data_16541 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16541 _Entry.Title ; Assignment of the Orphan Nuclear Receptor Nurr1 by NMR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-10-06 _Entry.Accession_date 2009-10-06 _Entry.Last_release_date 2010-10-06 _Entry.Original_release_date 2010-10-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Paul Michiels . . . 16541 2 Karen Atkins . . . 16541 3 Christian Ludwig . . . 16541 4 Sara Whittaker . . . 16541 5 Maria vanDongen . . . 16541 6 Ulrich Gunther . . . 16541 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16541 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 566 16541 '15N chemical shifts' 196 16541 '1H chemical shifts' 195 16541 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 . . 2010-10-06 2009-10-06 original author . 16541 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16541 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20300892 _Citation.Full_citation . _Citation.Title 'Assignment of the orphan nuclear receptor Nurr1 by NMR.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 4 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 101 _Citation.Page_last 105 _Citation.Year 2010 _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.Entry_ID _Citation_author.Citation_ID 1 Paul Michiels . . . 16541 1 2 Karen Atkins . . . 16541 1 3 Christian Ludwig . . . 16541 1 4 Sara Whittaker . . . 16541 1 5 Maria 'van Dongen' . . . 16541 1 6 Ulrich Gunther . . . 16541 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NR4A2 16541 1 Nurr1 16541 1 'Orphan Nuclear Receptor' 16541 1 'Parkinson's Disease' 16541 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16541 _Assembly.ID 1 _Assembly.Name 'Nurr1 monomer' _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 28220 _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 subunit_1 1 $Nurr1 A . yes native no no . . . 16541 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Nurr1 _Entity.Sf_category entity _Entity.Sf_framecode Nurr1 _Entity.Entry_ID 16541 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Nurr1 _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 ; GPLGSQEPSPPSPPVSLISA LVRAHVDSNPAMTSLDYSRF QANPDYQMSGDDTQHIQQFY DLLTGSMEIIRGWAEKIPGF ADLPKADQDLLFESAFLELF VLRLAYRSNPVEGKLIFCNG VVLHRLQCVRGFGEWIDSIV EFSSNLQNMNIDISAFSCIA ALAMVTERHGLKEPKRVEEL QNKIVNCLKDHVTFNNGGLN RPNYLSKLLGKLPELRTLCT QGLQRIFYLKLEDLVPPPAI IDKLFLDTLPF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 251 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1OVL . "Crystal Structure Of Nurr1 Lbd" . . . . . 99.60 271 98.00 98.00 3.35e-178 . . . . 16541 1 2 no DBJ BAA75666 . "Nurr1 [Homo sapiens]" . . . . . 99.60 598 98.80 98.80 1.05e-175 . . . . 16541 1 3 no DBJ BAA77328 . "T-cell nuclear receptor NOT (Nurr1) [Homo sapiens]" . . . . . 99.60 598 98.80 98.80 1.05e-175 . . . . 16541 1 4 no DBJ BAD97345 . "nuclear receptor subfamily 4, group A, member 2 isoform a variant [Homo sapiens]" . . . . . 99.60 598 98.80 98.80 1.04e-175 . . . . 16541 1 5 no DBJ BAE34579 . "unnamed protein product [Mus musculus]" . . . . . 99.60 598 98.40 98.80 3.18e-175 . . . . 16541 1 6 no DBJ BAF84145 . "unnamed protein product [Homo sapiens]" . . . . . 99.60 535 98.80 98.80 7.59e-176 . . . . 16541 1 7 no EMBL CAA53518 . "NOT [Homo sapiens]" . . . . . 99.60 598 98.80 98.80 1.05e-175 . . . . 16541 1 8 no EMBL CAH92832 . "hypothetical protein [Pongo abelii]" . . . . . 99.60 598 98.40 98.40 3.84e-174 . . . . 16541 1 9 no GB AAA42058 . "nuclear receptor [Rattus norvegicus]" . . . . . 91.24 597 98.69 99.13 2.09e-160 . . . . 16541 1 10 no GB AAB25138 . "Nur-related factor 1 [Mus sp.]" . . . . . 99.60 598 98.40 98.80 3.18e-175 . . . . 16541 1 11 no GB AAB33999 . "NGFI-B/nur77 beta-type transcription factor homolog [Homo sapiens]" . . . . . 99.60 535 98.00 98.00 5.35e-173 . . . . 16541 1 12 no GB AAC52143 . "nuclear orphan receptor HZF-3 [Rattus norvegicus]" . . . . . 99.60 598 98.40 98.80 3.15e-175 . . . . 16541 1 13 no GB AAC53153 . "steroid/thyroid hormone orphan nuclear receptor [Mus musculus]" . . . . . 99.60 598 98.40 98.80 3.18e-175 . . . . 16541 1 14 no REF NP_001069676 . "nuclear receptor subfamily 4 group A member 2 [Bos taurus]" . . . . . 99.60 598 98.40 98.40 4.13e-175 . . . . 16541 1 15 no REF NP_001132981 . "nuclear receptor subfamily 4 group A member 2 [Mus musculus]" . . . . . 99.60 598 98.40 98.80 3.18e-175 . . . . 16541 1 16 no REF NP_001177205 . "nuclear receptor subfamily 4 group A member 2 [Sus scrofa]" . . . . . 99.60 598 98.40 98.40 1.24e-174 . . . . 16541 1 17 no REF NP_001253839 . "nuclear receptor subfamily 4 group A member 2 [Macaca mulatta]" . . . . . 99.60 598 98.80 98.80 8.91e-176 . . . . 16541 1 18 no REF NP_006177 . "nuclear receptor subfamily 4 group A member 2 [Homo sapiens]" . . . . . 99.60 598 98.80 98.80 1.05e-175 . . . . 16541 1 19 no SP P43354 . "RecName: Full=Nuclear receptor subfamily 4 group A member 2; AltName: Full=Immediate-early response protein NOT; AltName: Full=" . . . . . 99.60 598 98.80 98.80 1.05e-175 . . . . 16541 1 20 no SP Q06219 . "RecName: Full=Nuclear receptor subfamily 4 group A member 2; AltName: Full=NUR-related factor 1; AltName: Full=Orphan nuclear r" . . . . . 99.60 598 98.40 98.80 3.18e-175 . . . . 16541 1 21 no SP Q07917 . "RecName: Full=Nuclear receptor subfamily 4 group A member 2; AltName: Full=NUR-related factor 1; AltName: Full=Nuclear orphan r" . . . . . 99.60 598 98.40 98.80 3.11e-175 . . . . 16541 1 22 no SP Q08E53 . "RecName: Full=Nuclear receptor subfamily 4 group A member 2" . . . . . 99.60 598 98.40 98.40 4.13e-175 . . . . 16541 1 23 no SP Q5R5Y4 . "RecName: Full=Nuclear receptor subfamily 4 group A member 2" . . . . . 99.60 598 98.40 98.40 3.84e-174 . . . . 16541 1 24 no TPG DAA32695 . "TPA: nuclear receptor subfamily 4 group A member 2 [Bos taurus]" . . . . . 99.60 598 98.40 98.40 4.13e-175 . . . . 16541 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 1 348 GLY . 16541 1 2 349 PRO . 16541 1 3 350 LEU . 16541 1 4 351 GLY . 16541 1 5 352 SER . 16541 1 6 353 GLN . 16541 1 7 354 GLU . 16541 1 8 355 PRO . 16541 1 9 356 SER . 16541 1 10 357 PRO . 16541 1 11 358 PRO . 16541 1 12 359 SER . 16541 1 13 360 PRO . 16541 1 14 361 PRO . 16541 1 15 362 VAL . 16541 1 16 363 SER . 16541 1 17 364 LEU . 16541 1 18 365 ILE . 16541 1 19 366 SER . 16541 1 20 367 ALA . 16541 1 21 368 LEU . 16541 1 22 369 VAL . 16541 1 23 370 ARG . 16541 1 24 371 ALA . 16541 1 25 372 HIS . 16541 1 26 373 VAL . 16541 1 27 374 ASP . 16541 1 28 375 SER . 16541 1 29 376 ASN . 16541 1 30 377 PRO . 16541 1 31 378 ALA . 16541 1 32 379 MET . 16541 1 33 380 THR . 16541 1 34 381 SER . 16541 1 35 382 LEU . 16541 1 36 383 ASP . 16541 1 37 384 TYR . 16541 1 38 385 SER . 16541 1 39 386 ARG . 16541 1 40 387 PHE . 16541 1 41 388 GLN . 16541 1 42 389 ALA . 16541 1 43 390 ASN . 16541 1 44 391 PRO . 16541 1 45 392 ASP . 16541 1 46 393 TYR . 16541 1 47 394 GLN . 16541 1 48 395 MET . 16541 1 49 396 SER . 16541 1 50 397 GLY . 16541 1 51 398 ASP . 16541 1 52 399 ASP . 16541 1 53 400 THR . 16541 1 54 401 GLN . 16541 1 55 402 HIS . 16541 1 56 403 ILE . 16541 1 57 404 GLN . 16541 1 58 405 GLN . 16541 1 59 406 PHE . 16541 1 60 407 TYR . 16541 1 61 408 ASP . 16541 1 62 409 LEU . 16541 1 63 410 LEU . 16541 1 64 411 THR . 16541 1 65 412 GLY . 16541 1 66 413 SER . 16541 1 67 414 MET . 16541 1 68 415 GLU . 16541 1 69 416 ILE . 16541 1 70 417 ILE . 16541 1 71 418 ARG . 16541 1 72 419 GLY . 16541 1 73 420 TRP . 16541 1 74 421 ALA . 16541 1 75 422 GLU . 16541 1 76 423 LYS . 16541 1 77 424 ILE . 16541 1 78 425 PRO . 16541 1 79 426 GLY . 16541 1 80 427 PHE . 16541 1 81 428 ALA . 16541 1 82 429 ASP . 16541 1 83 430 LEU . 16541 1 84 431 PRO . 16541 1 85 432 LYS . 16541 1 86 433 ALA . 16541 1 87 434 ASP . 16541 1 88 435 GLN . 16541 1 89 436 ASP . 16541 1 90 437 LEU . 16541 1 91 438 LEU . 16541 1 92 439 PHE . 16541 1 93 440 GLU . 16541 1 94 441 SER . 16541 1 95 442 ALA . 16541 1 96 443 PHE . 16541 1 97 444 LEU . 16541 1 98 445 GLU . 16541 1 99 446 LEU . 16541 1 100 447 PHE . 16541 1 101 448 VAL . 16541 1 102 449 LEU . 16541 1 103 450 ARG . 16541 1 104 451 LEU . 16541 1 105 452 ALA . 16541 1 106 453 TYR . 16541 1 107 454 ARG . 16541 1 108 455 SER . 16541 1 109 456 ASN . 16541 1 110 457 PRO . 16541 1 111 458 VAL . 16541 1 112 459 GLU . 16541 1 113 460 GLY . 16541 1 114 461 LYS . 16541 1 115 462 LEU . 16541 1 116 463 ILE . 16541 1 117 464 PHE . 16541 1 118 465 CYS . 16541 1 119 466 ASN . 16541 1 120 467 GLY . 16541 1 121 468 VAL . 16541 1 122 469 VAL . 16541 1 123 470 LEU . 16541 1 124 471 HIS . 16541 1 125 472 ARG . 16541 1 126 473 LEU . 16541 1 127 474 GLN . 16541 1 128 475 CYS . 16541 1 129 476 VAL . 16541 1 130 477 ARG . 16541 1 131 478 GLY . 16541 1 132 479 PHE . 16541 1 133 480 GLY . 16541 1 134 481 GLU . 16541 1 135 482 TRP . 16541 1 136 483 ILE . 16541 1 137 484 ASP . 16541 1 138 485 SER . 16541 1 139 486 ILE . 16541 1 140 487 VAL . 16541 1 141 488 GLU . 16541 1 142 489 PHE . 16541 1 143 490 SER . 16541 1 144 491 SER . 16541 1 145 492 ASN . 16541 1 146 493 LEU . 16541 1 147 494 GLN . 16541 1 148 495 ASN . 16541 1 149 496 MET . 16541 1 150 497 ASN . 16541 1 151 498 ILE . 16541 1 152 499 ASP . 16541 1 153 500 ILE . 16541 1 154 501 SER . 16541 1 155 502 ALA . 16541 1 156 503 PHE . 16541 1 157 504 SER . 16541 1 158 505 CYS . 16541 1 159 506 ILE . 16541 1 160 507 ALA . 16541 1 161 508 ALA . 16541 1 162 509 LEU . 16541 1 163 510 ALA . 16541 1 164 511 MET . 16541 1 165 512 VAL . 16541 1 166 513 THR . 16541 1 167 514 GLU . 16541 1 168 515 ARG . 16541 1 169 516 HIS . 16541 1 170 517 GLY . 16541 1 171 518 LEU . 16541 1 172 519 LYS . 16541 1 173 520 GLU . 16541 1 174 521 PRO . 16541 1 175 522 LYS . 16541 1 176 523 ARG . 16541 1 177 524 VAL . 16541 1 178 525 GLU . 16541 1 179 526 GLU . 16541 1 180 527 LEU . 16541 1 181 528 GLN . 16541 1 182 529 ASN . 16541 1 183 530 LYS . 16541 1 184 531 ILE . 16541 1 185 532 VAL . 16541 1 186 533 ASN . 16541 1 187 534 CYS . 16541 1 188 535 LEU . 16541 1 189 536 LYS . 16541 1 190 537 ASP . 16541 1 191 538 HIS . 16541 1 192 539 VAL . 16541 1 193 540 THR . 16541 1 194 541 PHE . 16541 1 195 542 ASN . 16541 1 196 543 ASN . 16541 1 197 544 GLY . 16541 1 198 545 GLY . 16541 1 199 546 LEU . 16541 1 200 547 ASN . 16541 1 201 548 ARG . 16541 1 202 549 PRO . 16541 1 203 550 ASN . 16541 1 204 551 TYR . 16541 1 205 552 LEU . 16541 1 206 553 SER . 16541 1 207 554 LYS . 16541 1 208 555 LEU . 16541 1 209 556 LEU . 16541 1 210 557 GLY . 16541 1 211 558 LYS . 16541 1 212 559 LEU . 16541 1 213 560 PRO . 16541 1 214 561 GLU . 16541 1 215 562 LEU . 16541 1 216 563 ARG . 16541 1 217 564 THR . 16541 1 218 565 LEU . 16541 1 219 566 CYS . 16541 1 220 567 THR . 16541 1 221 568 GLN . 16541 1 222 569 GLY . 16541 1 223 570 LEU . 16541 1 224 571 GLN . 16541 1 225 572 ARG . 16541 1 226 573 ILE . 16541 1 227 574 PHE . 16541 1 228 575 TYR . 16541 1 229 576 LEU . 16541 1 230 577 LYS . 16541 1 231 578 LEU . 16541 1 232 579 GLU . 16541 1 233 580 ASP . 16541 1 234 581 LEU . 16541 1 235 582 VAL . 16541 1 236 583 PRO . 16541 1 237 584 PRO . 16541 1 238 585 PRO . 16541 1 239 586 ALA . 16541 1 240 587 ILE . 16541 1 241 588 ILE . 16541 1 242 589 ASP . 16541 1 243 590 LYS . 16541 1 244 591 LEU . 16541 1 245 592 PHE . 16541 1 246 593 LEU . 16541 1 247 594 ASP . 16541 1 248 595 THR . 16541 1 249 596 LEU . 16541 1 250 597 PRO . 16541 1 251 598 PHE . 