data_30093 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30093 _Entry.Title ; NMR structure of foldswitch-stablized KaiB in complex with pseudo receiver domain of CikA from Thermosynechococcus elongatus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-05-15 _Entry.Accession_date 2016-05-15 _Entry.Last_release_date 2016-05-25 _Entry.Original_release_date 2016-05-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1.2.6 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Roger Tseng R. D. . . 30093 2 Andy Wang A. L. . . 30093 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Circadian Clock' . 30093 'Signaling protein complex' . 30093 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 30093 spectral_peak_list 8 30093 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 932 30093 '15N chemical shifts' 200 30093 '1H chemical shifts' 1505 30093 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-08-05 2016-05-15 update BMRB 'update entry citation' 30093 1 . . 2017-03-23 2016-05-15 original author 'original release' 30093 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 30091 'Circadian clock protein KaiB' 30093 BMRB 30092 'pseudo receiver domain of CikA' 30093 PDB 5JYV 'BMRB Entry Tracking System' 30093 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30093 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 28302851 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural basis of the day-night transition in a bacterial circadian clock ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Science _Citation.Journal_name_full 'Science (New York, N.Y.)' _Citation.Journal_volume 355 _Citation.Journal_issue 6330 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1095-9203 _Citation.Journal_CSD 0353 _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 1174 _Citation.Page_last 1180 _Citation.Year 2017 _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 Roger Tseng R. . . . 30093 1 2 Nicolette Goularte N. F. . . 30093 1 3 Archana Chavan A. . . . 30093 1 4 Jansen Luu J. . . . 30093 1 5 Susan Cohen S. E. . . 30093 1 6 Yong-Gang Chang Y. G. . . 30093 1 7 Joel Heisler J. . . . 30093 1 8 Sheng Li S. . . . 30093 1 9 Alicia Michael A. K. . . 30093 1 10 Sarvind Tripathi S. . . . 30093 1 11 Susan Golden S. S. . . 30093 1 12 Andy LiWang A. . . . 30093 1 13 Carrie Partch C. L. . . 30093 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30093 _Assembly.ID 1 _Assembly.Name 'Two-component sensor histidine kinase, Circadian clock protein KaiB' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 entity_1 1 $entity_1 A A yes . . . . . . 30093 1 2 entity_2 2 $entity_2 B B yes . . . . . . 30093 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30093 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Two-component sensor histidine kinase' _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 ; EGRIVLVSEDEATSTLICSI LTTAGYQVIWLVDGEVERLL ALTPIAVLLAEPFSYGDVQE LVDQLRQRCTPEQLKIFILG SKGNYQGVDRYIPLPIHPES FLQQVTMGLTSLATSAQ ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12899.736 _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 1 613 GLU . 30093 1 2 614 GLY . 30093 1 3 615 ARG . 30093 1 4 616 ILE . 30093 1 5 617 VAL . 30093 1 6 618 LEU . 30093 1 7 619 VAL . 30093 1 8 620 SER . 30093 1 9 621 GLU . 30093 1 10 622 ASP . 30093 1 11 623 GLU . 30093 1 12 624 ALA . 30093 1 13 625 THR . 30093 1 14 626 SER . 30093 1 15 627 THR . 30093 1 16 628 LEU . 30093 1 17 629 ILE . 30093 1 18 630 CYS . 30093 1 19 631 SER . 30093 1 20 632 ILE . 30093 1 21 633 LEU . 30093 1 22 634 THR . 30093 1 23 635 THR . 30093 1 24 636 ALA . 30093 1 25 637 GLY . 30093 1 26 638 TYR . 30093 1 27 639 GLN . 30093 1 28 640 VAL . 30093 1 29 641 ILE . 30093 1 30 642 TRP . 30093 1 31 643 LEU . 30093 1 32 644 VAL . 30093 1 33 645 ASP . 30093 1 34 646 GLY . 30093 1 35 647 GLU . 30093 1 36 648 VAL . 30093 1 37 649 GLU . 30093 1 38 650 ARG . 30093 1 39 651 LEU . 30093 1 40 652 LEU . 30093 1 41 653 ALA . 30093 1 42 654 LEU . 30093 1 43 655 THR . 30093 1 44 656 PRO . 30093 1 45 657 ILE . 30093 1 46 658 ALA . 30093 1 47 659 VAL . 30093 1 48 660 LEU . 30093 1 49 661 LEU . 30093 1 50 662 ALA . 30093 1 51 663 GLU . 30093 1 52 664 PRO . 30093 1 53 665 PHE . 30093 1 54 666 SER . 30093 1 55 667 TYR . 30093 1 56 668 GLY . 30093 1 57 669 ASP . 30093 1 58 670 VAL . 30093 1 59 671 GLN . 30093 1 60 672 GLU . 30093 1 61 673 LEU . 30093 1 62 674 VAL . 30093 1 63 675 ASP . 30093 1 64 676 GLN . 30093 1 65 677 LEU . 30093 1 66 678 ARG . 30093 1 67 679 GLN . 30093 1 68 680 ARG . 30093 1 69 681 CYS . 30093 1 70 682 THR . 30093 1 71 683 PRO . 30093 1 72 684 GLU . 30093 1 73 685 GLN . 30093 1 74 686 LEU . 30093 1 75 687 LYS . 30093 1 76 688 ILE . 30093 1 77 689 PHE . 30093 1 78 690 ILE . 30093 1 79 691 LEU . 30093 1 80 692 GLY . 30093 1 81 693 SER . 30093 1 82 694 LYS . 30093 1 83 695 GLY . 30093 1 84 696 ASN . 30093 1 85 697 TYR . 30093 1 86 698 GLN . 30093 1 87 699 GLY . 30093 1 88 700 VAL . 30093 1 89 701 ASP . 30093 1 90 702 ARG . 30093 1 91 703 TYR . 30093 1 92 704 ILE . 30093 1 93 705 PRO . 30093 1 94 706 LEU . 30093 1 95 707 PRO . 30093 1 96 708 ILE . 30093 1 97 709 HIS . 30093 1 98 710 PRO . 30093 1 99 711 GLU . 30093 1 100 712 SER . 30093 1 101 713 PHE . 30093 1 102 714 LEU . 30093 1 103 715 GLN . 30093 1 104 716 GLN . 30093 1 105 717 VAL . 30093 1 106 718 THR . 30093 1 107 719 MET . 30093 1 108 720 GLY . 30093 1 109 721 LEU . 30093 1 110 722 THR . 30093 1 111 723 SER . 30093 1 112 724 LEU . 30093 1 113 725 ALA . 30093 1 114 726 THR . 30093 1 115 727 SER . 30093 1 116 728 ALA . 30093 1 117 729 GLN . 30093 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 . GLU 1 1 30093 1 . GLY 2 2 30093 1 . ARG 3 3 30093 1 . ILE 4 4 30093 1 . VAL 5 5 30093 1 . LEU 6 6 30093 1 . VAL 7 7 30093 1 . SER 8 8 30093 1 . GLU 9 9 30093 1 . ASP 10 10 30093 1 . GLU 11 11 30093 1 . ALA 12 12 30093 1 . THR 13 13 30093 1 . SER 14 14 30093 1 . THR 15 15 30093 1 . LEU 16 16 30093 1 . ILE 17 17 30093 1 . CYS 18 18 30093 1 . SER 19 19 30093 1 . ILE 20 20 30093 1 . LEU 21 21 30093 1 . THR 22 22 30093 1 . THR 23 23 30093 1 . ALA 24 24 30093 1 . GLY 25 25 30093 1 . TYR 26 26 30093 1 . GLN 27 27 30093 1 . VAL 28 28 30093 1 . ILE 29 29 30093 1 . TRP 30 30 30093 1 . LEU 31 31 30093 1 . VAL 32 32 30093 1 . ASP 33 33 30093 1 . GLY 34 34 30093 1 . GLU 35 35 30093 1 . VAL 36 36 30093 1 . GLU 37 37 30093 1 . ARG 38 38 30093 1 . LEU 39 39 30093 1 . LEU 40 40 30093 1 . ALA 41 41 30093 1 . LEU 42 42 30093 1 . THR 43 43 30093 1 . PRO 44 44 30093 1 . ILE 45 45 30093 1 . ALA 46 46 30093 1 . VAL 47 47 30093 1 . LEU 48 48 30093 1 . LEU 49 49 30093 1 . ALA 50 50 30093 1 . GLU 51 51 30093 1 . PRO 52 52 30093 1 . PHE 53 53 30093 1 . SER 54 54 30093 1 . TYR 55 55 30093 1 . GLY 56 56 30093 1 . ASP 57 57 30093 1 . VAL 58 58 30093 1 . GLN 59 59 30093 1 . GLU 60 60 30093 1 . LEU 61 61 30093 1 . VAL 62 62 30093 1 . ASP 63 63 30093 1 . GLN 64 64 30093 1 . LEU 65 65 30093 1 . ARG 66 66 30093 1 . GLN 67 67 30093 1 . ARG 68 68 30093 1 . CYS 69 69 30093 1 . THR 70 70 30093 1 . PRO 71 71 30093 1 . GLU 72 72 30093 1 . GLN 73 73 30093 1 . LEU 74 74 30093 1 . LYS 75 75 30093 1 . ILE 76 76 30093 1 . PHE 77 77 30093 1 . ILE 78 78 30093 1 . LEU 79 79 30093 1 . GLY 80 80 30093 1 . SER 81 81 30093 1 . LYS 82 82 30093 1 . GLY 83 83 30093 1 . ASN 84 84 30093 1 . TYR 85 85 30093 1 . GLN 86 86 30093 1 . GLY 87 87 30093 1 . VAL 88 88 30093 1 . ASP 89 89 30093 1 . ARG 90 90 30093 1 . TYR 91 91 30093 1 . ILE 92 92 30093 1 . PRO 93 93 30093 1 . LEU 94 94 30093 1 . PRO 95 95 30093 1 . ILE 96 96 30093 1 . HIS 97 97 30093 1 . PRO 98 98 30093 1 . GLU 99 99 30093 1 . SER 100 100 30093 1 . PHE 101 101 30093 1 . LEU 102 102 30093 1 . GLN 103 103 30093 1 . GLN 104 104 30093 1 . VAL 105 105 30093 1 . THR 106 106 30093 1 . MET 107 107 30093 1 . GLY 108 108 30093 1 . LEU 109 109 30093 1 . THR 110 110 30093 1 . SER 111 111 30093 1 . LEU 112 112 30093 1 . ALA 113 113 30093 1 . THR 114 114 30093 1 . SER 115 115 30093 1 . ALA 116 116 30093 1 . GLN 117 117 30093 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 30093 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'Circadian clock protein KaiB' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAPLRKTAVLKLYVAGNTPN SVRALKTLANILEKEFKGVY ALKVIDVLKNPQLAEEDKIL ATPTLAKVLPPPVRRIIGDL SNREKVLIALRLLAEEIGDY KDDDDK ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation 'Y8A, Y94A, N29A, G89A, D91R, FLAG tag C-terminus insertion, C-terminal truncation after Residue D99' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11779.870 _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 MET . 30093 2 2 2 ALA . 30093 2 3 3 PRO . 30093 2 4 4 LEU . 30093 2 5 5 ARG . 30093 2 6 6 LYS . 30093 2 7 7 THR . 30093 2 8 8 ALA . 30093 2 9 9 VAL . 30093 2 10 10 LEU . 30093 2 11 11 LYS . 30093 2 12 12 LEU . 30093 2 13 13 TYR . 30093 2 14 14 VAL . 30093 2 15 15 ALA . 30093 2 16 16 GLY . 30093 2 17 17 ASN . 30093 2 18 18 THR . 30093 2 19 19 PRO . 30093 2 20 20 ASN . 30093 2 21 21 SER . 30093 2 22 22 VAL . 30093 2 23 23 ARG . 30093 2 24 24 ALA . 30093 2 25 25 LEU . 30093 2 26 26 LYS . 30093 2 27 27 THR . 30093 2 28 28 LEU . 30093 2 29 29 ALA . 30093 2 30 30 ASN . 30093 2 31 31 ILE . 30093 2 32 32 LEU . 30093 2 33 33 GLU . 30093 2 34 34 LYS . 30093 2 35 35 GLU . 30093 2 36 36 PHE . 30093 2 37 37 LYS . 30093 2 38 38 GLY . 30093 2 39 39 VAL . 30093 2 40 40 TYR . 30093 2 41 41 ALA . 30093 2 42 42 LEU . 30093 2 43 43 LYS . 30093 2 44 44 VAL . 30093 2 45 45 ILE . 30093 2 46 46 ASP . 30093 2 47 47 VAL . 30093 2 48 48 LEU . 30093 2 49 49 LYS . 30093 2 50 50 ASN . 30093 2 51 51 PRO . 30093 2 52 52 GLN . 30093 2 53 53 LEU . 30093 2 54 54 ALA . 30093 2 55 55 GLU . 30093 2 56 56 GLU . 30093 2 57 57 ASP . 30093 2 58 58 LYS . 30093 2 59 59 ILE . 30093 2 60 60 LEU . 30093 2 61 61 ALA . 30093 2 62 62 THR . 30093 2 63 63 PRO . 30093 2 64 64 THR . 30093 2 65 65 LEU . 30093 2 66 66 ALA . 30093 2 67 67 LYS . 30093 2 68 68 VAL . 30093 2 69 69 LEU . 30093 2 70 70 PRO . 30093 2 71 71 PRO . 30093 2 72 72 PRO . 30093 2 73 73 VAL . 30093 2 74 74 ARG . 30093 2 75 75 ARG . 30093 2 76 76 ILE . 30093 2 77 77 ILE . 30093 2 78 78 GLY . 30093 2 79 79 ASP . 30093 2 80 80 LEU . 30093 2 81 81 SER . 30093 2 82 82 ASN . 30093 2 83 83 ARG . 30093 2 84 84 GLU . 30093 2 85 85 LYS . 30093 2 86 86 VAL . 30093 2 87 87 LEU . 30093 2 88 88 ILE . 30093 2 89 89 ALA . 30093 2 90 90 LEU . 30093 2 91 91 ARG . 30093 2 92 92 LEU . 30093 2 93 93 LEU . 30093 2 94 94 ALA . 30093 2 95 95 GLU . 30093 2 96 96 GLU . 30093 2 97 97 ILE . 30093 2 98 98 GLY . 30093 2 99 99 ASP . 30093 2 100 100 TYR . 30093 2 101 101 LYS . 30093 2 102 102 ASP . 30093 2 103 103 ASP . 30093 2 104 104 ASP . 30093 2 105 105 ASP . 30093 2 106 106 LYS . 30093 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 . MET 1 1 30093 2 . ALA 2 2 30093 2 . PRO 3 3 30093 2 . LEU 4 4 30093 2 . ARG 5 5 30093 2 . LYS 6 6 30093 2 . THR 7 7 30093 2 . ALA 8 8 30093 2 . VAL 9 9 30093 2 . LEU 10 10 30093 2 . LYS 11 11 30093 2 . LEU 12 12 30093 2 . TYR 13 13 30093 2 . VAL 14 14 30093 2 . ALA 15 15 30093 2 . GLY 16 16 30093 2 . ASN 17 17 30093 2 . THR 18 18 30093 2 . PRO 19 19 30093 2 . ASN 20 20 30093 2 . SER 21 21 30093 2 . VAL 22 22 30093 2 . ARG 23 23 30093 2 . ALA 24 24 30093 2 . LEU 25 25 30093 2 . LYS 26 26 30093 2 . THR 27 27 30093 2 . LEU 28 28 30093 2 . ALA 29 29 30093 2 . ASN 30 30 30093 2 . ILE 31 31 30093 2 . LEU 32 32 30093 2 . GLU 33 33 30093 2 . LYS 34 34 30093 2 . GLU 35 35 30093 2 . PHE 36 36 30093 2 . LYS 37 37 30093 2 . GLY 38 38 30093 2 . VAL 39 39 30093 2 . TYR 40 40 30093 2 . ALA 41 41 30093 2 . LEU 42 42 30093 2 . LYS 43 43 30093 2 . VAL 44 44 30093 2 . ILE 45 45 30093 2 . ASP 46 46 30093 2 . VAL 47 47 30093 2 . LEU 48 48 30093 2 . LYS 49 49 30093 2 . ASN 50 50 30093 2 . PRO 51 51 30093 2 . GLN 52 52 30093 2 . LEU 53 53 30093 2 . ALA 54 54 30093 2 . GLU 55 55 30093 2 . GLU 56 56 30093 2 . ASP 57 57 30093 2 . LYS 58 58 30093 2 . ILE 59 59 30093 2 . LEU 60 60 30093 2 . ALA 61 61 30093 2 . THR 62 62 30093 2 . PRO 63 63 30093 2 . THR 64 64 30093 2 . LEU 65 65 30093 2 . ALA 66 66 30093 2 . LYS 67 67 30093 2 . VAL 68 68 30093 2 . LEU 69 69 30093 2 . PRO 70 70 30093 2 . PRO 71 71 30093 2 . PRO 72 72 30093 2 . VAL 73 73 30093 2 . ARG 74 74 30093 2 . ARG 75 75 30093 2 . ILE 76 76 30093 2 . ILE 77 77 30093 2 . GLY 78 78 30093 2 . ASP 79 79 30093 2 . LEU 80 80 30093 2 . SER 81 81 30093 2 . ASN 82 82 30093 2 . ARG 83 83 30093 2 . GLU 84 84 30093 2 . LYS 85 85 30093 2 . VAL 86 86 30093 2 . LEU 87 87 30093 2 . ILE 88 88 30093 2 . ALA 89 89 30093 2 . LEU 90 90 30093 2 . ARG 91 91 30093 2 . LEU 92 92 30093 2 . LEU 93 93 30093 2 . ALA 94 94 30093 2 . GLU 95 95 30093 2 . GLU 96 96 30093 2 . ILE 97 97 30093 2 . GLY 98 98 30093 2 . ASP 99 99 30093 2 . TYR 100 100 30093 2 . LYS 101 101 30093 2 . ASP 102 102 30093 2 . ASP 103 103 30093 2 . ASP 104 104 30093 2 . ASP 105 105 30093 2 . LYS 106 106 30093 2 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 30093 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 197221 organism . 'Thermosynechococcus elongatus' cyanobacteria . . Bacteria . Thermosynechococcus elongatus BP-1 . . . . . . . . . . tll0899 . 30093 1 2 2 $entity_2 . 197221 organism . 