data_52142 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52142 _Entry.Title ; 1H, 15N and 13C chemical shift assignments for the D2 domain of the human DEAD-box RNA helicase DDX3X ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-09-19 _Entry.Accession_date 2023-09-19 _Entry.Last_release_date 2023-09-20 _Entry.Original_release_date 2023-09-20 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Yuki Toyama . . . 0000-0003-0457-678X 52142 2 Ichio Shimada . . . . 52142 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52142 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 565 52142 '15N chemical shifts' 189 52142 '1H chemical shifts' 219 52142 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2024-04-26 2023-09-19 update BMRB 'update entry citation' 52142 1 . . 2024-03-18 2023-09-19 original author 'original release' 52142 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52143 'D1 domain of the human DEAD-box RNA helicase DDX3X' 52142 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52142 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38664397 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR characterization of RNA binding property of the DEAD-box RNA helicase DDX3X and its implications for helicase activity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 15 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 3303 _Citation.Page_last 3303 _Citation.Year 2024 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yuki Toyama . . . . 52142 1 2 Ichio Shimada . . . . 52142 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52142 _Assembly.ID 1 _Assembly.Name DDX3X _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'D2 domain' 1 $entity_1 . . yes native no no . . . 52142 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 5E7I . . 'X-ray crystallography' . . . 52142 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52142 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGGSTSENITQKVVWVEESD KRSFLLDLLNATGKDSLTLV FVETKKGADSLEDFLYHEGY ACTSIHGDRSQRDREEALHQ FRSGKSPILVATAVAARGLD ISNVKHVINFDLPSDIEEYV HRIGRTGRVGNLGLATSFFN ERNINITKDLLDLLVEAKQE VPSWLENMAYEHHYKGSSRG RSKSSRFSGGFGARDYRQSS G ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'The residues 3-201 of the sequence corresponds to the residues 409-607 of the full-length protein.' _Entity.Polymer_author_seq_details 'The first two Gly residues were introduced to facilitate the cleavage of N-terminal His-SUMO tag.' _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 201 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP O00571 . 'ATP-dependent RNA helicase DDX3X' . . . . . . . . . . . . . . 52142 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 1 GLY . 52142 1 2 2 GLY . 52142 1 3 409 GLY . 52142 1 4 410 SER . 52142 1 5 411 THR . 52142 1 6 412 SER . 52142 1 7 413 GLU . 52142 1 8 414 ASN . 52142 1 9 415 ILE . 52142 1 10 416 THR . 52142 1 11 417 GLN . 52142 1 12 418 LYS . 52142 1 13 419 VAL . 52142 1 14 420 VAL . 52142 1 15 421 TRP . 52142 1 16 422 VAL . 52142 1 17 423 GLU . 52142 1 18 424 GLU . 52142 1 19 425 SER . 52142 1 20 426 ASP . 52142 1 21 427 LYS . 52142 1 22 428 ARG . 52142 1 23 429 SER . 52142 1 24 430 PHE . 52142 1 25 431 LEU . 52142 1 26 432 LEU . 52142 1 27 433 ASP . 52142 1 28 434 LEU . 52142 1 29 435 LEU . 52142 1 30 436 ASN . 52142 1 31 437 ALA . 52142 1 32 438 THR . 52142 1 33 439 GLY . 52142 1 34 440 LYS . 52142 1 35 441 ASP . 52142 1 36 442 SER . 52142 1 37 443 LEU . 52142 1 38 444 THR . 52142 1 39 445 LEU . 52142 1 40 446 VAL . 52142 1 41 447 PHE . 52142 1 42 448 VAL . 52142 1 43 449 GLU . 52142 1 44 450 THR . 52142 1 45 451 LYS . 52142 1 46 452 LYS . 52142 1 47 453 GLY . 52142 1 48 454 ALA . 52142 1 49 455 ASP . 52142 1 50 456 SER . 52142 1 51 457 LEU . 52142 1 52 458 GLU . 52142 1 53 459 ASP . 52142 1 54 460 PHE . 52142 1 55 461 LEU . 52142 1 56 462 TYR . 52142 1 57 463 HIS . 52142 1 58 464 GLU . 52142 1 59 465 GLY . 52142 1 60 466 TYR . 52142 1 61 467 ALA . 52142 1 62 468 CYS . 52142 1 63 469 THR . 52142 1 64 470 SER . 52142 1 65 471 ILE . 52142 1 66 472 HIS . 52142 1 67 473 GLY . 52142 1 68 474 ASP . 52142 1 69 475 ARG . 52142 1 70 476 SER . 52142 1 71 477 GLN . 52142 1 72 478 ARG . 52142 1 73 479 ASP . 52142 1 74 480 ARG . 52142 1 75 481 GLU . 52142 1 76 482 GLU . 52142 1 77 483 ALA . 52142 1 78 484 LEU . 52142 1 79 485 HIS . 52142 1 80 486 GLN . 52142 1 81 487 PHE . 52142 1 82 488 ARG . 52142 1 83 489 SER . 52142 1 84 490 GLY . 52142 1 85 491 LYS . 52142 1 86 492 SER . 52142 1 87 493 PRO . 52142 1 88 494 ILE . 52142 1 89 495 LEU . 52142 1 90 496 VAL . 52142 1 91 497 ALA . 52142 1 92 498 THR . 52142 1 93 499 ALA . 52142 1 94 500 VAL . 52142 1 95 501 ALA . 52142 1 96 502 ALA . 52142 1 97 503 ARG . 52142 1 98 504 GLY . 52142 1 99 505 LEU . 52142 1 100 506 ASP . 52142 1 101 507 ILE . 52142 1 102 508 SER . 52142 1 103 509 ASN . 52142 1 104 510 VAL . 52142 1 105 511 LYS . 52142 1 106 512 HIS . 52142 1 107 513 VAL . 52142 1 108 514 ILE . 52142 1 109 515 ASN . 52142 1 110 516 PHE . 52142 1 111 517 ASP . 52142 1 112 518 LEU . 52142 1 113 519 PRO . 52142 1 114 520 SER . 52142 1 115 521 ASP . 52142 1 116 522 ILE . 52142 1 117 523 GLU . 52142 1 118 524 GLU . 52142 1 119 525 TYR . 52142 1 120 526 VAL . 52142 1 121 527 HIS . 52142 1 122 528 ARG . 52142 1 123 529 ILE . 52142 1 124 530 GLY . 52142 1 125 531 ARG . 52142 1 126 532 THR . 52142 1 127 533 GLY . 52142 1 128 534 ARG . 52142 1 129 535 VAL . 52142 1 130 536 GLY . 52142 1 131 537 ASN . 52142 1 132 538 LEU . 52142 1 133 539 GLY . 52142 1 134 540 LEU . 52142 1 135 541 ALA . 52142 1 136 542 THR . 52142 1 137 543 SER . 52142 1 138 544 PHE . 52142 1 139 545 PHE . 52142 1 140 546 ASN . 52142 1 141 547 GLU . 52142 1 142 548 ARG . 52142 1 143 549 ASN . 52142 1 144 550 ILE . 52142 1 145 551 ASN . 52142 1 146 552 ILE . 52142 1 147 553 THR . 52142 1 148 554 LYS . 52142 1 149 555 ASP . 52142 1 150 556 LEU . 52142 1 151 557 LEU . 52142 1 152 558 ASP . 52142 1 153 559 LEU . 52142 1 154 560 LEU . 52142 1 155 561 VAL . 52142 1 156 562 GLU . 52142 1 157 563 ALA . 52142 1 158 564 LYS . 52142 1 159 565 GLN . 52142 1 160 566 GLU . 52142 1 161 567 VAL . 52142 1 162 568 PRO . 52142 1 163 569 SER . 52142 1 164 570 TRP . 52142 1 165 571 LEU . 52142 1 166 572 GLU . 52142 1 167 573 ASN . 52142 1 168 574 MET . 52142 1 169 575 ALA . 52142 1 170 576 TYR . 52142 1 171 577 GLU . 52142 1 172 578 HIS . 52142 1 173 579 HIS . 52142 1 174 580 TYR . 52142 1 175 581 LYS . 52142 1 176 582 GLY . 52142 1 177 583 SER . 52142 1 178 584 SER . 52142 1 179 585 ARG . 52142 1 180 586 GLY . 52142 1 181 587 ARG . 52142 1 182 588 SER . 52142 1 183 589 LYS . 52142 1 184 590 SER . 52142 1 185 591 SER . 52142 1 186 592 ARG . 52142 1 187 593 PHE . 52142 1 188 594 SER . 52142 1 189 595 GLY . 52142 1 190 596 GLY . 52142 1 191 597 PHE . 52142 1 192 598 GLY . 52142 1 193 599 ALA . 52142 1 194 600 ARG . 52142 1 195 601 ASP . 52142 1 196 602 TYR . 52142 1 197 603 ARG . 52142 1 198 604 GLN . 52142 1 199 605 SER . 52142 1 200 606 SER . 52142 1 201 607 GLY . 52142 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 52142 1 . GLY 2 2 52142 1 . GLY 3 3 52142 1 . SER 4 4 52142 1 . THR 5 5 52142 1 . SER 6 6 52142 1 . GLU 7 7 52142 1 . ASN 8 8 52142 1 . ILE 9 9 52142 1 . THR 10 10 52142 1 . GLN 11 11 52142 1 . LYS 12 12 52142 1 . VAL 13 13 52142 1 . VAL 14 14 52142 1 . TRP 15 15 52142 1 . VAL 16 16 52142 1 . GLU 17 17 52142 1 . GLU 18 18 52142 1 . SER 19 19 52142 1 . ASP 20 20 52142 1 . LYS 21 21 52142 1 . ARG 22 22 52142 1 . SER 23 23 52142 1 . PHE 24 24 52142 1 . LEU 25 25 52142 1 . LEU 26 26 52142 1 . ASP 27 27 52142 1 . LEU 28 28 52142 1 . LEU 29 29 52142 1 . ASN 30 30 52142 1 . ALA 31 31 52142 1 . THR 32 32 52142 1 . GLY 33 33 52142 1 . LYS 34 34 52142 1 . ASP 35 35 52142 1 . SER 36 36 52142 1 . LEU 37 37 52142 1 . THR 38 38 52142 1 . LEU 39 39 52142 1 . VAL 40 40 52142 1 . PHE 41 41 52142 1 . VAL 42 42 52142 1 . GLU 43 43 52142 1 . THR 44 44 52142 1 . LYS 45 45 52142 1 . LYS 46 46 52142 1 . GLY 47 47 52142 1 . ALA 48 48 52142 1 . ASP 49 49 52142 1 . SER 50 50 52142 1 . LEU 51 51 52142 1 . GLU 52 52 52142 1 . ASP 53 53 52142 1 . PHE 54 54 52142 1 . LEU 55 55 52142 1 . TYR 56 56 52142 1 . HIS 57 57 52142 1 . GLU 58 58 52142 1 . GLY 59 59 52142 1 . TYR 60 60 52142 1 . ALA 61 61 52142 1 . CYS 62 62 52142 1 . THR 63 63 52142 1 . SER 64 64 52142 1 . ILE 65 65 52142 1 . HIS 66 66 52142 1 . GLY 67 67 52142 1 . ASP 68 68 52142 1 . ARG 69 69 52142 1 . SER 70 70 52142 1 . GLN 71 71 52142 1 . ARG 72 72 52142 1 . ASP 73 73 52142 1 . ARG 74 74 52142 1 . GLU 75 75 52142 1 . GLU 76 76 52142 1 . ALA 77 77 52142 1 . LEU 78 78 52142 1 . HIS 79 79 52142 1 . GLN 80 80 52142 1 . PHE 81 81 52142 1 . ARG 82 82 52142 1 . SER 83 83 52142 1 . GLY 84 84 52142 1 . LYS 85 85 52142 1 . SER 86 86 52142 1 . PRO 87 87 52142 1 . ILE 88 88 52142 1 . LEU 89 89 52142 1 . VAL 90 90 52142 1 . ALA 91 91 52142 1 . THR 92 92 52142 1 . ALA 93 93 52142 1 . VAL 94 94 52142 1 . ALA 95 95 52142 1 . ALA 96 96 52142 1 . ARG 97 97 52142 1 . GLY 98 98 52142 1 . LEU 99 99 52142 1 . ASP 100 100 52142 1 . ILE 101 101 52142 1 . SER 102 102 52142 1 . ASN 103 103 52142 1 . VAL 104 104 52142 1 . LYS 105 105 52142 1 . HIS 106 106 52142 1 . VAL 107 107 52142 1 . ILE 108 108 52142 1 . ASN 109 109 52142 1 . PHE 110 110 52142 1 . ASP 111 111 52142 1 . LEU 112 112 52142 1 . PRO 113 113 52142 1 . SER 114 114 52142 1 . ASP 115 115 52142 1 . ILE 116 116 52142 1 . GLU 117 117 52142 1 . GLU 118 118 52142 1 . TYR 119 119 52142 1 . VAL 120 120 52142 1 . HIS 121 121 52142 1 . ARG 122 122 52142 1 . ILE 123 123 52142 1 . GLY 124 124 52142 1 . ARG 125 125 52142 1 . THR 126 126 52142 1 . GLY 127 127 52142 1 . ARG 128 128 52142 1 . VAL 129 129 52142 1 . GLY 130 130 52142 1 . ASN 131 131 52142 1 . LEU 132 132 52142 1 . GLY 133 133 52142 1 . LEU 134 134 52142 1 . ALA 135 135 52142 1 . THR 136 136 52142 1 . SER 137 137 52142 1 . PHE 138 138 52142 1 . PHE 139 139 52142 1 . ASN 140 140 52142 1 . GLU 141 141 52142 1 . ARG 142 142 52142 1 . ASN 143 143 52142 1 . ILE 144 144 52142 1 . ASN 145 145 52142 1 . ILE 146 146 52142 1 . THR 147 147 52142 1 . LYS 148 148 52142 1 . ASP 149 149 52142 1 . LEU 150 150 52142 1 . LEU 151 151 52142 1 . ASP 152 152 52142 1 . LEU 153 153 52142 1 . LEU 154 154 52142 1 . VAL 155 155 52142 1 . GLU 156 156 52142 1 . ALA 157 157 52142 1 . LYS 158 158 52142 1 . GLN 159 159 52142 1 . GLU 160 160 52142 1 . VAL 161 161 52142 1 . PRO 162 162 52142 1 . SER 163 163 52142 1 . TRP 164 164 52142 1 . LEU 165 165 52142 1 . GLU 166 166 52142 1 . ASN 167 167 52142 1 . MET 168 168 52142 1 . ALA 169 169 52142 1 . TYR 170 170 52142 1 . GLU 171 171 52142 1 . HIS 172 172 52142 1 . HIS 173 173 52142 1 . TYR 174 174 52142 1 . LYS 175 175 52142 1 . GLY 176 176 52142 1 . SER 177 177 52142 1 . SER 178 178 52142 1 . ARG 179 179 52142 1 . GLY 180 180 52142 1 . ARG 181 181 52142 1 . SER 182 182 52142 1 . LYS 183 183 52142 1 . SER 184 184 52142 1 . SER 185 185 52142 1 . ARG 186 186 52142 1 . PHE 187 187 52142 1 . SER 188 188 52142 1 . GLY 189 189 52142 1 . GLY 190 190 52142 1 . PHE 191 191 52142 1 . GLY 192 192 52142 1 . ALA 193 193 52142 1 . ARG 194 194 52142 1 . ASP 195 195 52142 1 . TYR 196 196 52142 1 . ARG 197 197 52142 1 . GLN 198 198 52142 1 . SER 199 199 52142 1 . SER 200 200 52142 1 . GLY 201 201 52142 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52142 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli BL21(DE3) . . . . . . . . . . . . 