data_18462 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18462 _Entry.Title ; Solution NMR structure of Kaiso zinc finger DNA binding domain in complex with Kaiso binding site DNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-05-15 _Entry.Accession_date 2012-05-15 _Entry.Last_release_date 2012-05-16 _Entry.Original_release_date 2012-05-16 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 . 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 Bethany Buck-Koehntop . A. . . 18462 2 Robyn Stanfield . L. . . 18462 3 Damian Ekiert . C. . . 18462 4 Maria Martinez-Yamout . A. . . 18462 5 'H. Jane' Dyson . . . . 18462 6 Ian Wilson . A. . . 18462 7 Peter Wright . E. . . 18462 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18462 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'double helix' . 18462 'protein-DNA complex' . 18462 'zinc finger' . 18462 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18462 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 609 18462 '15N chemical shifts' 164 18462 '1H chemical shifts' 1288 18462 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 3 . . 2018-02-06 2012-05-15 update author 'update 119 ARG amide proton chemical shift' 18462 2 . . 2013-02-18 2012-05-15 update BMRB 'update entry citation' 18462 1 . . 2012-09-04 2012-05-15 original author 'original release' 18462 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LT7 'BMRB Entry Tracking System' 18462 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18462 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22949637 _Citation.Full_citation . _Citation.Title ; Molecular basis for recognition of methylated and specific DNA sequences by the zinc finger protein Kaiso. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 109 _Citation.Journal_issue 38 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 15229 _Citation.Page_last 15234 _Citation.Year 2012 _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 Bethany Buck-Koehntop . A. . . 18462 1 2 Robyn Stanfield . L. . . 18462 1 3 Damian Ekiert . C. . . 18462 1 4 Maria Martinez-Yamout . A. . . 18462 1 5 'H. Jane' Dyson . . . . 18462 1 6 Ian Wilson . A. . . 18462 1 7 Peter Wright . E. . . 18462 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18462 _Assembly.ID 1 _Assembly.Name Kaiso _Assembly.BMRB_code . _Assembly.Number_of_components 6 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _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 Kaiso 1 $Kaiso A . yes native no no . . . 18462 1 2 DNA_strand_1 2 $DNA_strand_1 B . yes native no no . . . 18462 1 3 DNA_strand_2 3 $DNA_strand_2 C . yes native no no . . . 18462 1 4 'ZINC ION_1' 4 $entity_ZN D . yes native no no . . . 18462 1 5 'ZINC ION_2' 4 $entity_ZN E . yes native no no . . . 18462 1 6 'ZINC ION_3' 4 $entity_ZN F . yes native no no . . . 18462 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 Kaiso 1 CYS 25 25 SG . 4 'ZINC ION_1' 4 ZN 1 1 ZN . Kaiso . 496 CYS SG . 'ZINC ION_1' . 1 ZN ZN 18462 1 2 coordination single . 1 Kaiso 1 CYS 28 28 SG . 4 'ZINC ION_1' 4 ZN 1 1 ZN . Kaiso . 499 CYS SG . 'ZINC ION_1' . 1 ZN ZN 18462 1 3 coordination single . 1 Kaiso 1 HIS 41 41 ND1 . 4 'ZINC ION_1' 4 ZN 1 1 ZN . Kaiso . 512 HIS ND1 . 'ZINC ION_1' . 1 ZN ZN 18462 1 4 coordination single . 1 Kaiso 1 HIS 45 45 ND1 . 4 'ZINC ION_1' 4 ZN 1 1 ZN . Kaiso . 516 HIS ND1 . 'ZINC ION_1' . 1 ZN ZN 18462 1 5 coordination single . 1 Kaiso 1 CYS 53 53 SG . 5 'ZINC ION_2' 4 ZN 1 1 ZN . Kaiso . 524 CYS SG . 'ZINC ION_2' . 1 ZN ZN 18462 1 6 coordination single . 1 Kaiso 1 CYS 56 56 SG . 5 'ZINC ION_2' 4 ZN 1 1 ZN . Kaiso . 527 CYS SG . 'ZINC ION_2' . 1 ZN ZN 18462 1 7 coordination single . 1 Kaiso 1 HIS 69 69 ND1 . 5 'ZINC ION_2' 4 ZN 1 1 ZN . Kaiso . 540 HIS ND1 . 'ZINC ION_2' . 1 ZN ZN 18462 1 8 coordination single . 1 Kaiso 1 HIS 73 73 ND1 . 5 'ZINC ION_2' 4 ZN 1 1 ZN . Kaiso . 544 HIS ND1 . 'ZINC ION_2' . 1 ZN ZN 18462 1 9 coordination single . 1 Kaiso 1 CYS 81 81 SG . 6 'ZINC ION_3' 4 ZN 1 1 ZN . Kaiso . 552 CYS SG . 'ZINC ION_3' . 1 ZN ZN 18462 1 10 coordination single . 1 Kaiso 1 CYS 84 84 SG . 6 'ZINC ION_3' 4 ZN 1 1 ZN . Kaiso . 555 CYS SG . 'ZINC ION_3' . 1 ZN ZN 18462 1 11 coordination single . 1 Kaiso 1 HIS 97 97 ND1 . 6 'ZINC ION_3' 4 ZN 1 1 ZN . Kaiso . 568 HIS ND1 . 'ZINC ION_3' . 1 ZN ZN 18462 1 12 coordination single . 1 Kaiso 1 HIS 102 102 ND1 . 6 'ZINC ION_3' 4 ZN 1 1 ZN . Kaiso . 573 HIS ND1 . 'ZINC ION_3' . 1 ZN ZN 18462 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Kaiso _Entity.Sf_category entity _Entity.Sf_framecode Kaiso _Entity.Entry_ID 18462 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Kaiso _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ANKRMKVKHDDHYELIVDGR VYYICIVCKRSYVCLTSLRR HFNIHSWEKKYPCRYCEKVF PLAEYRTKHEIHHTGERRYQ CLACGKSFINYQFMSSHIKS VHSQDPSGDSKLYRLHPCRS LQIRQYAYLSDRS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 133 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'other bound and free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'zinc finger DNA binding domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16086.681 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 472 ALA . 18462 1 2 473 ASN . 18462 1 3 474 LYS . 18462 1 4 475 ARG . 18462 1 5 476 MET . 18462 1 6 477 LYS . 18462 1 7 478 VAL . 18462 1 8 479 LYS . 18462 1 9 480 HIS . 18462 1 10 481 ASP . 18462 1 11 482 ASP . 18462 1 12 483 HIS . 18462 1 13 484 TYR . 18462 1 14 485 GLU . 18462 1 15 486 LEU . 18462 1 16 487 ILE . 18462 1 17 488 VAL . 18462 1 18 489 ASP . 18462 1 19 490 GLY . 18462 1 20 491 ARG . 18462 1 21 492 VAL . 18462 1 22 493 TYR . 18462 1 23 494 TYR . 18462 1 24 495 ILE . 18462 1 25 496 CYS . 18462 1 26 497 ILE . 18462 1 27 498 VAL . 18462 1 28 499 CYS . 18462 1 29 500 LYS . 18462 1 30 501 ARG . 18462 1 31 502 SER . 18462 1 32 503 TYR . 18462 1 33 504 VAL . 18462 1 34 505 CYS . 18462 1 35 506 LEU . 18462 1 36 507 THR . 18462 1 37 508 SER . 18462 1 38 509 LEU . 18462 1 39 510 ARG . 18462 1 40 511 ARG . 18462 1 41 512 HIS . 18462 1 42 513 PHE . 18462 1 43 514 ASN . 18462 1 44 515 ILE . 18462 1 45 516 HIS . 18462 1 46 517 SER . 18462 1 47 518 TRP . 18462 1 48 519 GLU . 18462 1 49 520 LYS . 18462 1 50 521 LYS . 18462 1 51 522 TYR . 18462 1 52 523 PRO . 18462 1 53 524 CYS . 18462 1 54 525 ARG . 18462 1 55 526 TYR . 18462 1 56 527 CYS . 18462 1 57 528 GLU . 18462 1 58 529 LYS . 18462 1 59 530 VAL . 18462 1 60 531 PHE . 18462 1 61 532 PRO . 18462 1 62 533 LEU . 18462 1 63 534 ALA . 18462 1 64 535 GLU . 18462 1 65 536 TYR . 18462 1 66 537 ARG . 18462 1 67 538 THR . 18462 1 68 539 LYS . 18462 1 69 540 HIS . 18462 1 70 541 GLU . 18462 1 71 542 ILE . 18462 1 72 543 HIS . 18462 1 73 544 HIS . 18462 1 74 545 THR . 18462 1 75 546 GLY . 18462 1 76 547 GLU . 18462 1 77 548 ARG . 18462 1 78 549 ARG . 18462 1 79 550 TYR . 18462 1 80 551 GLN . 18462 1 81 552 CYS . 18462 1 82 553 LEU . 18462 1 83 554 ALA . 18462 1 84 555 CYS . 18462 1 85 556 GLY . 18462 1 86 557 LYS . 18462 1 87 558 SER . 18462 1 88 559 PHE . 18462 1 89 560 ILE . 18462 1 90 561 ASN . 18462 1 91 562 TYR . 18462 1 92 563 GLN . 18462 1 93 564 PHE . 18462 1 94 565 MET . 18462 1 95 566 SER . 18462 1 96 567 SER . 18462 1 97 568 HIS . 18462 1 98 569 ILE . 18462 1 99 570 LYS . 18462 1 100 571 SER . 18462 1 101 572 VAL . 18462 1 102 573 HIS . 18462 1 103 574 SER . 18462 1 104 575 GLN . 18462 1 105 576 ASP . 18462 1 106 577 PRO . 18462 1 107 578 SER . 18462 1 108 579 GLY . 18462 1 109 580 ASP . 18462 1 110 581 SER . 18462 1 111 582 LYS . 18462 1 112 583 LEU . 18462 1 113 584 TYR . 18462 1 114 585 ARG . 18462 1 115 586 LEU . 18462 1 116 587 HIS . 18462 1 117 588 PRO . 18462 1 118 589 CYS . 18462 1 119 590 ARG . 18462 1 120 591 SER . 18462 1 121 592 LEU . 18462 1 122 593 GLN . 18462 1 123 594 ILE . 18462 1 124 595 ARG . 18462 1 125 596 GLN . 18462 1 126 597 TYR . 18462 1 127 598 ALA . 18462 1 128 599 TYR . 18462 1 129 600 LEU . 18462 1 130 601 SER . 18462 1 131 602 ASP . 18462 1 132 603 ARG . 18462 1 133 604 SER . 18462 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 . ALA 1 1 18462 1 . ASN 2 2 18462 1 . LYS 3 3 18462 1 . ARG 4 4 18462 1 . MET 5 5 18462 1 . LYS 6 6 18462 1 . VAL 7 7 18462 1 . LYS 8 8 18462 1 . HIS 9 9 18462 1 . ASP 10 10 18462 1 . ASP 11 11 18462 1 . HIS 12 12 18462 1 . TYR 13 13 18462 1 . GLU 14 14 18462 1 . LEU 15 15 18462 1 . ILE 16 16 18462 1 . VAL 17 17 18462 1 . ASP 18 18 18462 1 . GLY 19 19 18462 1 . ARG 20 20 18462 1 . VAL 21 21 18462 1 . TYR 22 22 18462 1 . TYR 23 23 18462 1 . ILE 24 24 18462 1 . CYS 25 25 18462 1 . ILE 26 26 18462 1 . VAL 27 27 18462 1 . CYS 28 28 18462 1 . LYS 29 29 18462 1 . ARG 30 30 18462 1 . SER 31 31 18462 1 . TYR 32 32 18462 1 . VAL 33 33 18462 1 . CYS 34 34 18462 1 . LEU 35 35 18462 1 . THR 36 36 18462 1 . SER 37 37 18462 1 . LEU 38 38 18462 1 . ARG 39 39 18462 1 . ARG 40 40 18462 1 . HIS 41 41 18462 1 . PHE 42 42 18462 1 . ASN 43 43 18462 1 . ILE 44 44 18462 1 . HIS 45 45 18462 1 . SER 46 46 18462 1 . TRP 47 47 18462 1 . GLU 48 48 18462 1 . LYS 49 49 18462 1 . LYS 50 50 18462 1 . TYR 51 51 18462 1 . PRO 52 52 18462 1 . CYS 53 53 18462 1 . ARG 54 54 18462 1 . TYR 55 55 18462 1 . CYS 56 56 18462 1 . GLU 57 57 18462 1 . LYS 58 58 18462 1 . VAL 59 59 18462 1 . PHE 60 60 18462 1 . PRO 61 61 18462 1 . LEU 62 62 18462 1 . ALA 63 63 18462 1 . GLU 64 64 18462 1 . TYR 65 65 18462 1 . ARG 66 66 18462 1 . THR 67 67 18462 1 . LYS 68 68 18462 1 . HIS 69 69 18462 1 . GLU 70 70 18462 1 . ILE 71 71 18462 1 . HIS 72 72 18462 1 . HIS 73 73 18462 1 . THR 74 74 18462 1 . GLY 75 75 18462 1 . GLU 76 76 18462 1 . ARG 77 77 18462 1 . ARG 78 78 18462 1 . TYR 79 79 18462 1 . GLN 80 80 18462 1 . CYS 81 81 18462 1 . LEU 82 82 18462 1 . ALA 83 83 18462 1 . CYS 84 84 18462 1 . GLY 85 85 18462 1 . LYS 86 86 18462 1 . SER 87 87 18462 1 . PHE 88 88 18462 1 . ILE 89 89 18462 1 . ASN 90 90 18462 1 . TYR 91 91 18462 1 . GLN 92 92 18462 1 . PHE 93 93 18462 1 . MET 94 94 18462 1 . SER 95 95 18462 1 . SER 96 96 18462 1 . HIS 97 97 18462 1 . ILE 98 98 18462 1 . LYS 99 99 18462 1 . SER 100 100 18462 1 . VAL 101 101 18462 1 . HIS 102 102 18462 1 . SER 103 103 18462 1 . GLN 104 104 18462 1 . ASP 105 105 18462 1 . PRO 106 106 18462 1 . SER 107 107 18462 1 . GLY 108 108 18462 1 . ASP 109 109 18462 1 . SER 110 110 18462 1 . LYS 111 111 18462 1 . LEU 112 112 18462 1 . TYR 113 113 18462 1 . ARG 114 114 18462 1 . LEU 115 115 18462 1 . HIS 116 116 18462 1 . PRO 117 117 18462 1 . CYS 118 118 18462 1 . ARG 119 119 18462 1 . SER 120 120 18462 1 . LEU 121 121 18462 1 . GLN 122 122 18462 1 . ILE 123 123 18462 1 . ARG 124 124 18462 1 . GLN 125 125 18462 1 . TYR 126 126 18462 1 . ALA 127 127 18462 1 . TYR 128 128 18462 1 . LEU 129 129 18462 1 . SER 130 130 18462 1 . ASP 131 131 18462 1 . ARG 132 132 18462 1 . SER 133 133 18462 1 stop_ save_ save_DNA_strand_1 _Entity.Sf_category entity _Entity.Sf_framecode DNA_strand_1 _Entity.Entry_ID 18462 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name DNA_strand_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID D _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GTGCTTCCTGCCAATAACG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers 19 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment '19 base DNA fragment' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5780.795 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 DG . 18462 2 2 2 DT . 18462 2 3 3 DG . 18462 2 4 4 DC . 18462 2 5 5 DT . 18462 2 6 6 DT . 18462 2 7 7 DC . 18462 2 8 8 DC . 18462 2 9 9 DT . 18462 2 10 10 DG . 18462 2 11 11 DC . 18462 2 12 12 DC . 18462 2 13 13 DA . 18462 2 14 14 DA . 18462 2 15 15 DT . 18462 2 16 16 DA . 18462 2 17 17 DA . 18462 2 18 18 DC . 18462 2 19 19 DG . 18462 2 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 . DG 1 1 18462 2 . DT 2 2 18462 2 . DG 3 3 18462 2 . DC 4 4 18462 2 . DT 5 5 18462 2 . DT 6 6 18462 2 . DC 7 7 18462 2 . DC 8 8 18462 2 . DT 9 9 18462 2 . DG 10 10 18462 2 . DC 11 11 18462 2 . DC 12 12 18462 2 . DA 13 13 18462 2 . DA 14 14 18462 2 . DT 15 15 18462 2 . DA 16 16 18462 2 . DA 17 17 18462 2 . DC 18 18 18462 2 . DG 19 19 18462 2 stop_ save_ save_DNA_strand_2 _Entity.Sf_category entity _Entity.Sf_framecode DNA_strand_2 _Entity.Entry_ID 18462 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name DNA_strand_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID E _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; CGTTATTGGCAGGAAGCAC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers 19 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment '19 base DNA fragment' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5869.857 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 20 DC . 18462 3 2 21 DG . 18462 3 3 22 DT . 18462 3 4 23 DT . 18462 3 5 24 DA . 18462 3 6 25 DT . 18462 3 7 26 DT . 18462 3 8 27 DG . 18462 3 9 28 DG . 18462 3 10 29 DC . 18462 3 11 30 DA . 18462 3 12 31 DG . 18462 3 13 32 DG . 18462 3 14 33 DA . 18462 3 15 34 DA . 18462 3 16 35 DG . 18462 3 17 36 DC . 18462 3 18 37 DA . 18462 3 19 38 DC . 18462 3 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 . DC 1 1 18462 3 . DG 2 2 18462 3 . DT 3 3 18462 3 . DT 4 4 18462 3 . DA 5 5 18462 3 . DT 6 6 18462 3 . DT 7 7 18462 3 . DG 8 8 18462 3 . DG 9 9 18462 3 . DC 10 10 18462 3 . DA 11 11 18462 3 . DG 12 12 18462 3 . DG 13 13 18462 3 . DA 14 14 18462 3 . DA 15 15 18462 3 . DG 16 16 18462 3 . DC 17 17 18462 3 . DA 18 18 18462 3 . DC 19 19 18462 3 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 18462 _Entity.ID 4 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 4 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 18462 4 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 18462 4 ZN 'Three letter code' 18462 4 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 ZN $chem_comp_ZN 18462 4 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 18462 4 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18462 _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 $Kaiso . 9606 organism . 'Homo sapiens' Humans . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 18462 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 18462 _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 $Kaiso . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)[DNAY] . . . . . pET21d . . . 18462 1 2 2 $DNA_strand_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . 18462 1 3 3 $DNA_strand_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . 18462 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 18462 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-04-05 _Chem_comp.Modified_date 2012-04-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 18462 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 18462 ZN [Zn++] SMILES CACTVS 3.341 18462 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 18462 ZN [Zn+2] SMILES ACDLabs 10.04 18462 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 18462 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18462 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 18462 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18462 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 18462 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18462 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 Kaiso '[U-13C; U-15N]' . . 1 $Kaiso . . 500 . . uM . . . . 18462 1 2 'Kaiso binding sequence (KBS)' 'natural abundance' . . . . . . 500 . . uM . . . . 18462 1 3 Tris 'natural abundance' . . . . . . 10 . . mM . . . . 18462 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 18462 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18462 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18462 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18462 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 Kaiso '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $Kaiso . . 500 . . uM . . . . 18462 2 2 'Kaiso binding sequence (KBS)' 'natural abundance' . . . . . . 500 . . uM . . . . 18462 2 3 Tris 'natural abundance' . . . . . . 10 . . mM . . . . 18462 2 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 18462 2 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18462 2 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18462 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18462 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Kaiso '[U-13C; U-15N]' . . 1 $Kaiso . . 500 . . uM . . . . 18462 3 2 'Kaiso binding sequence (KBS)' 'natural abundance' . . . . . . 500 . . uM . . . . 18462 3 3 Tris 'natural abundance' . . . . . . 10 . . mM . . . . 18462 3 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 18462 3 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18462 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18462 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 18462 1 pressure 1 . atm 18462 1 temperature 298 . K 18462 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 18462 _Software.ID 1 _Software.Type . _Software.Name AMBER _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 18462 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18462 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18462 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18462 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 18462 2 refinement 18462 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18462 _Software.ID 3 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18462 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18462 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18462 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18462 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18462 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18462 _Software.ID 5 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18462 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 18462 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18462 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18462 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18462 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 18462 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_5 _NMR_spectrometer.Entry_ID 18462 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18462 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 500 . . . 18462 1 2 spectrometer_2 Bruker DMX . 600 . . . 18462 1 3 spectrometer_3 Bruker DMX . 800 . . . 18462 1 4 spectrometer_4 Bruker DMX . 900 . . . 18462 1 5 spectrometer_5 Bruker DRX . 750 . . . 18462 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18462 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18462 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18462 1 3 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18462 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18462 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18462 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18462 1 7 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18462 1 8 '3D HCCH-COSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18462 1 9 '3D CBCGCD' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18462 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18462 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18462 1 12 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18462 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18462 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 18462 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 18462 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 18462 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_KBS _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_KBS _Assigned_chem_shift_list.Entry_ID 18462 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18462 1 2 '2D 1H-13C HSQC' . . . 18462 1 3 '3D HNCO' . . . 18462 1 4 '3D HNCA' . . . 18462 1 5 '3D HNCACB' . . . 18462 1 6 '3D CBCA(CO)NH' . . . 18462 1 7 '3D HN(CO)CA' . . . 18462 1 8 '3D HCCH-COSY' . . . 18462 1 9 '3D CBCGCD' . . . 18462 1 10 '3D 1H-15N NOESY' . . . 18462 1 11 '3D 1H-13C NOESY' . . . 18462 1 12 '2D 1H-1H NOESY' . . . 18462 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 . 2 2 1 1 DG H1' H 1 6.029 0.004 . 1 . . . . D 1 DG H1' . 18462 1 2 . 2 2 1 1 DG H2' H 1 2.645 0.004 . 2 . . . . D 1 DG H2' . 18462 1 3 . 2 2 1 1 DG H2'' H 1 2.805 0.004 . 2 . . . . D 1 DG H2'' . 18462 1 4 . 2 2 1 1 DG H3' H 1 4.828 0.004 . 1 . . . . D 1 DG H3' . 18462 1 5 . 2 2 1 1 DG H4' H 1 4.239 0.004 . 1 . . . . D 1 DG H4' . 18462 1 6 . 2 2 1 1 DG H5' H 1 3.782 0.004 . 2 . . . . D 1 DG H5' . 18462 1 7 . 2 2 1 1 DG H5'' H 1 3.782 0.004 . 2 . . . . D 1 DG H5'' . 18462 1 8 . 2 2 1 1 DG H8 H 1 7.969 0.004 . 1 . . . . D 1 DG H8 . 18462 1 9 . 2 2 2 2 DT H1' H 1 5.927 0.004 . 1 . . . . D 2 DT H1' . 18462 1 10 . 2 2 2 2 DT H2' H 1 2.211 0.004 . 2 . . . . D 2 DT H2' . 18462 1 11 . 2 2 2 2 DT H2'' H 1 2.566 0.004 . 2 . . . . D 2 DT H2'' . 18462 1 12 . 2 2 2 2 DT H3 H 1 10.834 0.004 . 1 . . . . D 2 DT H3 . 18462 1 13 . 2 2 2 2 DT H3' H 1 4.918 0.004 . 1 . . . . D 2 DT H3' . 18462 1 14 . 2 2 2 2 DT H4' H 1 4.272 0.004 . 1 . . . . D 2 DT H4' . 18462 1 15 . 2 2 2 2 DT H5' H 1 4.150 0.004 . 2 . . . . D 2 DT H5' . 18462 1 16 . 2 2 2 2 DT H5'' H 1 4.150 0.004 . 2 . . . . D 2 DT H5'' . 18462 1 17 . 2 2 2 2 DT H6 H 1 7.381 0.004 . 1 . . . . D 2 DT H6 . 18462 1 18 . 2 2 2 2 DT H71 H 1 1.378 0.004 . 1 . . . . D 2 DT H7 . 18462 1 19 . 2 2 2 2 DT H72 H 1 1.378 0.004 . 1 . . . . D 2 DT H7 . 18462 1 20 . 2 2 2 2 DT H73 H 1 1.378 0.004 . 1 . . . . D 2 DT H7 . 18462 1 21 . 2 2 3 3 DG H1 H 1 12.723 0.004 . 1 . . . . D 3 DG H1 . 18462 1 22 . 2 2 3 3 DG H1' H 1 5.993 0.004 . 1 . . . . D 3 DG H1' . 18462 1 23 . 2 2 3 3 DG H2' H 1 2.653 0.004 . 2 . . . . D 3 DG H2' . 18462 1 24 . 2 2 3 3 DG H2'' H 1 2.807 0.004 . 2 . . . . D 3 DG H2'' . 18462 1 25 . 2 2 3 3 DG H3' H 1 5.029 0.004 . 1 . . . . D 3 DG H3' . 18462 1 26 . 2 2 3 3 DG H4' H 1 4.425 0.004 . 1 . . . . D 3 DG H4' . 18462 1 27 . 2 2 3 3 DG H8 H 1 7.885 0.004 . 1 . . . . D 3 DG H8 . 18462 1 28 . 2 2 4 4 DC H1' H 1 6.094 0.004 . 1 . . . . D 4 DC H1' . 18462 1 29 . 2 2 4 4 DC H2' H 1 1.951 0.004 . 