'Thermosynechococcus elongatus' cyanobacteria . . Bacteria . Thermosynechococcus elongatus BP-1 . . . . . . . . . . 'kaiB, tlr0482' . 30093 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 30093 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' "Escherichia coli 'BL21-Gold(DE3)pLysS AG'" . . 866768 . . . . . . . . . . . . 30093 1 2 2 $entity_2 . 'recombinant technology' "Escherichia coli 'BL21-Gold(DE3)pLysS AG'" . . 866768 . . . . . . . . . . . . 30093 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30093 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '800 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 880 uM unlabeled KaiB mutant-N29A, 95% H2O/5% D2O' _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 'KaiB mutant-N29A' 'natural abundance' . . 2 $entity_2 . . 880 . . uM . . . . 30093 1 2 'pseudo receiver domain of CikA' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 800 . . uM . . . . 30093 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 30093 1 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 30093 1 stop_ save_ save_sample_10 _Sample.Sf_category sample _Sample.Sf_framecode sample_10 _Sample.Entry_ID 30093 _Sample.ID 2 _Sample.Name . _Sample.Type 'gel solution' _Sample.Sub_type . _Sample.Details '400 uM [U-99% 15N] pseudo receiver domain of CikA, 440 uM unlabeled KaiB mutant-N29A, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'KaiB mutant-N29A' 'natural abundance' . . 2 $entity_2 . . 440 . . uM . . . . 30093 2 2 'pseudo receiver domain of CikA' '[U-99% 15N]' . . 1 $entity_1 . . 400 . . uM . . . . 30093 2 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 30093 2 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 30093 2 stop_ save_ save_sample_11 _Sample.Sf_category sample _Sample.Sf_framecode sample_11 _Sample.Entry_ID 30093 _Sample.ID 3 _Sample.Name . _Sample.Type 'gel solution' _Sample.Sub_type . _Sample.Details '400 uM [U-99% 13C; U-99% 15N] KaiB mutant-N29A, 440 uM unlabeled pseudo receiver domain of CikA, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'KaiB mutant-N29A' '[U-99% 13C; U-99% 15N]' . . 2 $entity_2 . . 400 . . uM . . . . 30093 3 2 'pseudo receiver domain of CikA' 'natural abundance' . . 1 $entity_1 . . 440 . . uM . . . . 30093 3 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 30093 3 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 30093 3 stop_ save_ save_sample_12 _Sample.Sf_category sample _Sample.Sf_framecode sample_12 _Sample.Entry_ID 30093 _Sample.ID 4 _Sample.Name . _Sample.Type 'gel solution' _Sample.Sub_type . _Sample.Details '700 uM [U-99% 13C; U-99% 15N] KaiB mutant-N29A, 770 uM unlabeled pseudo receiver domain of CikA, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'KaiB mutant-N29A' '[U-99% 13C; U-99% 15N]' . . 2 $entity_2 . . 700 . . uM . . . . 30093 4 2 'pseudo receiver domain of CikA' 'natural abundance' . . 1 $entity_1 . . 770 . . uM . . . . 30093 4 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 30093 4 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 30093 4 stop_ save_ save_sample_13 _Sample.Sf_category sample _Sample.Sf_framecode sample_13 _Sample.Entry_ID 30093 _Sample.ID 5 _Sample.Name . _Sample.Type 'gel solution' _Sample.Sub_type . _Sample.Details '400 uM [U-99% 15N] KaiB mutant-N29A, 440 uM unlabeled pseudo receiver domain of CikA, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'KaiB mutant-N29A' '[U-99% 15N]' . . 2 $entity_2 . . 400 . . uM . . . . 30093 5 2 'pseudo receiver domain of CikA' 'natural abundance' . . 1 $entity_1 . . 440 . . uM . . . . 30093 5 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 30093 5 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 30093 5 stop_ save_ save_sample_14 _Sample.Sf_category sample _Sample.Sf_framecode sample_14 _Sample.Entry_ID 30093 _Sample.ID 6 _Sample.Name . _Sample.Type 'gel solution' _Sample.Sub_type . _Sample.Details '400 uM [U-99% 15N] KaiB mutant-N29A, 440 uM unlabeled pseudo receiver domain of CikA, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'KaiB mutant-N29A' '[U-99% 15N]' . . 2 $entity_2 . . 400 . . uM . . . . 30093 6 2 'pseudo receiver domain of CikA' 'natural abundance' . . 1 $entity_1 . . 440 . . uM . . . . 30093 6 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 30093 6 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 30093 6 stop_ save_ save_sample_15 _Sample.Sf_category sample _Sample.Sf_framecode sample_15 _Sample.Entry_ID 30093 _Sample.ID 7 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '800 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 880 uM unlabeled KaiB mutant-N29A, 100% D2O' _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 'KaiB mutant-N29A' 'natural abundance' . . 2 $entity_2 . . 880 . . uM . . . . 30093 7 2 'pseudo receiver domain of CikA' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 800 . . uM . . . . 30093 7 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 30093 7 stop_ save_ save_sample_16 _Sample.Sf_category sample _Sample.Sf_framecode sample_16 _Sample.Entry_ID 30093 _Sample.ID 8 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '800 uM [U-99% 13C; U-99% 15N] KaiB mutant-N29A, 880 uM unlabeled pseudo receiver domain of CikA, 100% D2O' _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 'KaiB mutant-N29A' '[U-99% 13C; U-99% 15N]' . . 2 $entity_2 . . 800 . . uM . . . . 30093 8 2 'pseudo receiver domain of CikA' 'natural abundance' . . 1 $entity_1 . . 880 . . uM . . . . 30093 8 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 30093 8 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30093 _Sample.ID 9 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '800 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 880 uM unlabeled KaiB mutant-N29A, 100% D2O' _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 'KaiB mutant-N29A' 'natural abundance' . . 2 $entity_2 . . 880 . . uM . . . . 30093 9 2 'pseudo receiver domain of CikA' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 800 . . uM . . . . 30093 9 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 30093 9 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30093 _Sample.ID 10 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '800 uM [U-99% 13C; U-99% 15N] KaiB mutant-N29A, 880 uM unlabeled pseudo receiver domain of CikA, 95% H2O/5% D2O' _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 'KaiB mutant-N29A' '[U-99% 13C; U-99% 15N]' . . 2 $entity_2 . . 800 . . uM . . . . 30093 10 2 'pseudo receiver domain of CikA' 'natural abundance' . . 1 $entity_1 . . 880 . . uM . . . . 30093 10 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 30093 10 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 30093 10 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 30093 _Sample.ID 11 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '800 uM [U-99% 13C; U-99% 15N] KaiB mutant-N29A, 880 uM unlabeled pseudo receiver domain of CikA, 100% D2O' _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 'KaiB mutant-N29A' '[U-99% 13C; U-99% 15N]' . . 2 $entity_2 . . 800 . . uM . . . . 30093 11 2 'pseudo receiver domain of CikA' 'natural abundance' . . 1 $entity_1 . . 880 . . uM . . . . 30093 11 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 30093 11 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 30093 _Sample.ID 12 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '800 uM [U-100% 15N] pseudo receiver domain of CikA, 880 uM [U-100% 13C] KaiB mutant-N29A, 95% H2O/5% D2O' _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 'KaiB mutant-N29A' '[U-100% 13C]' . . 2 $entity_2 . . 880 . . uM . . . . 30093 12 2 'pseudo receiver domain of CikA' '[U-100% 15N]' . . 1 $entity_1 . . 800 . . uM . . . . 30093 12 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 30093 12 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 30093 12 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 30093 _Sample.ID 13 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '800 uM [U-100% 15N] KaiB mutant-N29A, 880 uM [U-100% 13C] pseudo receiver domain of CikA, 95% H2O/5% D2O' _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 'KaiB mutant-N29A' '[U-100% 15N]' . . 2 $entity_2 . . 800 . . uM . . . . 30093 13 2 'pseudo receiver domain of CikA' '[U-100% 13C]' . . 1 $entity_1 . . 880 . . uM . . . . 30093 13 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 30093 13 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 30093 13 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 30093 _Sample.ID 14 _Sample.Name . _Sample.Type 'gel solution' _Sample.Sub_type . _Sample.Details '400 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 440 uM unlabeled KaiB mutant-N29A, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'KaiB mutant-N29A' 'natural abundance' . . 2 $entity_2 . . 440 . . uM . . . . 30093 14 2 'pseudo receiver domain of CikA' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 400 . . uM . . . . 30093 14 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 30093 14 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 30093 14 stop_ save_ save_sample_8 _Sample.Sf_category sample _Sample.Sf_framecode sample_8 _Sample.Entry_ID 30093 _Sample.ID 15 _Sample.Name . _Sample.Type 'gel solution' _Sample.Sub_type . _Sample.Details '650 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 715 uM unlabeled KaiB mutant-N29A, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'KaiB mutant-N29A' 'natural abundance' . . 2 $entity_2 . . 715 . . uM . . . . 30093 15 2 'pseudo receiver domain of CikA' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 650 . . uM . . . . 30093 15 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 30093 15 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 30093 15 stop_ save_ save_sample_9 _Sample.Sf_category sample _Sample.Sf_framecode sample_9 _Sample.Entry_ID 30093 _Sample.ID 16 _Sample.Name . _Sample.Type 'gel solution' _Sample.Sub_type . _Sample.Details '400 uM [U-99% 15N] pseudo receiver domain of CikA, 440 uM unlabeled KaiB mutant-N29A, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'KaiB mutant-N29A' 'natural abundance' . . 2 $entity_2 . . 440 . . uM . . . . 30093 16 2 'pseudo receiver domain of CikA' '[U-99% 15N]' . . 1 $entity_1 . . 400 . . uM . . . . 30093 16 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 30093 16 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 30093 16 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 30093 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . mM 30093 1 pH 7 . pH 30093 1 pressure 1 . atm 30093 1 temperature 323 . K 30093 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30093 _Software.ID 1 _Software.Type . _Software.Name MARS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID ; robust automatic backbone assignment of proteins Journal of Biomolecular NMR, 2004, Volume 30, Number 1, Page 11 Young-Sang Jung, Markus Zweckstetter ; . . 30093 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30093 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30093 _Software.ID 2 _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' . . 30093 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30093 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30093 _Software.ID 3 _Software.Type . _Software.Name PIPP _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 30093 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 30093 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30093 _Software.ID 4 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30093 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 30093 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30093 _Software.ID 5 _Software.Type . _Software.Name XIPP _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID ; Garrett DS, Powers R, Gronenborn AM, Clore GM. J Magn Reson. 2011 Dec;213(2):357-63. doi: 10.1016/j.jmr.2011.09.007. A common sense approach to peak picking in two-, three-, and four-dimensional spectra using automatic computer analysis of contour diagrams http://spin.niddk.nih.gov/dgarrett/Xipp/xipp.html ; . . 30093 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 30093 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30093 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 30093 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 600 . . . 30093 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 30093 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 2 '3D HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 4 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 6 '15N, 13C edited 4D NOESY-HSQC' no . . . . . . . . . . . . 12 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 7 '2D IPAP-1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_10 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 8 '2D IPAP-1H-15N HSQC' no . . . . . . . . . . . . 16 $sample_9 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 9 '3D IPAP-HNCO' no . . . . . . . . . . . . 15 $sample_8 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 10 '3D IPAP-HNCO' no . . . . . . . . . . . . 14 $sample_7 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 11 '3D IPAP-HNCO(CA)' no . . . . . . . . . . . . 15 $sample_8 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 12 '3D IPAP-HNCO(CA)' no . . . . . . . . . . . . 