52142 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52142 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-SUMO . . . 52142 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 52142 _Sample.ID 1 _Sample.Name 'D2 domain' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 'D2 domain' '[U-2H, 13C, 15N; Iled1-13C1H3; Leud/Valg-13C1H3/12CD3]' . . 1 $entity_1 . . 520 . . uM . . . . 52142 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 52142 1 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 52142 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 52142 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 52142 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'D2 domain' _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' 320 . mM 52142 1 pH 6.5 . pH 52142 1 pressure 1 . atm 52142 1 temperature 298 . K 52142 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52142 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52142 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52142 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52142 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52142 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52142 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52142 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52142 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no no no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52142 1 2 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52142 1 3 '3D HNCA' no no no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52142 1 4 '3D HN(CO)CACB' no no no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52142 1 5 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52142 1 6 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52142 1 7 '3D HNN' no no no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52142 1 8 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52142 1 9 '3D HMCM(CG)CB' no no no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52142 1 10 '3D HMCM(CGCB)CA' no no no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52142 1 11 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52142 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52142 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name H2O _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.772925 internal indirect 0.251449530 . . . . . 52142 1 H 1 water protons . . . . ppm 4.772925 internal direct 1 . . . . . 52142 1 N 15 water protons . . . . ppm 4.772925 internal indirect 0.101329118 . . . . . 52142 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 52142 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'D2 domain' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 52142 1 2 '3D HNCO' . . . 52142 1 3 '3D HNCA' . . . 52142 1 4 '3D HN(CO)CACB' . . . 52142 1 5 '3D HN(CA)CO' . . . 52142 1 6 '3D HN(CO)CA' . . . 52142 1 7 '3D HNN' . . . 52142 1 8 '2D 1H-13C HSQC' . . . 52142 1 9 '3D HMCM(CG)CB' . . . 52142 1 10 '3D HMCM(CGCB)CA' . . . 52142 1 11 '3D HNCACB' . . . 52142 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52142 1 2 $software_2 . . 52142 1 3 $software_3 . . 52142 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 GLY H H 1 8.434 0 . 1 . . . . . 409 GLY H . 52142 1 2 . 1 . 1 3 3 GLY C C 13 174.382 0 . 1 . . . . . 409 GLY C . 52142 1 3 . 1 . 1 3 3 GLY CA C 13 44.804 0 . 1 . . . . . 409 GLY CA . 52142 1 4 . 1 . 1 3 3 GLY N N 15 109.961 0.01 . 1 . . . . . 409 GLY N . 52142 1 5 . 1 . 1 4 4 SER H H 1 8.278 0 . 1 . . . . . 410 SER H . 52142 1 6 . 1 . 1 4 4 SER C C 13 175.165 0 . 1 . . . . . 410 SER C . 52142 1 7 . 1 . 1 4 4 SER CA C 13 58.089 0 . 1 . . . . . 410 SER CA . 52142 1 8 . 1 . 1 4 4 SER CB C 13 63.277 0 . 1 . . . . . 410 SER CB . 52142 1 9 . 1 . 1 4 4 SER N N 15 116.522 0.01 . 1 . . . . . 410 SER N . 52142 1 10 . 1 . 1 5 5 THR H H 1 8.239 0 . 1 . . . . . 411 THR H . 52142 1 11 . 1 . 1 5 5 THR C C 13 174.886 0 . 1 . . . . . 411 THR C . 52142 1 12 . 1 . 1 5 5 THR CA C 13 61.789 0 . 1 . . . . . 411 THR CA . 52142 1 13 . 1 . 1 5 5 THR CB C 13 69.188 0 . 1 . . . . . 411 THR CB . 52142 1 14 . 1 . 1 5 5 THR N N 15 116.101 0.01 . 1 . . . . . 411 THR N . 52142 1 15 . 1 . 1 6 6 SER H H 1 8.289 0 . 1 . . . . . 412 SER H . 52142 1 16 . 1 . 1 6 6 SER C C 13 174.793 0 . 1 . . . . . 412 SER C . 52142 1 17 . 1 . 1 6 6 SER CA C 13 58.171 0 . 1 . . . . . 412 SER CA . 52142 1 18 . 1 . 1 6 6 SER CB C 13 63.079 0 . 1 . . . . . 412 SER CB . 52142 1 19 . 1 . 1 6 6 SER N N 15 117.71 0.02 . 1 . . . . . 412 SER N . 52142 1 20 . 1 . 1 7 7 GLU H H 1 8.307 0 . 1 . . . . . 413 GLU H . 52142 1 21 . 1 . 1 7 7 GLU C C 13 176.201 0 . 1 . . . . . 413 GLU C . 52142 1 22 . 1 . 1 7 7 GLU CA C 13 56.621 0 . 1 . . . . . 413 GLU CA . 52142 1 23 . 1 . 1 7 7 GLU CB C 13 29.296 0 . 1 . . . . . 413 GLU CB . 52142 1 24 . 1 . 1 7 7 GLU N N 15 122.468 0 . 1 . . . . . 413 GLU N . 52142 1 25 . 1 . 1 8 8 ASN H H 1 8.354 0 . 1 . . . . . 414 ASN H . 52142 1 26 . 1 . 1 8 8 ASN C C 13 174.223 0 . 1 . . . . . 414 ASN C . 52142 1 27 . 1 . 1 8 8 ASN CA C 13 53.008 0 . 1 . . . . . 414 ASN CA . 52142 1 28 . 1 . 1 8 8 ASN CB C 13 38.664 0 . 1 . . . . . 414 ASN CB . 52142 1 29 . 1 . 1 8 8 ASN N N 15 118.221 0 . 1 . . . . . 414 ASN N . 52142 1 30 . 1 . 1 9 9 ILE H H 1 7.681 0 . 1 . . . . . 415 ILE H . 52142 1 31 . 1 . 1 9 9 ILE HD11 H 1 0.742 0.01 . 1 . . . . . 415 ILE HD1 . 52142 1 32 . 1 . 1 9 9 ILE HD12 H 1 0.742 0.01 . 1 . . . . . 415 ILE HD1 . 52142 1 33 . 1 . 1 9 9 ILE HD13 H 1 0.742 0.01 . 1 . . . . . 415 ILE HD1 . 52142 1 34 . 1 . 1 9 9 ILE C C 13 175.862 0 . 1 . . . . . 415 ILE C . 52142 1 35 . 1 . 1 9 9 ILE CA C 13 60.206 0.01 . 1 . . . . . 415 ILE CA . 52142 1 36 . 1 . 1 9 9 ILE CB C 13 39.489 0.03 . 1 . . . . . 415 ILE CB . 52142 1 37 . 1 . 1 9 9 ILE CD1 C 13 14.27 0 . 1 . . . . . 415 ILE CD1 . 52142 1 38 . 1 . 1 9 9 ILE N N 15 120.307 0 . 1 . . . . . 415 ILE N . 52142 1 39 . 1 . 1 10 10 THR H H 1 8.283 0 . 1 . . . . . 416 THR H . 52142 1 40 . 1 . 1 10 10 THR C C 13 173.554 0 . 1 . . . . . 416 THR C . 52142 1 41 . 1 . 1 10 10 THR CA C 13 62.341 0 . 1 . . . . . 416 THR CA . 52142 1 42 . 1 . 1 10 10 THR CB C 13 68.671 0 . 1 . . . . . 416 THR CB . 52142 1 43 . 1 . 1 10 10 THR N N 15 125.715 0.01 . 1 . . . . . 416 THR N . 52142 1 44 . 1 . 1 11 11 GLN H H 1 8.864 0 . 1 . . . . . 417 GLN H . 52142 1 45 . 1 . 1 11 11 GLN C C 13 174.743 0 . 1 . . . . . 417 GLN C . 52142 1 46 . 1 . 1 11 11 GLN CA C 13 54.278 0 . 1 . . . . . 417 GLN CA . 52142 1 47 . 1 . 1 11 11 GLN CB C 13 31.451 0 . 1 . . . . . 417 GLN CB . 52142 1 48 . 1 . 1 11 11 GLN N N 15 127.317 0.01 . 1 . . . . . 417 GLN N . 52142 1 49 . 1 . 1 12 12 LYS H H 1 9.134 0 . 1 . . . . . 418 LYS H . 52142 1 50 . 1 . 1 12 12 LYS C C 13 174.981 0 . 1 . . . . . 418 LYS C . 52142 1 51 . 1 . 1 12 12 LYS CA C 13 54.045 0 . 1 . . . . . 418 LYS CA . 52142 1 52 . 1 . 1 12 12 LYS CB C 13 33.953 0 . 1 . . . . . 418 LYS CB . 52142 1 53 . 1 . 1 12 12 LYS N N 15 125.105 0 . 1 . . . . . 418 LYS N . 52142 1 54 . 1 . 1 13 13 VAL H H 1 8.684 0 . 1 . . . . . 419 VAL H . 52142 1 55 . 1 . 1 13 13 VAL C C 13 174.17 0 . 1 . . . . . 419 VAL C . 52142 1 56 . 1 . 1 13 13 VAL CA C 13 61.184 0 . 1 . . . . . 419 VAL CA . 52142 1 57 . 1 . 1 13 13 VAL CB C 13 32.436 0 . 1 . . . . . 419 VAL CB . 52142 1 58 . 1 . 1 13 13 VAL N N 15 127.006 0 . 1 . . . . . 419 VAL N . 52142 1 59 . 1 . 1 14 14 VAL H H 1 9 0 . 1 . . . . . 420 VAL H . 52142 1 60 . 1 . 1 14 14 VAL C C 13 173.762 0 . 1 . . . . . 420 VAL C . 52142 1 61 . 1 . 1 14 14 VAL CA C 13 59.424 0 . 1 . . . . . 420 VAL CA . 52142 1 62 . 1 . 1 14 14 VAL CB C 13 34.707 0 . 1 . . . . . 420 VAL CB . 52142 1 63 . 1 . 1 14 14 VAL N N 15 125.237 0.01 . 1 . . . . . 420 VAL N . 52142 1 64 . 1 . 1 15 15 TRP H H 1 8.503 0 . 1 . . . . . 421 TRP H . 52142 1 65 . 1 . 1 15 15 TRP HE1 H 1 10.306 0 . 1 . . . . . 421 TRP HE1 . 52142 1 66 . 1 . 1 15 15 TRP C C 13 176.207 0 . 1 . . . . . 421 TRP C . 52142 1 67 . 1 . 1 15 15 TRP CA C 13 56.001 0 . 1 . . . . . 421 TRP CA . 52142 1 68 . 1 . 1 15 15 TRP CB C 13 25.776 0 . 1 . . . . . 421 TRP CB . 52142 1 69 . 1 . 1 15 15 TRP N N 15 127.946 0 . 1 . . . . . 421 TRP N . 52142 1 70 . 1 . 1 15 15 TRP NE1 N 15 130.33 0 . 1 . . . . . 421 TRP NE1 . 52142 1 71 . 1 . 1 16 16 VAL H H 1 7.898 0 . 1 . . . . . 422 VAL H . 52142 1 72 . 1 . 1 16 16 VAL C C 13 174.781 0 . 1 . . . . . 422 VAL C . 52142 1 73 . 1 . 1 16 16 VAL CA C 13 60.225 0 . 1 . . . . . 422 VAL CA . 52142 1 74 . 1 . 1 16 16 VAL CB C 13 33.956 0 . 1 . . . . . 422 VAL CB . 52142 1 75 . 1 . 1 16 16 VAL N N 15 130.275 0 . 1 . . . . . 422 VAL N . 52142 1 76 . 1 . 1 17 17 GLU H H 1 8.893 0 . 1 . . . . . 423 GLU H . 52142 1 77 . 1 . 1 17 17 GLU C C 13 178.407 0 . 1 . . . . . 423 GLU C . 52142 1 78 . 1 . 1 17 17 GLU CA C 13 55.562 0 . 1 . . . . . 423 GLU CA . 52142 1 79 . 1 . 1 17 17 GLU CB C 13 28.115 0 . 1 . . . . . 423 GLU CB . 52142 1 80 . 1 . 1 17 17 GLU N N 15 125.874 0 . 1 . . . . . 423 GLU N . 52142 1 81 . 1 . 1 18 18 GLU H H 1 9.14 0 . 1 . . . . . 424 GLU H . 52142 1 82 . 1 . 1 18 18 GLU C C 13 179.623 0 . 1 . . . . . 424 GLU C . 52142 1 83 . 1 . 1 18 18 GLU CA C 13 59.489 0 . 1 . . . . . 424 GLU CA . 52142 1 84 . 1 . 1 18 18 GLU CB C 13 28.937 0 . 1 . . . . . 424 GLU CB . 52142 1 85 . 1 . 1 18 18 GLU N N 15 123.272 0 . 1 . . . . . 424 GLU N . 52142 1 86 . 1 . 1 19 19 SER H H 1 8.434 0 . 1 . . . . . 425 SER H . 52142 1 87 . 1 . 1 19 19 SER C C 13 174.727 0 . 1 . . . . . 425 SER C . 52142 1 88 . 1 . 1 19 19 SER CA C 13 59.934 0 . 1 . . . . . 425 SER CA . 52142 1 89 . 1 . 1 19 19 SER CB C 13 62.127 0 . 1 . . . . . 425 SER CB . 52142 1 90 . 1 . 1 19 19 SER N N 15 111.146 0.01 . 1 . . . . . 425 SER N . 52142 1 91 . 1 . 1 20 20 ASP H H 1 7.652 0 . 1 . . . . . 426 ASP H . 52142 1 92 . 1 . 1 20 20 ASP C C 13 175.912 0 . 1 . . . . . 426 ASP C . 52142 1 93 . 1 . 1 20 20 ASP CA C 13 54.082 0 . 1 . . . . . 426 ASP CA . 52142 1 94 . 1 . 1 20 20 ASP CB C 13 41.906 0 . 1 . . . . . 426 ASP CB . 52142 1 95 . 1 . 1 20 20 ASP N N 15 121.153 0.01 . 1 . . . . . 426 ASP N . 52142 1 96 . 1 . 1 21 21 LYS H H 1 6.99 0 . 1 . . . . . 427 LYS H . 52142 1 97 . 1 . 1 21 21 LYS C C 13 178.141 0 . 1 . . . . . 427 LYS C . 52142 1 98 . 1 . 1 21 21 LYS CA C 13 60.929 0 . 1 . . . . . 427 LYS CA . 52142 1 99 . 1 . 1 21 21 LYS CB C 13 33.383 0 . 1 . . . . . 427 LYS CB . 52142 1 100 . 1 . 