2 . . . . D 4 DC H2' . 18462 1 30 . 2 2 4 4 DC H2'' H 1 2.745 0.004 . 2 . . . . D 4 DC H2'' . 18462 1 31 . 2 2 4 4 DC H3' H 1 5.056 0.004 . 1 . . . . D 4 DC H3' . 18462 1 32 . 2 2 4 4 DC H4' H 1 4.344 0.004 . 1 . . . . D 4 DC H4' . 18462 1 33 . 2 2 4 4 DC H5 H 1 5.247 0.004 . 1 . . . . D 4 DC H5 . 18462 1 34 . 2 2 4 4 DC H6 H 1 7.226 0.004 . 1 . . . . D 4 DC H6 . 18462 1 35 . 2 2 4 4 DC H41 H 1 8.095 0.004 . 2 . . . . D 4 DC H41 . 18462 1 36 . 2 2 4 4 DC H42 H 1 6.549 0.004 . 2 . . . . D 4 DC H42 . 18462 1 37 . 2 2 5 5 DT H1' H 1 5.938 0.004 . 1 . . . . D 5 DT H1' . 18462 1 38 . 2 2 5 5 DT H2' H 1 1.980 0.004 . 2 . . . . D 5 DT H2' . 18462 1 39 . 2 2 5 5 DT H3 H 1 14.283 0.004 . 1 . . . . D 5 DT H3 . 18462 1 40 . 2 2 5 5 DT H3' H 1 4.710 0.004 . 1 . . . . D 5 DT H3' . 18462 1 41 . 2 2 5 5 DT H6 H 1 7.186 0.004 . 1 . . . . D 5 DT H6 . 18462 1 42 . 2 2 5 5 DT H71 H 1 1.223 0.004 . 1 . . . . D 5 DT H7 . 18462 1 43 . 2 2 5 5 DT H72 H 1 1.223 0.004 . 1 . . . . D 5 DT H7 . 18462 1 44 . 2 2 5 5 DT H73 H 1 1.223 0.004 . 1 . . . . D 5 DT H7 . 18462 1 45 . 2 2 6 6 DT H1' H 1 6.098 0.004 . 1 . . . . D 6 DT H1' . 18462 1 46 . 2 2 6 6 DT H2' H 1 1.987 0.004 . 2 . . . . D 6 DT H2' . 18462 1 47 . 2 2 6 6 DT H2'' H 1 2.182 0.004 . 2 . . . . D 6 DT H2'' . 18462 1 48 . 2 2 6 6 DT H3 H 1 13.393 0.004 . 1 . . . . D 6 DT H3 . 18462 1 49 . 2 2 6 6 DT H3' H 1 4.889 0.004 . 1 . . . . D 6 DT H3' . 18462 1 50 . 2 2 6 6 DT H6 H 1 7.246 0.004 . 1 . . . . D 6 DT H6 . 18462 1 51 . 2 2 6 6 DT H71 H 1 1.385 0.004 . 1 . . . . D 6 DT H7 . 18462 1 52 . 2 2 6 6 DT H72 H 1 1.385 0.004 . 1 . . . . D 6 DT H7 . 18462 1 53 . 2 2 6 6 DT H73 H 1 1.385 0.004 . 1 . . . . D 6 DT H7 . 18462 1 54 . 2 2 7 7 DC H1' H 1 6.068 0.004 . 1 . . . . D 7 DC H1' . 18462 1 55 . 2 2 7 7 DC H2' H 1 1.505 0.004 . 2 . . . . D 7 DC H2' . 18462 1 56 . 2 2 7 7 DC H2'' H 1 2.737 0.004 . 2 . . . . D 7 DC H2'' . 18462 1 57 . 2 2 7 7 DC H3' H 1 4.932 0.004 . 1 . . . . D 7 DC H3' . 18462 1 58 . 2 2 7 7 DC H4' H 1 4.259 0.004 . 1 . . . . D 7 DC H4' . 18462 1 59 . 2 2 7 7 DC H5 H 1 5.466 0.004 . 1 . . . . D 7 DC H5 . 18462 1 60 . 2 2 7 7 DC H5' H 1 4.092 0.004 . 2 . . . . D 7 DC H5' . 18462 1 61 . 2 2 7 7 DC H5'' H 1 4.152 0.004 . 2 . . . . D 7 DC H5'' . 18462 1 62 . 2 2 7 7 DC H6 H 1 7.273 0.004 . 1 . . . . D 7 DC H6 . 18462 1 63 . 2 2 7 7 DC H41 H 1 8.119 0.004 . 2 . . . . D 7 DC H41 . 18462 1 64 . 2 2 7 7 DC H42 H 1 6.428 0.004 . 2 . . . . D 7 DC H42 . 18462 1 65 . 2 2 8 8 DC H1' H 1 5.873 0.004 . 1 . . . . D 8 DC H1' . 18462 1 66 . 2 2 8 8 DC H2' H 1 1.880 0.004 . 2 . . . . D 8 DC H2' . 18462 1 67 . 2 2 8 8 DC H2'' H 1 2.329 0.004 . 2 . . . . D 8 DC H2'' . 18462 1 68 . 2 2 8 8 DC H3' H 1 5.127 0.004 . 1 . . . . D 8 DC H3' . 18462 1 69 . 2 2 8 8 DC H4' H 1 4.213 0.004 . 1 . . . . D 8 DC H4' . 18462 1 70 . 2 2 8 8 DC H5 H 1 5.490 0.004 . 1 . . . . D 8 DC H5 . 18462 1 71 . 2 2 8 8 DC H6 H 1 7.441 0.004 . 1 . . . . D 8 DC H6 . 18462 1 72 . 2 2 8 8 DC H41 H 1 10.835 0.004 . 2 . . . . D 8 DC H41 . 18462 1 73 . 2 2 8 8 DC H42 H 1 8.653 0.004 . 2 . . . . D 8 DC H42 . 18462 1 74 . 2 2 9 9 DT H3 H 1 13.917 0.004 . 1 . . . . D 9 DT H3 . 18462 1 75 . 2 2 9 9 DT H3' H 1 5.169 0.004 . 1 . . . . D 9 DT H3' . 18462 1 76 . 2 2 9 9 DT H4' H 1 4.229 0.004 . 1 . . . . D 9 DT H4' . 18462 1 77 . 2 2 9 9 DT H6 H 1 7.759 0.004 . 1 . . . . D 9 DT H6 . 18462 1 78 . 2 2 9 9 DT H71 H 1 1.688 0.004 . 1 . . . . D 9 DT H7 . 18462 1 79 . 2 2 9 9 DT H72 H 1 1.688 0.004 . 1 . . . . D 9 DT H7 . 18462 1 80 . 2 2 9 9 DT H73 H 1 1.688 0.004 . 1 . . . . D 9 DT H7 . 18462 1 81 . 2 2 10 10 DG H1 H 1 13.138 0.004 . 1 . . . . D 10 DG H1 . 18462 1 82 . 2 2 10 10 DG H1' H 1 6.088 0.004 . 1 . . . . D 10 DG H1' . 18462 1 83 . 2 2 10 10 DG H2' H 1 2.471 0.004 . 2 . . . . D 10 DG H2' . 18462 1 84 . 2 2 10 10 DG H2'' H 1 2.631 0.004 . 2 . . . . D 10 DG H2'' . 18462 1 85 . 2 2 10 10 DG H3' H 1 4.906 0.004 . 1 . . . . D 10 DG H3' . 18462 1 86 . 2 2 10 10 DG H4' H 1 4.452 0.004 . 1 . . . . D 10 DG H4' . 18462 1 87 . 2 2 10 10 DG H5' H 1 4.100 0.004 . 2 . . . . D 10 DG H5' . 18462 1 88 . 2 2 10 10 DG H5'' H 1 4.165 0.004 . 2 . . . . D 10 DG H5'' . 18462 1 89 . 2 2 10 10 DG H8 H 1 7.990 0.004 . 1 . . . . D 10 DG H8 . 18462 1 90 . 2 2 11 11 DC H1' H 1 5.803 0.004 . 1 . . . . D 11 DC H1' . 18462 1 91 . 2 2 11 11 DC H3' H 1 4.785 0.004 . 1 . . . . D 11 DC H3' . 18462 1 92 . 2 2 11 11 DC H4' H 1 4.006 0.004 . 1 . . . . D 11 DC H4' . 18462 1 93 . 2 2 11 11 DC H5 H 1 5.026 0.004 . 1 . . . . D 11 DC H5 . 18462 1 94 . 2 2 11 11 DC H6 H 1 7.009 0.004 . 1 . . . . D 11 DC H6 . 18462 1 95 . 2 2 11 11 DC H41 H 1 8.183 0.004 . 2 . . . . D 11 DC H41 . 18462 1 96 . 2 2 11 11 DC H42 H 1 6.553 0.004 . 2 . . . . D 11 DC H42 . 18462 1 97 . 2 2 12 12 DC H1' H 1 5.468 0.004 . 1 . . . . D 12 DC H1' . 18462 1 98 . 2 2 12 12 DC H2' H 1 2.171 0.004 . 2 . . . . D 12 DC H2' . 18462 1 99 . 2 2 12 12 DC H2'' H 1 2.253 0.004 . 2 . . . . D 12 DC H2'' . 18462 1 100 . 2 2 12 12 DC H3' H 1 4.703 0.004 . 1 . . . . D 12 DC H3' . 18462 1 101 . 2 2 12 12 DC H5 H 1 5.569 0.004 . 1 . . . . D 12 DC H5 . 18462 1 102 . 2 2 12 12 DC H5' H 1 3.896 0.004 . 2 . . . . D 12 DC H5' . 18462 1 103 . 2 2 12 12 DC H6 H 1 7.512 0.004 . 1 . . . . D 12 DC H6 . 18462 1 104 . 2 2 12 12 DC H41 H 1 8.380 0.004 . 2 . . . . D 12 DC H41 . 18462 1 105 . 2 2 12 12 DC H42 H 1 6.880 0.004 . 2 . . . . D 12 DC H42 . 18462 1 106 . 2 2 13 13 DA H1' H 1 6.240 0.004 . 1 . . . . D 13 DA H1' . 18462 1 107 . 2 2 13 13 DA H2 H 1 7.280 0.004 . 1 . . . . D 13 DA H2 . 18462 1 108 . 2 2 13 13 DA H2' H 1 2.975 0.004 . 2 . . . . D 13 DA H2' . 18462 1 109 . 2 2 13 13 DA H2'' H 1 3.076 0.004 . 2 . . . . D 13 DA H2'' . 18462 1 110 . 2 2 13 13 DA H3' H 1 5.215 0.004 . 1 . . . . D 13 DA H3' . 18462 1 111 . 2 2 13 13 DA H4' H 1 4.420 0.004 . 1 . . . . D 13 DA H4' . 18462 1 112 . 2 2 13 13 DA H5' H 1 3.887 0.004 . 2 . . . . D 13 DA H5' . 18462 1 113 . 2 2 13 13 DA H5'' H 1 4.039 0.004 . 2 . . . . D 13 DA H5'' . 18462 1 114 . 2 2 13 13 DA H8 H 1 8.273 0.004 . 1 . . . . D 13 DA H8 . 18462 1 115 . 2 2 14 14 DA H1' H 1 6.098 0.004 . 1 . . . . D 14 DA H1' . 18462 1 116 . 2 2 14 14 DA H2 H 1 7.514 0.004 . 1 . . . . D 14 DA H2 . 18462 1 117 . 2 2 14 14 DA H2' H 1 2.651 0.004 . 2 . . . . D 14 DA H2' . 18462 1 118 . 2 2 14 14 DA H2'' H 1 2.887 0.004 . 2 . . . . D 14 DA H2'' . 18462 1 119 . 2 2 14 14 DA H3' H 1 5.034 0.004 . 1 . . . . D 14 DA H3' . 18462 1 120 . 2 2 14 14 DA H4' H 1 4.794 0.004 . 1 . . . . D 14 DA H4' . 18462 1 121 . 2 2 14 14 DA H5' H 1 3.976 0.004 . 2 . . . . D 14 DA H5' . 18462 1 122 . 2 2 14 14 DA H8 H 1 8.257 0.004 . 1 . . . . D 14 DA H8 . 18462 1 123 . 2 2 15 15 DT H1' H 1 5.466 0.004 . 1 . . . . D 15 DT H1' . 18462 1 124 . 2 2 15 15 DT H2' H 1 1.931 0.004 . 2 . . . . D 15 DT H2' . 18462 1 125 . 2 2 15 15 DT H2'' H 1 2.366 0.004 . 2 . . . . D 15 DT H2'' . 18462 1 126 . 2 2 15 15 DT H3 H 1 13.069 0.004 . 1 . . . . D 15 DT H3 . 18462 1 127 . 2 2 15 15 DT H3' H 1 4.807 0.004 . 1 . . . . D 15 DT H3' . 18462 1 128 . 2 2 15 15 DT H4' H 1 4.121 0.004 . 1 . . . . D 15 DT H4' . 18462 1 129 . 2 2 15 15 DT H6 H 1 7.008 0.004 . 1 . . . . D 15 DT H6 . 18462 1 130 . 2 2 15 15 DT H71 H 1 1.423 0.004 . 1 . . . . D 15 DT H7 . 18462 1 131 . 2 2 15 15 DT H72 H 1 1.423 0.004 . 1 . . . . D 15 DT H7 . 18462 1 132 . 2 2 15 15 DT H73 H 1 1.423 0.004 . 1 . . . . D 15 DT H7 . 18462 1 133 . 2 2 16 16 DA H1' H 1 5.877 0.004 . 1 . . . . D 16 DA H1' . 18462 1 134 . 2 2 16 16 DA H2 H 1 6.630 0.004 . 1 . . . . D 16 DA H2 . 18462 1 135 . 2 2 16 16 DA H2' H 1 2.682 0.004 . 2 . . . . D 16 DA H2' . 18462 1 136 . 2 2 16 16 DA H2'' H 1 2.897 0.004 . 2 . . . . D 16 DA H2'' . 18462 1 137 . 2 2 16 16 DA H3' H 1 5.041 0.004 . 1 . . . . D 16 DA H3' . 18462 1 138 . 2 2 16 16 DA H4' H 1 4.358 0.004 . 1 . . . . D 16 DA H4' . 18462 1 139 . 2 2 16 16 DA H5' H 1 4.044 0.004 . 2 . . . . D 16 DA H5' . 18462 1 140 . 2 2 16 16 DA H5'' H 1 4.126 0.004 . 2 . . . . D 16 DA H5'' . 18462 1 141 . 2 2 16 16 DA H8 H 1 8.185 0.004 . 1 . . . . D 16 DA H8 . 18462 1 142 . 2 2 17 17 DA H1' H 1 6.069 0.004 . 1 . . . . D 17 DA H1' . 18462 1 143 . 2 2 17 17 DA H2 H 1 7.692 0.004 . 1 . . . . D 17 DA H2 . 18462 1 144 . 2 2 17 17 DA H2' H 1 2.570 0.004 . 2 . . . . D 17 DA H2' . 18462 1 145 . 2 2 17 17 DA H2'' H 1 2.817 0.004 . 2 . . . . D 17 DA H2'' . 18462 1 146 . 2 2 17 17 DA H3' H 1 5.038 0.004 . 1 . . . . D 17 DA H3' . 18462 1 147 . 2 2 17 17 DA H4' H 1 4.388 0.004 . 1 . . . . D 17 DA H4' . 18462 1 148 . 2 2 17 17 DA H5' H 1 4.214 0.004 . 2 . . . . D 17 DA H5' . 18462 1 149 . 2 2 17 17 DA H5'' H 1 4.214 0.004 . 2 . . . . D 17 DA H5'' . 18462 1 150 . 2 2 17 17 DA H8 H 1 8.102 0.004 . 1 . . . . D 17 DA H8 . 18462 1 151 . 2 2 18 18 DC H1' H 1 5.625 0.004 . 1 . . . . D 18 DC H1' . 18462 1 152 . 2 2 18 18 DC H2' H 1 1.815 0.004 . 2 . . . . D 18 DC H2' . 18462 1 153 . 2 2 18 18 DC H2'' H 1 2.267 0.004 . 2 . . . . D 18 DC H2'' . 18462 1 154 . 2 2 18 18 DC H3' H 1 4.774 0.004 . 1 . . . . D 18 DC H3' . 18462 1 155 . 2 2 18 18 DC H4' H 1 4.231 0.004 . 1 . . . . D 18 DC H4' . 18462 1 156 . 2 2 18 18 DC H5 H 1 5.213 0.004 . 1 . . . . D 18 DC H5 . 18462 1 157 . 2 2 18 18 DC H5' H 1 4.110 0.004 . 2 . . . . D 18 DC H5' . 18462 1 158 . 2 2 18 18 DC H5'' H 1 4.110 0.004 . 2 . . . . D 18 DC H5'' . 18462 1 159 . 2 2 18 18 DC H6 H 1 7.186 0.004 . 1 . . . . D 18 DC H6 . 18462 1 160 . 2 2 18 18 DC H41 H 1 8.186 0.004 . 2 . . . . D 18 DC H41 . 18462 1 161 . 2 2 18 18 DC H42 H 1 6.593 0.004 . 2 . . . . D 18 DC H42 . 18462 1 162 . 2 2 19 19 DG H1' H 1 6.157 0.004 . 1 . . . . D 19 DG H1' . 18462 1 163 . 2 2 19 19 DG H2' H 1 2.371 0.004 . 2 . . . . D 19 DG H2' . 18462 1 164 . 2 2 19 19 DG H2'' H 1 2.607 0.004 . 2 . . . . D 19 DG H2'' . 18462 1 165 . 2 2 19 19 DG H3' H 1 4.662 0.004 . 1 . . . . D 19 DG H3' . 18462 1 166 . 2 2 19 19 DG H4' H 1 4.180 0.004 . 1 . . . . D 19 DG H4' . 18462 1 167 . 2 2 19 19 DG H5' H 1 4.067 0.004 . 2 . . . . D 19 DG H5' . 18462 1 168 . 2 2 19 19 DG H5'' H 1 4.067 0.004 . 2 . . . . D 19 DG H5'' . 18462 1 169 . 2 2 19 19 DG H8 H 1 7.887 0.004 . 1 . . . . D 19 DG H8 . 18462 1 170 . 3 3 1 1 DC H1' H 1 5.796 0.004 . 1 . . . . E 20 C H1' . 18462 1 171 . 3 3 1 1 DC H2' H 1 2.024 0.004 . 2 . . . . E 20 C H2' . 18462 1 172 . 3 3 1 1 DC H2'' H 1 2.461 0.004 . 2 . . . . E 20 C H2'' . 18462 1 173 . 3 3 1 1 DC H3' H 1 4.726 0.004 . 1 . . . . E 20 C H3' . 18462 1 174 . 3 3 1 1 DC H4' H 1 4.090 0.004 . 1 . . . . E 20 C H4' . 18462 1 175 . 3 3 1 1 DC H5 H 1 5.929 0.004 . 1 . . . . E 20 C H5 . 18462 1 176 . 3 3 1 1 DC H5' H 1 3.745 0.004 . 2 . . . . E 20 C H5' . 18462 1 177 . 3 3 1 1 DC H5'' H 1 3.745 0.004 . 2 . . . . E 20 C H5'' . 18462 1 178 . 3 3 1 1 DC H6 H 1 7.673 0.004 . 1 . . . . E 20 C H6 . 18462 1 179 . 3 3 2 2 DG H1 H 1 12.857 0.004 . 1 . . . . E 21 G H1 . 18462 1 180 . 3 3 2 2 DG H1' H 1 6.063 0.004 . 1 . . . . E 21 G H1' . 18462 1 181 . 3 3 2 2 DG H2' H 1 2.725 0.004 . 2 . . . . E 21 G H2' . 18462 1 182 . 3 3 2 2 DG H2'' H 1 2.854 0.004 . 2 . . . . E 21 G H2'' . 18462 1 183 . 3 3 2 2 DG H3' H 1 5.014 0.004 . 1 . . . . E 21 G H3' . 18462 1 184 . 3 3 2 2 DG H4' H 1 4.408 0.004 . 1 . . . . E 21 G H4' . 18462 1 185 . 3 3 2 2 DG H5' H 1 4.039 0.004 . 2 . . . . E 21 G H5' . 18462 1 186 . 3 3 2 2 DG H5'' H 1 4.132 0.004 . 2 . . . . E 21 G H5'' . 18462 1 187 . 3 3 2 2 DG H8 H 1 8.021 0.004 . 1 . . . . E 21 G H8 . 18462 1 188 . 3 3 3 3 DT H1' H 1 6.077 0.004 . 1 . . . . E 22 T H1' . 18462 1 189 . 3 3 3 3 DT H2' H 1 2.149 0.004 . 2 . . . . E 22 T H2' . 18462 1 190 . 3 3 3 3 DT H2'' H 1 2.615 0.004 . 2 . . . . E 22 T H2'' . 18462 1 191 . 3 3 3 3 DT H3 H 1 13.972 0.004 . 1 . . . . E 22 T H3 . 18462 1 192 . 3 3 3 3 DT H3' H 1 4.876 0.004 . 1 . . . . E 22 T H3' . 18462 1 193 . 3 3 3 3 DT H4' H 1 4.294 0.004 . 1 . . . . E 22 T H4' . 18462 1 194 . 3 3 3 3 DT H5' H 1 4.140 0.004 . 2 . . . . E 22 T H5' . 18462 1 195 . 3 3 3 3 DT H5'' H 1 4.140 0.004 . 2 . . . . E 22 T H5'' . 18462 1 196 . 3 3 3 3 DT H6 H 1 7.328 0.004 . 1 . . . . E 22 T H6 . 18462 1 197 . 3 3 3 3 DT H71 H 1 1.478 0.004 . 1 . . . . E 22 T H7 . 18462 1 198 . 3 3 3 3 DT H72 H 1 1.478 0.004 . 1 . . . . E 22 T H7 . 18462 1 199 . 3 3 3 3 DT H73 H 1 1.478 0.004 . 1 . . . . E 22 T H7 . 18462 1 200 . 3 3 4 4 DT H1' H 1 5.808 0.004 . 1 . . . . E 23 T H1' . 18462 1 201 . 3 3 4 4 DT H2' H 1 2.334 0.004 . 2 . . . . E 23 T H2' . 18462 1 202 . 3 3 4 4 DT H2'' H 1 2.616 0.004 . 2 . . . . E 23 T H2'' . 18462 1 203 . 3 3 4 4 DT H3 H 1 13.604 0.004 . 1 . . . . E 23 T H3 . 18462 1 204 . 3 3 4 4 DT H3' H 1 4.945 0.004 . 1 . . . . E 23 T H3' . 18462 1 205 . 3 3 4 4 DT H4' H 1 4.288 0.004 . 1 . . . . E 23 T H4' . 18462 1 206 . 3 3 4 4 DT H5' H 1 4.136 0.004 . 2 . . . . E 23 T H5' . 18462 1 207 . 3 3 4 4 DT H5'' H 1 4.200 0.004 . 2 . . . . E 23 T H5'' . 18462 1 208 . 3 3 4 4 DT H6 H 1 7.493 0.004 . 1 . . . . E 23 T H6 . 18462 1 209 . 3 3 4 4 DT H71 H 1 1.700 0.004 . 1 . . . . E 23 T H7 . 18462 1 210 . 3 3 4 4 DT H72 H 1 1.700 0.004 . 1 . . . . E 23 T H7 . 18462 1 211 . 3 3 4 4 DT H73 H 1 1.700 0.004 . 1 . . . . E 23 T H7 . 18462 1 212 . 3 3 5 5 DA H1' H 1 6.241 0.004 . 1 . . . . E 24 A H1' . 18462 1 213 . 3 3 5 5 DA H2 H 1 7.099 0.004 . 1 . . . . E 24 A H2 . 18462 1 214 . 3 3 5 5 DA H2' H 1 2.680 0.004 . 2 . . . . E 24 A H2' . 18462 1 215 . 3 3 5 5 DA H2'' H 1 2.984 0.004 . 2 . . . . E 24 A H2'' . 18462 1 216 . 3 3 5 5 DA H3' H 1 5.022 0.004 . 1 . . . . E 24 A H3' . 18462 1 217 . 3 3 5 5 DA H4' H 1 4.351 0.004 . 1 . . . . E 24 A H4' . 18462 1 218 . 3 3 5 5 DA H5' H 1 4.175 0.004 . 2 . . . . E 24 A H5' . 18462 1 219 . 3 3 5 5 DA H5'' H 1 4.200 0.004 . 2 . . . . E 24 A H5'' . 18462 1 220 . 3 3 5 5 DA H8 H 1 8.317 0.004 . 1 . . . . E 24 A H8 . 18462 1 221 . 3 3 6 6 DT H1' H 1 5.945 0.004 . 1 . . . . E 25 T H1' . 18462 1 222 . 3 3 6 6 DT H2' H 1 1.909 0.004 . 2 . . . . E 25 T H2' . 18462 1 223 . 3 3 6 6 DT H2'' H 1 2.524 0.004 . 2 . . . . E 25 T H2'' . 18462 1 224 . 3 3 6 6 DT H3 H 1 13.544 0.004 . 1 . . . . E 25 T H3 . 18462 1 225 . 3 3 6 6 DT H3' H 1 4.827 0.004 . 1 . . . . E 25 T H3' . 18462 1 226 . 3 3 6 6 DT H4' H 1 4.202 0.004 . 1 . . . . E 25 T H4' . 18462 1 227 . 3 3 6 6 DT H6 H 1 7.153 0.004 . 1 . . . . E 25 T H6 . 18462 1 228 . 3 3 6 6 DT H71 H 1 1.238 0.004 . 1 . . . . E 25 T H7 . 18462 1 229 . 3 3 6 6 DT H72 H 1 1.238 0.004 . 1 . . . . E 25 T H7 . 18462 1 230 . 3 3 6 6 DT H73 H 1 1.238 0.004 . 1 . . . . E 25 T H7 . 18462 1 231 . 3 3 7 7 DT H1' H 1 5.923 0.004 . 1 . . . . E 26 T H1' . 18462 1 232 . 3 3 7 7 DT H2' H 1 1.727 0.004 . 2 . . . . E 26 T H2' . 18462 1 233 . 3 3 7 7 DT H2'' H 1 2.337 0.004 . 2 . . . . E 26 T H2'' . 18462 1 234 . 3 3 7 7 DT H3 H 1 14.134 0.004 . 1 . . . . E 26 T H3 . 18462 1 235 . 3 3 7 7 DT H3' H 1 4.902 0.004 . 1 . . . . E 26 T H3' . 18462 1 236 . 3 3 7 7 DT H4' H 1 4.062 0.004 . 1 . . . . E 26 T H4' . 18462 1 237 . 3 3 7 7 DT H6 H 1 6.861 0.004 . 1 . . . . E 26 T H6 . 18462 1 238 . 3 3 7 7 DT H71 H 1 1.514 0.004 . 1 . . . . E 26 T H7 . 18462 1 239 . 3 3 7 7 DT H72 H 1 1.514 0.004 . 1 . . . . E 26 T H7 . 18462 1 240 . 3 3 7 7 DT H73 H 1 1.514 0.004 . 1 . . . . E 26 T H7 . 18462 1 241 . 3 3 8 8 DG H1 H 1 12.952 0.004 . 1 . . . . E 27 G H1 . 18462 1 242 . 3 3 8 8 DG H1' H 1 5.236 0.004 . 1 . . . . E 27 G H1' . 18462 1 243 . 3 3 8 8 DG H2' H 1 2.425 0.004 . 2 . . . . E 27 G H2' . 18462 1 244 . 3 3 8 8 DG H2'' H 1 2.670 0.004 . 2 . . . . E 27 G H2'' . 18462 1 245 . 3 3 8 8 DG H3' H 1 4.677 0.004 . 1 . . . . E 27 G H3' . 18462 1 246 . 3 3 8 8 DG H4' H 1 4.063 0.004 . 1 . . . . E 27 G H4' . 18462 1 247 . 3 3 8 8 DG H8 H 1 7.966 0.004 . 1 . . . . E 27 G H8 . 18462 1 248 . 3 3 9 9 DG H1 H 1 12.851 0.004 . 1 . . . . E 28 G H1 . 18462 1 249 . 3 3 9 9 DG H1' H 1 6.191 0.004 . 1 . . . . E 28 G H1' . 18462 1 250 . 3 3 9 9 DG H2'' H 1 2.529 0.004 . 2 . . . . E 28 G H2'' . 18462 1 251 . 3 3 9 9 DG H3' H 1 5.219 0.004 . 1 . . . . E 28 G H3' . 18462 1 252 . 3 3 9 9 DG H4' H 1 4.423 0.004 . 1 . . . . E 28 G H4' . 18462 1 253 . 3 3 9 9 DG H5' H 1 3.960 0.004 . 2 . . . . E 28 G H5' . 18462 1 254 . 3 3 9 9 DG H5'' H 1 4.049 0.004 . 2 . . . . E 28 G H5'' . 18462 1 255 . 3 3 9 9 DG H8 H 1 7.764 0.004 . 1 . . . . E 28 G H8 . 18462 1 256 . 3 3 10 10 DC H1' H 1 5.568 0.004 . 1 . . . . E 29 C H1' . 18462 1 257 . 3 3 10 10 DC H2' H 1 1.692 0.004 . 2 . . . . E 29 C H2' . 18462 1 258 . 3 3 10 10 DC H2'' H 1 2.129 0.004 . 2 . . . . E 29 C H2'' . 18462 1 259 . 3 3 10 10 DC H3' H 1 4.785 0.004 . 1 . . . . E 29 C H3' . 18462 1 260 . 3 3 10 10 DC H4' H 1 4.358 0.004 . 1 . . . . E 29 C H4' . 18462 1 261 . 3 3 10 10 DC H5 H 1 4.945 0.004 . 1 . . . . E 29 C H5 . 18462 1 262 . 3 3 10 10 DC H5' H 1 4.104 0.004 . 2 . . . . E 29 C H5' . 18462 1 263 . 3 3 10 10 DC H5'' H 1 3.958 0.004 . 2 . . . . E 29 C H5'' . 18462 1 264 . 3 3 10 10 DC H6 H 1 7.159 0.004 . 1 . . . . E 29 C H6 . 18462 1 265 . 3 3 10 10 DC H41 H 1 8.527 0.004 . 2 . . . . E 29 C H41 . 18462 1 266 . 3 3 10 10 DC H42 H 1 6.142 0.004 . 2 . . . . E 29 C H42 . 18462 1 267 . 3 3 11 11 DA H1' H 1 5.658 0.004 . 1 . . . . E 30 A H1' . 18462 1 268 . 3 3 11 11 DA H2 H 1 7.561 0.004 . 1 . . . . E 30 A H2 . 18462 1 269 . 3 3 11 11 DA H3' H 1 4.945 0.004 . 1 . . . . E 30 A H3' . 18462 1 270 . 3 3 11 11 DA H4' H 1 4.350 0.004 . 1 . . . . E 30 A H4' . 18462 1 271 . 3 3 11 11 DA H5' H 1 3.956 0.004 . 2 . . . . E 30 A H5' . 18462 1 272 . 3 3 11 11 DA H5'' H 1 4.151 0.004 . 2 . . . . E 30 A H5'' . 18462 1 273 . 3 3 11 11 DA H8 H 1 7.590 0.004 . 1 . . . . E 30 A H8 . 18462 1 274 . 3 3 12 12 DG H1 H 1 12.711 0.004 . 1 . . . . E 31 G H1 . 18462 1 275 . 3 3 12 12 DG H1' H 1 5.798 0.004 . 1 . . . . E 31 G H1' . 18462 1 276 . 3 3 12 12 DG H8 H 1 7.602 0.004 . 1 . . . . E 31 G H8 . 18462 1 277 . 3 3 13 13 DG H1 H 1 12.177 0.004 . 1 . . . . E 32 G H1 . 18462 1 278 . 3 3 13 13 DG H1' H 1 5.923 0.004 . 1 . . . . E 32 G H1' . 18462 1 279 . 3 3 13 13 DG H8 H 1 7.513 0.004 . 1 . . . . E 32 G H8 . 18462 1 280 . 3 3 14 14 DA H1' H 1 5.915 0.004 . 1 . . . . E 33 A H1' . 18462 1 281 . 3 3 14 14 DA H2 H 1 7.068 0.004 . 1 . . . . E 33 A H2 . 18462 1 282 . 3 3 14 14 DA H2' H 1 2.496 0.004 . 2 . . . . E 33 A H2' . 18462 1 283 . 3 3 14 14 DA H2'' H 1 2.868 0.004 . 2 . . . . E 33 A H2'' . 18462 1 284 . 3 3 14 14 DA H3' H 1 4.982 0.004 . 1 . . . . E 33 A H3' . 18462 1 285 . 3 3 14 14 DA H8 H 1 7.921 0.004 . 1 . . . . E 33 A H8 . 18462 1 286 . 3 3 15 15 DA H1' H 1 5.794 0.004 . 1 . . . . E 34 A H1' . 18462 1 287 . 3 3 15 15 DA H2 H 1 7.510 0.004 . 1 . . . . E 34 A H2 . 18462 1 288 . 3 3 15 15 DA H2' H 1 2.439 0.004 . 2 . . . . E 34 A H2' . 18462 1 289 . 3 3 15 15 DA H2'' H 1 2.769 0.004 . 2 . . . . E 34 A H2'' . 18462 1 290 . 3 3 15 15 DA H3' H 1 4.945 0.004 . 1 . . . . E 34 A H3' . 18462 1 291 . 3 3 15 15 DA H4' H 1 4.360 0.004 . 1 . . . . E 34 A H4' . 18462 1 292 . 3 3 15 15 DA H5' H 1 4.194 0.004 . 2 . . . . E 34 A H5' . 18462 1 293 . 3 3 15 15 DA H5'' H 1 4.194 0.004 . 2 . . . . E 34 A H5'' . 18462 1 294 . 3 3 15 15 DA H8 H 1 7.824 0.004 . 1 . . . . E 34 A H8 . 18462 1 295 . 3 3 16 16 DG H1 H 1 12.729 0.004 . 1 . . . . E 35 G H1 . 18462 1 296 . 3 3 16 16 DG H1' H 1 5.795 0.004 . 1 . . . . E 35 G H1' . 18462 1 297 . 3 3 16 16 DG H2' H 1 2.466 0.004 . 2 . . . . E 35 G H2' . 18462 1 298 . 3 3 16 16 DG H2'' H 1 2.638 0.004 . 2 . . . . E 35 G H2'' . 18462 1 299 . 3 3 16 16 DG H3' H 1 4.965 0.004 . 1 . . . . E 35 G H3' . 18462 1 300 . 3 3 16 16 DG H4' H 1 4.348 0.004 . 1 . . . . E 35 G H4' . 18462 1 301 . 3 3 16 16 DG H8 H 1 7.600 0.004 . 1 . . . . E 35 G H8 . 18462 1 302 . 3 3 17 17 DC H1' H 1 5.691 0.004 . 1 . . . . E 36 C H1' . 18462 1 303 . 3 3 17 17 DC H2' H 1 2.033 0.004 . 2 . . . . E 36 C H2' . 18462 1 304 . 3 3 17 17 DC H2'' H 1 2.415 0.004 . 2 . . . . E 36 C H2'' . 18462 1 305 . 3 3 17 17 DC H3' H 1 4.852 0.004 . 1 . . . . E 36 C H3' . 18462 1 306 . 3 3 17 17 DC H4' H 1 4.411 0.004 . 1 . . . . E 36 C H4' . 18462 1 307 . 3 3 17 17 DC H5 H 1 5.270 0.004 . 1 . . . . E 36 C H5 . 18462 1 308 . 3 3 17 17 DC H5' H 1 4.198 0.004 . 2 . . . . E 36 C H5' . 18462 1 309 . 3 3 17 17 DC H5'' H 1 4.198 0.004 . 2 . . . . E 36 C H5'' . 18462 1 310 . 3 3 17 17 DC H6 H 1 7.327 0.004 . 1 . . . . E 36 C H6 . 18462 1 311 . 3 3 17 17 DC H41 H 1 8.240 0.004 . 2 . . . . E 36 C H41 . 18462 1 312 . 3 3 17 17 DC H42 H 1 6.335 0.004 . 2 . . . . E 36 C H42 . 18462 1 313 . 3 3 18 18 DA H1' H 1 6.284 0.004 . 1 . . . . E 37 A H1' . 18462 1 314 . 3 3 18 18 DA H2' H 1 2.703 0.004 . 2 . . . . E 37 A H2' . 18462 1 315 . 3 3 18 18 DA H2'' H 1 2.906 0.004 . 2 . . . . E 37 A H2'' . 18462 1 316 . 3 3 18 18 DA H3' H 1 5.034 0.004 . 1 . . . . E 37 A H3' . 18462 1 317 . 3 3 18 18 DA H4' H 1 4.423 0.004 . 1 . . . . E 37 A H4' . 18462 1 318 . 3 3 18 18 DA H5' H 1 4.119 0.004 . 2 . . . . E 37 A H5' . 18462 1 319 . 3 3 18 18 DA H5'' H 1 4.194 0.004 . 2 . . . . E 37 A H5'' . 18462 1 320 . 3 3 18 18 DA H8 H 1 8.277 0.004 . 1 . . . . E 37 A H8 . 18462 1 321 . 3 3 19 19 DC H1' H 1 6.123 0.004 . 1 . . . . E 38 C H1' . 18462 1 322 . 3 3 19 19 DC H2' H 1 2.112 0.004 . 2 . . . . E 38 C H2' . 18462 1 323 . 3 3 19 19 DC H2'' H 1 2.154 0.004 . 2 . . . . E 38 C H2'' . 18462 1 324 . 3 3 19 19 DC H3' H 1 4.498 0.004 . 1 . . . . E 38 C H3' . 18462 1 325 . 3 3 19 19 DC H4' H 1 4.284 0.004 . 1 . . . . E 38 C H4' . 18462 1 326 . 3 3 19 19 DC H5 H 1 5.455 0.004 . 1 . . . . E 38 C H5 . 18462 1 327 . 3 3 19 19 DC H5' H 1 4.048 0.004 . 2 . . . . E 38 C H5' . 18462 1 328 . 3 3 19 19 DC H5'' H 1 4.095 0.004 . 2 . . . . E 38 C H5'' . 18462 1 329 . 3 3 19 19 DC H6 H 1 7.415 0.004 . 1 . . . . E 38 C H6 . 18462 1 330 . 1 1 1 1 ALA HA H 1 4.143 0.003 . 1 . . . . A 472 ALA HA . 18462 1 331 . 1 1 1 1 ALA HB1 H 1 1.586 0.003 . 1 . . . . A 472 ALA HB1 . 18462 1 332 . 1 1 1 1 ALA HB2 H 1 1.586 0.003 . 1 . . . . A 472 ALA HB2 . 18462 1 333 . 1 1 1 1 ALA HB3 H 1 1.586 0.003 . 1 . . . . A 472 ALA HB3 . 18462 1 334 . 1 1 1 1 ALA CA C 13 51.031 0.100 . 1 . . . . A 472 ALA CA . 18462 1 335 . 1 1 1 1 ALA CB C 13 18.921 0.100 . 1 . . . . A 472 ALA CB . 18462 1 336 . 1 1 2 2 ASN HA H 1 4.815 0.003 . 1 . . . . A 473 ASN HA . 18462 1 337 . 1 1 2 2 ASN HB2 H 1 2.912 0.003 . 2 . . . . A 473 ASN HB2 . 18462 1 338 . 1 1 2 2 ASN HB3 H 1 2.828 0.003 . 2 . . . . A 473 ASN HB3 . 18462 1 339 . 