14 $sample_7 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . . . 9 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 14 '3D HCCH-COSY' no . . . . . . . . . . . . 9 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 15 '3D 13C edited 1H-13C NOESY' no . . . . . . . . . . . . 9 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 16 '3D 15N edited 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 17 '13C-edited, 12C-filtered 3D NOESY-HSQC' no . . . . . . . . . . . . 8 $sample_16 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 18 '15N, 13C edited 4D NOESY-HSQC' no . . . . . . . . . . . . 13 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 19 '2D IPAP-1H-15N HSQC' no . . . . . . . . . . . . 6 $sample_14 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 20 '2D IPAP-1H-15N HSQC' no . . . . . . . . . . . . 5 $sample_13 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 21 '3D IPAP-HNCO' no . . . . . . . . . . . . 4 $sample_12 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 22 '3D IPAP-HNCO' no . . . . . . . . . . . . 3 $sample_11 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 23 '3D IPAP-HNCO(CA)' no . . . . . . . . . . . . 4 $sample_12 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 24 '3D IPAP-HNCO(CA)' no . . . . . . . . . . . . 3 $sample_11 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 25 '3D HCA(CO)N' no . . . . . . . . . . . . 11 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 26 '3D HCAN' no . . . . . . . . . . . . 11 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 27 '3D HCCH-TOCSY' no . . . . . . . . . . . . 11 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 28 '3D HCCH-COSY' no . . . . . . . . . . . . 11 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 29 '3D 13C edited 1H-13C NOESY' no . . . . . . . . . . . . 11 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 30 '3D 15N edited 1H-15N NOESY' no . . . . . . . . . . . . 10 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 31 '3D HBHA(CO)NH' no . . . . . . . . . . . . 10 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 32 '3D HN(CA)CO' no . . . . . . . . . . . . 10 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 33 '3D HNCO' no . . . . . . . . . . . . 10 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 34 '3D HN(CO)CACB' no . . . . . . . . . . . . 10 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 35 '3D HNCACB' no . . . . . . . . . . . . 10 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 36 '13C-edited, 12C-filtered 3D NOESY-HSQC' no . . . . . . . . . . . . 7 $sample_15 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 37 '2D 1H-15N HSQC' no . . . . . . . . . . . . 10 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 38 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 39 '2D 1H-13C HSQC' no . . . . . . . . . . . . 11 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 40 '2D 1H-13C HSQC' no . . . . . . . . . . . . 9 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30093 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30093 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . MHz 601.1301006 internal indirect 1 . . . . . 30093 1 stop_ save_ save_chem_shift_reference_2 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_2 _Chem_shift_reference.Entry_ID 30093 _Chem_shift_reference.ID 2 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . MHz 601.1301153 internal indirect 1 . . . . . 30093 2 stop_ save_ save_chem_shift_reference_3 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_3 _Chem_shift_reference.Entry_ID 30093 _Chem_shift_reference.ID 3 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . MHz 601.1301008 internal indirect 1 . . . . . 30093 3 stop_ save_ save_chem_shift_reference_4 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_4 _Chem_shift_reference.Entry_ID 30093 _Chem_shift_reference.ID 4 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . MHz 601.1301159 internal indirect 1 . . . . . 30093 4 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30093 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCACB' . . . 30093 1 2 '3D HN(CO)CACB' . . . 30093 1 3 '3D HNCO' . . . 30093 1 4 '3D HN(CA)CO' . . . 30093 1 5 '3D HBHA(CO)NH' . . . 30093 1 6 '15N, 13C edited 4D NOESY-HSQC' . . . 30093 1 16 '3D 15N edited 1H-15N NOESY' . . . 30093 1 37 '2D 1H-15N HSQC' . . . 30093 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 30093 1 3 $software_3 . . 30093 1 5 $software_5 . . 30093 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLU CA C 13 64.9636 . . . . . . . A 613 GLU CA . 30093 1 2 . 1 . 1 2 2 GLY HA2 H 1 3.99 . . . . . . . A 614 GLY HA2 . 30093 1 3 . 1 . 1 2 2 GLY HA3 H 1 4.5571 . . . . . . . A 614 GLY HA3 . 30093 1 4 . 1 . 1 2 2 GLY C C 13 172.2986 . . . . . . . A 614 GLY C . 30093 1 5 . 1 . 1 2 2 GLY CA C 13 44.6132 . . . . . . . A 614 GLY CA . 30093 1 6 . 1 . 1 3 3 ARG H H 1 8.4652 . . . . . . . A 615 ARG H . 30093 1 7 . 1 . 1 3 3 ARG HA H 1 5.3271 . . . . . . . A 615 ARG HA . 30093 1 8 . 1 . 1 3 3 ARG HB2 H 1 1.6449 . . . . . . . A 615 ARG HB2 . 30093 1 9 . 1 . 1 3 3 ARG HB3 H 1 2.0461 . . . . . . . A 615 ARG HB3 . 30093 1 10 . 1 . 1 3 3 ARG HG2 H 1 1.3937 . . . . . . . A 615 ARG HG2 . 30093 1 11 . 1 . 1 3 3 ARG HG3 H 1 1.7819 . . . . . . . A 615 ARG HG3 . 30093 1 12 . 1 . 1 3 3 ARG HD2 H 1 3.0519 . . . . . . . A 615 ARG HD2 . 30093 1 13 . 1 . 1 3 3 ARG HD3 H 1 3.2492 . . . . . . . A 615 ARG HD3 . 30093 1 14 . 1 . 1 3 3 ARG C C 13 174.7959 . . . . . . . A 615 ARG C . 30093 1 15 . 1 . 1 3 3 ARG CA C 13 55.5293 . . . . . . . A 615 ARG CA . 30093 1 16 . 1 . 1 3 3 ARG CB C 13 32.2675 . . . . . . . A 615 ARG CB . 30093 1 17 . 1 . 1 3 3 ARG CG C 13 27.2872 . . . . . . . A 615 ARG CG . 30093 1 18 . 1 . 1 3 3 ARG CD C 13 44.424 . . . . . . . A 615 ARG CD . 30093 1 19 . 1 . 1 3 3 ARG N N 15 120.9123 . . . . . . . A 615 ARG N . 30093 1 20 . 1 . 1 4 4 ILE H H 1 9.1684 . . . . . . . A 616 ILE H . 30093 1 21 . 1 . 1 4 4 ILE HA H 1 4.6624 . . . . . . . A 616 ILE HA . 30093 1 22 . 1 . 1 4 4 ILE HB H 1 1.5264 . . . . . . . A 616 ILE HB . 30093 1 23 . 1 . 1 4 4 ILE HG12 H 1 0.916 . . . . . . . A 616 ILE HG12 . 30093 1 24 . 1 . 1 4 4 ILE HG13 H 1 1.2993 . . . . . . . A 616 ILE HG13 . 30093 1 25 . 1 . 1 4 4 ILE HG21 H 1 0.5857 . . . . . . . A 616 ILE HG21 . 30093 1 26 . 1 . 1 4 4 ILE HG22 H 1 0.5857 . . . . . . . A 616 ILE HG22 . 30093 1 27 . 1 . 1 4 4 ILE HG23 H 1 0.5857 . . . . . . . A 616 ILE HG23 . 30093 1 28 . 1 . 1 4 4 ILE HD11 H 1 0.1296 . . . . . . . A 616 ILE HD11 . 30093 1 29 . 1 . 1 4 4 ILE HD12 H 1 0.1296 . . . . . . . A 616 ILE HD12 . 30093 1 30 . 1 . 1 4 4 ILE HD13 H 1 0.1296 . . . . . . . A 616 ILE HD13 . 30093 1 31 . 1 . 1 4 4 ILE C C 13 174.7982 . . . . . . . A 616 ILE C . 30093 1 32 . 1 . 1 4 4 ILE CA C 13 59.4673 . . . . . . . A 616 ILE CA . 30093 1 33 . 1 . 1 4 4 ILE CB C 13 41.0763 . . . . . . . A 616 ILE CB . 30093 1 34 . 1 . 1 4 4 ILE CG1 C 13 27.9209 . . . . . . . A 616 ILE CG1 . 30093 1 35 . 1 . 1 4 4 ILE CG2 C 13 17.0822 . . . . . . . A 616 ILE CG2 . 30093 1 36 . 1 . 1 4 4 ILE CD1 C 13 12.5657 . . . . . . . A 616 ILE CD1 . 30093 1 37 . 1 . 1 4 4 ILE N N 15 125.5396 . . . . . . . A 616 ILE N . 30093 1 38 . 1 . 1 5 5 VAL H H 1 8.1183 . . . . . . . A 617 VAL H . 30093 1 39 . 1 . 1 5 5 VAL HA H 1 5.4081 . . . . . . . A 617 VAL HA . 30093 1 40 . 1 . 1 5 5 VAL HB H 1 1.8376 . . . . . . . A 617 VAL HB . 30093 1 41 . 1 . 1 5 5 VAL HG11 H 1 0.996 . . . . . . . A 617 VAL HG11 . 30093 1 42 . 1 . 1 5 5 VAL HG12 H 1 0.996 . . . . . . . A 617 VAL HG12 . 30093 1 43 . 1 . 1 5 5 VAL HG13 H 1 0.996 . . . . . . . A 617 VAL HG13 . 30093 1 44 . 1 . 1 5 5 VAL HG21 H 1 0.9724 . . . . . . . A 617 VAL HG21 . 30093 1 45 . 1 . 1 5 5 VAL HG22 H 1 0.9724 . . . . . . . A 617 VAL HG22 . 30093 1 46 . 1 . 1 5 5 VAL HG23 H 1 0.9724 . . . . . . . A 617 VAL HG23 . 30093 1 47 . 1 . 1 5 5 VAL C C 13 173.3745 . . . . . . . A 617 VAL C . 30093 1 48 . 1 . 1 5 5 VAL CA C 13 59.8692 . . . . . . . A 617 VAL CA . 30093 1 49 . 1 . 1 5 5 VAL CB C 13 34.0969 . . . . . . . A 617 VAL CB . 30093 1 50 . 1 . 1 5 5 VAL CG1 C 13 22.6155 . . . . . . . A 617 VAL CG1 . 30093 1 51 . 1 . 1 5 5 VAL CG2 C 13 22.1812 . . . . . . . A 617 VAL CG2 . 30093 1 52 . 1 . 1 5 5 VAL N N 15 125.0467 . . . . . . . A 617 VAL N . 30093 1 53 . 1 . 1 6 6 LEU H H 1 9.1626 . . . . . . . A 618 LEU H . 30093 1 54 . 1 . 1 6 6 LEU HA H 1 5.1743 . . . . . . . A 618 LEU HA . 30093 1 55 . 1 . 1 6 6 LEU HB2 H 1 1.0321 . . . . . . . A 618 LEU HB2 . 30093 1 56 . 1 . 1 6 6 LEU HB3 H 1 1.6464 . . . . . . . A 618 LEU HB3 . 30093 1 57 . 1 . 1 6 6 LEU HG H 1 1.2182 . . . . . . . A 618 LEU HG . 30093 1 58 . 1 . 1 6 6 LEU HD11 H 1 0.2495 . . . . . . . A 618 LEU HD11 . 30093 1 59 . 1 . 1 6 6 LEU HD12 H 1 0.2495 . . . . . . . A 618 LEU HD12 . 30093 1 60 . 1 . 1 6 6 LEU HD13 H 1 0.2495 . . . . . . . A 618 LEU HD13 . 30093 1 61 . 1 . 1 6 6 LEU HD21 H 1 0.7387 . . . . . . . A 618 LEU HD21 . 30093 1 62 . 1 . 1 6 6 LEU HD22 H 1 0.7387 . . . . . . . A 618 LEU HD22 . 30093 1 63 . 1 . 1 6 6 LEU HD23 H 1 0.7387 . . . . . . . A 618 LEU HD23 . 30093 1 64 . 1 . 1 6 6 LEU C C 13 174.1042 . . . . . . . A 618 LEU C . 30093 1 65 . 1 . 1 6 6 LEU CA C 13 52.8107 . . . . . . . A 618 LEU CA . 30093 1 66 . 1 . 1 6 6 LEU CB C 13 46.5758 . . . . . . . A 618 LEU CB . 30093 1 67 . 1 . 1 6 6 LEU CG C 13 27.7636 . . . . . . . A 618 LEU CG . 30093 1 68 . 1 . 1 6 6 LEU CD1 C 13 26.0379 . . . . . . . A 618 LEU CD1 . 30093 1 69 . 1 . 1 6 6 LEU CD2 C 13 23.9823 . . . . . . . A 618 LEU CD2 . 30093 1 70 . 1 . 1 6 6 LEU N N 15 131.3097 . . . . . . . A 618 LEU N . 30093 1 71 . 1 . 1 7 7 VAL H H 1 9.0411 . . . . . . . A 619 VAL H . 30093 1 72 . 1 . 1 7 7 VAL HA H 1 5.0685 . . . . . . . A 619 VAL HA . 30093 1 73 . 1 . 1 7 7 VAL HB H 1 1.9188 . . . . . . . A 619 VAL HB . 30093 1 74 . 1 . 1 7 7 VAL HG11 H 1 -0.013 . . . . . . . A 619 VAL HG11 . 30093 1 75 . 1 . 1 7 7 VAL HG12 H 1 -0.013 . . . . . . . A 619 VAL HG12 . 30093 1 76 . 1 . 1 7 7 VAL HG13 H 1 -0.013 . . . . . . . A 619 VAL HG13 . 30093 1 77 . 1 . 1 7 7 VAL HG21 H 1 0.6455 . . . . . . . A 619 VAL HG21 . 30093 1 78 . 1 . 1 7 7 VAL HG22 H 1 0.6455 . . . . . . . A 619 VAL HG22 . 30093 1 79 . 1 . 1 7 7 VAL HG23 H 1 0.6455 . . . . . . . A 619 VAL HG23 . 30093 1 80 . 1 . 1 7 7 VAL C C 13 174.7661 . . . . . . . A 619 VAL C . 30093 1 81 . 1 . 1 7 7 VAL CA C 13 60.8781 . . . . . . . A 619 VAL CA . 30093 1 82 . 1 . 1 7 7 VAL CB C 13 31.764 . . . . . . . A 619 VAL CB . 30093 1 83 . 1 . 1 7 7 VAL CG1 C 13 20.2338 . . . . . . . A 619 VAL CG1 . 30093 1 84 . 1 . 1 7 7 VAL CG2 C 13 21.0316 . . . . . . . A 619 VAL CG2 . 30093 1 85 . 1 . 1 7 7 VAL N N 15 128.1782 . . . . . . . A 619 VAL N . 30093 1 86 . 1 . 1 8 8 SER H H 1 7.8906 . . . . . . . A 620 SER H . 30093 1 87 . 1 . 1 8 8 SER HA H 1 4.7765 . . . . . . . A 620 SER HA . 30093 1 88 . 1 . 1 8 8 SER HB2 H 1 3.3807 . . . . . . . A 620 SER HB2 . 30093 1 89 . 1 . 1 8 8 SER HB3 H 1 3.8713 . . . . . . . A 620 SER HB3 . 30093 1 90 . 1 . 1 8 8 SER C C 13 174.5706 . . . . . . . A 620 SER C . 30093 1 91 . 1 . 1 8 8 SER CA C 13 57.2719 . . . . . . . A 620 SER CA . 30093 1 92 . 1 . 1 8 8 SER CB C 13 64.088 . . . . . . . A 620 SER CB . 30093 1 93 . 1 . 1 8 8 SER N N 15 114.9078 . . . . . . . A 620 SER N . 30093 1 94 . 1 . 1 9 9 GLU H H 1 9.269 . . . . . . . A 621 GLU H . 30093 1 95 . 1 . 1 9 9 GLU HA H 1 4.8986 . . . . . . . A 621 GLU HA . 30093 1 96 . 1 . 1 9 9 GLU HB2 H 1 2.1022 . . . . . . . A 621 GLU HB2 . 30093 1 97 . 1 . 1 9 9 GLU HB3 H 1 2.3746 . . . . . . . A 621 GLU HB3 . 30093 1 98 . 1 . 1 9 9 GLU HG2 H 1 2.4365 . . . . . . . A 621 GLU HG2 . 30093 1 99 . 1 . 1 9 9 GLU HG3 H 1 2.4365 . . . . . . . A 621 GLU HG3 . 30093 1 100 . 1 . 1 9 9 GLU C C 13 176.4189 . . . . . . . A 621 GLU C . 30093 1 101 . 1 . 1 9 9 GLU CA C 13 56.1751 . . . . . . . A 621 GLU CA . 30093 1 102 . 1 . 1 9 9 GLU CB C 13 31.4415 . . . . . . . A 621 GLU CB . 30093 1 103 . 1 . 1 9 9 GLU CG C 13 36.9878 . . . . . . . A 621 GLU CG . 30093 1 104 . 1 . 1 9 9 GLU N N 15 124.176 . . . . . . . A 621 GLU N . 30093 1 105 . 1 . 1 10 10 ASP H H 1 8.4341 . . . . . . . A 622 ASP H . 30093 1 106 . 1 . 1 10 10 ASP HA H 1 4.7422 . . . . . . . A 622 ASP HA . 30093 1 107 . 1 . 1 10 10 ASP HB2 H 1 2.6595 . . . . . . . A 622 ASP HB2 . 30093 1 108 . 1 . 1 10 10 ASP HB3 H 1 2.8589 . . . . . . . A 622 ASP HB3 . 30093 1 109 . 1 . 1 10 10 ASP C C 13 177.4186 . . . . . . . A 622 ASP C . 30093 1 110 . 1 . 1 10 10 ASP CA C 13 53.7415 . . . . . . . A 622 ASP CA . 30093 1 111 . 1 . 1 10 10 ASP CB C 13 41.5482 . . . . . . . A 622 ASP CB . 30093 1 112 . 1 . 1 10 10 ASP N N 15 120.8187 . . . . . . . A 622 ASP N . 30093 1 113 . 1 . 1 11 11 GLU H H 1 9.0591 . . . . . . . A 623 GLU H . 30093 1 114 . 1 . 1 11 11 GLU HA H 1 4.1553 . . . . . . . A 623 GLU HA . 30093 1 115 . 1 . 1 11 11 GLU HB2 H 1 2.2456 . . . . . . . A 623 GLU HB2 . 30093 1 116 . 1 . 1 11 11 GLU HB3 H 1 2.2456 . . . . . . . A 623 GLU HB3 . 30093 1 117 . 1 . 1 11 11 GLU HG2 H 1 2.3499 . . . . . . . A 623 GLU HG2 . 30093 1 118 . 1 . 1 11 11 GLU HG3 H 1 2.4813 . . . . . . . A 623 GLU HG3 . 30093 1 119 . 1 . 1 11 11 GLU C C 13 178.2422 . . . . . . . A 623 GLU C . 30093 1 120 . 1 . 1 11 11 GLU CA C 13 60.4183 . . . . . . . A 623 GLU CA . 