1 21 21 LYS N N 15 121.223 0 . 1 . . . . . 427 LYS N . 52142 1 101 . 1 . 1 22 22 ARG H H 1 8.427 0 . 1 . . . . . 428 ARG H . 52142 1 102 . 1 . 1 22 22 ARG C C 13 177.53 0 . 1 . . . . . 428 ARG C . 52142 1 103 . 1 . 1 22 22 ARG CA C 13 61.422 0 . 1 . . . . . 428 ARG CA . 52142 1 104 . 1 . 1 22 22 ARG CB C 13 28.137 0 . 1 . . . . . 428 ARG CB . 52142 1 105 . 1 . 1 22 22 ARG N N 15 117.647 0 . 1 . . . . . 428 ARG N . 52142 1 106 . 1 . 1 23 23 SER H H 1 8.106 0 . 1 . . . . . 429 SER H . 52142 1 107 . 1 . 1 23 23 SER C C 13 177.178 0 . 1 . . . . . 429 SER C . 52142 1 108 . 1 . 1 23 23 SER CA C 13 61.122 0 . 1 . . . . . 429 SER CA . 52142 1 109 . 1 . 1 23 23 SER N N 15 114.422 0.01 . 1 . . . . . 429 SER N . 52142 1 110 . 1 . 1 24 24 PHE H H 1 8.351 0 . 1 . . . . . 430 PHE H . 52142 1 111 . 1 . 1 24 24 PHE C C 13 178.767 0 . 1 . . . . . 430 PHE C . 52142 1 112 . 1 . 1 24 24 PHE CA C 13 60.524 0 . 1 . . . . . 430 PHE CA . 52142 1 113 . 1 . 1 24 24 PHE CB C 13 38.301 0 . 1 . . . . . 430 PHE CB . 52142 1 114 . 1 . 1 24 24 PHE N N 15 124.378 0 . 1 . . . . . 430 PHE N . 52142 1 115 . 1 . 1 25 25 LEU H H 1 8.728 0 . 1 . . . . . 431 LEU H . 52142 1 116 . 1 . 1 25 25 LEU C C 13 177.979 0 . 1 . . . . . 431 LEU C . 52142 1 117 . 1 . 1 25 25 LEU CA C 13 58.349 0 . 1 . . . . . 431 LEU CA . 52142 1 118 . 1 . 1 25 25 LEU CB C 13 40.904 0 . 1 . . . . . 431 LEU CB . 52142 1 119 . 1 . 1 25 25 LEU N N 15 119.857 0 . 1 . . . . . 431 LEU N . 52142 1 120 . 1 . 1 26 26 LEU H H 1 7.98 0 . 1 . . . . . 432 LEU H . 52142 1 121 . 1 . 1 26 26 LEU C C 13 179.025 0 . 1 . . . . . 432 LEU C . 52142 1 122 . 1 . 1 26 26 LEU CA C 13 58.088 0 . 1 . . . . . 432 LEU CA . 52142 1 123 . 1 . 1 26 26 LEU CB C 13 39.906 0 . 1 . . . . . 432 LEU CB . 52142 1 124 . 1 . 1 26 26 LEU N N 15 117.903 0 . 1 . . . . . 432 LEU N . 52142 1 125 . 1 . 1 27 27 ASP H H 1 7.453 0 . 1 . . . . . 433 ASP H . 52142 1 126 . 1 . 1 27 27 ASP C C 13 179.529 0 . 1 . . . . . 433 ASP C . 52142 1 127 . 1 . 1 27 27 ASP CA C 13 57.111 0 . 1 . . . . . 433 ASP CA . 52142 1 128 . 1 . 1 27 27 ASP CB C 13 39.687 0 . 1 . . . . . 433 ASP CB . 52142 1 129 . 1 . 1 27 27 ASP N N 15 118.921 0 . 1 . . . . . 433 ASP N . 52142 1 130 . 1 . 1 28 28 LEU H H 1 8.026 0 . 1 . . . . . 434 LEU H . 52142 1 131 . 1 . 1 28 28 LEU C C 13 180.71 0 . 1 . . . . . 434 LEU C . 52142 1 132 . 1 . 1 28 28 LEU CA C 13 57.211 0 . 1 . . . . . 434 LEU CA . 52142 1 133 . 1 . 1 28 28 LEU CB C 13 41.522 0 . 1 . . . . . 434 LEU CB . 52142 1 134 . 1 . 1 28 28 LEU N N 15 121.382 0.01 . 1 . . . . . 434 LEU N . 52142 1 135 . 1 . 1 29 29 LEU H H 1 8.716 0 . 1 . . . . . 435 LEU H . 52142 1 136 . 1 . 1 29 29 LEU C C 13 180.276 0 . 1 . . . . . 435 LEU C . 52142 1 137 . 1 . 1 29 29 LEU CA C 13 57.074 0 . 1 . . . . . 435 LEU CA . 52142 1 138 . 1 . 1 29 29 LEU CB C 13 40.042 0 . 1 . . . . . 435 LEU CB . 52142 1 139 . 1 . 1 29 29 LEU N N 15 121.855 0 . 1 . . . . . 435 LEU N . 52142 1 140 . 1 . 1 30 30 ASN H H 1 8.428 0 . 1 . . . . . 436 ASN H . 52142 1 141 . 1 . 1 30 30 ASN C C 13 176.794 0 . 1 . . . . . 436 ASN C . 52142 1 142 . 1 . 1 30 30 ASN CA C 13 55.027 0 . 1 . . . . . 436 ASN CA . 52142 1 143 . 1 . 1 30 30 ASN CB C 13 37.735 0 . 1 . . . . . 436 ASN CB . 52142 1 144 . 1 . 1 30 30 ASN N N 15 119.074 0 . 1 . . . . . 436 ASN N . 52142 1 145 . 1 . 1 31 31 ALA H H 1 7.646 0 . 1 . . . . . 437 ALA H . 52142 1 146 . 1 . 1 31 31 ALA C C 13 178.597 0 . 1 . . . . . 437 ALA C . 52142 1 147 . 1 . 1 31 31 ALA CA C 13 52.929 0 . 1 . . . . . 437 ALA CA . 52142 1 148 . 1 . 1 31 31 ALA CB C 13 18.44 0 . 1 . . . . . 437 ALA CB . 52142 1 149 . 1 . 1 31 31 ALA N N 15 121.309 0 . 1 . . . . . 437 ALA N . 52142 1 150 . 1 . 1 32 32 THR H H 1 7.696 0 . 1 . . . . . 438 THR H . 52142 1 151 . 1 . 1 32 32 THR C C 13 175.139 0 . 1 . . . . . 438 THR C . 52142 1 152 . 1 . 1 32 32 THR CA C 13 63.141 0 . 1 . . . . . 438 THR CA . 52142 1 153 . 1 . 1 32 32 THR CB C 13 69.523 0 . 1 . . . . . 438 THR CB . 52142 1 154 . 1 . 1 32 32 THR N N 15 113.183 0 . 1 . . . . . 438 THR N . 52142 1 155 . 1 . 1 33 33 GLY H H 1 8.107 0 . 1 . . . . . 439 GLY H . 52142 1 156 . 1 . 1 33 33 GLY C C 13 174.787 0 . 1 . . . . . 439 GLY C . 52142 1 157 . 1 . 1 33 33 GLY CA C 13 44.91 0 . 1 . . . . . 439 GLY CA . 52142 1 158 . 1 . 1 33 33 GLY N N 15 111.934 0 . 1 . . . . . 439 GLY N . 52142 1 159 . 1 . 1 34 34 LYS H H 1 8.479 0 . 1 . . . . . 440 LYS H . 52142 1 160 . 1 . 1 34 34 LYS C C 13 176.459 0 . 1 . . . . . 440 LYS C . 52142 1 161 . 1 . 1 34 34 LYS CA C 13 57.192 0 . 1 . . . . . 440 LYS CA . 52142 1 162 . 1 . 1 34 34 LYS CB C 13 31.579 0 . 1 . . . . . 440 LYS CB . 52142 1 163 . 1 . 1 34 34 LYS N N 15 122.05 0.01 . 1 . . . . . 440 LYS N . 52142 1 164 . 1 . 1 35 35 ASP H H 1 8.488 0 . 1 . . . . . 441 ASP H . 52142 1 165 . 1 . 1 35 35 ASP C C 13 175.63 0 . 1 . . . . . 441 ASP C . 52142 1 166 . 1 . 1 35 35 ASP CA C 13 53.725 0 . 1 . . . . . 441 ASP CA . 52142 1 167 . 1 . 1 35 35 ASP CB C 13 39.909 0 . 1 . . . . . 441 ASP CB . 52142 1 168 . 1 . 1 35 35 ASP N N 15 118.135 0 . 1 . . . . . 441 ASP N . 52142 1 169 . 1 . 1 36 36 SER H H 1 7.487 0 . 1 . . . . . 442 SER H . 52142 1 170 . 1 . 1 36 36 SER C C 13 173.643 0 . 1 . . . . . 442 SER C . 52142 1 171 . 1 . 1 36 36 SER CA C 13 57.317 0 . 1 . . . . . 442 SER CA . 52142 1 172 . 1 . 1 36 36 SER CB C 13 63.82 0 . 1 . . . . . 442 SER CB . 52142 1 173 . 1 . 1 36 36 SER N N 15 115.522 0 . 1 . . . . . 442 SER N . 52142 1 174 . 1 . 1 37 37 LEU H H 1 8.417 0 . 1 . . . . . 443 LEU H . 52142 1 175 . 1 . 1 37 37 LEU C C 13 177.346 0 . 1 . . . . . 443 LEU C . 52142 1 176 . 1 . 1 37 37 LEU CA C 13 55.439 0 . 1 . . . . . 443 LEU CA . 52142 1 177 . 1 . 1 37 37 LEU CB C 13 40.714 0 . 1 . . . . . 443 LEU CB . 52142 1 178 . 1 . 1 37 37 LEU N N 15 125.607 0.01 . 1 . . . . . 443 LEU N . 52142 1 179 . 1 . 1 38 38 THR H H 1 8.963 0 . 1 . . . . . 444 THR H . 52142 1 180 . 1 . 1 38 38 THR C C 13 171.400 0 . 1 . . . . . 444 THR C . 52142 1 181 . 1 . 1 38 38 THR CA C 13 61.901 0 . 1 . . . . . 444 THR CA . 52142 1 182 . 1 . 1 38 38 THR CB C 13 71.132 0 . 1 . . . . . 444 THR CB . 52142 1 183 . 1 . 1 38 38 THR N N 15 122.762 0.01 . 1 . . . . . 444 THR N . 52142 1 184 . 1 . 1 39 39 LEU H H 1 8.613 0 . 1 . . . . . 445 LEU H . 52142 1 185 . 1 . 1 39 39 LEU C C 13 173.411 0 . 1 . . . . . 445 LEU C . 52142 1 186 . 1 . 1 39 39 LEU CA C 13 52.376 0 . 1 . . . . . 445 LEU CA . 52142 1 187 . 1 . 1 39 39 LEU CB C 13 45.754 0 . 1 . . . . . 445 LEU CB . 52142 1 188 . 1 . 1 39 39 LEU N N 15 130.018 0 . 1 . . . . . 445 LEU N . 52142 1 189 . 1 . 1 40 40 VAL H H 1 9.111 0 . 1 . . . . . 446 VAL H . 52142 1 190 . 1 . 1 40 40 VAL C C 13 174.265 0 . 1 . . . . . 446 VAL C . 52142 1 191 . 1 . 1 40 40 VAL CA C 13 59.799 0 . 1 . . . . . 446 VAL CA . 52142 1 192 . 1 . 1 40 40 VAL CB C 13 32.719 0 . 1 . . . . . 446 VAL CB . 52142 1 193 . 1 . 1 40 40 VAL N N 15 126.742 0.01 . 1 . . . . . 446 VAL N . 52142 1 194 . 1 . 1 41 41 PHE H H 1 8.959 0 . 1 . . . . . 447 PHE H . 52142 1 195 . 1 . 1 41 41 PHE C C 13 175.944 0 . 1 . . . . . 447 PHE C . 52142 1 196 . 1 . 1 41 41 PHE CA C 13 57.484 0 . 1 . . . . . 447 PHE CA . 52142 1 197 . 1 . 1 41 41 PHE CB C 13 41.495 0 . 1 . . . . . 447 PHE CB . 52142 1 198 . 1 . 1 41 41 PHE N N 15 124.329 0.02 . 1 . . . . . 447 PHE N . 52142 1 199 . 1 . 1 42 42 VAL H H 1 8.361 0 . 1 . . . . . 448 VAL H . 52142 1 200 . 1 . 1 42 42 VAL C C 13 176.283 0 . 1 . . . . . 448 VAL C . 52142 1 201 . 1 . 1 42 42 VAL CA C 13 58.085 0 . 1 . . . . . 448 VAL CA . 52142 1 202 . 1 . 1 42 42 VAL CB C 13 34.481 0 . 1 . . . . . 448 VAL CB . 52142 1 203 . 1 . 1 42 42 VAL N N 15 115.245 0.01 . 1 . . . . . 448 VAL N . 52142 1 204 . 1 . 1 43 43 GLU H H 1 9.905 0 . 1 . . . . . 449 GLU H . 52142 1 205 . 1 . 1 43 43 GLU C C 13 177.468 0 . 1 . . . . . 449 GLU C . 52142 1 206 . 1 . 1 43 43 GLU CA C 13 59.088 0 . 1 . . . . . 449 GLU CA . 52142 1 207 . 1 . 1 43 43 GLU CB C 13 29.981 0 . 1 . . . . . 449 GLU CB . 52142 1 208 . 1 . 1 43 43 GLU N N 15 122.256 0 . 1 . . . . . 449 GLU N . 52142 1 209 . 1 . 1 44 44 THR H H 1 7.673 0 . 1 . . . . . 450 THR H . 52142 1 210 . 1 . 1 44 44 THR C C 13 174.537 0 . 1 . . . . . 450 THR C . 52142 1 211 . 1 . 1 44 44 THR CA C 13 58.64 0 . 1 . . . . . 450 THR CA . 52142 1 212 . 1 . 1 44 44 THR CB C 13 72.735 0 . 1 . . . . . 450 THR CB . 52142 1 213 . 1 . 1 44 44 THR N N 15 105.351 0.01 . 1 . . . . . 450 THR N . 52142 1 214 . 1 . 1 45 45 LYS H H 1 8.6 0 . 1 . . . . . 451 LYS H . 52142 1 215 . 1 . 1 45 45 LYS C C 13 177.86 0 . 1 . . . . . 451 LYS C . 52142 1 216 . 1 . 1 45 45 LYS CA C 13 59.109 0 . 1 . . . . . 451 LYS CA . 52142 1 217 . 1 . 1 45 45 LYS CB C 13 30.856 0 . 1 . . . . . 451 LYS CB . 52142 1 218 . 1 . 1 45 45 LYS N N 15 123.047 0 . 1 . . . . . 451 LYS N . 52142 1 219 . 1 . 1 46 46 LYS H H 1 8.097 0 . 1 . . . . . 452 LYS H . 52142 1 220 . 1 . 1 46 46 LYS C C 13 179.846 0 . 1 . . . . . 452 LYS C . 52142 1 221 . 1 . 1 46 46 LYS CA C 13 58.537 0 . 1 . . . . . 452 LYS CA . 52142 1 222 . 1 . 1 46 46 LYS CB C 13 31.046 0 . 1 . . . . . 452 LYS CB . 52142 1 223 . 1 . 1 46 46 LYS N N 15 119.465 0.01 . 1 . . . . . 452 LYS N . 52142 1 224 . 1 . 1 47 47 GLY H H 1 8.117 0 . 1 . . . . . 453 GLY H . 52142 1 225 . 1 . 1 47 47 GLY C C 13 176.288 0 . 1 . . . . . 453 GLY C . 52142 1 226 . 1 . 1 47 47 GLY CA C 13 45.838 0 . 1 . . . . . 453 GLY CA . 52142 1 227 . 1 . 1 47 47 GLY N N 15 109.862 0.01 . 1 . . . . . 453 GLY N . 52142 1 228 . 1 . 1 48 48 ALA H H 1 8.103 0 . 1 . . . . . 454 ALA H . 52142 1 229 . 1 . 1 48 48 ALA C C 13 178.057 0 . 1 . . . . . 454 ALA C . 52142 1 230 . 1 . 1 48 48 ALA CA C 13 54.714 0 . 1 . . . . . 454 ALA CA . 52142 1 231 . 1 . 1 48 48 ALA CB C 13 16.665 0 . 1 . . . . . 454 ALA CB . 52142 1 232 . 1 . 1 48 48 ALA N N 15 127.387 0.02 . 1 . . . . . 454 ALA N . 52142 1 233 . 1 . 1 49 49 ASP H H 1 8.076 0 . 1 . . . . . 455 ASP H . 52142 1 234 . 1 . 1 49 49 ASP C C 13 179.252 0 . 1 . . . . . 455 ASP C . 52142 1 235 . 1 . 1 49 49 ASP CA C 13 56.846 0 . 1 . . . . . 455 ASP CA . 52142 1 236 . 1 . 1 49 49 ASP CB C 13 40.203 0 . 1 . . . . . 455 ASP CB . 52142 1 237 . 1 . 1 49 49 ASP N N 15 118.799 0.02 . 1 . . . . . 455 ASP N . 52142 1 238 . 1 . 1 50 50 SER H H 1 8.081 0 . 1 . . . . . 456 SER H . 52142 1 239 . 1 . 1 50 50 SER C C 13 177.701 0 . 1 . . . . . 456 SER C . 52142 1 240 . 1 . 1 50 50 SER CA C 13 60.301 0 . 1 . . . . . 456 SER CA . 52142 1 241 . 1 . 1 50 50 SER CB C 13 62.415 0 . 1 . . . . . 456 SER CB . 52142 1 242 . 1 . 1 50 50 SER N N 15 113.922 0.01 . 1 . . . . . 456 SER N . 52142 1 243 . 1 . 1 51 51 LEU H H 1 8.179 0 . 1 . . . . . 457 LEU H . 52142 1 244 . 1 . 1 51 51 LEU C C 13 178.318 0 . 1 . . . . . 457 LEU C . 52142 1 245 . 1 . 1 51 51 LEU CA C 13 56.879 0 . 1 . . . . . 457 LEU CA . 52142 1 246 . 1 . 1 51 51 LEU CB C 13 40.403 0 . 1 . . . . . 457 LEU CB . 52142 1 247 . 1 . 1 51 51 LEU N N 15 124.224 0.01 . 1 . . . . . 457 LEU N . 52142 1 248 . 1 . 1 52 52 GLU H H 1 8.453 0 . 1 . . . . . 458 GLU H . 