16541 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16541 1 . PRO 2 2 16541 1 . LEU 3 3 16541 1 . GLY 4 4 16541 1 . SER 5 5 16541 1 . GLN 6 6 16541 1 . GLU 7 7 16541 1 . PRO 8 8 16541 1 . SER 9 9 16541 1 . PRO 10 10 16541 1 . PRO 11 11 16541 1 . SER 12 12 16541 1 . PRO 13 13 16541 1 . PRO 14 14 16541 1 . VAL 15 15 16541 1 . SER 16 16 16541 1 . LEU 17 17 16541 1 . ILE 18 18 16541 1 . SER 19 19 16541 1 . ALA 20 20 16541 1 . LEU 21 21 16541 1 . VAL 22 22 16541 1 . ARG 23 23 16541 1 . ALA 24 24 16541 1 . HIS 25 25 16541 1 . VAL 26 26 16541 1 . ASP 27 27 16541 1 . SER 28 28 16541 1 . ASN 29 29 16541 1 . PRO 30 30 16541 1 . ALA 31 31 16541 1 . MET 32 32 16541 1 . THR 33 33 16541 1 . SER 34 34 16541 1 . LEU 35 35 16541 1 . ASP 36 36 16541 1 . TYR 37 37 16541 1 . SER 38 38 16541 1 . ARG 39 39 16541 1 . PHE 40 40 16541 1 . GLN 41 41 16541 1 . ALA 42 42 16541 1 . ASN 43 43 16541 1 . PRO 44 44 16541 1 . ASP 45 45 16541 1 . TYR 46 46 16541 1 . GLN 47 47 16541 1 . MET 48 48 16541 1 . SER 49 49 16541 1 . GLY 50 50 16541 1 . ASP 51 51 16541 1 . ASP 52 52 16541 1 . THR 53 53 16541 1 . GLN 54 54 16541 1 . HIS 55 55 16541 1 . ILE 56 56 16541 1 . GLN 57 57 16541 1 . GLN 58 58 16541 1 . PHE 59 59 16541 1 . TYR 60 60 16541 1 . ASP 61 61 16541 1 . LEU 62 62 16541 1 . LEU 63 63 16541 1 . THR 64 64 16541 1 . GLY 65 65 16541 1 . SER 66 66 16541 1 . MET 67 67 16541 1 . GLU 68 68 16541 1 . ILE 69 69 16541 1 . ILE 70 70 16541 1 . ARG 71 71 16541 1 . GLY 72 72 16541 1 . TRP 73 73 16541 1 . ALA 74 74 16541 1 . GLU 75 75 16541 1 . LYS 76 76 16541 1 . ILE 77 77 16541 1 . PRO 78 78 16541 1 . GLY 79 79 16541 1 . PHE 80 80 16541 1 . ALA 81 81 16541 1 . ASP 82 82 16541 1 . LEU 83 83 16541 1 . PRO 84 84 16541 1 . LYS 85 85 16541 1 . ALA 86 86 16541 1 . ASP 87 87 16541 1 . GLN 88 88 16541 1 . ASP 89 89 16541 1 . LEU 90 90 16541 1 . LEU 91 91 16541 1 . PHE 92 92 16541 1 . GLU 93 93 16541 1 . SER 94 94 16541 1 . ALA 95 95 16541 1 . PHE 96 96 16541 1 . LEU 97 97 16541 1 . GLU 98 98 16541 1 . LEU 99 99 16541 1 . PHE 100 100 16541 1 . VAL 101 101 16541 1 . LEU 102 102 16541 1 . ARG 103 103 16541 1 . LEU 104 104 16541 1 . ALA 105 105 16541 1 . TYR 106 106 16541 1 . ARG 107 107 16541 1 . SER 108 108 16541 1 . ASN 109 109 16541 1 . PRO 110 110 16541 1 . VAL 111 111 16541 1 . GLU 112 112 16541 1 . GLY 113 113 16541 1 . LYS 114 114 16541 1 . LEU 115 115 16541 1 . ILE 116 116 16541 1 . PHE 117 117 16541 1 . CYS 118 118 16541 1 . ASN 119 119 16541 1 . GLY 120 120 16541 1 . VAL 121 121 16541 1 . VAL 122 122 16541 1 . LEU 123 123 16541 1 . HIS 124 124 16541 1 . ARG 125 125 16541 1 . LEU 126 126 16541 1 . GLN 127 127 16541 1 . CYS 128 128 16541 1 . VAL 129 129 16541 1 . ARG 130 130 16541 1 . GLY 131 131 16541 1 . PHE 132 132 16541 1 . GLY 133 133 16541 1 . GLU 134 134 16541 1 . TRP 135 135 16541 1 . ILE 136 136 16541 1 . ASP 137 137 16541 1 . SER 138 138 16541 1 . ILE 139 139 16541 1 . VAL 140 140 16541 1 . GLU 141 141 16541 1 . PHE 142 142 16541 1 . SER 143 143 16541 1 . SER 144 144 16541 1 . ASN 145 145 16541 1 . LEU 146 146 16541 1 . GLN 147 147 16541 1 . ASN 148 148 16541 1 . MET 149 149 16541 1 . ASN 150 150 16541 1 . ILE 151 151 16541 1 . ASP 152 152 16541 1 . ILE 153 153 16541 1 . SER 154 154 16541 1 . ALA 155 155 16541 1 . PHE 156 156 16541 1 . SER 157 157 16541 1 . CYS 158 158 16541 1 . ILE 159 159 16541 1 . ALA 160 160 16541 1 . ALA 161 161 16541 1 . LEU 162 162 16541 1 . ALA 163 163 16541 1 . MET 164 164 16541 1 . VAL 165 165 16541 1 . THR 166 166 16541 1 . GLU 167 167 16541 1 . ARG 168 168 16541 1 . HIS 169 169 16541 1 . GLY 170 170 16541 1 . LEU 171 171 16541 1 . LYS 172 172 16541 1 . GLU 173 173 16541 1 . PRO 174 174 16541 1 . LYS 175 175 16541 1 . ARG 176 176 16541 1 . VAL 177 177 16541 1 . GLU 178 178 16541 1 . GLU 179 179 16541 1 . LEU 180 180 16541 1 . GLN 181 181 16541 1 . ASN 182 182 16541 1 . LYS 183 183 16541 1 . ILE 184 184 16541 1 . VAL 185 185 16541 1 . ASN 186 186 16541 1 . CYS 187 187 16541 1 . LEU 188 188 16541 1 . LYS 189 189 16541 1 . ASP 190 190 16541 1 . HIS 191 191 16541 1 . VAL 192 192 16541 1 . THR 193 193 16541 1 . PHE 194 194 16541 1 . ASN 195 195 16541 1 . ASN 196 196 16541 1 . GLY 197 197 16541 1 . GLY 198 198 16541 1 . LEU 199 199 16541 1 . ASN 200 200 16541 1 . ARG 201 201 16541 1 . PRO 202 202 16541 1 . ASN 203 203 16541 1 . TYR 204 204 16541 1 . LEU 205 205 16541 1 . SER 206 206 16541 1 . LYS 207 207 16541 1 . LEU 208 208 16541 1 . LEU 209 209 16541 1 . GLY 210 210 16541 1 . LYS 211 211 16541 1 . LEU 212 212 16541 1 . PRO 213 213 16541 1 . GLU 214 214 16541 1 . LEU 215 215 16541 1 . ARG 216 216 16541 1 . THR 217 217 16541 1 . LEU 218 218 16541 1 . CYS 219 219 16541 1 . THR 220 220 16541 1 . GLN 221 221 16541 1 . GLY 222 222 16541 1 . LEU 223 223 16541 1 . GLN 224 224 16541 1 . ARG 225 225 16541 1 . ILE 226 226 16541 1 . PHE 227 227 16541 1 . TYR 228 228 16541 1 . LEU 229 229 16541 1 . LYS 230 230 16541 1 . LEU 231 231 16541 1 . GLU 232 232 16541 1 . ASP 233 233 16541 1 . LEU 234 234 16541 1 . VAL 235 235 16541 1 . PRO 236 236 16541 1 . PRO 237 237 16541 1 . PRO 238 238 16541 1 . ALA 239 239 16541 1 . ILE 240 240 16541 1 . ILE 241 241 16541 1 . ASP 242 242 16541 1 . LYS 243 243 16541 1 . LEU 244 244 16541 1 . PHE 245 245 16541 1 . LEU 246 246 16541 1 . ASP 247 247 16541 1 . THR 248 248 16541 1 . LEU 249 249 16541 1 . PRO 250 250 16541 1 . PHE 251 251 16541 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 16541 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Nurr1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16541 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 16541 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Nurr1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . . . . . . . . . . . pGEX-6P1 . . . . . . 16541 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16541 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Nurr1 '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $Nurr1 . . 500 . . uM . . . . 16541 1 2 H20 'natural abundance' . . . . . . 90 . . % . . . . 16541 1 3 D20 'natural abundance' . . . . . . 10 . . % . . . . 16541 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16541 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 16541 1 pH 7.1 . pH 16541 1 pressure 1 . atm 16541 1 temperature 326.7 . K 16541 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16541 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2009 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16541 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16541 1 stop_ save_ save_CCPNMR_analysis _Software.Sf_category software _Software.Sf_framecode CCPNMR_analysis _Software.Entry_ID 16541 _Software.ID 2 _Software.Name ANALYSIS _Software.Version '1.0 R15' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Vranken, Boucher, Stevens, Fogh, Pajon, Llinas, Ulrich, Markley, Ionides, Laue' . . 16541 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16541 2 'data analysis' 16541 2 'peak picking' 16541 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_gildor _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode gildor _NMR_spectrometer.Entry_ID 16541 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 16541 _NMR_spectrometer_list.ID 1 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 gildor Varian INOVA . 800 . . . 16541 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 16541 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $gildor . . . . . . . . . . . . . . . . 16541 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $gildor . . . . . . . . . . . . . . . . 16541 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $gildor . . . . . . . . . . . . . . . . 16541 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $gildor . . . . . . . . . . . . . . . . 16541 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $gildor . . . . . . . . . . . . . . . . 16541 1 6 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $gildor . . . . . . . . . . . . . . . . 16541 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 16541 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.251449530 . . . . . . . . . 16541 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 . . . . . . . . . 16541 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 . . . . . . . . . 16541 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 16541 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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' . . . 16541 1 2 '3D HNCO' . . . 16541 1 3 '3D HNCA' . . . 16541 1 4 '3D HNCACB' . . . 16541 1 5 '3D HN(CO)CA' . . . 16541 1 6 '3D HN(CO)CACB' . . . 16541 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 16541 1 2 $CCPNMR_analysis . . 16541 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 1 1 GLY H H 1 7.71917 0.00475 . 1 . . . . 348 GLY H . 16541 1 2 . 1 1 1 1 GLY N N 15 110.91011 0.03580 . 1 . . . . 348 GLY N . 16541 1 3 . 1 1 2 2 PRO C C 13 177.15541 0 . 1 . . . . 349 PRO C . 16541 1 4 . 1 1 2 2 PRO CA C 13 62.87861 0 . 1 . . . . 349 PRO CA . 16541 1 5 . 1 1 2 2 PRO CB C 13 29.02950 0 . 1 . . . . 349 PRO CB . 16541 1 6 . 1 1 3 3 LEU H H 1 8.48273 0.00227 . 1 . . . . 350 LEU H . 16541 1 7 . 1 1 3 3 LEU C C 13 178.09064 0 . 1 . . . . 350 LEU C . 16541 1 8 . 1 1 3 3 LEU CA C 13 55.27421 0.01210 . 1 . . . . 350 LEU CA . 16541 1 9 . 1 1 3 3 LEU CB C 13 41.59711 0.00222 . 1 . . . . 350 LEU CB . 16541 1 10 . 1 1 3 3 LEU N N 15 122.80884 0.04728 . 1 . . . . 350 LEU N . 16541 1 11 . 1 1 4 4 GLY H H 1 8.37637 0.00139 . 1 . . . . 351 GLY H . 16541 1 12 . 1 1 4 4 GLY CA C 13 45.04212 0 . 1 . . . . 351 GLY CA . 16541 1 13 . 1 1 4 4 GLY N N 15 110.47713 0.04362 . 1 . . . . 351 GLY N . 16541 1 14 . 1 1 6 6 GLN H H 1 8.42186 0.00280 . 1 . . . . 353 GLN H . 16541 1 15 . 1 1 6 6 GLN CA C 13 55.29268 0 . 1 . . . . 353 GLN CA . 16541 1 16 . 1 1 6 6 GLN CB C 13 29.08966 0.03960 . 1 . . . . 353 GLN CB . 16541 1 17 . 1 1 6 6 GLN N N 15 122.48918 0.04391 . 1 . . . . 353 GLN N . 16541 1 18 . 1 1 7 7 GLU H H 1 8.32776 0.00123 . 1 . . . . 354 GLU H . 16541 1 19 . 1 1 7 7 GLU CA C 13 54.22097 0 . 1 . . . . 354 GLU CA . 16541 1 20 . 1 1 7 7 GLU CB C 13 30.37857 0 . 1 . . . . 354 GLU CB . 16541 1 21 . 1 1 7 7 GLU N N 15 124.16445 0.07510 . 1 . . . . 354 GLU N . 16541 1 22 . 1 1 12 12 SER H H 1 8.03337 0.00176 . 1 . . . . 359 SER H . 16541 1 23 . 1 1 12 12 SER CA C 13 54.72104 0 . 1 . . . . 359 SER CA . 16541 1 24 . 1 1 12 12 SER CB C 13 64.28465 0 . 1 . . . . 359 SER CB . 16541 1 25 . 1 1 12 12 SER N N 15 116.10820 0.10787 . 1 . . . . 359 SER N . 16541 1 26 . 1 1 15 15 VAL H H 1 7.73524 0.00374 . 1 . . . . 362 VAL H . 16541 1 27 . 1 1 15 15 VAL C C 13 176.50256 0 . 1 . . . . 362 VAL C . 16541 1 28 . 1 1 15 15 VAL CA C 13 60.59564 0.02918 . 1 . . . . 362 VAL CA . 16541 1 29 . 1 1 15 15 VAL CB C 13 30.58374 0 . 1 . . . . 362 VAL CB . 16541 1 30 . 1 1 15 15 VAL N N 15 115.77764 0.05762 . 1 . . . . 362 VAL N . 16541 1 31 . 1 1 16 16 SER H H 1 7.26138 0.00148 . 1 . . . . 363 SER H . 16541 1 32 . 1 1 16 16 SER C C 13 177.34481 0 . 1 . . . . 363 SER C . 16541 1 33 . 1 1 16 16 SER CA C 13 65.48941 0 . 1 . . . . 363 SER CA . 16541 1 34 . 1 1 16 16 SER CB C 13 67.61414 0 . 1 . . . . 363 SER CB . 16541 1 35 . 1 1 16 16 SER N N 15 120.46969 0.04832 . 1 . . . . 363 SER N . 16541 1 36 . 1 1 17 17 LEU H H 1 8.27192 0.00705 . 1 . . . . 364 LEU H . 16541 1 37 . 1 1 17 17 LEU C C 13 178.85064 0 . 1 . . . . 364 LEU C . 16541 1 38 . 1 1 17 17 LEU CA C 13 58.05813 0.01562 . 1 . . . . 364 LEU CA . 16541 1 39 . 1 1 17 17 LEU CB C 13 40.48232 0 . 1 . . . . 364 LEU CB . 16541 1 40 . 1 1 17 17 LEU N N 15 120.26312 0.04870 . 1 . . . . 364 LEU N . 16541 1 41 . 1 1 18 18 ILE H H 1 8.49759 0.00361 . 1 . . . . 365 ILE H . 16541 1 42 . 1 1 18 18 ILE C C 13 176.77258 0 . 1 . . . . 365 ILE C . 16541 1 43 . 1 1 18 18 ILE CA C 13 64.10121 0.02011 . 1 . . . . 365 ILE CA . 16541 1 44 . 1 1 18 18 ILE CB C 13 37.45252 0.01831 . 1 . . . . 365 ILE CB . 