1 1 2 2 ASN HD21 H 1 7.765 0.003 . 2 . . . . A 473 ASN HD21 . 18462 1 340 . 1 1 2 2 ASN HD22 H 1 7.046 0.003 . 2 . . . . A 473 ASN HD22 . 18462 1 341 . 1 1 2 2 ASN CA C 13 52.204 0.100 . 1 . . . . A 473 ASN CA . 18462 1 342 . 1 1 2 2 ASN CB C 13 38.371 0.100 . 1 . . . . A 473 ASN CB . 18462 1 343 . 1 1 2 2 ASN ND2 N 15 113.024 0.050 . 1 . . . . A 473 ASN ND2 . 18462 1 344 . 1 1 3 3 LYS H H 1 8.586 0.003 . 1 . . . . A 474 LYS H . 18462 1 345 . 1 1 3 3 LYS HA H 1 4.375 0.003 . 1 . . . . A 474 LYS HA . 18462 1 346 . 1 1 3 3 LYS HB2 H 1 1.91 0.003 . 2 . . . . A 474 LYS HB2 . 18462 1 347 . 1 1 3 3 LYS HB3 H 1 1.844 0.003 . 2 . . . . A 474 LYS HB3 . 18462 1 348 . 1 1 3 3 LYS HG2 H 1 1.534 0.003 . 2 . . . . A 474 LYS HG2 . 18462 1 349 . 1 1 3 3 LYS HG3 H 1 1.503 0.003 . 2 . . . . A 474 LYS HG3 . 18462 1 350 . 1 1 3 3 LYS HD2 H 1 1.803 0.003 . 2 . . . . A 474 LYS HD2 . 18462 1 351 . 1 1 3 3 LYS HD3 H 1 1.803 0.003 . 2 . . . . A 474 LYS HD3 . 18462 1 352 . 1 1 3 3 LYS HE2 H 1 3.048 0.003 . 2 . . . . A 474 LYS HE2 . 18462 1 353 . 1 1 3 3 LYS HE3 H 1 3.048 0.003 . 2 . . . . A 474 LYS HE3 . 18462 1 354 . 1 1 3 3 LYS C C 13 174.965 0.100 . 1 . . . . A 474 LYS C . 18462 1 355 . 1 1 3 3 LYS CA C 13 55.944 0.100 . 1 . . . . A 474 LYS CA . 18462 1 356 . 1 1 3 3 LYS CB C 13 32.405 0.100 . 1 . . . . A 474 LYS CB . 18462 1 357 . 1 1 3 3 LYS CG C 13 24.079 0.100 . 1 . . . . A 474 LYS CG . 18462 1 358 . 1 1 3 3 LYS CD C 13 28.289 0.100 . 1 . . . . A 474 LYS CD . 18462 1 359 . 1 1 3 3 LYS CE C 13 41.184 0.100 . 1 . . . . A 474 LYS CE . 18462 1 360 . 1 1 3 3 LYS N N 15 122.15 0.050 . 1 . . . . A 474 LYS N . 18462 1 361 . 1 1 4 4 ARG H H 1 8.662 0.003 . 1 . . . . A 475 ARG H . 18462 1 362 . 1 1 4 4 ARG HA H 1 4.374 0.003 . 1 . . . . A 475 ARG HA . 18462 1 363 . 1 1 4 4 ARG HB2 H 1 1.896 0.003 . 2 . . . . A 475 ARG HB2 . 18462 1 364 . 1 1 4 4 ARG HB3 H 1 1.841 0.003 . 2 . . . . A 475 ARG HB3 . 18462 1 365 . 1 1 4 4 ARG HG2 H 1 1.753 0.003 . 2 . . . . A 475 ARG HG2 . 18462 1 366 . 1 1 4 4 ARG HG3 H 1 1.689 0.003 . 2 . . . . A 475 ARG HG3 . 18462 1 367 . 1 1 4 4 ARG HD2 H 1 3.287 0.003 . 2 . . . . A 475 ARG HD2 . 18462 1 368 . 1 1 4 4 ARG HD3 H 1 3.287 0.003 . 2 . . . . A 475 ARG HD3 . 18462 1 369 . 1 1 4 4 ARG C C 13 176.695 0.100 . 1 . . . . A 475 ARG C . 18462 1 370 . 1 1 4 4 ARG CA C 13 55.944 0.100 . 1 . . . . A 475 ARG CA . 18462 1 371 . 1 1 4 4 ARG CB C 13 30.164 0.100 . 1 . . . . A 475 ARG CB . 18462 1 372 . 1 1 4 4 ARG CG C 13 26.647 0.100 . 1 . . . . A 475 ARG CG . 18462 1 373 . 1 1 4 4 ARG CD C 13 42.825 0.100 . 1 . . . . A 475 ARG CD . 18462 1 374 . 1 1 4 4 ARG N N 15 122.278 0.100 . 1 . . . . A 475 ARG N . 18462 1 375 . 1 1 5 5 MET H H 1 8.49 0.003 . 1 . . . . A 476 MET H . 18462 1 376 . 1 1 5 5 MET HA H 1 4.496 0.003 . 1 . . . . A 476 MET HA . 18462 1 377 . 1 1 5 5 MET HB2 H 1 2.098 0.003 . 2 . . . . A 476 MET HB2 . 18462 1 378 . 1 1 5 5 MET HB3 H 1 2.055 0.003 . 2 . . . . A 476 MET HB3 . 18462 1 379 . 1 1 5 5 MET HG2 H 1 2.635 0.003 . 2 . . . . A 476 MET HG2 . 18462 1 380 . 1 1 5 5 MET HG3 H 1 2.567 0.003 . 2 . . . . A 476 MET HG3 . 18462 1 381 . 1 1 5 5 MET C C 13 176.359 0.100 . 1 . . . . A 476 MET C . 18462 1 382 . 1 1 5 5 MET CA C 13 54.537 0.100 . 1 . . . . A 476 MET CA . 18462 1 383 . 1 1 5 5 MET CB C 13 32.509 0.100 . 1 . . . . A 476 MET CB . 18462 1 384 . 1 1 5 5 MET CG C 13 31.337 0.100 . 1 . . . . A 476 MET CG . 18462 1 385 . 1 1 5 5 MET N N 15 122.046 0.050 . 1 . . . . A 476 MET N . 18462 1 386 . 1 1 6 6 LYS H H 1 8.472 0.003 . 1 . . . . A 477 LYS H . 18462 1 387 . 1 1 6 6 LYS HA H 1 4.384 0.003 . 1 . . . . A 477 LYS HA . 18462 1 388 . 1 1 6 6 LYS HB2 H 1 1.852 0.003 . 2 . . . . A 477 LYS HB2 . 18462 1 389 . 1 1 6 6 LYS HB3 H 1 1.786 0.003 . 2 . . . . A 477 LYS HB3 . 18462 1 390 . 1 1 6 6 LYS HG2 H 1 1.506 0.003 . 2 . . . . A 477 LYS HG2 . 18462 1 391 . 1 1 6 6 LYS HG3 H 1 1.438 0.003 . 2 . . . . A 477 LYS HG3 . 18462 1 392 . 1 1 6 6 LYS HD2 H 1 1.743 0.003 . 2 . . . . A 477 LYS HD2 . 18462 1 393 . 1 1 6 6 LYS HD3 H 1 1.743 0.003 . 2 . . . . A 477 LYS HD3 . 18462 1 394 . 1 1 6 6 LYS HE2 H 1 3.043 0.003 . 2 . . . . A 477 LYS HE2 . 18462 1 395 . 1 1 6 6 LYS HE3 H 1 3.043 0.003 . 2 . . . . A 477 LYS HE3 . 18462 1 396 . 1 1 6 6 LYS C C 13 176.015 0.100 . 1 . . . . A 477 LYS C . 18462 1 397 . 1 1 6 6 LYS CA C 13 55.834 0.100 . 1 . . . . A 477 LYS CA . 18462 1 398 . 1 1 6 6 LYS CB C 13 32.107 0.100 . 1 . . . . A 477 LYS CB . 18462 1 399 . 1 1 6 6 LYS CD C 13 28.289 0.100 . 1 . . . . A 477 LYS CD . 18462 1 400 . 1 1 6 6 LYS CE C 13 41.184 0.100 . 1 . . . . A 477 LYS CE . 18462 1 401 . 1 1 6 6 LYS N N 15 123.768 0.050 . 1 . . . . A 477 LYS N . 18462 1 402 . 1 1 7 7 VAL H H 1 8.23 0.003 . 1 . . . . A 478 VAL H . 18462 1 403 . 1 1 7 7 VAL HA H 1 4.054 0.003 . 1 . . . . A 478 VAL HA . 18462 1 404 . 1 1 7 7 VAL HB H 1 2.009 0.003 . 1 . . . . A 478 VAL HB . 18462 1 405 . 1 1 7 7 VAL HG11 H 1 0.934 0.003 . 2 . . . . A 478 VAL HG11 . 18462 1 406 . 1 1 7 7 VAL HG12 H 1 0.934 0.003 . 2 . . . . A 478 VAL HG12 . 18462 1 407 . 1 1 7 7 VAL HG13 H 1 0.934 0.003 . 2 . . . . A 478 VAL HG13 . 18462 1 408 . 1 1 7 7 VAL HG21 H 1 0.826 0.003 . 2 . . . . A 478 VAL HG21 . 18462 1 409 . 1 1 7 7 VAL HG22 H 1 0.826 0.003 . 2 . . . . A 478 VAL HG22 . 18462 1 410 . 1 1 7 7 VAL HG23 H 1 0.826 0.003 . 2 . . . . A 478 VAL HG23 . 18462 1 411 . 1 1 7 7 VAL C C 13 176.32 0.100 . 1 . . . . A 478 VAL C . 18462 1 412 . 1 1 7 7 VAL CA C 13 61.337 0.100 . 1 . . . . A 478 VAL CA . 18462 1 413 . 1 1 7 7 VAL CB C 13 32.275 0.100 . 1 . . . . A 478 VAL CB . 18462 1 414 . 1 1 7 7 VAL CG1 C 13 20.094 0.100 . 1 . . . . A 478 VAL CG1 . 18462 1 415 . 1 1 7 7 VAL CG2 C 13 20.328 0.100 . 1 . . . . A 478 VAL CG2 . 18462 1 416 . 1 1 7 7 VAL N N 15 122.46 0.050 . 1 . . . . A 478 VAL N . 18462 1 417 . 1 1 8 8 LYS H H 1 8.453 0.003 . 1 . . . . A 479 LYS H . 18462 1 418 . 1 1 8 8 LYS HA H 1 4.365 0.006 . 1 . . . . A 479 LYS HA . 18462 1 419 . 1 1 8 8 LYS HB2 H 1 1.812 0.003 . 2 . . . . A 479 LYS HB2 . 18462 1 420 . 1 1 8 8 LYS HB3 H 1 1.715 0.003 . 2 . . . . A 479 LYS HB3 . 18462 1 421 . 1 1 8 8 LYS HG2 H 1 1.451 0.003 . 2 . . . . A 479 LYS HG2 . 18462 1 422 . 1 1 8 8 LYS HG3 H 1 1.341 0.003 . 2 . . . . A 479 LYS HG3 . 18462 1 423 . 1 1 8 8 LYS HD2 H 1 1.685 0.003 . 2 . . . . A 479 LYS HD2 . 18462 1 424 . 1 1 8 8 LYS HD3 H 1 1.685 0.003 . 2 . . . . A 479 LYS HD3 . 18462 1 425 . 1 1 8 8 LYS HE2 H 1 3.005 0.003 . 2 . . . . A 479 LYS HE2 . 18462 1 426 . 1 1 8 8 LYS HE3 H 1 3.005 0.003 . 2 . . . . A 479 LYS HE3 . 18462 1 427 . 1 1 8 8 LYS C C 13 175.605 0.100 . 1 . . . . A 479 LYS C . 18462 1 428 . 1 1 8 8 LYS CA C 13 55.006 0.100 . 1 . . . . A 479 LYS CA . 18462 1 429 . 1 1 8 8 LYS CB C 13 32.098 0.100 . 1 . . . . A 479 LYS CB . 18462 1 430 . 1 1 8 8 LYS CG C 13 24.079 0.100 . 1 . . . . A 479 LYS CG . 18462 1 431 . 1 1 8 8 LYS CD C 13 28.289 0.100 . 1 . . . . A 479 LYS CD . 18462 1 432 . 1 1 8 8 LYS CE C 13 41.419 0.100 . 1 . . . . A 479 LYS CE . 18462 1 433 . 1 1 8 8 LYS N N 15 126.119 0.050 . 1 . . . . A 479 LYS N . 18462 1 434 . 1 1 9 9 HIS H H 1 8.559 0.003 . 1 . . . . A 480 HIS H . 18462 1 435 . 1 1 9 9 HIS HA H 1 4.713 0.003 . 1 . . . . A 480 HIS HA . 18462 1 436 . 1 1 9 9 HIS HB2 H 1 3.154 0.003 . 2 . . . . A 480 HIS HB2 . 18462 1 437 . 1 1 9 9 HIS HB3 H 1 3.02 0.003 . 2 . . . . A 480 HIS HB3 . 18462 1 438 . 1 1 9 9 HIS HD2 H 1 7.222 0.003 . 1 . . . . A 480 HIS HD2 . 18462 1 439 . 1 1 9 9 HIS HE1 H 1 8.387 0.003 . 1 . . . . A 480 HIS HE1 . 18462 1 440 . 1 1 9 9 HIS C C 13 175.937 0.100 . 1 . . . . A 480 HIS C . 18462 1 441 . 1 1 9 9 HIS CA C 13 54.537 0.100 . 1 . . . . A 480 HIS CA . 18462 1 442 . 1 1 9 9 HIS CB C 13 30.047 0.100 . 1 . . . . A 480 HIS CB . 18462 1 443 . 1 1 9 9 HIS CD2 C 13 119.211 0.100 . 1 . . . . A 480 HIS CD2 . 18462 1 444 . 1 1 9 9 HIS CE1 C 13 136.659 0.100 . 1 . . . . A 480 HIS CE1 . 18462 1 445 . 1 1 9 9 HIS N N 15 121.065 0.050 . 1 . . . . A 480 HIS N . 18462 1 446 . 1 1 9 9 HIS ND1 N 15 200.103 0.050 . 1 . . . . A 480 HIS ND1 . 18462 1 447 . 1 1 9 9 HIS NE2 N 15 177.428 0.050 . 1 . . . . A 480 HIS NE2 . 18462 1 448 . 1 1 10 10 ASP HA H 1 4.392 0.003 . 1 . . . . A 481 ASP HA . 18462 1 449 . 1 1 10 10 ASP HB2 H 1 2.019 0.003 . 2 . . . . A 481 ASP HB2 . 18462 1 450 . 1 1 10 10 ASP HB3 H 1 1.643 0.003 . 2 . . . . A 481 ASP HB3 . 18462 1 451 . 1 1 10 10 ASP C C 13 174.413 0.100 . 1 . . . . A 481 ASP C . 18462 1 452 . 1 1 10 10 ASP CA C 13 52.907 0.100 . 1 . . . . A 481 ASP CA . 18462 1 453 . 1 1 10 10 ASP CB C 13 39.543 0.100 . 1 . . . . A 481 ASP CB . 18462 1 454 . 1 1 11 11 ASP H H 1 8.216 0.003 . 1 . . . . A 482 ASP H . 18462 1 455 . 1 1 11 11 ASP HA H 1 4.71 0.003 . 1 . . . . A 482 ASP HA . 18462 1 456 . 1 1 11 11 ASP HB2 H 1 2.696 0.003 . 2 . . . . A 482 ASP HB2 . 18462 1 457 . 1 1 11 11 ASP HB3 H 1 2.628 0.003 . 2 . . . . A 482 ASP HB3 . 18462 1 458 . 1 1 11 11 ASP C C 13 175.104 0.100 . 1 . . . . A 482 ASP C . 18462 1 459 . 1 1 11 11 ASP CA C 13 53.376 0.100 . 1 . . . . A 482 ASP CA . 18462 1 460 . 1 1 11 11 ASP CB C 13 39.308 0.100 . 1 . . . . A 482 ASP CB . 18462 1 461 . 1 1 11 11 ASP N N 15 118.362 0.050 . 1 . . . . A 482 ASP N . 18462 1 462 . 1 1 12 12 HIS H H 1 7.692 0.003 . 1 . . . . A 483 HIS H . 18462 1 463 . 1 1 12 12 HIS HA H 1 5.886 0.003 . 1 . . . . A 483 HIS HA . 18462 1 464 . 1 1 12 12 HIS HB2 H 1 3.226 0.003 . 2 . . . . A 483 HIS HB2 . 18462 1 465 . 1 1 12 12 HIS HB3 H 1 3.089 0.003 . 2 . . . . A 483 HIS HB3 . 18462 1 466 . 1 1 12 12 HIS HD2 H 1 6.928 0.003 . 1 . . . . A 483 HIS HD2 . 18462 1 467 . 1 1 12 12 HIS HE1 H 1 8.416 0.003 . 1 . . . . A 483 HIS HE1 . 18462 1 468 . 1 1 12 12 HIS C C 13 175.274 0.100 . 1 . . . . A 483 HIS C . 18462 1 469 . 1 1 12 12 HIS CA C 13 55.241 0.100 . 1 . . . . A 483 HIS CA . 18462 1 470 . 1 1 12 12 HIS CB C 13 32.04 0.100 . 1 . . . . A 483 HIS CB . 18462 1 471 . 1 1 12 12 HIS CD2 C 13 121.571 0.100 . 1 . . . . A 483 HIS CD2 . 18462 1 472 . 1 1 12 12 HIS CE1 C 13 137.749 0.100 . 1 . . . . A 483 HIS CE1 . 18462 1 473 . 1 1 12 12 HIS N N 15 113.578 0.050 . 1 . . . . A 483 HIS N . 18462 1 474 . 1 1 12 12 HIS ND1 N 15 205.160 0.050 . 1 . . . . A 483 HIS ND1 . 18462 1 475 . 1 1 12 12 HIS NE2 N 15 180.130 0.050 . 1 . . . . A 483 HIS NE2 . 18462 1 476 . 1 1 13 13 TYR H H 1 8.493 0.003 . 1 . . . . A 484 TYR H . 18462 1 477 . 1 1 13 13 TYR HA H 1 5.003 0.003 . 1 . . . . A 484 TYR HA . 18462 1 478 . 1 1 13 13 TYR HB2 H 1 3.151 0.003 . 2 . . . . A 484 TYR HB2 . 18462 1 479 . 1 1 13 13 TYR HB3 H 1 3.086 0.003 . 2 . . . . A 484 TYR HB3 . 18462 1 480 . 1 1 13 13 TYR HD1 H 1 6.748 0.003 . 1 . . . . A 484 TYR HD1 . 18462 1 481 . 1 1 13 13 TYR HD2 H 1 6.748 0.003 . 1 . . . . A 484 TYR HD2 . 18462 1 482 . 1 1 13 13 TYR HE1 H 1 6.967 0.003 . 1 . . . . A 484 TYR HE1 . 18462 1 483 . 1 1 13 13 TYR HE2 H 1 6.967 0.003 . 1 . . . . A 484 TYR HE2 . 18462 1 484 . 1 1 13 13 TYR C C 13 180.038 0.100 . 1 . . . . A 484 TYR C . 18462 1 485 . 1 1 13 13 TYR CA C 13 55.241 0.100 . 1 . . . . A 484 TYR CA . 18462 1 486 . 1 1 13 13 TYR CB C 13 39.777 0.100 . 1 . . . . A 484 TYR CB . 18462 1 487 . 1 1 13 13 TYR CD1 C 13 132.790 0.100 . 1 . . . . A 484 TYR CD1 . 18462 1 488 . 1 1 13 13 TYR CD2 C 13 132.790 0.100 . 1 . . . . A 484 TYR CD2 . 18462 1 489 . 1 1 13 13 TYR CE1 C 13 121.571 0.100 . 1 . . . . A 484 TYR CE1 . 18462 1 490 . 1 1 13 13 TYR CE2 C 13 121.571 0.100 . 1 . . . . A 484 TYR CE2 . 18462 1 491 . 1 1 13 13 TYR N N 15 116.271 0.050 . 1 . . . . A 484 TYR N . 18462 1 492 . 1 1 14 14 GLU H H 1 8.873 0.003 . 1 . . . . A 485 GLU H . 18462 1 493 . 1 1 14 14 GLU HA H 1 5.301 0.003 . 1 . . . . A 485 GLU HA . 18462 1 494 . 1 1 14 14 GLU HB2 H 1 1.978 0.003 . 2 . . . . A 485 GLU HB2 . 18462 1 495 . 1 1 14 14 GLU HB3 H 1 1.859 0.003 . 2 . . . . A 485 GLU HB3 . 18462 1 496 . 1 1 14 14 GLU HG2 H 1 2.487 0.003 . 2 . . . . A 485 GLU HG2 . 18462 1 497 . 1 1 14 14 GLU HG3 H 1 2.218 0.003 . 2 . . . . A 485 GLU HG3 . 18462 1 498 . 1 1 14 14 GLU C C 13 174.101 0.100 . 1 . . . . A 485 GLU C . 18462 1 499 . 1 1 14 14 GLU CA C 13 54.772 0.100 . 1 . . . . A 485 GLU CA . 18462 1 500 . 1 1 14 14 GLU CB C 13 31.337 0.100 . 1 . . . . A 485 GLU CB . 18462 1 501 . 1 1 14 14 GLU CG C 13 36.495 0.100 . 1 . . . . A 485 GLU CG . 18462 1 502 . 1 1 14 14 GLU N N 15 120.840 0.050 . 1 . . . . A 485 GLU N . 18462 1 503 . 1 1 15 15 LEU H H 1 8.957 0.003 . 1 . . . . A 486 LEU H . 18462 1 504 . 1 1 15 15 LEU HA H 1 4.762 0.003 . 1 . . . . A 486 LEU HA . 18462 1 505 . 1 1 15 15 LEU HB2 H 1 1.684 0.003 . 2 . . . . A 486 LEU HB2 . 18462 1 506 . 1 1 15 15 LEU HB3 H 1 1.415 0.003 . 2 . . . . A 486 LEU HB3 . 18462 1 507 . 1 1 15 15 LEU HG H 1 1.469 0.003 . 1 . . . . A 486 LEU HG . 18462 1 508 . 1 1 15 15 LEU HD11 H 1 1.007 0.003 . 1 . . . . A 486 LEU HD11 . 18462 1 509 . 1 1 15 15 LEU HD12 H 1 1.007 0.003 . 1 . . . . A 486 LEU HD12 . 18462 1 510 . 1 1 15 15 LEU HD13 H 1 1.007 0.003 . 1 . . . . A 486 LEU HD13 . 18462 1 511 . 1 1 15 15 LEU HD21 H 1 0.872 0.003 . 1 . . . . A 486 LEU HD21 . 18462 1 512 . 1 1 15 15 LEU HD22 H 1 0.872 0.003 . 1 . . . . A 486 LEU HD22 . 18462 1 513 . 1 1 15 15 LEU HD23 H 1 0.872 0.003 . 1 . . . . A 486 LEU HD23 . 18462 1 514 . 1 1 15 15 LEU C C 13 175.613 0.100 . 1 . . . . A 486 LEU C . 18462 1 515 . 1 1 15 15 LEU CA C 13 53.645 0.100 . 1 . . . . A 486 LEU CA . 18462 1 516 . 1 1 15 15 LEU CB C 13 45.873 0.100 . 1 . . . . A 486 LEU CB . 18462 1 517 . 1 1 15 15 LEU CG C 13 26.647 0.100 . 1 . . . . A 486 LEU CG . 18462 1 518 . 1 1 15 15 LEU CD1 C 13 23.376 0.100 . 1 . . . . A 486 LEU CD1 . 18462 1 519 . 1 1 15 15 LEU CD2 C 13 24.537 0.100 . 1 . . . . A 486 LEU CD2 . 18462 1 520 . 1 1 15 15 LEU N N 15 125.807 0.050 . 1 . . . . A 486 LEU N . 18462 1 521 . 1 1 16 16 ILE H H 1 8.549 0.003 . 1 . . . . A 487 ILE H . 18462 1 522 . 1 1 16 16 ILE HA H 1 5.007 0.003 . 1 . . . . A 487 ILE HA . 18462 1 523 . 1 1 16 16 ILE HB H 1 1.779 0.003 . 1 . . . . A 487 ILE HB . 18462 1 524 . 1 1 16 16 ILE HG12 H 1 1.572 0.003 . 2 . . . . A 487 ILE HG12 . 18462 1 525 . 1 1 16 16 ILE HG13 H 1 1.01 0.003 . 2 . . . . A 487 ILE HG13 . 18462 1 526 . 1 1 16 16 ILE HG21 H 1 0.74 0.003 . 1 . . . . A 487 ILE HG21 . 18462 1 527 . 1 1 16 16 ILE HG22 H 1 0.74 0.003 . 1 . . . . A 487 ILE HG22 . 18462 1 528 . 1 1 16 16 ILE HG23 H 1 0.74 0.003 . 1 . . . . A 487 ILE HG23 . 18462 1 529 . 1 1 16 16 ILE HD11 H 1 0.866 0.003 . 1 . . . . A 487 ILE HD11 . 18462 1 530 . 1 1 16 16 ILE HD12 H 1 0.866 0.003 . 1 . . . . A 487 ILE HD12 . 18462 1 531 . 1 1 16 16 ILE HD13 H 1 0.866 0.003 . 1 . . . . A 487 ILE HD13 . 18462 1 532 . 1 1 16 16 ILE C C 13 174.543 0.100 . 1 . . . . A 487 ILE C . 18462 1 533 . 1 1 16 16 ILE CA C 13 59.695 0.100 . 1 . . . . A 487 ILE CA . 18462 1 534 . 1 1 16 16 ILE CB C 13 37.433 0.100 . 1 . . . . A 487 ILE CB . 18462 1 535 . 1 1 16 16 ILE CG1 C 13 27.585 0.100 . 1 . . . . A 487 ILE CG1 . 18462 1 536 . 1 1 16 16 ILE CG2 C 13 16.577 0.100 . 1 . . . . A 487 ILE CG2 . 18462 1 537 . 1 1 16 16 ILE CD1 C 13 12.591 0.100 . 1 . . . . A 487 ILE CD1 . 18462 1 538 . 1 1 16 16 ILE N N 15 125.332 0.050 . 1 . . . . A 487 ILE N . 18462 1 539 . 1 1 17 17 VAL H H 1 9.456 0.003 . 1 . . . . A 488 VAL H . 18462 1 540 . 1 1 17 17 VAL HA H 1 4.304 0.003 . 1 . . . . A 488 VAL HA . 18462 1 541 . 1 1 17 17 VAL HB H 1 2.083 0.003 . 1 . . . . A 488 VAL HB . 18462 1 542 . 1 1 17 17 VAL HG11 H 1 0.883 0.003 . 1 . . . . A 488 VAL HG11 . 18462 1 543 . 1 1 17 17 VAL HG12 H 1 0.883 0.003 . 1 . . . . A 488 VAL HG12 . 18462 1 544 . 1 1 17 17 VAL HG13 H 1 0.883 0.003 . 1 . . . . A 488 VAL HG13 . 18462 1 545 . 1 1 17 17 VAL HG21 H 1 0.807 0.003 . 1 . . . . A 488 VAL HG21 . 18462 1 546 . 1 1 17 17 VAL HG22 H 1 0.807 0.003 . 1 . . . . A 488 VAL HG22 . 18462 1 547 . 1 1 17 17 VAL HG23 H 1 0.807 0.003 . 1 . . . . A 488 VAL HG23 . 18462 1 548 . 1 1 17 17 VAL C C 13 176.678 0.100 . 1 . . . . A 488 VAL C . 18462 1 549 . 1 1 17 17 VAL CA C 13 60.868 0.100 . 1 . . . . A 488 VAL CA . 18462 1 550 . 1 1 17 17 VAL CB C 13 33.681 0.100 . 1 . . . . A 488 VAL CB . 18462 1 551 . 1 1 17 17 VAL CG1 C 13 20.094 0.100 . 1 . . . . A 488 VAL CG1 . 18462 1 552 . 1 1 17 17 VAL CG2 C 13 19.625 0.100 . 1 . . . . A 488 VAL CG2 . 18462 1 553 . 1 1 17 17 VAL N N 15 129.307 0.050 . 1 . . . . A 488 VAL N . 18462 1 554 . 1 1 18 18 ASP H H 1 9.144 0.003 . 1 . . . . A 489 ASP H . 18462 1 555 . 1 1 18 18 ASP HA H 1 4.301 0.003 . 1 . . . . A 489 ASP HA . 18462 1 556 . 1 1 18 18 ASP HB2 H 1 3.024 0.003 . 2 . . . . A 489 ASP HB2 . 18462 1 557 . 1 1 18 18 ASP HB3 H 1 2.649 0.003 . 2 . . . . A 489 ASP HB3 . 18462 1 558 . 1 1 18 18 ASP C C 13 176.084 0.100 . 1 . . . . A 489 ASP C . 18462 1 559 . 1 1 18 18 ASP CA C 13 54.537 0.100 . 1 . . . . A 489 ASP CA . 18462 1 560 . 1 1 18 18 ASP CB C 13 39.074 0.100 . 1 . . . . A 489 ASP CB . 18462 1 561 . 1 1 18 18 ASP N N 15 128.884 0.050 . 1 . . . . A 489 ASP N . 18462 1 562 . 1 1 19 19 GLY H H 1 8.210 0.003 . 1 . . . . A 490 GLY H . 18462 1 563 . 1 1 19 19 GLY HA2 H 1 4.165 0.003 . 2 . . . . A 490 GLY HA2 . 18462 1 564 . 1 1 19 19 GLY HA3 H 1 3.547 0.003 . 2 . . . . A 490 GLY HA3 . 18462 1 565 . 1 1 19 19 GLY C C 13 175.998 0.100 . 1 . . . . A 490 GLY C . 18462 1 566 . 1 1 19 19 GLY CA C 13 44.818 0.100 . 1 . . . . A 490 GLY CA . 18462 1 567 . 1 1 19 19 GLY N N 15 102.410 0.050 . 1 . . . . A 490 GLY N . 18462 1 568 . 1 1 20 20 ARG H H 1 7.938 0.003 . 1 . . . . A 491 ARG H . 18462 1 569 . 1 1 20 20 ARG HA H 1 4.597 0.003 . 1 . . . . A 491 ARG HA . 18462 1 570 . 1 1 20 20 ARG HB2 H 1 1.782 0.003 . 2 . . . . A 491 ARG HB2 . 18462 1 571 . 1 1 20 20 ARG HB3 H 1 1.782 0.003 . 2 . . . . A 491 ARG HB3 . 18462 1 572 . 1 1 20 20 ARG HG2 H 1 1.581 0.003 . 2 . . . . A 491 ARG HG2 . 18462 1 573 . 1 1 20 20 ARG HG3 H 1 1.427 0.003 . 2 . . . . A 491 ARG HG3 . 18462 1 574 . 1 1 20 20 ARG HD2 H 1 3.164 0.003 . 2 . . . . A 491 ARG HD2 . 18462 1 575 . 1 1 20 20 ARG HD3 H 1 3.164 0.003 . 2 . . . . A 491 ARG HD3 . 18462 1 576 . 1 1 20 20 ARG HE H 1 7.152 0.003 . 1 . . . . A 491 ARG HE . 18462 1 577 . 1 1 20 20 ARG C C 13 173.256 0.100 . 1 . . . . A 491 ARG C . 18462 1 578 . 1 1 20 20 ARG CA C 13 53.61 0.100 . 1 . . . . A 491 ARG CA . 18462 1 579 . 1 1 20 20 ARG CB C 13 32.04 0.100 . 1 . . . . A 491 ARG CB . 18462 1 580 . 1 1 20 20 ARG CG C 13 26.413 0.100 . 1 . . . . A 491 ARG CG . 18462 1 581 . 1 1 20 20 ARG CD C 13 42.591 0.100 . 1 . . . . A 491 ARG CD . 18462 1 582 . 1 1 20 20 ARG N N 15 122.605 0.050 . 1 . . . . A 491 ARG N . 18462 1 583 . 1 1 20 20 ARG NE N 15 86.565 0.050 . 1 . . . . A 491 ARG NE . 18462 1 584 . 1 1 21 21 VAL H H 1 8.157 0.003 . 1 . . . . A 492 VAL H . 18462 1 585 . 1 1 21 21 VAL HA H 1 4.128 0.003 . 1 . . . . A 492 VAL HA . 18462 1 586 . 1 1 21 21 VAL HB H 1 1.735 0.003 . 1 . . . . A 492 VAL HB . 18462 1 587 . 1 1 21 21 VAL HG11 H 1 0.854 0.003 . 2 . . . . A 492 VAL HG11 . 18462 1 588 . 1 1 21 21 VAL HG12 H 1 0.854 0.003 . 2 . . . . A 492 VAL HG12 . 18462 1 589 . 1 1 21 21 VAL HG13 H 1 0.854 0.003 . 2 . . . . A 492 VAL HG13 . 18462 1 590 . 1 1 21 21 VAL HG21 H 1 0.371 0.003 . 2 . . . . A 492 VAL HG21 . 18462 1 591 . 1 1 21 21 VAL HG22 H 1 0.371 0.003 . 2 . . . . A 492 VAL HG22 . 18462 1 592 . 1 1 21 21 VAL HG23 H 1 0.371 0.003 . 2 . . . . A 492 VAL HG23 . 18462 1 593 . 1 1 21 21 VAL C C 13 173.470 0.100 . 1 . . . . A 492 VAL C . 18462 1 594 . 1 1 21 21 VAL CA C 13 62.21 0.100 . 1 . . . . A 492 VAL CA . 18462 1 595 . 1 1 21 21 VAL CB C 13 32.04 0.100 . 1 . . . . A 492 VAL CB . 18462 1 596 . 1 1 21 21 VAL CG1 C 13 21.266 0.100 . 1 . . . . A 492 VAL CG1 . 18462 1 597 . 1 1 21 21 VAL CG2 C 13 20.328 0.100 . 1 . . . . A 492 VAL CG2 . 18462 1 598 . 1 1 21 21 VAL N N 15 123.769 0.050 . 1 . . . . A 492 VAL N . 18462 1 599 . 1 1 22 22 TYR H H 1 8.981 0.003 . 1 . . . . A 493 TYR H . 18462 1 600 . 1 1 22 22 TYR HA H 1 4.632 0.003 . 1 . . . . A 493 TYR HA . 18462 1 601 . 1 1 22 22 TYR HB2 H 1 2.72 0.003 . 2 . . . . A 493 TYR HB2 . 18462 1 602 . 1 1 22 22 TYR HB3 H 1 2.72 0.003 . 2 . . . . A 493 TYR HB3 . 18462 1 603 . 1 1 22 22 TYR HD1 H 1 6.977 0.003 . 1 . . . . A 493 TYR HD1 . 18462 1 604 . 1 1 22 22 TYR HD2 H 1 6.977 0.003 . 1 . . . . A 493 TYR HD2 . 18462 1 605 . 1 1 22 22 TYR HE1 H 1 6.778 0.003 . 1 . . . . A 493 TYR HE1 . 18462 1 606 . 1 1 22 22 TYR HE2 H 1 6.778 0.003 . 1 . . . . A 493 TYR HE2 . 18462 1 607 . 1 1 22 22 TYR C C 13 174.288 0.100 . 1 . . . . A 493 TYR C . 18462 1 608 . 1 1 22 22 TYR CA C 13 56.308 0.100 . 1 . . . . A 493 TYR CA . 18462 1 609 . 1 1 22 22 TYR CB C 13 40.481 0.100 . 1 . . . . A 493 TYR CB . 18462 1 610 . 1 1 22 22 TYR CD1 C 13 132.844 0.100 . 1 . . . . A 493 TYR CD1 . 18462 1 611 . 1 1 22 22 TYR CD2 C 13 132.844 0.100 . 1 . . . . A 493 TYR CD2 . 18462 1 612 . 1 1 22 22 TYR CE1 C 13 117.105 0.100 . 1 . . . . A 493 TYR CE1 . 18462 1 613 . 1 1 22 22 TYR CE2 C 13 117.105 0.100 . 1 . . . . A 493 TYR CE2 . 18462 1 614 . 1 1 22 22 TYR N N 15 124.842 0.050 . 1 . . . . A 493 TYR N . 18462 1 615 . 1 1 23 23 TYR H H 1 9.235 0.003 . 1 . . . . A 494 TYR H . 18462 1 616 . 1 1 23 23 TYR HA H 1 4.763 0.003 . 1 . . . . A 494 TYR HA . 18462 1 617 . 1 1 23 23 TYR HB2 H 1 2.774 0.003 . 2 . . . . A 494 TYR HB2 . 18462 1 618 . 1 1 23 23 TYR HB3 H 1 2.497 0.003 . 2 . . . . A 494 TYR HB3 . 18462 1 619 . 1 1 23 23 TYR HD1 H 1 6.789 0.003 . 1 . . . . A 494 TYR HD1 . 18462 1 620 . 1 1 23 23 TYR HD2 H 1 6.789 0.003 . 1 . . . . A 494 TYR HD2 . 18462 1 621 . 1 1 23 23 TYR HE1 H 1 6.841 0.003 . 1 . . . . A 494 TYR HE1 . 18462 1 622 . 1 1 23 23 TYR HE2 H 1 6.841 0.003 . 1 . . . . A 494 TYR HE2 . 18462 1 623 . 1 1 23 23 TYR C C 13 173.811 0.100 . 1 . . . . A 494 TYR C . 18462 1 624 . 1 1 23 23 TYR CA C 13 56.764 0.100 . 1 . . . . A 494 TYR CA . 18462 1 625 . 1 1 23 23 TYR CB C 13 38.722 0.100 . 1 . . . . A 494 TYR CB . 18462 1 626 . 1 1 23 23 TYR CD1 C 13 132.385 0.100 . 1 . . . . A 494 TYR CD1 . 18462 1 627 . 1 1 23 23 TYR CD2 C 13 132.385 0.100 . 1 . . . . A 494 TYR CD2 . 18462 1 628 . 1 1 23 23 TYR CE1 C 13 117.585 0.100 . 1 . . . . A 494 TYR CE1 . 18462 1 629 . 1 1 23 23 TYR CE2 C 13 117.585 0.100 . 1 . . . . A 494 TYR CE2 . 18462 1 630 . 1 1 23 23 TYR N N 15 120.511 0.050 . 1 . . . . A 494 TYR N . 18462 1 631 . 1 1 24 24 ILE H H 1 9.136 0.003 . 1 . . . . A 495 ILE H . 18462 1 632 . 