30093 1 121 . 1 . 1 11 11 GLU CB C 13 30.2316 . . . . . . . A 623 GLU CB . 30093 1 122 . 1 . 1 11 11 GLU CG C 13 36.362 . . . . . . . A 623 GLU CG . 30093 1 123 . 1 . 1 11 11 GLU N N 15 130.5687 . . . . . . . A 623 GLU N . 30093 1 124 . 1 . 1 12 12 ALA H H 1 8.5345 . . . . . . . A 624 ALA H . 30093 1 125 . 1 . 1 12 12 ALA HA H 1 4.1044 . . . . . . . A 624 ALA HA . 30093 1 126 . 1 . 1 12 12 ALA HB1 H 1 1.4965 . . . . . . . A 624 ALA HB1 . 30093 1 127 . 1 . 1 12 12 ALA HB2 H 1 1.4965 . . . . . . . A 624 ALA HB2 . 30093 1 128 . 1 . 1 12 12 ALA HB3 H 1 1.4965 . . . . . . . A 624 ALA HB3 . 30093 1 129 . 1 . 1 12 12 ALA C C 13 180.9101 . . . . . . . A 624 ALA C . 30093 1 130 . 1 . 1 12 12 ALA CA C 13 55.7156 . . . . . . . A 624 ALA CA . 30093 1 131 . 1 . 1 12 12 ALA CB C 13 18.1848 . . . . . . . A 624 ALA CB . 30093 1 132 . 1 . 1 12 12 ALA N N 15 123.8287 . . . . . . . A 624 ALA N . 30093 1 133 . 1 . 1 13 13 THR H H 1 8.0501 . . . . . . . A 625 THR H . 30093 1 134 . 1 . 1 13 13 THR HA H 1 3.7141 . . . . . . . A 625 THR HA . 30093 1 135 . 1 . 1 13 13 THR HB H 1 3.7031 . . . . . . . A 625 THR HB . 30093 1 136 . 1 . 1 13 13 THR HG21 H 1 1.0386 . . . . . . . A 625 THR HG21 . 30093 1 137 . 1 . 1 13 13 THR HG22 H 1 1.0386 . . . . . . . A 625 THR HG22 . 30093 1 138 . 1 . 1 13 13 THR HG23 H 1 1.0386 . . . . . . . A 625 THR HG23 . 30093 1 139 . 1 . 1 13 13 THR C C 13 176.6738 . . . . . . . A 625 THR C . 30093 1 140 . 1 . 1 13 13 THR CA C 13 65.8027 . . . . . . . A 625 THR CA . 30093 1 141 . 1 . 1 13 13 THR CB C 13 68.0698 . . . . . . . A 625 THR CB . 30093 1 142 . 1 . 1 13 13 THR CG2 C 13 22.066 . . . . . . . A 625 THR CG2 . 30093 1 143 . 1 . 1 13 13 THR N N 15 114.8366 . . . . . . . A 625 THR N . 30093 1 144 . 1 . 1 14 14 SER H H 1 7.5732 . . . . . . . A 626 SER H . 30093 1 145 . 1 . 1 14 14 SER HA H 1 3.3697 . . . . . . . A 626 SER HA . 30093 1 146 . 1 . 1 14 14 SER HB2 H 1 1.172 . . . . . . . A 626 SER HB2 . 30093 1 147 . 1 . 1 14 14 SER HB3 H 1 2.693 . . . . . . . A 626 SER HB3 . 30093 1 148 . 1 . 1 14 14 SER C C 13 175.765 . . . . . . . A 626 SER C . 30093 1 149 . 1 . 1 14 14 SER CA C 13 62.8099 . . . . . . . A 626 SER CA . 30093 1 150 . 1 . 1 14 14 SER CB C 13 61.1724 . . . . . . . A 626 SER CB . 30093 1 151 . 1 . 1 14 14 SER N N 15 116.1395 . . . . . . . A 626 SER N . 30093 1 152 . 1 . 1 15 15 THR H H 1 7.9167 . . . . . . . A 627 THR H . 30093 1 153 . 1 . 1 15 15 THR HA H 1 3.4744 . . . . . . . A 627 THR HA . 30093 1 154 . 1 . 1 15 15 THR HB H 1 4.1382 . . . . . . . A 627 THR HB . 30093 1 155 . 1 . 1 15 15 THR HG21 H 1 1.2333 . . . . . . . A 627 THR HG21 . 30093 1 156 . 1 . 1 15 15 THR HG22 H 1 1.2333 . . . . . . . A 627 THR HG22 . 30093 1 157 . 1 . 1 15 15 THR HG23 H 1 1.2333 . . . . . . . A 627 THR HG23 . 30093 1 158 . 1 . 1 15 15 THR C C 13 176.3725 . . . . . . . A 627 THR C . 30093 1 159 . 1 . 1 15 15 THR CA C 13 67.3979 . . . . . . . A 627 THR CA . 30093 1 160 . 1 . 1 15 15 THR CB C 13 68.2862 . . . . . . . A 627 THR CB . 30093 1 161 . 1 . 1 15 15 THR CG2 C 13 21.5384 . . . . . . . A 627 THR CG2 . 30093 1 162 . 1 . 1 15 15 THR N N 15 117.3646 . . . . . . . A 627 THR N . 30093 1 163 . 1 . 1 16 16 LEU H H 1 6.8984 . . . . . . . A 628 LEU H . 30093 1 164 . 1 . 1 16 16 LEU HA H 1 4.1058 . . . . . . . A 628 LEU HA . 30093 1 165 . 1 . 1 16 16 LEU HB2 H 1 1.5593 . . . . . . . A 628 LEU HB2 . 30093 1 166 . 1 . 1 16 16 LEU HB3 H 1 1.7818 . . . . . . . A 628 LEU HB3 . 30093 1 167 . 1 . 1 16 16 LEU HG H 1 1.3505 . . . . . . . A 628 LEU HG . 30093 1 168 . 1 . 1 16 16 LEU HD11 H 1 0.8642 . . . . . . . A 628 LEU HD11 . 30093 1 169 . 1 . 1 16 16 LEU HD12 H 1 0.8642 . . . . . . . A 628 LEU HD12 . 30093 1 170 . 1 . 1 16 16 LEU HD13 H 1 0.8642 . . . . . . . A 628 LEU HD13 . 30093 1 171 . 1 . 1 16 16 LEU HD21 H 1 0.7581 . . . . . . . A 628 LEU HD21 . 30093 1 172 . 1 . 1 16 16 LEU HD22 H 1 0.7581 . . . . . . . A 628 LEU HD22 . 30093 1 173 . 1 . 1 16 16 LEU HD23 H 1 0.7581 . . . . . . . A 628 LEU HD23 . 30093 1 174 . 1 . 1 16 16 LEU C C 13 178.3151 . . . . . . . A 628 LEU C . 30093 1 175 . 1 . 1 16 16 LEU CA C 13 58.2246 . . . . . . . A 628 LEU CA . 30093 1 176 . 1 . 1 16 16 LEU CB C 13 41.4358 . . . . . . . A 628 LEU CB . 30093 1 177 . 1 . 1 16 16 LEU CG C 13 26.8791 . . . . . . . A 628 LEU CG . 30093 1 178 . 1 . 1 16 16 LEU CD1 C 13 23.2288 . . . . . . . A 628 LEU CD1 . 30093 1 179 . 1 . 1 16 16 LEU CD2 C 13 25.5916 . . . . . . . A 628 LEU CD2 . 30093 1 180 . 1 . 1 16 16 LEU N N 15 123.807 . . . . . . . A 628 LEU N . 30093 1 181 . 1 . 1 17 17 ILE H H 1 7.9055 . . . . . . . A 629 ILE H . 30093 1 182 . 1 . 1 17 17 ILE HA H 1 3.1028 . . . . . . . A 629 ILE HA . 30093 1 183 . 1 . 1 17 17 ILE HB H 1 1.597 . . . . . . . A 629 ILE HB . 30093 1 184 . 1 . 1 17 17 ILE HG12 H 1 0.1676 . . . . . . . A 629 ILE HG12 . 30093 1 185 . 1 . 1 17 17 ILE HG13 H 1 1.3912 . . . . . . . A 629 ILE HG13 . 30093 1 186 . 1 . 1 17 17 ILE HG21 H 1 0.7264 . . . . . . . A 629 ILE HG21 . 30093 1 187 . 1 . 1 17 17 ILE HG22 H 1 0.7264 . . . . . . . A 629 ILE HG22 . 30093 1 188 . 1 . 1 17 17 ILE HG23 H 1 0.7264 . . . . . . . A 629 ILE HG23 . 30093 1 189 . 1 . 1 17 17 ILE HD11 H 1 0.4035 . . . . . . . A 629 ILE HD11 . 30093 1 190 . 1 . 1 17 17 ILE HD12 H 1 0.4035 . . . . . . . A 629 ILE HD12 . 30093 1 191 . 1 . 1 17 17 ILE HD13 H 1 0.4035 . . . . . . . A 629 ILE HD13 . 30093 1 192 . 1 . 1 17 17 ILE C C 13 178.0056 . . . . . . . A 629 ILE C . 30093 1 193 . 1 . 1 17 17 ILE CA C 13 66.3912 . . . . . . . A 629 ILE CA . 30093 1 194 . 1 . 1 17 17 ILE CB C 13 37.4356 . . . . . . . A 629 ILE CB . 30093 1 195 . 1 . 1 17 17 ILE CG1 C 13 28.728 . . . . . . . A 629 ILE CG1 . 30093 1 196 . 1 . 1 17 17 ILE CG2 C 13 17.6699 . . . . . . . A 629 ILE CG2 . 30093 1 197 . 1 . 1 17 17 ILE CD1 C 13 14.8015 . . . . . . . A 629 ILE CD1 . 30093 1 198 . 1 . 1 17 17 ILE N N 15 119.1557 . . . . . . . A 629 ILE N . 30093 1 199 . 1 . 1 18 18 CYS H H 1 8.4371 . . . . . . . A 630 CYS H . 30093 1 200 . 1 . 1 18 18 CYS HA H 1 3.8974 . . . . . . . A 630 CYS HA . 30093 1 201 . 1 . 1 18 18 CYS HB2 H 1 2.3464 . . . . . . . A 630 CYS HB2 . 30093 1 202 . 1 . 1 18 18 CYS HB3 H 1 3.1489 . . . . . . . A 630 CYS HB3 . 30093 1 203 . 1 . 1 18 18 CYS C C 13 177.7369 . . . . . . . A 630 CYS C . 30093 1 204 . 1 . 1 18 18 CYS CA C 13 45.1001 . . . . . . . A 630 CYS CA . 30093 1 205 . 1 . 1 18 18 CYS CB C 13 46.4169 . . . . . . . A 630 CYS CB . 30093 1 206 . 1 . 1 18 18 CYS N N 15 115.3748 . . . . . . . A 630 CYS N . 30093 1 207 . 1 . 1 19 19 SER H H 1 7.912 . . . . . . . A 631 SER H . 30093 1 208 . 1 . 1 19 19 SER HA H 1 4.4194 . . . . . . . A 631 SER HA . 30093 1 209 . 1 . 1 19 19 SER HB2 H 1 4.0647 . . . . . . . A 631 SER HB2 . 30093 1 210 . 1 . 1 19 19 SER HB3 H 1 4.0647 . . . . . . . A 631 SER HB3 . 30093 1 211 . 1 . 1 19 19 SER C C 13 176.6251 . . . . . . . A 631 SER C . 30093 1 212 . 1 . 1 19 19 SER CA C 13 61.8122 . . . . . . . A 631 SER CA . 30093 1 213 . 1 . 1 19 19 SER CB C 13 62.8858 . . . . . . . A 631 SER CB . 30093 1 214 . 1 . 1 19 19 SER N N 15 117.8775 . . . . . . . A 631 SER N . 30093 1 215 . 1 . 1 20 20 ILE H H 1 8.4031 . . . . . . . A 632 ILE H . 30093 1 216 . 1 . 1 20 20 ILE HA H 1 3.7234 . . . . . . . A 632 ILE HA . 30093 1 217 . 1 . 1 20 20 ILE HB H 1 1.7598 . . . . . . . A 632 ILE HB . 30093 1 218 . 1 . 1 20 20 ILE HG12 H 1 1.1009 . . . . . . . A 632 ILE HG12 . 30093 1 219 . 1 . 1 20 20 ILE HG13 H 1 1.8665 . . . . . . . A 632 ILE HG13 . 30093 1 220 . 1 . 1 20 20 ILE HG21 H 1 1.0912 . . . . . . . A 632 ILE HG21 . 30093 1 221 . 1 . 1 20 20 ILE HG22 H 1 1.0912 . . . . . . . A 632 ILE HG22 . 30093 1 222 . 1 . 1 20 20 ILE HG23 H 1 1.0912 . . . . . . . A 632 ILE HG23 . 30093 1 223 . 1 . 1 20 20 ILE HD11 H 1 0.7018 . . . . . . . A 632 ILE HD11 . 30093 1 224 . 1 . 1 20 20 ILE HD12 H 1 0.7018 . . . . . . . A 632 ILE HD12 . 30093 1 225 . 1 . 1 20 20 ILE HD13 H 1 0.7018 . . . . . . . A 632 ILE HD13 . 30093 1 226 . 1 . 1 20 20 ILE C C 13 178.7134 . . . . . . . A 632 ILE C . 30093 1 227 . 1 . 1 20 20 ILE CA C 13 65.4103 . . . . . . . A 632 ILE CA . 30093 1 228 . 1 . 1 20 20 ILE CB C 13 39.286 . . . . . . . A 632 ILE CB . 30093 1 229 . 1 . 1 20 20 ILE CG1 C 13 28.794 . . . . . . . A 632 ILE CG1 . 30093 1 230 . 1 . 1 20 20 ILE CG2 C 13 17.9758 . . . . . . . A 632 ILE CG2 . 30093 1 231 . 1 . 1 20 20 ILE CD1 C 13 14.8021 . . . . . . . A 632 ILE CD1 . 30093 1 232 . 1 . 1 20 20 ILE N N 15 122.3372 . . . . . . . A 632 ILE N . 30093 1 233 . 1 . 1 21 21 LEU H H 1 8.3026 . . . . . . . A 633 LEU H . 30093 1 234 . 1 . 1 21 21 LEU HA H 1 4.2425 . . . . . . . A 633 LEU HA . 30093 1 235 . 1 . 1 21 21 LEU HB2 H 1 1.1955 . . . . . . . A 633 LEU HB2 . 30093 1 236 . 1 . 1 21 21 LEU HB3 H 1 1.9269 . . . . . . . A 633 LEU HB3 . 30093 1 237 . 1 . 1 21 21 LEU HG H 1 1.932 . . . . . . . A 633 LEU HG . 30093 1 238 . 1 . 1 21 21 LEU HD11 H 1 0.5766 . . . . . . . A 633 LEU HD11 . 30093 1 239 . 1 . 1 21 21 LEU HD12 H 1 0.5766 . . . . . . . A 633 LEU HD12 . 30093 1 240 . 1 . 1 21 21 LEU HD13 H 1 0.5766 . . . . . . . A 633 LEU HD13 . 30093 1 241 . 1 . 1 21 21 LEU HD21 H 1 0.7061 . . . . . . . A 633 LEU HD21 . 30093 1 242 . 1 . 1 21 21 LEU HD22 H 1 0.7061 . . . . . . . A 633 LEU HD22 . 30093 1 243 . 1 . 1 21 21 LEU HD23 H 1 0.7061 . . . . . . . A 633 LEU HD23 . 30093 1 244 . 1 . 1 21 21 LEU C C 13 178.5133 . . . . . . . A 633 LEU C . 30093 1 245 . 1 . 1 21 21 LEU CA C 13 57.6235 . . . . . . . A 633 LEU CA . 30093 1 246 . 1 . 1 21 21 LEU CB C 13 41.5712 . . . . . . . A 633 LEU CB . 30093 1 247 . 1 . 1 21 21 LEU CG C 13 27.0629 . . . . . . . A 633 LEU CG . 30093 1 248 . 1 . 1 21 21 LEU CD1 C 13 21.9309 . . . . . . . A 633 LEU CD1 . 30093 1 249 . 1 . 1 21 21 LEU CD2 C 13 26.3927 . . . . . . . A 633 LEU CD2 . 30093 1 250 . 1 . 1 21 21 LEU N N 15 115.4776 . . . . . . . A 633 LEU N . 30093 1 251 . 1 . 1 22 22 THR H H 1 8.0333 . . . . . . . A 634 THR H . 30093 1 252 . 1 . 1 22 22 THR HA H 1 4.6979 . . . . . . . A 634 THR HA . 30093 1 253 . 1 . 1 22 22 THR HB H 1 4.2799 . . . . . . . A 634 THR HB . 30093 1 254 . 1 . 1 22 22 THR HG21 H 1 1.15 . . . . . . . A 634 THR HG21 . 30093 1 255 . 1 . 1 22 22 THR HG22 H 1 1.15 . . . . . . . A 634 THR HG22 . 30093 1 256 . 1 . 1 22 22 THR HG23 H 1 1.15 . . . . . . . A 634 THR HG23 . 30093 1 257 . 1 . 1 22 22 THR C C 13 178.5939 . . . . . . . A 634 THR C . 30093 1 258 . 1 . 1 22 22 THR CA C 13 66.9153 . . . . . . . A 634 THR CA . 30093 1 259 . 1 . 1 22 22 THR CB C 13 68.3804 . . . . . . . A 634 THR CB . 30093 1 260 . 1 . 1 22 22 THR CG2 C 13 20.9016 . . . . . . . A 634 THR CG2 . 30093 1 261 . 1 . 1 22 22 THR N N 15 117.116 . . . . . . . A 634 THR N . 30093 1 262 . 1 . 1 23 23 THR H H 1 7.8961 . . . . . . . A 635 THR H . 30093 1 263 . 1 . 1 23 23 THR HA H 1 4.0252 . . . . . . . A 635 THR HA . 30093 1 264 . 1 . 1 23 23 THR HB H 1 4.3525 . . . . . . . A 635 THR HB . 30093 1 265 . 1 . 1 23 23 THR HG21 H 1 1.3131 . . . . . . . A 635 THR HG21 . 30093 1 266 . 1 . 1 23 23 THR HG22 H 1 1.3131 . . . . . . . A 635 THR HG22 . 30093 1 267 . 1 . 1 23 23 THR HG23 H 1 1.3131 . . . . . . . A 635 THR HG23 . 30093 1 268 . 1 . 1 23 23 THR C C 13 175.3073 . . . . . . . A 635 THR C . 30093 1 269 . 1 . 1 23 23 THR CA C 13 66.4652 . . . . . . . A 635 THR CA . 30093 1 270 . 1 . 1 23 23 THR CB C 13 68.7193 . . . . . . . A 635 THR CB . 30093 1 271 . 1 . 1 23 23 THR CG2 C 13 21.8451 . . . . . . . A 635 THR CG2 . 30093 1 272 . 1 . 1 23 23 THR N N 15 117.7212 . . . . . . . A 635 THR N . 30093 1 273 . 1 . 1 24 24 ALA H H 1 7.2115 . . . . . . . A 636 ALA H . 30093 1 274 . 1 . 1 24 24 ALA HA H 1 4.4111 . . . . . . . A 636 ALA HA . 30093 1 275 . 1 . 1 24 24 ALA HB1 H 1 1.6929 . . . . . . . A 636 ALA HB1 . 30093 1 276 . 1 . 1 24 24 ALA HB2 H 1 1.6929 . . . . . . . A 636 ALA HB2 . 30093 1 277 . 1 . 1 24 24 ALA HB3 H 1 1.6929 . . . . . . . A 636 ALA HB3 . 30093 1 278 . 1 . 1 24 24 ALA C C 13 176.9318 . . . . . . . A 636 ALA C . 30093 1 279 . 1 . 1 24 24 ALA CA C 13 52.3792 . . . . . . . A 636 ALA CA . 30093 1 280 . 1 . 1 24 24 ALA CB C 13 19.9979 . . . . . . . A 636 ALA CB . 30093 1 281 . 1 . 1 24 24 ALA N N 15 120.7123 . . . . . . . A 636 ALA N . 30093 1 282 . 1 . 1 25 25 GLY H H 1 7.7644 . . . . . . . A 637 GLY H . 30093 1 283 . 1 . 1 25 25 GLY HA2 H 1 3.5421 . . . . . . . A 637 GLY HA2 . 30093 1 284 . 1 . 1 25 25 GLY HA3 H 1 4.1439 . . . . . . . A 637 GLY HA3 . 30093 1 285 . 1 . 1 25 25 GLY C C 13 174.3842 . . . . . . . A 637 GLY C . 30093 1 286 . 1 . 1 25 25 GLY CA C 13 45.4158 . . . . . . . A 637 GLY CA . 30093 1 287 . 1 . 1 25 25 GLY N N 15 111.5966 . . . . . . . A 637 GLY N . 30093 1 288 . 1 . 1 26 26 TYR H H 1 7.7873 . . . . . . . A 638 TYR H . 30093 1 289 . 1 . 1 26 26 TYR HA H 1 4.6358 . . . . . . . A 638 TYR HA . 30093 1 290 . 1 . 1 26 26 TYR HB2 H 1 2.4064 . . . . . . . A 638 TYR HB2 . 30093 1 291 . 1 . 1 26 26 TYR HB3 H 1 2.9086 . . . . . . . A 638 TYR HB3 . 30093 1 292 . 1 . 1 26 26 TYR C C 13 174.686 . . . . . . . A 638 TYR C . 30093 1 293 . 1 . 1 26 26 TYR CA C 13 58.0745 . . . . . . . A 638 TYR CA . 30093 1 294 . 1 . 1 26 26 TYR CB C 13 38.8032 . . . . . . . A 638 TYR CB . 30093 1 295 . 1 . 1 26 26 TYR N N 15 118.7968 . . . . . . . A 638 TYR N . 30093 1 296 . 1 . 1 27 27 GLN H H 1 8.4196 . . . . . . . A 639 GLN H . 30093 1 297 . 1 . 