000069 0.124 . 1 580 GLY N 25113 1 118 . 1 1 259 259 TYR N N 15 1.371000005 0.0606 . 1 583 TYR N 25113 1 119 . 1 1 262 262 MET N N 15 1.460000015 0.11 . 1 586 MET N 25113 1 120 . 1 1 264 264 THR N N 15 1.559999856 0.141 . 1 588 THR N 25113 1 121 . 1 1 266 266 ASP N N 15 1.475999946 0.0859 . 1 590 ASP N 25113 1 122 . 1 1 267 267 ASP N N 15 0.974000043 0.0484 . 1 591 ASP N 25113 1 123 . 1 1 268 268 SER N N 15 1.314000013 0.133 . 1 592 SER N 25113 1 124 . 1 1 275 275 VAL N N 15 1.602000065 0.041 . 1 599 VAL N 25113 1 125 . 1 1 277 277 GLY N N 15 1.318000072 0.0869 . 1 601 GLY N 25113 1 126 . 1 1 278 278 LYS N N 15 1.352000129 0.113 . 1 602 LYS N 25113 1 127 . 1 1 279 279 ARG N N 15 1.205999995 0.117 . 1 603 ARG N 25113 1 128 . 1 1 283 283 VAL N N 15 1.506000055 0.152 . 1 607 VAL N 25113 1 129 . 1 1 286 286 ASP N N 15 1.10799997 0.0392 . 1 610 ASP N 25113 1 130 . 1 1 290 290 ASN N N 15 0.920500089 0.034 . 1 614 ASN N 25113 1 131 . 1 1 294 294 LEU N N 15 1.40099995 0.104 . 1 618 LEU N 25113 1 132 . 1 1 295 295 ILE N N 15 1.382999998 0.0843 . 1 619 ILE N 25113 1 133 . 1 1 296 296 PHE N N 15 1.389000009 0.0458 . 1 620 PHE N 25113 1 134 . 1 1 298 298 TYR N N 15 1.049999948 0.0634 . 1 622 TYR N 25113 1 135 . 1 1 299 299 ILE N N 15 1.164999998 0.037 . 1 623 ILE N 25113 1 136 . 1 1 302 302 LYS N N 15 1.285999961 0.0568 . 1 626 LYS N 25113 1 137 . 1 1 303 303 ALA N N 15 1.089999991 0.063 . 1 627 ALA N 25113 1 138 . 1 1 304 304 VAL N N 15 1.340000102 0.0535 . 1 628 VAL N 25113 1 139 . 1 1 305 305 TYR N N 15 1.513999958 0.133 . 1 629 TYR N 25113 1 140 . 1 1 306 306 ASN N N 15 1.436000062 0.135 . 1 630 ASN N 25113 1 141 . 1 1 308 308 ILE N N 15 1.495999995 0.0527 . 1 632 ILE N 25113 1 142 . 1 1 314 314 ALA N N 15 0.937800389 0.0391 . 1 638 ALA N 25113 1 143 . 1 1 316 316 ILE N N 15 1.005999985 0.0214 . 1 640 ILE N 25113 1 144 . 1 1 317 317 GLY N N 15 0.863800289 0.0469 . 1 641 GLY N 25113 1 145 . 1 1 319 319 GLU N N 15 0.910999868 0.0814 . 1 643 GLU N 25113 1 146 . 1 1 320 320 GLY N N 15 1.171000089 0.0388 . 1 644 GLY N 25113 1 147 . 1 1 321 321 GLN N N 15 1.513999958 0.196 . 1 645 GLN N 25113 1 148 . 1 1 325 325 ARG N N 15 1.203999977 0.0429 . 1 649 ARG N 25113 1 149 . 1 1 326 326 ILE N N 15 1.186999976 0.0346 . 1 650 ILE N 25113 1 150 . 1 1 327 327 ILE N N 15 1.389999924 0.0297 . 1 651 ILE N 25113 1 151 . 1 1 331 331 ILE N N 15 1.198000059 0.037 . 1 655 ILE N 25113 1 152 . 1 1 332 332 ASN N N 15 0.827400185 0.0351 . 1 656 ASN N 25113 1 153 . 1 1 333 333 THR N N 15 0.660600155 0.0466 . 1 657 THR N 25113 1 154 . 1 1 335 335 ASP N N 15 0.679299832 0.058 . 