52142 1 249 . 1 . 1 52 52 GLU C C 13 177.579 0 . 1 . . . . . 458 GLU C . 52142 1 250 . 1 . 1 52 52 GLU CA C 13 59.25 0 . 1 . . . . . 458 GLU CA . 52142 1 251 . 1 . 1 52 52 GLU CB C 13 28.169 0 . 1 . . . . . 458 GLU CB . 52142 1 252 . 1 . 1 52 52 GLU N N 15 120.598 0.02 . 1 . . . . . 458 GLU N . 52142 1 253 . 1 . 1 53 53 ASP H H 1 7.551 0 . 1 . . . . . 459 ASP H . 52142 1 254 . 1 . 1 53 53 ASP C C 13 178.73 0 . 1 . . . . . 459 ASP C . 52142 1 255 . 1 . 1 53 53 ASP CA C 13 57.323 0 . 1 . . . . . 459 ASP CA . 52142 1 256 . 1 . 1 53 53 ASP CB C 13 41.442 0 . 1 . . . . . 459 ASP CB . 52142 1 257 . 1 . 1 53 53 ASP N N 15 118.2 0 . 1 . . . . . 459 ASP N . 52142 1 258 . 1 . 1 54 54 PHE H H 1 8.067 0 . 1 . . . . . 460 PHE H . 52142 1 259 . 1 . 1 54 54 PHE C C 13 177.081 0 . 1 . . . . . 460 PHE C . 52142 1 260 . 1 . 1 54 54 PHE CA C 13 60.347 0 . 1 . . . . . 460 PHE CA . 52142 1 261 . 1 . 1 54 54 PHE CB C 13 38.566 0 . 1 . . . . . 460 PHE CB . 52142 1 262 . 1 . 1 54 54 PHE N N 15 121.641 0 . 1 . . . . . 460 PHE N . 52142 1 263 . 1 . 1 55 55 LEU H H 1 8.825 0 . 1 . . . . . 461 LEU H . 52142 1 264 . 1 . 1 55 55 LEU C C 13 179.581 0 . 1 . . . . . 461 LEU C . 52142 1 265 . 1 . 1 55 55 LEU CA C 13 57.424 0 . 1 . . . . . 461 LEU CA . 52142 1 266 . 1 . 1 55 55 LEU CB C 13 40.687 0 . 1 . . . . . 461 LEU CB . 52142 1 267 . 1 . 1 55 55 LEU N N 15 119.635 0 . 1 . . . . . 461 LEU N . 52142 1 268 . 1 . 1 56 56 TYR H H 1 8.74 0 . 1 . . . . . 462 TYR H . 52142 1 269 . 1 . 1 56 56 TYR C C 13 180.903 0 . 1 . . . . . 462 TYR C . 52142 1 270 . 1 . 1 56 56 TYR CA C 13 60.557 0 . 1 . . . . . 462 TYR CA . 52142 1 271 . 1 . 1 56 56 TYR CB C 13 37.402 0 . 1 . . . . . 462 TYR CB . 52142 1 272 . 1 . 1 56 56 TYR N N 15 121.15 0.01 . 1 . . . . . 462 TYR N . 52142 1 273 . 1 . 1 57 57 HIS H H 1 8.143 0 . 1 . . . . . 463 HIS H . 52142 1 274 . 1 . 1 57 57 HIS C C 13 176.368 0 . 1 . . . . . 463 HIS C . 52142 1 275 . 1 . 1 57 57 HIS CA C 13 59.453 0 . 1 . . . . . 463 HIS CA . 52142 1 276 . 1 . 1 57 57 HIS CB C 13 27.519 0 . 1 . . . . . 463 HIS CB . 52142 1 277 . 1 . 1 57 57 HIS N N 15 119.067 0.02 . 1 . . . . . 463 HIS N . 52142 1 278 . 1 . 1 58 58 GLU H H 1 7.627 0 . 1 . . . . . 464 GLU H . 52142 1 279 . 1 . 1 58 58 GLU C C 13 175.878 0 . 1 . . . . . 464 GLU C . 52142 1 280 . 1 . 1 58 58 GLU CA C 13 55.344 0 . 1 . . . . . 464 GLU CA . 52142 1 281 . 1 . 1 58 58 GLU CB C 13 28.411 0 . 1 . . . . . 464 GLU CB . 52142 1 282 . 1 . 1 58 58 GLU N N 15 118.294 0.01 . 1 . . . . . 464 GLU N . 52142 1 283 . 1 . 1 59 59 GLY H H 1 7.473 0 . 1 . . . . . 465 GLY H . 52142 1 284 . 1 . 1 59 59 GLY C C 13 174.404 0 . 1 . . . . . 465 GLY C . 52142 1 285 . 1 . 1 59 59 GLY CA C 13 45.043 0 . 1 . . . . . 465 GLY CA . 52142 1 286 . 1 . 1 59 59 GLY N N 15 106.713 0 . 1 . . . . . 465 GLY N . 52142 1 287 . 1 . 1 60 60 TYR H H 1 8.101 0 . 1 . . . . . 466 TYR H . 52142 1 288 . 1 . 1 60 60 TYR C C 13 174.681 0 . 1 . . . . . 466 TYR C . 52142 1 289 . 1 . 1 60 60 TYR CA C 13 57.996 0 . 1 . . . . . 466 TYR CA . 52142 1 290 . 1 . 1 60 60 TYR CB C 13 38.421 0 . 1 . . . . . 466 TYR CB . 52142 1 291 . 1 . 1 60 60 TYR N N 15 121.075 0.01 . 1 . . . . . 466 TYR N . 52142 1 292 . 1 . 1 61 61 ALA H H 1 8.369 0 . 1 . . . . . 467 ALA H . 52142 1 293 . 1 . 1 61 61 ALA C C 13 175.372 0 . 1 . . . . . 467 ALA C . 52142 1 294 . 1 . 1 61 61 ALA CA C 13 51.593 0 . 1 . . . . . 467 ALA CA . 52142 1 295 . 1 . 1 61 61 ALA CB C 13 17.78 0 . 1 . . . . . 467 ALA CB . 52142 1 296 . 1 . 1 61 61 ALA N N 15 127.297 0.01 . 1 . . . . . 467 ALA N . 52142 1 297 . 1 . 1 62 62 CYS H H 1 7.852 0 . 1 . . . . . 468 CYS H . 52142 1 298 . 1 . 1 62 62 CYS C C 13 172.765 0 . 1 . . . . . 468 CYS C . 52142 1 299 . 1 . 1 62 62 CYS CA C 13 54.804 0 . 1 . . . . . 468 CYS CA . 52142 1 300 . 1 . 1 62 62 CYS CB C 13 30.997 0 . 1 . . . . . 468 CYS CB . 52142 1 301 . 1 . 1 62 62 CYS N N 15 117.788 0 . 1 . . . . . 468 CYS N . 52142 1 302 . 1 . 1 63 63 THR H H 1 8.457 0 . 1 . . . . . 469 THR H . 52142 1 303 . 1 . 1 63 63 THR C C 13 172.304 0 . 1 . . . . . 469 THR C . 52142 1 304 . 1 . 1 63 63 THR CA C 13 60.149 0 . 1 . . . . . 469 THR CA . 52142 1 305 . 1 . 1 63 63 THR CB C 13 69.464 0 . 1 . . . . . 469 THR CB . 52142 1 306 . 1 . 1 63 63 THR N N 15 116.821 0.01 . 1 . . . . . 469 THR N . 52142 1 307 . 1 . 1 64 64 SER H H 1 8.067 0 . 1 . . . . . 470 SER H . 52142 1 308 . 1 . 1 64 64 SER C C 13 173.518 0 . 1 . . . . . 470 SER C . 52142 1 309 . 1 . 1 64 64 SER CA C 13 56.394 0 . 1 . . . . . 470 SER CA . 52142 1 310 . 1 . 1 64 64 SER CB C 13 66.167 0 . 1 . . . . . 470 SER CB . 52142 1 311 . 1 . 1 64 64 SER N N 15 115.984 0.02 . 1 . . . . . 470 SER N . 52142 1 312 . 1 . 1 65 65 ILE H H 1 8.46 0 . 1 . . . . . 471 ILE H . 52142 1 313 . 1 . 1 65 65 ILE HD11 H 1 0.721 0.01 . 1 . . . . . 471 ILE HD1 . 52142 1 314 . 1 . 1 65 65 ILE HD12 H 1 0.721 0.01 . 1 . . . . . 471 ILE HD1 . 52142 1 315 . 1 . 1 65 65 ILE HD13 H 1 0.721 0.01 . 1 . . . . . 471 ILE HD1 . 52142 1 316 . 1 . 1 65 65 ILE C C 13 172.749 0 . 1 . . . . . 471 ILE C . 52142 1 317 . 1 . 1 65 65 ILE CA C 13 60.507 0 . 1 . . . . . 471 ILE CA . 52142 1 318 . 1 . 1 65 65 ILE CB C 13 40.889 0 . 1 . . . . . 471 ILE CB . 52142 1 319 . 1 . 1 65 65 ILE CD1 C 13 13.661 0.03 . 1 . . . . . 471 ILE CD1 . 52142 1 320 . 1 . 1 65 65 ILE N N 15 116.34 0.01 . 1 . . . . . 471 ILE N . 52142 1 321 . 1 . 1 66 66 HIS C C 13 176.549 0 . 1 . . . . . 472 HIS C . 52142 1 322 . 1 . 1 67 67 GLY H H 1 9.077 0 . 1 . . . . . 473 GLY H . 52142 1 323 . 1 . 1 67 67 GLY C C 13 173.984 0 . 1 . . . . . 473 GLY C . 52142 1 324 . 1 . 1 67 67 GLY CA C 13 45.932 0 . 1 . . . . . 473 GLY CA . 52142 1 325 . 1 . 1 67 67 GLY N N 15 109.899 0.01 . 1 . . . . . 473 GLY N . 52142 1 326 . 1 . 1 68 68 ASP H H 1 9.186 0 . 1 . . . . . 474 ASP H . 52142 1 327 . 1 . 1 68 68 ASP C C 13 176.725 0 . 1 . . . . . 474 ASP C . 52142 1 328 . 1 . 1 68 68 ASP CA C 13 53.587 0 . 1 . . . . . 474 ASP CA . 52142 1 329 . 1 . 1 68 68 ASP CB C 13 40.319 0 . 1 . . . . . 474 ASP CB . 52142 1 330 . 1 . 1 68 68 ASP N N 15 120.812 0 . 1 . . . . . 474 ASP N . 52142 1 331 . 1 . 1 69 69 ARG H H 1 7.395 0 . 1 . . . . . 475 ARG H . 52142 1 332 . 1 . 1 69 69 ARG C C 13 176.714 0 . 1 . . . . . 475 ARG C . 52142 1 333 . 1 . 1 69 69 ARG CA C 13 54.362 0 . 1 . . . . . 475 ARG CA . 52142 1 334 . 1 . 1 69 69 ARG CB C 13 29.73 0 . 1 . . . . . 475 ARG CB . 52142 1 335 . 1 . 1 69 69 ARG N N 15 120.273 0 . 1 . . . . . 475 ARG N . 52142 1 336 . 1 . 1 70 70 SER H H 1 9.156 0 . 1 . . . . . 476 SER H . 52142 1 337 . 1 . 1 70 70 SER C C 13 174.475 0 . 1 . . . . . 476 SER C . 52142 1 338 . 1 . 1 70 70 SER CA C 13 57.274 0 . 1 . . . . . 476 SER CA . 52142 1 339 . 1 . 1 70 70 SER CB C 13 64.12 0 . 1 . . . . . 476 SER CB . 52142 1 340 . 1 . 1 70 70 SER N N 15 120.325 0.01 . 1 . . . . . 476 SER N . 52142 1 341 . 1 . 1 71 71 GLN H H 1 8.841 0 . 1 . . . . . 477 GLN H . 52142 1 342 . 1 . 1 71 71 GLN C C 13 178.22 0 . 1 . . . . . 477 GLN C . 52142 1 343 . 1 . 1 71 71 GLN CA C 13 59.005 0 . 1 . . . . . 477 GLN CA . 52142 1 344 . 1 . 1 71 71 GLN CB C 13 27.039 0 . 1 . . . . . 477 GLN CB . 52142 1 345 . 1 . 1 71 71 GLN N N 15 122.778 0.01 . 1 . . . . . 477 GLN N . 52142 1 346 . 1 . 1 72 72 ARG H H 1 8.384 0 . 1 . . . . . 478 ARG H . 52142 1 347 . 1 . 1 72 72 ARG C C 13 178.649 0 . 1 . . . . . 478 ARG C . 52142 1 348 . 1 . 1 72 72 ARG CA C 13 58.585 0 . 1 . . . . . 478 ARG CA . 52142 1 349 . 1 . 1 72 72 ARG CB C 13 28.891 0 . 1 . . . . . 478 ARG CB . 52142 1 350 . 1 . 1 72 72 ARG N N 15 119.389 0 . 1 . . . . . 478 ARG N . 52142 1 351 . 1 . 1 73 73 ASP H H 1 7.812 0 . 1 . . . . . 479 ASP H . 52142 1 352 . 1 . 1 73 73 ASP C C 13 179.629 0 . 1 . . . . . 479 ASP C . 52142 1 353 . 1 . 1 73 73 ASP CA C 13 56.678 0 . 1 . . . . . 479 ASP CA . 52142 1 354 . 1 . 1 73 73 ASP CB C 13 39.57 0 . 1 . . . . . 479 ASP CB . 52142 1 355 . 1 . 1 73 73 ASP N N 15 121.032 0 . 1 . . . . . 479 ASP N . 52142 1 356 . 1 . 1 74 74 ARG H H 1 8.491 0 . 1 . . . . . 480 ARG H . 52142 1 357 . 1 . 1 74 74 ARG C C 13 177.69 0 . 1 . . . . . 480 ARG C . 52142 1 358 . 1 . 1 74 74 ARG CA C 13 59.464 0 . 1 . . . . . 480 ARG CA . 52142 1 359 . 1 . 1 74 74 ARG CB C 13 29.392 0 . 1 . . . . . 480 ARG CB . 52142 1 360 . 1 . 1 74 74 ARG N N 15 122.871 0.01 . 1 . . . . . 480 ARG N . 52142 1 361 . 1 . 1 75 75 GLU H H 1 8.244 0 . 1 . . . . . 481 GLU H . 52142 1 362 . 1 . 1 75 75 GLU C C 13 179.783 0 . 1 . . . . . 481 GLU C . 52142 1 363 . 1 . 1 75 75 GLU CA C 13 58.83 0.15 . 1 . . . . . 481 GLU CA . 52142 1 364 . 1 . 1 75 75 GLU CB C 13 28.357 0.04 . 1 . . . . . 481 GLU CB . 52142 1 365 . 1 . 1 75 75 GLU N N 15 119.122 0.01 . 1 . . . . . 481 GLU N . 52142 1 366 . 1 . 1 76 76 GLU H H 1 8.143 0.01 . 1 . . . . . 482 GLU H . 52142 1 367 . 1 . 1 76 76 GLU C C 13 178.62 0.01 . 1 . . . . . 482 GLU C . 52142 1 368 . 1 . 1 76 76 GLU CA C 13 58.707 0 . 1 . . . . . 482 GLU CA . 52142 1 369 . 1 . 1 76 76 GLU CB C 13 28.416 0 . 1 . . . . . 482 GLU CB . 52142 1 370 . 1 . 1 76 76 GLU N N 15 121.281 0.02 . 1 . . . . . 482 GLU N . 52142 1 371 . 1 . 1 77 77 ALA H H 1 7.94 0 . 1 . . . . . 483 ALA H . 52142 1 372 . 1 . 1 77 77 ALA C C 13 179.968 0 . 1 . . . . . 483 ALA C . 52142 1 373 . 1 . 1 77 77 ALA CA C 13 54.901 0 . 1 . . . . . 483 ALA CA . 52142 1 374 . 1 . 1 77 77 ALA CB C 13 18.096 0 . 1 . . . . . 483 ALA CB . 52142 1 375 . 1 . 1 77 77 ALA N N 15 123.9 0 . 1 . . . . . 483 ALA N . 52142 1 376 . 1 . 1 78 78 LEU H H 1 8.034 0 . 1 . . . . . 484 LEU H . 52142 1 377 . 1 . 1 78 78 LEU C C 13 179.431 0 . 1 . . . . . 484 LEU C . 52142 1 378 . 1 . 1 78 78 LEU CA C 13 57.078 0 . 1 . . . . . 484 LEU CA . 52142 1 379 . 1 . 1 78 78 LEU CB C 13 40.381 0 . 1 . . . . . 484 LEU CB . 52142 1 380 . 1 . 1 78 78 LEU N N 15 116.812 0.01 . 1 . . . . . 484 LEU N . 52142 1 381 . 1 . 1 79 79 HIS H H 1 8.2 0 . 1 . . . . . 485 HIS H . 52142 1 382 . 1 . 1 79 79 HIS C C 13 178.76 0 . 1 . . . . . 485 HIS C . 52142 1 383 . 1 . 1 79 79 HIS CA C 13 58.844 0 . 1 . . . . . 485 HIS CA . 52142 1 384 . 1 . 1 79 79 HIS CB C 13 28.968 0 . 1 . . . . . 485 HIS CB . 52142 1 385 . 1 . 1 79 79 HIS N N 15 119.567 0.01 . 1 . . . . . 485 HIS N . 52142 1 386 . 1 . 1 80 80 GLN H H 1 8.52 0 . 1 . . . . . 486 GLN H . 52142 1 387 . 1 . 1 80 80 GLN C C 13 177.78 0 . 1 . . . . . 486 GLN C . 52142 1 388 . 1 . 1 80 80 GLN CA C 13 58.599 0 . 1 . . . . . 486 GLN CA . 52142 1 389 . 1 . 1 80 80 GLN CB C 13 27.437 0 . 1 . . . . . 486 GLN CB . 52142 1 390 . 1 . 1 80 80 GLN N N 15 121.007 0.01 . 1 . . . . . 486 GLN N . 52142 1 391 . 1 . 1 81 81 PHE H H 1 8.169 0 . 1 . . . . . 487 PHE H . 52142 1 392 . 1 . 1 81 81 PHE C C 13 177.047 0 . 1 . . . . . 487 PHE C . 52142 1 393 . 1 . 1 81 81 PHE CA C 13 58.637 0 . 1 . . . . . 487 PHE CA . 52142 1 394 . 1 . 1 81 81 PHE CB C 13 39.318 0 . 1 . . . . . 487 PHE CB . 52142 1 395 . 1 . 1 81 81 PHE N N 15 121.892 0.01 . 1 . . . . . 487 PHE N . 52142 1 396 . 1 . 1 82 82 ARG H H 1 8.636 0 . 1 . . . . . 488 ARG H . 52142 1 397 . 1 . 