1 1 24 24 ILE HA H 1 4.78 0.003 . 1 . . . . A 495 ILE HA . 18462 1 633 . 1 1 24 24 ILE HB H 1 0.953 0.003 . 1 . . . . A 495 ILE HB . 18462 1 634 . 1 1 24 24 ILE HG12 H 1 1.218 0.003 . 2 . . . . A 495 ILE HG12 . 18462 1 635 . 1 1 24 24 ILE HG13 H 1 1.077 0.003 . 2 . . . . A 495 ILE HG13 . 18462 1 636 . 1 1 24 24 ILE HG21 H 1 0.614 0.003 . 1 . . . . A 495 ILE HG21 . 18462 1 637 . 1 1 24 24 ILE HG22 H 1 0.614 0.003 . 1 . . . . A 495 ILE HG22 . 18462 1 638 . 1 1 24 24 ILE HG23 H 1 0.614 0.003 . 1 . . . . A 495 ILE HG23 . 18462 1 639 . 1 1 24 24 ILE HD11 H 1 0.614 0.003 . 1 . . . . A 495 ILE HD11 . 18462 1 640 . 1 1 24 24 ILE HD12 H 1 0.614 0.003 . 1 . . . . A 495 ILE HD12 . 18462 1 641 . 1 1 24 24 ILE HD13 H 1 0.614 0.003 . 1 . . . . A 495 ILE HD13 . 18462 1 642 . 1 1 24 24 ILE C C 13 174.764 0.100 . 1 . . . . A 495 ILE C . 18462 1 643 . 1 1 24 24 ILE CA C 13 57.714 0.100 . 1 . . . . A 495 ILE CA . 18462 1 644 . 1 1 24 24 ILE CB C 13 36.729 0.100 . 1 . . . . A 495 ILE CB . 18462 1 645 . 1 1 24 24 ILE CG1 C 13 26.882 0.100 . 1 . . . . A 495 ILE CG1 . 18462 1 646 . 1 1 24 24 ILE CG2 C 13 17.046 0.100 . 1 . . . . A 495 ILE CG2 . 18462 1 647 . 1 1 24 24 ILE CD1 C 13 10.715 0.100 . 1 . . . . A 495 ILE CD1 . 18462 1 648 . 1 1 24 24 ILE N N 15 124.930 0.050 . 1 . . . . A 495 ILE N . 18462 1 649 . 1 1 25 25 CYS H H 1 9.016 0.003 . 1 . . . . A 496 CYS H . 18462 1 650 . 1 1 25 25 CYS HA H 1 4.745 0.003 . 1 . . . . A 496 CYS HA . 18462 1 651 . 1 1 25 25 CYS HB2 H 1 3.217 0.003 . 2 . . . . A 496 CYS HB2 . 18462 1 652 . 1 1 25 25 CYS HB3 H 1 3.492 0.003 . 2 . . . . A 496 CYS HB3 . 18462 1 653 . 1 1 25 25 CYS C C 13 176.128 0.100 . 1 . . . . A 496 CYS C . 18462 1 654 . 1 1 25 25 CYS CA C 13 60.574 0.100 . 1 . . . . A 496 CYS CA . 18462 1 655 . 1 1 25 25 CYS CB C 13 29.227 0.100 . 1 . . . . A 496 CYS CB . 18462 1 656 . 1 1 25 25 CYS N N 15 127.535 0.050 . 1 . . . . A 496 CYS N . 18462 1 657 . 1 1 26 26 ILE H H 1 8.295 0.003 . 1 . . . . A 497 ILE H . 18462 1 658 . 1 1 26 26 ILE HA H 1 4.176 0.003 . 1 . . . . A 497 ILE HA . 18462 1 659 . 1 1 26 26 ILE HB H 1 1.633 0.003 . 1 . . . . A 497 ILE HB . 18462 1 660 . 1 1 26 26 ILE HG12 H 1 1.633 0.003 . 2 . . . . A 497 ILE HG12 . 18462 1 661 . 1 1 26 26 ILE HG13 H 1 1.437 0.003 . 2 . . . . A 497 ILE HG13 . 18462 1 662 . 1 1 26 26 ILE HG21 H 1 1.132 0.003 . 1 . . . . A 497 ILE HG21 . 18462 1 663 . 1 1 26 26 ILE HG22 H 1 1.132 0.003 . 1 . . . . A 497 ILE HG22 . 18462 1 664 . 1 1 26 26 ILE HG23 H 1 1.132 0.003 . 1 . . . . A 497 ILE HG23 . 18462 1 665 . 1 1 26 26 ILE HD11 H 1 0.931 0.003 . 1 . . . . A 497 ILE HD11 . 18462 1 666 . 1 1 26 26 ILE HD12 H 1 0.931 0.003 . 1 . . . . A 497 ILE HD12 . 18462 1 667 . 1 1 26 26 ILE HD13 H 1 0.931 0.003 . 1 . . . . A 497 ILE HD13 . 18462 1 668 . 1 1 26 26 ILE C C 13 177.925 0.100 . 1 . . . . A 497 ILE C . 18462 1 669 . 1 1 26 26 ILE CA C 13 63.447 0.100 . 1 . . . . A 497 ILE CA . 18462 1 670 . 1 1 26 26 ILE CB C 13 39.543 0.100 . 1 . . . . A 497 ILE CB . 18462 1 671 . 1 1 26 26 ILE CG1 C 13 28.758 0.100 . 1 . . . . A 497 ILE CG1 . 18462 1 672 . 1 1 26 26 ILE CG2 C 13 17.28 0.100 . 1 . . . . A 497 ILE CG2 . 18462 1 673 . 1 1 26 26 ILE CD1 C 13 14.232 0.100 . 1 . . . . A 497 ILE CD1 . 18462 1 674 . 1 1 26 26 ILE N N 15 129.645 0.050 . 1 . . . . A 497 ILE N . 18462 1 675 . 1 1 27 27 VAL H H 1 8.993 0.003 . 1 . . . . A 498 VAL H . 18462 1 676 . 1 1 27 27 VAL HA H 1 3.939 0.003 . 1 . . . . A 498 VAL HA . 18462 1 677 . 1 1 27 27 VAL HB H 1 1.209 0.003 . 1 . . . . A 498 VAL HB . 18462 1 678 . 1 1 27 27 VAL HG11 H 1 0.928 0.003 . 2 . . . . A 498 VAL HG11 . 18462 1 679 . 1 1 27 27 VAL HG12 H 1 0.928 0.003 . 2 . . . . A 498 VAL HG12 . 18462 1 680 . 1 1 27 27 VAL HG13 H 1 0.928 0.003 . 2 . . . . A 498 VAL HG13 . 18462 1 681 . 1 1 27 27 VAL HG21 H 1 0.292 0.003 . 2 . . . . A 498 VAL HG21 . 18462 1 682 . 1 1 27 27 VAL HG22 H 1 0.292 0.003 . 2 . . . . A 498 VAL HG22 . 18462 1 683 . 1 1 27 27 VAL HG23 H 1 0.292 0.003 . 2 . . . . A 498 VAL HG23 . 18462 1 684 . 1 1 27 27 VAL C C 13 176.127 0.100 . 1 . . . . A 498 VAL C . 18462 1 685 . 1 1 27 27 VAL CA C 13 64.619 0.100 . 1 . . . . A 498 VAL CA . 18462 1 686 . 1 1 27 27 VAL CB C 13 32.275 0.100 . 1 . . . . A 498 VAL CB . 18462 1 687 . 1 1 27 27 VAL CG1 C 13 21.969 0.100 . 1 . . . . A 498 VAL CG1 . 18462 1 688 . 1 1 27 27 VAL CG2 C 13 19.39 0.100 . 1 . . . . A 498 VAL CG2 . 18462 1 689 . 1 1 27 27 VAL N N 15 123.791 0.050 . 1 . . . . A 498 VAL N . 18462 1 690 . 1 1 28 28 CYS H H 1 8.307 0.003 . 1 . . . . A 499 CYS H . 18462 1 691 . 1 1 28 28 CYS HA H 1 5.157 0.003 . 1 . . . . A 499 CYS HA . 18462 1 692 . 1 1 28 28 CYS HB2 H 1 2.889 0.003 . 2 . . . . A 499 CYS HB2 . 18462 1 693 . 1 1 28 28 CYS HB3 H 1 3.544 0.003 . 2 . . . . A 499 CYS HB3 . 18462 1 694 . 1 1 28 28 CYS C C 13 177.106 0.100 . 1 . . . . A 499 CYS C . 18462 1 695 . 1 1 28 28 CYS CA C 13 57.82 0.100 . 1 . . . . A 499 CYS CA . 18462 1 696 . 1 1 28 28 CYS CB C 13 31.571 0.100 . 1 . . . . A 499 CYS CB . 18462 1 697 . 1 1 28 28 CYS N N 15 117.267 0.050 . 1 . . . . A 499 CYS N . 18462 1 698 . 1 1 29 29 LYS H H 1 8.169 0.003 . 1 . . . . A 500 LYS H . 18462 1 699 . 1 1 29 29 LYS HA H 1 4.306 0.003 . 1 . . . . A 500 LYS HA . 18462 1 700 . 1 1 29 29 LYS HB2 H 1 2.197 0.003 . 2 . . . . A 500 LYS HB2 . 18462 1 701 . 1 1 29 29 LYS HB3 H 1 2.079 0.003 . 2 . . . . A 500 LYS HB3 . 18462 1 702 . 1 1 29 29 LYS HG2 H 1 1.475 0.003 . 2 . . . . A 500 LYS HG2 . 18462 1 703 . 1 1 29 29 LYS HG3 H 1 1.456 0.003 . 2 . . . . A 500 LYS HG3 . 18462 1 704 . 1 1 29 29 LYS HD2 H 1 1.804 0.003 . 2 . . . . A 500 LYS HD2 . 18462 1 705 . 1 1 29 29 LYS HD3 H 1 1.723 0.003 . 2 . . . . A 500 LYS HD3 . 18462 1 706 . 1 1 29 29 LYS HE2 H 1 3.073 0.003 . 2 . . . . A 500 LYS HE2 . 18462 1 707 . 1 1 29 29 LYS HE3 H 1 3.073 0.003 . 2 . . . . A 500 LYS HE3 . 18462 1 708 . 1 1 29 29 LYS C C 13 175.869 0.100 . 1 . . . . A 500 LYS C . 18462 1 709 . 1 1 29 29 LYS CA C 13 57.585 0.100 . 1 . . . . A 500 LYS CA . 18462 1 710 . 1 1 29 29 LYS CB C 13 28.289 0.100 . 1 . . . . A 500 LYS CB . 18462 1 711 . 1 1 29 29 LYS CG C 13 25.006 0.100 . 1 . . . . A 500 LYS CG . 18462 1 712 . 1 1 29 29 LYS CD C 13 28.054 0.100 . 1 . . . . A 500 LYS CD . 18462 1 713 . 1 1 29 29 LYS CE C 13 41.887 0.100 . 1 . . . . A 500 LYS CE . 18462 1 714 . 1 1 29 29 LYS N N 15 117.950 0.050 . 1 . . . . A 500 LYS N . 18462 1 715 . 1 1 30 30 ARG H H 1 8.071 0.003 . 1 . . . . A 501 ARG H . 18462 1 716 . 1 1 30 30 ARG HA H 1 4.09 0.003 . 1 . . . . A 501 ARG HA . 18462 1 717 . 1 1 30 30 ARG HB2 H 1 2.103 0.003 . 2 . . . . A 501 ARG HB2 . 18462 1 718 . 1 1 30 30 ARG HB3 H 1 1.552 0.003 . 2 . . . . A 501 ARG HB3 . 18462 1 719 . 1 1 30 30 ARG HG2 H 1 1.552 0.003 . 2 . . . . A 501 ARG HG2 . 18462 1 720 . 1 1 30 30 ARG HG3 H 1 1.417 0.003 . 2 . . . . A 501 ARG HG3 . 18462 1 721 . 1 1 30 30 ARG HD2 H 1 3.221 0.003 . 2 . . . . A 501 ARG HD2 . 18462 1 722 . 1 1 30 30 ARG HD3 H 1 3.025 0.003 . 2 . . . . A 501 ARG HD3 . 18462 1 723 . 1 1 30 30 ARG HE H 1 7.387 0.003 . 1 . . . . A 501 ARG HE . 18462 1 724 . 1 1 30 30 ARG C C 13 175.587 0.100 . 1 . . . . A 501 ARG C . 18462 1 725 . 1 1 30 30 ARG CA C 13 58.289 0.100 . 1 . . . . A 501 ARG CA . 18462 1 726 . 1 1 30 30 ARG CB C 13 29.694 0.100 . 1 . . . . A 501 ARG CB . 18462 1 727 . 1 1 30 30 ARG CD C 13 42.708 0.100 . 1 . . . . A 501 ARG CD . 18462 1 728 . 1 1 30 30 ARG N N 15 121.270 0.050 . 1 . . . . A 501 ARG N . 18462 1 729 . 1 1 30 30 ARG NE N 15 88.565 0.050 . 1 . . . . A 501 ARG NE . 18462 1 730 . 1 1 31 31 SER H H 1 7.553 0.003 . 1 . . . . A 502 SER H . 18462 1 731 . 1 1 31 31 SER HA H 1 5.003 0.003 . 1 . . . . A 502 SER HA . 18462 1 732 . 1 1 31 31 SER HB2 H 1 3.48 0.003 . 2 . . . . A 502 SER HB2 . 18462 1 733 . 1 1 31 31 SER HB3 H 1 3.48 0.003 . 2 . . . . A 502 SER HB3 . 18462 1 734 . 1 1 31 31 SER C C 13 174.417 0.100 . 1 . . . . A 502 SER C . 18462 1 735 . 1 1 31 31 SER CA C 13 55.475 0.100 . 1 . . . . A 502 SER CA . 18462 1 736 . 1 1 31 31 SER CB C 13 65.088 0.100 . 1 . . . . A 502 SER CB . 18462 1 737 . 1 1 31 31 SER N N 15 112.997 0.050 . 1 . . . . A 502 SER N . 18462 1 738 . 1 1 32 32 TYR H H 1 8.958 0.003 . 1 . . . . A 503 TYR H . 18462 1 739 . 1 1 32 32 TYR HA H 1 4.996 0.003 . 1 . . . . A 503 TYR HA . 18462 1 740 . 1 1 32 32 TYR HB2 H 1 3.437 0.003 . 2 . . . . A 503 TYR HB2 . 18462 1 741 . 1 1 32 32 TYR HB3 H 1 2.815 0.003 . 2 . . . . A 503 TYR HB3 . 18462 1 742 . 1 1 32 32 TYR HD1 H 1 7.384 0.003 . 1 . . . . A 503 TYR HD1 . 18462 1 743 . 1 1 32 32 TYR HD2 H 1 7.384 0.003 . 1 . . . . A 503 TYR HD2 . 18462 1 744 . 1 1 32 32 TYR HE1 H 1 6.420 0.003 . 1 . . . . A 503 TYR HE1 . 18462 1 745 . 1 1 32 32 TYR HE2 H 1 6.420 0.003 . 1 . . . . A 503 TYR HE2 . 18462 1 746 . 1 1 32 32 TYR C C 13 173.707 0.100 . 1 . . . . A 503 TYR C . 18462 1 747 . 1 1 32 32 TYR CA C 13 57.585 0.100 . 1 . . . . A 503 TYR CA . 18462 1 748 . 1 1 32 32 TYR CB C 13 42.244 0.100 . 1 . . . . A 503 TYR CB . 18462 1 749 . 1 1 32 32 TYR CD1 C 13 128.839 0.100 . 1 . . . . A 503 TYR CD1 . 18462 1 750 . 1 1 32 32 TYR CD2 C 13 128.839 0.100 . 1 . . . . A 503 TYR CD2 . 18462 1 751 . 1 1 32 32 TYR N N 15 121.115 0.050 . 1 . . . . A 503 TYR N . 18462 1 752 . 1 1 33 33 VAL H H 1 9.988 0.003 . 1 . . . . A 504 VAL H . 18462 1 753 . 1 1 33 33 VAL HA H 1 4.376 0.003 . 1 . . . . A 504 VAL HA . 18462 1 754 . 1 1 33 33 VAL HB H 1 2.431 0.003 . 1 . . . . A 504 VAL HB . 18462 1 755 . 1 1 33 33 VAL HG11 H 1 1.241 0.003 . 2 . . . . A 504 VAL HG11 . 18462 1 756 . 1 1 33 33 VAL HG12 H 1 1.241 0.003 . 2 . . . . A 504 VAL HG12 . 18462 1 757 . 1 1 33 33 VAL HG13 H 1 1.241 0.003 . 2 . . . . A 504 VAL HG13 . 18462 1 758 . 1 1 33 33 VAL HG21 H 1 1.117 0.003 . 2 . . . . A 504 VAL HG21 . 18462 1 759 . 1 1 33 33 VAL HG22 H 1 1.117 0.003 . 2 . . . . A 504 VAL HG22 . 18462 1 760 . 1 1 33 33 VAL HG23 H 1 1.117 0.003 . 2 . . . . A 504 VAL HG23 . 18462 1 761 . 1 1 33 33 VAL C C 13 176.390 0.100 . 1 . . . . A 504 VAL C . 18462 1 762 . 1 1 33 33 VAL CA C 13 62.275 0.100 . 1 . . . . A 504 VAL CA . 18462 1 763 . 1 1 33 33 VAL CB C 13 33.025 0.100 . 1 . . . . A 504 VAL CB . 18462 1 764 . 1 1 33 33 VAL CG1 C 13 21.149 0.100 . 1 . . . . A 504 VAL CG1 . 18462 1 765 . 1 1 33 33 VAL CG2 C 13 21.09 0.100 . 1 . . . . A 504 VAL CG2 . 18462 1 766 . 1 1 33 33 VAL N N 15 119.390 0.050 . 1 . . . . A 504 VAL N . 18462 1 767 . 1 1 34 34 CYS H H 1 7.518 0.003 . 1 . . . . A 505 CYS H . 18462 1 768 . 1 1 34 34 CYS HA H 1 4.998 0.003 . 1 . . . . A 505 CYS HA . 18462 1 769 . 1 1 34 34 CYS HB2 H 1 3.251 0.003 . 2 . . . . A 505 CYS HB2 . 18462 1 770 . 1 1 34 34 CYS HB3 H 1 3.013 0.003 . 2 . . . . A 505 CYS HB3 . 18462 1 771 . 1 1 34 34 CYS C C 13 176.603 0.100 . 1 . . . . A 505 CYS C . 18462 1 772 . 1 1 34 34 CYS CA C 13 56.647 0.100 . 1 . . . . A 505 CYS CA . 18462 1 773 . 1 1 34 34 CYS CB C 13 38.406 0.100 . 1 . . . . A 505 CYS CB . 18462 1 774 . 1 1 34 34 CYS N N 15 113.800 0.050 . 1 . . . . A 505 CYS N . 18462 1 775 . 1 1 35 35 LEU H H 1 8.602 0.003 . 1 . . . . A 506 LEU H . 18462 1 776 . 1 1 35 35 LEU HA H 1 3.325 0.003 . 1 . . . . A 506 LEU HA . 18462 1 777 . 1 1 35 35 LEU HB2 H 1 1.346 0.003 . 2 . . . . A 506 LEU HB2 . 18462 1 778 . 1 1 35 35 LEU HB3 H 1 0.334 0.003 . 2 . . . . A 506 LEU HB3 . 18462 1 779 . 1 1 35 35 LEU HG H 1 0.973 0.003 . 1 . . . . A 506 LEU HG . 18462 1 780 . 1 1 35 35 LEU HD11 H 1 0.515 0.003 . 2 . . . . A 506 LEU HD11 . 18462 1 781 . 1 1 35 35 LEU HD12 H 1 0.515 0.003 . 2 . . . . A 506 LEU HD12 . 18462 1 782 . 1 1 35 35 LEU HD13 H 1 0.515 0.003 . 2 . . . . A 506 LEU HD13 . 18462 1 783 . 1 1 35 35 LEU HD21 H 1 0.201 0.003 . 2 . . . . A 506 LEU HD21 . 18462 1 784 . 1 1 35 35 LEU HD22 H 1 0.201 0.003 . 2 . . . . A 506 LEU HD22 . 18462 1 785 . 1 1 35 35 LEU HD23 H 1 0.201 0.003 . 2 . . . . A 506 LEU HD23 . 18462 1 786 . 1 1 35 35 LEU C C 13 174.727 0.100 . 1 . . . . A 506 LEU C . 18462 1 787 . 1 1 35 35 LEU CA C 13 56.647 0.100 . 1 . . . . A 506 LEU CA . 18462 1 788 . 1 1 35 35 LEU CB C 13 39.308 0.100 . 1 . . . . A 506 LEU CB . 18462 1 789 . 1 1 35 35 LEU CG C 13 25.71 0.100 . 1 . . . . A 506 LEU CG . 18462 1 790 . 1 1 35 35 LEU CD1 C 13 24.079 0.100 . 1 . . . . A 506 LEU CD1 . 18462 1 791 . 1 1 35 35 LEU CD2 C 13 21.266 0.100 . 1 . . . . A 506 LEU CD2 . 18462 1 792 . 1 1 35 35 LEU N N 15 129.535 0.050 . 1 . . . . A 506 LEU N . 18462 1 793 . 1 1 36 36 THR H H 1 8.087 0.003 . 1 . . . . A 507 THR H . 18462 1 794 . 1 1 36 36 THR HA H 1 3.82 0.003 . 1 . . . . A 507 THR HA . 18462 1 795 . 1 1 36 36 THR HB H 1 4.366 0.003 . 1 . . . . A 507 THR HB . 18462 1 796 . 1 1 36 36 THR HG21 H 1 1.235 0.003 . 1 . . . . A 507 THR HG21 . 18462 1 797 . 1 1 36 36 THR HG22 H 1 1.235 0.003 . 1 . . . . A 507 THR HG22 . 18462 1 798 . 1 1 36 36 THR HG23 H 1 1.235 0.003 . 1 . . . . A 507 THR HG23 . 18462 1 799 . 1 1 36 36 THR C C 13 178.905 0.100 . 1 . . . . A 507 THR C . 18462 1 800 . 1 1 36 36 THR CA C 13 64.15 0.100 . 1 . . . . A 507 THR CA . 18462 1 801 . 1 1 36 36 THR CB C 13 66.26 0.100 . 1 . . . . A 507 THR CB . 18462 1 802 . 1 1 36 36 THR CG2 C 13 21.266 0.100 . 1 . . . . A 507 THR CG2 . 18462 1 803 . 1 1 36 36 THR N N 15 108.833 0.050 . 1 . . . . A 507 THR N . 18462 1 804 . 1 1 37 37 SER H H 1 7.23 0.003 . 1 . . . . A 508 SER H . 18462 1 805 . 1 1 37 37 SER HA H 1 4.123 0.003 . 1 . . . . A 508 SER HA . 18462 1 806 . 1 1 37 37 SER HB2 H 1 4.424 0.003 . 2 . . . . A 508 SER HB2 . 18462 1 807 . 1 1 37 37 SER HB3 H 1 4.424 0.003 . 2 . . . . A 508 SER HB3 . 18462 1 808 . 1 1 37 37 SER C C 13 178.467 0.100 . 1 . . . . A 508 SER C . 18462 1 809 . 1 1 37 37 SER CA C 13 59.461 0.100 . 1 . . . . A 508 SER CA . 18462 1 810 . 1 1 37 37 SER CB C 13 62.978 0.100 . 1 . . . . A 508 SER CB . 18462 1 811 . 1 1 37 37 SER N N 15 119.009 0.050 . 1 . . . . A 508 SER N . 18462 1 812 . 1 1 38 38 LEU H H 1 7.114 0.003 . 1 . . . . A 509 LEU H . 18462 1 813 . 1 1 38 38 LEU HA H 1 3.216 0.003 . 1 . . . . A 509 LEU HA . 18462 1 814 . 1 1 38 38 LEU HB2 H 1 1.937 0.003 . 2 . . . . A 509 LEU HB2 . 18462 1 815 . 1 1 38 38 LEU HB3 H 1 1.532 0.003 . 2 . . . . A 509 LEU HB3 . 18462 1 816 . 1 1 38 38 LEU HG H 1 1.662 0.003 . 1 . . . . A 509 LEU HG . 18462 1 817 . 1 1 38 38 LEU HD11 H 1 1.148 0.003 . 2 . . . . A 509 LEU HD11 . 18462 1 818 . 1 1 38 38 LEU HD12 H 1 1.148 0.003 . 2 . . . . A 509 LEU HD12 . 18462 1 819 . 1 1 38 38 LEU HD13 H 1 1.148 0.003 . 2 . . . . A 509 LEU HD13 . 18462 1 820 . 1 1 38 38 LEU HD21 H 1 0.942 0.003 . 2 . . . . A 509 LEU HD21 . 18462 1 821 . 1 1 38 38 LEU HD22 H 1 0.942 0.003 . 2 . . . . A 509 LEU HD22 . 18462 1 822 . 1 1 38 38 LEU HD23 H 1 0.942 0.003 . 2 . . . . A 509 LEU HD23 . 18462 1 823 . 1 1 38 38 LEU C C 13 176.740 0.100 . 1 . . . . A 509 LEU C . 18462 1 824 . 1 1 38 38 LEU CA C 13 57.351 0.100 . 1 . . . . A 509 LEU CA . 18462 1 825 . 1 1 38 38 LEU CB C 13 39.074 0.100 . 1 . . . . A 509 LEU CB . 18462 1 826 . 1 1 38 38 LEU CD1 C 13 21.969 0.100 . 1 . . . . A 509 LEU CD1 . 18462 1 827 . 1 1 38 38 LEU CD2 C 13 25.475 0.100 . 1 . . . . A 509 LEU CD2 . 18462 1 828 . 1 1 38 38 LEU N N 15 127.365 0.050 . 1 . . . . A 509 LEU N . 18462 1 829 . 1 1 39 39 ARG H H 1 8.1 0.003 . 1 . . . . A 510 ARG H . 18462 1 830 . 1 1 39 39 ARG HA H 1 3.843 0.003 . 1 . . . . A 510 ARG HA . 18462 1 831 . 1 1 39 39 ARG HB2 H 1 1.889 0.003 . 2 . . . . A 510 ARG HB2 . 18462 1 832 . 1 1 39 39 ARG HB3 H 1 1.889 0.003 . 2 . . . . A 510 ARG HB3 . 18462 1 833 . 1 1 39 39 ARG HG2 H 1 1.764 0.003 . 2 . . . . A 510 ARG HG2 . 18462 1 834 . 1 1 39 39 ARG HG3 H 1 1.55 0.003 . 2 . . . . A 510 ARG HG3 . 18462 1 835 . 1 1 39 39 ARG HD2 H 1 3.039 0.003 . 2 . . . . A 510 ARG HD2 . 18462 1 836 . 1 1 39 39 ARG HD3 H 1 3.039 0.003 . 2 . . . . A 510 ARG HD3 . 18462 1 837 . 1 1 39 39 ARG HE H 1 8.89 0.003 . 1 . . . . A 510 ARG HE . 18462 1 838 . 1 1 39 39 ARG C C 13 178.472 0.100 . 1 . . . . A 510 ARG C . 18462 1 839 . 1 1 39 39 ARG CA C 13 61.766 0.100 . 1 . . . . A 510 ARG CA . 18462 1 840 . 1 1 39 39 ARG CB C 13 28.992 0.100 . 1 . . . . A 510 ARG CB . 18462 1 841 . 1 1 39 39 ARG CG C 13 28.523 0.100 . 1 . . . . A 510 ARG CG . 18462 1 842 . 1 1 39 39 ARG CD C 13 42.122 0.100 . 1 . . . . A 510 ARG CD . 18462 1 843 . 1 1 39 39 ARG N N 15 119.955 0.050 . 1 . . . . A 510 ARG N . 18462 1 844 . 1 1 39 39 ARG NE N 15 89.816 0.050 . 1 . . . . A 510 ARG NE . 18462 1 845 . 1 1 40 40 ARG H H 1 7.802 0.003 . 1 . . . . A 511 ARG H . 18462 1 846 . 1 1 40 40 ARG HA H 1 4.078 0.003 . 1 . . . . A 511 ARG HA . 18462 1 847 . 1 1 40 40 ARG HB2 H 1 2.264 0.003 . 2 . . . . A 511 ARG HB2 . 18462 1 848 . 1 1 40 40 ARG HB3 H 1 1.994 0.003 . 2 . . . . A 511 ARG HB3 . 18462 1 849 . 1 1 40 40 ARG HG2 H 1 1.843 0.003 . 2 . . . . A 511 ARG HG2 . 18462 1 850 . 1 1 40 40 ARG HG3 H 1 1.408 0.003 . 2 . . . . A 511 ARG HG3 . 18462 1 851 . 1 1 40 40 ARG HD2 H 1 3.136 0.003 . 2 . . . . A 511 ARG HD2 . 18462 1 852 . 1 1 40 40 ARG HD3 H 1 3.136 0.003 . 2 . . . . A 511 ARG HD3 . 18462 1 853 . 1 1 40 40 ARG HE H 1 7.773 0.003 . 1 . . . . A 511 ARG HE . 18462 1 854 . 1 1 40 40 ARG C C 13 178.262 0.100 . 1 . . . . A 511 ARG C . 18462 1 855 . 1 1 40 40 ARG CA C 13 59.054 0.100 . 1 . . . . A 511 ARG CA . 18462 1 856 . 1 1 40 40 ARG CB C 13 29.695 0.100 . 1 . . . . A 511 ARG CB . 18462 1 857 . 1 1 40 40 ARG N N 15 120.947 0.050 . 1 . . . . A 511 ARG N . 18462 1 858 . 1 1 40 40 ARG NE N 15 80.815 0.050 . 1 . . . . A 511 ARG NE . 18462 1 859 . 1 1 41 41 HIS H H 1 7.809 0.003 . 1 . . . . A 512 HIS H . 18462 1 860 . 1 1 41 41 HIS HA H 1 4.219 0.003 . 1 . . . . A 512 HIS HA . 18462 1 861 . 1 1 41 41 HIS HB2 H 1 3.376 0.003 . 2 . . . . A 512 HIS HB2 . 18462 1 862 . 1 1 41 41 HIS HB3 H 1 3.147 0.003 . 2 . . . . A 512 HIS HB3 . 18462 1 863 . 1 1 41 41 HIS HD1 H 1 12.785 0.003 . 1 . . . . A 512 HIS HD1 . 18462 1 864 . 1 1 41 41 HIS HD2 H 1 7.038 0.003 . 1 . . . . A 512 HIS HD2 . 18462 1 865 . 1 1 41 41 HIS HE1 H 1 7.893 0.003 . 1 . . . . A 512 HIS HE1 . 18462 1 866 . 1 1 41 41 HIS C C 13 178.069 0.100 . 1 . . . . A 512 HIS C . 18462 1 867 . 1 1 41 41 HIS CA C 13 57.507 0.100 . 1 . . . . A 512 HIS CA . 18462 1 868 . 1 1 41 41 HIS CB C 13 27.39 0.100 . 1 . . . . A 512 HIS CB . 18462 1 869 . 1 1 41 41 HIS CD2 C 13 125.088 0.100 . 1 . . . . A 512 HIS CD2 . 18462 1 870 . 1 1 41 41 HIS CE1 C 13 138.299 0.100 . 1 . . . . A 512 HIS CE1 . 18462 1 871 . 1 1 41 41 HIS N N 15 116.820 0.050 . 1 . . . . A 512 HIS N . 18462 1 872 . 1 1 41 41 HIS ND1 N 15 175.970 0.050 . 1 . . . . A 512 HIS ND1 . 18462 1 873 . 1 1 41 41 HIS NE2 N 15 214.773 0.050 . 1 . . . . A 512 HIS NE2 . 18462 1 874 . 1 1 42 42 PHE H H 1 8.898 0.003 . 1 . . . . A 513 PHE H . 18462 1 875 . 1 1 42 42 PHE HA H 1 3.62 0.003 . 1 . . . . A 513 PHE HA . 18462 1 876 . 1 1 42 42 PHE HB2 H 1 3.547 0.003 . 2 . . . . A 513 PHE HB2 . 18462 1 877 . 1 1 42 42 PHE HB3 H 1 3.196 0.003 . 2 . . . . A 513 PHE HB3 . 18462 1 878 . 1 1 42 42 PHE HD1 H 1 7.815 0.003 . 1 . . . . A 513 PHE HD1 . 18462 1 879 . 1 1 42 42 PHE HD2 H 1 7.815 0.003 . 1 . . . . A 513 PHE HD2 . 18462 1 880 . 1 1 42 42 PHE HE1 H 1 7.62 0.003 . 1 . . . . A 513 PHE HE1 . 18462 1 881 . 1 1 42 42 PHE HE2 H 1 7.62 0.003 . 1 . . . . A 513 PHE HE2 . 18462 1 882 . 1 1 42 42 PHE HZ H 1 7.408 0.003 . 1 . . . . A 513 PHE HZ . 18462 1 883 . 1 1 42 42 PHE C C 13 176.026 0.100 . 1 . . . . A 513 PHE C . 18462 1 884 . 1 1 42 42 PHE CA C 13 61.102 0.100 . 1 . . . . A 513 PHE CA . 18462 1 885 . 1 1 42 42 PHE CB C 13 38.996 0.100 . 1 . . . . A 513 PHE CB . 18462 1 886 . 1 1 42 42 PHE CD1 C 13 132.891 0.100 . 1 . . . . A 513 PHE CD1 . 18462 1 887 . 1 1 42 42 PHE CD2 C 13 132.891 0.100 . 1 . . . . A 513 PHE CD2 . 18462 1 888 . 1 1 42 42 PHE CE1 C 13 130.953 0.100 . 1 . . . . A 513 PHE CE1 . 18462 1 889 . 1 1 42 42 PHE CE2 C 13 130.953 0.100 . 1 . . . . A 513 PHE CE2 . 18462 1 890 . 1 1 42 42 PHE CZ C 13 128.839 0.100 . 1 . . . . A 513 PHE CZ . 18462 1 891 . 1 1 42 42 PHE N N 15 118.415 0.050 . 1 . . . . A 513 PHE N . 18462 1 892 . 1 1 43 43 ASN H H 1 8.678 0.003 . 1 . . . . A 514 ASN H . 18462 1 893 . 1 1 43 43 ASN HA H 1 4.988 0.003 . 1 . . . . A 514 ASN HA . 18462 1 894 . 1 1 43 43 ASN HB2 H 1 2.724 0.003 . 2 . . . . A 514 ASN HB2 . 18462 1 895 . 1 1 43 43 ASN HB3 H 1 2.418 0.003 . 2 . . . . A 514 ASN HB3 . 18462 1 896 . 1 1 43 43 ASN HD21 H 1 8.681 0.003 . 2 . . . . A 514 ASN HD21 . 18462 1 897 . 1 1 43 43 ASN HD22 H 1 8.431 0.003 . 2 . . . . A 514 ASN HD22 . 18462 1 898 . 1 1 43 43 ASN C C 13 176.236 0.100 . 1 . . . . A 514 ASN C . 18462 1 899 . 1 1 43 43 ASN CA C 13 55.006 0.100 . 1 . . . . A 514 ASN CA . 18462 1 900 . 1 1 43 43 ASN CB C 13 40.129 0.100 . 1 . . . . A 514 ASN CB . 18462 1 901 . 1 1 43 43 ASN N N 15 114.080 0.050 . 1 . . . . A 514 ASN N . 18462 1 902 . 1 1 43 43 ASN ND2 N 15 118.829 0.050 . 1 . . . . A 514 ASN ND2 . 18462 1 903 . 1 1 44 44 ILE H H 1 7.919 0.003 . 1 . . . . A 515 ILE H . 18462 1 904 . 1 1 44 44 ILE HA H 1 2.997 0.003 . 1 . . . . A 515 ILE HA . 18462 1 905 . 1 1 44 44 ILE HB H 1 1.265 0.003 . 1 . . . . A 515 ILE HB . 18462 1 906 . 1 1 44 44 ILE HG12 H 1 0.97 0.003 . 2 . . . . A 515 ILE HG12 . 18462 1 907 . 1 1 44 44 ILE HG13 H 1 0.721 0.003 . 2 . . . . A 515 ILE HG13 . 18462 1 908 . 1 1 44 44 ILE HG21 H 1 0.592 0.003 . 1 . . . . A 515 ILE HG21 . 18462 1 909 . 1 1 44 44 ILE HG22 H 1 0.592 0.003 . 1 . . . . A 515 ILE HG22 . 18462 1 910 . 1 1 44 44 ILE HG23 H 1 0.592 0.003 . 1 . . . . A 515 ILE HG23 . 18462 1 911 . 1 1 44 44 ILE HD11 H 1 0.945 0.003 . 1 . . . . A 515 ILE HD11 . 18462 1 912 . 1 1 44 44 ILE HD12 H 1 0.945 0.003 . 1 . . . . A 515 ILE HD12 . 18462 1 913 . 1 1 44 44 ILE HD13 H 1 0.945 0.003 . 1 . . . . A 515 ILE HD13 . 18462 1 914 . 1 1 44 44 ILE C C 13 176.292 0.100 . 1 . . . . A 515 ILE C . 18462 1 915 . 1 1 44 44 ILE CA C 13 63.447 0.100 . 1 . . . . A 515 ILE CA . 18462 1 916 . 1 1 44 44 ILE CB C 13 37.198 0.100 . 1 . . . . A 515 ILE CB . 18462 1 917 . 1 1 44 44 ILE CG1 C 13 28.289 0.100 . 1 . . . . A 515 ILE CG1 . 18462 1 918 . 1 1 44 44 ILE CG2 C 13 15.639 0.100 . 1 . . . . A 515 ILE CG2 . 18462 1 919 . 1 1 44 44 ILE CD1 C 13 14.232 0.100 . 1 . . . . A 515 ILE CD1 . 18462 1 920 . 1 1 44 44 ILE N N 15 114.035 0.050 . 1 . . . . A 515 ILE N . 18462 1 921 . 1 1 45 45 HIS H H 1 7.17 0.003 . 1 . . . . A 516 HIS H . 18462 1 922 . 1 1 45 45 HIS HA H 1 4.767 0.003 . 