1 659 ASP N 25113 1 155 . 1 1 336 336 ASP N N 15 1.166000045 0.0639 . 1 660 ASP N 25113 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 25113 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name . _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 800 _Heteronucl_T2_list.T2_coherence_type Nz _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 26 '2D 1H-15N HSQC T2 relaxation' . . . 25113 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 7 7 GLN N N 15 0.03872 0.00114 . . . 1 331 GLN N 25113 1 2 . 1 1 11 11 LYS N N 15 0.03819 0.00072 . . . 1 335 LYS N 25113 1 3 . 1 1 12 12 ASN N N 15 0.04134 0.00124 . . . 1 336 ASN N 25113 1 4 . 1 1 14 14 ALA N N 15 0.03583 0.00109 . . . 1 338 ALA N 25113 1 5 . 1 1 15 15 ILE N N 15 0.02976 0.00132 . . . 1 339 ILE N 25113 1 6 . 1 1 16 16 ILE N N 15 0.03601 0.00193 . . . 1 340 ILE N 25113 1 7 . 1 1 18 18 LYS N N 15 0.03685 0.000966 . . . 1 342 LYS N 25113 1 8 . 1 1 19 19 GLU N N 15 0.03197 0.000866 . . . 1 343 GLU N 25113 1 9 . 1 1 20 20 HIS N N 15 0.035 0.00155 . . . 1 344 HIS N 25113 1 10 . 1 1 22 22 ALA N N 15 0.04313 0.000289 . . . 1 346 ALA N 25113 1 11 . 1 1 24 24 ASN N N 15 0.03251 0.000488 . . . 1 348 ASN N 25113 1 12 . 1 1 26 26 ARG N N 15 0.02883 0.00414 . . . 1 350 ARG N 25113 1 13 . 1 1 28 28 ILE N N 15 0.02585 0.00195 . . . 1 352 ILE N 25113 1 14 . 1 1 29 29 ASP N N 15 0.02686 0.0033 . . . 1 353 ASP N 25113 1 15 . 1 1 30 30 PHE N N 15 0.03012 0.000392 . . . 1 354 PHE N 25113 1 16 . 1 1 31 31 GLN N N 15 0.03587 0.00177 . . . 1 355 GLN N 25113 1 17 . 1 1 32 32 MET N N 15 0.03841 0.00277 . . . 1 356 MET N 25113 1 18 . 1 1 36 36 LYS N N 15 0.04714 0.00178 . . . 1 360 LYS N 25113 1 19 . 1 1 37 37 GLY N N 15 0.03774 0.00218 . . . 1 361 GLY N 25113 1 20 . 1 1 49 49 GLU N N 15 0.02289 0.000805 . . . 1 373 GLU N 25113 1 21 . 1 1 52 52 THR N N 15 0.03248 0.00352 . . . 1 376 THR N 25113 1 22 . 1 1 54 54 ILE N N 15 0.03159 0.00111 . . . 1 378 ILE N 25113 1 23 . 1 1 55 55 PHE N N 15 0.03345 0.00311 . . . 1 379 PHE N 25113 1 24 . 1 1 58 58 THR N N 15 0.04432 0.00129 . . . 1 382 THR N 25113 1 25 . 1 1 59 59 GLY N N 15 0.0409 0.000826 . . . 1 383 GLY N 25113 1 26 . 1 1 61 61 ILE N N 15 0.03826 0.00346 . . . 1 385 ILE N 25113 1 27 . 1 1 62 62 ILE N N 15 0.0315 0.000651 . . . 1 386 ILE N 25113 1 28 . 1 1 63 63 GLU N N 15 0.04199 0.0032 . . . 1 387 GLU N 25113 1 29 . 1 1 67 67 LYS N N 15 0.08343 0.0065 . . . 1 391 LYS N 25113 1 30 . 1 1 69 69 ALA N N 15 0.03341 0.000997 . . . 1 393 ALA N 25113 1 31 . 1 1 70 70 SER N N 15 0.03555 0.00529 . . . 1 394 SER N 25113 1 32 . 1 1 72 72 TRP N N 15 0.02702 0.00134 . . . 