16541 1 45 . 1 1 18 18 ILE N N 15 118.15130 0.06160 . 1 . . . . 365 ILE N . 16541 1 46 . 1 1 19 19 SER H H 1 7.55295 0.00221 . 1 . . . . 366 SER H . 16541 1 47 . 1 1 19 19 SER C C 13 177.47291 0 . 1 . . . . 366 SER C . 16541 1 48 . 1 1 19 19 SER CA C 13 61.36695 0.03245 . 1 . . . . 366 SER CA . 16541 1 49 . 1 1 19 19 SER CB C 13 62.42110 0.08946 . 1 . . . . 366 SER CB . 16541 1 50 . 1 1 19 19 SER N N 15 117.81211 0.07190 . 1 . . . . 366 SER N . 16541 1 51 . 1 1 20 20 ALA H H 1 8.03567 0.00348 . 1 . . . . 367 ALA H . 16541 1 52 . 1 1 20 20 ALA C C 13 181.31790 0 . 1 . . . . 367 ALA C . 16541 1 53 . 1 1 20 20 ALA CA C 13 54.51126 0 . 1 . . . . 367 ALA CA . 16541 1 54 . 1 1 20 20 ALA CB C 13 18.55810 0.02357 . 1 . . . . 367 ALA CB . 16541 1 55 . 1 1 20 20 ALA N N 15 125.74710 0.05579 . 1 . . . . 367 ALA N . 16541 1 56 . 1 1 21 21 LEU H H 1 8.54320 0.00424 . 1 . . . . 368 LEU H . 16541 1 57 . 1 1 21 21 LEU C C 13 180.40915 0 . 1 . . . . 368 LEU C . 16541 1 58 . 1 1 21 21 LEU CA C 13 57.89154 0.00565 . 1 . . . . 368 LEU CA . 16541 1 59 . 1 1 21 21 LEU CB C 13 40.19159 0.04939 . 1 . . . . 368 LEU CB . 16541 1 60 . 1 1 21 21 LEU N N 15 121.16823 0.06016 . 1 . . . . 368 LEU N . 16541 1 61 . 1 1 22 22 VAL H H 1 8.52112 0.00496 . 1 . . . . 369 VAL H . 16541 1 62 . 1 1 22 22 VAL C C 13 178.22388 0 . 1 . . . . 369 VAL C . 16541 1 63 . 1 1 22 22 VAL CA C 13 65.59396 0.02582 . 1 . . . . 369 VAL CA . 16541 1 64 . 1 1 22 22 VAL CB C 13 31.48970 0.06557 . 1 . . . . 369 VAL CB . 16541 1 65 . 1 1 22 22 VAL N N 15 124.17890 0.08379 . 1 . . . . 369 VAL N . 16541 1 66 . 1 1 23 23 ARG H H 1 8.22095 0.01875 . 1 . . . . 370 ARG H . 16541 1 67 . 1 1 23 23 ARG C C 13 177.91247 0 . 1 . . . . 370 ARG C . 16541 1 68 . 1 1 23 23 ARG CA C 13 58.82835 0.02421 . 1 . . . . 370 ARG CA . 16541 1 69 . 1 1 23 23 ARG CB C 13 29.00275 0.02150 . 1 . . . . 370 ARG CB . 16541 1 70 . 1 1 23 23 ARG N N 15 121.04480 0.10419 . 1 . . . . 370 ARG N . 16541 1 71 . 1 1 24 24 ALA H H 1 7.93946 0.00318 . 1 . . . . 371 ALA H . 16541 1 72 . 1 1 24 24 ALA C C 13 180.92237 0 . 1 . . . . 371 ALA C . 16541 1 73 . 1 1 24 24 ALA CA C 13 54.75400 0.00686 . 1 . . . . 371 ALA CA . 16541 1 74 . 1 1 24 24 ALA CB C 13 17.50914 0 . 1 . . . . 371 ALA CB . 16541 1 75 . 1 1 24 24 ALA N N 15 118.87304 0.11551 . 1 . . . . 371 ALA N . 16541 1 76 . 1 1 25 25 HIS H H 1 7.86661 0.00362 . 1 . . . . 372 HIS H . 16541 1 77 . 1 1 25 25 HIS C C 13 178.80242 0 . 1 . . . . 372 HIS C . 16541 1 78 . 1 1 25 25 HIS CA C 13 61.34501 0.06092 . 1 . . . . 372 HIS CA . 16541 1 79 . 1 1 25 25 HIS CB C 13 31.63540 0.03435 . 1 . . . . 372 HIS CB . 16541 1 80 . 1 1 25 25 HIS N N 15 118.80601 0.07753 . 1 . . . . 372 HIS N . 16541 1 81 . 1 1 26 26 VAL H H 1 9.52663 0.00278 . 1 . . . . 373 VAL H . 16541 1 82 . 1 1 26 26 VAL C C 13 179.73906 0 . 1 . . . . 373 VAL C . 16541 1 83 . 1 1 26 26 VAL CA C 13 66.93353 0.01456 . 1 . . . . 373 VAL CA . 16541 1 84 . 1 1 26 26 VAL CB C 13 31.44965 0.05497 . 1 . . . . 373 VAL CB . 16541 1 85 . 1 1 26 26 VAL N N 15 122.91788 0.04584 . 1 . . . . 373 VAL N . 16541 1 86 . 1 1 27 27 ASP H H 1 8.75764 0.00226 . 1 . . . . 374 ASP H . 16541 1 87 . 1 1 27 27 ASP C C 13 176.78011 0 . 1 . . . . 374 ASP C . 16541 1 88 . 1 1 27 27 ASP CA C 13 56.04571 0.02765 . 1 . . . . 374 ASP CA . 16541 1 89 . 1 1 27 27 ASP CB C 13 39.81380 0.04402 . 1 . . . . 374 ASP CB . 16541 1 90 . 1 1 27 27 ASP N N 15 118.08810 0.08099 . 1 . . . . 374 ASP N . 16541 1 91 . 1 1 28 28 SER H H 1 7.62441 0.00367 . 1 . . . . 375 SER H . 16541 1 92 . 1 1 28 28 SER C C 13 173.09954 0 . 1 . . . . 375 SER C . 16541 1 93 . 1 1 28 28 SER CA C 13 57.49448 0.00279 . 1 . . . . 375 SER CA . 16541 1 94 . 1 1 28 28 SER CB C 13 65.18318 0.00516 . 1 . . . . 375 SER CB . 16541 1 95 . 1 1 28 28 SER N N 15 111.70271 0.07646 . 1 . . . . 375 SER N . 16541 1 96 . 1 1 29 29 ASN H H 1 7.29538 0.00254 . 1 . . . . 376 ASN H . 16541 1 97 . 1 1 29 29 ASN CA C 13 50.76411 0 . 1 . . . . 376 ASN CA . 16541 1 98 . 1 1 29 29 ASN CB C 13 40.75697 0 . 1 . . . . 376 ASN CB . 16541 1 99 . 1 1 29 29 ASN N N 15 123.59298 0.05323 . 1 . . . . 376 ASN N . 16541 1 100 . 1 1 30 30 PRO C C 13 176.31931 0 . 1 . . . . 377 PRO C . 16541 1 101 . 1 1 30 30 PRO CA C 13 61.91519 0 . 1 . . . . 377 PRO CA . 16541 1 102 . 1 1 30 30 PRO CB C 13 30.72404 0 . 1 . . . . 377 PRO CB . 16541 1 103 . 1 1 31 31 ALA H H 1 8.48885 0.00554 . 1 . . . . 378 ALA H . 16541 1 104 . 1 1 31 31 ALA CA C 13 51.22411 0 . 1 . . . . 378 ALA CA . 16541 1 105 . 1 1 31 31 ALA CB C 13 18.52723 0 . 1 . . . . 378 ALA CB . 16541 1 106 . 1 1 31 31 ALA N N 15 125.91574 0.06184 . 1 . . . . 378 ALA N . 16541 1 107 . 1 1 32 32 MET C C 13 178.26812 0 . 1 . . . . 379 MET C . 16541 1 108 . 1 1 32 32 MET CA C 13 57.18199 0 . 1 . . . . 379 MET CA . 16541 1 109 . 1 1 32 32 MET CB C 13 32.02747 0 . 1 . . . . 379 MET CB . 16541 1 110 . 1 1 33 33 THR H H 1 7.48017 0.00401 . 1 . . . . 380 THR H . 16541 1 111 . 1 1 33 33 THR C C 13 175.44306 0 . 1 . . . . 380 THR C . 16541 1 112 . 1 1 33 33 THR CA C 13 61.99150 0.02244 . 1 . . . . 380 THR CA . 16541 1 113 . 1 1 33 33 THR CB C 13 68.62196 0.02674 . 1 . . . . 380 THR CB . 16541 1 114 . 1 1 33 33 THR N N 15 106.05041 0.06795 . 1 . . . . 380 THR N . 16541 1 115 . 1 1 34 34 SER H H 1 7.77071 0.00283 . 1 . . . . 381 SER H . 16541 1 116 . 1 1 34 34 SER C C 13 173.98311 0 . 1 . . . . 381 SER C . 16541 1 117 . 1 1 34 34 SER CA C 13 57.18847 0.01793 . 1 . . . . 381 SER CA . 16541 1 118 . 1 1 34 34 SER CB C 13 63.88661 0.00126 . 1 . . . . 381 SER CB . 16541 1 119 . 1 1 34 34 SER N N 15 117.71447 0.06495 . 1 . . . . 381 SER N . 16541 1 120 . 1 1 35 35 LEU H H 1 7.29566 0.00533 . 1 . . . . 382 LEU H . 16541 1 121 . 1 1 35 35 LEU C C 13 176.08941 0 . 1 . . . . 382 LEU C . 16541 1 122 . 1 1 35 35 LEU CA C 13 54.70781 0.08065 . 1 . . . . 382 LEU CA . 16541 1 123 . 1 1 35 35 LEU CB C 13 41.05131 0.04530 . 1 . . . . 382 LEU CB . 16541 1 124 . 1 1 35 35 LEU N N 15 121.43268 0.09022 . 1 . . . . 382 LEU N . 16541 1 125 . 1 1 36 36 ASP H H 1 8.49350 0.00755 . 1 . . . . 383 ASP H . 16541 1 126 . 1 1 36 36 ASP N N 15 120.74433 0.09660 . 1 . . . . 383 ASP N . 16541 1 127 . 1 1 37 37 TYR H H 1 9.23514 0.00105 . 1 . . . . 384 TYR H . 16541 1 128 . 1 1 37 37 TYR C C 13 178.23359 0 . 1 . . . . 384 TYR C . 16541 1 129 . 1 1 37 37 TYR CA C 13 59.40364 0.02688 . 1 . . . . 384 TYR CA . 16541 1 130 . 1 1 37 37 TYR CB C 13 38.36764 0.04401 . 1 . . . . 384 TYR CB . 16541 1 131 . 1 1 37 37 TYR N N 15 127.36165 0.04479 . 1 . . . . 384 TYR N . 16541 1 132 . 1 1 38 38 SER H H 1 9.00034 0.00306 . 1 . . . . 385 SER H . 16541 1 133 . 1 1 38 38 SER C C 13 175.83236 0 . 1 . . . . 385 SER C . 16541 1 134 . 1 1 38 38 SER CA C 13 62.69531 0.08230 . 1 . . . . 385 SER CA . 16541 1 135 . 1 1 38 38 SER CB C 13 63.32586 0.03065 . 1 . . . . 385 SER CB . 16541 1 136 . 1 1 38 38 SER N N 15 118.88392 0.04721 . 1 . . . . 385 SER N . 16541 1 137 . 1 1 39 39 ARG H H 1 8.88420 0.00168 . 1 . . . . 386 ARG H . 16541 1 138 . 1 1 39 39 ARG C C 13 176.41885 0 . 1 . . . . 386 ARG C . 16541 1 139 . 1 1 39 39 ARG CA C 13 54.90887 0.01671 . 1 . . . . 386 ARG CA . 16541 1 140 . 1 1 39 39 ARG CB C 13 30.64911 0 . 1 . . . . 386 ARG CB . 16541 1 141 . 1 1 39 39 ARG N N 15 120.82174 0.04646 . 1 . . . . 386 ARG N . 16541 1 142 . 1 1 40 40 PHE H H 1 7.59678 0.00258 . 1 . . . . 387 PHE H . 16541 1 143 . 1 1 40 40 PHE C C 13 175.05471 0 . 1 . . . . 387 PHE C . 16541 1 144 . 1 1 40 40 PHE CA C 13 59.34430 0.03281 . 1 . . . . 387 PHE CA . 16541 1 145 . 1 1 40 40 PHE CB C 13 39.26984 0.04632 . 1 . . . . 387 PHE CB . 16541 1 146 . 1 1 40 40 PHE N N 15 123.49571 0.05458 . 1 . . . . 387 PHE N . 16541 1 147 . 1 1 41 41 GLN H H 1 7.50726 0.00212 . 1 . . . . 388 GLN H . 16541 1 148 . 1 1 41 41 GLN C C 13 172.50487 0 . 1 . . . . 388 GLN C . 16541 1 149 . 1 1 41 41 GLN CA C 13 54.43612 0.02333 . 1 . . . . 388 GLN CA . 16541 1 150 . 1 1 41 41 GLN CB C 13 30.57617 0.02767 . 1 . . . . 388 GLN CB . 16541 1 151 . 1 1 41 41 GLN N N 15 127.78764 0.07007 . 1 . . . . 388 GLN N . 16541 1 152 . 1 1 42 42 ALA H H 1 8.00360 0.00261 . 1 . . . . 389 ALA H . 16541 1 153 . 1 1 42 42 ALA C C 13 176.80483 0 . 1 . . . . 389 ALA C . 16541 1 154 . 1 1 42 42 ALA CA C 13 52.07094 0.03841 . 1 . . . . 389 ALA CA . 16541 1 155 . 1 1 42 42 ALA CB C 13 18.52767 0.06985 . 1 . . . . 389 ALA CB . 16541 1 156 . 1 1 42 42 ALA N N 15 124.68377 0.04829 . 1 . . . . 389 ALA N . 16541 1 157 . 1 1 43 43 ASN H H 1 7.91530 0.00321 . 1 . . . . 390 ASN H . 16541 1 158 . 1 1 43 43 ASN CA C 13 50.34719 0 . 1 . . . . 390 ASN CA . 16541 1 159 . 1 1 43 43 ASN CB C 13 38.81732 0 . 1 . . . . 390 ASN CB . 16541 1 160 . 1 1 43 43 ASN N N 15 115.03411 0.07900 . 1 . . . . 390 ASN N . 16541 1 161 . 1 1 47 47 GLN H H 1 8.03234 0.02218 . 1 . . . . 394 GLN H . 16541 1 162 . 1 1 47 47 GLN CA C 13 56.05171 0.04442 . 1 . . . . 394 GLN CA . 16541 1 163 . 1 1 47 47 GLN CB C 13 28.80272 0.01135 . 1 . . . . 394 GLN CB . 16541 1 164 . 1 1 47 47 GLN N N 15 121.45606 0.12865 . 1 . . . . 394 GLN N . 16541 1 165 . 1 1 48 48 MET H H 1 8.23253 0.00377 . 1 . . . . 395 MET H . 16541 1 166 . 1 1 48 48 MET C C 13 176.30934 0 . 1 . . . . 395 MET C . 16541 1 167 . 1 1 48 48 MET CA C 13 55.40497 0.09470 . 1 . . . . 395 MET CA . 16541 1 168 . 1 1 48 48 MET N N 15 120.65186 0.06831 . 1 . . . . 395 MET N . 16541 1 169 . 1 1 49 49 SER H H 1 8.13202 0.00338 . 1 . . . . 396 SER H . 16541 1 170 . 1 1 49 49 SER CA C 13 58.14998 0 . 1 . . . . 396 SER CA . 16541 1 171 . 1 1 49 49 SER CB C 13 63.93739 0 . 1 . . . . 396 SER CB . 16541 1 172 . 1 1 49 49 SER N N 15 117.05970 0.05762 . 1 . . . . 396 SER N . 16541 1 173 . 1 1 50 50 GLY H H 1 8.37489 0.00711 . 1 . . . . 397 GLY H . 16541 1 174 . 1 1 50 50 GLY CA C 13 46.19831 0 . 1 . . . . 397 GLY CA . 16541 1 175 . 1 1 50 50 GLY N N 15 105.65121 0.05951 . 1 . . . . 397 GLY N . 16541 1 176 . 1 1 51 51 ASP C C 13 176.82731 0 . 1 . . . . 398 ASP C . 16541 1 177 . 1 1 51 51 ASP CA C 13 53.29599 0 . 1 . . . . 398 ASP CA . 16541 1 178 . 1 1 51 51 ASP CB C 13 41.35251 0 . 1 . . . . 398 ASP CB . 16541 1 179 . 1 1 52 52 ASP H H 1 8.69129 0.00236 . 1 . . . . 399 ASP H . 16541 1 180 . 1 1 52 52 ASP C C 13 177.98487 0 . 1 . . . . 399 ASP C . 16541 1 181 . 1 1 52 52 ASP CA C 13 56.74474 0.01979 . 1 . . . . 399 ASP CA . 16541 1 182 . 1 1 52 52 ASP CB C 13 40.72240 0.01928 . 1 . . . . 399 ASP CB . 16541 1 183 . 1 1 52 52 ASP N N 15 121.95002 0.08003 . 1 . . . . 399 ASP N . 16541 1 184 . 1 1 53 53 THR H H 1 8.36669 0.00264 . 1 . . . . 400 THR H . 16541 1 185 . 1 1 53 53 THR CA C 13 66.51124 0 . 1 . . . . 400 THR CA . 16541 1 186 . 1 1 53 53 THR CB C 13 68.12298 0.08010 . 1 . . . . 400 THR CB . 16541 1 187 . 1 1 53 53 THR N N 15 114.11628 0.09512 . 1 . . . . 400 THR N . 16541 1 188 . 1 1 54 54 GLN H H 1 8.10439 0.00126 . 1 . . . . 401 GLN H . 16541 1 189 . 1 1 54 54 GLN C C 13 178.64958 0 . 1 . . . . 401 GLN C . 16541 1 190 . 1 1 54 54 GLN CA C 13 58.42616 0.00493 . 1 . . . . 401 GLN CA . 16541 1 191 . 1 1 54 54 GLN CB C 13 27.77138 0 . 1 . . . . 401 GLN CB . 16541 1 192 . 1 1 54 54 GLN N N 15 120.69145 0.07375 . 1 . . . . 401 GLN N . 16541 1 193 . 1 1 55 55 HIS H H 1 7.51737 0.00409 . 1 . . . . 402 HIS H . 16541 1 194 . 1 1 55 55 HIS C C 13 178.69240 0 . 1 . . . . 402 HIS C . 16541 1 195 . 1 1 55 55 HIS CA C 13 59.34508 0.00483 . 1 . . . . 402 HIS CA . 16541 1 196 . 1 1 55 55 HIS CB C 13 30.60110 0.05056 . 1 . . . . 402 HIS CB . 16541 1 197 . 1 1 55 55 HIS N N 15 119.65819 0.03083 . 1 . . . . 402 HIS N . 16541 1 198 . 1 1 56 56 ILE H H 1 8.10657 0.00319 . 1 . . . . 403 ILE H . 16541 1 199 . 1 1 56 56 ILE C C 13 176.96053 0 . 1 . . . . 403 ILE C . 16541 1 200 . 1 1 56 56 ILE CA C 13 64.64893 0.04732 . 