1 . . . . A 516 HIS HA . 18462 1 923 . 1 1 45 45 HIS HB2 H 1 3.004 0.003 . 2 . . . . A 516 HIS HB2 . 18462 1 924 . 1 1 45 45 HIS HB3 H 1 2.397 0.003 . 2 . . . . A 516 HIS HB3 . 18462 1 925 . 1 1 45 45 HIS HD2 H 1 6.295 0.003 . 1 . . . . A 516 HIS HD2 . 18462 1 926 . 1 1 45 45 HIS HE1 H 1 8.098 0.003 . 1 . . . . A 516 HIS HE1 . 18462 1 927 . 1 1 45 45 HIS C C 13 175.870 0.100 . 1 . . . . A 516 HIS C . 18462 1 928 . 1 1 45 45 HIS CA C 13 54.542 0.100 . 1 . . . . A 516 HIS CA . 18462 1 929 . 1 1 45 45 HIS CB C 13 27.585 0.100 . 1 . . . . A 516 HIS CB . 18462 1 930 . 1 1 45 45 HIS CD2 C 13 127.667 0.100 . 1 . . . . A 516 HIS CD2 . 18462 1 931 . 1 1 45 45 HIS CE1 C 13 138.937 0.100 . 1 . . . . A 516 HIS CE1 . 18462 1 932 . 1 1 45 45 HIS N N 15 113.136 0.050 . 1 . . . . A 516 HIS N . 18462 1 933 . 1 1 45 45 HIS ND1 N 15 169.208 0.050 . 1 . . . . A 516 HIS ND1 . 18462 1 934 . 1 1 45 45 HIS NE2 N 15 213.846 0.050 . 1 . . . . A 516 HIS NE2 . 18462 1 935 . 1 1 46 46 SER H H 1 7.886 0.003 . 1 . . . . A 517 SER H . 18462 1 936 . 1 1 46 46 SER HA H 1 4.359 0.003 . 1 . . . . A 517 SER HA . 18462 1 937 . 1 1 46 46 SER HB2 H 1 4.16 0.003 . 2 . . . . A 517 SER HB2 . 18462 1 938 . 1 1 46 46 SER HB3 H 1 3.978 0.003 . 2 . . . . A 517 SER HB3 . 18462 1 939 . 1 1 46 46 SER C C 13 177.067 0.100 . 1 . . . . A 517 SER C . 18462 1 940 . 1 1 46 46 SER CA C 13 58.758 0.100 . 1 . . . . A 517 SER CA . 18462 1 941 . 1 1 46 46 SER CB C 13 63.447 0.100 . 1 . . . . A 517 SER CB . 18462 1 942 . 1 1 46 46 SER N N 15 112.852 0.050 . 1 . . . . A 517 SER N . 18462 1 943 . 1 1 47 47 TRP H H 1 9.274 0.003 . 1 . . . . A 518 TRP H . 18462 1 944 . 1 1 47 47 TRP HA H 1 4.005 0.003 . 1 . . . . A 518 TRP HA . 18462 1 945 . 1 1 47 47 TRP HB2 H 1 3.507 0.003 . 2 . . . . A 518 TRP HB2 . 18462 1 946 . 1 1 47 47 TRP HB3 H 1 2.996 0.003 . 2 . . . . A 518 TRP HB3 . 18462 1 947 . 1 1 47 47 TRP HD1 H 1 7.003 0.003 . 1 . . . . A 518 TRP HD1 . 18462 1 948 . 1 1 47 47 TRP HE1 H 1 9.749 0.003 . 1 . . . . A 518 TRP HE1 . 18462 1 949 . 1 1 47 47 TRP HE3 H 1 7.586 0.003 . 1 . . . . A 518 TRP HE3 . 18462 1 950 . 1 1 47 47 TRP HZ2 H 1 7.604 0.003 . 1 . . . . A 518 TRP HZ2 . 18462 1 951 . 1 1 47 47 TRP HZ3 H 1 6.782 0.003 . 1 . . . . A 518 TRP HZ3 . 18462 1 952 . 1 1 47 47 TRP HH2 H 1 6.819 0.003 . 1 . . . . A 518 TRP HH2 . 18462 1 953 . 1 1 47 47 TRP C C 13 175.133 0.100 . 1 . . . . A 518 TRP C . 18462 1 954 . 1 1 47 47 TRP CA C 13 57.82 0.100 . 1 . . . . A 518 TRP CA . 18462 1 955 . 1 1 47 47 TRP CB C 13 25.71 0.100 . 1 . . . . A 518 TRP CB . 18462 1 956 . 1 1 47 47 TRP CD1 C 13 127.196 0.100 . 1 . . . . A 518 TRP CD1 . 18462 1 957 . 1 1 47 47 TRP CE3 C 13 119.461 0.100 . 1 . . . . A 518 TRP CE3 . 18462 1 958 . 1 1 47 47 TRP CZ2 C 13 113.845 0.100 . 1 . . . . A 518 TRP CZ2 . 18462 1 959 . 1 1 47 47 TRP CZ3 C 13 119.461 0.100 . 1 . . . . A 518 TRP CZ3 . 18462 1 960 . 1 1 47 47 TRP CH2 C 13 122.509 0.100 . 1 . . . . A 518 TRP CH2 . 18462 1 961 . 1 1 47 47 TRP N N 15 122.824 0.050 . 1 . . . . A 518 TRP N . 18462 1 962 . 1 1 47 47 TRP NE1 N 15 128.756 0.050 . 1 . . . . A 518 TRP NE1 . 18462 1 963 . 1 1 48 48 GLU H H 1 7.828 0.003 . 1 . . . . A 519 GLU H . 18462 1 964 . 1 1 48 48 GLU HA H 1 4.042 0.003 . 1 . . . . A 519 GLU HA . 18462 1 965 . 1 1 48 48 GLU HB2 H 1 2.137 0.003 . 2 . . . . A 519 GLU HB2 . 18462 1 966 . 1 1 48 48 GLU HB3 H 1 2.137 0.003 . 2 . . . . A 519 GLU HB3 . 18462 1 967 . 1 1 48 48 GLU HG2 H 1 2.447 0.003 . 2 . . . . A 519 GLU HG2 . 18462 1 968 . 1 1 48 48 GLU HG3 H 1 2.342 0.003 . 2 . . . . A 519 GLU HG3 . 18462 1 969 . 1 1 48 48 GLU C C 13 175.353 0.100 . 1 . . . . A 519 GLU C . 18462 1 970 . 1 1 48 48 GLU CA C 13 58.758 0.100 . 1 . . . . A 519 GLU CA . 18462 1 971 . 1 1 48 48 GLU CB C 13 29.695 0.100 . 1 . . . . A 519 GLU CB . 18462 1 972 . 1 1 48 48 GLU CG C 13 36.26 0.100 . 1 . . . . A 519 GLU CG . 18462 1 973 . 1 1 48 48 GLU N N 15 119.673 0.050 . 1 . . . . A 519 GLU N . 18462 1 974 . 1 1 49 49 LYS H H 1 9.085 0.003 . 1 . . . . A 520 LYS H . 18462 1 975 . 1 1 49 49 LYS HA H 1 4.544 0.003 . 1 . . . . A 520 LYS HA . 18462 1 976 . 1 1 49 49 LYS HB2 H 1 1.546 0.003 . 2 . . . . A 520 LYS HB2 . 18462 1 977 . 1 1 49 49 LYS HB3 H 1 1.358 0.003 . 2 . . . . A 520 LYS HB3 . 18462 1 978 . 1 1 49 49 LYS HG2 H 1 1.336 0.003 . 2 . . . . A 520 LYS HG2 . 18462 1 979 . 1 1 49 49 LYS HG3 H 1 1.342 0.003 . 2 . . . . A 520 LYS HG3 . 18462 1 980 . 1 1 49 49 LYS HD2 H 1 1.762 0.003 . 2 . . . . A 520 LYS HD2 . 18462 1 981 . 1 1 49 49 LYS HD3 H 1 1.664 0.003 . 2 . . . . A 520 LYS HD3 . 18462 1 982 . 1 1 49 49 LYS HE2 H 1 3.01 0.003 . 2 . . . . A 520 LYS HE2 . 18462 1 983 . 1 1 49 49 LYS HE3 H 1 3.01 0.003 . 2 . . . . A 520 LYS HE3 . 18462 1 984 . 1 1 49 49 LYS C C 13 178.036 0.100 . 1 . . . . A 520 LYS C . 18462 1 985 . 1 1 49 49 LYS CA C 13 53.845 0.100 . 1 . . . . A 520 LYS CA . 18462 1 986 . 1 1 49 49 LYS CB C 13 34.385 0.100 . 1 . . . . A 520 LYS CB . 18462 1 987 . 1 1 49 49 LYS CG C 13 24.772 0.100 . 1 . . . . A 520 LYS CG . 18462 1 988 . 1 1 49 49 LYS CD C 13 28.523 0.100 . 1 . . . . A 520 LYS CD . 18462 1 989 . 1 1 49 49 LYS CE C 13 41.419 0.100 . 1 . . . . A 520 LYS CE . 18462 1 990 . 1 1 49 49 LYS N N 15 118.358 0.050 . 1 . . . . A 520 LYS N . 18462 1 991 . 1 1 50 50 LYS H H 1 8.238 0.003 . 1 . . . . A 521 LYS H . 18462 1 992 . 1 1 50 50 LYS HA H 1 4.658 0.003 . 1 . . . . A 521 LYS HA . 18462 1 993 . 1 1 50 50 LYS HB2 H 1 1.75 0.003 . 2 . . . . A 521 LYS HB2 . 18462 1 994 . 1 1 50 50 LYS HB3 H 1 1.704 0.003 . 2 . . . . A 521 LYS HB3 . 18462 1 995 . 1 1 50 50 LYS HG2 H 1 1.53 0.003 . 2 . . . . A 521 LYS HG2 . 18462 1 996 . 1 1 50 50 LYS HG3 H 1 1.53 0.003 . 2 . . . . A 521 LYS HG3 . 18462 1 997 . 1 1 50 50 LYS HD2 H 1 1.667 0.003 . 2 . . . . A 521 LYS HD2 . 18462 1 998 . 1 1 50 50 LYS HD3 H 1 1.667 0.003 . 2 . . . . A 521 LYS HD3 . 18462 1 999 . 1 1 50 50 LYS HE2 H 1 2.984 0.003 . 2 . . . . A 521 LYS HE2 . 18462 1 1000 . 1 1 50 50 LYS HE3 H 1 2.916 0.003 . 2 . . . . A 521 LYS HE3 . 18462 1 1001 . 1 1 50 50 LYS C C 13 175.168 0.100 . 1 . . . . A 521 LYS C . 18462 1 1002 . 1 1 50 50 LYS CA C 13 54.537 0.100 . 1 . . . . A 521 LYS CA . 18462 1 1003 . 1 1 50 50 LYS CB C 13 35.323 0.100 . 1 . . . . A 521 LYS CB . 18462 1 1004 . 1 1 50 50 LYS CG C 13 25.241 0.100 . 1 . . . . A 521 LYS CG . 18462 1 1005 . 1 1 50 50 LYS CD C 13 28.523 0.100 . 1 . . . . A 521 LYS CD . 18462 1 1006 . 1 1 50 50 LYS CE C 13 41.653 0.100 . 1 . . . . A 521 LYS CE . 18462 1 1007 . 1 1 50 50 LYS N N 15 118.859 0.050 . 1 . . . . A 521 LYS N . 18462 1 1008 . 1 1 51 51 TYR H H 1 7.788 0.003 . 1 . . . . A 522 TYR H . 18462 1 1009 . 1 1 51 51 TYR HA H 1 5.028 0.003 . 1 . . . . A 522 TYR HA . 18462 1 1010 . 1 1 51 51 TYR HB2 H 1 3.105 0.003 . 2 . . . . A 522 TYR HB2 . 18462 1 1011 . 1 1 51 51 TYR HB3 H 1 2.549 0.003 . 2 . . . . A 522 TYR HB3 . 18462 1 1012 . 1 1 51 51 TYR HD1 H 1 6.978 0.003 . 1 . . . . A 522 TYR HD1 . 18462 1 1013 . 1 1 51 51 TYR HD2 H 1 6.978 0.003 . 1 . . . . A 522 TYR HD2 . 18462 1 1014 . 1 1 51 51 TYR HE1 H 1 6.715 0.003 . 1 . . . . A 522 TYR HE1 . 18462 1 1015 . 1 1 51 51 TYR HE2 H 1 6.715 0.003 . 1 . . . . A 522 TYR HE2 . 18462 1 1016 . 1 1 51 51 TYR C C 13 175.016 0.100 . 1 . . . . A 522 TYR C . 18462 1 1017 . 1 1 51 51 TYR CA C 13 54.537 0.100 . 1 . . . . A 522 TYR CA . 18462 1 1018 . 1 1 51 51 TYR CB C 13 37.198 0.100 . 1 . . . . A 522 TYR CB . 18462 1 1019 . 1 1 51 51 TYR CD1 C 13 132.863 0.100 . 1 . . . . A 522 TYR CD1 . 18462 1 1020 . 1 1 51 51 TYR CD2 C 13 132.863 0.100 . 1 . . . . A 522 TYR CD2 . 18462 1 1021 . 1 1 51 51 TYR N N 15 117.305 0.050 . 1 . . . . A 522 TYR N . 18462 1 1022 . 1 1 52 52 PRO HA H 1 5.026 0.003 . 1 . . . . A 523 PRO HA . 18462 1 1023 . 1 1 52 52 PRO HB2 H 1 2.315 0.003 . 2 . . . . A 523 PRO HB2 . 18462 1 1024 . 1 1 52 52 PRO HB3 H 1 2.216 0.003 . 2 . . . . A 523 PRO HB3 . 18462 1 1025 . 1 1 52 52 PRO HG2 H 1 2.253 0.003 . 2 . . . . A 523 PRO HG2 . 18462 1 1026 . 1 1 52 52 PRO HG3 H 1 1.981 0.003 . 2 . . . . A 523 PRO HG3 . 18462 1 1027 . 1 1 52 52 PRO HD2 H 1 3.885 0.003 . 2 . . . . A 523 PRO HD2 . 18462 1 1028 . 1 1 52 52 PRO HD3 H 1 3.521 0.003 . 2 . . . . A 523 PRO HD3 . 18462 1 1029 . 1 1 52 52 PRO CA C 13 61.806 0.100 . 1 . . . . A 523 PRO CA . 18462 1 1030 . 1 1 52 52 PRO CB C 13 31.839 0.100 . 1 . . . . A 523 PRO CB . 18462 1 1031 . 1 1 52 52 PRO CG C 13 26.413 0.100 . 1 . . . . A 523 PRO CG . 18462 1 1032 . 1 1 52 52 PRO CD C 13 51.031 0.100 . 1 . . . . A 523 PRO CD . 18462 1 1033 . 1 1 53 53 CYS H H 1 9.21 0.003 . 1 . . . . A 524 CYS H . 18462 1 1034 . 1 1 53 53 CYS HA H 1 4.739 0.003 . 1 . . . . A 524 CYS HA . 18462 1 1035 . 1 1 53 53 CYS HB2 H 1 3.16 0.003 . 2 . . . . A 524 CYS HB2 . 18462 1 1036 . 1 1 53 53 CYS HB3 H 1 3.662 0.003 . 2 . . . . A 524 CYS HB3 . 18462 1 1037 . 1 1 53 53 CYS C C 13 176.841 0.100 . 1 . . . . A 524 CYS C . 18462 1 1038 . 1 1 53 53 CYS CA C 13 60.29 0.100 . 1 . . . . A 524 CYS CA . 18462 1 1039 . 1 1 53 53 CYS CB C 13 29.344 0.100 . 1 . . . . A 524 CYS CB . 18462 1 1040 . 1 1 53 53 CYS N N 15 126.569 0.050 . 1 . . . . A 524 CYS N . 18462 1 1041 . 1 1 54 54 ARG H H 1 9.724 0.003 . 1 . . . . A 525 ARG H . 18462 1 1042 . 1 1 54 54 ARG HA H 1 4.285 0.003 . 1 . . . . A 525 ARG HA . 18462 1 1043 . 1 1 54 54 ARG HB2 H 1 1.629 0.003 . 2 . . . . A 525 ARG HB2 . 18462 1 1044 . 1 1 54 54 ARG HB3 H 1 1.593 0.003 . 2 . . . . A 525 ARG HB3 . 18462 1 1045 . 1 1 54 54 ARG HG2 H 1 1.679 0.003 . 2 . . . . A 525 ARG HG2 . 18462 1 1046 . 1 1 54 54 ARG HG3 H 1 1.41 0.003 . 2 . . . . A 525 ARG HG3 . 18462 1 1047 . 1 1 54 54 ARG HD2 H 1 3.361 0.003 . 2 . . . . A 525 ARG HD2 . 18462 1 1048 . 1 1 54 54 ARG HD3 H 1 3.162 0.003 . 2 . . . . A 525 ARG HD3 . 18462 1 1049 . 1 1 54 54 ARG HE H 1 10.044 0.003 . 1 . . . . A 525 ARG HE . 18462 1 1050 . 1 1 54 54 ARG C C 13 176.390 0.100 . 1 . . . . A 525 ARG C . 18462 1 1051 . 1 1 54 54 ARG CA C 13 58.043 0.100 . 1 . . . . A 525 ARG CA . 18462 1 1052 . 1 1 54 54 ARG CB C 13 27.576 0.100 . 1 . . . . A 525 ARG CB . 18462 1 1053 . 1 1 54 54 ARG CG C 13 30.399 0.100 . 1 . . . . A 525 ARG CG . 18462 1 1054 . 1 1 54 54 ARG N N 15 130.294 0.050 . 1 . . . . A 525 ARG N . 18462 1 1055 . 1 1 54 54 ARG NE N 15 88.815 0.050 . 1 . . . . A 525 ARG NE . 18462 1 1056 . 1 1 55 55 TYR H H 1 10.439 0.003 . 1 . . . . A 526 TYR H . 18462 1 1057 . 1 1 55 55 TYR HA H 1 4.517 0.003 . 1 . . . . A 526 TYR HA . 18462 1 1058 . 1 1 55 55 TYR HB2 H 1 2.513 0.003 . 2 . . . . A 526 TYR HB2 . 18462 1 1059 . 1 1 55 55 TYR HB3 H 1 1.363 0.003 . 2 . . . . A 526 TYR HB3 . 18462 1 1060 . 1 1 55 55 TYR HD1 H 1 7.118 0.003 . 1 . . . . A 526 TYR HD1 . 18462 1 1061 . 1 1 55 55 TYR HD2 H 1 7.118 0.003 . 1 . . . . A 526 TYR HD2 . 18462 1 1062 . 1 1 55 55 TYR HE1 H 1 6.753 0.003 . 1 . . . . A 526 TYR HE1 . 18462 1 1063 . 1 1 55 55 TYR HE2 H 1 6.753 0.003 . 1 . . . . A 526 TYR HE2 . 18462 1 1064 . 1 1 55 55 TYR C C 13 176.659 0.100 . 1 . . . . A 526 TYR C . 18462 1 1065 . 1 1 55 55 TYR CA C 13 58.054 0.100 . 1 . . . . A 526 TYR CA . 18462 1 1066 . 1 1 55 55 TYR CB C 13 37.628 0.100 . 1 . . . . A 526 TYR CB . 18462 1 1067 . 1 1 55 55 TYR CD1 C 13 132.614 0.100 . 1 . . . . A 526 TYR CD1 . 18462 1 1068 . 1 1 55 55 TYR CD2 C 13 132.614 0.100 . 1 . . . . A 526 TYR CD2 . 18462 1 1069 . 1 1 55 55 TYR CE1 C 13 116.882 0.100 . 1 . . . . A 526 TYR CE1 . 18462 1 1070 . 1 1 55 55 TYR CE2 C 13 116.882 0.100 . 1 . . . . A 526 TYR CE2 . 18462 1 1071 . 1 1 55 55 TYR N N 15 122.622 0.050 . 1 . . . . A 526 TYR N . 18462 1 1072 . 1 1 56 56 CYS H H 1 8.462 0.003 . 1 . . . . A 527 CYS H . 18462 1 1073 . 1 1 56 56 CYS HA H 1 5.153 0.003 . 1 . . . . A 527 CYS HA . 18462 1 1074 . 1 1 56 56 CYS HB2 H 1 3.271 0.003 . 2 . . . . A 527 CYS HB2 . 18462 1 1075 . 1 1 56 56 CYS HB3 H 1 3.537 0.003 . 2 . . . . A 527 CYS HB3 . 18462 1 1076 . 1 1 56 56 CYS C C 13 175.243 0.100 . 1 . . . . A 527 CYS C . 18462 1 1077 . 1 1 56 56 CYS CA C 13 58.148 0.100 . 1 . . . . A 527 CYS CA . 18462 1 1078 . 1 1 56 56 CYS CB C 13 30.164 0.100 . 1 . . . . A 527 CYS CB . 18462 1 1079 . 1 1 56 56 CYS N N 15 122.873 0.050 . 1 . . . . A 527 CYS N . 18462 1 1080 . 1 1 57 57 GLU H H 1 8.704 0.003 . 1 . . . . A 528 GLU H . 18462 1 1081 . 1 1 57 57 GLU HA H 1 4.453 0.003 . 1 . . . . A 528 GLU HA . 18462 1 1082 . 1 1 57 57 GLU HB2 H 1 2.256 0.003 . 2 . . . . A 528 GLU HB2 . 18462 1 1083 . 1 1 57 57 GLU HB3 H 1 2.133 0.003 . 2 . . . . A 528 GLU HB3 . 18462 1 1084 . 1 1 57 57 GLU HG2 H 1 2.39 0.003 . 2 . . . . A 528 GLU HG2 . 18462 1 1085 . 1 1 57 57 GLU HG3 H 1 2.256 0.003 . 2 . . . . A 528 GLU HG3 . 18462 1 1086 . 1 1 57 57 GLU C C 13 173.484 0.100 . 1 . . . . A 528 GLU C . 18462 1 1087 . 1 1 57 57 GLU CA C 13 57.39 0.100 . 1 . . . . A 528 GLU CA . 18462 1 1088 . 1 1 57 57 GLU CB C 13 29.608 0.100 . 1 . . . . A 528 GLU CB . 18462 1 1089 . 1 1 57 57 GLU CG C 13 35.557 0.100 . 1 . . . . A 528 GLU CG . 18462 1 1090 . 1 1 57 57 GLU N N 15 115.906 0.050 . 1 . . . . A 528 GLU N . 18462 1 1091 . 1 1 58 58 LYS H H 1 8.696 0.003 . 1 . . . . A 529 LYS H . 18462 1 1092 . 1 1 58 58 LYS HA H 1 4.041 0.003 . 1 . . . . A 529 LYS HA . 18462 1 1093 . 1 1 58 58 LYS HB2 H 1 1.536 0.003 . 2 . . . . A 529 LYS HB2 . 18462 1 1094 . 1 1 58 58 LYS HB3 H 1 1.284 0.003 . 2 . . . . A 529 LYS HB3 . 18462 1 1095 . 1 1 58 58 LYS HG2 H 1 1.515 0.003 . 2 . . . . A 529 LYS HG2 . 18462 1 1096 . 1 1 58 58 LYS HG3 H 1 1.284 0.003 . 2 . . . . A 529 LYS HG3 . 18462 1 1097 . 1 1 58 58 LYS HD2 H 1 1.515 0.003 . 2 . . . . A 529 LYS HD2 . 18462 1 1098 . 1 1 58 58 LYS HD3 H 1 1.515 0.003 . 2 . . . . A 529 LYS HD3 . 18462 1 1099 . 1 1 58 58 LYS HE2 H 1 2.963 0.003 . 2 . . . . A 529 LYS HE2 . 18462 1 1100 . 1 1 58 58 LYS HE3 H 1 2.927 0.003 . 2 . . . . A 529 LYS HE3 . 18462 1 1101 . 1 1 58 58 LYS C C 13 176.881 0.100 . 1 . . . . A 529 LYS C . 18462 1 1102 . 1 1 58 58 LYS CA C 13 57.585 0.100 . 1 . . . . A 529 LYS CA . 18462 1 1103 . 1 1 58 58 LYS CB C 13 33.212 0.100 . 1 . . . . A 529 LYS CB . 18462 1 1104 . 1 1 58 58 LYS CG C 13 25.71 0.100 . 1 . . . . A 529 LYS CG . 18462 1 1105 . 1 1 58 58 LYS CD C 13 28.289 0.100 . 1 . . . . A 529 LYS CD . 18462 1 1106 . 1 1 58 58 LYS CE C 13 41.184 0.100 . 1 . . . . A 529 LYS CE . 18462 1 1107 . 1 1 58 58 LYS N N 15 125.068 0.050 . 1 . . . . A 529 LYS N . 18462 1 1108 . 1 1 59 59 VAL H H 1 8.054 0.003 . 1 . . . . A 530 VAL H . 18462 1 1109 . 1 1 59 59 VAL HA H 1 4.541 0.003 . 1 . . . . A 530 VAL HA . 18462 1 1110 . 1 1 59 59 VAL HB H 1 1.861 0.003 . 1 . . . . A 530 VAL HB . 18462 1 1111 . 1 1 59 59 VAL HG11 H 1 0.947 0.003 . 2 . . . . A 530 VAL HG11 . 18462 1 1112 . 1 1 59 59 VAL HG12 H 1 0.947 0.003 . 2 . . . . A 530 VAL HG12 . 18462 1 1113 . 1 1 59 59 VAL HG13 H 1 0.947 0.003 . 2 . . . . A 530 VAL HG13 . 18462 1 1114 . 1 1 59 59 VAL HG21 H 1 0.947 0.003 . 2 . . . . A 530 VAL HG21 . 18462 1 1115 . 1 1 59 59 VAL HG22 H 1 0.947 0.003 . 2 . . . . A 530 VAL HG22 . 18462 1 1116 . 1 1 59 59 VAL HG23 H 1 0.947 0.003 . 2 . . . . A 530 VAL HG23 . 18462 1 1117 . 1 1 59 59 VAL C C 13 175.118 0.100 . 1 . . . . A 530 VAL C . 18462 1 1118 . 1 1 59 59 VAL CA C 13 60.633 0.100 . 1 . . . . A 530 VAL CA . 18462 1 1119 . 1 1 59 59 VAL CB C 13 34.15 0.100 . 1 . . . . A 530 VAL CB . 18462 1 1120 . 1 1 59 59 VAL CG1 C 13 20.562 0.100 . 1 . . . . A 530 VAL CG1 . 18462 1 1121 . 1 1 59 59 VAL CG2 C 13 21.266 0.100 . 1 . . . . A 530 VAL CG2 . 18462 1 1122 . 1 1 59 59 VAL N N 15 119.525 0.050 . 1 . . . . A 530 VAL N . 18462 1 1123 . 1 1 60 60 PHE H H 1 8.167 0.003 . 1 . . . . A 531 PHE H . 18462 1 1124 . 1 1 60 60 PHE HB2 H 1 3.381 0.003 . 2 . . . . A 531 PHE HB2 . 18462 1 1125 . 1 1 60 60 PHE HB3 H 1 3.292 0.003 . 2 . . . . A 531 PHE HB3 . 18462 1 1126 . 1 1 60 60 PHE HD1 H 1 7.251 0.003 . 1 . . . . A 531 PHE HD1 . 18462 1 1127 . 1 1 60 60 PHE HD2 H 1 7.251 0.003 . 1 . . . . A 531 PHE HD2 . 18462 1 1128 . 1 1 60 60 PHE HE1 H 1 6.43 0.003 . 1 . . . . A 531 PHE HE1 . 18462 1 1129 . 1 1 60 60 PHE HE2 H 1 6.43 0.003 . 1 . . . . A 531 PHE HE2 . 18462 1 1130 . 1 1 60 60 PHE C C 13 174.185 0.100 . 1 . . . . A 531 PHE C . 18462 1 1131 . 1 1 60 60 PHE CA C 13 55.586 0.100 . 1 . . . . A 531 PHE CA . 18462 1 1132 . 1 1 60 60 PHE CB C 13 41.184 0.100 . 1 . . . . A 531 PHE CB . 18462 1 1133 . 1 1 60 60 PHE CD1 C 13 130.950 0.100 . 1 . . . . A 531 PHE CD1 . 18462 1 1134 . 1 1 60 60 PHE CD2 C 13 130.950 0.100 . 1 . . . . A 531 PHE CD2 . 18462 1 1135 . 1 1 60 60 PHE CE1 C 13 129.074 0.100 . 1 . . . . A 531 PHE CE1 . 18462 1 1136 . 1 1 60 60 PHE CE2 C 13 129.074 0.100 . 1 . . . . A 531 PHE CE2 . 18462 1 1137 . 1 1 60 60 PHE N N 15 122.568 0.050 . 1 . . . . A 531 PHE N . 18462 1 1138 . 1 1 61 61 PRO HA H 1 4.359 0.003 . 1 . . . . A 532 PRO HA . 18462 1 1139 . 1 1 61 61 PRO HG2 H 1 2.373 0.003 . 2 . . . . A 532 PRO HG2 . 18462 1 1140 . 1 1 61 61 PRO HG3 H 1 1.824 0.003 . 2 . . . . A 532 PRO HG3 . 18462 1 1141 . 1 1 61 61 PRO HD2 H 1 4.255 0.003 . 2 . . . . A 532 PRO HD2 . 18462 1 1142 . 1 1 61 61 PRO HD3 H 1 4.255 0.003 . 2 . . . . A 532 PRO HD3 . 18462 1 1143 . 1 1 61 61 PRO CA C 13 62.216 0.100 . 1 . . . . A 532 PRO CA . 18462 1 1144 . 1 1 61 61 PRO CB C 13 29.93 0.100 . 1 . . . . A 532 PRO CB . 18462 1 1145 . 1 1 61 61 PRO CG C 13 25.71 0.100 . 1 . . . . A 532 PRO CG . 18462 1 1146 . 1 1 61 61 PRO CD C 13 50.525 0.100 . 1 . . . . A 532 PRO CD . 18462 1 1147 . 1 1 62 62 LEU H H 1 6.587 0.003 . 1 . . . . A 533 LEU H . 18462 1 1148 . 1 1 62 62 LEU HA H 1 4.086 0.003 . 1 . . . . A 533 LEU HA . 18462 1 1149 . 1 1 62 62 LEU HB2 H 1 1.509 0.003 . 2 . . . . A 533 LEU HB2 . 18462 1 1150 . 1 1 62 62 LEU HB3 H 1 -0.202 0.003 . 2 . . . . A 533 LEU HB3 . 18462 1 1151 . 1 1 62 62 LEU HG H 1 1.507 0.003 . 1 . . . . A 533 LEU HG . 18462 1 1152 . 1 1 62 62 LEU HD11 H 1 0.542 0.003 . 2 . . . . A 533 LEU HD11 . 18462 1 1153 . 1 1 62 62 LEU HD12 H 1 0.542 0.003 . 2 . . . . A 533 LEU HD12 . 18462 1 1154 . 1 1 62 62 LEU HD13 H 1 0.542 0.003 . 2 . . . . A 533 LEU HD13 . 18462 1 1155 . 1 1 62 62 LEU HD21 H 1 0.475 0.003 . 2 . . . . A 533 LEU HD21 . 18462 1 1156 . 1 1 62 62 LEU HD22 H 1 0.475 0.003 . 2 . . . . A 533 LEU HD22 . 18462 1 1157 . 1 1 62 62 LEU HD23 H 1 0.475 0.003 . 2 . . . . A 533 LEU HD23 . 18462 1 1158 . 1 1 62 62 LEU C C 13 175.091 0.100 . 1 . . . . A 533 LEU C . 18462 1 1159 . 1 1 62 62 LEU CA C 13 55.006 0.100 . 1 . . . . A 533 LEU CA . 18462 1 1160 . 1 1 62 62 LEU CB C 13 43.529 0.100 . 1 . . . . A 533 LEU CB . 18462 1 1161 . 1 1 62 62 LEU CG C 13 30.633 0.100 . 1 . . . . A 533 LEU CG . 18462 1 1162 . 1 1 62 62 LEU CD1 C 13 25.71 0.100 . 1 . . . . A 533 LEU CD1 . 18462 1 1163 . 1 1 62 62 LEU CD2 C 13 21.266 0.100 . 1 . . . . A 533 LEU CD2 . 18462 1 1164 . 1 1 62 62 LEU N N 15 122.335 0.050 . 1 . . . . A 533 LEU N . 18462 1 1165 . 1 1 63 63 ALA H H 1 7.698 0.003 . 1 . . . . A 534 ALA H . 18462 1 1166 . 1 1 63 63 ALA HA H 1 2.993 0.003 . 1 . . . . A 534 ALA HA . 18462 1 1167 . 1 1 63 63 ALA HB1 H 1 1.227 0.003 . 1 . . . . A 534 ALA HB1 . 18462 1 1168 . 1 1 63 63 ALA HB2 H 1 1.227 0.003 . 1 . . . . A 534 ALA HB2 . 18462 1 1169 . 1 1 63 63 ALA HB3 H 1 1.227 0.003 . 1 . . . . A 534 ALA HB3 . 18462 1 1170 . 1 1 63 63 ALA C C 13 175.439 0.100 . 1 . . . . A 534 ALA C . 18462 1 1171 . 1 1 63 63 ALA CA C 13 54.537 0.100 . 1 . . . . A 534 ALA CA . 18462 1 1172 . 1 1 63 63 ALA CB C 13 18.452 0.100 . 1 . . . . A 534 ALA CB . 18462 1 1173 . 1 1 63 63 ALA N N 15 126.722 0.050 . 1 . . . . A 534 ALA N . 18462 1 1174 . 1 1 64 64 GLU H H 1 9.535 0.003 . 1 . . . . A 535 GLU H . 18462 1 1175 . 1 1 64 64 GLU HA H 1 4.675 0.003 . 1 . . . . A 535 GLU HA . 18462 1 1176 . 1 1 64 64 GLU HB2 H 1 1.978 0.003 . 2 . . . . A 535 GLU HB2 . 18462 1 1177 . 1 1 64 64 GLU HB3 H 1 1.978 0.003 . 2 . . . . A 535 GLU HB3 . 18462 1 1178 . 1 1 64 64 GLU HG2 H 1 2.418 0.003 . 2 . . . . A 535 GLU HG2 . 18462 1 1179 . 1 1 64 64 GLU HG3 H 1 2.206 0.003 . 2 . . . . A 535 GLU HG3 . 18462 1 1180 . 1 1 64 64 GLU C C 13 180.126 0.100 . 1 . . . . A 535 GLU C . 18462 1 1181 . 1 1 64 64 GLU CA C 13 58.526 0.100 . 1 . . . . A 535 GLU CA . 18462 1 1182 . 1 1 64 64 GLU N N 15 119.354 0.050 . 1 . . . . A 535 GLU N . 18462 1 1183 . 1 1 65 65 TYR H H 1 6.552 0.003 . 1 . . . . A 536 TYR H . 18462 1 1184 . 1 1 65 65 TYR HA H 1 4.368 0.003 . 1 . . . . A 536 TYR HA . 18462 1 1185 . 1 1 65 65 TYR HB2 H 1 3.408 0.003 . 2 . . . . A 536 TYR HB2 . 18462 1 1186 . 1 1 65 65 TYR HB3 H 1 3.295 0.003 . 2 . . . . A 536 TYR HB3 . 18462 1 1187 . 1 1 65 65 TYR HD1 H 1 7.567 0.003 . 1 . . . . A 536 TYR HD1 . 18462 1 1188 . 1 1 65 65 TYR HD2 H 1 7.567 0.003 . 1 . . . . A 536 TYR HD2 . 18462 1 1189 . 1 1 65 65 TYR HE1 H 1 7.02 0.003 . 1 . . . . A 536 TYR HE1 . 18462 1 1190 . 1 1 65 65 TYR HE2 H 1 7.02 0.003 . 1 . . . . A 536 TYR HE2 . 18462 1 1191 . 1 1 65 65 TYR C C 13 178.004 0.100 . 1 . . . . A 536 TYR C . 18462 1 1192 . 1 1 65 65 TYR CA C 13 56.179 0.100 . 1 . . . . A 536 TYR CA . 18462 1 1193 . 1 1 65 65 TYR CB C 13 35.556 0.100 . 1 . . . . A 536 TYR CB . 18462 1 1194 . 1 1 65 65 TYR CD1 C 13 130.950 0.100 . 1 . . . . A 536 TYR CD1 . 18462 1 1195 . 1 1 65 65 TYR CD2 C 13 130.950 0.100 . 1 . . . . A 536 TYR CD2 . 18462 1 1196 . 1 1 65 65 TYR CE1 C 13 118.523 0.100 . 1 . . . . A 536 TYR CE1 . 18462 1 1197 . 1 1 65 65 TYR CE2 C 13 118.523 0.100 . 1 . . . . A 536 TYR CE2 . 18462 1 1198 . 1 1 65 65 TYR N N 15 114.592 0.050 . 1 . . . . A 536 TYR N . 18462 1 1199 . 1 1 66 66 ARG H H 1 7.016 0.003 . 1 . . . . A 537 ARG H . 18462 1 1200 . 1 1 66 66 ARG HA H 1 3.209 0.003 . 1 . . . . A 537 ARG HA . 18462 1 1201 . 1 1 66 66 ARG HB2 H 1 2.497 0.003 . 2 . . . . A 537 ARG HB2 . 18462 1 1202 . 1 1 66 66 ARG HB3 H 1 1.793 0.003 . 2 . . . . A 537 ARG HB3 . 18462 1 1203 . 1 1 66 66 ARG HG2 H 1 1.793 0.003 . 2 . . . . A 537 ARG HG2 . 18462 1 1204 . 1 1 66 66 ARG HG3 H 1 1.649 0.003 . 2 . . . . A 537 ARG HG3 . 18462 1 1205 . 1 1 66 66 ARG HD2 H 1 3.472 0.003 . 2 . . . . A 537 ARG HD2 . 18462 1 1206 . 1 1 66 66 ARG HD3 H 1 3.112 0.003 . 2 . . . . A 537 ARG HD3 . 18462 1 1207 . 1 1 66 66 ARG HE H 1 8.171 0.003 . 1 . . . . A 537 ARG HE . 18462 1 1208 . 1 1 66 66 ARG C C 13 179.469 0.100 . 1 . . . . A 537 ARG C . 18462 1 1209 . 1 1 66 66 ARG CA C 13 59.131 0.100 . 1 . . . . A 537 ARG CA . 18462 1 1210 . 