1 396 TRP N 25113 1 33 . 1 1 78 78 TYR N N 15 0.04461 0.00359 . . . 1 402 TYR N 25113 1 34 . 1 1 79 79 GLU N N 15 0.03919 0.00232 . . . 1 403 GLU N 25113 1 35 . 1 1 80 80 GLY N N 15 0.03691 0.000538 . . . 1 404 GLY N 25113 1 36 . 1 1 81 81 ASP N N 15 0.03759 0.00275 . . . 1 405 ASP N 25113 1 37 . 1 1 83 83 LYS N N 15 0.04002 0.00167 . . . 1 407 LYS N 25113 1 38 . 1 1 84 84 LEU N N 15 0.03294 0.00335 . . . 1 408 LEU N 25113 1 39 . 1 1 86 86 VAL N N 15 0.03293 0.00172 . . . 1 410 VAL N 25113 1 40 . 1 1 87 87 GLU N N 15 0.03535 0.00177 . . . 1 411 GLU N 25113 1 41 . 1 1 88 88 LEU N N 15 0.03417 0.0032 . . . 1 412 LEU N 25113 1 42 . 1 1 90 90 SER N N 15 0.03803 0.000829 . . . 1 414 SER N 25113 1 43 . 1 1 91 91 TYR N N 15 0.0348 0.000671 . . . 1 415 TYR N 25113 1 44 . 1 1 92 92 ASP N N 15 0.03623 0.000334 . . . 1 416 ASP N 25113 1 45 . 1 1 94 94 ASP N N 15 0.04751 0.00206 . . . 1 418 ASP N 25113 1 46 . 1 1 96 96 ASP N N 15 0.03407 0.00139 . . . 1 420 ASP N 25113 1 47 . 1 1 97 97 TYR N N 15 0.03948 0.00124 . . . 1 421 TYR N 25113 1 48 . 1 1 99 99 TYR N N 15 0.03636 0.000752 . . . 1 423 TYR N 25113 1 49 . 1 1 101 101 ARG N N 15 0.03614 0.00198 . . . 1 425 ARG N 25113 1 50 . 1 1 104 104 VAL N N 15 0.03678 0.00122 . . . 1 428 VAL N 25113 1 51 . 1 1 105 105 SER N N 15 0.04065 0.00194 . . . 1 429 SER N 25113 1 52 . 1 1 106 106 ASN N N 15 0.03454 0.00381 . . . 1 430 ASN N 25113 1 53 . 1 1 107 107 GLY N N 15 0.03472 0.00265 . . . 1 431 GLY N 25113 1 54 . 1 1 110 110 GLU N N 15 0.03697 0.00107 . . . 1 434 GLU N 25113 1 55 . 1 1 111 111 VAL N N 15 0.03655 0.00195 . . . 1 435 VAL N 25113 1 56 . 1 1 112 112 LYS N N 15 0.03672 0.0015 . . . 1 436 LYS N 25113 1 57 . 1 1 119 119 TYR N N 15 0.04385 0.00106 . . . 1 443 TYR N 25113 1 58 . 1 1 120 120 GLY N N 15 0.03043 0.000888 . . . 1 444 GLY N 25113 1 59 . 1 1 121 121 GLU N N 15 0.03554 0.000817 . . . 1 445 GLU N 25113 1 60 . 1 1 122 122 ASN N N 15 0.04573 0.000573 . . . 1 446 ASN N 25113 1 61 . 1 1 133 133 VAL N N 15 0.04227 0.00453 . . . 1 457 VAL N 25113 1 62 . 1 1 134 134 PHE N N 15 0.02899 0.00212 . . . 1 458 PHE N 25113 1 63 . 1 1 136 136 GLN N N 15 0.02522 0.000845 . . . 1 460 GLN N 25113 1 64 . 1 1 139 139 THR N N 15 0.03221 0.00181 . . . 1 463 THR N 25113 1 65 . 1 1 141 141 ASN N N 15 0.03044 0.000927 . . . 1 465 ASN N 25113 1 66 . 1 1 143 143 ASP N N 15 0.02695 0.000317 . . . 1 467 ASP N 25113 1 67 . 1 1 146 146 VAL N N 15 0.04791 0.00186 . . . 1 470 VAL N 25113 1 68 . 1 1 157 157 LEU N N 15 0.02701 0.0042 . . . 1 481 LEU N 25113 1 69 . 1 1 158 158 ALA N N 15 0.02435 0.00192 . . . 