1 . . . . 403 ILE CA . 16541 1 201 . 1 1 56 56 ILE CB C 13 37.56805 0 . 1 . . . . 403 ILE CB . 16541 1 202 . 1 1 56 56 ILE N N 15 122.84051 0.05322 . 1 . . . . 403 ILE N . 16541 1 203 . 1 1 57 57 GLN H H 1 8.22094 0.00211 . 1 . . . . 404 GLN H . 16541 1 204 . 1 1 57 57 GLN C C 13 177.69688 0 . 1 . . . . 404 GLN C . 16541 1 205 . 1 1 57 57 GLN CA C 13 58.45974 0.00634 . 1 . . . . 404 GLN CA . 16541 1 206 . 1 1 57 57 GLN CB C 13 28.06973 0.06837 . 1 . . . . 404 GLN CB . 16541 1 207 . 1 1 57 57 GLN N N 15 118.89563 0.08241 . 1 . . . . 404 GLN N . 16541 1 208 . 1 1 58 58 GLN H H 1 7.90360 0.00200 . 1 . . . . 405 GLN H . 16541 1 209 . 1 1 58 58 GLN CA C 13 58.70393 0.00620 . 1 . . . . 405 GLN CA . 16541 1 210 . 1 1 58 58 GLN CB C 13 29.13646 0 . 1 . . . . 405 GLN CB . 16541 1 211 . 1 1 58 58 GLN N N 15 117.27521 0.07129 . 1 . . . . 405 GLN N . 16541 1 212 . 1 1 59 59 PHE H H 1 7.35945 0.00235 . 1 . . . . 406 PHE H . 16541 1 213 . 1 1 59 59 PHE CA C 13 60.02457 0.05207 . 1 . . . . 406 PHE CA . 16541 1 214 . 1 1 59 59 PHE N N 15 120.92418 0.06520 . 1 . . . . 406 PHE N . 16541 1 215 . 1 1 60 60 TYR H H 1 8.05820 0.00170 . 1 . . . . 407 TYR H . 16541 1 216 . 1 1 60 60 TYR C C 13 178.61501 0 . 1 . . . . 407 TYR C . 16541 1 217 . 1 1 60 60 TYR CA C 13 58.20678 0.02538 . 1 . . . . 407 TYR CA . 16541 1 218 . 1 1 60 60 TYR CB C 13 35.74857 0 . 1 . . . . 407 TYR CB . 16541 1 219 . 1 1 60 60 TYR N N 15 118.13869 0.07443 . 1 . . . . 407 TYR N . 16541 1 220 . 1 1 61 61 ASP H H 1 8.99169 0.00130 . 1 . . . . 408 ASP H . 16541 1 221 . 1 1 61 61 ASP C C 13 180.44327 0 . 1 . . . . 408 ASP C . 16541 1 222 . 1 1 61 61 ASP CA C 13 56.80662 0.00880 . 1 . . . . 408 ASP CA . 16541 1 223 . 1 1 61 61 ASP CB C 13 39.66023 0.05085 . 1 . . . . 408 ASP CB . 16541 1 224 . 1 1 61 61 ASP N N 15 120.36801 0.05539 . 1 . . . . 408 ASP N . 16541 1 225 . 1 1 62 62 LEU H H 1 8.14694 0.00303 . 1 . . . . 409 LEU H . 16541 1 226 . 1 1 62 62 LEU C C 13 179.79189 0 . 1 . . . . 409 LEU C . 16541 1 227 . 1 1 62 62 LEU CA C 13 57.77575 0.00151 . 1 . . . . 409 LEU CA . 16541 1 228 . 1 1 62 62 LEU CB C 13 40.93435 0 . 1 . . . . 409 LEU CB . 16541 1 229 . 1 1 62 62 LEU N N 15 123.93452 0.05784 . 1 . . . . 409 LEU N . 16541 1 230 . 1 1 63 63 LEU H H 1 7.62382 0.00256 . 1 . . . . 410 LEU H . 16541 1 231 . 1 1 63 63 LEU C C 13 179.62512 0 . 1 . . . . 410 LEU C . 16541 1 232 . 1 1 63 63 LEU CA C 13 58.37583 0.04179 . 1 . . . . 410 LEU CA . 16541 1 233 . 1 1 63 63 LEU CB C 13 41.87626 0 . 1 . . . . 410 LEU CB . 16541 1 234 . 1 1 63 63 LEU N N 15 120.48898 0.10396 . 1 . . . . 410 LEU N . 16541 1 235 . 1 1 64 64 THR H H 1 9.04710 0.00151 . 1 . . . . 411 THR H . 16541 1 236 . 1 1 64 64 THR C C 13 178.95757 0 . 1 . . . . 411 THR C . 16541 1 237 . 1 1 64 64 THR CA C 13 65.89337 0.00567 . 1 . . . . 411 THR CA . 16541 1 238 . 1 1 64 64 THR CB C 13 67.82675 0.00198 . 1 . . . . 411 THR CB . 16541 1 239 . 1 1 64 64 THR N N 15 112.57954 0.05920 . 1 . . . . 411 THR N . 16541 1 240 . 1 1 65 65 GLY H H 1 8.58828 0.00207 . 1 . . . . 412 GLY H . 16541 1 241 . 1 1 65 65 GLY C C 13 176.10856 0 . 1 . . . . 412 GLY C . 16541 1 242 . 1 1 65 65 GLY CA C 13 46.18015 0.00228 . 1 . . . . 412 GLY CA . 16541 1 243 . 1 1 65 65 GLY N N 15 111.02644 0.07567 . 1 . . . . 412 GLY N . 16541 1 244 . 1 1 66 66 SER H H 1 7.77602 0.00142 . 1 . . . . 413 SER H . 16541 1 245 . 1 1 66 66 SER C C 13 175.58702 0 . 1 . . . . 413 SER C . 16541 1 246 . 1 1 66 66 SER CA C 13 61.54702 0.04184 . 1 . . . . 413 SER CA . 16541 1 247 . 1 1 66 66 SER CB C 13 63.60947 0.06098 . 1 . . . . 413 SER CB . 16541 1 248 . 1 1 66 66 SER N N 15 115.49527 0.05638 . 1 . . . . 413 SER N . 16541 1 249 . 1 1 67 67 MET H H 1 8.03948 0.00578 . 1 . . . . 414 MET H . 16541 1 250 . 1 1 67 67 MET CA C 13 60.57890 0 . 1 . . . . 414 MET CA . 16541 1 251 . 1 1 67 67 MET CB C 13 32.28711 0 . 1 . . . . 414 MET CB . 16541 1 252 . 1 1 67 67 MET N N 15 123.20467 0.06251 . 1 . . . . 414 MET N . 16541 1 253 . 1 1 69 69 ILE C C 13 177.61741 0 . 1 . . . . 416 ILE C . 16541 1 254 . 1 1 70 70 ILE H H 1 8.11246 0.00421 . 1 . . . . 417 ILE H . 16541 1 255 . 1 1 70 70 ILE C C 13 178.10238 0 . 1 . . . . 417 ILE C . 16541 1 256 . 1 1 70 70 ILE CA C 13 65.76692 0.02584 . 1 . . . . 417 ILE CA . 16541 1 257 . 1 1 70 70 ILE CB C 13 37.04533 0.04764 . 1 . . . . 417 ILE CB . 16541 1 258 . 1 1 70 70 ILE N N 15 125.00932 0.05592 . 1 . . . . 417 ILE N . 16541 1 259 . 1 1 71 71 ARG H H 1 8.74319 0.00232 . 1 . . . . 418 ARG H . 16541 1 260 . 1 1 71 71 ARG CA C 13 58.93882 0.01368 . 1 . . . . 418 ARG CA . 16541 1 261 . 1 1 71 71 ARG CB C 13 28.19028 0.02088 . 1 . . . . 418 ARG CB . 16541 1 262 . 1 1 71 71 ARG N N 15 124.03708 0.05289 . 1 . . . . 418 ARG N . 16541 1 263 . 1 1 72 72 GLY H H 1 7.70645 0.00450 . 1 . . . . 419 GLY H . 16541 1 264 . 1 1 72 72 GLY C C 13 176.52007 0 . 1 . . . . 419 GLY C . 16541 1 265 . 1 1 72 72 GLY CA C 13 46.52703 0.02136 . 1 . . . . 419 GLY CA . 16541 1 266 . 1 1 72 72 GLY N N 15 105.40746 0.06607 . 1 . . . . 419 GLY N . 16541 1 267 . 1 1 73 73 TRP H H 1 7.48601 0.01812 . 1 . . . . 420 TRP H . 16541 1 268 . 1 1 73 73 TRP CA C 13 61.11339 0 . 1 . . . . 420 TRP CA . 16541 1 269 . 1 1 73 73 TRP CB C 13 26.79619 0 . 1 . . . . 420 TRP CB . 16541 1 270 . 1 1 73 73 TRP N N 15 122.54378 0.04679 . 1 . . . . 420 TRP N . 16541 1 271 . 1 1 74 74 ALA C C 13 178.33765 0 . 1 . . . . 421 ALA C . 16541 1 272 . 1 1 74 74 ALA CA C 13 53.84364 0 . 1 . . . . 421 ALA CA . 16541 1 273 . 1 1 74 74 ALA CB C 13 17.37970 0 . 1 . . . . 421 ALA CB . 16541 1 274 . 1 1 75 75 GLU H H 1 7.46820 0.00224 . 1 . . . . 422 GLU H . 16541 1 275 . 1 1 75 75 GLU C C 13 178.12872 0 . 1 . . . . 422 GLU C . 16541 1 276 . 1 1 75 75 GLU CA C 13 57.63882 0.01334 . 1 . . . . 422 GLU CA . 16541 1 277 . 1 1 75 75 GLU CB C 13 28.94511 0.00631 . 1 . . . . 422 GLU CB . 16541 1 278 . 1 1 75 75 GLU N N 15 110.59821 0.04704 . 1 . . . . 422 GLU N . 16541 1 279 . 1 1 76 76 LYS H H 1 7.41178 0.00393 . 1 . . . . 423 LYS H . 16541 1 280 . 1 1 76 76 LYS C C 13 176.84991 0 . 1 . . . . 423 LYS C . 16541 1 281 . 1 1 76 76 LYS CA C 13 55.53571 0.02571 . 1 . . . . 423 LYS CA . 16541 1 282 . 1 1 76 76 LYS CB C 13 32.51518 0.01054 . 1 . . . . 423 LYS CB . 16541 1 283 . 1 1 76 76 LYS N N 15 119.48347 0.07115 . 1 . . . . 423 LYS N . 16541 1 284 . 1 1 77 77 ILE H H 1 7.31442 0.00306 . 1 . . . . 424 ILE H . 16541 1 285 . 1 1 77 77 ILE CA C 13 58.34807 0 . 1 . . . . 424 ILE CA . 16541 1 286 . 1 1 77 77 ILE CB C 13 36.08934 0 . 1 . . . . 424 ILE CB . 16541 1 287 . 1 1 77 77 ILE N N 15 124.63344 0.06303 . 1 . . . . 424 ILE N . 16541 1 288 . 1 1 78 78 PRO C C 13 175.73057 0 . 1 . . . . 425 PRO C . 16541 1 289 . 1 1 78 78 PRO CA C 13 64.26147 0 . 1 . . . . 425 PRO CA . 16541 1 290 . 1 1 78 78 PRO CB C 13 30.88685 0 . 1 . . . . 425 PRO CB . 16541 1 291 . 1 1 79 79 GLY H H 1 8.47867 0.00333 . 1 . . . . 426 GLY H . 16541 1 292 . 1 1 79 79 GLY C C 13 176.64048 0 . 1 . . . . 426 GLY C . 16541 1 293 . 1 1 79 79 GLY CA C 13 44.97795 0.00234 . 1 . . . . 426 GLY CA . 16541 1 294 . 1 1 79 79 GLY N N 15 111.90544 0.09846 . 1 . . . . 426 GLY N . 16541 1 295 . 1 1 80 80 PHE H H 1 8.16910 0.01600 . 1 . . . . 427 PHE H . 16541 1 296 . 1 1 80 80 PHE C C 13 176.64871 0 . 1 . . . . 427 PHE C . 16541 1 297 . 1 1 80 80 PHE CA C 13 61.80627 0.00423 . 1 . . . . 427 PHE CA . 16541 1 298 . 1 1 80 80 PHE CB C 13 40.14274 0.02482 . 1 . . . . 427 PHE CB . 16541 1 299 . 1 1 80 80 PHE N N 15 125.33395 0.11761 . 1 . . . . 427 PHE N . 16541 1 300 . 1 1 81 81 ALA H H 1 8.44963 0.00347 . 1 . . . . 428 ALA H . 16541 1 301 . 1 1 81 81 ALA C C 13 177.11777 0 . 1 . . . . 428 ALA C . 16541 1 302 . 1 1 81 81 ALA CA C 13 52.68454 0.01619 . 1 . . . . 428 ALA CA . 16541 1 303 . 1 1 81 81 ALA CB C 13 17.83935 0.00442 . 1 . . . . 428 ALA CB . 16541 1 304 . 1 1 81 81 ALA N N 15 116.31441 0.04846 . 1 . . . . 428 ALA N . 16541 1 305 . 1 1 82 82 ASP H H 1 6.86561 0.00605 . 1 . . . . 429 ASP H . 16541 1 306 . 1 1 82 82 ASP CA C 13 53.78046 0.03712 . 1 . . . . 429 ASP CA . 16541 1 307 . 1 1 82 82 ASP CB C 13 41.49588 0 . 1 . . . . 429 ASP CB . 16541 1 308 . 1 1 82 82 ASP N N 15 114.50779 0.06883 . 1 . . . . 429 ASP N . 16541 1 309 . 1 1 83 83 LEU H H 1 7.97747 0.00328 . 1 . . . . 430 LEU H . 16541 1 310 . 1 1 83 83 LEU CA C 13 57.98563 0.00700 . 1 . . . . 430 LEU CA . 16541 1 311 . 1 1 83 83 LEU N N 15 121.66678 0.07111 . 1 . . . . 430 LEU N . 16541 1 312 . 1 1 84 84 PRO C C 13 178.08695 0 . 1 . . . . 431 PRO C . 16541 1 313 . 1 1 85 85 LYS H H 1 8.88129 0.00532 . 1 . . . . 432 LYS H . 16541 1 314 . 1 1 85 85 LYS C C 13 177.59786 0 . 1 . . . . 432 LYS C . 16541 1 315 . 1 1 85 85 LYS CA C 13 59.28478 0.01787 . 1 . . . . 432 LYS CA . 16541 1 316 . 1 1 85 85 LYS CB C 13 30.88503 0.03137 . 1 . . . . 432 LYS CB . 16541 1 317 . 1 1 85 85 LYS N N 15 128.46765 0.05233 . 1 . . . . 432 LYS N . 16541 1 318 . 1 1 86 86 ALA H H 1 8.70016 0.00162 . 1 . . . . 433 ALA H . 16541 1 319 . 1 1 86 86 ALA C C 13 180.60258 0 . 1 . . . . 433 ALA C . 16541 1 320 . 1 1 86 86 ALA CA C 13 54.62540 0.01424 . 1 . . . . 433 ALA CA . 16541 1 321 . 1 1 86 86 ALA CB C 13 18.15336 0.02921 . 1 . . . . 433 ALA CB . 16541 1 322 . 1 1 86 86 ALA N N 15 117.58616 0.08632 . 1 . . . . 433 ALA N . 16541 1 323 . 1 1 87 87 ASP H H 1 6.94822 0.00139 . 1 . . . . 434 ASP H . 16541 1 324 . 1 1 87 87 ASP C C 13 177.94959 0 . 1 . . . . 434 ASP C . 16541 1 325 . 1 1 87 87 ASP CA C 13 56.74360 0.04683 . 1 . . . . 434 ASP CA . 16541 1 326 . 1 1 87 87 ASP CB C 13 39.83765 0.04704 . 1 . . . . 434 ASP CB . 16541 1 327 . 1 1 87 87 ASP N N 15 118.48545 0.07040 . 1 . . . . 434 ASP N . 16541 1 328 . 1 1 88 88 GLN H H 1 7.86520 0.00221 . 1 . . . . 435 GLN H . 16541 1 329 . 1 1 88 88 GLN C C 13 178.66160 0 . 1 . . . . 435 GLN C . 16541 1 330 . 1 1 88 88 GLN CA C 13 59.00233 0.02229 . 1 . . . . 435 GLN CA . 16541 1 331 . 1 1 88 88 GLN CB C 13 28.48313 0.01587 . 1 . . . . 435 GLN CB . 16541 1 332 . 1 1 88 88 GLN N N 15 120.36300 0.06871 . 1 . . . . 435 GLN N . 16541 1 333 . 1 1 89 89 ASP H H 1 8.11891 0.00411 . 1 . . . . 436 ASP H . 16541 1 334 . 1 1 89 89 ASP C C 13 177.57353 0 . 1 . . . . 436 ASP C . 16541 1 335 . 1 1 89 89 ASP CA C 13 57.46634 0.01156 . 1 . . . . 436 ASP CA . 16541 1 336 . 1 1 89 89 ASP CB C 13 39.61679 0.01425 . 1 . . . . 436 ASP CB . 16541 1 337 . 1 1 89 89 ASP N N 15 117.64290 0.05376 . 1 . . . . 436 ASP N . 16541 1 338 . 1 1 90 90 LEU H H 1 7.83913 0.00522 . 1 . . . . 437 LEU H . 16541 1 339 . 1 1 90 90 LEU C C 13 181.45637 0 . 1 . . . . 437 LEU C . 16541 1 340 . 1 1 90 90 LEU CA C 13 58.13776 0.03820 . 1 . . . . 437 LEU CA . 16541 1 341 . 1 1 90 90 LEU CB C 13 41.98144 0.04069 . 1 . . . . 437 LEU CB . 16541 1 342 . 1 1 90 90 LEU N N 15 121.38238 0.06813 . 1 . . . . 437 LEU N . 16541 1 343 . 1 1 91 91 LEU H H 1 9.11482 0.00242 . 1 . . . . 438 LEU H . 16541 1 344 . 1 1 91 91 LEU C C 13 180.46752 0 . 1 . . . . 438 LEU C . 16541 1 345 . 1 1 91 91 LEU CA C 13 57.63605 0.03621 . 1 . . . . 438 LEU CA . 16541 1 346 . 1 1 91 91 LEU CB C 13 40.73636 0.02862 . 1 . . . . 438 LEU CB . 16541 1 347 . 1 1 91 91 LEU N N 15 121.09426 0.04102 . 1 . . . . 438 LEU N . 16541 1 348 . 1 1 92 92 PHE H H 1 8.77686 0.00226 . 1 . . . . 439 PHE H . 16541 1 349 . 1 1 92 92 PHE C C 13 176.52856 0 . 1 . . . . 439 PHE C . 16541 1 350 . 1 1 92 92 PHE CA C 13 62.44730 0.07121 . 1 . . . . 439 PHE CA . 16541 1 351 . 1 1 92 92 PHE CB C 13 39.43635 0 . 1 . . . . 439 PHE CB . 16541 1 352 . 1 1 92 92 PHE N N 15 120.47113 0.05111 . 1 . . . . 439 PHE N . 16541 1 353 . 1 1 93 93 GLU H H 1 9.15086 0.00203 . 1 . . . . 440 GLU H . 16541 1 354 . 1 1 93 93 GLU C C 13 179.68366 0 . 1 . . . . 440 GLU C . 16541 1 355 . 