1 1 66 66 ARG CB C 13 27.179 0.100 . 1 . . . . A 537 ARG CB . 18462 1 1211 . 1 1 66 66 ARG CD C 13 43.294 0.100 . 1 . . . . A 537 ARG CD . 18462 1 1212 . 1 1 66 66 ARG N N 15 119.820 0.050 . 1 . . . . A 537 ARG N . 18462 1 1213 . 1 1 66 66 ARG NE N 15 86.315 0.050 . 1 . . . . A 537 ARG NE . 18462 1 1214 . 1 1 67 67 THR H H 1 8.41 0.003 . 1 . . . . A 538 THR H . 18462 1 1215 . 1 1 67 67 THR HA H 1 3.939 0.003 . 1 . . . . A 538 THR HA . 18462 1 1216 . 1 1 67 67 THR HB H 1 4.502 0.003 . 1 . . . . A 538 THR HB . 18462 1 1217 . 1 1 67 67 THR HG21 H 1 1.366 0.003 . 1 . . . . A 538 THR HG21 . 18462 1 1218 . 1 1 67 67 THR HG22 H 1 1.366 0.003 . 1 . . . . A 538 THR HG22 . 18462 1 1219 . 1 1 67 67 THR HG23 H 1 1.366 0.003 . 1 . . . . A 538 THR HG23 . 18462 1 1220 . 1 1 67 67 THR C C 13 177.538 0.100 . 1 . . . . A 538 THR C . 18462 1 1221 . 1 1 67 67 THR CA C 13 66.026 0.100 . 1 . . . . A 538 THR CA . 18462 1 1222 . 1 1 67 67 THR CB C 13 66.964 0.100 . 1 . . . . A 538 THR CB . 18462 1 1223 . 1 1 67 67 THR CG2 C 13 23.61 0.100 . 1 . . . . A 538 THR CG2 . 18462 1 1224 . 1 1 67 67 THR N N 15 120.080 0.050 . 1 . . . . A 538 THR N . 18462 1 1225 . 1 1 68 68 LYS H H 1 8.012 0.003 . 1 . . . . A 539 LYS H . 18462 1 1226 . 1 1 68 68 LYS HA H 1 4.054 0.003 . 1 . . . . A 539 LYS HA . 18462 1 1227 . 1 1 68 68 LYS HB2 H 1 2.142 0.003 . 2 . . . . A 539 LYS HB2 . 18462 1 1228 . 1 1 68 68 LYS HB3 H 1 1.973 0.003 . 2 . . . . A 539 LYS HB3 . 18462 1 1229 . 1 1 68 68 LYS HG2 H 1 1.694 0.003 . 2 . . . . A 539 LYS HG2 . 18462 1 1230 . 1 1 68 68 LYS HG3 H 1 1.694 0.003 . 2 . . . . A 539 LYS HG3 . 18462 1 1231 . 1 1 68 68 LYS HD2 H 1 1.902 0.003 . 2 . . . . A 539 LYS HD2 . 18462 1 1232 . 1 1 68 68 LYS HD3 H 1 1.804 0.003 . 2 . . . . A 539 LYS HD3 . 18462 1 1233 . 1 1 68 68 LYS HE2 H 1 3.545 0.003 . 2 . . . . A 539 LYS HE2 . 18462 1 1234 . 1 1 68 68 LYS HE3 H 1 3.275 0.003 . 2 . . . . A 539 LYS HE3 . 18462 1 1235 . 1 1 68 68 LYS C C 13 176.139 0.100 . 1 . . . . A 539 LYS C . 18462 1 1236 . 1 1 68 68 LYS CA C 13 57.116 0.100 . 1 . . . . A 539 LYS CA . 18462 1 1237 . 1 1 68 68 LYS CB C 13 31.859 0.100 . 1 . . . . A 539 LYS CB . 18462 1 1238 . 1 1 68 68 LYS CD C 13 27.585 0.100 . 1 . . . . A 539 LYS CD . 18462 1 1239 . 1 1 68 68 LYS CE C 13 42.122 0.100 . 1 . . . . A 539 LYS CE . 18462 1 1240 . 1 1 68 68 LYS N N 15 117.252 0.050 . 1 . . . . A 539 LYS N . 18462 1 1241 . 1 1 69 69 HIS H H 1 7.536 0.003 . 1 . . . . A 540 HIS H . 18462 1 1242 . 1 1 69 69 HIS HA H 1 4.548 0.003 . 1 . . . . A 540 HIS HA . 18462 1 1243 . 1 1 69 69 HIS HB2 H 1 3.316 0.003 . 2 . . . . A 540 HIS HB2 . 18462 1 1244 . 1 1 69 69 HIS HB3 H 1 3.148 0.003 . 2 . . . . A 540 HIS HB3 . 18462 1 1245 . 1 1 69 69 HIS HD2 H 1 7.916 0.003 . 1 . . . . A 540 HIS HD2 . 18462 1 1246 . 1 1 69 69 HIS HE1 H 1 8.092 0.003 . 1 . . . . A 540 HIS HE1 . 18462 1 1247 . 1 1 69 69 HIS C C 13 179.568 0.100 . 1 . . . . A 540 HIS C . 18462 1 1248 . 1 1 69 69 HIS CA C 13 58.758 0.100 . 1 . . . . A 540 HIS CA . 18462 1 1249 . 1 1 69 69 HIS CB C 13 28.26 0.100 . 1 . . . . A 540 HIS CB . 18462 1 1250 . 1 1 69 69 HIS CD2 C 13 137.280 0.100 . 1 . . . . A 540 HIS CD2 . 18462 1 1251 . 1 1 69 69 HIS CE1 C 13 139.390 0.100 . 1 . . . . A 540 HIS CE1 . 18462 1 1252 . 1 1 69 69 HIS N N 15 118.983 0.050 . 1 . . . . A 540 HIS N . 18462 1 1253 . 1 1 69 69 HIS ND1 N 15 173.489 0.050 . 1 . . . . A 540 HIS ND1 . 18462 1 1254 . 1 1 69 69 HIS NE2 N 15 217.210 0.050 . 1 . . . . A 540 HIS NE2 . 18462 1 1255 . 1 1 70 70 GLU H H 1 9.54 0.003 . 1 . . . . A 541 GLU H . 18462 1 1256 . 1 1 70 70 GLU HA H 1 4.215 0.003 . 1 . . . . A 541 GLU HA . 18462 1 1257 . 1 1 70 70 GLU HB2 H 1 2.656 0.003 . 2 . . . . A 541 GLU HB2 . 18462 1 1258 . 1 1 70 70 GLU HB3 H 1 2.355 0.003 . 2 . . . . A 541 GLU HB3 . 18462 1 1259 . 1 1 70 70 GLU HG2 H 1 3.275 0.003 . 2 . . . . A 541 GLU HG2 . 18462 1 1260 . 1 1 70 70 GLU HG3 H 1 3.275 0.003 . 2 . . . . A 541 GLU HG3 . 18462 1 1261 . 1 1 70 70 GLU C C 13 177.829 0.100 . 1 . . . . A 541 GLU C . 18462 1 1262 . 1 1 70 70 GLU CA C 13 61.181 0.100 . 1 . . . . A 541 GLU CA . 18462 1 1263 . 1 1 70 70 GLU CB C 13 29.712 0.100 . 1 . . . . A 541 GLU CB . 18462 1 1264 . 1 1 70 70 GLU N N 15 122.073 0.050 . 1 . . . . A 541 GLU N . 18462 1 1265 . 1 1 71 71 ILE H H 1 8.275 0.003 . 1 . . . . A 542 ILE H . 18462 1 1266 . 1 1 71 71 ILE HA H 1 4.335 0.003 . 1 . . . . A 542 ILE HA . 18462 1 1267 . 1 1 71 71 ILE HB H 1 2.163 0.003 . 1 . . . . A 542 ILE HB . 18462 1 1268 . 1 1 71 71 ILE HG12 H 1 1.796 0.003 . 2 . . . . A 542 ILE HG12 . 18462 1 1269 . 1 1 71 71 ILE HG13 H 1 1.679 0.003 . 2 . . . . A 542 ILE HG13 . 18462 1 1270 . 1 1 71 71 ILE HG21 H 1 1.141 0.003 . 1 . . . . A 542 ILE HG21 . 18462 1 1271 . 1 1 71 71 ILE HG22 H 1 1.141 0.003 . 1 . . . . A 542 ILE HG22 . 18462 1 1272 . 1 1 71 71 ILE HG23 H 1 1.141 0.003 . 1 . . . . A 542 ILE HG23 . 18462 1 1273 . 1 1 71 71 ILE HD11 H 1 1.001 0.003 . 1 . . . . A 542 ILE HD11 . 18462 1 1274 . 1 1 71 71 ILE HD12 H 1 1.001 0.003 . 1 . . . . A 542 ILE HD12 . 18462 1 1275 . 1 1 71 71 ILE HD13 H 1 1.001 0.003 . 1 . . . . A 542 ILE HD13 . 18462 1 1276 . 1 1 71 71 ILE C C 13 179.666 0.100 . 1 . . . . A 542 ILE C . 18462 1 1277 . 1 1 71 71 ILE CA C 13 61.806 0.100 . 1 . . . . A 542 ILE CA . 18462 1 1278 . 1 1 71 71 ILE CB C 13 36.729 0.100 . 1 . . . . A 542 ILE CB . 18462 1 1279 . 1 1 71 71 ILE CG1 C 13 28.664 0.100 . 1 . . . . A 542 ILE CG1 . 18462 1 1280 . 1 1 71 71 ILE CG2 C 13 17.514 0.100 . 1 . . . . A 542 ILE CG2 . 18462 1 1281 . 1 1 71 71 ILE CD1 C 13 11.887 0.100 . 1 . . . . A 542 ILE CD1 . 18462 1 1282 . 1 1 71 71 ILE N N 15 121.307 0.050 . 1 . . . . A 542 ILE N . 18462 1 1283 . 1 1 72 72 HIS H H 1 7.744 0.003 . 1 . . . . A 543 HIS H . 18462 1 1284 . 1 1 72 72 HIS HA H 1 4.257 0.003 . 1 . . . . A 543 HIS HA . 18462 1 1285 . 1 1 72 72 HIS HB2 H 1 3.333 0.003 . 2 . . . . A 543 HIS HB2 . 18462 1 1286 . 1 1 72 72 HIS HB3 H 1 3.333 0.003 . 2 . . . . A 543 HIS HB3 . 18462 1 1287 . 1 1 72 72 HIS HD2 H 1 7.336 0.003 . 1 . . . . A 543 HIS HD2 . 18462 1 1288 . 1 1 72 72 HIS HE1 H 1 8.542 0.003 . 1 . . . . A 543 HIS HE1 . 18462 1 1289 . 1 1 72 72 HIS C C 13 178.283 0.100 . 1 . . . . A 543 HIS C . 18462 1 1290 . 1 1 72 72 HIS CA C 13 58.758 0.100 . 1 . . . . A 543 HIS CA . 18462 1 1291 . 1 1 72 72 HIS CB C 13 26.882 0.100 . 1 . . . . A 543 HIS CB . 18462 1 1292 . 1 1 72 72 HIS CD2 C 13 119.493 0.100 . 1 . . . . A 543 HIS CD2 . 18462 1 1293 . 1 1 72 72 HIS CE1 C 13 135.855 0.100 . 1 . . . . A 543 HIS CE1 . 18462 1 1294 . 1 1 72 72 HIS N N 15 118.514 0.050 . 1 . . . . A 543 HIS N . 18462 1 1295 . 1 1 72 72 HIS ND1 N 15 190.035 0.050 . 1 . . . . A 543 HIS ND1 . 18462 1 1296 . 1 1 72 72 HIS NE2 N 15 177.109 0.050 . 1 . . . . A 543 HIS NE2 . 18462 1 1297 . 1 1 73 73 HIS H H 1 7.537 0.003 . 1 . . . . A 544 HIS H . 18462 1 1298 . 1 1 73 73 HIS HA H 1 4.317 0.003 . 1 . . . . A 544 HIS HA . 18462 1 1299 . 1 1 73 73 HIS HB2 H 1 3.255 0.003 . 2 . . . . A 544 HIS HB2 . 18462 1 1300 . 1 1 73 73 HIS HB3 H 1 2.362 0.003 . 2 . . . . A 544 HIS HB3 . 18462 1 1301 . 1 1 73 73 HIS HD2 H 1 6.761 0.003 . 1 . . . . A 544 HIS HD2 . 18462 1 1302 . 1 1 73 73 HIS HE1 H 1 8.132 0.003 . 1 . . . . A 544 HIS HE1 . 18462 1 1303 . 1 1 73 73 HIS C C 13 178.058 0.100 . 1 . . . . A 544 HIS C . 18462 1 1304 . 1 1 73 73 HIS CA C 13 58.054 0.100 . 1 . . . . A 544 HIS CA . 18462 1 1305 . 1 1 73 73 HIS CB C 13 36.882 0.100 . 1 . . . . A 544 HIS CB . 18462 1 1306 . 1 1 73 73 HIS CD2 C 13 127.902 0.100 . 1 . . . . A 544 HIS CD2 . 18462 1 1307 . 1 1 73 73 HIS CE1 C 13 139.390 0.100 . 1 . . . . A 544 HIS CE1 . 18462 1 1308 . 1 1 73 73 HIS N N 15 115.805 0.050 . 1 . . . . A 544 HIS N . 18462 1 1309 . 1 1 73 73 HIS ND1 N 15 172.212 0.050 . 1 . . . . A 544 HIS ND1 . 18462 1 1310 . 1 1 73 73 HIS NE2 N 15 215.603 0.050 . 1 . . . . A 544 HIS NE2 . 18462 1 1311 . 1 1 74 74 THR H H 1 7.991 0.003 . 1 . . . . A 545 THR H . 18462 1 1312 . 1 1 74 74 THR HA H 1 4.184 0.003 . 1 . . . . A 545 THR HA . 18462 1 1313 . 1 1 74 74 THR HB H 1 4.404 0.003 . 1 . . . . A 545 THR HB . 18462 1 1314 . 1 1 74 74 THR HG21 H 1 1.228 0.003 . 1 . . . . A 545 THR HG21 . 18462 1 1315 . 1 1 74 74 THR HG22 H 1 1.228 0.003 . 1 . . . . A 545 THR HG22 . 18462 1 1316 . 1 1 74 74 THR HG23 H 1 1.228 0.003 . 1 . . . . A 545 THR HG23 . 18462 1 1317 . 1 1 74 74 THR C C 13 177.277 0.100 . 1 . . . . A 545 THR C . 18462 1 1318 . 1 1 74 74 THR CA C 13 62.509 0.100 . 1 . . . . A 545 THR CA . 18462 1 1319 . 1 1 74 74 THR CB C 13 68.839 0.100 . 1 . . . . A 545 THR CB . 18462 1 1320 . 1 1 74 74 THR CG2 C 13 21.266 0.100 . 1 . . . . A 545 THR CG2 . 18462 1 1321 . 1 1 74 74 THR N N 15 109.469 0.050 . 1 . . . . A 545 THR N . 18462 1 1322 . 1 1 75 75 GLY H H 1 8.53 0.003 . 1 . . . . A 546 GLY H . 18462 1 1323 . 1 1 75 75 GLY HA2 H 1 4.029 0.003 . 2 . . . . A 546 GLY HA2 . 18462 1 1324 . 1 1 75 75 GLY HA3 H 1 3.664 0.003 . 2 . . . . A 546 GLY HA3 . 18462 1 1325 . 1 1 75 75 GLY C C 13 177.501 0.100 . 1 . . . . A 546 GLY C . 18462 1 1326 . 1 1 75 75 GLY CA C 13 44.935 0.100 . 1 . . . . A 546 GLY CA . 18462 1 1327 . 1 1 75 75 GLY N N 15 113.407 0.050 . 1 . . . . A 546 GLY N . 18462 1 1328 . 1 1 76 76 GLU H H 1 7.301 0.003 . 1 . . . . A 547 GLU H . 18462 1 1329 . 1 1 76 76 GLU HA H 1 3.913 0.003 . 1 . . . . A 547 GLU HA . 18462 1 1330 . 1 1 76 76 GLU HB2 H 1 1.975 0.003 . 2 . . . . A 547 GLU HB2 . 18462 1 1331 . 1 1 76 76 GLU HB3 H 1 1.82 0.003 . 2 . . . . A 547 GLU HB3 . 18462 1 1332 . 1 1 76 76 GLU HG2 H 1 2.338 0.003 . 2 . . . . A 547 GLU HG2 . 18462 1 1333 . 1 1 76 76 GLU HG3 H 1 2.007 0.003 . 2 . . . . A 547 GLU HG3 . 18462 1 1334 . 1 1 76 76 GLU C C 13 173.687 0.100 . 1 . . . . A 547 GLU C . 18462 1 1335 . 1 1 76 76 GLU CA C 13 56.413 0.100 . 1 . . . . A 547 GLU CA . 18462 1 1336 . 1 1 76 76 GLU CB C 13 29.123 0.100 . 1 . . . . A 547 GLU CB . 18462 1 1337 . 1 1 76 76 GLU CG C 13 34.854 0.100 . 1 . . . . A 547 GLU CG . 18462 1 1338 . 1 1 76 76 GLU N N 15 123.901 0.050 . 1 . . . . A 547 GLU N . 18462 1 1339 . 1 1 77 77 ARG H H 1 8.752 0.003 . 1 . . . . A 548 ARG H . 18462 1 1340 . 1 1 77 77 ARG HA H 1 4.444 0.003 . 1 . . . . A 548 ARG HA . 18462 1 1341 . 1 1 77 77 ARG HB2 H 1 1.209 0.003 . 2 . . . . A 548 ARG HB2 . 18462 1 1342 . 1 1 77 77 ARG HB3 H 1 1.209 0.003 . 2 . . . . A 548 ARG HB3 . 18462 1 1343 . 1 1 77 77 ARG HG2 H 1 1.82 0.003 . 2 . . . . A 548 ARG HG2 . 18462 1 1344 . 1 1 77 77 ARG HG3 H 1 1.057 0.003 . 2 . . . . A 548 ARG HG3 . 18462 1 1345 . 1 1 77 77 ARG HD2 H 1 2.975 0.003 . 2 . . . . A 548 ARG HD2 . 18462 1 1346 . 1 1 77 77 ARG HD3 H 1 2.975 0.003 . 2 . . . . A 548 ARG HD3 . 18462 1 1347 . 1 1 77 77 ARG HE H 1 7.077 0.003 . 1 . . . . A 548 ARG HE . 18462 1 1348 . 1 1 77 77 ARG C C 13 175.180 0.100 . 1 . . . . A 548 ARG C . 18462 1 1349 . 1 1 77 77 ARG CA C 13 55.059 0.100 . 1 . . . . A 548 ARG CA . 18462 1 1350 . 1 1 77 77 ARG CB C 13 29.227 0.100 . 1 . . . . A 548 ARG CB . 18462 1 1351 . 1 1 77 77 ARG CG C 13 26.882 0.100 . 1 . . . . A 548 ARG CG . 18462 1 1352 . 1 1 77 77 ARG CD C 13 43.06 0.100 . 1 . . . . A 548 ARG CD . 18462 1 1353 . 1 1 77 77 ARG N N 15 128.505 0.050 . 1 . . . . A 548 ARG N . 18462 1 1354 . 1 1 77 77 ARG NE N 15 86.065 0.050 . 1 . . . . A 548 ARG NE . 18462 1 1355 . 1 1 78 78 ARG H H 1 9.44 0.003 . 1 . . . . A 549 ARG H . 18462 1 1356 . 1 1 78 78 ARG HA H 1 4.205 0.003 . 1 . . . . A 549 ARG HA . 18462 1 1357 . 1 1 78 78 ARG HB2 H 1 2.422 0.003 . 2 . . . . A 549 ARG HB2 . 18462 1 1358 . 1 1 78 78 ARG HB3 H 1 1.426 0.003 . 2 . . . . A 549 ARG HB3 . 18462 1 1359 . 1 1 78 78 ARG HG2 H 1 1.695 0.003 . 2 . . . . A 549 ARG HG2 . 18462 1 1360 . 1 1 78 78 ARG HG3 H 1 1.695 0.003 . 2 . . . . A 549 ARG HG3 . 18462 1 1361 . 1 1 78 78 ARG HD2 H 1 3.161 0.003 . 2 . . . . A 549 ARG HD2 . 18462 1 1362 . 1 1 78 78 ARG HD3 H 1 3.161 0.003 . 2 . . . . A 549 ARG HD3 . 18462 1 1363 . 1 1 78 78 ARG HE H 1 9.452 0.003 . 1 . . . . A 549 ARG HE . 18462 1 1364 . 1 1 78 78 ARG C C 13 175.850 0.100 . 1 . . . . A 549 ARG C . 18462 1 1365 . 1 1 78 78 ARG CA C 13 57.35 0.100 . 1 . . . . A 549 ARG CA . 18462 1 1366 . 1 1 78 78 ARG CB C 13 32.98 0.100 . 1 . . . . A 549 ARG CB . 18462 1 1367 . 1 1 78 78 ARG N N 15 121.815 0.050 . 1 . . . . A 549 ARG N . 18462 1 1368 . 1 1 78 78 ARG NE N 15 81.815 0.050 . 1 . . . . A 549 ARG NE . 18462 1 1369 . 1 1 79 79 TYR H H 1 8.287 0.003 . 1 . . . . A 550 TYR H . 18462 1 1370 . 1 1 79 79 TYR HB2 H 1 3.041 0.003 . 2 . . . . A 550 TYR HB2 . 18462 1 1371 . 1 1 79 79 TYR HB3 H 1 2.583 0.003 . 2 . . . . A 550 TYR HB3 . 18462 1 1372 . 1 1 79 79 TYR HE1 H 1 6.855 0.003 . 1 . . . . A 550 TYR HE1 . 18462 1 1373 . 1 1 79 79 TYR HE2 H 1 6.855 0.003 . 1 . . . . A 550 TYR HE2 . 18462 1 1374 . 1 1 79 79 TYR C C 13 176.129 0.100 . 1 . . . . A 550 TYR C . 18462 1 1375 . 1 1 79 79 TYR CA C 13 58.169 0.100 . 1 . . . . A 550 TYR CA . 18462 1 1376 . 1 1 79 79 TYR CB C 13 38.994 0.100 . 1 . . . . A 550 TYR CB . 18462 1 1377 . 1 1 79 79 TYR CE1 C 13 131.419 0.100 . 1 . . . . A 550 TYR CE1 . 18462 1 1378 . 1 1 79 79 TYR CE2 C 13 131.419 0.100 . 1 . . . . A 550 TYR CE2 . 18462 1 1379 . 1 1 79 79 TYR N N 15 116.087 0.050 . 1 . . . . A 550 TYR N . 18462 1 1380 . 1 1 80 80 GLN H H 1 9.656 0.003 . 1 . . . . A 551 GLN H . 18462 1 1381 . 1 1 80 80 GLN HA H 1 5.275 0.003 . 1 . . . . A 551 GLN HA . 18462 1 1382 . 1 1 80 80 GLN HB2 H 1 2.051 0.003 . 2 . . . . A 551 GLN HB2 . 18462 1 1383 . 1 1 80 80 GLN HB3 H 1 1.942 0.003 . 2 . . . . A 551 GLN HB3 . 18462 1 1384 . 1 1 80 80 GLN HG2 H 1 2.331 0.003 . 2 . . . . A 551 GLN HG2 . 18462 1 1385 . 1 1 80 80 GLN HG3 H 1 2.276 0.003 . 2 . . . . A 551 GLN HG3 . 18462 1 1386 . 1 1 80 80 GLN HE21 H 1 7.661 0.003 . 2 . . . . A 551 GLN HE21 . 18462 1 1387 . 1 1 80 80 GLN HE22 H 1 7.001 0.003 . 2 . . . . A 551 GLN HE22 . 18462 1 1388 . 1 1 80 80 GLN C C 13 175.080 0.100 . 1 . . . . A 551 GLN C . 18462 1 1389 . 1 1 80 80 GLN CA C 13 53.61 0.100 . 1 . . . . A 551 GLN CA . 18462 1 1390 . 1 1 80 80 GLN CB C 13 31.152 0.100 . 1 . . . . A 551 GLN CB . 18462 1 1391 . 1 1 80 80 GLN N N 15 125.096 0.050 . 1 . . . . A 551 GLN N . 18462 1 1392 . 1 1 80 80 GLN NE2 N 15 112.052 0.050 . 1 . . . . A 551 GLN NE2 . 18462 1 1393 . 1 1 81 81 CYS H H 1 9.427 0.003 . 1 . . . . A 552 CYS H . 18462 1 1394 . 1 1 81 81 CYS HA H 1 4.584 0.003 . 1 . . . . A 552 CYS HA . 18462 1 1395 . 1 1 81 81 CYS HB2 H 1 3.075 0.003 . 2 . . . . A 552 CYS HB2 . 18462 1 1396 . 1 1 81 81 CYS HB3 H 1 3.582 0.003 . 2 . . . . A 552 CYS HB3 . 18462 1 1397 . 1 1 81 81 CYS C C 13 175.231 0.100 . 1 . . . . A 552 CYS C . 18462 1 1398 . 1 1 81 81 CYS CA C 13 59.461 0.100 . 1 . . . . A 552 CYS CA . 18462 1 1399 . 1 1 81 81 CYS CB C 13 29.695 0.100 . 1 . . . . A 552 CYS CB . 18462 1 1400 . 1 1 81 81 CYS N N 15 128.697 0.050 . 1 . . . . A 552 CYS N . 18462 1 1401 . 1 1 82 82 LEU H H 1 8.632 0.003 . 1 . . . . A 553 LEU H . 18462 1 1402 . 1 1 82 82 LEU HA H 1 4.396 0.003 . 1 . . . . A 553 LEU HA . 18462 1 1403 . 1 1 82 82 LEU HB2 H 1 1.589 0.003 . 2 . . . . A 553 LEU HB2 . 18462 1 1404 . 1 1 82 82 LEU HB3 H 1 1.545 0.003 . 2 . . . . A 553 LEU HB3 . 18462 1 1405 . 1 1 82 82 LEU HG H 1 1.428 0.003 . 1 . . . . A 553 LEU HG . 18462 1 1406 . 1 1 82 82 LEU HD11 H 1 0.757 0.003 . 2 . . . . A 553 LEU HD11 . 18462 1 1407 . 1 1 82 82 LEU HD12 H 1 0.757 0.003 . 2 . . . . A 553 LEU HD12 . 18462 1 1408 . 1 1 82 82 LEU HD13 H 1 0.757 0.003 . 2 . . . . A 553 LEU HD13 . 18462 1 1409 . 1 1 82 82 LEU HD21 H 1 0.757 0.003 . 2 . . . . A 553 LEU HD21 . 18462 1 1410 . 1 1 82 82 LEU HD22 H 1 0.757 0.003 . 2 . . . . A 553 LEU HD22 . 18462 1 1411 . 1 1 82 82 LEU HD23 H 1 0.757 0.003 . 2 . . . . A 553 LEU HD23 . 18462 1 1412 . 1 1 82 82 LEU C C 13 177.402 0.100 . 1 . . . . A 553 LEU C . 18462 1 1413 . 1 1 82 82 LEU CA C 13 55.71 0.100 . 1 . . . . A 553 LEU CA . 18462 1 1414 . 1 1 82 82 LEU CB C 13 40.246 0.100 . 1 . . . . A 553 LEU CB . 18462 1 1415 . 1 1 82 82 LEU CG C 13 26.413 0.100 . 1 . . . . A 553 LEU CG . 18462 1 1416 . 1 1 82 82 LEU CD1 C 13 21.5 0.100 . 1 . . . . A 553 LEU CD1 . 18462 1 1417 . 1 1 82 82 LEU CD2 C 13 24.772 0.100 . 1 . . . . A 553 LEU CD2 . 18462 1 1418 . 1 1 82 82 LEU N N 15 130.168 0.050 . 1 . . . . A 553 LEU N . 18462 1 1419 . 1 1 83 83 ALA H H 1 8.847 0.003 . 1 . . . . A 554 ALA H . 18462 1 1420 . 1 1 83 83 ALA HA H 1 4.295 0.003 . 1 . . . . A 554 ALA HA . 18462 1 1421 . 1 1 83 83 ALA HB1 H 1 0.75 0.003 . 1 . . . . A 554 ALA HB1 . 18462 1 1422 . 1 1 83 83 ALA HB2 H 1 0.75 0.003 . 1 . . . . A 554 ALA HB2 . 18462 1 1423 . 1 1 83 83 ALA HB3 H 1 0.75 0.003 . 1 . . . . A 554 ALA HB3 . 18462 1 1424 . 1 1 83 83 ALA C C 13 177.657 0.100 . 1 . . . . A 554 ALA C . 18462 1 1425 . 1 1 83 83 ALA CA C 13 53.61 0.100 . 1 . . . . A 554 ALA CA . 18462 1 1426 . 1 1 83 83 ALA CB C 13 16.577 0.100 . 1 . . . . A 554 ALA CB . 18462 1 1427 . 1 1 83 83 ALA N N 15 125.048 0.050 . 1 . . . . A 554 ALA N . 18462 1 1428 . 1 1 84 84 CYS H H 1 8.146 0.003 . 1 . . . . A 555 CYS H . 18462 1 1429 . 1 1 84 84 CYS HA H 1 5.299 0.003 . 1 . . . . A 555 CYS HA . 18462 1 1430 . 1 1 84 84 CYS HB2 H 1 3.065 0.003 . 2 . . . . A 555 CYS HB2 . 18462 1 1431 . 1 1 84 84 CYS HB3 H 1 3.549 0.003 . 2 . . . . A 555 CYS HB3 . 18462 1 1432 . 1 1 84 84 CYS C C 13 178.854 0.100 . 1 . . . . A 555 CYS C . 18462 1 1433 . 1 1 84 84 CYS CA C 13 57.82 0.100 . 1 . . . . A 555 CYS CA . 18462 1 1434 . 1 1 84 84 CYS CB C 13 31.665 0.100 . 1 . . . . A 555 CYS CB . 18462 1 1435 . 1 1 84 84 CYS N N 15 113.388 0.050 . 1 . . . . A 555 CYS N . 18462 1 1436 . 1 1 85 85 GLY H H 1 8.104 0.003 . 1 . . . . A 556 GLY H . 18462 1 1437 . 1 1 85 85 GLY HA2 H 1 4.413 0.003 . 2 . . . . A 556 GLY HA2 . 18462 1 1438 . 1 1 85 85 GLY HA3 H 1 3.962 0.003 . 2 . . . . A 556 GLY HA3 . 18462 1 1439 . 1 1 85 85 GLY C C 13 176.084 0.100 . 1 . . . . A 556 GLY C . 18462 1 1440 . 1 1 85 85 GLY CA C 13 45.639 0.100 . 1 . . . . A 556 GLY CA . 18462 1 1441 . 1 1 85 85 GLY N N 15 114.264 0.050 . 1 . . . . A 556 GLY N . 18462 1 1442 . 1 1 86 86 LYS H H 1 8.043 0.003 . 1 . . . . A 557 LYS H . 18462 1 1443 . 1 1 86 86 LYS HA H 1 4.11 0.003 . 1 . . . . A 557 LYS HA . 18462 1 1444 . 1 1 86 86 LYS HB2 H 1 1.499 0.003 . 2 . . . . A 557 LYS HB2 . 18462 1 1445 . 1 1 86 86 LYS HB3 H 1 1.39 0.003 . 2 . . . . A 557 LYS HB3 . 18462 1 1446 . 1 1 86 86 LYS HG2 H 1 1.668 0.003 . 2 . . . . A 557 LYS HG2 . 18462 1 1447 . 1 1 86 86 LYS HG3 H 1 1.245 0.003 . 2 . . . . A 557 LYS HG3 . 18462 1 1448 . 1 1 86 86 LYS HD2 H 1 1.583 0.003 . 2 . . . . A 557 LYS HD2 . 18462 1 1449 . 1 1 86 86 LYS HD3 H 1 1.583 0.003 . 2 . . . . A 557 LYS HD3 . 18462 1 1450 . 1 1 86 86 LYS HE2 H 1 3.065 0.003 . 2 . . . . A 557 LYS HE2 . 18462 1 1451 . 1 1 86 86 LYS HE3 H 1 3.065 0.003 . 2 . . . . A 557 LYS HE3 . 18462 1 1452 . 1 1 86 86 LYS C C 13 174.300 0.100 . 1 . . . . A 557 LYS C . 18462 1 1453 . 1 1 86 86 LYS CA C 13 57.585 0.100 . 1 . . . . A 557 LYS CA . 18462 1 1454 . 1 1 86 86 LYS CB C 13 33.447 0.100 . 1 . . . . A 557 LYS CB . 18462 1 1455 . 1 1 86 86 LYS CG C 13 26.179 0.100 . 1 . . . . A 557 LYS CG . 18462 1 1456 . 1 1 86 86 LYS CD C 13 28.758 0.100 . 1 . . . . A 557 LYS CD . 18462 1 1457 . 1 1 86 86 LYS CE C 13 41.184 0.100 . 1 . . . . A 557 LYS CE . 18462 1 1458 . 1 1 86 86 LYS N N 15 123.318 0.050 . 1 . . . . A 557 LYS N . 18462 1 1459 . 1 1 87 87 SER H H 1 7.864 0.003 . 1 . . . . A 558 SER H . 18462 1 1460 . 1 1 87 87 SER HA H 1 5.661 0.003 . 1 . . . . A 558 SER HA . 18462 1 1461 . 1 1 87 87 SER HB2 H 1 3.585 0.003 . 2 . . . . A 558 SER HB2 . 18462 1 1462 . 1 1 87 87 SER HB3 H 1 3.497 0.003 . 2 . . . . A 558 SER HB3 . 18462 1 1463 . 1 1 87 87 SER C C 13 174.321 0.100 . 1 . . . . A 558 SER C . 18462 1 1464 . 1 1 87 87 SER CA C 13 56.179 0.100 . 1 . . . . A 558 SER CA . 18462 1 1465 . 1 1 87 87 SER CB C 13 65.088 0.100 . 1 . . . . A 558 SER CB . 18462 1 1466 . 1 1 87 87 SER N N 15 115.947 0.050 . 1 . . . . A 558 SER N . 18462 1 1467 . 1 1 88 88 PHE H H 1 9.488 0.003 . 1 . . . . A 559 PHE H . 18462 1 1468 . 1 1 88 88 PHE HA H 1 4.781 0.003 . 1 . . . . A 559 PHE HA . 18462 1 1469 . 1 1 88 88 PHE HB2 H 1 3.312 0.003 . 2 . . . . A 559 PHE HB2 . 18462 1 1470 . 1 1 88 88 PHE HB3 H 1 2.756 0.003 . 2 . . . . A 559 PHE HB3 . 18462 1 1471 . 1 1 88 88 PHE HD1 H 1 7.133 0.003 . 1 . . . . A 559 PHE HD1 . 18462 1 1472 . 1 1 88 88 PHE HD2 H 1 7.133 0.003 . 1 . . . . A 559 PHE HD2 . 18462 1 1473 . 1 1 88 88 PHE HE1 H 1 6.894 0.003 . 1 . . . . A 559 PHE HE1 . 18462 1 1474 . 1 1 88 88 PHE HE2 H 1 6.894 0.003 . 1 . . . . A 559 PHE HE2 . 18462 1 1475 . 1 1 88 88 PHE HZ H 1 5.849 0.003 . 1 . . . . A 559 PHE HZ . 18462 1 1476 . 1 1 88 88 PHE C C 13 173.632 0.100 . 1 . . . . A 559 PHE C . 18462 1 1477 . 1 1 88 88 PHE CA C 13 56.687 0.100 . 1 . . . . A 559 PHE CA . 18462 1 1478 . 1 1 88 88 PHE CB C 13 44.232 0.100 . 1 . . . . A 559 PHE CB . 18462 1 1479 . 1 1 88 88 PHE CD1 C 13 131.149 0.100 . 1 . . . . A 559 PHE CD1 . 18462 1 1480 . 1 1 88 88 PHE CD2 C 13 131.149 0.100 . 1 . . . . A 559 PHE CD2 . 18462 1 1481 . 1 1 88 88 PHE CE1 C 13 130.950 0.100 . 1 . . . . A 559 PHE CE1 . 18462 1 1482 . 1 1 88 88 PHE CE2 C 13 130.950 0.100 . 1 . . . . A 559 PHE CE2 . 18462 1 1483 . 1 1 88 88 PHE CZ C 13 128.136 0.100 . 1 . . . . A 559 PHE CZ . 18462 1 1484 . 1 1 88 88 PHE N N 15 117.815 0.050 . 1 . . . . A 559 PHE N . 18462 1 1485 . 1 1 89 89 ILE H H 1 9.306 0.003 . 1 . . . . A 560 ILE H . 18462 1 1486 . 1 1 89 89 ILE HA H 1 4.47 0.003 . 1 . . . . A 560 ILE HA . 18462 1 1487 . 1 1 89 89 ILE HB H 1 1.843 0.003 . 1 . . . . A 560 ILE HB . 18462 1 1488 . 1 1 89 89 ILE HG12 H 1 1.633 0.003 . 2 . . . . A 560 ILE HG12 . 18462 1 1489 . 1 1 89 89 ILE HG13 H 1 1.262 0.003 . 2 . . . . A 560 ILE HG13 . 18462 1 1490 . 1 1 89 89 ILE HG21 H 1 1.03 0.003 . 1 . . . . A 560 ILE HG21 . 18462 1 1491 . 1 1 89 89 ILE HG22 H 1 1.03 0.003 . 1 . . . . A 560 ILE HG22 . 18462 1 1492 . 1 1 89 89 ILE HG23 H 1 1.03 0.003 . 1 . . . . A 560 ILE HG23 . 18462 1 1493 . 1 1 89 89 ILE HD11 H 1 0.785 0.003 . 1 . . . . A 560 ILE HD11 . 18462 1 1494 . 1 1 89 89 ILE HD12 H 1 0.785 0.003 . 1 . . . . A 560 ILE HD12 . 18462 1 1495 . 1 1 89 89 ILE HD13 H 1 0.785 0.003 . 1 . . . . A 560 ILE HD13 . 18462 1 1496 . 1 1 89 89 ILE C C 13 175.986 0.100 . 1 . . . . A 560 ILE C . 18462 1 1497 . 1 1 89 89 ILE CA C 13 62.04 0.100 . 