1 482 ALA N 25113 1 70 . 1 1 162 162 LYS N N 15 0.02144 0.00159 . . . 1 486 LYS N 25113 1 71 . 1 1 163 163 ALA N N 15 0.02375 0.00149 . . . 1 487 ALA N 25113 1 72 . 1 1 165 165 THR N N 15 0.02789 0.00116 . . . 1 489 THR N 25113 1 73 . 1 1 170 170 VAL N N 15 0.02336 0.00102 . . . 1 494 VAL N 25113 1 74 . 1 1 174 174 GLU N N 15 0.02475 0.00249 . . . 1 498 GLU N 25113 1 75 . 1 1 176 176 LEU N N 15 0.02866 0.00173 . . . 1 500 LEU N 25113 1 76 . 1 1 179 179 LYS N N 15 0.02451 0.000942 . . . 1 503 LYS N 25113 1 77 . 1 1 180 180 LEU N N 15 0.02649 0.00218 . . . 1 504 LEU N 25113 1 78 . 1 1 183 183 LYS N N 15 0.02357 0.00339 . . . 1 507 LYS N 25113 1 79 . 1 1 188 188 TYR N N 15 0.02687 0.00353 . . . 1 512 TYR N 25113 1 80 . 1 1 189 189 LYS N N 15 0.02267 0.00302 . . . 1 513 LYS N 25113 1 81 . 1 1 191 191 LYS N N 15 0.02229 0.00155 . . . 1 515 LYS N 25113 1 82 . 1 1 197 197 VAL N N 15 0.02676 0.00161 . . . 1 521 VAL N 25113 1 83 . 1 1 208 208 THR N N 15 0.02399 0.00199 . . . 1 532 THR N 25113 1 84 . 1 1 209 209 GLU N N 15 0.02953 0.00101 . . . 1 533 GLU N 25113 1 85 . 1 1 212 212 ASN N N 15 0.03319 0.00254 . . . 1 536 ASN N 25113 1 86 . 1 1 213 213 VAL N N 15 0.02956 0.0018 . . . 1 537 VAL N 25113 1 87 . 1 1 214 214 THR N N 15 0.0258 0.00097 . . . 1 538 THR N 25113 1 88 . 1 1 216 216 THR N N 15 0.02701 0.00308 . . . 1 540 THR N 25113 1 89 . 1 1 217 217 ASN N N 15 0.02033 0.00214 . . . 1 541 ASN N 25113 1 90 . 1 1 218 218 ASP N N 15 0.02429 0.00105 . . . 1 542 ASP N 25113 1 91 . 1 1 219 219 GLN N N 15 0.04573 0.00297 . . . 1 543 GLN N 25113 1 92 . 1 1 221 221 THR N N 15 0.02918 0.00117 . . . 1 545 THR N 25113 1 93 . 1 1 223 223 LEU N N 15 0.04893 0.0011 . . . 1 547 LEU N 25113 1 94 . 1 1 226 226 ALA N N 15 0.02845 0.00198 . . . 1 550 ALA N 25113 1 95 . 1 1 227 227 HIS N N 15 0.03625 0.00132 . . . 1 551 HIS N 25113 1 96 . 1 1 233 233 SER N N 15 0.0371 0.00146 . . . 1 557 SER N 25113 1 97 . 1 1 235 235 GLU N N 15 0.04456 0.000559 . . . 1 559 GLU N 25113 1 98 . 1 1 237 237 SER N N 15 0.03383 0.000796 . . . 1 561 SER N 25113 1 99 . 1 1 238 238 GLU N N 15 0.02903 0.00147 . . . 1 562 GLU N 25113 1 100 . 1 1 243 243 GLY N N 15 0.0246 0.00155 . . . 1 567 GLY N 25113 1 101 . 1 1 244 244 PHE N N 15 0.02929 0.00344 . . . 1 568 PHE N 25113 1 102 . 1 1 245 245 VAL N N 15 0.02574 0.00146 . . . 1 569 VAL N 25113 1 103 . 1 1 250 250 TYR N N 15 0.02988 0.00204 . . . 1 574 TYR N 25113 1 104 . 1 1 251 251 THR N N 15 0.0342 0.00227 . . . 1 575 THR N 25113 1 105 . 1 1 252 252 ALA N N 15 0.02727 0.00109 . . . 1 576 ALA N 25113 1 106 . 1 1 253 253 THR N N 15 0.02678 0.00111 . . . 