1 1 93 93 GLU CA C 13 59.64871 0.00546 . 1 . . . . 440 GLU CA . 16541 1 356 . 1 1 93 93 GLU CB C 13 28.49153 0.05578 . 1 . . . . 440 GLU CB . 16541 1 357 . 1 1 93 93 GLU N N 15 117.85253 0.04044 . 1 . . . . 440 GLU N . 16541 1 358 . 1 1 94 94 SER H H 1 8.06406 0.00132 . 1 . . . . 441 SER H . 16541 1 359 . 1 1 94 94 SER C C 13 174.44414 0 . 1 . . . . 441 SER C . 16541 1 360 . 1 1 94 94 SER CA C 13 61.48787 0.01873 . 1 . . . . 441 SER CA . 16541 1 361 . 1 1 94 94 SER CB C 13 63.27233 0.00396 . 1 . . . . 441 SER CB . 16541 1 362 . 1 1 94 94 SER N N 15 111.03597 0.03905 . 1 . . . . 441 SER N . 16541 1 363 . 1 1 95 95 ALA H H 1 7.25785 0.00316 . 1 . . . . 442 ALA H . 16541 1 364 . 1 1 95 95 ALA C C 13 177.19522 0 . 1 . . . . 442 ALA C . 16541 1 365 . 1 1 95 95 ALA CA C 13 51.23902 0.03597 . 1 . . . . 442 ALA CA . 16541 1 366 . 1 1 95 95 ALA CB C 13 20.34089 0.01389 . 1 . . . . 442 ALA CB . 16541 1 367 . 1 1 95 95 ALA N N 15 119.65806 0.07742 . 1 . . . . 442 ALA N . 16541 1 368 . 1 1 96 96 PHE H H 1 7.57817 0.00328 . 1 . . . . 443 PHE H . 16541 1 369 . 1 1 96 96 PHE C C 13 175.16826 0 . 1 . . . . 443 PHE C . 16541 1 370 . 1 1 96 96 PHE CA C 13 62.52029 0.01026 . 1 . . . . 443 PHE CA . 16541 1 371 . 1 1 96 96 PHE CB C 13 37.98992 0.02206 . 1 . . . . 443 PHE CB . 16541 1 372 . 1 1 96 96 PHE N N 15 121.14047 0.06294 . 1 . . . . 443 PHE N . 16541 1 373 . 1 1 97 97 LEU H H 1 8.69395 0.00400 . 1 . . . . 444 LEU H . 16541 1 374 . 1 1 97 97 LEU CA C 13 57.83151 0.02034 . 1 . . . . 444 LEU CA . 16541 1 375 . 1 1 97 97 LEU CB C 13 41.09135 0.05483 . 1 . . . . 444 LEU CB . 16541 1 376 . 1 1 97 97 LEU N N 15 119.45944 0.08657 . 1 . . . . 444 LEU N . 16541 1 377 . 1 1 98 98 GLU H H 1 7.92853 0.00125 . 1 . . . . 445 GLU H . 16541 1 378 . 1 1 98 98 GLU N N 15 118.84842 0.09001 . 1 . . . . 445 GLU N . 16541 1 379 . 1 1 100 100 PHE H H 1 8.66832 0.01565 . 1 . . . . 447 PHE H . 16541 1 380 . 1 1 100 100 PHE C C 13 176.83950 0 . 1 . . . . 447 PHE C . 16541 1 381 . 1 1 100 100 PHE CA C 13 61.35579 0 . 1 . . . . 447 PHE CA . 16541 1 382 . 1 1 100 100 PHE CB C 13 41.47932 0 . 1 . . . . 447 PHE CB . 16541 1 383 . 1 1 100 100 PHE N N 15 121.58657 0.16394 . 1 . . . . 447 PHE N . 16541 1 384 . 1 1 101 101 VAL H H 1 8.44069 0.00343 . 1 . . . . 448 VAL H . 16541 1 385 . 1 1 101 101 VAL C C 13 177.15128 0 . 1 . . . . 448 VAL C . 16541 1 386 . 1 1 101 101 VAL CA C 13 66.36844 0.03052 . 1 . . . . 448 VAL CA . 16541 1 387 . 1 1 101 101 VAL CB C 13 31.01121 0 . 1 . . . . 448 VAL CB . 16541 1 388 . 1 1 101 101 VAL N N 15 118.38369 0.04192 . 1 . . . . 448 VAL N . 16541 1 389 . 1 1 102 102 LEU H H 1 8.87353 0.00218 . 1 . . . . 449 LEU H . 16541 1 390 . 1 1 102 102 LEU C C 13 178.82424 0 . 1 . . . . 449 LEU C . 16541 1 391 . 1 1 102 102 LEU CA C 13 58.52952 0.03663 . 1 . . . . 449 LEU CA . 16541 1 392 . 1 1 102 102 LEU CB C 13 41.32965 0.00859 . 1 . . . . 449 LEU CB . 16541 1 393 . 1 1 102 102 LEU N N 15 121.93366 0.08093 . 1 . . . . 449 LEU N . 16541 1 394 . 1 1 103 103 ARG H H 1 8.39608 0.00326 . 1 . . . . 450 ARG H . 16541 1 395 . 1 1 103 103 ARG C C 13 179.48366 0 . 1 . . . . 450 ARG C . 16541 1 396 . 1 1 103 103 ARG CA C 13 59.24329 0.00827 . 1 . . . . 450 ARG CA . 16541 1 397 . 1 1 103 103 ARG CB C 13 30.00311 0.07875 . 1 . . . . 450 ARG CB . 16541 1 398 . 1 1 103 103 ARG N N 15 116.18388 0.07823 . 1 . . . . 450 ARG N . 16541 1 399 . 1 1 104 104 LEU H H 1 7.57650 0.00166 . 1 . . . . 451 LEU H . 16541 1 400 . 1 1 104 104 LEU C C 13 180.04925 0 . 1 . . . . 451 LEU C . 16541 1 401 . 1 1 104 104 LEU CA C 13 57.66996 0.00376 . 1 . . . . 451 LEU CA . 16541 1 402 . 1 1 104 104 LEU CB C 13 41.84236 0 . 1 . . . . 451 LEU CB . 16541 1 403 . 1 1 104 104 LEU N N 15 121.44656 0.04043 . 1 . . . . 451 LEU N . 16541 1 404 . 1 1 105 105 ALA H H 1 9.10002 0.00297 . 1 . . . . 452 ALA H . 16541 1 405 . 1 1 105 105 ALA C C 13 179.11733 0 . 1 . . . . 452 ALA C . 16541 1 406 . 1 1 105 105 ALA CA C 13 54.36046 0.02353 . 1 . . . . 452 ALA CA . 16541 1 407 . 1 1 105 105 ALA CB C 13 18.50131 0.03886 . 1 . . . . 452 ALA CB . 16541 1 408 . 1 1 105 105 ALA N N 15 122.26504 0.06661 . 1 . . . . 452 ALA N . 16541 1 409 . 1 1 106 106 TYR H H 1 8.02732 0.00818 . 1 . . . . 453 TYR H . 16541 1 410 . 1 1 106 106 TYR C C 13 175.47304 0 . 1 . . . . 453 TYR C . 16541 1 411 . 1 1 106 106 TYR CA C 13 60.07105 0.00102 . 1 . . . . 453 TYR CA . 16541 1 412 . 1 1 106 106 TYR CB C 13 39.38680 0.05652 . 1 . . . . 453 TYR CB . 16541 1 413 . 1 1 106 106 TYR N N 15 117.72185 0.11793 . 1 . . . . 453 TYR N . 16541 1 414 . 1 1 107 107 ARG H H 1 7.12100 0.00145 . 1 . . . . 454 ARG H . 16541 1 415 . 1 1 107 107 ARG C C 13 176.79411 0 . 1 . . . . 454 ARG C . 16541 1 416 . 1 1 107 107 ARG CA C 13 56.01708 0.00654 . 1 . . . . 454 ARG CA . 16541 1 417 . 1 1 107 107 ARG CB C 13 32.27707 0.07961 . 1 . . . . 454 ARG CB . 16541 1 418 . 1 1 107 107 ARG N N 15 114.18645 0.05040 . 1 . . . . 454 ARG N . 16541 1 419 . 1 1 108 108 SER H H 1 6.78402 0.00367 . 1 . . . . 455 SER H . 16541 1 420 . 1 1 108 108 SER C C 13 169.97110 0 . 1 . . . . 455 SER C . 16541 1 421 . 1 1 108 108 SER CA C 13 60.86125 0.05026 . 1 . . . . 455 SER CA . 16541 1 422 . 1 1 108 108 SER CB C 13 62.84896 0.00619 . 1 . . . . 455 SER CB . 16541 1 423 . 1 1 108 108 SER N N 15 114.18354 0.04898 . 1 . . . . 455 SER N . 16541 1 424 . 1 1 109 109 ASN H H 1 8.37277 0.00291 . 1 . . . . 456 ASN H . 16541 1 425 . 1 1 109 109 ASN CA C 13 49.17445 0 . 1 . . . . 456 ASN CA . 16541 1 426 . 1 1 109 109 ASN CB C 13 38.74253 0 . 1 . . . . 456 ASN CB . 16541 1 427 . 1 1 109 109 ASN N N 15 115.86668 0.07272 . 1 . . . . 456 ASN N . 16541 1 428 . 1 1 110 110 PRO C C 13 178.01077 0 . 1 . . . . 457 PRO C . 16541 1 429 . 1 1 110 110 PRO CA C 13 64.51499 0 . 1 . . . . 457 PRO CA . 16541 1 430 . 1 1 110 110 PRO CB C 13 32.07966 0 . 1 . . . . 457 PRO CB . 16541 1 431 . 1 1 111 111 VAL H H 1 7.73799 0.00191 . 1 . . . . 458 VAL H . 16541 1 432 . 1 1 111 111 VAL C C 13 177.88589 0 . 1 . . . . 458 VAL C . 16541 1 433 . 1 1 111 111 VAL CA C 13 65.44780 0.00303 . 1 . . . . 458 VAL CA . 16541 1 434 . 1 1 111 111 VAL CB C 13 30.97216 0.04228 . 1 . . . . 458 VAL CB . 16541 1 435 . 1 1 111 111 VAL N N 15 120.98111 0.05998 . 1 . . . . 458 VAL N . 16541 1 436 . 1 1 112 112 GLU H H 1 7.01769 0.00297 . 1 . . . . 459 GLU H . 16541 1 437 . 1 1 112 112 GLU C C 13 176.43464 0 . 1 . . . . 459 GLU C . 16541 1 438 . 1 1 112 112 GLU CA C 13 55.83916 0.03556 . 1 . . . . 459 GLU CA . 16541 1 439 . 1 1 112 112 GLU CB C 13 30.57737 0.07844 . 1 . . . . 459 GLU CB . 16541 1 440 . 1 1 112 112 GLU N N 15 116.50307 0.06607 . 1 . . . . 459 GLU N . 16541 1 441 . 1 1 113 113 GLY H H 1 7.64671 0.00340 . 1 . . . . 460 GLY H . 16541 1 442 . 1 1 113 113 GLY C C 13 172.15928 0 . 1 . . . . 460 GLY C . 16541 1 443 . 1 1 113 113 GLY CA C 13 45.54957 0.00425 . 1 . . . . 460 GLY CA . 16541 1 444 . 1 1 113 113 GLY N N 15 107.53588 0.06712 . 1 . . . . 460 GLY N . 16541 1 445 . 1 1 114 114 LYS H H 1 7.34128 0.00312 . 1 . . . . 461 LYS H . 16541 1 446 . 1 1 114 114 LYS C C 13 173.39679 0 . 1 . . . . 461 LYS C . 16541 1 447 . 1 1 114 114 LYS CA C 13 55.96158 0.04088 . 1 . . . . 461 LYS CA . 16541 1 448 . 1 1 114 114 LYS CB C 13 34.21003 0.01967 . 1 . . . . 461 LYS CB . 16541 1 449 . 1 1 114 114 LYS N N 15 118.37332 0.03933 . 1 . . . . 461 LYS N . 16541 1 450 . 1 1 115 115 LEU H H 1 9.02124 0.00320 . 1 . . . . 462 LEU H . 16541 1 451 . 1 1 115 115 LEU CA C 13 52.45626 0.01583 . 1 . . . . 462 LEU CA . 16541 1 452 . 1 1 115 115 LEU CB C 13 40.59651 0 . 1 . . . . 462 LEU CB . 16541 1 453 . 1 1 115 115 LEU N N 15 129.50476 0.08635 . 1 . . . . 462 LEU N . 16541 1 454 . 1 1 116 116 ILE H H 1 7.36499 0.00420 . 1 . . . . 463 ILE H . 16541 1 455 . 1 1 116 116 ILE CA C 13 60.06359 0 . 1 . . . . 463 ILE CA . 16541 1 456 . 1 1 116 116 ILE N N 15 121.12480 0.09367 . 1 . . . . 463 ILE N . 16541 1 457 . 1 1 118 118 CYS C C 13 174.95866 0 . 1 . . . . 464 CYS C . 16541 1 458 . 1 1 118 118 CYS CB C 13 29.13592 0 . 1 . . . . 464 CYS CB . 16541 1 459 . 1 1 119 119 ASN H H 1 7.65849 0.00255 . 1 . . . . 466 ASN H . 16541 1 460 . 1 1 119 119 ASN C C 13 176.16155 0 . 1 . . . . 466 ASN C . 16541 1 461 . 1 1 119 119 ASN CA C 13 51.70841 0.01463 . 1 . . . . 466 ASN CA . 16541 1 462 . 1 1 119 119 ASN CB C 13 36.68970 0.00408 . 1 . . . . 466 ASN CB . 16541 1 463 . 1 1 119 119 ASN N N 15 111.19085 0.04890 . 1 . . . . 466 ASN N . 16541 1 464 . 1 1 120 120 GLY H H 1 8.26948 0.00359 . 1 . . . . 467 GLY H . 16541 1 465 . 1 1 120 120 GLY C C 13 172.49831 0 . 1 . . . . 467 GLY C . 16541 1 466 . 1 1 120 120 GLY CA C 13 44.61445 0.02067 . 1 . . . . 467 GLY CA . 16541 1 467 . 1 1 120 120 GLY N N 15 108.21343 0.06178 . 1 . . . . 467 GLY N . 16541 1 468 . 1 1 121 121 VAL H H 1 7.06361 0.01296 . 1 . . . . 468 VAL H . 16541 1 469 . 1 1 121 121 VAL C C 13 174.50286 0 . 1 . . . . 468 VAL C . 16541 1 470 . 1 1 121 121 VAL CA C 13 64.44525 0.00633 . 1 . . . . 468 VAL CA . 16541 1 471 . 1 1 121 121 VAL CB C 13 31.75488 0.00908 . 1 . . . . 468 VAL CB . 16541 1 472 . 1 1 121 121 VAL N N 15 121.16668 0.13010 . 1 . . . . 468 VAL N . 16541 1 473 . 1 1 122 122 VAL H H 1 7.20523 0.00317 . 1 . . . . 469 VAL H . 16541 1 474 . 1 1 122 122 VAL C C 13 176.02855 0 . 1 . . . . 469 VAL C . 16541 1 475 . 1 1 122 122 VAL CA C 13 60.19822 0.00635 . 1 . . . . 469 VAL CA . 16541 1 476 . 1 1 122 122 VAL CB C 13 32.64225 0.05810 . 1 . . . . 469 VAL CB . 16541 1 477 . 1 1 122 122 VAL N N 15 126.38657 0.04228 . 1 . . . . 469 VAL N . 16541 1 478 . 1 1 123 123 LEU H H 1 9.07951 0.00249 . 1 . . . . 470 LEU H . 16541 1 479 . 1 1 123 123 LEU C C 13 175.20617 0 . 1 . . . . 470 LEU C . 16541 1 480 . 1 1 123 123 LEU CA C 13 53.03330 0.02045 . 1 . . . . 470 LEU CA . 16541 1 481 . 1 1 123 123 LEU CB C 13 47.59149 0.00873 . 1 . . . . 470 LEU CB . 16541 1 482 . 1 1 123 123 LEU N N 15 125.33383 0.06599 . 1 . . . . 470 LEU N . 16541 1 483 . 1 1 124 124 HIS H H 1 9.69710 0.00341 . 1 . . . . 471 HIS H . 16541 1 484 . 1 1 124 124 HIS C C 13 178.54140 0 . 1 . . . . 471 HIS C . 16541 1 485 . 1 1 124 124 HIS CA C 13 57.37208 0.04720 . 1 . . . . 471 HIS CA . 16541 1 486 . 1 1 124 124 HIS CB C 13 32.39603 0.02809 . 1 . . . . 471 HIS CB . 16541 1 487 . 1 1 124 124 HIS N N 15 123.09208 0.08952 . 1 . . . . 471 HIS N . 16541 1 488 . 1 1 125 125 ARG H H 1 8.56082 0.00271 . 1 . . . . 472 ARG H . 16541 1 489 . 1 1 125 125 ARG C C 13 176.12497 0 . 1 . . . . 472 ARG C . 16541 1 490 . 1 1 125 125 ARG CA C 13 60.39079 0.02022 . 1 . . . . 472 ARG CA . 16541 1 491 . 1 1 125 125 ARG CB C 13 29.45582 0 . 1 . . . . 472 ARG CB . 16541 1 492 . 1 1 125 125 ARG N N 15 129.49428 0.07133 . 1 . . . . 472 ARG N . 16541 1 493 . 1 1 126 126 LEU H H 1 7.45943 0.01484 . 1 . . . . 473 LEU H . 16541 1 494 . 1 1 126 126 LEU CA C 13 57.54088 0 . 1 . . . . 473 LEU CA . 16541 1 495 . 1 1 126 126 LEU N N 15 123.68590 0.11821 . 1 . . . . 473 LEU N . 16541 1 496 . 1 1 128 128 CYS CB C 13 29.25675 0 . 1 . . . . 475 CYS CB . 16541 1 497 . 1 1 129 129 VAL CB C 13 30.70342 0 . 1 . . . . 476 VAL CB . 16541 1 498 . 1 1 130 130 ARG CA C 13 58.67074 0 . 1 . . . . 477 ARG CA . 16541 1 499 . 1 1 130 130 ARG CB C 13 28.68805 0 . 1 . . . . 477 ARG CB . 16541 1 500 . 1 1 139 139 ILE C C 13 177.54423 0 . 1 . . . . 486 ILE C . 16541 1 501 . 1 1 139 139 ILE CA C 13 65.89388 0 . 1 . . . . 486 ILE CA . 16541 1 502 . 1 1 139 139 ILE CB C 13 36.91678 0 . 1 . . . . 486 ILE CB . 16541 1 503 . 1 1 140 140 VAL H H 1 8.32521 0.00532 . 1 . . . . 487 VAL H . 16541 1 504 . 1 1 140 140 VAL C C 13 177.57353 0 . 1 . . . . 487 VAL C . 16541 1 505 . 1 1 140 140 VAL CA C 13 67.37361 0.06208 . 1 . . . . 487 VAL CA . 16541 1 506 . 1 1 140 140 VAL CB C 13 30.52736 0 . 1 . . . . 