1 82 82 ARG C C 13 178.721 0 . 1 . . . . . 488 ARG C . 52142 1 398 . 1 . 1 82 82 ARG CA C 13 58.514 0 . 1 . . . . . 488 ARG CA . 52142 1 399 . 1 . 1 82 82 ARG CB C 13 29.631 0 . 1 . . . . . 488 ARG CB . 52142 1 400 . 1 . 1 82 82 ARG N N 15 117.245 0.01 . 1 . . . . . 488 ARG N . 52142 1 401 . 1 . 1 83 83 SER H H 1 7.837 0 . 1 . . . . . 489 SER H . 52142 1 402 . 1 . 1 83 83 SER C C 13 175.478 0 . 1 . . . . . 489 SER C . 52142 1 403 . 1 . 1 83 83 SER CA C 13 58.64 0 . 1 . . . . . 489 SER CA . 52142 1 404 . 1 . 1 83 83 SER CB C 13 63.65 0 . 1 . . . . . 489 SER CB . 52142 1 405 . 1 . 1 83 83 SER N N 15 111.226 0 . 1 . . . . . 489 SER N . 52142 1 406 . 1 . 1 84 84 GLY H H 1 7.843 0 . 1 . . . . . 490 GLY H . 52142 1 407 . 1 . 1 84 84 GLY C C 13 173.459 0 . 1 . . . . . 490 GLY C . 52142 1 408 . 1 . 1 84 84 GLY CA C 13 44.843 0 . 1 . . . . . 490 GLY CA . 52142 1 409 . 1 . 1 84 84 GLY N N 15 111.585 0.01 . 1 . . . . . 490 GLY N . 52142 1 410 . 1 . 1 85 85 LYS H H 1 7.733 0 . 1 . . . . . 491 LYS H . 52142 1 411 . 1 . 1 85 85 LYS C C 13 177.869 0 . 1 . . . . . 491 LYS C . 52142 1 412 . 1 . 1 85 85 LYS CA C 13 58.031 0 . 1 . . . . . 491 LYS CA . 52142 1 413 . 1 . 1 85 85 LYS CB C 13 31.679 0 . 1 . . . . . 491 LYS CB . 52142 1 414 . 1 . 1 85 85 LYS N N 15 122.428 0.01 . 1 . . . . . 491 LYS N . 52142 1 415 . 1 . 1 86 86 SER H H 1 7.408 0 . 1 . . . . . 492 SER H . 52142 1 416 . 1 . 1 86 86 SER C C 13 172.213 0 . 1 . . . . . 492 SER C . 52142 1 417 . 1 . 1 86 86 SER CA C 13 53.997 0 . 1 . . . . . 492 SER CA . 52142 1 418 . 1 . 1 86 86 SER CB C 13 63.684 0 . 1 . . . . . 492 SER CB . 52142 1 419 . 1 . 1 86 86 SER N N 15 113.16 0.01 . 1 . . . . . 492 SER N . 52142 1 420 . 1 . 1 87 87 PRO C C 13 174.036 0 . 1 . . . . . 493 PRO C . 52142 1 421 . 1 . 1 87 87 PRO CA C 13 64.234 0 . 1 . . . . . 493 PRO CA . 52142 1 422 . 1 . 1 87 87 PRO CB C 13 31.514 0 . 1 . . . . . 493 PRO CB . 52142 1 423 . 1 . 1 88 88 ILE H H 1 7.054 0 . 1 . . . . . 494 ILE H . 52142 1 424 . 1 . 1 88 88 ILE HD11 H 1 0.921 0.01 . 1 . . . . . 494 ILE HD1 . 52142 1 425 . 1 . 1 88 88 ILE HD12 H 1 0.921 0.01 . 1 . . . . . 494 ILE HD1 . 52142 1 426 . 1 . 1 88 88 ILE HD13 H 1 0.921 0.01 . 1 . . . . . 494 ILE HD1 . 52142 1 427 . 1 . 1 88 88 ILE C C 13 173.358 0 . 1 . . . . . 494 ILE C . 52142 1 428 . 1 . 1 88 88 ILE CA C 13 59.713 0 . 1 . . . . . 494 ILE CA . 52142 1 429 . 1 . 1 88 88 ILE CB C 13 39.633 0 . 1 . . . . . 494 ILE CB . 52142 1 430 . 1 . 1 88 88 ILE CD1 C 13 15.915 0.04 . 1 . . . . . 494 ILE CD1 . 52142 1 431 . 1 . 1 88 88 ILE N N 15 119.497 0.01 . 1 . . . . . 494 ILE N . 52142 1 432 . 1 . 1 89 89 LEU H H 1 8.443 0 . 1 . . . . . 495 LEU H . 52142 1 433 . 1 . 1 89 89 LEU C C 13 174.031 0 . 1 . . . . . 495 LEU C . 52142 1 434 . 1 . 1 89 89 LEU CA C 13 52.189 0 . 1 . . . . . 495 LEU CA . 52142 1 435 . 1 . 1 89 89 LEU CB C 13 42.35 0 . 1 . . . . . 495 LEU CB . 52142 1 436 . 1 . 1 89 89 LEU N N 15 129.864 0 . 1 . . . . . 495 LEU N . 52142 1 437 . 1 . 1 90 90 VAL H H 1 8.584 0 . 1 . . . . . 496 VAL H . 52142 1 438 . 1 . 1 90 90 VAL C C 13 174.19 0 . 1 . . . . . 496 VAL C . 52142 1 439 . 1 . 1 90 90 VAL CA C 13 60.356 0 . 1 . . . . . 496 VAL CA . 52142 1 440 . 1 . 1 90 90 VAL CB C 13 31.551 0 . 1 . . . . . 496 VAL CB . 52142 1 441 . 1 . 1 90 90 VAL N N 15 127.929 0 . 1 . . . . . 496 VAL N . 52142 1 442 . 1 . 1 91 91 ALA H H 1 9.021 0 . 1 . . . . . 497 ALA H . 52142 1 443 . 1 . 1 91 91 ALA C C 13 176.7 0 . 1 . . . . . 497 ALA C . 52142 1 444 . 1 . 1 91 91 ALA CA C 13 49.569 0 . 1 . . . . . 497 ALA CA . 52142 1 445 . 1 . 1 91 91 ALA CB C 13 22.097 0 . 1 . . . . . 497 ALA CB . 52142 1 446 . 1 . 1 91 91 ALA N N 15 129.254 0.01 . 1 . . . . . 497 ALA N . 52142 1 447 . 1 . 1 98 98 GLY C C 13 174.18 0 . 1 . . . . . 504 GLY C . 52142 1 448 . 1 . 1 98 98 GLY CA C 13 44.715 0 . 1 . . . . . 504 GLY CA . 52142 1 449 . 1 . 1 99 99 LEU H H 1 7.385 0 . 1 . . . . . 505 LEU H . 52142 1 450 . 1 . 1 99 99 LEU C C 13 176.402 0 . 1 . . . . . 505 LEU C . 52142 1 451 . 1 . 1 99 99 LEU CA C 13 54.046 0 . 1 . . . . . 505 LEU CA . 52142 1 452 . 1 . 1 99 99 LEU CB C 13 42.252 0 . 1 . . . . . 505 LEU CB . 52142 1 453 . 1 . 1 99 99 LEU N N 15 120.969 0 . 1 . . . . . 505 LEU N . 52142 1 454 . 1 . 1 100 100 ASP H H 1 8.62 0 . 1 . . . . . 506 ASP H . 52142 1 455 . 1 . 1 100 100 ASP C C 13 175.433 0 . 1 . . . . . 506 ASP C . 52142 1 456 . 1 . 1 100 100 ASP CA C 13 53.392 0 . 1 . . . . . 506 ASP CA . 52142 1 457 . 1 . 1 100 100 ASP CB C 13 39.604 0 . 1 . . . . . 506 ASP CB . 52142 1 458 . 1 . 1 100 100 ASP N N 15 124.804 0.01 . 1 . . . . . 506 ASP N . 52142 1 459 . 1 . 1 101 101 ILE H H 1 7.709 0 . 1 . . . . . 507 ILE H . 52142 1 460 . 1 . 1 101 101 ILE HD11 H 1 0.811 0.01 . 1 . . . . . 507 ILE HD1 . 52142 1 461 . 1 . 1 101 101 ILE HD12 H 1 0.811 0.01 . 1 . . . . . 507 ILE HD1 . 52142 1 462 . 1 . 1 101 101 ILE HD13 H 1 0.811 0.01 . 1 . . . . . 507 ILE HD1 . 52142 1 463 . 1 . 1 101 101 ILE C C 13 175.336 0 . 1 . . . . . 507 ILE C . 52142 1 464 . 1 . 1 101 101 ILE CA C 13 60.167 0.03 . 1 . . . . . 507 ILE CA . 52142 1 465 . 1 . 1 101 101 ILE CB C 13 38.567 0.04 . 1 . . . . . 507 ILE CB . 52142 1 466 . 1 . 1 101 101 ILE CD1 C 13 13.878 0 . 1 . . . . . 507 ILE CD1 . 52142 1 467 . 1 . 1 101 101 ILE N N 15 122.488 0.01 . 1 . . . . . 507 ILE N . 52142 1 468 . 1 . 1 102 102 SER H H 1 8.335 0 . 1 . . . . . 508 SER H . 52142 1 469 . 1 . 1 102 102 SER C C 13 173.675 0 . 1 . . . . . 508 SER C . 52142 1 470 . 1 . 1 102 102 SER CA C 13 58.485 0 . 1 . . . . . 508 SER CA . 52142 1 471 . 1 . 1 102 102 SER CB C 13 63.922 0 . 1 . . . . . 508 SER CB . 52142 1 472 . 1 . 1 102 102 SER N N 15 120.048 0.01 . 1 . . . . . 508 SER N . 52142 1 473 . 1 . 1 103 103 ASN H H 1 8.393 0 . 1 . . . . . 509 ASN H . 52142 1 474 . 1 . 1 103 103 ASN C C 13 174.578 0 . 1 . . . . . 509 ASN C . 52142 1 475 . 1 . 1 103 103 ASN CA C 13 53.346 0 . 1 . . . . . 509 ASN CA . 52142 1 476 . 1 . 1 103 103 ASN CB C 13 37.369 0 . 1 . . . . . 509 ASN CB . 52142 1 477 . 1 . 1 103 103 ASN N N 15 116.564 0 . 1 . . . . . 509 ASN N . 52142 1 478 . 1 . 1 104 104 VAL H H 1 8.026 0 . 1 . . . . . 510 VAL H . 52142 1 479 . 1 . 1 104 104 VAL C C 13 175.816 0 . 1 . . . . . 510 VAL C . 52142 1 480 . 1 . 1 104 104 VAL CA C 13 62.364 0 . 1 . . . . . 510 VAL CA . 52142 1 481 . 1 . 1 104 104 VAL CB C 13 31.296 0 . 1 . . . . . 510 VAL CB . 52142 1 482 . 1 . 1 104 104 VAL N N 15 118.614 0.01 . 1 . . . . . 510 VAL N . 52142 1 483 . 1 . 1 105 105 LYS H H 1 8.244 0 . 1 . . . . . 511 LYS H . 52142 1 484 . 1 . 1 105 105 LYS C C 13 175.784 0 . 1 . . . . . 511 LYS C . 52142 1 485 . 1 . 1 105 105 LYS CA C 13 57.005 0 . 1 . . . . . 511 LYS CA . 52142 1 486 . 1 . 1 105 105 LYS CB C 13 32.299 0 . 1 . . . . . 511 LYS CB . 52142 1 487 . 1 . 1 105 105 LYS N N 15 126.981 0 . 1 . . . . . 511 LYS N . 52142 1 488 . 1 . 1 106 106 HIS H H 1 7.593 0 . 1 . . . . . 512 HIS H . 52142 1 489 . 1 . 1 106 106 HIS C C 13 173.846 0 . 1 . . . . . 512 HIS C . 52142 1 490 . 1 . 1 106 106 HIS CA C 13 52.066 0 . 1 . . . . . 512 HIS CA . 52142 1 491 . 1 . 1 106 106 HIS CB C 13 32.441 0 . 1 . . . . . 512 HIS CB . 52142 1 492 . 1 . 1 106 106 HIS N N 15 119.611 0 . 1 . . . . . 512 HIS N . 52142 1 493 . 1 . 1 107 107 VAL H H 1 9.06 0 . 1 . . . . . 513 VAL H . 52142 1 494 . 1 . 1 107 107 VAL C C 13 173.321 0 . 1 . . . . . 513 VAL C . 52142 1 495 . 1 . 1 107 107 VAL CA C 13 60.581 0 . 1 . . . . . 513 VAL CA . 52142 1 496 . 1 . 1 107 107 VAL CB C 13 33.375 0 . 1 . . . . . 513 VAL CB . 52142 1 497 . 1 . 1 107 107 VAL N N 15 127.624 0.01 . 1 . . . . . 513 VAL N . 52142 1 498 . 1 . 1 108 108 ILE H H 1 9.323 0 . 1 . . . . . 514 ILE H . 52142 1 499 . 1 . 1 108 108 ILE HD11 H 1 0.313 0.01 . 1 . . . . . 514 ILE HD1 . 52142 1 500 . 1 . 1 108 108 ILE HD12 H 1 0.313 0.01 . 1 . . . . . 514 ILE HD1 . 52142 1 501 . 1 . 1 108 108 ILE HD13 H 1 0.313 0.01 . 1 . . . . . 514 ILE HD1 . 52142 1 502 . 1 . 1 108 108 ILE C C 13 176.502 0 . 1 . . . . . 514 ILE C . 52142 1 503 . 1 . 1 108 108 ILE CA C 13 58.203 0 . 1 . . . . . 514 ILE CA . 52142 1 504 . 1 . 1 108 108 ILE CB C 13 39.442 0.01 . 1 . . . . . 514 ILE CB . 52142 1 505 . 1 . 1 108 108 ILE CD1 C 13 14.708 0 . 1 . . . . . 514 ILE CD1 . 52142 1 506 . 1 . 1 108 108 ILE N N 15 127.049 0.01 . 1 . . . . . 514 ILE N . 52142 1 507 . 1 . 1 109 109 ASN H H 1 9.126 0 . 1 . . . . . 515 ASN H . 52142 1 508 . 1 . 1 109 109 ASN C C 13 172.236 0 . 1 . . . . . 515 ASN C . 52142 1 509 . 1 . 1 109 109 ASN CA C 13 51.715 0 . 1 . . . . . 515 ASN CA . 52142 1 510 . 1 . 1 109 109 ASN CB C 13 37.414 0 . 1 . . . . . 515 ASN CB . 52142 1 511 . 1 . 1 109 109 ASN N N 15 126.128 0 . 1 . . . . . 515 ASN N . 52142 1 512 . 1 . 1 110 110 PHE H H 1 7.978 0 . 1 . . . . . 516 PHE H . 52142 1 513 . 1 . 1 110 110 PHE C C 13 174.722 0 . 1 . . . . . 516 PHE C . 52142 1 514 . 1 . 1 110 110 PHE CA C 13 59.518 0 . 1 . . . . . 516 PHE CA . 52142 1 515 . 1 . 1 110 110 PHE CB C 13 39.586 0 . 1 . . . . . 516 PHE CB . 52142 1 516 . 1 . 1 110 110 PHE N N 15 129.837 0.01 . 1 . . . . . 516 PHE N . 52142 1 517 . 1 . 1 111 111 ASP H H 1 7.329 0 . 1 . . . . . 517 ASP H . 52142 1 518 . 1 . 1 111 111 ASP C C 13 176.435 0 . 1 . . . . . 517 ASP C . 52142 1 519 . 1 . 1 111 111 ASP CA C 13 52.615 0 . 1 . . . . . 517 ASP CA . 52142 1 520 . 1 . 1 111 111 ASP CB C 13 44.254 0 . 1 . . . . . 517 ASP CB . 52142 1 521 . 1 . 1 111 111 ASP N N 15 110.969 0 . 1 . . . . . 517 ASP N . 52142 1 522 . 1 . 1 112 112 LEU H H 1 8.304 0 . 1 . . . . . 518 LEU H . 52142 1 523 . 1 . 1 112 112 LEU C C 13 174.309 0 . 1 . . . . . 518 LEU C . 52142 1 524 . 1 . 1 112 112 LEU CA C 13 52.684 0 . 1 . . . . . 518 LEU CA . 52142 1 525 . 1 . 1 112 112 LEU CB C 13 41.781 0 . 1 . . . . . 518 LEU CB . 52142 1 526 . 1 . 1 112 112 LEU N N 15 124.443 0.01 . 1 . . . . . 518 LEU N . 52142 1 527 . 1 . 1 113 113 PRO C C 13 175.269 0 . 1 . . . . . 519 PRO C . 52142 1 528 . 1 . 1 113 113 PRO CA C 13 61.444 0 . 1 . . . . . 519 PRO CA . 52142 1 529 . 1 . 1 113 113 PRO CB C 13 31.792 0 . 1 . . . . . 519 PRO CB . 52142 1 530 . 1 . 1 114 114 SER H H 1 8.563 0 . 1 . . . . . 520 SER H . 52142 1 531 . 1 . 1 114 114 SER C C 13 173.014 0 . 1 . . . . . 520 SER C . 52142 1 532 . 1 . 1 114 114 SER CA C 13 58.885 0 . 1 . . . . . 520 SER CA . 52142 1 533 . 1 . 1 114 114 SER CB C 13 63.081 0 . 1 . . . . . 520 SER CB . 52142 1 534 . 1 . 1 114 114 SER N N 15 112.462 0.01 . 1 . . . . . 520 SER N . 52142 1 535 . 1 . 1 115 115 ASP H H 1 7.19 0 . 1 . . . . . 521 ASP H . 52142 1 536 . 1 . 1 115 115 ASP C C 13 176.535 0 . 1 . . . . . 521 ASP C . 52142 1 537 . 1 . 1 115 115 ASP CA C 13 52.124 0 . 1 . . . . . 521 ASP CA . 52142 1 538 . 1 . 1 115 115 ASP CB C 13 43.639 0 . 1 . . . . . 521 ASP CB . 52142 1 539 . 1 . 1 115 115 ASP N N 15 117.741 0.01 . 1 . . . . . 521 ASP N . 52142 1 540 . 1 . 1 116 116 ILE H H 1 9.295 0 . 1 . . . . . 522 ILE H . 52142 1 541 . 1 . 1 116 116 ILE HD11 H 1 0.644 0.01 . 1 . . . . . 522 ILE HD1 . 52142 1 542 . 1 . 