1 27 27 GLN HA H 1 4.9918 . . . . . . . A 639 GLN HA . 30093 1 298 . 1 . 1 27 27 GLN HB2 H 1 1.9855 . . . . . . . A 639 GLN HB2 . 30093 1 299 . 1 . 1 27 27 GLN HB3 H 1 2.2279 . . . . . . . A 639 GLN HB3 . 30093 1 300 . 1 . 1 27 27 GLN C C 13 174.4974 . . . . . . . A 639 GLN C . 30093 1 301 . 1 . 1 27 27 GLN CA C 13 53.8246 . . . . . . . A 639 GLN CA . 30093 1 302 . 1 . 1 27 27 GLN CB C 13 30.0616 . . . . . . . A 639 GLN CB . 30093 1 303 . 1 . 1 27 27 GLN N N 15 120.2708 . . . . . . . A 639 GLN N . 30093 1 304 . 1 . 1 28 28 VAL H H 1 9.9678 . . . . . . . A 640 VAL H . 30093 1 305 . 1 . 1 28 28 VAL HA H 1 5.0822 . . . . . . . A 640 VAL HA . 30093 1 306 . 1 . 1 28 28 VAL HB H 1 2.0053 . . . . . . . A 640 VAL HB . 30093 1 307 . 1 . 1 28 28 VAL HG11 H 1 0.9892 . . . . . . . A 640 VAL HG11 . 30093 1 308 . 1 . 1 28 28 VAL HG12 H 1 0.9892 . . . . . . . A 640 VAL HG12 . 30093 1 309 . 1 . 1 28 28 VAL HG13 H 1 0.9892 . . . . . . . A 640 VAL HG13 . 30093 1 310 . 1 . 1 28 28 VAL HG21 H 1 0.9271 . . . . . . . A 640 VAL HG21 . 30093 1 311 . 1 . 1 28 28 VAL HG22 H 1 0.9271 . . . . . . . A 640 VAL HG22 . 30093 1 312 . 1 . 1 28 28 VAL HG23 H 1 0.9271 . . . . . . . A 640 VAL HG23 . 30093 1 313 . 1 . 1 28 28 VAL C C 13 176.3475 . . . . . . . A 640 VAL C . 30093 1 314 . 1 . 1 28 28 VAL CA C 13 61.4589 . . . . . . . A 640 VAL CA . 30093 1 315 . 1 . 1 28 28 VAL CB C 13 33.2744 . . . . . . . A 640 VAL CB . 30093 1 316 . 1 . 1 28 28 VAL CG1 C 13 22.7414 . . . . . . . A 640 VAL CG1 . 30093 1 317 . 1 . 1 28 28 VAL CG2 C 13 24.0898 . . . . . . . A 640 VAL CG2 . 30093 1 318 . 1 . 1 28 28 VAL N N 15 129.1297 . . . . . . . A 640 VAL N . 30093 1 319 . 1 . 1 29 29 ILE H H 1 8.739 . . . . . . . A 641 ILE H . 30093 1 320 . 1 . 1 29 29 ILE HA H 1 5.1332 . . . . . . . A 641 ILE HA . 30093 1 321 . 1 . 1 29 29 ILE HB H 1 1.9036 . . . . . . . A 641 ILE HB . 30093 1 322 . 1 . 1 29 29 ILE HG12 H 1 1.325 . . . . . . . A 641 ILE HG12 . 30093 1 323 . 1 . 1 29 29 ILE HG13 H 1 1.5491 . . . . . . . A 641 ILE HG13 . 30093 1 324 . 1 . 1 29 29 ILE HG21 H 1 0.8829 . . . . . . . A 641 ILE HG21 . 30093 1 325 . 1 . 1 29 29 ILE HG22 H 1 0.8829 . . . . . . . A 641 ILE HG22 . 30093 1 326 . 1 . 1 29 29 ILE HG23 H 1 0.8829 . . . . . . . A 641 ILE HG23 . 30093 1 327 . 1 . 1 29 29 ILE HD11 H 1 0.8936 . . . . . . . A 641 ILE HD11 . 30093 1 328 . 1 . 1 29 29 ILE HD12 H 1 0.8936 . . . . . . . A 641 ILE HD12 . 30093 1 329 . 1 . 1 29 29 ILE HD13 H 1 0.8936 . . . . . . . A 641 ILE HD13 . 30093 1 330 . 1 . 1 29 29 ILE C C 13 173.1221 . . . . . . . A 641 ILE C . 30093 1 331 . 1 . 1 29 29 ILE CA C 13 60.3627 . . . . . . . A 641 ILE CA . 30093 1 332 . 1 . 1 29 29 ILE CB C 13 39.6136 . . . . . . . A 641 ILE CB . 30093 1 333 . 1 . 1 29 29 ILE CG1 C 13 29.0246 . . . . . . . A 641 ILE CG1 . 30093 1 334 . 1 . 1 29 29 ILE CG2 C 13 19.7725 . . . . . . . A 641 ILE CG2 . 30093 1 335 . 1 . 1 29 29 ILE CD1 C 13 14.8801 . . . . . . . A 641 ILE CD1 . 30093 1 336 . 1 . 1 29 29 ILE N N 15 128.8637 . . . . . . . A 641 ILE N . 30093 1 337 . 1 . 1 30 30 TRP H H 1 10.0632 . . . . . . . A 642 TRP H . 30093 1 338 . 1 . 1 30 30 TRP HA H 1 5.9124 . . . . . . . A 642 TRP HA . 30093 1 339 . 1 . 1 30 30 TRP HB2 H 1 2.7249 . . . . . . . A 642 TRP HB2 . 30093 1 340 . 1 . 1 30 30 TRP HB3 H 1 3.1905 . . . . . . . A 642 TRP HB3 . 30093 1 341 . 1 . 1 30 30 TRP HE1 H 1 10.3548 . . . . . . . A 642 TRP HE1 . 30093 1 342 . 1 . 1 30 30 TRP C C 13 173.5419 . . . . . . . A 642 TRP C . 30093 1 343 . 1 . 1 30 30 TRP CA C 13 53.1878 . . . . . . . A 642 TRP CA . 30093 1 344 . 1 . 1 30 30 TRP CB C 13 31.1445 . . . . . . . A 642 TRP CB . 30093 1 345 . 1 . 1 30 30 TRP N N 15 131.9854 . . . . . . . A 642 TRP N . 30093 1 346 . 1 . 1 30 30 TRP NE1 N 15 130.5007 . . . . . . . A 642 TRP NE1 . 30093 1 347 . 1 . 1 31 31 LEU H H 1 9.8456 . . . . . . . A 643 LEU H . 30093 1 348 . 1 . 1 31 31 LEU HA H 1 4.7975 . . . . . . . A 643 LEU HA . 30093 1 349 . 1 . 1 31 31 LEU HB2 H 1 1.7244 . . . . . . . A 643 LEU HB2 . 30093 1 350 . 1 . 1 31 31 LEU HB3 H 1 2.0011 . . . . . . . A 643 LEU HB3 . 30093 1 351 . 1 . 1 31 31 LEU HG H 1 1.7519 . . . . . . . A 643 LEU HG . 30093 1 352 . 1 . 1 31 31 LEU HD11 H 1 0.8088 . . . . . . . A 643 LEU HD11 . 30093 1 353 . 1 . 1 31 31 LEU HD12 H 1 0.8088 . . . . . . . A 643 LEU HD12 . 30093 1 354 . 1 . 1 31 31 LEU HD13 H 1 0.8088 . . . . . . . A 643 LEU HD13 . 30093 1 355 . 1 . 1 31 31 LEU HD21 H 1 0.8497 . . . . . . . A 643 LEU HD21 . 30093 1 356 . 1 . 1 31 31 LEU HD22 H 1 0.8497 . . . . . . . A 643 LEU HD22 . 30093 1 357 . 1 . 1 31 31 LEU HD23 H 1 0.8497 . . . . . . . A 643 LEU HD23 . 30093 1 358 . 1 . 1 31 31 LEU C C 13 175.29 . . . . . . . A 643 LEU C . 30093 1 359 . 1 . 1 31 31 LEU CA C 13 53.3369 . . . . . . . A 643 LEU CA . 30093 1 360 . 1 . 1 31 31 LEU CB C 13 43.4925 . . . . . . . A 643 LEU CB . 30093 1 361 . 1 . 1 31 31 LEU CG C 13 27.6887 . . . . . . . A 643 LEU CG . 30093 1 362 . 1 . 1 31 31 LEU CD1 C 13 23.89 . . . . . . . A 643 LEU CD1 . 30093 1 363 . 1 . 1 31 31 LEU CD2 C 13 26.0324 . . . . . . . A 643 LEU CD2 . 30093 1 364 . 1 . 1 31 31 LEU N N 15 126.8612 . . . . . . . A 643 LEU N . 30093 1 365 . 1 . 1 32 32 VAL H H 1 7.6237 . . . . . . . A 644 VAL H . 30093 1 366 . 1 . 1 32 32 VAL HA H 1 4.5209 . . . . . . . A 644 VAL HA . 30093 1 367 . 1 . 1 32 32 VAL HB H 1 2.3613 . . . . . . . A 644 VAL HB . 30093 1 368 . 1 . 1 32 32 VAL HG11 H 1 0.7685 . . . . . . . A 644 VAL HG11 . 30093 1 369 . 1 . 1 32 32 VAL HG12 H 1 0.7685 . . . . . . . A 644 VAL HG12 . 30093 1 370 . 1 . 1 32 32 VAL HG13 H 1 0.7685 . . . . . . . A 644 VAL HG13 . 30093 1 371 . 1 . 1 32 32 VAL HG21 H 1 0.7227 . . . . . . . A 644 VAL HG21 . 30093 1 372 . 1 . 1 32 32 VAL HG22 H 1 0.7227 . . . . . . . A 644 VAL HG22 . 30093 1 373 . 1 . 1 32 32 VAL HG23 H 1 0.7227 . . . . . . . A 644 VAL HG23 . 30093 1 374 . 1 . 1 32 32 VAL C C 13 174.3535 . . . . . . . A 644 VAL C . 30093 1 375 . 1 . 1 32 32 VAL CA C 13 60.6103 . . . . . . . A 644 VAL CA . 30093 1 376 . 1 . 1 32 32 VAL CB C 13 31.7468 . . . . . . . A 644 VAL CB . 30093 1 377 . 1 . 1 32 32 VAL CG1 C 13 19.8537 . . . . . . . A 644 VAL CG1 . 30093 1 378 . 1 . 1 32 32 VAL CG2 C 13 21.8128 . . . . . . . A 644 VAL CG2 . 30093 1 379 . 1 . 1 32 32 VAL N N 15 111.9287 . . . . . . . A 644 VAL N . 30093 1 380 . 1 . 1 33 33 ASP H H 1 7.3045 . . . . . . . A 645 ASP H . 30093 1 381 . 1 . 1 33 33 ASP HA H 1 4.7442 . . . . . . . A 645 ASP HA . 30093 1 382 . 1 . 1 33 33 ASP HB2 H 1 2.583 . . . . . . . A 645 ASP HB2 . 30093 1 383 . 1 . 1 33 33 ASP HB3 H 1 2.583 . . . . . . . A 645 ASP HB3 . 30093 1 384 . 1 . 1 33 33 ASP C C 13 175.3512 . . . . . . . A 645 ASP C . 30093 1 385 . 1 . 1 33 33 ASP CA C 13 52.7699 . . . . . . . A 645 ASP CA . 30093 1 386 . 1 . 1 33 33 ASP CB C 13 44.4993 . . . . . . . A 645 ASP CB . 30093 1 387 . 1 . 1 33 33 ASP N N 15 116.6095 . . . . . . . A 645 ASP N . 30093 1 388 . 1 . 1 34 34 GLY H H 1 8.5006 . . . . . . . A 646 GLY H . 30093 1 389 . 1 . 1 34 34 GLY HA2 H 1 3.3948 . . . . . . . A 646 GLY HA2 . 30093 1 390 . 1 . 1 34 34 GLY HA3 H 1 3.9732 . . . . . . . A 646 GLY HA3 . 30093 1 391 . 1 . 1 34 34 GLY C C 13 172.7726 . . . . . . . A 646 GLY C . 30093 1 392 . 1 . 1 34 34 GLY CA C 13 45.8984 . . . . . . . A 646 GLY CA . 30093 1 393 . 1 . 1 34 34 GLY N N 15 108.1943 . . . . . . . A 646 GLY N . 30093 1 394 . 1 . 1 35 35 GLU H H 1 7.2623 . . . . . . . A 647 GLU H . 30093 1 395 . 1 . 1 35 35 GLU HA H 1 4.3016 . . . . . . . A 647 GLU HA . 30093 1 396 . 1 . 1 35 35 GLU HB2 H 1 1.877 . . . . . . . A 647 GLU HB2 . 30093 1 397 . 1 . 1 35 35 GLU HB3 H 1 2.0559 . . . . . . . A 647 GLU HB3 . 30093 1 398 . 1 . 1 35 35 GLU HG2 H 1 2.1226 . . . . . . . A 647 GLU HG2 . 30093 1 399 . 1 . 1 35 35 GLU HG3 H 1 2.2521 . . . . . . . A 647 GLU HG3 . 30093 1 400 . 1 . 1 35 35 GLU C C 13 177.4345 . . . . . . . A 647 GLU C . 30093 1 401 . 1 . 1 35 35 GLU CA C 13 56.2679 . . . . . . . A 647 GLU CA . 30093 1 402 . 1 . 1 35 35 GLU CB C 13 30.1139 . . . . . . . A 647 GLU CB . 30093 1 403 . 1 . 1 35 35 GLU CG C 13 37.1144 . . . . . . . A 647 GLU CG . 30093 1 404 . 1 . 1 35 35 GLU N N 15 122.1206 . . . . . . . A 647 GLU N . 30093 1 405 . 1 . 1 36 36 VAL H H 1 8.4617 . . . . . . . A 648 VAL H . 30093 1 406 . 1 . 1 36 36 VAL HA H 1 3.4911 . . . . . . . A 648 VAL HA . 30093 1 407 . 1 . 1 36 36 VAL HB H 1 2.0446 . . . . . . . A 648 VAL HB . 30093 1 408 . 1 . 1 36 36 VAL HG11 H 1 0.8689 . . . . . . . A 648 VAL HG11 . 30093 1 409 . 1 . 1 36 36 VAL HG12 H 1 0.8689 . . . . . . . A 648 VAL HG12 . 30093 1 410 . 1 . 1 36 36 VAL HG13 H 1 0.8689 . . . . . . . A 648 VAL HG13 . 30093 1 411 . 1 . 1 36 36 VAL HG21 H 1 0.9876 . . . . . . . A 648 VAL HG21 . 30093 1 412 . 1 . 1 36 36 VAL HG22 H 1 0.9876 . . . . . . . A 648 VAL HG22 . 30093 1 413 . 1 . 1 36 36 VAL HG23 H 1 0.9876 . . . . . . . A 648 VAL HG23 . 30093 1 414 . 1 . 1 36 36 VAL C C 13 176.7145 . . . . . . . A 648 VAL C . 30093 1 415 . 1 . 1 36 36 VAL CA C 13 66.9316 . . . . . . . A 648 VAL CA . 30093 1 416 . 1 . 1 36 36 VAL CB C 13 31.9158 . . . . . . . A 648 VAL CB . 30093 1 417 . 1 . 1 36 36 VAL CG1 C 13 20.8967 . . . . . . . A 648 VAL CG1 . 30093 1 418 . 1 . 1 36 36 VAL CG2 C 13 22.9165 . . . . . . . A 648 VAL CG2 . 30093 1 419 . 1 . 1 36 36 VAL N N 15 128.706 . . . . . . . A 648 VAL N . 30093 1 420 . 1 . 1 37 37 GLU H H 1 8.9532 . . . . . . . A 649 GLU H . 30093 1 421 . 1 . 1 37 37 GLU HA H 1 3.9319 . . . . . . . A 649 GLU HA . 30093 1 422 . 1 . 1 37 37 GLU HB2 H 1 1.972 . . . . . . . A 649 GLU HB2 . 30093 1 423 . 1 . 1 37 37 GLU HB3 H 1 2.0051 . . . . . . . A 649 GLU HB3 . 30093 1 424 . 1 . 1 37 37 GLU HG2 H 1 2.2327 . . . . . . . A 649 GLU HG2 . 30093 1 425 . 1 . 1 37 37 GLU HG3 H 1 2.2998 . . . . . . . A 649 GLU HG3 . 30093 1 426 . 1 . 1 37 37 GLU C C 13 179.6625 . . . . . . . A 649 GLU C . 30093 1 427 . 1 . 1 37 37 GLU CA C 13 59.7686 . . . . . . . A 649 GLU CA . 30093 1 428 . 1 . 1 37 37 GLU CB C 13 28.8781 . . . . . . . A 649 GLU CB . 30093 1 429 . 1 . 1 37 37 GLU CG C 13 36.3487 . . . . . . . A 649 GLU CG . 30093 1 430 . 1 . 1 37 37 GLU N N 15 119.1602 . . . . . . . A 649 GLU N . 30093 1 431 . 1 . 1 38 38 ARG H H 1 7.4653 . . . . . . . A 650 ARG H . 30093 1 432 . 1 . 1 38 38 ARG HA H 1 3.8653 . . . . . . . A 650 ARG HA . 30093 1 433 . 1 . 1 38 38 ARG HB2 H 1 1.657 . . . . . . . A 650 ARG HB2 . 30093 1 434 . 1 . 1 38 38 ARG HB3 H 1 1.8379 . . . . . . . A 650 ARG HB3 . 30093 1 435 . 1 . 1 38 38 ARG HG2 H 1 1.4144 . . . . . . . A 650 ARG HG2 . 30093 1 436 . 1 . 1 38 38 ARG HG3 H 1 1.53 . . . . . . . A 650 ARG HG3 . 30093 1 437 . 1 . 1 38 38 ARG HD2 H 1 3.0166 . . . . . . . A 650 ARG HD2 . 30093 1 438 . 1 . 1 38 38 ARG HD3 H 1 3.2138 . . . . . . . A 650 ARG HD3 . 30093 1 439 . 1 . 1 38 38 ARG C C 13 176.5344 . . . . . . . A 650 ARG C . 30093 1 440 . 1 . 1 38 38 ARG CA C 13 59.1321 . . . . . . . A 650 ARG CA . 30093 1 441 . 1 . 1 38 38 ARG CB C 13 30.0548 . . . . . . . A 650 ARG CB . 30093 1 442 . 1 . 1 38 38 ARG CG C 13 28.4309 . . . . . . . A 650 ARG CG . 30093 1 443 . 1 . 1 38 38 ARG CD C 13 43.3687 . . . . . . . A 650 ARG CD . 30093 1 444 . 1 . 1 38 38 ARG N N 15 118.9846 . . . . . . . A 650 ARG N . 30093 1 445 . 1 . 1 39 39 LEU H H 1 7.2353 . . . . . . . A 651 LEU H . 30093 1 446 . 1 . 1 39 39 LEU HA H 1 3.7337 . . . . . . . A 651 LEU HA . 30093 1 447 . 1 . 1 39 39 LEU HB2 H 1 1.4672 . . . . . . . A 651 LEU HB2 . 30093 1 448 . 1 . 1 39 39 LEU HB3 H 1 1.8368 . . . . . . . A 651 LEU HB3 . 30093 1 449 . 1 . 1 39 39 LEU HG H 1 1.6937 . . . . . . . A 651 LEU HG . 30093 1 450 . 1 . 1 39 39 LEU HD11 H 1 0.7834 . . . . . . . A 651 LEU HD11 . 30093 1 451 . 1 . 1 39 39 LEU HD12 H 1 0.7834 . . . . . . . A 651 LEU HD12 . 30093 1 452 . 1 . 1 39 39 LEU HD13 H 1 0.7834 . . . . . . . A 651 LEU HD13 . 30093 1 453 . 1 . 1 39 39 LEU HD21 H 1 0.7586 . . . . . . . A 651 LEU HD21 . 30093 1 454 . 1 . 1 39 39 LEU HD22 H 1 0.7586 . . . . . . . A 651 LEU HD22 . 30093 1 455 . 1 . 1 39 39 LEU HD23 H 1 0.7586 . . . . . . . A 651 LEU HD23 . 30093 1 456 . 1 . 1 39 39 LEU C C 13 178.9448 . . . . . . . A 651 LEU C . 30093 1 457 . 1 . 1 39 39 LEU CA C 13 59.6533 . . . . . . . A 651 LEU CA . 30093 1 458 . 1 . 1 39 39 LEU CB C 13 42.8204 . . . . . . . A 651 LEU CB . 30093 1 459 . 1 . 1 39 39 LEU CG C 13 28.4071 . . . . . . . A 651 LEU CG . 30093 1 460 . 1 . 1 39 39 LEU CD1 C 13 26.4429 . . . . . . . A 651 LEU CD1 . 30093 1 461 . 1 . 1 39 39 LEU CD2 C 13 25.4849 . . . . . . . A 651 LEU CD2 . 30093 1 462 . 1 . 1 39 39 LEU N N 15 117.1839 . . . . . . . A 651 LEU N . 30093 1 463 . 1 . 1 40 40 LEU H H 1 8.1351 . . . . . . . A 652 LEU H . 30093 1 464 . 1 . 1 40 40 LEU HA H 1 3.9295 . . . . . . . A 652 LEU HA . 30093 1 465 . 1 . 1 40 40 LEU HB2 H 1 1.428 . . . . . . . A 652 LEU HB2 . 30093 1 466 . 1 . 1 40 40 LEU HB3 H 1 1.7638 . . . . . . . A 652 LEU HB3 . 30093 1 467 . 1 . 1 40 40 LEU HG H 1 1.7121 . . . . . . . A 652 LEU HG . 30093 1 468 . 1 . 1 40 40 LEU HD11 H 1 0.7731 . . . . . . . A 652 LEU HD11 . 30093 1 469 . 1 . 1 40 40 LEU HD12 H 1 0.7731 . . . . . . . A 652 LEU HD12 . 30093 1 470 . 1 . 1 40 40 LEU HD13 H 1 0.7731 . . . . . . . A 652 LEU HD13 . 30093 1 471 . 1 . 1 40 40 LEU HD21 H 1 0.7927 . . . . . . . A 652 LEU HD21 . 30093 1 472 . 1 . 1 40 40 LEU HD22 H 1 0.7927 . . . . . . . A 652 LEU HD22 . 30093 1 473 . 1 . 