1 . . . . A 560 ILE CA . 18462 1 1498 . 1 1 89 89 ILE CB C 13 39.308 0.100 . 1 . . . . A 560 ILE CB . 18462 1 1499 . 1 1 89 89 ILE CG1 C 13 28.054 0.100 . 1 . . . . A 560 ILE CG1 . 18462 1 1500 . 1 1 89 89 ILE CG2 C 13 16.811 0.100 . 1 . . . . A 560 ILE CG2 . 18462 1 1501 . 1 1 89 89 ILE CD1 C 13 13.763 0.100 . 1 . . . . A 560 ILE CD1 . 18462 1 1502 . 1 1 89 89 ILE N N 15 118.092 0.050 . 1 . . . . A 560 ILE N . 18462 1 1503 . 1 1 90 90 ASN H H 1 7.387 0.003 . 1 . . . . A 561 ASN H . 18462 1 1504 . 1 1 90 90 ASN HA H 1 4.683 0.003 . 1 . . . . A 561 ASN HA . 18462 1 1505 . 1 1 90 90 ASN HB2 H 1 3.329 0.003 . 2 . . . . A 561 ASN HB2 . 18462 1 1506 . 1 1 90 90 ASN HB3 H 1 3.014 0.003 . 2 . . . . A 561 ASN HB3 . 18462 1 1507 . 1 1 90 90 ASN HD21 H 1 7.668 0.003 . 2 . . . . A 561 ASN HD21 . 18462 1 1508 . 1 1 90 90 ASN HD22 H 1 5.896 0.003 . 2 . . . . A 561 ASN HD22 . 18462 1 1509 . 1 1 90 90 ASN C C 13 175.350 0.100 . 1 . . . . A 561 ASN C . 18462 1 1510 . 1 1 90 90 ASN CA C 13 50.797 0.100 . 1 . . . . A 561 ASN CA . 18462 1 1511 . 1 1 90 90 ASN CB C 13 39.777 0.100 . 1 . . . . A 561 ASN CB . 18462 1 1512 . 1 1 90 90 ASN N N 15 114.751 0.050 . 1 . . . . A 561 ASN N . 18462 1 1513 . 1 1 90 90 ASN ND2 N 15 110.044 0.050 . 1 . . . . A 561 ASN ND2 . 18462 1 1514 . 1 1 91 91 TYR H H 1 8.243 0.003 . 1 . . . . A 562 TYR H . 18462 1 1515 . 1 1 91 91 TYR HB2 H 1 2.768 0.003 . 2 . . . . A 562 TYR HB2 . 18462 1 1516 . 1 1 91 91 TYR HB3 H 1 2.688 0.003 . 2 . . . . A 562 TYR HB3 . 18462 1 1517 . 1 1 91 91 TYR HD1 H 1 6.934 0.003 . 1 . . . . A 562 TYR HD1 . 18462 1 1518 . 1 1 91 91 TYR HD2 H 1 6.834 0.003 . 1 . . . . A 562 TYR HD2 . 18462 1 1519 . 1 1 91 91 TYR HE1 H 1 7.117 0.003 . 1 . . . . A 562 TYR HE1 . 18462 1 1520 . 1 1 91 91 TYR HE2 H 1 7.117 0.003 . 1 . . . . A 562 TYR HE2 . 18462 1 1521 . 1 1 91 91 TYR C C 13 172.730 0.100 . 1 . . . . A 562 TYR C . 18462 1 1522 . 1 1 91 91 TYR CA C 13 59.907 0.100 . 1 . . . . A 562 TYR CA . 18462 1 1523 . 1 1 91 91 TYR CB C 13 38.48 0.100 . 1 . . . . A 562 TYR CB . 18462 1 1524 . 1 1 91 91 TYR CD1 C 13 121.571 0.100 . 1 . . . . A 562 TYR CD1 . 18462 1 1525 . 1 1 91 91 TYR CD2 C 13 121.571 0.100 . 1 . . . . A 562 TYR CD2 . 18462 1 1526 . 1 1 91 91 TYR CE1 C 13 118.289 0.100 . 1 . . . . A 562 TYR CE1 . 18462 1 1527 . 1 1 91 91 TYR CE2 C 13 118.289 0.100 . 1 . . . . A 562 TYR CE2 . 18462 1 1528 . 1 1 91 91 TYR N N 15 118.833 0.050 . 1 . . . . A 562 TYR N . 18462 1 1529 . 1 1 92 92 GLN H H 1 8.524 0.003 . 1 . . . . A 563 GLN H . 18462 1 1530 . 1 1 92 92 GLN HA H 1 3.72 0.003 . 1 . . . . A 563 GLN HA . 18462 1 1531 . 1 1 92 92 GLN HB2 H 1 1.953 0.003 . 2 . . . . A 563 GLN HB2 . 18462 1 1532 . 1 1 92 92 GLN HB3 H 1 1.622 0.003 . 2 . . . . A 563 GLN HB3 . 18462 1 1533 . 1 1 92 92 GLN HG2 H 1 3.064 0.003 . 2 . . . . A 563 GLN HG2 . 18462 1 1534 . 1 1 92 92 GLN HG3 H 1 2.496 0.003 . 2 . . . . A 563 GLN HG3 . 18462 1 1535 . 1 1 92 92 GLN HE21 H 1 7.172 0.003 . 2 . . . . A 563 GLN HE21 . 18462 1 1536 . 1 1 92 92 GLN HE22 H 1 6.96 0.003 . 2 . . . . A 563 GLN HE22 . 18462 1 1537 . 1 1 92 92 GLN C C 13 176.326 0.100 . 1 . . . . A 563 GLN C . 18462 1 1538 . 1 1 92 92 GLN CA C 13 61.102 0.100 . 1 . . . . A 563 GLN CA . 18462 1 1539 . 1 1 92 92 GLN CB C 13 25.45 0.100 . 1 . . . . A 563 GLN CB . 18462 1 1540 . 1 1 92 92 GLN CG C 13 34.15 0.100 . 1 . . . . A 563 GLN CG . 18462 1 1541 . 1 1 92 92 GLN N N 15 119.525 0.050 . 1 . . . . A 563 GLN N . 18462 1 1542 . 1 1 92 92 GLN NE2 N 15 116.019 0.050 . 1 . . . . A 563 GLN NE2 . 18462 1 1543 . 1 1 93 93 PHE H H 1 8.904 0.003 . 1 . . . . A 564 PHE H . 18462 1 1544 . 1 1 93 93 PHE HA H 1 4.427 0.003 . 1 . . . . A 564 PHE HA . 18462 1 1545 . 1 1 93 93 PHE HB2 H 1 3.357 0.003 . 2 . . . . A 564 PHE HB2 . 18462 1 1546 . 1 1 93 93 PHE HB3 H 1 3.031 0.003 . 2 . . . . A 564 PHE HB3 . 18462 1 1547 . 1 1 93 93 PHE HD1 H 1 7.527 0.003 . 1 . . . . A 564 PHE HD1 . 18462 1 1548 . 1 1 93 93 PHE HD2 H 1 7.527 0.003 . 1 . . . . A 564 PHE HD2 . 18462 1 1549 . 1 1 93 93 PHE HE1 H 1 7.606 0.003 . 1 . . . . A 564 PHE HE1 . 18462 1 1550 . 1 1 93 93 PHE HE2 H 1 7.606 0.003 . 1 . . . . A 564 PHE HE2 . 18462 1 1551 . 1 1 93 93 PHE HZ H 1 7.69 0.003 . 1 . . . . A 564 PHE HZ . 18462 1 1552 . 1 1 93 93 PHE C C 13 179.429 0.100 . 1 . . . . A 564 PHE C . 18462 1 1553 . 1 1 93 93 PHE CA C 13 59.461 0.100 . 1 . . . . A 564 PHE CA . 18462 1 1554 . 1 1 93 93 PHE CB C 13 38.488 0.100 . 1 . . . . A 564 PHE CB . 18462 1 1555 . 1 1 93 93 PHE CD1 C 13 130.930 0.100 . 1 . . . . A 564 PHE CD1 . 18462 1 1556 . 1 1 93 93 PHE CD2 C 13 130.930 0.100 . 1 . . . . A 564 PHE CD2 . 18462 1 1557 . 1 1 93 93 PHE CE1 C 13 130.715 0.100 . 1 . . . . A 564 PHE CE1 . 18462 1 1558 . 1 1 93 93 PHE CE2 C 13 130.715 0.100 . 1 . . . . A 564 PHE CE2 . 18462 1 1559 . 1 1 93 93 PHE CZ C 13 129.543 0.100 . 1 . . . . A 564 PHE CZ . 18462 1 1560 . 1 1 93 93 PHE N N 15 118.625 0.050 . 1 . . . . A 564 PHE N . 18462 1 1561 . 1 1 94 94 MET H H 1 7.153 0.003 . 1 . . . . A 565 MET H . 18462 1 1562 . 1 1 94 94 MET HA H 1 3.72 0.003 . 1 . . . . A 565 MET HA . 18462 1 1563 . 1 1 94 94 MET HB2 H 1 1.797 0.003 . 2 . . . . A 565 MET HB2 . 18462 1 1564 . 1 1 94 94 MET HB3 H 1 1.58 0.003 . 2 . . . . A 565 MET HB3 . 18462 1 1565 . 1 1 94 94 MET HG2 H 1 2.734 0.003 . 2 . . . . A 565 MET HG2 . 18462 1 1566 . 1 1 94 94 MET HG3 H 1 2.734 0.003 . 2 . . . . A 565 MET HG3 . 18462 1 1567 . 1 1 94 94 MET HE1 H 1 0.55 0.003 . 1 . . . . A 565 MET HE1 . 18462 1 1568 . 1 1 94 94 MET HE2 H 1 0.55 0.003 . 1 . . . . A 565 MET HE2 . 18462 1 1569 . 1 1 94 94 MET HE3 H 1 0.55 0.003 . 1 . . . . A 565 MET HE3 . 18462 1 1570 . 1 1 94 94 MET C C 13 178.642 0.100 . 1 . . . . A 565 MET C . 18462 1 1571 . 1 1 94 94 MET CA C 13 58.037 0.100 . 1 . . . . A 565 MET CA . 18462 1 1572 . 1 1 94 94 MET CG C 13 29.695 0.100 . 1 . . . . A 565 MET CG . 18462 1 1573 . 1 1 94 94 MET CE C 13 14.935 0.100 . 1 . . . . A 565 MET CE . 18462 1 1574 . 1 1 94 94 MET N N 15 120.996 0.050 . 1 . . . . A 565 MET N . 18462 1 1575 . 1 1 95 95 SER H H 1 8.918 0.003 . 1 . . . . A 566 SER H . 18462 1 1576 . 1 1 95 95 SER HA H 1 3.72 0.003 . 1 . . . . A 566 SER HA . 18462 1 1577 . 1 1 95 95 SER HB2 H 1 3.719 0.003 . 2 . . . . A 566 SER HB2 . 18462 1 1578 . 1 1 95 95 SER HB3 H 1 3.543 0.003 . 2 . . . . A 566 SER HB3 . 18462 1 1579 . 1 1 95 95 SER C C 13 176.710 0.100 . 1 . . . . A 566 SER C . 18462 1 1580 . 1 1 95 95 SER CA C 13 60.633 0.100 . 1 . . . . A 566 SER CA . 18462 1 1581 . 1 1 95 95 SER CB C 13 62.04 0.100 . 1 . . . . A 566 SER CB . 18462 1 1582 . 1 1 95 95 SER N N 15 115.706 0.050 . 1 . . . . A 566 SER N . 18462 1 1583 . 1 1 96 96 SER H H 1 7.933 0.003 . 1 . . . . A 567 SER H . 18462 1 1584 . 1 1 96 96 SER HA H 1 4.212 0.003 . 1 . . . . A 567 SER HA . 18462 1 1585 . 1 1 96 96 SER HB2 H 1 3.992 0.003 . 2 . . . . A 567 SER HB2 . 18462 1 1586 . 1 1 96 96 SER HB3 H 1 3.992 0.003 . 2 . . . . A 567 SER HB3 . 18462 1 1587 . 1 1 96 96 SER C C 13 176.849 0.100 . 1 . . . . A 567 SER C . 18462 1 1588 . 1 1 96 96 SER CA C 13 60.868 0.100 . 1 . . . . A 567 SER CA . 18462 1 1589 . 1 1 96 96 SER CB C 13 61.806 0.100 . 1 . . . . A 567 SER CB . 18462 1 1590 . 1 1 96 96 SER N N 15 114.335 0.050 . 1 . . . . A 567 SER N . 18462 1 1591 . 1 1 97 97 HIS H H 1 7.594 0.003 . 1 . . . . A 568 HIS H . 18462 1 1592 . 1 1 97 97 HIS HA H 1 4.327 0.003 . 1 . . . . A 568 HIS HA . 18462 1 1593 . 1 1 97 97 HIS HB2 H 1 3.148 0.003 . 2 . . . . A 568 HIS HB2 . 18462 1 1594 . 1 1 97 97 HIS HB3 H 1 2.852 0.003 . 2 . . . . A 568 HIS HB3 . 18462 1 1595 . 1 1 97 97 HIS HD2 H 1 7.12 0.003 . 1 . . . . A 568 HIS HD2 . 18462 1 1596 . 1 1 97 97 HIS HE1 H 1 8.162 0.003 . 1 . . . . A 568 HIS HE1 . 18462 1 1597 . 1 1 97 97 HIS C C 13 177.652 0.100 . 1 . . . . A 568 HIS C . 18462 1 1598 . 1 1 97 97 HIS CA C 13 58.992 0.100 . 1 . . . . A 568 HIS CA . 18462 1 1599 . 1 1 97 97 HIS CB C 13 27.234 0.100 . 1 . . . . A 568 HIS CB . 18462 1 1600 . 1 1 97 97 HIS CD2 C 13 118.054 0.100 . 1 . . . . A 568 HIS CD2 . 18462 1 1601 . 1 1 97 97 HIS CE1 C 13 138.144 0.100 . 1 . . . . A 568 HIS CE1 . 18462 1 1602 . 1 1 97 97 HIS N N 15 120.659 0.050 . 1 . . . . A 568 HIS N . 18462 1 1603 . 1 1 97 97 HIS ND1 N 15 174.478 0.050 . 1 . . . . A 568 HIS ND1 . 18462 1 1604 . 1 1 97 97 HIS NE2 N 15 217.699 0.050 . 1 . . . . A 568 HIS NE2 . 18462 1 1605 . 1 1 98 98 ILE H H 1 8.64 0.003 . 1 . . . . A 569 ILE H . 18462 1 1606 . 1 1 98 98 ILE HA H 1 3.562 0.003 . 1 . . . . A 569 ILE HA . 18462 1 1607 . 1 1 98 98 ILE HB H 1 1.876 0.003 . 1 . . . . A 569 ILE HB . 18462 1 1608 . 1 1 98 98 ILE HG12 H 1 2.339 0.003 . 2 . . . . A 569 ILE HG12 . 18462 1 1609 . 1 1 98 98 ILE HG13 H 1 1.878 0.003 . 2 . . . . A 569 ILE HG13 . 18462 1 1610 . 1 1 98 98 ILE HG21 H 1 1.048 0.003 . 1 . . . . A 569 ILE HG21 . 18462 1 1611 . 1 1 98 98 ILE HG22 H 1 1.048 0.003 . 1 . . . . A 569 ILE HG22 . 18462 1 1612 . 1 1 98 98 ILE HG23 H 1 1.048 0.003 . 1 . . . . A 569 ILE HG23 . 18462 1 1613 . 1 1 98 98 ILE HD11 H 1 1.094 0.003 . 1 . . . . A 569 ILE HD11 . 18462 1 1614 . 1 1 98 98 ILE HD12 H 1 1.094 0.003 . 1 . . . . A 569 ILE HD12 . 18462 1 1615 . 1 1 98 98 ILE HD13 H 1 1.094 0.003 . 1 . . . . A 569 ILE HD13 . 18462 1 1616 . 1 1 98 98 ILE C C 13 175.925 0.100 . 1 . . . . A 569 ILE C . 18462 1 1617 . 1 1 98 98 ILE CA C 13 66.729 0.100 . 1 . . . . A 569 ILE CA . 18462 1 1618 . 1 1 98 98 ILE CB C 13 37.198 0.100 . 1 . . . . A 569 ILE CB . 18462 1 1619 . 1 1 98 98 ILE CG1 C 13 29.93 0.100 . 1 . . . . A 569 ILE CG1 . 18462 1 1620 . 1 1 98 98 ILE CG2 C 13 17.046 0.100 . 1 . . . . A 569 ILE CG2 . 18462 1 1621 . 1 1 98 98 ILE CD1 C 13 14.467 0.100 . 1 . . . . A 569 ILE CD1 . 18462 1 1622 . 1 1 98 98 ILE N N 15 120.858 0.050 . 1 . . . . A 569 ILE N . 18462 1 1623 . 1 1 99 99 LYS H H 1 8.463 0.003 . 1 . . . . A 570 LYS H . 18462 1 1624 . 1 1 99 99 LYS HA H 1 4.329 0.003 . 1 . . . . A 570 LYS HA . 18462 1 1625 . 1 1 99 99 LYS HB2 H 1 1.864 0.003 . 2 . . . . A 570 LYS HB2 . 18462 1 1626 . 1 1 99 99 LYS HB3 H 1 1.864 0.003 . 2 . . . . A 570 LYS HB3 . 18462 1 1627 . 1 1 99 99 LYS HG2 H 1 1.778 0.003 . 2 . . . . A 570 LYS HG2 . 18462 1 1628 . 1 1 99 99 LYS HG3 H 1 1.513 0.003 . 2 . . . . A 570 LYS HG3 . 18462 1 1629 . 1 1 99 99 LYS HD2 H 1 1.663 0.003 . 2 . . . . A 570 LYS HD2 . 18462 1 1630 . 1 1 99 99 LYS HD3 H 1 1.596 0.003 . 2 . . . . A 570 LYS HD3 . 18462 1 1631 . 1 1 99 99 LYS HE2 H 1 2.907 0.003 . 2 . . . . A 570 LYS HE2 . 18462 1 1632 . 1 1 99 99 LYS HE3 H 1 2.907 0.003 . 2 . . . . A 570 LYS HE3 . 18462 1 1633 . 1 1 99 99 LYS C C 13 178.927 0.100 . 1 . . . . A 570 LYS C . 18462 1 1634 . 1 1 99 99 LYS CA C 13 59.461 0.100 . 1 . . . . A 570 LYS CA . 18462 1 1635 . 1 1 99 99 LYS CB C 13 32.743 0.100 . 1 . . . . A 570 LYS CB . 18462 1 1636 . 1 1 99 99 LYS CG C 13 25.798 0.100 . 1 . . . . A 570 LYS CG . 18462 1 1637 . 1 1 99 99 LYS CD C 13 29.123 0.100 . 1 . . . . A 570 LYS CD . 18462 1 1638 . 1 1 99 99 LYS CE C 13 41.653 0.100 . 1 . . . . A 570 LYS CE . 18462 1 1639 . 1 1 99 99 LYS N N 15 118.876 0.050 . 1 . . . . A 570 LYS N . 18462 1 1640 . 1 1 100 100 SER H H 1 7.997 0.003 . 1 . . . . A 571 SER H . 18462 1 1641 . 1 1 100 100 SER HA H 1 4.323 0.003 . 1 . . . . A 571 SER HA . 18462 1 1642 . 1 1 100 100 SER HB2 H 1 4.001 0.003 . 2 . . . . A 571 SER HB2 . 18462 1 1643 . 1 1 100 100 SER HB3 H 1 4.001 0.003 . 2 . . . . A 571 SER HB3 . 18462 1 1644 . 1 1 100 100 SER C C 13 179.258 0.100 . 1 . . . . A 571 SER C . 18462 1 1645 . 1 1 100 100 SER CA C 13 59.93 0.100 . 1 . . . . A 571 SER CA . 18462 1 1646 . 1 1 100 100 SER CB C 13 62.978 0.100 . 1 . . . . A 571 SER CB . 18462 1 1647 . 1 1 100 100 SER N N 15 112.612 0.050 . 1 . . . . A 571 SER N . 18462 1 1648 . 1 1 101 101 VAL H H 1 8.615 0.003 . 1 . . . . A 572 VAL H . 18462 1 1649 . 1 1 101 101 VAL HA H 1 3.789 0.003 . 1 . . . . A 572 VAL HA . 18462 1 1650 . 1 1 101 101 VAL HB H 1 0.875 0.003 . 1 . . . . A 572 VAL HB . 18462 1 1651 . 1 1 101 101 VAL HG11 H 1 0.821 0.003 . 2 . . . . A 572 VAL HG11 . 18462 1 1652 . 1 1 101 101 VAL HG12 H 1 0.821 0.003 . 2 . . . . A 572 VAL HG12 . 18462 1 1653 . 1 1 101 101 VAL HG13 H 1 0.821 0.003 . 2 . . . . A 572 VAL HG13 . 18462 1 1654 . 1 1 101 101 VAL HG21 H 1 0.381 0.003 . 2 . . . . A 572 VAL HG21 . 18462 1 1655 . 1 1 101 101 VAL HG22 H 1 0.381 0.003 . 2 . . . . A 572 VAL HG22 . 18462 1 1656 . 1 1 101 101 VAL HG23 H 1 0.381 0.003 . 2 . . . . A 572 VAL HG23 . 18462 1 1657 . 1 1 101 101 VAL C C 13 176.245 0.100 . 1 . . . . A 572 VAL C . 18462 1 1658 . 1 1 101 101 VAL CA C 13 63.916 0.100 . 1 . . . . A 572 VAL CA . 18462 1 1659 . 1 1 101 101 VAL CB C 13 31.337 0.100 . 1 . . . . A 572 VAL CB . 18462 1 1660 . 1 1 101 101 VAL CG1 C 13 22.204 0.100 . 1 . . . . A 572 VAL CG1 . 18462 1 1661 . 1 1 101 101 VAL CG2 C 13 20.328 0.100 . 1 . . . . A 572 VAL CG2 . 18462 1 1662 . 1 1 101 101 VAL N N 15 120.208 0.050 . 1 . . . . A 572 VAL N . 18462 1 1663 . 1 1 102 102 HIS H H 1 7.067 0.003 . 1 . . . . A 573 HIS H . 18462 1 1664 . 1 1 102 102 HIS HA H 1 5.102 0.003 . 1 . . . . A 573 HIS HA . 18462 1 1665 . 1 1 102 102 HIS HB2 H 1 3.456 0.003 . 2 . . . . A 573 HIS HB2 . 18462 1 1666 . 1 1 102 102 HIS HB3 H 1 3.341 0.003 . 2 . . . . A 573 HIS HB3 . 18462 1 1667 . 1 1 102 102 HIS HD2 H 1 6.82 0.003 . 1 . . . . A 573 HIS HD2 . 18462 1 1668 . 1 1 102 102 HIS HE1 H 1 8.092 0.003 . 1 . . . . A 573 HIS HE1 . 18462 1 1669 . 1 1 102 102 HIS C C 13 177.042 0.100 . 1 . . . . A 573 HIS C . 18462 1 1670 . 1 1 102 102 HIS CA C 13 53.376 0.100 . 1 . . . . A 573 HIS CA . 18462 1 1671 . 1 1 102 102 HIS CB C 13 28.21 0.100 . 1 . . . . A 573 HIS CB . 18462 1 1672 . 1 1 102 102 HIS CD2 C 13 127.433 0.100 . 1 . . . . A 573 HIS CD2 . 18462 1 1673 . 1 1 102 102 HIS CE1 C 13 139.390 0.100 . 1 . . . . A 573 HIS CE1 . 18462 1 1674 . 1 1 102 102 HIS N N 15 113.735 0.050 . 1 . . . . A 573 HIS N . 18462 1 1675 . 1 1 102 102 HIS ND1 N 15 171.233 0.050 . 1 . . . . A 573 HIS ND1 . 18462 1 1676 . 1 1 102 102 HIS NE2 N 15 214.171 0.050 . 1 . . . . A 573 HIS NE2 . 18462 1 1677 . 1 1 103 103 SER H H 1 7.325 0.003 . 1 . . . . A 574 SER H . 18462 1 1678 . 1 1 103 103 SER HA H 1 4.421 0.003 . 1 . . . . A 574 SER HA . 18462 1 1679 . 1 1 103 103 SER HB2 H 1 4.151 0.003 . 2 . . . . A 574 SER HB2 . 18462 1 1680 . 1 1 103 103 SER HB3 H 1 4.018 0.003 . 2 . . . . A 574 SER HB3 . 18462 1 1681 . 1 1 103 103 SER C C 13 174.525 0.100 . 1 . . . . A 574 SER C . 18462 1 1682 . 1 1 103 103 SER CA C 13 58.054 0.100 . 1 . . . . A 574 SER CA . 18462 1 1683 . 1 1 103 103 SER CB C 13 61.102 0.100 . 1 . . . . A 574 SER CB . 18462 1 1684 . 1 1 103 103 SER N N 15 112.537 0.050 . 1 . . . . A 574 SER N . 18462 1 1685 . 1 1 104 104 GLN H H 1 7.48 0.003 . 1 . . . . A 575 GLN H . 18462 1 1686 . 1 1 104 104 GLN HA H 1 4.659 0.003 . 1 . . . . A 575 GLN HA . 18462 1 1687 . 1 1 104 104 GLN HB2 H 1 2.046 0.003 . 2 . . . . A 575 GLN HB2 . 18462 1 1688 . 1 1 104 104 GLN HB3 H 1 1.505 0.003 . 2 . . . . A 575 GLN HB3 . 18462 1 1689 . 1 1 104 104 GLN HG2 H 1 2.342 0.003 . 2 . . . . A 575 GLN HG2 . 18462 1 1690 . 1 1 104 104 GLN HG3 H 1 2.318 0.003 . 2 . . . . A 575 GLN HG3 . 18462 1 1691 . 1 1 104 104 GLN HE21 H 1 7.396 0.003 . 2 . . . . A 575 GLN HE21 . 18462 1 1692 . 1 1 104 104 GLN HE22 H 1 6.727 0.003 . 2 . . . . A 575 GLN HE22 . 18462 1 1693 . 1 1 104 104 GLN C C 13 173.993 0.100 . 1 . . . . A 575 GLN C . 18462 1 1694 . 1 1 104 104 GLN CA C 13 53.376 0.100 . 1 . . . . A 575 GLN CA . 18462 1 1695 . 1 1 104 104 GLN CB C 13 32.743 0.100 . 1 . . . . A 575 GLN CB . 18462 1 1696 . 1 1 104 104 GLN CG C 13 33.447 0.100 . 1 . . . . A 575 GLN CG . 18462 1 1697 . 1 1 104 104 GLN N N 15 117.032 0.050 . 1 . . . . A 575 GLN N . 18462 1 1698 . 1 1 104 104 GLN NE2 N 15 111.117 0.050 . 1 . . . . A 575 GLN NE2 . 18462 1 1699 . 1 1 105 105 ASP H H 1 8.173 0.003 . 1 . . . . A 576 ASP H . 18462 1 1700 . 1 1 105 105 ASP HA H 1 4.992 0.003 . 1 . . . . A 576 ASP HA . 18462 1 1701 . 1 1 105 105 ASP HB2 H 1 2.951 0.003 . 2 . . . . A 576 ASP HB2 . 18462 1 1702 . 1 1 105 105 ASP HB3 H 1 2.585 0.003 . 2 . . . . A 576 ASP HB3 . 18462 1 1703 . 1 1 105 105 ASP C C 13 173.387 0.100 . 1 . . . . A 576 ASP C . 18462 1 1704 . 1 1 105 105 ASP CA C 13 50.094 0.100 . 1 . . . . A 576 ASP CA . 18462 1 1705 . 1 1 105 105 ASP CB C 13 41.301 0.100 . 1 . . . . A 576 ASP CB . 18462 1 1706 . 1 1 105 105 ASP N N 15 118.953 0.050 . 1 . . . . A 576 ASP N . 18462 1 1707 . 1 1 106 106 PRO HA H 1 4.629 0.003 . 1 . . . . A 577 PRO HA . 18462 1 1708 . 1 1 106 106 PRO HB2 H 1 2.204 0.003 . 2 . . . . A 577 PRO HB2 . 18462 1 1709 . 1 1 106 106 PRO HB3 H 1 2.204 0.003 . 2 . . . . A 577 PRO HB3 . 18462 1 1710 . 1 1 106 106 PRO HG2 H 1 2.16 0.003 . 2 . . . . A 577 PRO HG2 . 18462 1 1711 . 1 1 106 106 PRO HG3 H 1 1.941 0.003 . 2 . . . . A 577 PRO HG3 . 18462 1 1712 . 1 1 106 106 PRO HD2 H 1 4.074 0.003 . 2 . . . . A 577 PRO HD2 . 18462 1 1713 . 1 1 106 106 PRO HD3 H 1 3.918 0.003 . 2 . . . . A 577 PRO HD3 . 18462 1 1714 . 1 1 106 106 PRO CA C 13 63.212 0.100 . 1 . . . . A 577 PRO CA . 18462 1 1715 . 1 1 106 106 PRO CB C 13 31.806 0.100 . 1 . . . . A 577 PRO CB . 18462 1 1716 . 1 1 106 106 PRO CG C 13 26.413 0.100 . 1 . . . . A 577 PRO CG . 18462 1 1717 . 1 1 106 106 PRO CD C 13 49.859 0.100 . 1 . . . . A 577 PRO CD . 18462 1 1718 . 1 1 107 107 SER H H 1 8.387 0.003 . 1 . . . . A 578 SER H . 18462 1 1719 . 1 1 107 107 SER HA H 1 4.82 0.003 . 1 . . . . A 578 SER HA . 18462 1 1720 . 1 1 107 107 SER HB2 H 1 4.065 0.003 . 2 . . . . A 578 SER HB2 . 18462 1 1721 . 1 1 107 107 SER HB3 H 1 4.025 0.003 . 2 . . . . A 578 SER HB3 . 18462 1 1722 . 1 1 107 107 SER C C 13 176.301 0.100 . 1 . . . . A 578 SER C . 18462 1 1723 . 1 1 107 107 SER CA C 13 58.054 0.100 . 1 . . . . A 578 SER CA . 18462 1 1724 . 1 1 107 107 SER CB C 13 63.447 0.100 . 1 . . . . A 578 SER CB . 18462 1 1725 . 1 1 107 107 SER N N 15 114.986 0.050 . 1 . . . . A 578 SER N . 18462 1 1726 . 1 1 108 108 GLY H H 1 8.554 0.003 . 1 . . . . A 579 GLY H . 18462 1 1727 . 1 1 108 108 GLY HA2 H 1 4.035 0.003 . 2 . . . . A 579 GLY HA2 . 18462 1 1728 . 1 1 108 108 GLY HA3 H 1 4.035 0.003 . 2 . . . . A 579 GLY HA3 . 18462 1 1729 . 1 1 108 108 GLY C C 13 175.262 0.100 . 1 . . . . A 579 GLY C . 18462 1 1730 . 1 1 108 108 GLY CA C 13 44.935 0.100 . 1 . . . . A 579 GLY CA . 18462 1 1731 . 1 1 108 108 GLY N N 15 111.279 0.050 . 1 . . . . A 579 GLY N . 18462 1 1732 . 1 1 109 109 ASP H H 1 8.386 0.003 . 1 . . . . A 580 ASP H . 18462 1 1733 . 1 1 109 109 ASP HA H 1 4.7 0.003 . 1 . . . . A 580 ASP HA . 18462 1 1734 . 1 1 109 109 ASP HB2 H 1 2.844 0.003 . 2 . . . . A 580 ASP HB2 . 18462 1 1735 . 1 1 109 109 ASP HB3 H 1 2.607 0.003 . 2 . . . . A 580 ASP HB3 . 18462 1 1736 . 1 1 109 109 ASP C C 13 174.329 0.100 . 1 . . . . A 580 ASP C . 18462 1 1737 . 1 1 109 109 ASP CA C 13 53.845 0.100 . 1 . . . . A 580 ASP CA . 18462 1 1738 . 1 1 109 109 ASP CB C 13 40.012 0.100 . 1 . . . . A 580 ASP CB . 18462 1 1739 . 1 1 109 109 ASP N N 15 121.402 0.050 . 1 . . . . A 580 ASP N . 18462 1 1740 . 1 1 110 110 SER H H 1 8.015 0.003 . 1 . . . . A 581 SER H . 18462 1 1741 . 1 1 110 110 SER HA H 1 4.421 0.003 . 1 . . . . A 581 SER HA . 18462 1 1742 . 1 1 110 110 SER HB2 H 1 3.91 0.003 . 2 . . . . A 581 SER HB2 . 18462 1 1743 . 1 1 110 110 SER HB3 H 1 3.91 0.003 . 2 . . . . A 581 SER HB3 . 18462 1 1744 . 1 1 110 110 SER C C 13 176.108 0.100 . 1 . . . . A 581 SER C . 18462 1 1745 . 1 1 110 110 SER CA C 13 58.054 0.100 . 1 . . . . A 581 SER CA . 18462 1 1746 . 1 1 110 110 SER CB C 13 63.212 0.100 . 1 . . . . A 581 SER CB . 18462 1 1747 . 1 1 110 110 SER N N 15 115.668 0.050 . 1 . . . . A 581 SER N . 18462 1 1748 . 1 1 111 111 LYS H H 1 8.453 0.003 . 1 . . . . A 582 LYS H . 18462 1 1749 . 1 1 111 111 LYS HA H 1 4.329 0.003 . 1 . . . . A 582 LYS HA . 18462 1 1750 . 1 1 111 111 LYS HB2 H 1 1.895 0.003 . 2 . . . . A 582 LYS HB2 . 18462 1 1751 . 1 1 111 111 LYS HB3 H 1 1.84 0.003 . 2 . . . . A 582 LYS HB3 . 18462 1 1752 . 1 1 111 111 LYS HG2 H 1 1.451 0.003 . 2 . . . . A 582 LYS HG2 . 18462 1 1753 . 1 1 111 111 LYS HG3 H 1 1.424 0.003 . 2 . . . . A 582 LYS HG3 . 18462 1 1754 . 1 1 111 111 LYS HD2 H 1 1.668 0.003 . 2 . . . . A 582 LYS HD2 . 18462 1 1755 . 1 1 111 111 LYS HD3 H 1 1.632 0.003 . 2 . . . . A 582 LYS HD3 . 18462 1 1756 . 1 1 111 111 LYS HE2 H 1 2.949 0.003 . 2 . . . . A 582 LYS HE2 . 18462 1 1757 . 1 1 111 111 LYS HE3 H 1 2.949 0.003 . 2 . . . . A 582 LYS HE3 . 18462 1 1758 . 1 1 111 111 LYS C C 13 174.302 0.100 . 1 . . . . A 582 LYS C . 18462 1 1759 . 1 1 111 111 LYS CA C 13 55.944 0.100 . 1 . . . . A 582 LYS CA . 18462 1 1760 . 1 1 111 111 LYS CB C 13 30.868 0.100 . 1 . . . . A 582 LYS CB . 18462 1 1761 . 1 1 111 111 LYS CG C 13 23.845 0.100 . 1 . . . . A 582 LYS CG . 18462 1 1762 . 1 1 111 111 LYS CD C 13 28.054 0.100 . 1 . . . . A 582 LYS CD . 18462 1 1763 . 1 1 111 111 LYS CE C 13 41.184 0.100 . 1 . . . . A 582 LYS CE . 18462 1 1764 . 1 1 111 111 LYS N N 15 120.544 0.050 . 1 . . . . A 582 LYS N . 18462 1 1765 . 1 1 112 112 LEU H H 1 8.391 0.003 . 1 . . . . A 583 LEU H . 18462 1 1766 . 1 1 112 112 LEU HA H 1 4.458 0.003 . 1 . . . . A 583 LEU HA . 18462 1 1767 . 1 1 112 112 LEU HB2 H 1 1.92 0.003 . 2 . . . . A 583 LEU HB2 . 18462 1 1768 . 1 1 112 112 LEU HB3 H 1 1.764 0.003 . 2 . . . . A 583 LEU HB3 . 18462 1 1769 . 1 1 112 112 LEU HG H 1 1.764 0.003 . 1 . . . . A 583 LEU HG . 18462 1 1770 . 1 1 112 112 LEU HD11 H 1 0.876 0.003 . 1 . . . . A 583 LEU HD11 . 18462 1 1771 . 1 1 112 112 LEU HD12 H 1 0.876 0.003 . 1 . . . . A 583 LEU HD12 . 18462 1 1772 . 1 1 112 112 LEU HD13 H 1 0.876 0.003 . 1 . . . . A 583 LEU HD13 . 18462 1 1773 . 1 1 112 112 LEU HD21 H 1 0.823 0.003 . 1 . . . . A 583 LEU HD21 . 18462 1 1774 . 1 1 112 112 LEU HD22 H 1 0.823 0.003 . 1 . . . . A 583 LEU HD22 . 18462 1 1775 . 1 1 112 112 LEU HD23 H 1 0.823 0.003 . 1 . . . . A 583 LEU HD23 . 18462 1 1776 . 1 1 112 112 LEU C C 13 176.924 0.100 . 1 . . . . A 583 LEU C . 18462 1 1777 . 1 1 112 112 LEU CA C 13 54.303 0.100 . 1 . . . . A 583 LEU CA . 18462 1 1778 . 1 1 112 112 LEU CB C 13 43.06 0.100 . 1 . . . . A 583 LEU CB . 18462 1 1779 . 1 1 112 112 LEU CG C 13 26.413 0.100 . 1 . . . . A 583 LEU CG . 18462 1 1780 . 1 1 112 112 LEU CD1 C 13 25.475 0.100 . 