1 116 116 ILE HD12 H 1 0.644 0.01 . 1 . . . . . 522 ILE HD1 . 52142 1 543 . 1 . 1 116 116 ILE HD13 H 1 0.644 0.01 . 1 . . . . . 522 ILE HD1 . 52142 1 544 . 1 . 1 116 116 ILE C C 13 176.19 0 . 1 . . . . . 522 ILE C . 52142 1 545 . 1 . 1 116 116 ILE CA C 13 59.028 0.01 . 1 . . . . . 522 ILE CA . 52142 1 546 . 1 . 1 116 116 ILE CB C 13 38.702 0 . 1 . . . . . 522 ILE CB . 52142 1 547 . 1 . 1 116 116 ILE CD1 C 13 13.498 0.01 . 1 . . . . . 522 ILE CD1 . 52142 1 548 . 1 . 1 116 116 ILE N N 15 125.414 0.02 . 1 . . . . . 522 ILE N . 52142 1 549 . 1 . 1 117 117 GLU H H 1 8.672 0 . 1 . . . . . 523 GLU H . 52142 1 550 . 1 . 1 117 117 GLU C C 13 179.485 0 . 1 . . . . . 523 GLU C . 52142 1 551 . 1 . 1 117 117 GLU CA C 13 59.311 0 . 1 . . . . . 523 GLU CA . 52142 1 552 . 1 . 1 117 117 GLU CB C 13 27.761 0 . 1 . . . . . 523 GLU CB . 52142 1 553 . 1 . 1 117 117 GLU N N 15 125.009 0 . 1 . . . . . 523 GLU N . 52142 1 554 . 1 . 1 118 118 GLU H H 1 7.645 0 . 1 . . . . . 524 GLU H . 52142 1 555 . 1 . 1 118 118 GLU C C 13 178.587 0 . 1 . . . . . 524 GLU C . 52142 1 556 . 1 . 1 118 118 GLU CA C 13 57.758 0 . 1 . . . . . 524 GLU CA . 52142 1 557 . 1 . 1 118 118 GLU CB C 13 28.004 0 . 1 . . . . . 524 GLU CB . 52142 1 558 . 1 . 1 118 118 GLU N N 15 119.471 0.01 . 1 . . . . . 524 GLU N . 52142 1 559 . 1 . 1 119 119 TYR H H 1 7.133 0 . 1 . . . . . 525 TYR H . 52142 1 560 . 1 . 1 119 119 TYR C C 13 175.838 0 . 1 . . . . . 525 TYR C . 52142 1 561 . 1 . 1 119 119 TYR CA C 13 62.338 0 . 1 . . . . . 525 TYR CA . 52142 1 562 . 1 . 1 119 119 TYR CB C 13 37.369 0 . 1 . . . . . 525 TYR CB . 52142 1 563 . 1 . 1 119 119 TYR N N 15 120.403 0 . 1 . . . . . 525 TYR N . 52142 1 564 . 1 . 1 120 120 VAL H H 1 8.143 0 . 1 . . . . . 526 VAL H . 52142 1 565 . 1 . 1 120 120 VAL C C 13 178.647 0 . 1 . . . . . 526 VAL C . 52142 1 566 . 1 . 1 120 120 VAL CA C 13 66.149 0 . 1 . . . . . 526 VAL CA . 52142 1 567 . 1 . 1 120 120 VAL CB C 13 31.044 0 . 1 . . . . . 526 VAL CB . 52142 1 568 . 1 . 1 120 120 VAL N N 15 119.312 0.01 . 1 . . . . . 526 VAL N . 52142 1 569 . 1 . 1 121 121 HIS H H 1 7.765 0 . 1 . . . . . 527 HIS H . 52142 1 570 . 1 . 1 121 121 HIS C C 13 178.189 0 . 1 . . . . . 527 HIS C . 52142 1 571 . 1 . 1 121 121 HIS CA C 13 58.867 0 . 1 . . . . . 527 HIS CA . 52142 1 572 . 1 . 1 121 121 HIS CB C 13 29.228 0 . 1 . . . . . 527 HIS CB . 52142 1 573 . 1 . 1 121 121 HIS N N 15 119.429 0.01 . 1 . . . . . 527 HIS N . 52142 1 574 . 1 . 1 122 122 ARG H H 1 7.858 0 . 1 . . . . . 528 ARG H . 52142 1 575 . 1 . 1 122 122 ARG N N 15 118.826 0.01 . 1 . . . . . 528 ARG N . 52142 1 576 . 1 . 1 123 123 ILE HD11 H 1 0.506 0.01 . 1 . . . . . 529 ILE HD1 . 52142 1 577 . 1 . 1 123 123 ILE HD12 H 1 0.506 0.01 . 1 . . . . . 529 ILE HD1 . 52142 1 578 . 1 . 1 123 123 ILE HD13 H 1 0.506 0.01 . 1 . . . . . 529 ILE HD1 . 52142 1 579 . 1 . 1 123 123 ILE C C 13 176.826 0 . 1 . . . . . 529 ILE C . 52142 1 580 . 1 . 1 123 123 ILE CA C 13 63.58 0 . 1 . . . . . 529 ILE CA . 52142 1 581 . 1 . 1 123 123 ILE CB C 13 36.577 0 . 1 . . . . . 529 ILE CB . 52142 1 582 . 1 . 1 123 123 ILE CD1 C 13 13.563 0.02 . 1 . . . . . 529 ILE CD1 . 52142 1 583 . 1 . 1 124 124 GLY H H 1 7.513 0 . 1 . . . . . 530 GLY H . 52142 1 584 . 1 . 1 124 124 GLY C C 13 174.904 0 . 1 . . . . . 530 GLY C . 52142 1 585 . 1 . 1 124 124 GLY CA C 13 45.508 0 . 1 . . . . . 530 GLY CA . 52142 1 586 . 1 . 1 124 124 GLY N N 15 107.061 0.01 . 1 . . . . . 530 GLY N . 52142 1 587 . 1 . 1 125 125 ARG H H 1 7.527 0 . 1 . . . . . 531 ARG H . 52142 1 588 . 1 . 1 125 125 ARG C C 13 175.989 0 . 1 . . . . . 531 ARG C . 52142 1 589 . 1 . 1 125 125 ARG CA C 13 56.068 0 . 1 . . . . . 531 ARG CA . 52142 1 590 . 1 . 1 125 125 ARG CB C 13 29.62 0 . 1 . . . . . 531 ARG CB . 52142 1 591 . 1 . 1 125 125 ARG N N 15 119.243 0 . 1 . . . . . 531 ARG N . 52142 1 592 . 1 . 1 126 126 THR H H 1 7.644 0 . 1 . . . . . 532 THR H . 52142 1 593 . 1 . 1 126 126 THR C C 13 174.357 0 . 1 . . . . . 532 THR C . 52142 1 594 . 1 . 1 126 126 THR CA C 13 60.657 0 . 1 . . . . . 532 THR CA . 52142 1 595 . 1 . 1 126 126 THR CB C 13 69.969 0 . 1 . . . . . 532 THR CB . 52142 1 596 . 1 . 1 126 126 THR N N 15 112.547 0.01 . 1 . . . . . 532 THR N . 52142 1 597 . 1 . 1 127 127 GLY H H 1 8.06 0 . 1 . . . . . 533 GLY H . 52142 1 598 . 1 . 1 127 127 GLY C C 13 174.369 0 . 1 . . . . . 533 GLY C . 52142 1 599 . 1 . 1 127 127 GLY CA C 13 45.457 0 . 1 . . . . . 533 GLY CA . 52142 1 600 . 1 . 1 127 127 GLY N N 15 110.619 0 . 1 . . . . . 533 GLY N . 52142 1 601 . 1 . 1 128 128 ARG H H 1 8.186 0 . 1 . . . . . 534 ARG H . 52142 1 602 . 1 . 1 128 128 ARG C C 13 176.468 0 . 1 . . . . . 534 ARG C . 52142 1 603 . 1 . 1 128 128 ARG CA C 13 55.674 0 . 1 . . . . . 534 ARG CA . 52142 1 604 . 1 . 1 128 128 ARG CB C 13 30.3 0 . 1 . . . . . 534 ARG CB . 52142 1 605 . 1 . 1 128 128 ARG N N 15 120.214 0 . 1 . . . . . 534 ARG N . 52142 1 606 . 1 . 1 129 129 VAL H H 1 8.161 0 . 1 . . . . . 535 VAL H . 52142 1 607 . 1 . 1 129 129 VAL C C 13 176.871 0 . 1 . . . . . 535 VAL C . 52142 1 608 . 1 . 1 129 129 VAL CA C 13 62.387 0 . 1 . . . . . 535 VAL CA . 52142 1 609 . 1 . 1 129 129 VAL CB C 13 31.164 0 . 1 . . . . . 535 VAL CB . 52142 1 610 . 1 . 1 129 129 VAL N N 15 119.836 0.01 . 1 . . . . . 535 VAL N . 52142 1 611 . 1 . 1 130 130 GLY H H 1 8.548 0 . 1 . . . . . 536 GLY H . 52142 1 612 . 1 . 1 130 130 GLY C C 13 174.101 0 . 1 . . . . . 536 GLY C . 52142 1 613 . 1 . 1 130 130 GLY CA C 13 45.233 0 . 1 . . . . . 536 GLY CA . 52142 1 614 . 1 . 1 130 130 GLY N N 15 113.297 0.01 . 1 . . . . . 536 GLY N . 52142 1 615 . 1 . 1 131 131 ASN H H 1 8.197 0 . 1 . . . . . 537 ASN H . 52142 1 616 . 1 . 1 131 131 ASN C C 13 174.497 0 . 1 . . . . . 537 ASN C . 52142 1 617 . 1 . 1 131 131 ASN CA C 13 52.954 0 . 1 . . . . . 537 ASN CA . 52142 1 618 . 1 . 1 131 131 ASN CB C 13 39.052 0 . 1 . . . . . 537 ASN CB . 52142 1 619 . 1 . 1 131 131 ASN N N 15 119.946 0 . 1 . . . . . 537 ASN N . 52142 1 620 . 1 . 1 132 132 LEU H H 1 8.106 0 . 1 . . . . . 538 LEU H . 52142 1 621 . 1 . 1 132 132 LEU C C 13 177.712 0 . 1 . . . . . 538 LEU C . 52142 1 622 . 1 . 1 132 132 LEU CA C 13 55.032 0 . 1 . . . . . 538 LEU CA . 52142 1 623 . 1 . 1 132 132 LEU CB C 13 41.216 0 . 1 . . . . . 538 LEU CB . 52142 1 624 . 1 . 1 132 132 LEU N N 15 122.378 0.02 . 1 . . . . . 538 LEU N . 52142 1 625 . 1 . 1 133 133 GLY H H 1 8.459 0 . 1 . . . . . 539 GLY H . 52142 1 626 . 1 . 1 133 133 GLY C C 13 172.237 0 . 1 . . . . . 539 GLY C . 52142 1 627 . 1 . 1 133 133 GLY CA C 13 44.942 0 . 1 . . . . . 539 GLY CA . 52142 1 628 . 1 . 1 133 133 GLY N N 15 110.817 0 . 1 . . . . . 539 GLY N . 52142 1 629 . 1 . 1 134 134 LEU H H 1 7.913 0 . 1 . . . . . 540 LEU H . 52142 1 630 . 1 . 1 134 134 LEU C C 13 174.057 0 . 1 . . . . . 540 LEU C . 52142 1 631 . 1 . 1 134 134 LEU CA C 13 53.865 0 . 1 . . . . . 540 LEU CA . 52142 1 632 . 1 . 1 134 134 LEU CB C 13 44.753 0 . 1 . . . . . 540 LEU CB . 52142 1 633 . 1 . 1 134 134 LEU N N 15 124.331 0 . 1 . . . . . 540 LEU N . 52142 1 634 . 1 . 1 135 135 ALA H H 1 8.94 0 . 1 . . . . . 541 ALA H . 52142 1 635 . 1 . 1 135 135 ALA C C 13 176.521 0 . 1 . . . . . 541 ALA C . 52142 1 636 . 1 . 1 135 135 ALA CA C 13 49.479 0 . 1 . . . . . 541 ALA CA . 52142 1 637 . 1 . 1 135 135 ALA CB C 13 20.519 0 . 1 . . . . . 541 ALA CB . 52142 1 638 . 1 . 1 135 135 ALA N N 15 127.884 0.01 . 1 . . . . . 541 ALA N . 52142 1 639 . 1 . 1 136 136 THR H H 1 9.367 0 . 1 . . . . . 542 THR H . 52142 1 640 . 1 . 1 136 136 THR C C 13 174.702 0 . 1 . . . . . 542 THR C . 52142 1 641 . 1 . 1 136 136 THR CA C 13 61.958 0 . 1 . . . . . 542 THR CA . 52142 1 642 . 1 . 1 136 136 THR CB C 13 67.942 0 . 1 . . . . . 542 THR CB . 52142 1 643 . 1 . 1 136 136 THR N N 15 125.08 0.01 . 1 . . . . . 542 THR N . 52142 1 644 . 1 . 1 137 137 SER H H 1 9.218 0 . 1 . . . . . 543 SER H . 52142 1 645 . 1 . 1 137 137 SER C C 13 171.043 0 . 1 . . . . . 543 SER C . 52142 1 646 . 1 . 1 137 137 SER CA C 13 57.644 0 . 1 . . . . . 543 SER CA . 52142 1 647 . 1 . 1 137 137 SER CB C 13 64.987 0 . 1 . . . . . 543 SER CB . 52142 1 648 . 1 . 1 137 137 SER N N 15 120.88 0 . 1 . . . . . 543 SER N . 52142 1 649 . 1 . 1 138 138 PHE H H 1 8.115 0 . 1 . . . . . 544 PHE H . 52142 1 650 . 1 . 1 138 138 PHE C C 13 173.136 0 . 1 . . . . . 544 PHE C . 52142 1 651 . 1 . 1 138 138 PHE CA C 13 52.501 0 . 1 . . . . . 544 PHE CA . 52142 1 652 . 1 . 1 138 138 PHE CB C 13 36.56 0 . 1 . . . . . 544 PHE CB . 52142 1 653 . 1 . 1 138 138 PHE N N 15 125.759 0.01 . 1 . . . . . 544 PHE N . 52142 1 654 . 1 . 1 139 139 PHE H H 1 9.105 0 . 1 . . . . . 545 PHE H . 52142 1 655 . 1 . 1 139 139 PHE C C 13 173.345 0 . 1 . . . . . 545 PHE C . 52142 1 656 . 1 . 1 139 139 PHE CA C 13 55.217 0 . 1 . . . . . 545 PHE CA . 52142 1 657 . 1 . 1 139 139 PHE CB C 13 44.587 0 . 1 . . . . . 545 PHE CB . 52142 1 658 . 1 . 1 139 139 PHE N N 15 128.382 0 . 1 . . . . . 545 PHE N . 52142 1 659 . 1 . 1 140 140 ASN H H 1 7.781 0 . 1 . . . . . 546 ASN H . 52142 1 660 . 1 . 1 140 140 ASN C C 13 174.64 0 . 1 . . . . . 546 ASN C . 52142 1 661 . 1 . 1 140 140 ASN CA C 13 52.195 0 . 1 . . . . . 546 ASN CA . 52142 1 662 . 1 . 1 140 140 ASN CB C 13 35.66 0 . 1 . . . . . 546 ASN CB . 52142 1 663 . 1 . 1 140 140 ASN N N 15 122.405 0.01 . 1 . . . . . 546 ASN N . 52142 1 664 . 1 . 1 141 141 GLU H H 1 8.524 0 . 1 . . . . . 547 GLU H . 52142 1 665 . 1 . 1 141 141 GLU C C 13 178.15 0 . 1 . . . . . 547 GLU C . 52142 1 666 . 1 . 1 141 141 GLU CA C 13 59.006 0 . 1 . . . . . 547 GLU CA . 52142 1 667 . 1 . 1 141 141 GLU CB C 13 28.115 0 . 1 . . . . . 547 GLU CB . 52142 1 668 . 1 . 1 141 141 GLU N N 15 118.647 0.01 . 1 . . . . . 547 GLU N . 52142 1 669 . 1 . 1 142 142 ARG H H 1 8.323 0 . 1 . . . . . 548 ARG H . 52142 1 670 . 1 . 1 142 142 ARG C C 13 177.976 0 . 1 . . . . . 548 ARG C . 52142 1 671 . 1 . 1 142 142 ARG CA C 13 58.076 0 . 1 . . . . . 548 ARG CA . 52142 1 672 . 1 . 1 142 142 ARG CB C 13 28.486 0 . 1 . . . . . 548 ARG CB . 52142 1 673 . 1 . 1 142 142 ARG N N 15 119.267 0 . 1 . . . . . 548 ARG N . 52142 1 674 . 1 . 1 143 143 ASN H H 1 8.108 0 . 1 . . . . . 549 ASN H . 52142 1 675 . 1 . 1 143 143 ASN C C 13 173.867 0 . 1 . . . . . 549 ASN C . 52142 1 676 . 1 . 1 143 143 ASN CA C 13 52.884 0 . 1 . . . . . 549 ASN CA . 52142 1 677 . 1 . 1 143 143 ASN CB C 13 39.112 0 . 1 . . . . . 549 ASN CB . 52142 1 678 . 1 . 1 143 143 ASN N N 15 115.94 0.01 . 1 . . . . . 549 ASN N . 52142 1 679 . 1 . 1 144 144 ILE H H 1 6.811 0 . 1 . . . . . 550 ILE H . 52142 1 680 . 1 . 1 144 144 ILE HD11 H 1 1.015 0 . 1 . . . . . 550 ILE HD1 . 52142 1 681 . 1 . 1 144 144 ILE HD12 H 1 1.015 0 . 1 . . . . . 550 ILE HD1 . 52142 1 682 . 1 . 1 144 144 ILE HD13 H 1 1.015 0 . 1 . . . . . 550 ILE HD1 . 52142 1 683 . 1 . 1 144 144 ILE C C 13 177.817 0 . 1 . . . . . 550 ILE C . 52142 1 684 . 1 . 1 144 144 ILE CA C 13 63.424 0.02 . 1 . . . . . 550 ILE CA . 52142 1 685 . 1 . 1 144 144 ILE CB C 13 37.635 0 . 1 . . . . . 550 ILE CB . 52142 1 686 . 1 . 