1 40 40 LEU HD23 H 1 0.7927 . . . . . . . A 652 LEU HD23 . 30093 1 474 . 1 . 1 40 40 LEU C C 13 180.917 . . . . . . . A 652 LEU C . 30093 1 475 . 1 . 1 40 40 LEU CA C 13 56.97 . . . . . . . A 652 LEU CA . 30093 1 476 . 1 . 1 40 40 LEU CB C 13 41.2426 . . . . . . . A 652 LEU CB . 30093 1 477 . 1 . 1 40 40 LEU CG C 13 26.7734 . . . . . . . A 652 LEU CG . 30093 1 478 . 1 . 1 40 40 LEU CD1 C 13 22.9552 . . . . . . . A 652 LEU CD1 . 30093 1 479 . 1 . 1 40 40 LEU CD2 C 13 26.5005 . . . . . . . A 652 LEU CD2 . 30093 1 480 . 1 . 1 40 40 LEU N N 15 115.0218 . . . . . . . A 652 LEU N . 30093 1 481 . 1 . 1 41 41 ALA H H 1 7.7103 . . . . . . . A 653 ALA H . 30093 1 482 . 1 . 1 41 41 ALA HA H 1 4.1511 . . . . . . . A 653 ALA HA . 30093 1 483 . 1 . 1 41 41 ALA HB1 H 1 1.4788 . . . . . . . A 653 ALA HB1 . 30093 1 484 . 1 . 1 41 41 ALA HB2 H 1 1.4788 . . . . . . . A 653 ALA HB2 . 30093 1 485 . 1 . 1 41 41 ALA HB3 H 1 1.4788 . . . . . . . A 653 ALA HB3 . 30093 1 486 . 1 . 1 41 41 ALA C C 13 178.6544 . . . . . . . A 653 ALA C . 30093 1 487 . 1 . 1 41 41 ALA CA C 13 54.1629 . . . . . . . A 653 ALA CA . 30093 1 488 . 1 . 1 41 41 ALA CB C 13 17.9132 . . . . . . . A 653 ALA CB . 30093 1 489 . 1 . 1 41 41 ALA N N 15 122.4422 . . . . . . . A 653 ALA N . 30093 1 490 . 1 . 1 42 42 LEU H H 1 7.1228 . . . . . . . A 654 LEU H . 30093 1 491 . 1 . 1 42 42 LEU HA H 1 4.0998 . . . . . . . A 654 LEU HA . 30093 1 492 . 1 . 1 42 42 LEU HB2 H 1 1.3833 . . . . . . . A 654 LEU HB2 . 30093 1 493 . 1 . 1 42 42 LEU HB3 H 1 1.9873 . . . . . . . A 654 LEU HB3 . 30093 1 494 . 1 . 1 42 42 LEU HG H 1 1.8344 . . . . . . . A 654 LEU HG . 30093 1 495 . 1 . 1 42 42 LEU HD11 H 1 0.8953 . . . . . . . A 654 LEU HD11 . 30093 1 496 . 1 . 1 42 42 LEU HD12 H 1 0.8953 . . . . . . . A 654 LEU HD12 . 30093 1 497 . 1 . 1 42 42 LEU HD13 H 1 0.8953 . . . . . . . A 654 LEU HD13 . 30093 1 498 . 1 . 1 42 42 LEU HD21 H 1 0.7499 . . . . . . . A 654 LEU HD21 . 30093 1 499 . 1 . 1 42 42 LEU HD22 H 1 0.7499 . . . . . . . A 654 LEU HD22 . 30093 1 500 . 1 . 1 42 42 LEU HD23 H 1 0.7499 . . . . . . . A 654 LEU HD23 . 30093 1 501 . 1 . 1 42 42 LEU C C 13 175.8054 . . . . . . . A 654 LEU C . 30093 1 502 . 1 . 1 42 42 LEU CA C 13 54.5221 . . . . . . . A 654 LEU CA . 30093 1 503 . 1 . 1 42 42 LEU CB C 13 43.1215 . . . . . . . A 654 LEU CB . 30093 1 504 . 1 . 1 42 42 LEU CG C 13 26.8934 . . . . . . . A 654 LEU CG . 30093 1 505 . 1 . 1 42 42 LEU CD1 C 13 26.8419 . . . . . . . A 654 LEU CD1 . 30093 1 506 . 1 . 1 42 42 LEU CD2 C 13 22.8039 . . . . . . . A 654 LEU CD2 . 30093 1 507 . 1 . 1 42 42 LEU N N 15 114.6915 . . . . . . . A 654 LEU N . 30093 1 508 . 1 . 1 43 43 THR H H 1 7.6403 . . . . . . . A 655 THR H . 30093 1 509 . 1 . 1 43 43 THR HA H 1 3.8852 . . . . . . . A 655 THR HA . 30093 1 510 . 1 . 1 43 43 THR HB H 1 4.4236 . . . . . . . A 655 THR HB . 30093 1 511 . 1 . 1 43 43 THR HG21 H 1 1.2148 . . . . . . . A 655 THR HG21 . 30093 1 512 . 1 . 1 43 43 THR HG22 H 1 1.2148 . . . . . . . A 655 THR HG22 . 30093 1 513 . 1 . 1 43 43 THR HG23 H 1 1.2148 . . . . . . . A 655 THR HG23 . 30093 1 514 . 1 . 1 43 43 THR C C 13 171.3969 . . . . . . . A 655 THR C . 30093 1 515 . 1 . 1 43 43 THR CA C 13 60.7817 . . . . . . . A 655 THR CA . 30093 1 516 . 1 . 1 43 43 THR CB C 13 69.724 . . . . . . . A 655 THR CB . 30093 1 517 . 1 . 1 43 43 THR CG2 C 13 21.1721 . . . . . . . A 655 THR CG2 . 30093 1 518 . 1 . 1 43 43 THR N N 15 107.8104 . . . . . . . A 655 THR N . 30093 1 519 . 1 . 1 44 44 PRO HA H 1 4.5573 . . . . . . . A 656 PRO HA . 30093 1 520 . 1 . 1 44 44 PRO HB2 H 1 1.7502 . . . . . . . A 656 PRO HB2 . 30093 1 521 . 1 . 1 44 44 PRO HB3 H 1 2.2132 . . . . . . . A 656 PRO HB3 . 30093 1 522 . 1 . 1 44 44 PRO HG2 H 1 1.6028 . . . . . . . A 656 PRO HG2 . 30093 1 523 . 1 . 1 44 44 PRO HG3 H 1 1.6989 . . . . . . . A 656 PRO HG3 . 30093 1 524 . 1 . 1 44 44 PRO HD2 H 1 3.453 . . . . . . . A 656 PRO HD2 . 30093 1 525 . 1 . 1 44 44 PRO HD3 H 1 3.5692 . . . . . . . A 656 PRO HD3 . 30093 1 526 . 1 . 1 44 44 PRO C C 13 175.653 . . . . . . . A 656 PRO C . 30093 1 527 . 1 . 1 44 44 PRO CA C 13 62.4786 . . . . . . . A 656 PRO CA . 30093 1 528 . 1 . 1 44 44 PRO CB C 13 32.8574 . . . . . . . A 656 PRO CB . 30093 1 529 . 1 . 1 44 44 PRO CG C 13 26.323 . . . . . . . A 656 PRO CG . 30093 1 530 . 1 . 1 44 44 PRO CD C 13 50.0621 . . . . . . . A 656 PRO CD . 30093 1 531 . 1 . 1 45 45 ILE H H 1 8.8002 . . . . . . . A 657 ILE H . 30093 1 532 . 1 . 1 45 45 ILE HA H 1 4.669 . . . . . . . A 657 ILE HA . 30093 1 533 . 1 . 1 45 45 ILE HB H 1 2.1333 . . . . . . . A 657 ILE HB . 30093 1 534 . 1 . 1 45 45 ILE HG12 H 1 1.3697 . . . . . . . A 657 ILE HG12 . 30093 1 535 . 1 . 1 45 45 ILE HG13 H 1 1.3697 . . . . . . . A 657 ILE HG13 . 30093 1 536 . 1 . 1 45 45 ILE HG21 H 1 1.1777 . . . . . . . A 657 ILE HG21 . 30093 1 537 . 1 . 1 45 45 ILE HG22 H 1 1.1777 . . . . . . . A 657 ILE HG22 . 30093 1 538 . 1 . 1 45 45 ILE HG23 H 1 1.1777 . . . . . . . A 657 ILE HG23 . 30093 1 539 . 1 . 1 45 45 ILE HD11 H 1 1.0345 . . . . . . . A 657 ILE HD11 . 30093 1 540 . 1 . 1 45 45 ILE HD12 H 1 1.0345 . . . . . . . A 657 ILE HD12 . 30093 1 541 . 1 . 1 45 45 ILE HD13 H 1 1.0345 . . . . . . . A 657 ILE HD13 . 30093 1 542 . 1 . 1 45 45 ILE C C 13 176.7842 . . . . . . . A 657 ILE C . 30093 1 543 . 1 . 1 45 45 ILE CA C 13 62.027 . . . . . . . A 657 ILE CA . 30093 1 544 . 1 . 1 45 45 ILE CB C 13 38.6249 . . . . . . . A 657 ILE CB . 30093 1 545 . 1 . 1 45 45 ILE CG1 C 13 26.4215 . . . . . . . A 657 ILE CG1 . 30093 1 546 . 1 . 1 45 45 ILE CG2 C 13 18.5159 . . . . . . . A 657 ILE CG2 . 30093 1 547 . 1 . 1 45 45 ILE CD1 C 13 14.853 . . . . . . . A 657 ILE CD1 . 30093 1 548 . 1 . 1 45 45 ILE N N 15 111.2991 . . . . . . . A 657 ILE N . 30093 1 549 . 1 . 1 46 46 ALA H H 1 7.3044 . . . . . . . A 658 ALA H . 30093 1 550 . 1 . 1 46 46 ALA HA H 1 5.3824 . . . . . . . A 658 ALA HA . 30093 1 551 . 1 . 1 46 46 ALA HB1 H 1 1.029 . . . . . . . A 658 ALA HB1 . 30093 1 552 . 1 . 1 46 46 ALA HB2 H 1 1.029 . . . . . . . A 658 ALA HB2 . 30093 1 553 . 1 . 1 46 46 ALA HB3 H 1 1.029 . . . . . . . A 658 ALA HB3 . 30093 1 554 . 1 . 1 46 46 ALA C C 13 174.8843 . . . . . . . A 658 ALA C . 30093 1 555 . 1 . 1 46 46 ALA CA C 13 50.4881 . . . . . . . A 658 ALA CA . 30093 1 556 . 1 . 1 46 46 ALA CB C 13 22.6182 . . . . . . . A 658 ALA CB . 30093 1 557 . 1 . 1 46 46 ALA N N 15 119.3521 . . . . . . . A 658 ALA N . 30093 1 558 . 1 . 1 47 47 VAL H H 1 8.5881 . . . . . . . A 659 VAL H . 30093 1 559 . 1 . 1 47 47 VAL HA H 1 5.034 . . . . . . . A 659 VAL HA . 30093 1 560 . 1 . 1 47 47 VAL HB H 1 1.7473 . . . . . . . A 659 VAL HB . 30093 1 561 . 1 . 1 47 47 VAL HG11 H 1 0.8525 . . . . . . . A 659 VAL HG11 . 30093 1 562 . 1 . 1 47 47 VAL HG12 H 1 0.8525 . . . . . . . A 659 VAL HG12 . 30093 1 563 . 1 . 1 47 47 VAL HG13 H 1 0.8525 . . . . . . . A 659 VAL HG13 . 30093 1 564 . 1 . 1 47 47 VAL HG21 H 1 0.8178 . . . . . . . A 659 VAL HG21 . 30093 1 565 . 1 . 1 47 47 VAL HG22 H 1 0.8178 . . . . . . . A 659 VAL HG22 . 30093 1 566 . 1 . 1 47 47 VAL HG23 H 1 0.8178 . . . . . . . A 659 VAL HG23 . 30093 1 567 . 1 . 1 47 47 VAL C C 13 172.7806 . . . . . . . A 659 VAL C . 30093 1 568 . 1 . 1 47 47 VAL CA C 13 59.5054 . . . . . . . A 659 VAL CA . 30093 1 569 . 1 . 1 47 47 VAL CB C 13 35.2887 . . . . . . . A 659 VAL CB . 30093 1 570 . 1 . 1 47 47 VAL CG1 C 13 22.9255 . . . . . . . A 659 VAL CG1 . 30093 1 571 . 1 . 1 47 47 VAL CG2 C 13 21.5765 . . . . . . . A 659 VAL CG2 . 30093 1 572 . 1 . 1 47 47 VAL N N 15 119.3331 . . . . . . . A 659 VAL N . 30093 1 573 . 1 . 1 48 48 LEU H H 1 9.3615 . . . . . . . A 660 LEU H . 30093 1 574 . 1 . 1 48 48 LEU HA H 1 5.1035 . . . . . . . A 660 LEU HA . 30093 1 575 . 1 . 1 48 48 LEU HB2 H 1 1.3866 . . . . . . . A 660 LEU HB2 . 30093 1 576 . 1 . 1 48 48 LEU HB3 H 1 1.7772 . . . . . . . A 660 LEU HB3 . 30093 1 577 . 1 . 1 48 48 LEU HG H 1 1.5972 . . . . . . . A 660 LEU HG . 30093 1 578 . 1 . 1 48 48 LEU HD11 H 1 0.7104 . . . . . . . A 660 LEU HD11 . 30093 1 579 . 1 . 1 48 48 LEU HD12 H 1 0.7104 . . . . . . . A 660 LEU HD12 . 30093 1 580 . 1 . 1 48 48 LEU HD13 H 1 0.7104 . . . . . . . A 660 LEU HD13 . 30093 1 581 . 1 . 1 48 48 LEU HD21 H 1 0.8397 . . . . . . . A 660 LEU HD21 . 30093 1 582 . 1 . 1 48 48 LEU HD22 H 1 0.8397 . . . . . . . A 660 LEU HD22 . 30093 1 583 . 1 . 1 48 48 LEU HD23 H 1 0.8397 . . . . . . . A 660 LEU HD23 . 30093 1 584 . 1 . 1 48 48 LEU C C 13 174.3585 . . . . . . . A 660 LEU C . 30093 1 585 . 1 . 1 48 48 LEU CA C 13 53.2101 . . . . . . . A 660 LEU CA . 30093 1 586 . 1 . 1 48 48 LEU CB C 13 43.2931 . . . . . . . A 660 LEU CB . 30093 1 587 . 1 . 1 48 48 LEU CG C 13 28.2886 . . . . . . . A 660 LEU CG . 30093 1 588 . 1 . 1 48 48 LEU CD1 C 13 25.7883 . . . . . . . A 660 LEU CD1 . 30093 1 589 . 1 . 1 48 48 LEU CD2 C 13 26.2652 . . . . . . . A 660 LEU CD2 . 30093 1 590 . 1 . 1 48 48 LEU N N 15 128.0574 . . . . . . . A 660 LEU N . 30093 1 591 . 1 . 1 49 49 LEU H H 1 8.8196 . . . . . . . A 661 LEU H . 30093 1 592 . 1 . 1 49 49 LEU HA H 1 4.8902 . . . . . . . A 661 LEU HA . 30093 1 593 . 1 . 1 49 49 LEU HB2 H 1 1.5791 . . . . . . . A 661 LEU HB2 . 30093 1 594 . 1 . 1 49 49 LEU HB3 H 1 2.0058 . . . . . . . A 661 LEU HB3 . 30093 1 595 . 1 . 1 49 49 LEU HG H 1 1.5224 . . . . . . . A 661 LEU HG . 30093 1 596 . 1 . 1 49 49 LEU HD11 H 1 0.7114 . . . . . . . A 661 LEU HD11 . 30093 1 597 . 1 . 1 49 49 LEU HD12 H 1 0.7114 . . . . . . . A 661 LEU HD12 . 30093 1 598 . 1 . 1 49 49 LEU HD13 H 1 0.7114 . . . . . . . A 661 LEU HD13 . 30093 1 599 . 1 . 1 49 49 LEU HD21 H 1 0.5786 . . . . . . . A 661 LEU HD21 . 30093 1 600 . 1 . 1 49 49 LEU HD22 H 1 0.5786 . . . . . . . A 661 LEU HD22 . 30093 1 601 . 1 . 1 49 49 LEU HD23 H 1 0.5786 . . . . . . . A 661 LEU HD23 . 30093 1 602 . 1 . 1 49 49 LEU C C 13 175.0524 . . . . . . . A 661 LEU C . 30093 1 603 . 1 . 1 49 49 LEU CA C 13 53.831 . . . . . . . A 661 LEU CA . 30093 1 604 . 1 . 1 49 49 LEU CB C 13 41.8795 . . . . . . . A 661 LEU CB . 30093 1 605 . 1 . 1 49 49 LEU CG C 13 26.3452 . . . . . . . A 661 LEU CG . 30093 1 606 . 1 . 1 49 49 LEU CD1 C 13 24.5444 . . . . . . . A 661 LEU CD1 . 30093 1 607 . 1 . 1 49 49 LEU CD2 C 13 26.3537 . . . . . . . A 661 LEU CD2 . 30093 1 608 . 1 . 1 49 49 LEU N N 15 124.4391 . . . . . . . A 661 LEU N . 30093 1 609 . 1 . 1 50 50 ALA H H 1 8.3214 . . . . . . . A 662 ALA H . 30093 1 610 . 1 . 1 50 50 ALA HA H 1 5.348 . . . . . . . A 662 ALA HA . 30093 1 611 . 1 . 1 50 50 ALA HB1 H 1 1.4677 . . . . . . . A 662 ALA HB1 . 30093 1 612 . 1 . 1 50 50 ALA HB2 H 1 1.4677 . . . . . . . A 662 ALA HB2 . 30093 1 613 . 1 . 1 50 50 ALA HB3 H 1 1.4677 . . . . . . . A 662 ALA HB3 . 30093 1 614 . 1 . 1 50 50 ALA C C 13 177.3683 . . . . . . . A 662 ALA C . 30093 1 615 . 1 . 1 50 50 ALA CA C 13 50.7032 . . . . . . . A 662 ALA CA . 30093 1 616 . 1 . 1 50 50 ALA CB C 13 21.6832 . . . . . . . A 662 ALA CB . 30093 1 617 . 1 . 1 50 50 ALA N N 15 125.7106 . . . . . . . A 662 ALA N . 30093 1 618 . 1 . 1 51 51 GLU H H 1 7.9969 . . . . . . . A 663 GLU H . 30093 1 619 . 1 . 1 51 51 GLU HA H 1 3.7998 . . . . . . . A 663 GLU HA . 30093 1 620 . 1 . 1 51 51 GLU HB2 H 1 2.0132 . . . . . . . A 663 GLU HB2 . 30093 1 621 . 1 . 1 51 51 GLU HB3 H 1 2.0132 . . . . . . . A 663 GLU HB3 . 30093 1 622 . 1 . 1 51 51 GLU HG2 H 1 2.3309 . . . . . . . A 663 GLU HG2 . 30093 1 623 . 1 . 1 51 51 GLU HG3 H 1 2.3309 . . . . . . . A 663 GLU HG3 . 30093 1 624 . 1 . 1 51 51 GLU C C 13 174.7272 . . . . . . . A 663 GLU C . 30093 1 625 . 1 . 1 51 51 GLU CA C 13 56.0906 . . . . . . . A 663 GLU CA . 30093 1 626 . 1 . 1 51 51 GLU CB C 13 30.2859 . . . . . . . A 663 GLU CB . 30093 1 627 . 1 . 1 51 51 GLU CG C 13 36.1568 . . . . . . . A 663 GLU CG . 30093 1 628 . 1 . 1 51 51 GLU N N 15 122.0855 . . . . . . . A 663 GLU N . 30093 1 629 . 1 . 1 52 52 PRO HA H 1 4.3313 . . . . . . . A 664 PRO HA . 30093 1 630 . 1 . 1 52 52 PRO HB2 H 1 2.0476 . . . . . . . A 664 PRO HB2 . 30093 1 631 . 1 . 1 52 52 PRO HB3 H 1 2.3548 . . . . . . . A 664 PRO HB3 . 30093 1 632 . 1 . 1 52 52 PRO HG2 H 1 1.9379 . . . . . . . A 664 PRO HG2 . 30093 1 633 . 1 . 1 52 52 PRO HG3 H 1 1.9789 . . . . . . . A 664 PRO HG3 . 30093 1 634 . 1 . 1 52 52 PRO HD2 H 1 3.5099 . . . . . . . A 664 PRO HD2 . 30093 1 635 . 1 . 1 52 52 PRO HD3 H 1 3.7489 . . . . . . . A 664 PRO HD3 . 30093 1 636 . 1 . 1 52 52 PRO C C 13 176.5798 . . . . . . . A 664 PRO C . 30093 1 637 . 1 . 1 52 52 PRO CA C 13 61.5008 . . . . . . . A 664 PRO CA . 30093 1 638 . 1 . 1 52 52 PRO CB C 13 34.7861 . . . . . . . A 664 PRO CB . 30093 1 639 . 1 . 1 52 52 PRO CG C 13 24.6396 . . . . . . . A 664 PRO CG . 30093 1 640 . 1 . 1 52 52 PRO CD C 13 50.8077 . . . . . . . A 664 PRO CD . 30093 1 641 . 1 . 1 53 53 PHE H H 1 8.5755 . . . . . . . A 665 PHE H . 30093 1 642 . 1 . 1 53 53 PHE HA H 1 4.6341 . . . . . . . A 665 PHE HA . 30093 1 643 . 1 . 1 53 53 PHE HB2 H 1 2.9499 . . . . . . . A 665 PHE HB2 . 30093 1 644 . 1 . 1 53 53 PHE HB3 H 1 3.1722 . . . . . . . A 665 PHE HB3 . 30093 1 645 . 1 . 1 53 53 PHE C C 13 176.4724 . . . . . . . A 665 PHE C . 30093 1 646 . 1 . 1 53 53 PHE CA C 13 55.39 . . . . . . . A 665 PHE CA . 30093 1 647 . 1 . 1 53 53 PHE CB C 13 36.9837 . . . . . . . A 665 PHE CB . 30093 1 648 . 1 . 1 53 53 PHE N N 15 123.7342 . . . . . . . A 665 PHE N . 30093 1 649 . 1 . 1 54 54 SER H H 1 8.4215 . . . . . . . A 666 SER H . 