1 . . . . A 583 LEU CD1 . 18462 1 1781 . 1 1 112 112 LEU CD2 C 13 22.204 0.100 . 1 . . . . A 583 LEU CD2 . 18462 1 1782 . 1 1 112 112 LEU N N 15 119.514 0.050 . 1 . . . . A 583 LEU N . 18462 1 1783 . 1 1 113 113 TYR H H 1 7.625 0.003 . 1 . . . . A 584 TYR H . 18462 1 1784 . 1 1 113 113 TYR HA H 1 5.714 0.003 . 1 . . . . A 584 TYR HA . 18462 1 1785 . 1 1 113 113 TYR HB2 H 1 3.135 0.003 . 2 . . . . A 584 TYR HB2 . 18462 1 1786 . 1 1 113 113 TYR HB3 H 1 2.97 0.003 . 2 . . . . A 584 TYR HB3 . 18462 1 1787 . 1 1 113 113 TYR HD1 H 1 6.905 0.003 . 1 . . . . A 584 TYR HD1 . 18462 1 1788 . 1 1 113 113 TYR HD2 H 1 6.905 0.003 . 1 . . . . A 584 TYR HD2 . 18462 1 1789 . 1 1 113 113 TYR HE1 H 1 7.12 0.003 . 1 . . . . A 584 TYR HE1 . 18462 1 1790 . 1 1 113 113 TYR HE2 H 1 7.12 0.003 . 1 . . . . A 584 TYR HE2 . 18462 1 1791 . 1 1 113 113 TYR C C 13 175.675 0.100 . 1 . . . . A 584 TYR C . 18462 1 1792 . 1 1 113 113 TYR CA C 13 54.303 0.100 . 1 . . . . A 584 TYR CA . 18462 1 1793 . 1 1 113 113 TYR CB C 13 42.42 0.100 . 1 . . . . A 584 TYR CB . 18462 1 1794 . 1 1 113 113 TYR CD1 C 13 130.246 0.100 . 1 . . . . A 584 TYR CD1 . 18462 1 1795 . 1 1 113 113 TYR CD2 C 13 130.246 0.100 . 1 . . . . A 584 TYR CD2 . 18462 1 1796 . 1 1 113 113 TYR CE1 C 13 117.585 0.100 . 1 . . . . A 584 TYR CE1 . 18462 1 1797 . 1 1 113 113 TYR CE2 C 13 117.585 0.100 . 1 . . . . A 584 TYR CE2 . 18462 1 1798 . 1 1 113 113 TYR N N 15 115.291 0.050 . 1 . . . . A 584 TYR N . 18462 1 1799 . 1 1 114 114 ARG H H 1 9.141 0.003 . 1 . . . . A 585 ARG H . 18462 1 1800 . 1 1 114 114 ARG HA H 1 4.407 0.003 . 1 . . . . A 585 ARG HA . 18462 1 1801 . 1 1 114 114 ARG HB2 H 1 1.65 0.003 . 2 . . . . A 585 ARG HB2 . 18462 1 1802 . 1 1 114 114 ARG HB3 H 1 1.561 0.003 . 2 . . . . A 585 ARG HB3 . 18462 1 1803 . 1 1 114 114 ARG HG2 H 1 1.26 0.003 . 2 . . . . A 585 ARG HG2 . 18462 1 1804 . 1 1 114 114 ARG HG3 H 1 0.945 0.003 . 2 . . . . A 585 ARG HG3 . 18462 1 1805 . 1 1 114 114 ARG HD2 H 1 2.986 0.003 . 2 . . . . A 585 ARG HD2 . 18462 1 1806 . 1 1 114 114 ARG HD3 H 1 2.941 0.003 . 2 . . . . A 585 ARG HD3 . 18462 1 1807 . 1 1 114 114 ARG C C 13 172.342 0.100 . 1 . . . . A 585 ARG C . 18462 1 1808 . 1 1 114 114 ARG CA C 13 53.376 0.100 . 1 . . . . A 585 ARG CA . 18462 1 1809 . 1 1 114 114 ARG CB C 13 33.916 0.100 . 1 . . . . A 585 ARG CB . 18462 1 1810 . 1 1 114 114 ARG CG C 13 25.944 0.100 . 1 . . . . A 585 ARG CG . 18462 1 1811 . 1 1 114 114 ARG CD C 13 42.591 0.100 . 1 . . . . A 585 ARG CD . 18462 1 1812 . 1 1 114 114 ARG N N 15 120.321 0.050 . 1 . . . . A 585 ARG N . 18462 1 1813 . 1 1 115 115 LEU H H 1 8.581 0.003 . 1 . . . . A 586 LEU H . 18462 1 1814 . 1 1 115 115 LEU HA H 1 4.768 0.003 . 1 . . . . A 586 LEU HA . 18462 1 1815 . 1 1 115 115 LEU HB2 H 1 1.938 0.003 . 2 . . . . A 586 LEU HB2 . 18462 1 1816 . 1 1 115 115 LEU HB3 H 1 1.124 0.003 . 2 . . . . A 586 LEU HB3 . 18462 1 1817 . 1 1 115 115 LEU HG H 1 1.034 0.003 . 1 . . . . A 586 LEU HG . 18462 1 1818 . 1 1 115 115 LEU HD11 H 1 0.717 0.003 . 2 . . . . A 586 LEU HD11 . 18462 1 1819 . 1 1 115 115 LEU HD12 H 1 0.717 0.003 . 2 . . . . A 586 LEU HD12 . 18462 1 1820 . 1 1 115 115 LEU HD13 H 1 0.717 0.003 . 2 . . . . A 586 LEU HD13 . 18462 1 1821 . 1 1 115 115 LEU HD21 H 1 -0.049 0.003 . 2 . . . . A 586 LEU HD21 . 18462 1 1822 . 1 1 115 115 LEU HD22 H 1 -0.049 0.003 . 2 . . . . A 586 LEU HD22 . 18462 1 1823 . 1 1 115 115 LEU HD23 H 1 -0.049 0.003 . 2 . . . . A 586 LEU HD23 . 18462 1 1824 . 1 1 115 115 LEU C C 13 173.449 0.100 . 1 . . . . A 586 LEU C . 18462 1 1825 . 1 1 115 115 LEU CA C 13 52.438 0.100 . 1 . . . . A 586 LEU CA . 18462 1 1826 . 1 1 115 115 LEU CB C 13 41.653 0.100 . 1 . . . . A 586 LEU CB . 18462 1 1827 . 1 1 115 115 LEU CG C 13 25.71 0.100 . 1 . . . . A 586 LEU CG . 18462 1 1828 . 1 1 115 115 LEU CD1 C 13 22.204 0.100 . 1 . . . . A 586 LEU CD1 . 18462 1 1829 . 1 1 115 115 LEU CD2 C 13 21.5 0.100 . 1 . . . . A 586 LEU CD2 . 18462 1 1830 . 1 1 115 115 LEU N N 15 129.013 0.050 . 1 . . . . A 586 LEU N . 18462 1 1831 . 1 1 116 116 HIS H H 1 9.132 0.003 . 1 . . . . A 587 HIS H . 18462 1 1832 . 1 1 116 116 HIS HA H 1 4.65 0.003 . 1 . . . . A 587 HIS HA . 18462 1 1833 . 1 1 116 116 HIS HB2 H 1 3.159 0.003 . 2 . . . . A 587 HIS HB2 . 18462 1 1834 . 1 1 116 116 HIS HB3 H 1 2.952 0.003 . 2 . . . . A 587 HIS HB3 . 18462 1 1835 . 1 1 116 116 HIS HD2 H 1 7.176 0.003 . 1 . . . . A 587 HIS HD2 . 18462 1 1836 . 1 1 116 116 HIS HE1 H 1 7.893 0.003 . 1 . . . . A 587 HIS HE1 . 18462 1 1837 . 1 1 116 116 HIS C C 13 175.512 0.100 . 1 . . . . A 587 HIS C . 18462 1 1838 . 1 1 116 116 HIS CA C 13 55.544 0.100 . 1 . . . . A 587 HIS CA . 18462 1 1839 . 1 1 116 116 HIS CB C 13 29.93 0.100 . 1 . . . . A 587 HIS CB . 18462 1 1840 . 1 1 116 116 HIS CD2 C 13 118.007 0.100 . 1 . . . . A 587 HIS CD2 . 18462 1 1841 . 1 1 116 116 HIS CE1 C 13 138.299 0.100 . 1 . . . . A 587 HIS CE1 . 18462 1 1842 . 1 1 116 116 HIS N N 15 127.447 0.050 . 1 . . . . A 587 HIS N . 18462 1 1843 . 1 1 116 116 HIS ND1 N 15 235.363 0.050 . 1 . . . . A 587 HIS ND1 . 18462 1 1844 . 1 1 116 116 HIS NE2 N 15 168.675 0.050 . 1 . . . . A 587 HIS NE2 . 18462 1 1845 . 1 1 117 117 PRO HA H 1 4.441 0.003 . 1 . . . . A 588 PRO HA . 18462 1 1846 . 1 1 117 117 PRO HB2 H 1 2.347 0.003 . 2 . . . . A 588 PRO HB2 . 18462 1 1847 . 1 1 117 117 PRO HB3 H 1 1.781 0.003 . 2 . . . . A 588 PRO HB3 . 18462 1 1848 . 1 1 117 117 PRO HG2 H 1 2.114 0.003 . 2 . . . . A 588 PRO HG2 . 18462 1 1849 . 1 1 117 117 PRO HG3 H 1 1.949 0.003 . 2 . . . . A 588 PRO HG3 . 18462 1 1850 . 1 1 117 117 PRO HD2 H 1 3.967 0.003 . 2 . . . . A 588 PRO HD2 . 18462 1 1851 . 1 1 117 117 PRO HD3 H 1 3.849 0.003 . 2 . . . . A 588 PRO HD3 . 18462 1 1852 . 1 1 117 117 PRO CA C 13 62.509 0.100 . 1 . . . . A 588 PRO CA . 18462 1 1853 . 1 1 117 117 PRO CB C 13 31.688 0.100 . 1 . . . . A 588 PRO CB . 18462 1 1854 . 1 1 117 117 PRO CG C 13 27.351 0.100 . 1 . . . . A 588 PRO CG . 18462 1 1855 . 1 1 117 117 PRO CD C 13 50.328 0.100 . 1 . . . . A 588 PRO CD . 18462 1 1856 . 1 1 118 118 CYS H H 1 9.475 0.003 . 1 . . . . A 589 CYS H . 18462 1 1857 . 1 1 118 118 CYS HA H 1 4.275 0.003 . 1 . . . . A 589 CYS HA . 18462 1 1858 . 1 1 118 118 CYS HB2 H 1 2.81 0.003 . 2 . . . . A 589 CYS HB2 . 18462 1 1859 . 1 1 118 118 CYS HB3 H 1 2.692 0.003 . 2 . . . . A 589 CYS HB3 . 18462 1 1860 . 1 1 118 118 CYS C C 13 174.401 0.100 . 1 . . . . A 589 CYS C . 18462 1 1861 . 1 1 118 118 CYS CA C 13 58.289 0.100 . 1 . . . . A 589 CYS CA . 18462 1 1862 . 1 1 118 118 CYS CB C 13 26.413 0.100 . 1 . . . . A 589 CYS CB . 18462 1 1863 . 1 1 118 118 CYS N N 15 124.057 0.050 . 1 . . . . A 589 CYS N . 18462 1 1864 . 1 1 119 119 ARG H H 1 11.220 0.003 . 1 . . . . A 590 ARG H . 18462 1 1865 . 1 1 119 119 ARG HA H 1 4.689 0.003 . 1 . . . . A 590 ARG HA . 18462 1 1866 . 1 1 119 119 ARG HB2 H 1 1.952 0.003 . 2 . . . . A 590 ARG HB2 . 18462 1 1867 . 1 1 119 119 ARG HB3 H 1 1.755 0.003 . 2 . . . . A 590 ARG HB3 . 18462 1 1868 . 1 1 119 119 ARG HG2 H 1 1.755 0.003 . 2 . . . . A 590 ARG HG2 . 18462 1 1869 . 1 1 119 119 ARG HG3 H 1 1.663 0.003 . 2 . . . . A 590 ARG HG3 . 18462 1 1870 . 1 1 119 119 ARG HD2 H 1 3.17 0.003 . 2 . . . . A 590 ARG HD2 . 18462 1 1871 . 1 1 119 119 ARG HD3 H 1 3.17 0.003 . 2 . . . . A 590 ARG HD3 . 18462 1 1872 . 1 1 119 119 ARG C C 13 175.091 0.100 . 1 . . . . A 590 ARG C . 18462 1 1873 . 1 1 119 119 ARG CA C 13 55.241 0.100 . 1 . . . . A 590 ARG CA . 18462 1 1874 . 1 1 119 119 ARG CB C 13 30.633 0.100 . 1 . . . . A 590 ARG CB . 18462 1 1875 . 1 1 119 119 ARG CG C 13 26.647 0.100 . 1 . . . . A 590 ARG CG . 18462 1 1876 . 1 1 119 119 ARG CD C 13 42.356 0.100 . 1 . . . . A 590 ARG CD . 18462 1 1877 . 1 1 119 119 ARG N N 15 130.942 0.050 . 1 . . . . A 590 ARG N . 18462 1 1878 . 1 1 120 120 SER H H 1 9.571 0.003 . 1 . . . . A 591 SER H . 18462 1 1879 . 1 1 120 120 SER HA H 1 4.342 0.003 . 1 . . . . A 591 SER HA . 18462 1 1880 . 1 1 120 120 SER HB2 H 1 4.046 0.003 . 2 . . . . A 591 SER HB2 . 18462 1 1881 . 1 1 120 120 SER HB3 H 1 3.854 0.003 . 2 . . . . A 591 SER HB3 . 18462 1 1882 . 1 1 120 120 SER C C 13 178.367 0.100 . 1 . . . . A 591 SER C . 18462 1 1883 . 1 1 120 120 SER CA C 13 59.695 0.100 . 1 . . . . A 591 SER CA . 18462 1 1884 . 1 1 120 120 SER CB C 13 61.923 0.100 . 1 . . . . A 591 SER CB . 18462 1 1885 . 1 1 120 120 SER N N 15 117.243 0.050 . 1 . . . . A 591 SER N . 18462 1 1886 . 1 1 121 121 LEU H H 1 7.369 0.003 . 1 . . . . A 592 LEU H . 18462 1 1887 . 1 1 121 121 LEU HA H 1 4.778 0.003 . 1 . . . . A 592 LEU HA . 18462 1 1888 . 1 1 121 121 LEU HB2 H 1 1.787 0.003 . 2 . . . . A 592 LEU HB2 . 18462 1 1889 . 1 1 121 121 LEU HB3 H 1 1.591 0.003 . 2 . . . . A 592 LEU HB3 . 18462 1 1890 . 1 1 121 121 LEU HD11 H 1 1.119 0.003 . 2 . . . . A 592 LEU HD11 . 18462 1 1891 . 1 1 121 121 LEU HD12 H 1 1.119 0.003 . 2 . . . . A 592 LEU HD12 . 18462 1 1892 . 1 1 121 121 LEU HD13 H 1 1.119 0.003 . 2 . . . . A 592 LEU HD13 . 18462 1 1893 . 1 1 121 121 LEU HD21 H 1 1.006 0.003 . 2 . . . . A 592 LEU HD21 . 18462 1 1894 . 1 1 121 121 LEU HD22 H 1 1.006 0.003 . 2 . . . . A 592 LEU HD22 . 18462 1 1895 . 1 1 121 121 LEU HD23 H 1 1.006 0.003 . 2 . . . . A 592 LEU HD23 . 18462 1 1896 . 1 1 121 121 LEU C C 13 173.260 0.100 . 1 . . . . A 592 LEU C . 18462 1 1897 . 1 1 121 121 LEU CA C 13 52.846 0.100 . 1 . . . . A 592 LEU CA . 18462 1 1898 . 1 1 121 121 LEU CB C 13 45.404 0.100 . 1 . . . . A 592 LEU CB . 18462 1 1899 . 1 1 121 121 LEU CD1 C 13 23.142 0.100 . 1 . . . . A 592 LEU CD1 . 18462 1 1900 . 1 1 121 121 LEU CD2 C 13 27.983 0.100 . 1 . . . . A 592 LEU CD2 . 18462 1 1901 . 1 1 121 121 LEU N N 15 121.308 0.050 . 1 . . . . A 592 LEU N . 18462 1 1902 . 1 1 122 122 GLN H H 1 8.599 0.003 . 1 . . . . A 593 GLN H . 18462 1 1903 . 1 1 122 122 GLN HA H 1 4.564 0.003 . 1 . . . . A 593 GLN HA . 18462 1 1904 . 1 1 122 122 GLN HB2 H 1 2.132 0.003 . 2 . . . . A 593 GLN HB2 . 18462 1 1905 . 1 1 122 122 GLN HB3 H 1 2.015 0.003 . 2 . . . . A 593 GLN HB3 . 18462 1 1906 . 1 1 122 122 GLN HG2 H 1 2.338 0.003 . 2 . . . . A 593 GLN HG2 . 18462 1 1907 . 1 1 122 122 GLN HG3 H 1 2.342 0.003 . 2 . . . . A 593 GLN HG3 . 18462 1 1908 . 1 1 122 122 GLN HE21 H 1 7.612 0.003 . 2 . . . . A 593 GLN HE21 . 18462 1 1909 . 1 1 122 122 GLN HE22 H 1 6.836 0.003 . 2 . . . . A 593 GLN HE22 . 18462 1 1910 . 1 1 122 122 GLN C C 13 175.827 0.100 . 1 . . . . A 593 GLN C . 18462 1 1911 . 1 1 122 122 GLN CA C 13 54.303 0.100 . 1 . . . . A 593 GLN CA . 18462 1 1912 . 1 1 122 122 GLN CB C 13 26.882 0.100 . 1 . . . . A 593 GLN CB . 18462 1 1913 . 1 1 122 122 GLN CG C 13 33.212 0.100 . 1 . . . . A 593 GLN CG . 18462 1 1914 . 1 1 122 122 GLN N N 15 122.109 0.050 . 1 . . . . A 593 GLN N . 18462 1 1915 . 1 1 122 122 GLN NE2 N 15 112.789 0.050 . 1 . . . . A 593 GLN NE2 . 18462 1 1916 . 1 1 123 123 ILE H H 1 7.635 0.003 . 1 . . . . A 594 ILE H . 18462 1 1917 . 1 1 123 123 ILE HA H 1 4.755 0.003 . 1 . . . . A 594 ILE HA . 18462 1 1918 . 1 1 123 123 ILE HB H 1 2.039 0.003 . 1 . . . . A 594 ILE HB . 18462 1 1919 . 1 1 123 123 ILE HG12 H 1 1.433 0.003 . 2 . . . . A 594 ILE HG12 . 18462 1 1920 . 1 1 123 123 ILE HG13 H 1 0.84 0.003 . 2 . . . . A 594 ILE HG13 . 18462 1 1921 . 1 1 123 123 ILE HG21 H 1 1.004 0.003 . 1 . . . . A 594 ILE HG21 . 18462 1 1922 . 1 1 123 123 ILE HG22 H 1 1.004 0.003 . 1 . . . . A 594 ILE HG22 . 18462 1 1923 . 1 1 123 123 ILE HG23 H 1 1.004 0.003 . 1 . . . . A 594 ILE HG23 . 18462 1 1924 . 1 1 123 123 ILE HD11 H 1 0.998 0.003 . 1 . . . . A 594 ILE HD11 . 18462 1 1925 . 1 1 123 123 ILE HD12 H 1 0.998 0.003 . 1 . . . . A 594 ILE HD12 . 18462 1 1926 . 1 1 123 123 ILE HD13 H 1 0.998 0.003 . 1 . . . . A 594 ILE HD13 . 18462 1 1927 . 1 1 123 123 ILE C C 13 175.093 0.100 . 1 . . . . A 594 ILE C . 18462 1 1928 . 1 1 123 123 ILE CA C 13 58.831 0.100 . 1 . . . . A 594 ILE CA . 18462 1 1929 . 1 1 123 123 ILE CB C 13 42.591 0.100 . 1 . . . . A 594 ILE CB . 18462 1 1930 . 1 1 123 123 ILE CG1 C 13 23.61 0.100 . 1 . . . . A 594 ILE CG1 . 18462 1 1931 . 1 1 123 123 ILE CG2 C 13 17.983 0.100 . 1 . . . . A 594 ILE CG2 . 18462 1 1932 . 1 1 123 123 ILE CD1 C 13 13.529 0.100 . 1 . . . . A 594 ILE CD1 . 18462 1 1933 . 1 1 123 123 ILE N N 15 118.085 0.050 . 1 . . . . A 594 ILE N . 18462 1 1934 . 1 1 124 124 ARG H H 1 9.075 0.003 . 1 . . . . A 595 ARG H . 18462 1 1935 . 1 1 124 124 ARG HA H 1 4.038 0.003 . 1 . . . . A 595 ARG HA . 18462 1 1936 . 1 1 124 124 ARG HB2 H 1 1.869 0.003 . 2 . . . . A 595 ARG HB2 . 18462 1 1937 . 1 1 124 124 ARG HB3 H 1 1.435 0.003 . 2 . . . . A 595 ARG HB3 . 18462 1 1938 . 1 1 124 124 ARG HG2 H 1 1.57 0.003 . 2 . . . . A 595 ARG HG2 . 18462 1 1939 . 1 1 124 124 ARG HG3 H 1 1.157 0.003 . 2 . . . . A 595 ARG HG3 . 18462 1 1940 . 1 1 124 124 ARG HD2 H 1 3.214 0.003 . 2 . . . . A 595 ARG HD2 . 18462 1 1941 . 1 1 124 124 ARG HD3 H 1 3.085 0.003 . 2 . . . . A 595 ARG HD3 . 18462 1 1942 . 1 1 124 124 ARG HE H 1 6.697 0.003 . 1 . . . . A 595 ARG HE . 18462 1 1943 . 1 1 124 124 ARG C C 13 175.440 0.100 . 1 . . . . A 595 ARG C . 18462 1 1944 . 1 1 124 124 ARG CA C 13 56.386 0.100 . 1 . . . . A 595 ARG CA . 18462 1 1945 . 1 1 124 124 ARG CB C 13 30.516 0.100 . 1 . . . . A 595 ARG CB . 18462 1 1946 . 1 1 124 124 ARG CG C 13 25.71 0.100 . 1 . . . . A 595 ARG CG . 18462 1 1947 . 1 1 124 124 ARG N N 15 123.800 0.050 . 1 . . . . A 595 ARG N . 18462 1 1948 . 1 1 124 124 ARG NE N 15 85.065 0.050 . 1 . . . . A 595 ARG NE . 18462 1 1949 . 1 1 125 125 GLN H H 1 8.495 0.003 . 1 . . . . A 596 GLN H . 18462 1 1950 . 1 1 125 125 GLN HA H 1 4.42 0.003 . 1 . . . . A 596 GLN HA . 18462 1 1951 . 1 1 125 125 GLN HB2 H 1 1.998 0.003 . 2 . . . . A 596 GLN HB2 . 18462 1 1952 . 1 1 125 125 GLN HB3 H 1 1.998 0.003 . 2 . . . . A 596 GLN HB3 . 18462 1 1953 . 1 1 125 125 GLN HG2 H 1 2.436 0.003 . 2 . . . . A 596 GLN HG2 . 18462 1 1954 . 1 1 125 125 GLN HG3 H 1 2.428 0.003 . 2 . . . . A 596 GLN HG3 . 18462 1 1955 . 1 1 125 125 GLN HE21 H 1 7.671 0.003 . 2 . . . . A 596 GLN HE21 . 18462 1 1956 . 1 1 125 125 GLN HE22 H 1 6.909 0.003 . 2 . . . . A 596 GLN HE22 . 18462 1 1957 . 1 1 125 125 GLN C C 13 174.630 0.100 . 1 . . . . A 596 GLN C . 18462 1 1958 . 1 1 125 125 GLN CA C 13 52.907 0.100 . 1 . . . . A 596 GLN CA . 18462 1 1959 . 1 1 125 125 GLN CB C 13 30.164 0.100 . 1 . . . . A 596 GLN CB . 18462 1 1960 . 1 1 125 125 GLN CG C 13 32.978 0.100 . 1 . . . . A 596 GLN CG . 18462 1 1961 . 1 1 125 125 GLN N N 15 124.290 0.050 . 1 . . . . A 596 GLN N . 18462 1 1962 . 1 1 125 125 GLN NE2 N 15 113.273 0.050 . 1 . . . . A 596 GLN NE2 . 18462 1 1963 . 1 1 126 126 TYR H H 1 7.966 0.003 . 1 . . . . A 597 TYR H . 18462 1 1964 . 1 1 126 126 TYR HA H 1 4.767 0.003 . 1 . . . . A 597 TYR HA . 18462 1 1965 . 1 1 126 126 TYR HB2 H 1 2.979 0.003 . 2 . . . . A 597 TYR HB2 . 18462 1 1966 . 1 1 126 126 TYR HB3 H 1 2.414 0.003 . 2 . . . . A 597 TYR HB3 . 18462 1 1967 . 1 1 126 126 TYR HD1 H 1 7.348 0.003 . 1 . . . . A 597 TYR HD1 . 18462 1 1968 . 1 1 126 126 TYR HD2 H 1 7.348 0.003 . 1 . . . . A 597 TYR HD2 . 18462 1 1969 . 1 1 126 126 TYR HE1 H 1 6.975 0.003 . 1 . . . . A 597 TYR HE1 . 18462 1 1970 . 1 1 126 126 TYR HE2 H 1 6.975 0.003 . 1 . . . . A 597 TYR HE2 . 18462 1 1971 . 1 1 126 126 TYR C C 13 175.453 0.100 . 1 . . . . A 597 TYR C . 18462 1 1972 . 1 1 126 126 TYR CA C 13 57.467 0.100 . 1 . . . . A 597 TYR CA . 18462 1 1973 . 1 1 126 126 TYR CB C 13 38.839 0.100 . 1 . . . . A 597 TYR CB . 18462 1 1974 . 1 1 126 126 TYR CD1 C 13 132.823 0.100 . 1 . . . . A 597 TYR CD1 . 18462 1 1975 . 1 1 126 126 TYR CD2 C 13 132.823 0.100 . 1 . . . . A 597 TYR CD2 . 18462 1 1976 . 1 1 126 126 TYR CE1 C 13 117.605 0.100 . 1 . . . . A 597 TYR CE1 . 18462 1 1977 . 1 1 126 126 TYR CE2 C 13 117.605 0.100 . 1 . . . . A 597 TYR CE2 . 18462 1 1978 . 1 1 126 126 TYR N N 15 121.829 0.050 . 1 . . . . A 597 TYR N . 18462 1 1979 . 1 1 127 127 ALA H H 1 9.54 0.003 . 1 . . . . A 598 ALA H . 18462 1 1980 . 1 1 127 127 ALA HA H 1 4.191 0.003 . 1 . . . . A 598 ALA HA . 18462 1 1981 . 1 1 127 127 ALA HB1 H 1 1.549 0.003 . 1 . . . . A 598 ALA HB1 . 18462 1 1982 . 1 1 127 127 ALA HB2 H 1 1.549 0.003 . 1 . . . . A 598 ALA HB2 . 18462 1 1983 . 1 1 127 127 ALA HB3 H 1 1.549 0.003 . 1 . . . . A 598 ALA HB3 . 18462 1 1984 . 1 1 127 127 ALA C C 13 177.425 0.100 . 1 . . . . A 598 ALA C . 18462 1 1985 . 1 1 127 127 ALA CA C 13 54.04 0.100 . 1 . . . . A 598 ALA CA . 18462 1 1986 . 1 1 127 127 ALA CB C 13 17.749 0.100 . 1 . . . . A 598 ALA CB . 18462 1 1987 . 1 1 127 127 ALA N N 15 129.272 0.050 . 1 . . . . A 598 ALA N . 18462 1 1988 . 1 1 128 128 TYR H H 1 8.496 0.003 . 1 . . . . A 599 TYR H . 18462 1 1989 . 1 1 128 128 TYR HA H 1 4.56 0.003 . 1 . . . . A 599 TYR HA . 18462 1 1990 . 1 1 128 128 TYR HB2 H 1 3.224 0.003 . 2 . . . . A 599 TYR HB2 . 18462 1 1991 . 1 1 128 128 TYR HB3 H 1 3.015 0.003 . 2 . . . . A 599 TYR HB3 . 18462 1 1992 . 1 1 128 128 TYR HD1 H 1 7.136 0.003 . 1 . . . . A 599 TYR HD1 . 18462 1 1993 . 1 1 128 128 TYR HD2 H 1 7.136 0.003 . 1 . . . . A 599 TYR HD2 . 18462 1 1994 . 1 1 128 128 TYR HE1 H 1 6.494 0.003 . 1 . . . . A 599 TYR HE1 . 18462 1 1995 . 1 1 128 128 TYR HE2 H 1 6.494 0.003 . 1 . . . . A 599 TYR HE2 . 18462 1 1996 . 1 1 128 128 TYR C C 13 173.276 0.100 . 1 . . . . A 599 TYR C . 18462 1 1997 . 1 1 128 128 TYR CA C 13 58.172 0.100 . 1 . . . . A 599 TYR CA . 18462 1 1998 . 1 1 128 128 TYR CB C 13 36.432 0.100 . 1 . . . . A 599 TYR CB . 18462 1 1999 . 1 1 128 128 TYR CD1 C 13 132.782 0.100 . 1 . . . . A 599 TYR CD1 . 18462 1 2000 . 1 1 128 128 TYR CD2 C 13 132.782 0.100 . 1 . . . . A 599 TYR CD2 . 18462 1 2001 . 1 1 128 128 TYR CE1 C 13 117.262 0.100 . 1 . . . . A 599 TYR CE1 . 18462 1 2002 . 1 1 128 128 TYR CE2 C 13 117.262 0.100 . 1 . . . . A 599 TYR CE2 . 18462 1 2003 . 1 1 128 128 TYR N N 15 115.845 0.050 . 1 . . . . A 599 TYR N . 18462 1 2004 . 1 1 129 129 LEU H H 1 7.299 0.003 . 1 . . . . A 600 LEU H . 18462 1 2005 . 1 1 129 129 LEU HA H 1 4.26 0.003 . 1 . . . . A 600 LEU HA . 18462 1 2006 . 1 1 129 129 LEU HB2 H 1 1.736 0.003 . 2 . . . . A 600 LEU HB2 . 18462 1 2007 . 1 1 129 129 LEU HB3 H 1 1.384 0.003 . 2 . . . . A 600 LEU HB3 . 18462 1 2008 . 1 1 129 129 LEU HG H 1 1.093 0.003 . 1 . . . . A 600 LEU HG . 18462 1 2009 . 1 1 129 129 LEU HD11 H 1 0.856 0.003 . 1 . . . . A 600 LEU HD11 . 18462 1 2010 . 1 1 129 129 LEU HD12 H 1 0.856 0.003 . 1 . . . . A 600 LEU HD12 . 18462 1 2011 . 1 1 129 129 LEU HD13 H 1 0.856 0.003 . 1 . . . . A 600 LEU HD13 . 18462 1 2012 . 1 1 129 129 LEU HD21 H 1 0.728 0.003 . 1 . . . . A 600 LEU HD21 . 18462 1 2013 . 1 1 129 129 LEU HD22 H 1 0.728 0.003 . 1 . . . . A 600 LEU HD22 . 18462 1 2014 . 1 1 129 129 LEU HD23 H 1 0.728 0.003 . 1 . . . . A 600 LEU HD23 . 18462 1 2015 . 1 1 129 129 LEU C C 13 176.164 0.100 . 1 . . . . A 600 LEU C . 18462 1 2016 . 1 1 129 129 LEU CA C 13 54.303 0.100 . 1 . . . . A 600 LEU CA . 18462 1 2017 . 1 1 129 129 LEU CB C 13 41.419 0.100 . 1 . . . . A 600 LEU CB . 18462 1 2018 . 1 1 129 129 LEU CG C 13 25.71 0.100 . 1 . . . . A 600 LEU CG . 18462 1 2019 . 1 1 129 129 LEU CD1 C 13 25.475 0.100 . 1 . . . . A 600 LEU CD1 . 18462 1 2020 . 1 1 129 129 LEU CD2 C 13 22.204 0.100 . 1 . . . . A 600 LEU CD2 . 18462 1 2021 . 1 1 129 129 LEU N N 15 120.764 0.050 . 1 . . . . A 600 LEU N . 18462 1 2022 . 1 1 130 130 SER H H 1 7.896 0.003 . 1 . . . . A 601 SER H . 18462 1 2023 . 1 1 130 130 SER HA H 1 4.418 0.003 . 1 . . . . A 601 SER HA . 18462 1 2024 . 1 1 130 130 SER HB2 H 1 3.94 0.003 . 2 . . . . A 601 SER HB2 . 18462 1 2025 . 1 1 130 130 SER HB3 H 1 3.901 0.003 . 2 . . . . A 601 SER HB3 . 18462 1 2026 . 1 1 130 130 SER C C 13 177.754 0.100 . 1 . . . . A 601 SER C . 18462 1 2027 . 1 1 130 130 SER CA C 13 58.054 0.100 . 1 . . . . A 601 SER CA . 18462 1 2028 . 1 1 130 130 SER CB C 13 63.212 0.100 . 1 . . . . A 601 SER CB . 18462 1 2029 . 1 1 130 130 SER N N 15 114.419 0.050 . 1 . . . . A 601 SER N . 18462 1 2030 . 1 1 131 131 ASP H H 1 8.257 0.003 . 1 . . . . A 602 ASP H . 18462 1 2031 . 1 1 131 131 ASP HA H 1 4.651 0.003 . 1 . . . . A 602 ASP HA . 18462 1 2032 . 1 1 131 131 ASP HB2 H 1 2.762 0.003 . 2 . . . . A 602 ASP HB2 . 18462 1 2033 . 1 1 131 131 ASP HB3 H 1 2.699 0.003 . 2 . . . . A 602 ASP HB3 . 18462 1 2034 . 1 1 131 131 ASP C C 13 174.087 0.100 . 1 . . . . A 602 ASP C . 18462 1 2035 . 1 1 131 131 ASP CA C 13 53.845 0.100 . 1 . . . . A 602 ASP CA . 18462 1 2036 . 1 1 131 131 ASP CB C 13 40.481 0.100 . 1 . . . . A 602 ASP CB . 18462 1 2037 . 1 1 131 131 ASP N N 15 122.293 0.050 . 1 . . . . A 602 ASP N . 18462 1 2038 . 1 1 132 132 ARG H H 1 8.234 0.003 . 1 . . . . A 603 ARG H . 18462 1 2039 . 1 1 132 132 ARG HA H 1 4.454 0.003 . 1 . . . . A 603 ARG HA . 18462 1 2040 . 1 1 132 132 ARG HB2 H 1 1.968 0.003 . 2 . . . . A 603 ARG HB2 . 18462 1 2041 . 1 1 132 132 ARG HB3 H 1 1.797 0.003 . 2 . . . . A 603 ARG HB3 . 18462 1 2042 . 1 1 132 132 ARG HG2 H 1 1.69 0.003 . 2 . . . . A 603 ARG HG2 . 18462 1 2043 . 1 1 132 132 ARG HG3 H 1 1.669 0.003 . 2 . . . . A 603 ARG HG3 . 18462 1 2044 . 1 1 132 132 ARG HD2 H 1 3.22 0.003 . 2 . . . . A 603 ARG HD2 . 18462 1 2045 . 1 1 132 132 ARG HD3 H 1 3.22 0.003 . 2 . . . . A 603 ARG HD3 . 18462 1 2046 . 1 1 132 132 ARG C C 13 176.111 0.100 . 1 . . . . A 603 ARG C . 18462 1 2047 . 1 1 132 132 ARG CA C 13 55.241 0.100 . 1 . . . . A 603 ARG CA . 18462 1 2048 . 1 1 132 132 ARG CB C 13 30.164 0.100 . 1 . . . . A 603 ARG CB . 18462 1 2049 . 1 1 132 132 ARG CG C 13 26.179 0.100 . 1 . . . . A 603 ARG CG . 18462 1 2050 . 1 1 132 132 ARG CD C 13 42.825 0.100 . 1 . . . . A 603 ARG CD . 18462 1 2051 . 1 1 132 132 ARG N N 15 121.398 0.050 . 1 . . . . A 603 ARG N . 18462 1 2052 . 1 1 133 133 SER H H 1 8.047 0.003 . 1 . . . . A 604 SER H . 18462 1 2053 . 1 1 133 133 SER HA H 1 4.268 0.003 . 1 . . . . A 604 SER HA . 18462 1 2054 . 1 1 133 133 SER HB2 H 1 3.89 0.003 . 2 . . . . A 604 SER HB2 . 18462 1 2055 . 1 1 133 133 SER HB3 H 1 3.89 0.003 . 2 . . . . A 604 SER HB3 . 18462 1 2056 . 1 1 133 133 SER C C 13 175.545 0.100 . 1 . . . . A 604 SER C . 18462 1 2057 . 1 1 133 133 SER CA C 13 59.461 0.100 . 1 . . . . A 604 SER CA . 18462 1 2058 . 1 1 133 133 SER CB C 13 64.15 0.100 . 1 . . . . A 604 SER CB . 18462 1 2059 . 1 1 133 133 SER N N 15 122.800 0.050 . 1 . . . . A 604 SER N . 18462 1 stop_ save_