1 577 THR N 25113 1 107 . 1 1 254 254 LEU N N 15 0.02513 0.00174 . . . 1 578 LEU N 25113 1 108 . 1 1 256 256 GLY N N 15 0.0395 0.000849 . . . 1 580 GLY N 25113 1 109 . 1 1 261 261 VAL N N 15 0.0378 0.00221 . . . 1 585 VAL N 25113 1 110 . 1 1 262 262 MET N N 15 0.02609 0.00276 . . . 1 586 MET N 25113 1 111 . 1 1 264 264 THR N N 15 0.02367 0.00231 . . . 1 588 THR N 25113 1 112 . 1 1 265 265 LYS N N 15 0.02191 0.00204 . . . 1 589 LYS N 25113 1 113 . 1 1 266 266 ASP N N 15 0.02627 0.00197 . . . 1 590 ASP N 25113 1 114 . 1 1 268 268 SER N N 15 0.02642 0.00138 . . . 1 592 SER N 25113 1 115 . 1 1 269 269 TYR N N 15 0.02148 0.00161 . . . 1 593 TYR N 25113 1 116 . 1 1 275 275 VAL N N 15 0.02793 0.00151 . . . 1 599 VAL N 25113 1 117 . 1 1 277 277 GLY N N 15 0.03374 0.000985 . . . 1 601 GLY N 25113 1 118 . 1 1 284 284 SER N N 15 0.03306 0.00443 . . . 1 608 SER N 25113 1 119 . 1 1 285 285 LYS N N 15 0.0259 0.00157 . . . 1 609 LYS N 25113 1 120 . 1 1 289 289 ASN N N 15 0.03307 0.00162 . . . 1 613 ASN N 25113 1 121 . 1 1 296 296 PHE N N 15 0.02552 0.00319 . . . 1 620 PHE N 25113 1 122 . 1 1 299 299 ILE N N 15 0.03176 0.00257 . . . 1 623 ILE N 25113 1 123 . 1 1 302 302 LYS N N 15 0.02932 0.00132 . . . 1 626 LYS N 25113 1 124 . 1 1 303 303 ALA N N 15 0.03307 0.000707 . . . 1 627 ALA N 25113 1 125 . 1 1 304 304 VAL N N 15 0.03384 0.000422 . . . 1 628 VAL N 25113 1 126 . 1 1 306 306 ASN N N 15 0.03572 0.00354 . . . 1 630 ASN N 25113 1 127 . 1 1 314 314 ALA N N 15 0.03666 0.000804 . . . 1 638 ALA N 25113 1 128 . 1 1 316 316 ILE N N 15 0.02892 0.00142 . . . 1 640 ILE N 25113 1 129 . 1 1 317 317 GLY N N 15 0.04175 0.000759 . . . 1 641 GLY N 25113 1 130 . 1 1 318 318 ALA N N 15 0.04956 0.000301 . . . 1 642 ALA N 25113 1 131 . 1 1 319 319 GLU N N 15 0.05152 0.000481 . . . 1 643 GLU N 25113 1 132 . 1 1 320 320 GLY N N 15 0.03244 0.000904 . . . 1 644 GLY N 25113 1 133 . 1 1 321 321 GLN N N 15 0.02251 0.000577 . . . 1 645 GLN N 25113 1 134 . 1 1 322 322 TYR N N 15 0.03033 0.00371 . . . 1 646 TYR N 25113 1 135 . 1 1 324 324 VAL N N 15 0.02404 0.000723 . . . 1 648 VAL N 25113 1 136 . 1 1 326 326 ILE N N 15 0.03281 0.00181 . . . 1 650 ILE N 25113 1 137 . 1 1 327 327 ILE N N 15 0.02894 0.00393 . . . 1 651 ILE N 25113 1 138 . 1 1 328 328 ASN N N 15 0.03238 0.00497 . . . 1 652 ASN N 25113 1 139 . 1 1 331 331 ILE N N 15 0.03577 0.000342 . . . 1 655 ILE N 25113 1 140 . 1 1 333 333 THR N N 15 0.1101 0.00481 . . . 1 657 THR N 25113 1 141 . 1 1 335 335 ASP N N 15 0.2361 0.00646 . . . 1 659 ASP N 25113 1 142 . 1 1 336 336 ASP N N 15 0.5902 0.0283 . . . 1 660 ASP N 25113 1 stop_ save_