30093 1 650 . 1 . 1 54 54 SER HA H 1 4.3574 . . . . . . . A 666 SER HA . 30093 1 651 . 1 . 1 54 54 SER HB2 H 1 3.7046 . . . . . . . A 666 SER HB2 . 30093 1 652 . 1 . 1 54 54 SER HB3 H 1 4.0312 . . . . . . . A 666 SER HB3 . 30093 1 653 . 1 . 1 54 54 SER C C 13 174.7622 . . . . . . . A 666 SER C . 30093 1 654 . 1 . 1 54 54 SER CA C 13 58.8384 . . . . . . . A 666 SER CA . 30093 1 655 . 1 . 1 54 54 SER CB C 13 63.4311 . . . . . . . A 666 SER CB . 30093 1 656 . 1 . 1 54 54 SER N N 15 117.2015 . . . . . . . A 666 SER N . 30093 1 657 . 1 . 1 55 55 TYR H H 1 7.1333 . . . . . . . A 667 TYR H . 30093 1 658 . 1 . 1 55 55 TYR HA H 1 4.7685 . . . . . . . A 667 TYR HA . 30093 1 659 . 1 . 1 55 55 TYR HB2 H 1 2.9226 . . . . . . . A 667 TYR HB2 . 30093 1 660 . 1 . 1 55 55 TYR HB3 H 1 3.2028 . . . . . . . A 667 TYR HB3 . 30093 1 661 . 1 . 1 55 55 TYR C C 13 175.2127 . . . . . . . A 667 TYR C . 30093 1 662 . 1 . 1 55 55 TYR CA C 13 55.5666 . . . . . . . A 667 TYR CA . 30093 1 663 . 1 . 1 55 55 TYR CB C 13 37.5419 . . . . . . . A 667 TYR CB . 30093 1 664 . 1 . 1 55 55 TYR N N 15 117.9786 . . . . . . . A 667 TYR N . 30093 1 665 . 1 . 1 56 56 GLY H H 1 7.3745 . . . . . . . A 668 GLY H . 30093 1 666 . 1 . 1 56 56 GLY HA2 H 1 3.7626 . . . . . . . A 668 GLY HA2 . 30093 1 667 . 1 . 1 56 56 GLY HA3 H 1 4.2461 . . . . . . . A 668 GLY HA3 . 30093 1 668 . 1 . 1 56 56 GLY C C 13 171.8547 . . . . . . . A 668 GLY C . 30093 1 669 . 1 . 1 56 56 GLY CA C 13 44.5887 . . . . . . . A 668 GLY CA . 30093 1 670 . 1 . 1 56 56 GLY N N 15 109.0834 . . . . . . . A 668 GLY N . 30093 1 671 . 1 . 1 57 57 ASP H H 1 8.0879 . . . . . . . A 669 ASP H . 30093 1 672 . 1 . 1 57 57 ASP HA H 1 4.5988 . . . . . . . A 669 ASP HA . 30093 1 673 . 1 . 1 57 57 ASP HB2 H 1 2.587 . . . . . . . A 669 ASP HB2 . 30093 1 674 . 1 . 1 57 57 ASP HB3 H 1 2.7646 . . . . . . . A 669 ASP HB3 . 30093 1 675 . 1 . 1 57 57 ASP C C 13 177.3962 . . . . . . . A 669 ASP C . 30093 1 676 . 1 . 1 57 57 ASP CA C 13 53.9995 . . . . . . . A 669 ASP CA . 30093 1 677 . 1 . 1 57 57 ASP CB C 13 42.3325 . . . . . . . A 669 ASP CB . 30093 1 678 . 1 . 1 57 57 ASP N N 15 119.5702 . . . . . . . A 669 ASP N . 30093 1 679 . 1 . 1 58 58 VAL H H 1 8.179 . . . . . . . A 670 VAL H . 30093 1 680 . 1 . 1 58 58 VAL HA H 1 3.3174 . . . . . . . A 670 VAL HA . 30093 1 681 . 1 . 1 58 58 VAL HB H 1 1.1825 . . . . . . . A 670 VAL HB . 30093 1 682 . 1 . 1 58 58 VAL HG11 H 1 -0.0919 . . . . . . . A 670 VAL HG11 . 30093 1 683 . 1 . 1 58 58 VAL HG12 H 1 -0.0919 . . . . . . . A 670 VAL HG12 . 30093 1 684 . 1 . 1 58 58 VAL HG13 H 1 -0.0919 . . . . . . . A 670 VAL HG13 . 30093 1 685 . 1 . 1 58 58 VAL HG21 H 1 0.2315 . . . . . . . A 670 VAL HG21 . 30093 1 686 . 1 . 1 58 58 VAL HG22 H 1 0.2315 . . . . . . . A 670 VAL HG22 . 30093 1 687 . 1 . 1 58 58 VAL HG23 H 1 0.2315 . . . . . . . A 670 VAL HG23 . 30093 1 688 . 1 . 1 58 58 VAL C C 13 176.2765 . . . . . . . A 670 VAL C . 30093 1 689 . 1 . 1 58 58 VAL CA C 13 66.1066 . . . . . . . A 670 VAL CA . 30093 1 690 . 1 . 1 58 58 VAL CB C 13 31.6944 . . . . . . . A 670 VAL CB . 30093 1 691 . 1 . 1 58 58 VAL CG1 C 13 19.9974 . . . . . . . A 670 VAL CG1 . 30093 1 692 . 1 . 1 58 58 VAL CG2 C 13 22.5866 . . . . . . . A 670 VAL CG2 . 30093 1 693 . 1 . 1 58 58 VAL N N 15 127.8415 . . . . . . . A 670 VAL N . 30093 1 694 . 1 . 1 59 59 GLN H H 1 8.0869 . . . . . . . A 671 GLN H . 30093 1 695 . 1 . 1 59 59 GLN HA H 1 3.8205 . . . . . . . A 671 GLN HA . 30093 1 696 . 1 . 1 59 59 GLN HB2 H 1 2.1751 . . . . . . . A 671 GLN HB2 . 30093 1 697 . 1 . 1 59 59 GLN HB3 H 1 2.2889 . . . . . . . A 671 GLN HB3 . 30093 1 698 . 1 . 1 59 59 GLN HG2 H 1 2.4361 . . . . . . . A 671 GLN HG2 . 30093 1 699 . 1 . 1 59 59 GLN HG3 H 1 2.4361 . . . . . . . A 671 GLN HG3 . 30093 1 700 . 1 . 1 59 59 GLN C C 13 177.8576 . . . . . . . A 671 GLN C . 30093 1 701 . 1 . 1 59 59 GLN CA C 13 58.0162 . . . . . . . A 671 GLN CA . 30093 1 702 . 1 . 1 59 59 GLN CB C 13 29.1526 . . . . . . . A 671 GLN CB . 30093 1 703 . 1 . 1 59 59 GLN CG C 13 34.3559 . . . . . . . A 671 GLN CG . 30093 1 704 . 1 . 1 59 59 GLN N N 15 119.5436 . . . . . . . A 671 GLN N . 30093 1 705 . 1 . 1 60 60 GLU H H 1 7.9149 . . . . . . . A 672 GLU H . 30093 1 706 . 1 . 1 60 60 GLU HA H 1 4.0991 . . . . . . . A 672 GLU HA . 30093 1 707 . 1 . 1 60 60 GLU HB2 H 1 2.0883 . . . . . . . A 672 GLU HB2 . 30093 1 708 . 1 . 1 60 60 GLU HB3 H 1 2.0883 . . . . . . . A 672 GLU HB3 . 30093 1 709 . 1 . 1 60 60 GLU HG2 H 1 2.2734 . . . . . . . A 672 GLU HG2 . 30093 1 710 . 1 . 1 60 60 GLU HG3 H 1 2.3829 . . . . . . . A 672 GLU HG3 . 30093 1 711 . 1 . 1 60 60 GLU C C 13 178.6681 . . . . . . . A 672 GLU C . 30093 1 712 . 1 . 1 60 60 GLU CA C 13 59.2771 . . . . . . . A 672 GLU CA . 30093 1 713 . 1 . 1 60 60 GLU CB C 13 29.6476 . . . . . . . A 672 GLU CB . 30093 1 714 . 1 . 1 60 60 GLU CG C 13 36.3171 . . . . . . . A 672 GLU CG . 30093 1 715 . 1 . 1 60 60 GLU N N 15 119.1235 . . . . . . . A 672 GLU N . 30093 1 716 . 1 . 1 61 61 LEU H H 1 7.4855 . . . . . . . A 673 LEU H . 30093 1 717 . 1 . 1 61 61 LEU HA H 1 4.0376 . . . . . . . A 673 LEU HA . 30093 1 718 . 1 . 1 61 61 LEU HB2 H 1 1.6554 . . . . . . . A 673 LEU HB2 . 30093 1 719 . 1 . 1 61 61 LEU HB3 H 1 1.6993 . . . . . . . A 673 LEU HB3 . 30093 1 720 . 1 . 1 61 61 LEU HG H 1 1.5618 . . . . . . . A 673 LEU HG . 30093 1 721 . 1 . 1 61 61 LEU HD11 H 1 0.793 . . . . . . . A 673 LEU HD11 . 30093 1 722 . 1 . 1 61 61 LEU HD12 H 1 0.793 . . . . . . . A 673 LEU HD12 . 30093 1 723 . 1 . 1 61 61 LEU HD13 H 1 0.793 . . . . . . . A 673 LEU HD13 . 30093 1 724 . 1 . 1 61 61 LEU HD21 H 1 0.836 . . . . . . . A 673 LEU HD21 . 30093 1 725 . 1 . 1 61 61 LEU HD22 H 1 0.836 . . . . . . . A 673 LEU HD22 . 30093 1 726 . 1 . 1 61 61 LEU HD23 H 1 0.836 . . . . . . . A 673 LEU HD23 . 30093 1 727 . 1 . 1 61 61 LEU C C 13 178.6133 . . . . . . . A 673 LEU C . 30093 1 728 . 1 . 1 61 61 LEU CA C 13 58.5384 . . . . . . . A 673 LEU CA . 30093 1 729 . 1 . 1 61 61 LEU CB C 13 41.9048 . . . . . . . A 673 LEU CB . 30093 1 730 . 1 . 1 61 61 LEU CG C 13 27.4542 . . . . . . . A 673 LEU CG . 30093 1 731 . 1 . 1 61 61 LEU CD1 C 13 25.4707 . . . . . . . A 673 LEU CD1 . 30093 1 732 . 1 . 1 61 61 LEU CD2 C 13 24.4244 . . . . . . . A 673 LEU CD2 . 30093 1 733 . 1 . 1 61 61 LEU N N 15 120.6223 . . . . . . . A 673 LEU N . 30093 1 734 . 1 . 1 62 62 VAL H H 1 8.3158 . . . . . . . A 674 VAL H . 30093 1 735 . 1 . 1 62 62 VAL HA H 1 3.2472 . . . . . . . A 674 VAL HA . 30093 1 736 . 1 . 1 62 62 VAL HB H 1 2.0647 . . . . . . . A 674 VAL HB . 30093 1 737 . 1 . 1 62 62 VAL HG11 H 1 0.9142 . . . . . . . A 674 VAL HG11 . 30093 1 738 . 1 . 1 62 62 VAL HG12 H 1 0.9142 . . . . . . . A 674 VAL HG12 . 30093 1 739 . 1 . 1 62 62 VAL HG13 H 1 0.9142 . . . . . . . A 674 VAL HG13 . 30093 1 740 . 1 . 1 62 62 VAL HG21 H 1 0.7062 . . . . . . . A 674 VAL HG21 . 30093 1 741 . 1 . 1 62 62 VAL HG22 H 1 0.7062 . . . . . . . A 674 VAL HG22 . 30093 1 742 . 1 . 1 62 62 VAL HG23 H 1 0.7062 . . . . . . . A 674 VAL HG23 . 30093 1 743 . 1 . 1 62 62 VAL C C 13 177.6421 . . . . . . . A 674 VAL C . 30093 1 744 . 1 . 1 62 62 VAL CA C 13 67.6647 . . . . . . . A 674 VAL CA . 30093 1 745 . 1 . 1 62 62 VAL CB C 13 31.4833 . . . . . . . A 674 VAL CB . 30093 1 746 . 1 . 1 62 62 VAL CG1 C 13 21.6864 . . . . . . . A 674 VAL CG1 . 30093 1 747 . 1 . 1 62 62 VAL CG2 C 13 23.5533 . . . . . . . A 674 VAL CG2 . 30093 1 748 . 1 . 1 62 62 VAL N N 15 119.0215 . . . . . . . A 674 VAL N . 30093 1 749 . 1 . 1 63 63 ASP H H 1 8.7615 . . . . . . . A 675 ASP H . 30093 1 750 . 1 . 1 63 63 ASP HA H 1 4.2765 . . . . . . . A 675 ASP HA . 30093 1 751 . 1 . 1 63 63 ASP HB2 H 1 2.5886 . . . . . . . A 675 ASP HB2 . 30093 1 752 . 1 . 1 63 63 ASP HB3 H 1 2.915 . . . . . . . A 675 ASP HB3 . 30093 1 753 . 1 . 1 63 63 ASP C C 13 179.9491 . . . . . . . A 675 ASP C . 30093 1 754 . 1 . 1 63 63 ASP CA C 13 57.6686 . . . . . . . A 675 ASP CA . 30093 1 755 . 1 . 1 63 63 ASP CB C 13 40.1193 . . . . . . . A 675 ASP CB . 30093 1 756 . 1 . 1 63 63 ASP N N 15 119.4032 . . . . . . . A 675 ASP N . 30093 1 757 . 1 . 1 64 64 GLN H H 1 8.0818 . . . . . . . A 676 GLN H . 30093 1 758 . 1 . 1 64 64 GLN HA H 1 3.9613 . . . . . . . A 676 GLN HA . 30093 1 759 . 1 . 1 64 64 GLN HB2 H 1 2.0546 . . . . . . . A 676 GLN HB2 . 30093 1 760 . 1 . 1 64 64 GLN HB3 H 1 2.3176 . . . . . . . A 676 GLN HB3 . 30093 1 761 . 1 . 1 64 64 GLN HG2 H 1 2.4594 . . . . . . . A 676 GLN HG2 . 30093 1 762 . 1 . 1 64 64 GLN HG3 H 1 2.7083 . . . . . . . A 676 GLN HG3 . 30093 1 763 . 1 . 1 64 64 GLN C C 13 179.826 . . . . . . . A 676 GLN C . 30093 1 764 . 1 . 1 64 64 GLN CA C 13 59.2674 . . . . . . . A 676 GLN CA . 30093 1 765 . 1 . 1 64 64 GLN CB C 13 29.2615 . . . . . . . A 676 GLN CB . 30093 1 766 . 1 . 1 64 64 GLN CG C 13 34.5742 . . . . . . . A 676 GLN CG . 30093 1 767 . 1 . 1 64 64 GLN N N 15 118.4354 . . . . . . . A 676 GLN N . 30093 1 768 . 1 . 1 65 65 LEU H H 1 8.2467 . . . . . . . A 677 LEU H . 30093 1 769 . 1 . 1 65 65 LEU HA H 1 3.9686 . . . . . . . A 677 LEU HA . 30093 1 770 . 1 . 1 65 65 LEU HB2 H 1 1.096 . . . . . . . A 677 LEU HB2 . 30093 1 771 . 1 . 1 65 65 LEU HB3 H 1 2.1346 . . . . . . . A 677 LEU HB3 . 30093 1 772 . 1 . 1 65 65 LEU HG H 1 1.9628 . . . . . . . A 677 LEU HG . 30093 1 773 . 1 . 1 65 65 LEU HD11 H 1 0.759 . . . . . . . A 677 LEU HD11 . 30093 1 774 . 1 . 1 65 65 LEU HD12 H 1 0.759 . . . . . . . A 677 LEU HD12 . 30093 1 775 . 1 . 1 65 65 LEU HD13 H 1 0.759 . . . . . . . A 677 LEU HD13 . 30093 1 776 . 1 . 1 65 65 LEU HD21 H 1 0.719 . . . . . . . A 677 LEU HD21 . 30093 1 777 . 1 . 1 65 65 LEU HD22 H 1 0.719 . . . . . . . A 677 LEU HD22 . 30093 1 778 . 1 . 1 65 65 LEU HD23 H 1 0.719 . . . . . . . A 677 LEU HD23 . 30093 1 779 . 1 . 1 65 65 LEU C C 13 179.7332 . . . . . . . A 677 LEU C . 30093 1 780 . 1 . 1 65 65 LEU CA C 13 58.3822 . . . . . . . A 677 LEU CA . 30093 1 781 . 1 . 1 65 65 LEU CB C 13 41.971 . . . . . . . A 677 LEU CB . 30093 1 782 . 1 . 1 65 65 LEU CG C 13 26.346 . . . . . . . A 677 LEU CG . 30093 1 783 . 1 . 1 65 65 LEU CD1 C 13 23.6331 . . . . . . . A 677 LEU CD1 . 30093 1 784 . 1 . 1 65 65 LEU CD2 C 13 25.6184 . . . . . . . A 677 LEU CD2 . 30093 1 785 . 1 . 1 65 65 LEU N N 15 119.86 . . . . . . . A 677 LEU N . 30093 1 786 . 1 . 1 66 66 ARG H H 1 8.8249 . . . . . . . A 678 ARG H . 30093 1 787 . 1 . 1 66 66 ARG HA H 1 4.5653 . . . . . . . A 678 ARG HA . 30093 1 788 . 1 . 1 66 66 ARG HB2 H 1 1.7852 . . . . . . . A 678 ARG HB2 . 30093 1 789 . 1 . 1 66 66 ARG HB3 H 1 2.1337 . . . . . . . A 678 ARG HB3 . 30093 1 790 . 1 . 1 66 66 ARG HG2 H 1 1.5591 . . . . . . . A 678 ARG HG2 . 30093 1 791 . 1 . 1 66 66 ARG HG3 H 1 1.8197 . . . . . . . A 678 ARG HG3 . 30093 1 792 . 1 . 1 66 66 ARG HD2 H 1 3.271 . . . . . . . A 678 ARG HD2 . 30093 1 793 . 1 . 1 66 66 ARG HD3 H 1 3.3824 . . . . . . . A 678 ARG HD3 . 30093 1 794 . 1 . 1 66 66 ARG C C 13 177.9861 . . . . . . . A 678 ARG C . 30093 1 795 . 1 . 1 66 66 ARG CA C 13 56.3767 . . . . . . . A 678 ARG CA . 30093 1 796 . 1 . 1 66 66 ARG CB C 13 29.4221 . . . . . . . A 678 ARG CB . 30093 1 797 . 1 . 1 66 66 ARG CG C 13 28.0641 . . . . . . . A 678 ARG CG . 30093 1 798 . 1 . 1 66 66 ARG CD C 13 42.7614 . . . . . . . A 678 ARG CD . 30093 1 799 . 1 . 1 66 66 ARG N N 15 117.7378 . . . . . . . A 678 ARG N . 30093 1 800 . 1 . 1 67 67 GLN H H 1 7.6595 . . . . . . . A 679 GLN H . 30093 1 801 . 1 . 1 67 67 GLN HA H 1 4.1433 . . . . . . . A 679 GLN HA . 30093 1 802 . 1 . 1 67 67 GLN HB2 H 1 2.1563 . . . . . . . A 679 GLN HB2 . 30093 1 803 . 1 . 1 67 67 GLN HB3 H 1 2.1563 . . . . . . . A 679 GLN HB3 . 30093 1 804 . 1 . 1 67 67 GLN HG2 H 1 2.4621 . . . . . . . A 679 GLN HG2 . 30093 1 805 . 1 . 1 67 67 GLN HG3 H 1 2.5923 . . . . . . . A 679 GLN HG3 . 30093 1 806 . 1 . 1 67 67 GLN C C 13 177.1588 . . . . . . . A 679 GLN C . 30093 1 807 . 1 . 1 67 67 GLN CA C 13 57.753 . . . . . . . A 679 GLN CA . 30093 1 808 . 1 . 1 67 67 GLN CB C 13 28.8742 . . . . . . . A 679 GLN CB . 30093 1 809 . 1 . 1 67 67 GLN CG C 13 34.1981 . . . . . . . A 679 GLN CG . 30093 1 810 . 1 . 1 67 67 GLN N N 15 117.905 . . . . . . . A 679 GLN N . 30093 1 811 . 1 . 1 68 68 ARG H H 1 7.221 . . . . . . . A 680 ARG H . 30093 1 812 . 1 . 1 68 68 ARG HA H 1 4.4749 . . . . . . . A 680 ARG HA . 30093 1 813 . 1 . 1 68 68 ARG HB2 H 1 1.8157 . . . . . . . A 680 ARG HB2 . 30093 1 814 . 1 . 1 68 68 ARG HB3 H 1 2.0776 . . . . . . . A 680 ARG HB3 . 30093 1 815 . 1 . 1 68 68 ARG HG2 H 1 1.7129 . . . . . . . A 680 ARG HG2 . 30093 1 816 . 1 . 1 68 68 ARG HG3 H 1 1.7129 . . . . . . . A 680 ARG HG3 . 30093 1 817 . 1 . 1 68 68 ARG HD2 H 1 3.1449 . . . . . . . A 680 ARG HD2 . 30093 1 818 . 1 . 1 68 68 ARG HD3 H 1 3.1449 . . . . . . . A 680 ARG HD3 . 30093 1 819 . 1 . 1 68 68 ARG C C 13 176.6319 . . . . . . . A 680 ARG C . 30093 1 820 . 1 . 1 68 68 ARG CA C 13 56.4359 . . . . . . . A 680 ARG CA . 30093 1 821 . 1 . 1 68 68 ARG CB C 13 32.9071 . . . . . . . A 680 ARG CB . 30093 1 822 . 1 . 1 68 68 ARG CG C 13 27.3904 . . . . . . . A 680 ARG CG . 30093 1 823 . 1 . 1 68 68 ARG CD C 13 42.8726 . . . . . . . A 680 ARG CD . 30093 1 824 . 1 . 1 68 68 ARG N N 15 115.3718 . . . . . . . A 680 ARG N . 30093 1 825 . 1 . 1 69 69 CYS H H 1 8.311 . . . . . . . A 681 CYS H . 30093 1 826 . 1 . 1 69 69 CYS HA H 1 5.0105 . . . . . . . A 681 CYS HA . 