487 VAL CB . 16541 1 507 . 1 1 140 140 VAL N N 15 121.74896 0.05747 . 1 . . . . 487 VAL N . 16541 1 508 . 1 1 141 141 GLU H H 1 7.85745 0.01687 . 1 . . . . 488 GLU H . 16541 1 509 . 1 1 141 141 GLU CA C 13 59.29200 0.02485 . 1 . . . . 488 GLU CA . 16541 1 510 . 1 1 141 141 GLU CB C 13 29.08934 0 . 1 . . . . 488 GLU CB . 16541 1 511 . 1 1 141 141 GLU N N 15 121.33980 0.09448 . 1 . . . . 488 GLU N . 16541 1 512 . 1 1 142 142 PHE H H 1 8.00622 0.00129 . 1 . . . . 489 PHE H . 16541 1 513 . 1 1 142 142 PHE C C 13 177.53290 0 . 1 . . . . 489 PHE C . 16541 1 514 . 1 1 142 142 PHE CA C 13 61.09698 0.00685 . 1 . . . . 489 PHE CA . 16541 1 515 . 1 1 142 142 PHE CB C 13 39.40461 0.00538 . 1 . . . . 489 PHE CB . 16541 1 516 . 1 1 142 142 PHE N N 15 121.39653 0.04943 . 1 . . . . 489 PHE N . 16541 1 517 . 1 1 143 143 SER H H 1 8.72651 0.00395 . 1 . . . . 490 SER H . 16541 1 518 . 1 1 143 143 SER C C 13 176.77216 0 . 1 . . . . 490 SER C . 16541 1 519 . 1 1 143 143 SER CA C 13 61.90831 0.01702 . 1 . . . . 490 SER CA . 16541 1 520 . 1 1 143 143 SER N N 15 114.17055 0.04732 . 1 . . . . 490 SER N . 16541 1 521 . 1 1 144 144 SER H H 1 8.52420 0.00508 . 1 . . . . 491 SER H . 16541 1 522 . 1 1 144 144 SER C C 13 176.54549 0 . 1 . . . . 491 SER C . 16541 1 523 . 1 1 144 144 SER CA C 13 61.92068 0.03348 . 1 . . . . 491 SER CA . 16541 1 524 . 1 1 144 144 SER CB C 13 62.86914 0 . 1 . . . . 491 SER CB . 16541 1 525 . 1 1 144 144 SER N N 15 115.99691 0.09025 . 1 . . . . 491 SER N . 16541 1 526 . 1 1 145 145 ASN H H 1 8.00836 0.00379 . 1 . . . . 492 ASN H . 16541 1 527 . 1 1 145 145 ASN C C 13 178.08766 0 . 1 . . . . 492 ASN C . 16541 1 528 . 1 1 145 145 ASN CA C 13 55.90754 0.01104 . 1 . . . . 492 ASN CA . 16541 1 529 . 1 1 145 145 ASN CB C 13 37.89323 0.02528 . 1 . . . . 492 ASN CB . 16541 1 530 . 1 1 145 145 ASN N N 15 119.82904 0.04627 . 1 . . . . 492 ASN N . 16541 1 531 . 1 1 146 146 LEU H H 1 8.46182 0.01137 . 1 . . . . 493 LEU H . 16541 1 532 . 1 1 146 146 LEU C C 13 175.61542 0 . 1 . . . . 493 LEU C . 16541 1 533 . 1 1 146 146 LEU CA C 13 57.55065 0.02470 . 1 . . . . 493 LEU CA . 16541 1 534 . 1 1 146 146 LEU CB C 13 41.95166 0.01416 . 1 . . . . 493 LEU CB . 16541 1 535 . 1 1 146 146 LEU N N 15 121.31788 0.11456 . 1 . . . . 493 LEU N . 16541 1 536 . 1 1 147 147 GLN H H 1 8.62688 0.00449 . 1 . . . . 494 GLN H . 16541 1 537 . 1 1 147 147 GLN C C 13 179.43881 0 . 1 . . . . 494 GLN C . 16541 1 538 . 1 1 147 147 GLN CA C 13 58.82305 0.01021 . 1 . . . . 494 GLN CA . 16541 1 539 . 1 1 147 147 GLN CB C 13 26.41646 0.08691 . 1 . . . . 494 GLN CB . 16541 1 540 . 1 1 147 147 GLN N N 15 119.14634 0.03159 . 1 . . . . 494 GLN N . 16541 1 541 . 1 1 148 148 ASN H H 1 7.94270 0.00255 . 1 . . . . 495 ASN H . 16541 1 542 . 1 1 148 148 ASN C C 13 176.17391 0 . 1 . . . . 495 ASN C . 16541 1 543 . 1 1 148 148 ASN CA C 13 54.47091 0.03037 . 1 . . . . 495 ASN CA . 16541 1 544 . 1 1 148 148 ASN CB C 13 38.06363 0.02215 . 1 . . . . 495 ASN CB . 16541 1 545 . 1 1 148 148 ASN N N 15 118.30066 0.09614 . 1 . . . . 495 ASN N . 16541 1 546 . 1 1 149 149 MET H H 1 7.35854 0.00202 . 1 . . . . 496 MET H . 16541 1 547 . 1 1 149 149 MET C C 13 176.05243 0 . 1 . . . . 496 MET C . 16541 1 548 . 1 1 149 149 MET CA C 13 57.00153 0.01296 . 1 . . . . 496 MET CA . 16541 1 549 . 1 1 149 149 MET CB C 13 33.57506 0.00894 . 1 . . . . 496 MET CB . 16541 1 550 . 1 1 149 149 MET N N 15 116.68823 0.07495 . 1 . . . . 496 MET N . 16541 1 551 . 1 1 150 150 ASN H H 1 7.95274 0.00162 . 1 . . . . 497 ASN H . 16541 1 552 . 1 1 150 150 ASN C C 13 173.93141 0 . 1 . . . . 497 ASN C . 16541 1 553 . 1 1 150 150 ASN CA C 13 54.13591 0.00959 . 1 . . . . 497 ASN CA . 16541 1 554 . 1 1 150 150 ASN CB C 13 36.76179 0.02557 . 1 . . . . 497 ASN CB . 16541 1 555 . 1 1 150 150 ASN N N 15 117.69746 0.06251 . 1 . . . . 497 ASN N . 16541 1 556 . 1 1 151 151 ILE H H 1 9.28581 0.00126 . 1 . . . . 498 ILE H . 16541 1 557 . 1 1 151 151 ILE C C 13 177.46054 0 . 1 . . . . 498 ILE C . 16541 1 558 . 1 1 151 151 ILE CA C 13 61.55875 0.02333 . 1 . . . . 498 ILE CA . 16541 1 559 . 1 1 151 151 ILE CB C 13 38.49165 0.04810 . 1 . . . . 498 ILE CB . 16541 1 560 . 1 1 151 151 ILE N N 15 122.04258 0.03990 . 1 . . . . 498 ILE N . 16541 1 561 . 1 1 152 152 ASP H H 1 8.71462 0.00235 . 1 . . . . 499 ASP H . 16541 1 562 . 1 1 152 152 ASP C C 13 180.51897 0 . 1 . . . . 499 ASP C . 16541 1 563 . 1 1 152 152 ASP CA C 13 53.34745 0.01367 . 1 . . . . 499 ASP CA . 16541 1 564 . 1 1 152 152 ASP CB C 13 41.14660 0.00299 . 1 . . . . 499 ASP CB . 16541 1 565 . 1 1 152 152 ASP N N 15 131.07792 0.06741 . 1 . . . . 499 ASP N . 16541 1 566 . 1 1 153 153 ILE H H 1 8.63075 0.00476 . 1 . . . . 500 ILE H . 16541 1 567 . 1 1 153 153 ILE CA C 13 64.07001 0.00868 . 1 . . . . 500 ILE CA . 16541 1 568 . 1 1 153 153 ILE CB C 13 37.79653 0 . 1 . . . . 500 ILE CB . 16541 1 569 . 1 1 153 153 ILE N N 15 119.18281 0.06027 . 1 . . . . 500 ILE N . 16541 1 570 . 1 1 154 154 SER H H 1 7.99711 0.00630 . 1 . . . . 501 SER H . 16541 1 571 . 1 1 154 154 SER C C 13 175.26929 0 . 1 . . . . 501 SER C . 16541 1 572 . 1 1 154 154 SER CA C 13 62.23017 0.03343 . 1 . . . . 501 SER CA . 16541 1 573 . 1 1 154 154 SER CB C 13 60.87846 0.05272 . 1 . . . . 501 SER CB . 16541 1 574 . 1 1 154 154 SER N N 15 121.63114 0.15083 . 1 . . . . 501 SER N . 16541 1 575 . 1 1 155 155 ALA H H 1 8.38676 0.00556 . 1 . . . . 502 ALA H . 16541 1 576 . 1 1 155 155 ALA C C 13 180.23677 0 . 1 . . . . 502 ALA C . 16541 1 577 . 1 1 155 155 ALA CA C 13 54.73178 0.00836 . 1 . . . . 502 ALA CA . 16541 1 578 . 1 1 155 155 ALA CB C 13 17.94783 0.08583 . 1 . . . . 502 ALA CB . 16541 1 579 . 1 1 155 155 ALA N N 15 124.84863 0.04161 . 1 . . . . 502 ALA N . 16541 1 580 . 1 1 156 156 PHE H H 1 8.93328 0.00557 . 1 . . . . 503 PHE H . 16541 1 581 . 1 1 156 156 PHE C C 13 176.03844 0 . 1 . . . . 503 PHE C . 16541 1 582 . 1 1 156 156 PHE CA C 13 62.49632 0.02085 . 1 . . . . 503 PHE CA . 16541 1 583 . 1 1 156 156 PHE CB C 13 38.99670 0.02712 . 1 . . . . 503 PHE CB . 16541 1 584 . 1 1 156 156 PHE N N 15 118.99437 0.07913 . 1 . . . . 503 PHE N . 16541 1 585 . 1 1 157 157 SER H H 1 8.18729 0.00219 . 1 . . . . 504 SER H . 16541 1 586 . 1 1 157 157 SER C C 13 177.30022 0 . 1 . . . . 504 SER C . 16541 1 587 . 1 1 157 157 SER CA C 13 62.90886 0.05613 . 1 . . . . 504 SER CA . 16541 1 588 . 1 1 157 157 SER CB C 13 61.77183 0 . 1 . . . . 504 SER CB . 16541 1 589 . 1 1 157 157 SER N N 15 114.47612 0.09668 . 1 . . . . 504 SER N . 16541 1 590 . 1 1 158 158 CYS H H 1 7.10405 0.00254 . 1 . . . . 505 CYS H . 16541 1 591 . 1 1 158 158 CYS C C 13 176.04936 0 . 1 . . . . 505 CYS C . 16541 1 592 . 1 1 158 158 CYS CA C 13 62.81286 0.02629 . 1 . . . . 505 CYS CA . 16541 1 593 . 1 1 158 158 CYS CB C 13 29.05417 0.01746 . 1 . . . . 505 CYS CB . 16541 1 594 . 1 1 158 158 CYS N N 15 117.83564 0.06322 . 1 . . . . 505 CYS N . 16541 1 595 . 1 1 159 159 ILE H H 1 7.78117 0.00300 . 1 . . . . 506 ILE H . 16541 1 596 . 1 1 159 159 ILE C C 13 176.62542 0 . 1 . . . . 506 ILE C . 16541 1 597 . 1 1 159 159 ILE CA C 13 63.98407 0.01671 . 1 . . . . 506 ILE CA . 16541 1 598 . 1 1 159 159 ILE CB C 13 36.46486 0.02023 . 1 . . . . 506 ILE CB . 16541 1 599 . 1 1 159 159 ILE N N 15 119.79223 0.08745 . 1 . . . . 506 ILE N . 16541 1 600 . 1 1 160 160 ALA H H 1 8.15184 0.00340 . 1 . . . . 507 ALA H . 16541 1 601 . 1 1 160 160 ALA C C 13 178.53839 0 . 1 . . . . 507 ALA C . 16541 1 602 . 1 1 160 160 ALA CA C 13 54.55966 0.02842 . 1 . . . . 507 ALA CA . 16541 1 603 . 1 1 160 160 ALA CB C 13 16.29198 0.03789 . 1 . . . . 507 ALA CB . 16541 1 604 . 1 1 160 160 ALA N N 15 120.57293 0.07040 . 1 . . . . 507 ALA N . 16541 1 605 . 1 1 161 161 ALA H H 1 6.76547 0.00156 . 1 . . . . 508 ALA H . 16541 1 606 . 1 1 161 161 ALA C C 13 179.76274 0 . 1 . . . . 508 ALA C . 16541 1 607 . 1 1 161 161 ALA CA C 13 55.47937 0.00401 . 1 . . . . 508 ALA CA . 16541 1 608 . 1 1 161 161 ALA CB C 13 18.33341 0.00236 . 1 . . . . 508 ALA CB . 16541 1 609 . 1 1 161 161 ALA N N 15 116.31243 0.04284 . 1 . . . . 508 ALA N . 16541 1 610 . 1 1 162 162 LEU H H 1 8.15437 0.00116 . 1 . . . . 509 LEU H . 16541 1 611 . 1 1 162 162 LEU C C 13 177.54693 0 . 1 . . . . 509 LEU C . 16541 1 612 . 1 1 162 162 LEU CA C 13 56.23124 0.01882 . 1 . . . . 509 LEU CA . 16541 1 613 . 1 1 162 162 LEU CB C 13 41.27741 0.00265 . 1 . . . . 509 LEU CB . 16541 1 614 . 1 1 162 162 LEU N N 15 118.78661 0.05934 . 1 . . . . 509 LEU N . 16541 1 615 . 1 1 163 163 ALA H H 1 7.71238 0.02232 . 1 . . . . 510 ALA H . 16541 1 616 . 1 1 163 163 ALA C C 13 177.37361 0 . 1 . . . . 510 ALA C . 16541 1 617 . 1 1 163 163 ALA CA C 13 53.51238 0.02357 . 1 . . . . 510 ALA CA . 16541 1 618 . 1 1 163 163 ALA CB C 13 16.36954 0.02636 . 1 . . . . 510 ALA CB . 16541 1 619 . 1 1 163 163 ALA N N 15 121.16631 0.14355 . 1 . . . . 510 ALA N . 16541 1 620 . 1 1 164 164 MET H H 1 7.02361 0.00413 . 1 . . . . 511 MET H . 16541 1 621 . 1 1 164 164 MET C C 13 176.52561 0 . 1 . . . . 511 MET C . 16541 1 622 . 1 1 164 164 MET CA C 13 55.53829 0.01173 . 1 . . . . 511 MET CA . 16541 1 623 . 1 1 164 164 MET CB C 13 34.81999 0.04806 . 1 . . . . 511 MET CB . 16541 1 624 . 1 1 164 164 MET N N 15 112.63433 0.06026 . 1 . . . . 511 MET N . 16541 1 625 . 1 1 165 165 VAL H H 1 9.02889 0.00608 . 1 . . . . 512 VAL H . 16541 1 626 . 1 1 165 165 VAL C C 13 170.72645 0 . 1 . . . . 512 VAL C . 16541 1 627 . 1 1 165 165 VAL CA C 13 62.52049 0.03036 . 1 . . . . 512 VAL CA . 16541 1 628 . 1 1 165 165 VAL CB C 13 28.98834 6.59811E-04 . 1 . . . . 512 VAL CB . 16541 1 629 . 1 1 165 165 VAL N N 15 122.09301 0.10686 . 1 . . . . 512 VAL N . 16541 1 630 . 1 1 166 166 THR H H 1 6.96080 0.00394 . 1 . . . . 513 THR H . 16541 1 631 . 1 1 166 166 THR C C 13 171.05115 0 . 1 . . . . 513 THR C . 16541 1 632 . 1 1 166 166 THR CA C 13 58.91843 0.00200 . 1 . . . . 513 THR CA . 16541 1 633 . 1 1 166 166 THR CB C 13 69.19870 0.07253 . 1 . . . . 513 THR CB . 16541 1 634 . 1 1 166 166 THR N N 15 118.83324 0.05535 . 1 . . . . 513 THR N . 16541 1 635 . 1 1 167 167 GLU H H 1 7.89929 0.00259 . 1 . . . . 514 GLU H . 16541 1 636 . 1 1 167 167 GLU C C 13 176.40691 0 . 1 . . . . 514 GLU C . 16541 1 637 . 1 1 167 167 GLU CA C 13 58.21715 0.01400 . 1 . . . . 514 GLU CA . 16541 1 638 . 1 1 167 167 GLU CB C 13 29.15825 0.03424 . 1 . . . . 514 GLU CB . 16541 1 639 . 1 1 167 167 GLU N N 15 122.31356 0.08965 . 1 . . . . 514 GLU N . 16541 1 640 . 1 1 168 168 ARG H H 1 6.66587 0.00385 . 1 . . . . 515 ARG H . 16541 1 641 . 1 1 168 168 ARG CA C 13 52.30102 0 . 1 . . . . 515 ARG CA . 16541 1 642 . 1 1 168 168 ARG CB C 13 33.73412 0 . 1 . . . . 515 ARG CB . 16541 1 643 . 1 1 168 168 ARG N N 15 121.37382 0.08878 . 1 . . . . 515 ARG N . 16541 1 644 . 1 1 171 171 LEU CA C 13 53.91635 0 . 1 . . . . 518 LEU CA . 16541 1 645 . 1 1 174 174 PRO CA C 13 65.12017 0 . 1 . . . . 521 PRO CA . 16541 1 646 . 1 1 174 174 PRO CB C 13 30.82929 0 . 1 . . . . 521 PRO CB . 16541 1 647 . 1 1 175 175 LYS H H 1 8.66601 0.00349 . 1 . . . . 522 LYS H . 16541 1 648 . 1 1 175 175 LYS C C 13 179.51496 0 . 1 . . . . 522 LYS C . 16541 1 649 . 1 1 175 175 LYS CA C 13 58.39852 0.04985 . 1 . . . . 522 LYS CA . 16541 1 650 . 1 1 175 175 LYS CB C 13 30.75046 0.01220 . 1 . . . . 522 LYS CB . 16541 1 651 . 1 1 175 175 LYS N N 15 119.35235 0.06448 . 1 . . . . 522 LYS N . 16541 1 652 . 1 1 176 176 ARG H H 1 7.35268 0.00492 . 1 . . . . 523 ARG H . 16541 1 653 . 1 1 176 176 ARG C C 13 179.94777 0 . 1 . . . . 523 ARG C . 16541 1 654 . 1 1 176 176 ARG CA C 13 58.38258 0 . 1 . . . . 523 ARG CA . 16541 1 655 . 1 1 176 176 ARG CB C 13 29.77798 0.03810 . 1 . . . . 523 ARG CB . 16541 1 656 . 1 1 176 176 ARG N N 15 118.41526 0.05919 . 1 . . . . 523 ARG N . 