1 144 144 ILE CD1 C 13 13.898 0.02 . 1 . . . . . 550 ILE CD1 . 52142 1 687 . 1 . 1 144 144 ILE N N 15 116.757 0.01 . 1 . . . . . 550 ILE N . 52142 1 688 . 1 . 1 145 145 ASN H H 1 8.78 0 . 1 . . . . . 551 ASN H . 52142 1 689 . 1 . 1 145 145 ASN C C 13 176.747 0 . 1 . . . . . 551 ASN C . 52142 1 690 . 1 . 1 145 145 ASN CA C 13 55.426 0 . 1 . . . . . 551 ASN CA . 52142 1 691 . 1 . 1 145 145 ASN CB C 13 36.656 0 . 1 . . . . . 551 ASN CB . 52142 1 692 . 1 . 1 145 145 ASN N N 15 120.842 0.01 . 1 . . . . . 551 ASN N . 52142 1 693 . 1 . 1 146 146 ILE H H 1 7.777 0 . 1 . . . . . 552 ILE H . 52142 1 694 . 1 . 1 146 146 ILE HD11 H 1 0.704 0.01 . 1 . . . . . 552 ILE HD1 . 52142 1 695 . 1 . 1 146 146 ILE HD12 H 1 0.704 0.01 . 1 . . . . . 552 ILE HD1 . 52142 1 696 . 1 . 1 146 146 ILE HD13 H 1 0.704 0.01 . 1 . . . . . 552 ILE HD1 . 52142 1 697 . 1 . 1 146 146 ILE C C 13 175.398 0 . 1 . . . . . 552 ILE C . 52142 1 698 . 1 . 1 146 146 ILE CA C 13 61.317 0.04 . 1 . . . . . 552 ILE CA . 52142 1 699 . 1 . 1 146 146 ILE CB C 13 39.525 0.05 . 1 . . . . . 552 ILE CB . 52142 1 700 . 1 . 1 146 146 ILE CD1 C 13 13.781 0.02 . 1 . . . . . 552 ILE CD1 . 52142 1 701 . 1 . 1 146 146 ILE N N 15 117.359 0 . 1 . . . . . 552 ILE N . 52142 1 702 . 1 . 1 147 147 THR H H 1 7.56 0 . 1 . . . . . 553 THR H . 52142 1 703 . 1 . 1 147 147 THR C C 13 174.993 0 . 1 . . . . . 553 THR C . 52142 1 704 . 1 . 1 147 147 THR CA C 13 67.755 0 . 1 . . . . . 553 THR CA . 52142 1 705 . 1 . 1 147 147 THR CB C 13 68.853 0 . 1 . . . . . 553 THR CB . 52142 1 706 . 1 . 1 147 147 THR N N 15 117.108 0.01 . 1 . . . . . 553 THR N . 52142 1 707 . 1 . 1 148 148 LYS H H 1 8.034 0 . 1 . . . . . 554 LYS H . 52142 1 708 . 1 . 1 148 148 LYS C C 13 177.457 0 . 1 . . . . . 554 LYS C . 52142 1 709 . 1 . 1 148 148 LYS CA C 13 59.002 0 . 1 . . . . . 554 LYS CA . 52142 1 710 . 1 . 1 148 148 LYS CB C 13 30.962 0 . 1 . . . . . 554 LYS CB . 52142 1 711 . 1 . 1 148 148 LYS N N 15 120.134 0.01 . 1 . . . . . 554 LYS N . 52142 1 712 . 1 . 1 149 149 ASP H H 1 7.964 0 . 1 . . . . . 555 ASP H . 52142 1 713 . 1 . 1 149 149 ASP C C 13 178.886 0 . 1 . . . . . 555 ASP C . 52142 1 714 . 1 . 1 149 149 ASP CA C 13 56.749 0 . 1 . . . . . 555 ASP CA . 52142 1 715 . 1 . 1 149 149 ASP CB C 13 39.809 0 . 1 . . . . . 555 ASP CB . 52142 1 716 . 1 . 1 149 149 ASP N N 15 118.477 0.01 . 1 . . . . . 555 ASP N . 52142 1 717 . 1 . 1 150 150 LEU H H 1 8.603 0 . 1 . . . . . 556 LEU H . 52142 1 718 . 1 . 1 150 150 LEU C C 13 177.155 0 . 1 . . . . . 556 LEU C . 52142 1 719 . 1 . 1 150 150 LEU CA C 13 56.94 0 . 1 . . . . . 556 LEU CA . 52142 1 720 . 1 . 1 150 150 LEU CB C 13 41.4 0 . 1 . . . . . 556 LEU CB . 52142 1 721 . 1 . 1 150 150 LEU N N 15 121.806 0.01 . 1 . . . . . 556 LEU N . 52142 1 722 . 1 . 1 151 151 LEU H H 1 8.213 0 . 1 . . . . . 557 LEU H . 52142 1 723 . 1 . 1 151 151 LEU C C 13 177.681 0 . 1 . . . . . 557 LEU C . 52142 1 724 . 1 . 1 151 151 LEU CA C 13 58.839 0 . 1 . . . . . 557 LEU CA . 52142 1 725 . 1 . 1 151 151 LEU CB C 13 40.68 0 . 1 . . . . . 557 LEU CB . 52142 1 726 . 1 . 1 151 151 LEU N N 15 120.794 0.01 . 1 . . . . . 557 LEU N . 52142 1 727 . 1 . 1 152 152 ASP H H 1 8.184 0 . 1 . . . . . 558 ASP H . 52142 1 728 . 1 . 1 152 152 ASP C C 13 179.094 0 . 1 . . . . . 558 ASP C . 52142 1 729 . 1 . 1 152 152 ASP CA C 13 56.838 0 . 1 . . . . . 558 ASP CA . 52142 1 730 . 1 . 1 152 152 ASP CB C 13 39.262 0 . 1 . . . . . 558 ASP CB . 52142 1 731 . 1 . 1 152 152 ASP N N 15 116.943 0 . 1 . . . . . 558 ASP N . 52142 1 732 . 1 . 1 153 153 LEU H H 1 7.533 0 . 1 . . . . . 559 LEU H . 52142 1 733 . 1 . 1 153 153 LEU C C 13 179.56 0 . 1 . . . . . 559 LEU C . 52142 1 734 . 1 . 1 153 153 LEU CA C 13 58.072 0 . 1 . . . . . 559 LEU CA . 52142 1 735 . 1 . 1 153 153 LEU CB C 13 41.163 0 . 1 . . . . . 559 LEU CB . 52142 1 736 . 1 . 1 153 153 LEU N N 15 122.282 0 . 1 . . . . . 559 LEU N . 52142 1 737 . 1 . 1 154 154 LEU H H 1 8.417 0 . 1 . . . . . 560 LEU H . 52142 1 738 . 1 . 1 154 154 LEU C C 13 179.206 0 . 1 . . . . . 560 LEU C . 52142 1 739 . 1 . 1 154 154 LEU CA C 13 58.135 0 . 1 . . . . . 560 LEU CA . 52142 1 740 . 1 . 1 154 154 LEU CB C 13 40.775 0 . 1 . . . . . 560 LEU CB . 52142 1 741 . 1 . 1 154 154 LEU N N 15 121.014 0 . 1 . . . . . 560 LEU N . 52142 1 742 . 1 . 1 155 155 VAL H H 1 8.34 0 . 1 . . . . . 561 VAL H . 52142 1 743 . 1 . 1 155 155 VAL C C 13 181.589 0 . 1 . . . . . 561 VAL C . 52142 1 744 . 1 . 1 155 155 VAL CA C 13 65.826 0 . 1 . . . . . 561 VAL CA . 52142 1 745 . 1 . 1 155 155 VAL CB C 13 31.306 0 . 1 . . . . . 561 VAL CB . 52142 1 746 . 1 . 1 155 155 VAL N N 15 118.999 0.01 . 1 . . . . . 561 VAL N . 52142 1 747 . 1 . 1 156 156 GLU H H 1 8.169 0 . 1 . . . . . 562 GLU H . 52142 1 748 . 1 . 1 156 156 GLU C C 13 177.651 0 . 1 . . . . . 562 GLU C . 52142 1 749 . 1 . 1 156 156 GLU CA C 13 58.821 0 . 1 . . . . . 562 GLU CA . 52142 1 750 . 1 . 1 156 156 GLU CB C 13 28.501 0 . 1 . . . . . 562 GLU CB . 52142 1 751 . 1 . 1 156 156 GLU N N 15 123.782 0.02 . 1 . . . . . 562 GLU N . 52142 1 752 . 1 . 1 157 157 ALA H H 1 7.979 0 . 1 . . . . . 563 ALA H . 52142 1 753 . 1 . 1 157 157 ALA C C 13 175.989 0 . 1 . . . . . 563 ALA C . 52142 1 754 . 1 . 1 157 157 ALA CA C 13 51.272 0 . 1 . . . . . 563 ALA CA . 52142 1 755 . 1 . 1 157 157 ALA CB C 13 18.025 0 . 1 . . . . . 563 ALA CB . 52142 1 756 . 1 . 1 157 157 ALA N N 15 119.054 0.01 . 1 . . . . . 563 ALA N . 52142 1 757 . 1 . 1 158 158 LYS H H 1 7.972 0 . 1 . . . . . 564 LYS H . 52142 1 758 . 1 . 1 158 158 LYS C C 13 176.334 0 . 1 . . . . . 564 LYS C . 52142 1 759 . 1 . 1 158 158 LYS CA C 13 56.653 0 . 1 . . . . . 564 LYS CA . 52142 1 760 . 1 . 1 158 158 LYS CB C 13 27.74 0 . 1 . . . . . 564 LYS CB . 52142 1 761 . 1 . 1 158 158 LYS N N 15 118.096 0 . 1 . . . . . 564 LYS N . 52142 1 762 . 1 . 1 159 159 GLN H H 1 8.278 0 . 1 . . . . . 565 GLN H . 52142 1 763 . 1 . 1 159 159 GLN C C 13 174.886 0 . 1 . . . . . 565 GLN C . 52142 1 764 . 1 . 1 159 159 GLN CA C 13 52.571 0 . 1 . . . . . 565 GLN CA . 52142 1 765 . 1 . 1 159 159 GLN CB C 13 30.543 0 . 1 . . . . . 565 GLN CB . 52142 1 766 . 1 . 1 159 159 GLN N N 15 116.791 0.01 . 1 . . . . . 565 GLN N . 52142 1 767 . 1 . 1 160 160 GLU H H 1 8.348 0 . 1 . . . . . 566 GLU H . 52142 1 768 . 1 . 1 160 160 GLU C C 13 175.589 0 . 1 . . . . . 566 GLU C . 52142 1 769 . 1 . 1 160 160 GLU CA C 13 56.605 0 . 1 . . . . . 566 GLU CA . 52142 1 770 . 1 . 1 160 160 GLU CB C 13 29.181 0 . 1 . . . . . 566 GLU CB . 52142 1 771 . 1 . 1 160 160 GLU N N 15 120.552 0 . 1 . . . . . 566 GLU N . 52142 1 772 . 1 . 1 161 161 VAL H H 1 8.323 0 . 1 . . . . . 567 VAL H . 52142 1 773 . 1 . 1 161 161 VAL C C 13 174.507 0 . 1 . . . . . 567 VAL C . 52142 1 774 . 1 . 1 161 161 VAL CA C 13 58.577 0 . 1 . . . . . 567 VAL CA . 52142 1 775 . 1 . 1 161 161 VAL CB C 13 32.68 0 . 1 . . . . . 567 VAL CB . 52142 1 776 . 1 . 1 161 161 VAL N N 15 126.463 0.01 . 1 . . . . . 567 VAL N . 52142 1 777 . 1 . 1 162 162 PRO C C 13 178.657 0 . 1 . . . . . 568 PRO C . 52142 1 778 . 1 . 1 162 162 PRO CA C 13 61.532 0 . 1 . . . . . 568 PRO CA . 52142 1 779 . 1 . 1 162 162 PRO CB C 13 31.125 0 . 1 . . . . . 568 PRO CB . 52142 1 780 . 1 . 1 163 163 SER H H 1 8.992 0 . 1 . . . . . 569 SER H . 52142 1 781 . 1 . 1 163 163 SER C C 13 176.452 0 . 1 . . . . . 569 SER C . 52142 1 782 . 1 . 1 163 163 SER CA C 13 61.37 0 . 1 . . . . . 569 SER CA . 52142 1 783 . 1 . 1 163 163 SER N N 15 121.734 0.01 . 1 . . . . . 569 SER N . 52142 1 784 . 1 . 1 164 164 TRP H H 1 7.133 0 . 1 . . . . . 570 TRP H . 52142 1 785 . 1 . 1 164 164 TRP HE1 H 1 10.592 0 . 1 . . . . . 570 TRP HE1 . 52142 1 786 . 1 . 1 164 164 TRP C C 13 177.618 0 . 1 . . . . . 570 TRP C . 52142 1 787 . 1 . 1 164 164 TRP CA C 13 56.879 0 . 1 . . . . . 570 TRP CA . 52142 1 788 . 1 . 1 164 164 TRP CB C 13 27.166 0 . 1 . . . . . 570 TRP CB . 52142 1 789 . 1 . 1 164 164 TRP N N 15 117.184 0.01 . 1 . . . . . 570 TRP N . 52142 1 790 . 1 . 1 164 164 TRP NE1 N 15 131.905 0 . 1 . . . . . 570 TRP NE1 . 52142 1 791 . 1 . 1 165 165 LEU H H 1 6.04 0 . 1 . . . . . 571 LEU H . 52142 1 792 . 1 . 1 165 165 LEU C C 13 177.378 0 . 1 . . . . . 571 LEU C . 52142 1 793 . 1 . 1 165 165 LEU CA C 13 56.918 0 . 1 . . . . . 571 LEU CA . 52142 1 794 . 1 . 1 165 165 LEU CB C 13 39.643 0 . 1 . . . . . 571 LEU CB . 52142 1 795 . 1 . 1 165 165 LEU N N 15 126.634 0.01 . 1 . . . . . 571 LEU N . 52142 1 796 . 1 . 1 166 166 GLU H H 1 6.889 0 . 1 . . . . . 572 GLU H . 52142 1 797 . 1 . 1 166 166 GLU C C 13 178.386 0 . 1 . . . . . 572 GLU C . 52142 1 798 . 1 . 1 166 166 GLU CA C 13 58.932 0 . 1 . . . . . 572 GLU CA . 52142 1 799 . 1 . 1 166 166 GLU CB C 13 28.595 0 . 1 . . . . . 572 GLU CB . 52142 1 800 . 1 . 1 166 166 GLU N N 15 118.618 0.01 . 1 . . . . . 572 GLU N . 52142 1 801 . 1 . 1 167 167 ASN H H 1 7.97 0 . 1 . . . . . 573 ASN H . 52142 1 802 . 1 . 1 167 167 ASN C C 13 177.449 0 . 1 . . . . . 573 ASN C . 52142 1 803 . 1 . 1 167 167 ASN CA C 13 55.387 0 . 1 . . . . . 573 ASN CA . 52142 1 804 . 1 . 1 167 167 ASN CB C 13 37.843 0 . 1 . . . . . 573 ASN CB . 52142 1 805 . 1 . 1 167 167 ASN N N 15 115.521 0.01 . 1 . . . . . 573 ASN N . 52142 1 806 . 1 . 1 168 168 MET H H 1 7.792 0 . 1 . . . . . 574 MET H . 52142 1 807 . 1 . 1 168 168 MET HE1 H 1 2.369 0.01 . 1 . . . . . 574 MET HE . 52142 1 808 . 1 . 1 168 168 MET HE2 H 1 2.369 0.01 . 1 . . . . . 574 MET HE . 52142 1 809 . 1 . 1 168 168 MET HE3 H 1 2.369 0.01 . 1 . . . . . 574 MET HE . 52142 1 810 . 1 . 1 168 168 MET C C 13 177.817 0 . 1 . . . . . 574 MET C . 52142 1 811 . 1 . 1 168 168 MET CA C 13 58.163 0 . 1 . . . . . 574 MET CA . 52142 1 812 . 1 . 1 168 168 MET CB C 13 32.845 0 . 1 . . . . . 574 MET CB . 52142 1 813 . 1 . 1 168 168 MET CE C 13 17.778 0.03 . 1 . . . . . 574 MET CE . 52142 1 814 . 1 . 1 168 168 MET N N 15 119.441 0.01 . 1 . . . . . 574 MET N . 52142 1 815 . 1 . 1 169 169 ALA H H 1 7.908 0 . 1 . . . . . 575 ALA H . 52142 1 816 . 1 . 1 169 169 ALA C C 13 178.487 0 . 1 . . . . . 575 ALA C . 52142 1 817 . 1 . 1 169 169 ALA CA C 13 53.989 0 . 1 . . . . . 575 ALA CA . 52142 1 818 . 1 . 1 169 169 ALA CB C 13 18.193 0 . 1 . . . . . 575 ALA CB . 52142 1 819 . 1 . 1 169 169 ALA N N 15 121.752 0 . 1 . . . . . 575 ALA N . 52142 1 820 . 1 . 1 170 170 TYR H H 1 7.631 0 . 1 . . . . . 576 TYR H . 52142 1 821 . 1 . 1 170 170 TYR C C 13 176.866 0 . 1 . . . . . 576 TYR C . 52142 1 822 . 1 . 1 170 170 TYR CA C 13 58.617 0 . 1 . . . . . 576 TYR CA . 52142 1 823 . 1 . 1 170 170 TYR CB C 13 37.737 0 . 1 . . . . . 576 TYR CB . 52142 1 824 . 1 . 1 170 170 TYR N N 15 117.022 0 . 1 . . . . . 576 TYR N . 52142 1 825 . 1 . 1 171 171 GLU H H 1 8.023 0 . 1 . . . . . 577 GLU H . 52142 1 826 . 1 . 1 171 171 GLU C C 13 176.972 0 . 1 . . . . . 577 GLU C . 52142 1 827 . 1 . 1 171 171 GLU CA C 13 57.006 0 . 1 . . . . . 577 GLU CA . 52142 1 828 . 1 . 1 171 171 GLU CB C 13 29.271 0 . 1 . . . . . 577 GLU CB . 52142 1 829 . 1 . 1 171 171 GLU N N 15 120.141 0.02 . 1 . . . . . 577 GLU N . 52142 1 830 . 1 . 1 172 172 HIS H H 1 8.062 0 . 1 . . . . . 578 HIS H . 52142 1 831 . 1 . 1 172 172 HIS C C 13 175.056 0 . 1 . . . . . 578 HIS C . 52142 1 832 . 1 . 1 172 172 HIS CA C 13 56.277 0 . 1 . . . . . 578 HIS CA . 52142 1 833 . 1 . 1 172 172 HIS CB C 13 29.353 0 . 1 . . . . . 578 HIS CB . 52142 1 834 . 1 . 1 172 172 HIS N N 15 117.891 0.01 . 1 . . . . . 578 HIS N . 52142 1 835 . 1 . 1 173 173 HIS H H 1 8.022 0 . 1 . . . . . 579 HIS H . 52142 1 836 . 1 . 1 173 173 HIS C C 13 174.889 0 . 1 . . . . . 579 HIS C . 52142 1 837 . 1 . 1 173 173 HIS CA C 13 56.076 0 . 1 . . . . . 579 HIS CA . 52142 1 838 . 1 . 1 173 173 HIS CB C 13 29.422 0 . 1 . . . . . 579 HIS CB . 52142 1 839 . 1 . 1 173 173 HIS N N 15 119.017 0.02 . 1 . . . . . 579 HIS N . 52142 1 840 . 1 . 1 174 174 TYR H H 1 8.074 0 . 1 . . . . . 580 TYR H . 52142 1 841 . 1 . 1 174 174 TYR C C 13 175.934 0 . 1 . . . . . 580 TYR C . 52142 1 842 . 1 . 1 174 174 TYR CA C 13 57.832 0 . 1 . . . . . 580 TYR CA . 52142 1 843 . 1 . 1 174 174 TYR CB C 13 37.919 0.03 . 1 . . . . . 580 TYR CB . 52142 1 844 . 1 . 1 174 174 TYR N N 15 121.079 0.02 . 1 . . . . . 580 TYR N . 52142 1 845 . 1 . 1 175 175 LYS H H 1 8.174 0 . 1 . . . . . 581 LYS H . 52142 1 846 . 1 . 1 175 175 LYS C C 13 176.917 0 . 1 . . . . . 581 LYS C . 52142 1 847 . 1 . 1 175 175 LYS CA C 13 56.202 0 . 1 . . . . . 581 LYS CA . 52142 1 848 . 1 . 1 175 175 LYS CB C 13 31.776 0 . 1 . . . . . 581 LYS CB . 52142 1 849 . 1 . 1 175 175 LYS N N 15 123.71 0.01 . 1 . . . . . 581 LYS N . 52142 1 850 . 1 . 1 176 176 GLY H H 1 7.845 0 . 1 . . . . . 582 GLY H . 52142 1 851 . 1 . 1 176 176 GLY C C 13 174.183 0 . 1 . . . . . 582 GLY C . 52142 1 852 . 1 . 1 176 176 GLY CA C 13 44.931 0 . 1 . . . . . 582 GLY CA . 52142 1 853 . 1 . 1 176 176 GLY N N 15 109.999 0 . 1 . . . . . 582 GLY N . 52142 1 854 . 1 . 1 177 177 SER H H 1 8.153 0 . 1 . . . . . 583 SER H . 52142 1 855 . 1 . 1 177 177 SER C C 13 175.01 0 . 1 . . . . . 583 SER C . 52142 1 856 . 1 . 1 177 177 SER CA C 13 58.017 0 . 1 . . . . . 583 SER CA . 52142 1 857 . 1 . 1 177 177 SER CB C 13 63.431 0 . 1 . . . . . 583 SER CB . 52142 1 858 . 1 . 1 177 177 SER N N 15 116.026 0.01 . 1 . . . . . 583 SER N . 52142 1 859 . 1 . 1 178 178 SER H H 1 8.406 0.01 . 1 . . . . . 584 SER H . 52142 1 860 . 1 . 1 178 178 SER C C 13 174.822 0 . 1 . . . . . 584 SER C . 52142 1 861 . 1 . 1 178 178 SER CA C 13 58.286 0 . 1 . . . . . 584 SER CA . 52142 1 862 . 1 . 1 178 178 SER CB C 13 63.032 0 . 1 . . . . . 584 SER CB . 52142 1 863 . 1 . 1 178 178 SER N N 15 118.639 0 . 1 . . . . . 584 SER N . 52142 1 864 . 1 . 1 179 179 ARG H H 1 8.258 0 . 1 . . . . . 585 ARG H . 52142 1 865 . 1 . 1 179 179 ARG C C 13 176.913 0 . 1 . . . . . 585 ARG C . 52142 1 866 . 1 . 1 179 179 ARG CA C 13 56.19 0 . 1 . . . . . 585 ARG CA . 52142 1 867 . 1 . 1 179 179 ARG CB C 13 29.61 0 . 1 . . . . . 585 ARG CB . 52142 1 868 . 1 . 1 179 179 ARG N N 15 123.171 0.01 . 1 . . . . . 585 ARG N . 52142 1 869 . 1 . 1 180 180 GLY H H 1 8.277 0 . 1 . . . . . 586 GLY H . 52142 1 870 . 1 . 1 180 180 GLY C C 13 174.177 0 . 1 . . . . . 586 GLY C . 52142 1 871 . 1 . 1 180 180 GLY CA C 13 44.944 0 . 1 . . . . . 586 GLY CA . 52142 1 872 . 1 . 1 180 180 GLY N N 15 110.151 0 . 1 . . . . . 586 GLY N . 52142 1 873 . 1 . 1 181 181 ARG H H 1 8.086 0 . 1 . . . . . 587 ARG H . 52142 1 874 . 1 . 1 181 181 ARG C C 13 176.642 0 . 1 . . . . . 587 ARG C . 52142 1 875 . 1 . 1 181 181 ARG CA C 13 55.723 0 . 1 . . . . . 587 ARG CA . 52142 1 876 . 1 . 1 181 181 ARG CB C 13 29.785 0 . 1 . . . . . 587 ARG CB . 52142 1 877 . 1 . 1 181 181 ARG N N 15 121.2 0.01 . 1 . . . . . 587 ARG N . 52142 1 878 . 1 . 1 182 182 SER H H 1 8.297 0.01 . 1 . . . . . 588 SER H . 52142 1 879 . 1 . 1 182 182 SER C C 13 174.85 0 . 1 . . . . . 588 SER C . 52142 1 880 . 1 . 1 182 182 SER CA C 13 58.213 0 . 1 . . . . . 588 SER CA . 52142 1 881 . 1 . 1 182 182 SER CB C 13 63.266 0 . 1 . . . . . 588 SER CB . 52142 1 882 . 1 . 1 182 182 SER N N 15 117.589 0.01 . 1 . . . . . 588 SER N . 52142 1 883 . 1 . 1 183 183 LYS H H 1 8.386 0 . 1 . . . . . 589 LYS H . 52142 1 884 . 1 . 1 183 183 LYS C C 13 176.86 0 . 1 . . . . . 589 LYS C . 52142 1 885 . 1 . 1 183 183 LYS CA C 13 56.48 0 . 1 . . . . . 589 LYS CA . 52142 1 886 . 1 . 1 183 183 LYS CB C 13 31.787 0 . 1 . . . . . 589 LYS CB . 52142 1 887 . 1 . 1 183 183 LYS N N 15 123.979 0.01 . 1 . . . . . 589 LYS N . 52142 1 888 . 1 . 1 184 184 SER H H 1 8.225 0 . 1 . . . . . 590 SER H . 52142 1 889 . 1 . 1 184 184 SER C C 13 174.801 0 . 1 . . . . . 590 SER C . 52142 1 890 . 1 . 1 184 184 SER CA C 13 58.17 0 . 1 . . . . . 590 SER CA . 52142 1 891 . 1 . 1 184 184 SER CB C 13 63.209 0 . 1 . . . . . 590 SER CB . 52142 1 892 . 1 . 1 184 184 SER N N 15 116.683 0.01 . 1 . . . . . 590 SER N . 52142 1 893 . 1 . 1 185 185 SER H H 1 8.251 0 . 1 . . . . . 591 SER H . 52142 1 894 . 1 . 1 185 185 SER C C 13 174.753 0 . 1 . . . . . 591 SER C . 52142 1 895 . 1 . 1 185 185 SER CA C 13 58.029 0 . 1 . . . . . 591 SER CA . 52142 1 896 . 1 . 1 185 185 SER CB C 13 63.157 0 . 1 . . . . . 591 SER CB . 52142 1 897 . 1 . 1 185 185 SER N N 15 118.652 0.02 . 1 . . . . . 591 SER N . 52142 1 898 . 1 . 1 186 186 ARG H H 1 8.189 0 . 1 . . . . . 592 ARG H . 52142 1 899 . 1 . 1 186 186 ARG C C 13 176.155 0 . 1 . . . . . 592 ARG C . 52142 1 900 . 1 . 1 186 186 ARG CA C 13 56.386 0 . 1 . . . . . 592 ARG CA . 52142 1 901 . 1 . 1 186 186 ARG CB C 13 29.615 0 . 1 . . . . . 592 ARG CB . 52142 1 902 . 1 . 1 186 186 ARG N N 15 123.151 0.02 . 1 . . . . . 592 ARG N . 52142 1 903 . 1 . 1 187 187 PHE H H 1 8.128 0 . 1 . . . . . 593 PHE H . 52142 1 904 . 1 . 1 187 187 PHE C C 13 175.945 0 . 1 . . . . . 593 PHE C . 52142 1 905 . 1 . 1 187 187 PHE CA C 13 57.238 0 . 1 . . . . . 593 PHE CA . 52142 1 906 . 1 . 1 187 187 PHE CB C 13 38.644 0 . 1 . . . . . 593 PHE CB . 52142 1 907 . 1 . 1 187 187 PHE N N 15 120.871 0 . 1 . . . . . 593 PHE N . 52142 1 908 . 1 . 1 188 188 SER H H 1 8.129 0 . 1 . . . . . 594 SER H . 52142 1 909 . 1 . 1 188 188 SER C C 13 174.867 0 . 1 . . . . . 594 SER C . 52142 1 910 . 1 . 1 188 188 SER CA C 13 57.998 0 . 1 . . . . . 594 SER CA . 52142 1 911 . 1 . 1 188 188 SER CB C 13 63.214 0 . 1 . . . . . 594 SER CB . 52142 1 912 . 1 . 1 188 188 SER N N 15 118.108 0.01 . 1 . . . . . 594 SER N . 52142 1 913 . 1 . 1 189 189 GLY H H 1 7.918 0 . 1 . . . . . 595 GLY H . 52142 1 914 . 1 . 1 189 189 GLY C C 13 174.402 0 . 1 . . . . . 595 GLY C . 52142 1 915 . 1 . 1 189 189 GLY CA C 13 45.039 0 . 1 . . . . . 595 GLY CA . 52142 1 916 . 1 . 1 189 189 GLY N N 15 110.88 0 . 1 . . . . . 595 GLY N . 52142 1 917 . 1 . 1 190 190 GLY H H 1 8.068 0 . 1 . . . . . 596 GLY H . 52142 1 918 . 1 . 1 190 190 GLY C C 13 174.025 0 . 1 . . . . . 596 GLY C . 52142 1 919 . 1 . 1 190 190 GLY CA C 13 44.723 0 . 1 . . . . . 596 GLY CA . 52142 1 920 . 1 . 1 190 190 GLY N N 15 109.124 0 . 1 . . . . . 596 GLY N . 52142 1 921 . 1 . 1 191 191 PHE H H 1 8.123 0 . 1 . . . . . 597 PHE H . 52142 1 922 . 1 . 1 191 191 PHE C C 13 176.491 0 . 1 . . . . . 597 PHE C . 52142 1 923 . 1 . 1 191 191 PHE CA C 13 57.644 0 . 1 . . . . . 597 PHE CA . 52142 1 924 . 1 . 1 191 191 PHE CB C 13 38.667 0 . 1 . . . . . 597 PHE CB . 52142 1 925 . 1 . 1 191 191 PHE N N 15 120.684 0.01 . 1 . . . . . 597 PHE N . 52142 1 926 . 1 . 1 192 192 GLY H H 1 8.327 0 . 1 . . . . . 598 GLY H . 52142 1 927 . 1 . 1 192 192 GLY C C 13 173.885 0 . 1 . . . . . 598 GLY C . 52142 1 928 . 1 . 1 192 192 GLY CA C 13 44.797 0 . 1 . . . . . 598 GLY CA . 52142 1 929 . 1 . 1 192 192 GLY N N 15 111.288 0 . 1 . . . . . 598 GLY N . 52142 1 930 . 1 . 1 193 193 ALA H H 1 7.987 0 . 1 . . . . . 599 ALA H . 52142 1 931 . 1 . 1 193 193 ALA C C 13 177.934 0 . 1 . . . . . 599 ALA C . 52142 1 932 . 1 . 1 193 193 ALA CA C 13 52.193 0.01 . 1 . . . . . 599 ALA CA . 52142 1 933 . 1 . 1 193 193 ALA CB C 13 18.478 0.02 . 1 . . . . . 599 ALA CB . 52142 1 934 . 1 . 1 193 193 ALA N N 15 124.277 0 . 1 . . . . . 599 ALA N . 52142 1 935 . 1 . 1 194 194 ARG H H 1 8.187 0.01 . 1 . . . . . 600 ARG H . 52142 1 936 . 1 . 1 194 194 ARG C C 13 175.84 0 . 1 . . . . . 600 ARG C . 52142 1 937 . 1 . 1 194 194 ARG CA C 13 55.743 0.01 . 1 . . . . . 600 ARG CA . 52142 1 938 . 1 . 1 194 194 ARG CB C 13 29.778 0.01 . 1 . . . . . 600 ARG CB . 52142 1 939 . 1 . 1 194 194 ARG N N 15 120.232 0.01 . 1 . . . . . 600 ARG N . 52142 1 940 . 1 . 1 195 195 ASP H H 1 8.139 0 . 1 . . . . . 601 ASP H . 52142 1 941 . 1 . 1 195 195 ASP C C 13 176.07 0.01 . 1 . . . . . 601 ASP C . 52142 1 942 . 1 . 1 195 195 ASP CA C 13 53.612 0.03 . 1 . . . . . 601 ASP CA . 52142 1 943 . 1 . 1 195 195 ASP CB C 13 40.617 0 . 1 . . . . . 601 ASP CB . 52142 1 944 . 1 . 1 195 195 ASP N N 15 121.264 0.01 . 1 . . . . . 601 ASP N . 52142 1 945 . 1 . 1 196 196 TYR H H 1 8.014 0 . 1 . . . . . 602 TYR H . 52142 1 946 . 1 . 1 196 196 TYR C C 13 175.865 0 . 1 . . . . . 602 TYR C . 52142 1 947 . 1 . 1 196 196 TYR CA C 13 57.949 0 . 1 . . . . . 602 TYR CA . 52142 1 948 . 1 . 1 196 196 TYR CB C 13 37.581 0 . 1 . . . . . 602 TYR CB . 52142 1 949 . 1 . 1 196 196 TYR N N 15 122.019 0 . 1 . . . . . 602 TYR N . 52142 1 950 . 1 . 1 197 197 ARG H H 1 8.043 0 . 1 . . . . . 603 ARG H . 52142 1 951 . 1 . 1 197 197 ARG C C 13 176.201 0 . 1 . . . . . 603 ARG C . 52142 1 952 . 1 . 1 197 197 ARG CA C 13 55.776 0 . 1 . . . . . 603 ARG CA . 52142 1 953 . 1 . 1 197 197 ARG CB C 13 29.728 0 . 1 . . . . . 603 ARG CB . 52142 1 954 . 1 . 1 197 197 ARG N N 15 123.05 0 . 1 . . . . . 603 ARG N . 52142 1 955 . 1 . 1 198 198 GLN H H 1 8.191 0 . 1 . . . . . 604 GLN H . 52142 1 956 . 1 . 1 198 198 GLN C C 13 176.09 0 . 1 . . . . . 604 GLN C . 52142 1 957 . 1 . 1 198 198 GLN CA C 13 55.49 0 . 1 . . . . . 604 GLN CA . 52142 1 958 . 1 . 1 198 198 GLN CB C 13 28.578 0 . 1 . . . . . 604 GLN CB . 52142 1 959 . 1 . 1 198 198 GLN N N 15 121.544 0 . 1 . . . . . 604 GLN N . 52142 1 960 . 1 . 1 199 199 SER H H 1 8.281 0 . 1 . . . . . 605 SER H . 52142 1 961 . 1 . 1 199 199 SER C C 13 174.572 0 . 1 . . . . . 605 SER C . 52142 1 962 . 1 . 1 199 199 SER CA C 13 57.883 0 . 1 . . . . . 605 SER CA . 52142 1 963 . 1 . 1 199 199 SER CB C 13 63.188 0 . 1 . . . . . 605 SER CB . 52142 1 964 . 1 . 1 199 199 SER N N 15 117.635 0.02 . 1 . . . . . 605 SER N . 52142 1 965 . 1 . 1 200 200 SER H H 1 8.303 0 . 1 . . . . . 606 SER H . 52142 1 966 . 1 . 1 200 200 SER C C 13 174.017 0 . 1 . . . . . 606 SER C . 52142 1 967 . 1 . 1 200 200 SER CA C 13 58.015 0 . 1 . . . . . 606 SER CA . 52142 1 968 . 1 . 1 200 200 SER CB C 13 63.432 0 . 1 . . . . . 606 SER CB . 52142 1 969 . 1 . 1 200 200 SER N N 15 118.53 0.01 . 1 . . . . . 606 SER N . 52142 1 970 . 1 . 1 201 201 GLY H H 1 7.989 0 . 1 . . . . . 607 GLY H . 52142 1 971 . 1 . 1 201 201 GLY C C 13 179.073 0 . 1 . . . . . 607 GLY C . 52142 1 972 . 1 . 1 201 201 GLY CA C 13 45.765 0 . 1 . . . . . 607 GLY CA . 52142 1 973 . 1 . 1 201 201 GLY N N 15 117.455 0.01 . 1 . . . . . 607 GLY N . 52142 1 stop_ save_