16541 1 657 . 1 1 177 177 VAL H H 1 7.12435 0.01088 . 1 . . . . 524 VAL H . 16541 1 658 . 1 1 177 177 VAL C C 13 178.39576 0 . 1 . . . . 524 VAL C . 16541 1 659 . 1 1 177 177 VAL CA C 13 66.75611 0.00785 . 1 . . . . 524 VAL CA . 16541 1 660 . 1 1 177 177 VAL CB C 13 30.97902 0 . 1 . . . . 524 VAL CB . 16541 1 661 . 1 1 177 177 VAL N N 15 121.24929 0.10957 . 1 . . . . 524 VAL N . 16541 1 662 . 1 1 178 178 GLU H H 1 8.01099 0.00421 . 1 . . . . 525 GLU H . 16541 1 663 . 1 1 178 178 GLU C C 13 178.58320 0 . 1 . . . . 525 GLU C . 16541 1 664 . 1 1 178 178 GLU CA C 13 59.24577 0.06542 . 1 . . . . 525 GLU CA . 16541 1 665 . 1 1 178 178 GLU CB C 13 29.41854 0 . 1 . . . . 525 GLU CB . 16541 1 666 . 1 1 178 178 GLU N N 15 121.49354 0.05450 . 1 . . . . 525 GLU N . 16541 1 667 . 1 1 179 179 GLU H H 1 7.99964 0.00386 . 1 . . . . 526 GLU H . 16541 1 668 . 1 1 179 179 GLU C C 13 179.25820 0 . 1 . . . . 526 GLU C . 16541 1 669 . 1 1 179 179 GLU CA C 13 53.41029 0 . 1 . . . . 526 GLU CA . 16541 1 670 . 1 1 179 179 GLU CB C 13 29.15830 0.01741 . 1 . . . . 526 GLU CB . 16541 1 671 . 1 1 179 179 GLU N N 15 118.43946 0.08103 . 1 . . . . 526 GLU N . 16541 1 672 . 1 1 180 180 LEU H H 1 7.48460 0.00342 . 1 . . . . 527 LEU H . 16541 1 673 . 1 1 180 180 LEU C C 13 178.02207 0 . 1 . . . . 527 LEU C . 16541 1 674 . 1 1 180 180 LEU CA C 13 57.58599 0.01512 . 1 . . . . 527 LEU CA . 16541 1 675 . 1 1 180 180 LEU CB C 13 40.84606 0.04092 . 1 . . . . 527 LEU CB . 16541 1 676 . 1 1 180 180 LEU N N 15 122.15470 0.05186 . 1 . . . . 527 LEU N . 16541 1 677 . 1 1 181 181 GLN H H 1 8.80855 0.01755 . 1 . . . . 528 GLN H . 16541 1 678 . 1 1 181 181 GLN C C 13 177.95793 0 . 1 . . . . 528 GLN C . 16541 1 679 . 1 1 181 181 GLN CA C 13 59.47331 0.04490 . 1 . . . . 528 GLN CA . 16541 1 680 . 1 1 181 181 GLN CB C 13 28.92047 0.01021 . 1 . . . . 528 GLN CB . 16541 1 681 . 1 1 181 181 GLN N N 15 120.56961 0.08582 . 1 . . . . 528 GLN N . 16541 1 682 . 1 1 182 182 ASN H H 1 8.43964 0.00318 . 1 . . . . 529 ASN H . 16541 1 683 . 1 1 182 182 ASN C C 13 178.12205 0 . 1 . . . . 529 ASN C . 16541 1 684 . 1 1 182 182 ASN CA C 13 55.93657 0.03591 . 1 . . . . 529 ASN CA . 16541 1 685 . 1 1 182 182 ASN CB C 13 37.84750 0.01879 . 1 . . . . 529 ASN CB . 16541 1 686 . 1 1 182 182 ASN N N 15 117.06246 0.05471 . 1 . . . . 529 ASN N . 16541 1 687 . 1 1 183 183 LYS H H 1 7.96561 0.00285 . 1 . . . . 530 LYS H . 16541 1 688 . 1 1 183 183 LYS C C 13 180.00871 0 . 1 . . . . 530 LYS C . 16541 1 689 . 1 1 183 183 LYS CA C 13 59.78113 0.04762 . 1 . . . . 530 LYS CA . 16541 1 690 . 1 1 183 183 LYS CB C 13 32.20928 0.02895 . 1 . . . . 530 LYS CB . 16541 1 691 . 1 1 183 183 LYS N N 15 120.76559 0.05959 . 1 . . . . 530 LYS N . 16541 1 692 . 1 1 184 184 ILE H H 1 8.14776 0.00272 . 1 . . . . 531 ILE H . 16541 1 693 . 1 1 184 184 ILE C C 13 178.00246 0 . 1 . . . . 531 ILE C . 16541 1 694 . 1 1 184 184 ILE CA C 13 65.56629 0.00506 . 1 . . . . 531 ILE CA . 16541 1 695 . 1 1 184 184 ILE CB C 13 37.60009 0.02926 . 1 . . . . 531 ILE CB . 16541 1 696 . 1 1 184 184 ILE N N 15 121.69503 0.09030 . 1 . . . . 531 ILE N . 16541 1 697 . 1 1 185 185 VAL H H 1 8.90202 0.01259 . 1 . . . . 532 VAL H . 16541 1 698 . 1 1 185 185 VAL C C 13 178.04701 0 . 1 . . . . 532 VAL C . 16541 1 699 . 1 1 185 185 VAL CA C 13 67.16599 0.01560 . 1 . . . . 532 VAL CA . 16541 1 700 . 1 1 185 185 VAL CB C 13 30.92950 0.04913 . 1 . . . . 532 VAL CB . 16541 1 701 . 1 1 185 185 VAL N N 15 121.96205 0.09076 . 1 . . . . 532 VAL N . 16541 1 702 . 1 1 186 186 ASN H H 1 8.16250 0.00268 . 1 . . . . 533 ASN H . 16541 1 703 . 1 1 186 186 ASN C C 13 177.50101 0 . 1 . . . . 533 ASN C . 16541 1 704 . 1 1 186 186 ASN CA C 13 56.43211 0.00371 . 1 . . . . 533 ASN CA . 16541 1 705 . 1 1 186 186 ASN CB C 13 37.74082 0.02755 . 1 . . . . 533 ASN CB . 16541 1 706 . 1 1 186 186 ASN N N 15 118.17579 0.07330 . 1 . . . . 533 ASN N . 16541 1 707 . 1 1 187 187 CYS H H 1 7.94449 0.00277 . 1 . . . . 534 CYS H . 16541 1 708 . 1 1 187 187 CYS C C 13 177.20425 0 . 1 . . . . 534 CYS C . 16541 1 709 . 1 1 187 187 CYS CA C 13 62.00663 0.00992 . 1 . . . . 534 CYS CA . 16541 1 710 . 1 1 187 187 CYS CB C 13 26.39231 0.06927 . 1 . . . . 534 CYS CB . 16541 1 711 . 1 1 187 187 CYS N N 15 120.41342 0.07734 . 1 . . . . 534 CYS N . 16541 1 712 . 1 1 188 188 LEU H H 1 8.30027 0.01659 . 1 . . . . 535 LEU H . 16541 1 713 . 1 1 188 188 LEU C C 13 177.87865 0 . 1 . . . . 535 LEU C . 16541 1 714 . 1 1 188 188 LEU CA C 13 57.77785 0.00438 . 1 . . . . 535 LEU CA . 16541 1 715 . 1 1 188 188 LEU CB C 13 40.34909 0.05782 . 1 . . . . 535 LEU CB . 16541 1 716 . 1 1 188 188 LEU N N 15 124.86486 0.09325 . 1 . . . . 535 LEU N . 16541 1 717 . 1 1 189 189 LYS H H 1 8.85599 0.00386 . 1 . . . . 536 LYS H . 16541 1 718 . 1 1 189 189 LYS C C 13 179.68186 0 . 1 . . . . 536 LYS C . 16541 1 719 . 1 1 189 189 LYS CA C 13 60.17087 0.06018 . 1 . . . . 536 LYS CA . 16541 1 720 . 1 1 189 189 LYS CB C 13 31.68943 0.01439 . 1 . . . . 536 LYS CB . 16541 1 721 . 1 1 189 189 LYS N N 15 120.17915 0.07017 . 1 . . . . 536 LYS N . 16541 1 722 . 1 1 190 190 ASP H H 1 8.31955 0.01651 . 1 . . . . 537 ASP H . 16541 1 723 . 1 1 190 190 ASP C C 13 178.11937 0 . 1 . . . . 537 ASP C . 16541 1 724 . 1 1 190 190 ASP CA C 13 57.25532 0.00184 . 1 . . . . 537 ASP CA . 16541 1 725 . 1 1 190 190 ASP CB C 13 39.93208 0.00675 . 1 . . . . 537 ASP CB . 16541 1 726 . 1 1 190 190 ASP N N 15 121.35398 0.15485 . 1 . . . . 537 ASP N . 16541 1 727 . 1 1 191 191 HIS H H 1 8.17612 0.00144 . 1 . . . . 538 HIS H . 16541 1 728 . 1 1 191 191 HIS C C 13 178.11101 0 . 1 . . . . 538 HIS C . 16541 1 729 . 1 1 191 191 HIS CA C 13 60.47657 0.02698 . 1 . . . . 538 HIS CA . 16541 1 730 . 1 1 191 191 HIS CB C 13 31.18103 0.05649 . 1 . . . . 538 HIS CB . 16541 1 731 . 1 1 191 191 HIS N N 15 121.10873 0.10792 . 1 . . . . 538 HIS N . 16541 1 732 . 1 1 192 192 VAL H H 1 8.55641 0.00753 . 1 . . . . 539 VAL H . 16541 1 733 . 1 1 192 192 VAL C C 13 178.11316 0 . 1 . . . . 539 VAL C . 16541 1 734 . 1 1 192 192 VAL CA C 13 64.67667 0.00336 . 1 . . . . 539 VAL CA . 16541 1 735 . 1 1 192 192 VAL CB C 13 31.31554 0.01367 . 1 . . . . 539 VAL CB . 16541 1 736 . 1 1 192 192 VAL N N 15 115.69972 0.06224 . 1 . . . . 539 VAL N . 16541 1 737 . 1 1 193 193 THR H H 1 8.10215 0.00175 . 1 . . . . 540 THR H . 16541 1 738 . 1 1 193 193 THR C C 13 175.88946 0 . 1 . . . . 540 THR C . 16541 1 739 . 1 1 193 193 THR CA C 13 65.42097 0.05214 . 1 . . . . 540 THR CA . 16541 1 740 . 1 1 193 193 THR CB C 13 68.90128 0.00147 . 1 . . . . 540 THR CB . 16541 1 741 . 1 1 193 193 THR N N 15 115.79312 0.08348 . 1 . . . . 540 THR N . 16541 1 742 . 1 1 194 194 PHE H H 1 8.04319 0.00807 . 1 . . . . 541 PHE H . 16541 1 743 . 1 1 194 194 PHE CA C 13 59.49036 0 . 1 . . . . 541 PHE CA . 16541 1 744 . 1 1 194 194 PHE N N 15 120.59473 0.10549 . 1 . . . . 541 PHE N . 16541 1 745 . 1 1 195 195 ASN C C 13 177.17929 0 . 1 . . . . 542 ASN C . 16541 1 746 . 1 1 196 196 ASN H H 1 7.15865 0.02398 . 1 . . . . 543 ASN H . 16541 1 747 . 1 1 196 196 ASN C C 13 176.35395 0 . 1 . . . . 543 ASN C . 16541 1 748 . 1 1 196 196 ASN CA C 13 53.01710 0.05027 . 1 . . . . 543 ASN CA . 16541 1 749 . 1 1 196 196 ASN CB C 13 38.90387 0.07034 . 1 . . . . 543 ASN CB . 16541 1 750 . 1 1 196 196 ASN N N 15 121.21175 0.11659 . 1 . . . . 543 ASN N . 16541 1 751 . 1 1 197 197 GLY H H 1 8.20778 0.00215 . 1 . . . . 544 GLY H . 16541 1 752 . 1 1 197 197 GLY C C 13 175.16021 0 . 1 . . . . 544 GLY C . 16541 1 753 . 1 1 197 197 GLY CA C 13 46.04684 0.01562 . 1 . . . . 544 GLY CA . 16541 1 754 . 1 1 197 197 GLY N N 15 108.88727 0.03443 . 1 . . . . 544 GLY N . 16541 1 755 . 1 1 198 198 GLY H H 1 8.17026 0.00449 . 1 . . . . 545 GLY H . 16541 1 756 . 1 1 198 198 GLY C C 13 174.25665 0 . 1 . . . . 545 GLY C . 16541 1 757 . 1 1 198 198 GLY CA C 13 45.02004 0.01563 . 1 . . . . 545 GLY CA . 16541 1 758 . 1 1 198 198 GLY N N 15 108.06806 0.05385 . 1 . . . . 545 GLY N . 16541 1 759 . 1 1 199 199 LEU H H 1 7.59501 0.00250 . 1 . . . . 546 LEU H . 16541 1 760 . 1 1 199 199 LEU C C 13 176.83588 0 . 1 . . . . 546 LEU C . 16541 1 761 . 1 1 199 199 LEU CA C 13 54.65787 0.00657 . 1 . . . . 546 LEU CA . 16541 1 762 . 1 1 199 199 LEU CB C 13 41.75558 0 . 1 . . . . 546 LEU CB . 16541 1 763 . 1 1 199 199 LEU N N 15 121.57258 0.03653 . 1 . . . . 546 LEU N . 16541 1 764 . 1 1 200 200 ASN H H 1 8.43654 0.00401 . 1 . . . . 547 ASN H . 16541 1 765 . 1 1 200 200 ASN C C 13 174.99098 0 . 1 . . . . 547 ASN C . 16541 1 766 . 1 1 200 200 ASN CA C 13 53.21318 0.02946 . 1 . . . . 547 ASN CA . 16541 1 767 . 1 1 200 200 ASN CB C 13 38.36737 0.01085 . 1 . . . . 547 ASN CB . 16541 1 768 . 1 1 200 200 ASN N N 15 119.70984 0.05161 . 1 . . . . 547 ASN N . 16541 1 769 . 1 1 201 201 ARG H H 1 8.20521 0.00315 . 1 . . . . 548 ARG H . 16541 1 770 . 1 1 201 201 ARG CA C 13 53.47935 0 . 1 . . . . 548 ARG CA . 16541 1 771 . 1 1 201 201 ARG CB C 13 30.26669 0 . 1 . . . . 548 ARG CB . 16541 1 772 . 1 1 201 201 ARG N N 15 122.06434 0.05803 . 1 . . . . 548 ARG N . 16541 1 773 . 1 1 203 203 ASN H H 1 8.19847 0.00416 . 1 . . . . 550 ASN H . 16541 1 774 . 1 1 203 203 ASN C C 13 176.00981 0 . 1 . . . . 550 ASN C . 16541 1 775 . 1 1 203 203 ASN CA C 13 54.00748 0.05545 . 1 . . . . 550 ASN CA . 16541 1 776 . 1 1 203 203 ASN CB C 13 41.36384 0 . 1 . . . . 550 ASN CB . 16541 1 777 . 1 1 203 203 ASN N N 15 120.35480 0.05864 . 1 . . . . 550 ASN N . 16541 1 778 . 1 1 204 204 TYR H H 1 7.68511 0.00360 . 1 . . . . 551 TYR H . 16541 1 779 . 1 1 204 204 TYR C C 13 177.09706 0 . 1 . . . . 551 TYR C . 16541 1 780 . 1 1 204 204 TYR CA C 13 60.96968 0.05021 . 1 . . . . 551 TYR CA . 16541 1 781 . 1 1 204 204 TYR CB C 13 38.81834 0.02738 . 1 . . . . 551 TYR CB . 16541 1 782 . 1 1 204 204 TYR N N 15 121.77310 0.04036 . 1 . . . . 551 TYR N . 16541 1 783 . 1 1 205 205 LEU H H 1 8.58958 0.00177 . 1 . . . . 552 LEU H . 16541 1 784 . 1 1 205 205 LEU C C 13 178.29383 0 . 1 . . . . 552 LEU C . 16541 1 785 . 1 1 205 205 LEU CA C 13 58.22273 0.01235 . 1 . . . . 552 LEU CA . 16541 1 786 . 1 1 205 205 LEU CB C 13 40.67901 0.02415 . 1 . . . . 552 LEU CB . 16541 1 787 . 1 1 205 205 LEU N N 15 118.66391 0.06643 . 1 . . . . 552 LEU N . 16541 1 788 . 1 1 206 206 SER H H 1 7.96576 0.00215 . 1 . . . . 553 SER H . 16541 1 789 . 1 1 206 206 SER C C 13 178.08232 0 . 1 . . . . 553 SER C . 16541 1 790 . 1 1 206 206 SER CA C 13 61.28536 0.00523 . 1 . . . . 553 SER CA . 16541 1 791 . 1 1 206 206 SER CB C 13 62.26758 0.00914 . 1 . . . . 553 SER CB . 16541 1 792 . 1 1 206 206 SER N N 15 112.61403 0.04560 . 1 . . . . 553 SER N . 16541 1 793 . 1 1 207 207 LYS H H 1 7.88430 0.00288 . 1 . . . . 554 LYS H . 16541 1 794 . 1 1 207 207 LYS C C 13 179.30984 0 . 1 . . . . 554 LYS C . 16541 1 795 . 1 1 207 207 LYS CB C 13 31.44472 0.03013 . 1 . . . . 554 LYS CB . 16541 1 796 . 1 1 207 207 LYS N N 15 123.54752 0.05063 . 1 . . . . 554 LYS N . 16541 1 797 . 1 1 208 208 LEU H H 1 8.14934 0.00188 . 1 . . . . 555 LEU H . 16541 1 798 . 1 1 208 208 LEU C C 13 178.75207 0 . 1 . . . . 555 LEU C . 16541 1 799 . 1 1 208 208 LEU CA C 13 57.79638 0 . 1 . . . . 555 LEU CA . 16541 1 800 . 1 1 208 208 LEU CB C 13 41.50069 0 . 1 . . . . 555 LEU CB . 16541 1 801 . 1 1 208 208 LEU N N 15 120.97792 0.03289 . 1 . . . . 555 LEU N . 16541 1 802 . 1 1 209 209 LEU H H 1 8.26125 0.00402 . 1 . . . . 556 LEU H . 16541 1 803 . 1 1 209 209 LEU C C 13 181.41723 0 . 1 . . . . 556 LEU C . 16541 1 804 . 1 1 209 209 LEU CA C 13 57.17694 0.03164 . 1 . . . . 556 LEU CA . 16541 1 805 . 1 1 209 209 LEU CB C 13 39.96478 0.03737 . 1 . . . . 556 LEU CB . 16541 1 806 . 1 1 209 209 LEU N N 15 116.62994 0.06403 . 1 . . . . 556 LEU N . 16541 1 807 . 1 1 210 210 GLY H H 1 8.06740 0.00271 . 1 . . . . 557 GLY H . 16541 1 808 . 1 1 210 210 GLY C C 13 175.49194 0 . 1 . . . . 557 GLY C . 16541 1 809 . 1 1 210 210 GLY CA C 13 45.81366 0.01903 . 1 . . . . 557 GLY CA . 16541 1 810 . 1 1 210 210 GLY N N 15 108.07851 0.07888 . 1 . . . . 557 GLY N . 16541 1 811 . 1 1 211 211 LYS H H 1 7.65950 0.00497 . 1 . . . . 558 LYS H . 16541 1 812 . 1 1 211 211 LYS C C 13 178.40122 0 . 1 . . . . 558 LYS C . 16541 1 813 . 1 1 211 211 LYS CA C 13 56.01359 0.01780 . 1 . . . . 558 LYS CA . 16541 1 814 . 1 1 211 211 LYS CB C 13 30.88209 0.06624 . 1 . . . . 558 LYS CB . 16541 1 815 . 1 1 211 211 LYS N N 15 119.24223 0.06354 . 1 . . . . 558 LYS N . 16541 1 816 . 1 1 212 212 LEU H H 1 7.67167 0.00321 . 1 . . . . 559 LEU H . 16541 1 817 . 1 1 212 212 LEU CA C 13 59.14769 0 . 1 . . . . 559 LEU CA . 16541 1 818 . 1 1 212 212 LEU CB C 13 37.39260 0 . 1 . . . . 559 LEU CB . 16541 1 819 . 1 1 212 212 LEU N N 15 118.48966 0.06134 . 1 . . . . 559 LEU N . 16541 1 820 . 1 1 213 213 PRO C C 13 179.56869 0 . 1 . . . . 560 PRO C . 16541 1 821 . 1 1 213 213 PRO CA C 13 65.49845 0 . 1 . . . . 560 PRO CA . 16541 1 822 . 1 1 213 213 PRO CB C 13 30.31224 0 . 1 . . . . 560 PRO CB . 16541 1 823 . 1 1 214 214 GLU H H 1 6.62826 0.00323 . 1 . . . . 561 GLU H . 16541 1 824 . 1 1 214 214 GLU C C 13 179.09489 0 . 1 . . . . 561 GLU C . 16541 1 825 . 1 1 214 214 GLU CA C 13 59.14828 0.00888 . 1 . . . . 561 GLU CA . 16541 1 826 . 1 1 214 214 GLU CB C 13 29.73957 7.40312E-05 . 1 . . . . 561 GLU CB . 16541 1 827 . 1 1 214 214 GLU N N 15 117.49174 0.06421 . 1 . . . . 561 GLU N . 16541 1 828 . 1 1 215 215 LEU H H 1 8.41477 0.00325 . 1 . . . . 562 LEU H . 16541 1 829 . 1 1 215 215 LEU C C 13 178.38711 0 . 1 . . . . 562 LEU C . 16541 1 830 . 1 1 215 215 LEU CA C 13 57.07368 0.03135 . 1 . . . . 562 LEU CA . 16541 1 831 . 1 1 215 215 LEU CB C 13 41.96951 0.04938 . 1 . . . . 562 LEU CB . 16541 1 832 . 1 1 215 215 LEU N N 15 123.03659 0.08565 . 1 . . . . 562 LEU N . 16541 1 833 . 1 1 216 216 ARG H H 1 8.05705 0.00375 . 1 . . . . 563 ARG H . 16541 1 834 . 1 1 216 216 ARG C C 13 179.79121 0 . 1 . . . . 563 ARG C . 16541 1 835 . 1 1 216 216 ARG CA C 13 59.84985 0.00408 . 1 . . . . 563 ARG CA . 16541 1 836 . 1 1 216 216 ARG CB C 13 28.47844 0.04729 . 1 . . . . 563 ARG CB . 16541 1 837 . 1 1 216 216 ARG N N 15 120.63360 0.08240 . 1 . . . . 563 ARG N . 16541 1 838 . 1 1 217 217 THR H H 1 8.16932 0.00372 . 1 . . . . 564 THR H . 16541 1 839 . 1 1 217 217 THR C C 13 177.34806 0 . 1 . . . . 564 THR C . 16541 1 840 . 1 1 217 217 THR CA C 13 66.48427 0.07492 . 1 . . . . 564 THR CA . 16541 1 841 . 1 1 217 217 THR N N 15 117.90176 0.03245 . 1 . . . . 564 THR N . 16541 1 842 . 1 1 218 218 LEU H H 1 8.12590 0.00862 . 1 . . . . 565 LEU H . 16541 1 843 . 1 1 218 218 LEU C C 13 180.21253 0 . 1 . . . . 565 LEU C . 16541 1 844 . 1 1 218 218 LEU CA C 13 57.79141 0.02831 . 1 . . . . 565 LEU CA . 16541 1 845 . 1 1 218 218 LEU CB C 13 40.93490 0.06498 . 1 . . . . 565 LEU CB . 16541 1 846 . 1 1 218 218 LEU N N 15 125.07903 0.06008 . 1 . . . . 565 LEU N . 16541 1 847 . 1 1 219 219 CYS H H 1 8.19188 0.00184 . 1 . . . . 566 CYS H . 16541 1 848 . 1 1 219 219 CYS CA C 13 57.25434 0 . 1 . . . . 566 CYS CA . 16541 1 849 . 1 1 219 219 CYS CB C 13 30.66025 0 . 1 . . . . 566 CYS CB . 16541 1 850 . 1 1 219 219 CYS N N 15 115.78155 0.06183 . 1 . . . . 566 CYS N . 16541 1 851 . 1 1 220 220 THR C C 13 176.46811 0 . 1 . . . . 567 THR C . 16541 1 852 . 1 1 220 220 THR CA C 13 66.17955 0 . 1 . . . . 567 THR CA . 16541 1 853 . 1 1 220 220 THR CB C 13 68.40116 0 . 1 . . . . 567 THR CB . 16541 1 854 . 1 1 221 221 GLN H H 1 7.27509 0 . 1 . . . . 568 GLN H . 16541 1 855 . 1 1 221 221 GLN C C 13 178.75043 0 . 1 . . . . 568 GLN C . 16541 1 856 . 1 1 221 221 GLN CA C 13 58.22799 0.01416 . 1 . . . . 568 GLN CA . 16541 1 857 . 1 1 221 221 GLN CB C 13 28.77788 0.00117 . 1 . . . . 568 GLN CB . 16541 1 858 . 1 1 221 221 GLN N N 15 120.77565 0 . 1 . . . . 568 GLN N . 16541 1 859 . 1 1 222 222 GLY H H 1 6.70220 0.00338 . 1 . . . . 569 GLY H . 16541 1 860 . 1 1 222 222 GLY C C 13 174.85366 0 . 1 . . . . 569 GLY C . 16541 1 861 . 1 1 222 222 GLY CA C 13 44.35120 0.02214 . 1 . . . . 569 GLY CA . 16541 1 862 . 1 1 222 222 GLY N N 15 109.31280 0.05482 . 1 . . . . 569 GLY N . 16541 1 863 . 1 1 223 223 LEU H H 1 7.75159 0.01047 . 1 . . . . 570 LEU H . 16541 1 864 . 1 1 223 223 LEU C C 13 179.10586 0 . 1 . . . . 570 LEU C . 16541 1 865 . 1 1 223 223 LEU CA C 13 57.60468 7.71048E-04 . 1 . . . . 570 LEU CA . 16541 1 866 . 1 1 223 223 LEU CB C 13 40.80493 0.03510 . 1 . . . . 570 LEU CB . 16541 1 867 . 1 1 223 223 LEU N N 15 122.30073 0.12443 . 1 . . . . 570 LEU N . 16541 1 868 . 1 1 224 224 GLN H H 1 7.69373 0.00309 . 1 . . . . 571 GLN H . 16541 1 869 . 1 1 224 224 GLN CA C 13 58.60584 0.08818 . 1 . . . . 571 GLN CA . 16541 1 870 . 1 1 224 224 GLN CB C 13 27.54478 0 . 1 . . . . 571 GLN CB . 16541 1 871 . 1 1 224 224 GLN N N 15 117.14908 0.07435 . 1 . . . . 571 GLN N . 16541 1 872 . 1 1 225 225 ARG H H 1 7.83672 0.01212 . 1 . . . . 572 ARG H . 16541 1 873 . 1 1 225 225 ARG CA C 13 56.90200 0 . 1 . . . . 572 ARG CA . 16541 1 874 . 1 1 225 225 ARG CB C 13 40.84054 0.14257 . 1 . . . . 572 ARG CB . 16541 1 875 . 1 1 225 225 ARG N N 15 120.84536 0.06565 . 1 . . . . 572 ARG N . 16541 1 876 . 1 1 226 226 ILE H H 1 7.97256 0.00421 . 1 . . . . 573 ILE H . 16541 1 877 . 1 1 226 226 ILE C C 13 177.68242 0 . 1 . . . . 573 ILE C . 16541 1 878 . 1 1 226 226 ILE CA C 13 65.52711 0 . 1 . . . . 573 ILE CA . 16541 1 879 . 1 1 226 226 ILE CB C 13 37.49159 0 . 1 . . . . 573 ILE CB . 16541 1 880 . 1 1 226 226 ILE N N 15 121.43846 0.14167 . 1 . . . . 573 ILE N . 16541 1 881 . 1 1 227 227 PHE H H 1 8.61146 0.01154 . 1 . . . . 574 PHE H . 16541 1 882 . 1 1 227 227 PHE C C 13 177.81453 0 . 1 . . . . 574 PHE C . 16541 1 883 . 1 1 227 227 PHE CA C 13 61.02837 0.00561 . 1 . . . . 574 PHE CA . 16541 1 884 . 1 1 227 227 PHE CB C 13 38.35594 0.06916 . 1 . . . . 574 PHE CB . 16541 1 885 . 1 1 227 227 PHE N N 15 121.15658 0.08143 . 1 . . . . 574 PHE N . 16541 1 886 . 1 1 228 228 TYR H H 1 8.27279 0.00376 . 1 . . . . 575 TYR H . 16541 1 887 . 1 1 228 228 TYR C C 13 178.29385 0 . 1 . . . . 575 TYR C . 16541 1 888 . 1 1 228 228 TYR CA C 13 61.60794 0.00124 . 1 . . . . 575 TYR CA . 16541 1 889 . 1 1 228 228 TYR CB C 13 37.39577 0.04704 . 1 . . . . 575 TYR CB . 16541 1 890 . 1 1 228 228 TYR N N 15 120.27433 0.07789 . 1 . . . . 575 TYR N . 16541 1 891 . 1 1 229 229 LEU H H 1 8.40831 0.01463 . 1 . . . . 576 LEU H . 16541 1 892 . 1 1 229 229 LEU CA C 13 57.62420 0 . 1 . . . . 576 LEU CA . 16541 1 893 . 1 1 229 229 LEU CB C 13 41.58286 0 . 1 . . . . 576 LEU CB . 16541 1 894 . 1 1 229 229 LEU N N 15 120.64016 0.06363 . 1 . . . . 576 LEU N . 16541 1 895 . 1 1 238 238 PRO C C 13 177.26815 0 . 1 . . . . 585 PRO C . 16541 1 896 . 1 1 238 238 PRO CA C 13 61.75687 0.10013 . 1 . . . . 585 PRO CA . 16541 1 897 . 1 1 238 238 PRO CB C 13 32.38407 0.13278 . 1 . . . . 585 PRO CB . 16541 1 898 . 1 1 238 238 PRO N N 15 120.41416 0.09328 . 1 . . . . 585 PRO N . 16541 1 899 . 1 1 239 239 ALA H H 1 8.62119 0.00310 . 1 . . . . 586 ALA H . 16541 1 900 . 1 1 239 239 ALA C C 13 180.15161 0 . 1 . . . . 586 ALA C . 16541 1 901 . 1 1 239 239 ALA CA C 13 55.34176 0.05388 . 1 . . . . 586 ALA CA . 16541 1 902 . 1 1 239 239 ALA N N 15 127.26040 0.06513 . 1 . . . . 586 ALA N . 16541 1 903 . 1 1 240 240 ILE H H 1 8.22720 0.00236 . 1 . . . . 587 ILE H . 16541 1 904 . 1 1 240 240 ILE C C 13 176.08265 0 . 1 . . . . 587 ILE C . 16541 1 905 . 1 1 240 240 ILE CA C 13 62.27861 0.02127 . 1 . . . . 587 ILE CA . 16541 1 906 . 1 1 240 240 ILE CB C 13 37.44926 0.04811 . 1 . . . . 587 ILE CB . 16541 1 907 . 1 1 240 240 ILE N N 15 114.68521 0.08935 . 1 . . . . 587 ILE N . 16541 1 908 . 1 1 241 241 ILE H H 1 6.99216 0.00210 . 1 . . . . 588 ILE H . 16541 1 909 . 1 1 241 241 ILE C C 13 176.99620 0 . 1 . . . . 588 ILE C . 16541 1 910 . 1 1 241 241 ILE CA C 13 61.20064 0.06355 . 1 . . . . 588 ILE CA . 16541 1 911 . 1 1 241 241 ILE CB C 13 35.55358 0.01122 . 1 . . . . 588 ILE CB . 16541 1 912 . 1 1 241 241 ILE N N 15 119.51654 0.05185 . 1 . . . . 588 ILE N . 16541 1 913 . 1 1 242 242 ASP H H 1 7.64258 0.00270 . 1 . . . . 589 ASP H . 16541 1 914 . 1 1 242 242 ASP C C 13 178.51616 0 . 1 . . . . 589 ASP C . 16541 1 915 . 1 1 242 242 ASP CA C 13 56.81502 0.01349 . 1 . . . . 589 ASP CA . 16541 1 916 . 1 1 242 242 ASP CB C 13 40.88612 0.04068 . 1 . . . . 589 ASP CB . 16541 1 917 . 1 1 242 242 ASP N N 15 120.60864 0.05198 . 1 . . . . 589 ASP N . 16541 1 918 . 1 1 243 243 LYS H H 1 7.65719 0.00223 . 1 . . . . 590 LYS H . 16541 1 919 . 1 1 243 243 LYS C C 13 177.83698 0 . 1 . . . . 590 LYS C . 16541 1 920 . 1 1 243 243 LYS CA C 13 57.70245 0.00138 . 1 . . . . 590 LYS CA . 16541 1 921 . 1 1 243 243 LYS CB C 13 31.72068 0.01746 . 1 . . . . 590 LYS CB . 16541 1 922 . 1 1 243 243 LYS N N 15 116.41385 0.06370 . 1 . . . . 590 LYS N . 16541 1 923 . 1 1 244 244 LEU H H 1 7.49581 0.00214 . 1 . . . . 591 LEU H . 16541 1 924 . 1 1 244 244 LEU C C 13 178.21927 0 . 1 . . . . 591 LEU C . 16541 1 925 . 1 1 244 244 LEU CA C 13 56.41878 0.02535 . 1 . . . . 591 LEU CA . 16541 1 926 . 1 1 244 244 LEU CB C 13 40.86157 0.01000 . 1 . . . . 591 LEU CB . 16541 1 927 . 1 1 244 244 LEU N N 15 117.58905 0.07453 . 1 . . . . 591 LEU N . 16541 1 928 . 1 1 245 245 PHE H H 1 7.52697 0.00350 . 1 . . . . 592 PHE H . 16541 1 929 . 1 1 245 245 PHE C C 13 176.08425 0 . 1 . . . . 592 PHE C . 16541 1 930 . 1 1 245 245 PHE CA C 13 57.52618 0.01711 . 1 . . . . 592 PHE CA . 16541 1 931 . 1 1 245 245 PHE CB C 13 38.92716 1.66142E-05 . 1 . . . . 592 PHE CB . 16541 1 932 . 1 1 245 245 PHE N N 15 115.80073 0.07683 . 1 . . . . 592 PHE N . 16541 1 933 . 1 1 246 246 LEU H H 1 7.81541 0.01863 . 1 . . . . 593 LEU H . 16541 1 934 . 1 1 246 246 LEU C C 13 177.70094 0 . 1 . . . . 593 LEU C . 16541 1 935 . 1 1 246 246 LEU CA C 13 55.89000 0.03774 . 1 . . . . 593 LEU CA . 16541 1 936 . 1 1 246 246 LEU CB C 13 41.46291 0.01861 . 1 . . . . 593 LEU CB . 16541 1 937 . 1 1 246 246 LEU N N 15 121.34579 0.04837 . 1 . . . . 593 LEU N . 16541 1 938 . 1 1 247 247 ASP H H 1 8.31672 0.00167 . 1 . . . . 594 ASP H . 16541 1 939 . 1 1 247 247 ASP C C 13 176.48703 0 . 1 . . . . 594 ASP C . 16541 1 940 . 1 1 247 247 ASP CA C 13 54.73075 0.00366 . 1 . . . . 594 ASP CA . 16541 1 941 . 1 1 247 247 ASP CB C 13 40.82808 0.07534 . 1 . . . . 594 ASP CB . 16541 1 942 . 1 1 247 247 ASP N N 15 119.78069 0.08019 . 1 . . . . 594 ASP N . 16541 1 943 . 1 1 248 248 THR H H 1 7.78302 0.00312 . 1 . . . . 595 THR H . 16541 1 944 . 1 1 248 248 THR C C 13 174.22211 0 . 1 . . . . 595 THR C . 16541 1 945 . 1 1 248 248 THR CA C 13 61.49738 0.03440 . 1 . . . . 595 THR CA . 16541 1 946 . 1 1 248 248 THR CB C 13 69.85360 0.00956 . 1 . . . . 595 THR CB . 16541 1 947 . 1 1 248 248 THR N N 15 112.78929 0.06844 . 1 . . . . 595 THR N . 16541 1 948 . 1 1 249 249 LEU H H 1 7.98755 0.01422 . 1 . . . . 596 LEU H . 16541 1 949 . 1 1 249 249 LEU CA C 13 52.73910 0 . 1 . . . . 596 LEU CA . 16541 1 950 . 1 1 249 249 LEU CB C 13 41.09199 0 . 1 . . . . 596 LEU CB . 16541 1 951 . 1 1 249 249 LEU N N 15 125.72813 0.06597 . 1 . . . . 596 LEU N . 16541 1 952 . 1 1 250 250 PRO C C 13 175.26254 0 . 1 . . . . 597 PRO C . 16541 1 953 . 1 1 250 250 PRO CA C 13 62.94457 0 . 1 . . . . 597 PRO CA . 16541 1 954 . 1 1 250 250 PRO CB C 13 30.67348 0 . 1 . . . . 597 PRO CB . 16541 1 955 . 1 1 251 251 PHE H H 1 7.20261 0.00919 . 1 . . . . 598 PHE H . 16541 1 956 . 1 1 251 251 PHE CA C 13 58.26889 0 . 1 . . . . 598 PHE CA . 16541 1 957 . 1 1 251 251 PHE N N 15 124.43395 0.10660 . 1 . . . . 598 PHE N . 16541 1 stop_ save_