30093 1 827 . 1 . 1 69 69 CYS HB2 H 1 2.503 . . . . . . . A 681 CYS HB2 . 30093 1 828 . 1 . 1 69 69 CYS HB3 H 1 2.7702 . . . . . . . A 681 CYS HB3 . 30093 1 829 . 1 . 1 69 69 CYS C C 13 174.5227 . . . . . . . A 681 CYS C . 30093 1 830 . 1 . 1 69 69 CYS CA C 13 57.1064 . . . . . . . A 681 CYS CA . 30093 1 831 . 1 . 1 69 69 CYS CB C 13 32.1314 . . . . . . . A 681 CYS CB . 30093 1 832 . 1 . 1 69 69 CYS N N 15 117.1 . . . . . . . A 681 CYS N . 30093 1 833 . 1 . 1 70 70 THR H H 1 8.5411 . . . . . . . A 682 THR H . 30093 1 834 . 1 . 1 70 70 THR HA H 1 4.8299 . . . . . . . A 682 THR HA . 30093 1 835 . 1 . 1 70 70 THR HB H 1 4.7699 . . . . . . . A 682 THR HB . 30093 1 836 . 1 . 1 70 70 THR HG21 H 1 1.3524 . . . . . . . A 682 THR HG21 . 30093 1 837 . 1 . 1 70 70 THR HG22 H 1 1.3524 . . . . . . . A 682 THR HG22 . 30093 1 838 . 1 . 1 70 70 THR HG23 H 1 1.3524 . . . . . . . A 682 THR HG23 . 30093 1 839 . 1 . 1 70 70 THR C C 13 174.9657 . . . . . . . A 682 THR C . 30093 1 840 . 1 . 1 70 70 THR CA C 13 60.5625 . . . . . . . A 682 THR CA . 30093 1 841 . 1 . 1 70 70 THR CB C 13 68.105 . . . . . . . A 682 THR CB . 30093 1 842 . 1 . 1 70 70 THR CG2 C 13 21.8013 . . . . . . . A 682 THR CG2 . 30093 1 843 . 1 . 1 70 70 THR N N 15 116.568 . . . . . . . A 682 THR N . 30093 1 844 . 1 . 1 71 71 PRO HA H 1 4.4961 . . . . . . . A 683 PRO HA . 30093 1 845 . 1 . 1 71 71 PRO HB2 H 1 1.8606 . . . . . . . A 683 PRO HB2 . 30093 1 846 . 1 . 1 71 71 PRO HB3 H 1 2.6808 . . . . . . . A 683 PRO HB3 . 30093 1 847 . 1 . 1 71 71 PRO HG2 H 1 1.8797 . . . . . . . A 683 PRO HG2 . 30093 1 848 . 1 . 1 71 71 PRO HG3 H 1 2.2125 . . . . . . . A 683 PRO HG3 . 30093 1 849 . 1 . 1 71 71 PRO HD2 H 1 3.8979 . . . . . . . A 683 PRO HD2 . 30093 1 850 . 1 . 1 71 71 PRO HD3 H 1 3.8979 . . . . . . . A 683 PRO HD3 . 30093 1 851 . 1 . 1 71 71 PRO C C 13 177.3003 . . . . . . . A 683 PRO C . 30093 1 852 . 1 . 1 71 71 PRO CA C 13 64.9939 . . . . . . . A 683 PRO CA . 30093 1 853 . 1 . 1 71 71 PRO CB C 13 31.3976 . . . . . . . A 683 PRO CB . 30093 1 854 . 1 . 1 71 71 PRO CG C 13 28.395 . . . . . . . A 683 PRO CG . 30093 1 855 . 1 . 1 71 71 PRO CD C 13 51.0097 . . . . . . . A 683 PRO CD . 30093 1 856 . 1 . 1 72 72 GLU H H 1 7.8751 . . . . . . . A 684 GLU H . 30093 1 857 . 1 . 1 72 72 GLU HA H 1 4.0473 . . . . . . . A 684 GLU HA . 30093 1 858 . 1 . 1 72 72 GLU HB2 H 1 1.9492 . . . . . . . A 684 GLU HB2 . 30093 1 859 . 1 . 1 72 72 GLU HB3 H 1 1.9855 . . . . . . . A 684 GLU HB3 . 30093 1 860 . 1 . 1 72 72 GLU HG2 H 1 2.2425 . . . . . . . A 684 GLU HG2 . 30093 1 861 . 1 . 1 72 72 GLU HG3 H 1 2.3424 . . . . . . . A 684 GLU HG3 . 30093 1 862 . 1 . 1 72 72 GLU C C 13 177.1898 . . . . . . . A 684 GLU C . 30093 1 863 . 1 . 1 72 72 GLU CA C 13 58.6373 . . . . . . . A 684 GLU CA . 30093 1 864 . 1 . 1 72 72 GLU CB C 13 29.4515 . . . . . . . A 684 GLU CB . 30093 1 865 . 1 . 1 72 72 GLU CG C 13 37.084 . . . . . . . A 684 GLU CG . 30093 1 866 . 1 . 1 72 72 GLU N N 15 114.125 . . . . . . . A 684 GLU N . 30093 1 867 . 1 . 1 73 73 GLN H H 1 7.505 . . . . . . . A 685 GLN H . 30093 1 868 . 1 . 1 73 73 GLN HA H 1 4.2526 . . . . . . . A 685 GLN HA . 30093 1 869 . 1 . 1 73 73 GLN HB2 H 1 2.0561 . . . . . . . A 685 GLN HB2 . 30093 1 870 . 1 . 1 73 73 GLN HB3 H 1 2.1642 . . . . . . . A 685 GLN HB3 . 30093 1 871 . 1 . 1 73 73 GLN HG2 H 1 2.4066 . . . . . . . A 685 GLN HG2 . 30093 1 872 . 1 . 1 73 73 GLN HG3 H 1 2.4066 . . . . . . . A 685 GLN HG3 . 30093 1 873 . 1 . 1 73 73 GLN C C 13 175.6059 . . . . . . . A 685 GLN C . 30093 1 874 . 1 . 1 73 73 GLN CA C 13 56.6604 . . . . . . . A 685 GLN CA . 30093 1 875 . 1 . 1 73 73 GLN CB C 13 30.7847 . . . . . . . A 685 GLN CB . 30093 1 876 . 1 . 1 73 73 GLN CG C 13 34.327 . . . . . . . A 685 GLN CG . 30093 1 877 . 1 . 1 73 73 GLN N N 15 116.878 . . . . . . . A 685 GLN N . 30093 1 878 . 1 . 1 74 74 LEU H H 1 7.7859 . . . . . . . A 686 LEU H . 30093 1 879 . 1 . 1 74 74 LEU HA H 1 4.4625 . . . . . . . A 686 LEU HA . 30093 1 880 . 1 . 1 74 74 LEU HB2 H 1 1.3189 . . . . . . . A 686 LEU HB2 . 30093 1 881 . 1 . 1 74 74 LEU HB3 H 1 1.3933 . . . . . . . A 686 LEU HB3 . 30093 1 882 . 1 . 1 74 74 LEU HG H 1 1.1875 . . . . . . . A 686 LEU HG . 30093 1 883 . 1 . 1 74 74 LEU HD11 H 1 0.6631 . . . . . . . A 686 LEU HD11 . 30093 1 884 . 1 . 1 74 74 LEU HD12 H 1 0.6631 . . . . . . . A 686 LEU HD12 . 30093 1 885 . 1 . 1 74 74 LEU HD13 H 1 0.6631 . . . . . . . A 686 LEU HD13 . 30093 1 886 . 1 . 1 74 74 LEU HD21 H 1 0.6488 . . . . . . . A 686 LEU HD21 . 30093 1 887 . 1 . 1 74 74 LEU HD22 H 1 0.6488 . . . . . . . A 686 LEU HD22 . 30093 1 888 . 1 . 1 74 74 LEU HD23 H 1 0.6488 . . . . . . . A 686 LEU HD23 . 30093 1 889 . 1 . 1 74 74 LEU C C 13 174.7713 . . . . . . . A 686 LEU C . 30093 1 890 . 1 . 1 74 74 LEU CA C 13 54.7255 . . . . . . . A 686 LEU CA . 30093 1 891 . 1 . 1 74 74 LEU CB C 13 45.743 . . . . . . . A 686 LEU CB . 30093 1 892 . 1 . 1 74 74 LEU CG C 13 27.116 . . . . . . . A 686 LEU CG . 30093 1 893 . 1 . 1 74 74 LEU CD1 C 13 24.2802 . . . . . . . A 686 LEU CD1 . 30093 1 894 . 1 . 1 74 74 LEU CD2 C 13 26.7247 . . . . . . . A 686 LEU CD2 . 30093 1 895 . 1 . 1 74 74 LEU N N 15 119.3369 . . . . . . . A 686 LEU N . 30093 1 896 . 1 . 1 75 75 LYS H H 1 7.7574 . . . . . . . A 687 LYS H . 30093 1 897 . 1 . 1 75 75 LYS HA H 1 4.9306 . . . . . . . A 687 LYS HA . 30093 1 898 . 1 . 1 75 75 LYS HB2 H 1 1.2731 . . . . . . . A 687 LYS HB2 . 30093 1 899 . 1 . 1 75 75 LYS HB3 H 1 1.5603 . . . . . . . A 687 LYS HB3 . 30093 1 900 . 1 . 1 75 75 LYS HG2 H 1 1.5566 . . . . . . . A 687 LYS HG2 . 30093 1 901 . 1 . 1 75 75 LYS HG3 H 1 1.5566 . . . . . . . A 687 LYS HG3 . 30093 1 902 . 1 . 1 75 75 LYS HD2 H 1 1.515 . . . . . . . A 687 LYS HD2 . 30093 1 903 . 1 . 1 75 75 LYS HD3 H 1 1.773 . . . . . . . A 687 LYS HD3 . 30093 1 904 . 1 . 1 75 75 LYS HE2 H 1 2.9871 . . . . . . . A 687 LYS HE2 . 30093 1 905 . 1 . 1 75 75 LYS HE3 H 1 3.0835 . . . . . . . A 687 LYS HE3 . 30093 1 906 . 1 . 1 75 75 LYS C C 13 175.7219 . . . . . . . A 687 LYS C . 30093 1 907 . 1 . 1 75 75 LYS CA C 13 53.3376 . . . . . . . A 687 LYS CA . 30093 1 908 . 1 . 1 75 75 LYS CB C 13 33.9356 . . . . . . . A 687 LYS CB . 30093 1 909 . 1 . 1 75 75 LYS CG C 13 24.7259 . . . . . . . A 687 LYS CG . 30093 1 910 . 1 . 1 75 75 LYS CD C 13 28.0298 . . . . . . . A 687 LYS CD . 30093 1 911 . 1 . 1 75 75 LYS CE C 13 42.5956 . . . . . . . A 687 LYS CE . 30093 1 912 . 1 . 1 75 75 LYS N N 15 126.8861 . . . . . . . A 687 LYS N . 30093 1 913 . 1 . 1 76 76 ILE H H 1 10.094 . . . . . . . A 688 ILE H . 30093 1 914 . 1 . 1 76 76 ILE HA H 1 4.6182 . . . . . . . A 688 ILE HA . 30093 1 915 . 1 . 1 76 76 ILE HB H 1 1.6427 . . . . . . . A 688 ILE HB . 30093 1 916 . 1 . 1 76 76 ILE HG12 H 1 0.5847 . . . . . . . A 688 ILE HG12 . 30093 1 917 . 1 . 1 76 76 ILE HG13 H 1 1.4914 . . . . . . . A 688 ILE HG13 . 30093 1 918 . 1 . 1 76 76 ILE HG21 H 1 0.6819 . . . . . . . A 688 ILE HG21 . 30093 1 919 . 1 . 1 76 76 ILE HG22 H 1 0.6819 . . . . . . . A 688 ILE HG22 . 30093 1 920 . 1 . 1 76 76 ILE HG23 H 1 0.6819 . . . . . . . A 688 ILE HG23 . 30093 1 921 . 1 . 1 76 76 ILE HD11 H 1 0.7626 . . . . . . . A 688 ILE HD11 . 30093 1 922 . 1 . 1 76 76 ILE HD12 H 1 0.7626 . . . . . . . A 688 ILE HD12 . 30093 1 923 . 1 . 1 76 76 ILE HD13 H 1 0.7626 . . . . . . . A 688 ILE HD13 . 30093 1 924 . 1 . 1 76 76 ILE C C 13 174.7846 . . . . . . . A 688 ILE C . 30093 1 925 . 1 . 1 76 76 ILE CA C 13 60.8527 . . . . . . . A 688 ILE CA . 30093 1 926 . 1 . 1 76 76 ILE CB C 13 40.4395 . . . . . . . A 688 ILE CB . 30093 1 927 . 1 . 1 76 76 ILE CG1 C 13 27.8392 . . . . . . . A 688 ILE CG1 . 30093 1 928 . 1 . 1 76 76 ILE CG2 C 13 17.5215 . . . . . . . A 688 ILE CG2 . 30093 1 929 . 1 . 1 76 76 ILE CD1 C 13 15.2479 . . . . . . . A 688 ILE CD1 . 30093 1 930 . 1 . 1 76 76 ILE N N 15 122.9776 . . . . . . . A 688 ILE N . 30093 1 931 . 1 . 1 77 77 PHE H H 1 9.1334 . . . . . . . A 689 PHE H . 30093 1 932 . 1 . 1 77 77 PHE HA H 1 5.6964 . . . . . . . A 689 PHE HA . 30093 1 933 . 1 . 1 77 77 PHE HB2 H 1 2.7006 . . . . . . . A 689 PHE HB2 . 30093 1 934 . 1 . 1 77 77 PHE HB3 H 1 3.0109 . . . . . . . A 689 PHE HB3 . 30093 1 935 . 1 . 1 77 77 PHE C C 13 175.042 . . . . . . . A 689 PHE C . 30093 1 936 . 1 . 1 77 77 PHE CA C 13 52.8969 . . . . . . . A 689 PHE CA . 30093 1 937 . 1 . 1 77 77 PHE CB C 13 41.3709 . . . . . . . A 689 PHE CB . 30093 1 938 . 1 . 1 77 77 PHE N N 15 126.6465 . . . . . . . A 689 PHE N . 30093 1 939 . 1 . 1 78 78 ILE H H 1 8.1533 . . . . . . . A 690 ILE H . 30093 1 940 . 1 . 1 78 78 ILE HA H 1 5.0399 . . . . . . . A 690 ILE HA . 30093 1 941 . 1 . 1 78 78 ILE HB H 1 1.7418 . . . . . . . A 690 ILE HB . 30093 1 942 . 1 . 1 78 78 ILE HG12 H 1 1.277 . . . . . . . A 690 ILE HG12 . 30093 1 943 . 1 . 1 78 78 ILE HG13 H 1 1.3419 . . . . . . . A 690 ILE HG13 . 30093 1 944 . 1 . 1 78 78 ILE HG21 H 1 1.1943 . . . . . . . A 690 ILE HG21 . 30093 1 945 . 1 . 1 78 78 ILE HG22 H 1 1.1943 . . . . . . . A 690 ILE HG22 . 30093 1 946 . 1 . 1 78 78 ILE HG23 H 1 1.1943 . . . . . . . A 690 ILE HG23 . 30093 1 947 . 1 . 1 78 78 ILE HD11 H 1 0.6465 . . . . . . . A 690 ILE HD11 . 30093 1 948 . 1 . 1 78 78 ILE HD12 H 1 0.6465 . . . . . . . A 690 ILE HD12 . 30093 1 949 . 1 . 1 78 78 ILE HD13 H 1 0.6465 . . . . . . . A 690 ILE HD13 . 30093 1 950 . 1 . 1 78 78 ILE C C 13 174.8408 . . . . . . . A 690 ILE C . 30093 1 951 . 1 . 1 78 78 ILE CA C 13 58.4941 . . . . . . . A 690 ILE CA . 30093 1 952 . 1 . 1 78 78 ILE CB C 13 38.8441 . . . . . . . A 690 ILE CB . 30093 1 953 . 1 . 1 78 78 ILE CG1 C 13 28.6194 . . . . . . . A 690 ILE CG1 . 30093 1 954 . 1 . 1 78 78 ILE CG2 C 13 16.9904 . . . . . . . A 690 ILE CG2 . 30093 1 955 . 1 . 1 78 78 ILE CD1 C 13 12.7524 . . . . . . . A 690 ILE CD1 . 30093 1 956 . 1 . 1 78 78 ILE N N 15 122.1851 . . . . . . . A 690 ILE N . 30093 1 957 . 1 . 1 79 79 LEU H H 1 8.7614 . . . . . . . A 691 LEU H . 30093 1 958 . 1 . 1 79 79 LEU HA H 1 5.5556 . . . . . . . A 691 LEU HA . 30093 1 959 . 1 . 1 79 79 LEU HB2 H 1 1.5765 . . . . . . . A 691 LEU HB2 . 30093 1 960 . 1 . 1 79 79 LEU HB3 H 1 1.5765 . . . . . . . A 691 LEU HB3 . 30093 1 961 . 1 . 1 79 79 LEU HG H 1 1.5964 . . . . . . . A 691 LEU HG . 30093 1 962 . 1 . 1 79 79 LEU HD11 H 1 0.8374 . . . . . . . A 691 LEU HD11 . 30093 1 963 . 1 . 1 79 79 LEU HD12 H 1 0.8374 . . . . . . . A 691 LEU HD12 . 30093 1 964 . 1 . 1 79 79 LEU HD13 H 1 0.8374 . . . . . . . A 691 LEU HD13 . 30093 1 965 . 1 . 1 79 79 LEU C C 13 174.8886 . . . . . . . A 691 LEU C . 30093 1 966 . 1 . 1 79 79 LEU CA C 13 52.9108 . . . . . . . A 691 LEU CA . 30093 1 967 . 1 . 1 79 79 LEU CB C 13 41.8448 . . . . . . . A 691 LEU CB . 30093 1 968 . 1 . 1 79 79 LEU CG C 13 28.1604 . . . . . . . A 691 LEU CG . 30093 1 969 . 1 . 1 79 79 LEU CD1 C 13 26.2534 . . . . . . . A 691 LEU CD1 . 30093 1 970 . 1 . 1 79 79 LEU N N 15 129.9569 . . . . . . . A 691 LEU N . 30093 1 971 . 1 . 1 80 80 GLY H H 1 8.5518 . . . . . . . A 692 GLY H . 30093 1 972 . 1 . 1 80 80 GLY HA2 H 1 3.7375 . . . . . . . A 692 GLY HA2 . 30093 1 973 . 1 . 1 80 80 GLY HA3 H 1 4.4482 . . . . . . . A 692 GLY HA3 . 30093 1 974 . 1 . 1 80 80 GLY C C 13 172.7276 . . . . . . . A 692 GLY C . 30093 1 975 . 1 . 1 80 80 GLY CA C 13 44.9694 . . . . . . . A 692 GLY CA . 30093 1 976 . 1 . 1 80 80 GLY N N 15 110.1927 . . . . . . . A 692 GLY N . 30093 1 977 . 1 . 1 81 81 SER H H 1 8.4579 . . . . . . . A 693 SER H . 30093 1 978 . 1 . 1 81 81 SER HA H 1 4.414 . . . . . . . A 693 SER HA . 30093 1 979 . 1 . 1 81 81 SER HB2 H 1 3.9198 . . . . . . . A 693 SER HB2 . 30093 1 980 . 1 . 1 81 81 SER HB3 H 1 3.9198 . . . . . . . A 693 SER HB3 . 30093 1 981 . 1 . 1 81 81 SER C C 13 174.0967 . . . . . . . A 693 SER C . 30093 1 982 . 1 . 1 81 81 SER CA C 13 58.795 . . . . . . . A 693 SER CA . 30093 1 983 . 1 . 1 81 81 SER CB C 13 64.3645 . . . . . . . A 693 SER CB . 30093 1 984 . 1 . 1 81 81 SER N N 15 115.396 . . . . . . . A 693 SER N . 30093 1 985 . 1 . 1 82 82 LYS H H 1 8.1131 . . . . . . . A 694 LYS H . 30093 1 986 . 1 . 1 82 82 LYS HA H 1 3.5856 . . . . . . . A 694 LYS HA . 30093 1 987 . 1 . 1 82 82 LYS HB2 H 1 1.569 . . . . . . . A 694 LYS HB2 . 30093 1 988 . 1 . 1 82 82 LYS HB3 H 1 1.6644 . . . . . . . A 694 LYS HB3 . 30093 1 989 . 1 . 1 82 82 LYS HG2 H 1 1.1642 . . . . . . . A 694 LYS HG2 . 30093 1 990 . 1 . 1 82 82 LYS HG3 H 1 1.1642 . . . . . . . A 694 LYS HG3 . 30093 1 991 . 1 . 1 82 82 LYS HD2 H 1 1.5507 . . . . . . . A 694 LYS HD2 . 30093 1 992 . 1 . 1 82 82 LYS HD3 H 1 1.5507 . . . . . . . A 694 LYS HD3 . 30093 1 993 . 1 . 1 82 82 LYS HE2 H 1 2.9521 . . . . . . . A 694 LYS HE2 . 30093 1 994 . 1 . 1 82 82 LYS HE3 H 1 2.9521 . . . . . . . A 694 LYS HE3 . 30093 1 995 . 1 . 1 82 82 LYS C C 13 176.4002 . . . . . . . A 694 LYS C . 30093 1 996 . 1 . 1 82 82 LYS CA C 13 57.11 . . . . . . . A 694 LYS CA . 30093 1 997 . 1 . 1 82 82 LYS CB C 13 32.3151 . . . . . . . A 694 LYS CB . 30093 1 998 . 1 . 1 82 82 LYS CG C 13 24.6758 . . . . . . . A 694 LYS CG . 30093 1 999 . 1 . 1 82 82 LYS CD C 13 28.9926 . . . . . . . A 694 LYS CD . 30093 1 1000 . 1 . 1 82 82 LYS CE C 13 41.9615 . . . . . . . A 694 LYS CE . 30093 1 1001 . 1 . 1 82 82 LYS N N 15 121.7589 . . . . . . . A 694 LYS N . 30093 1 1002 . 1 . 1 83 83 GLY H H 1 6.5339 . . . . . . . A 695 GLY H . 30093 1 1003 . 1 . 1 83 83 GLY HA2 H 1 3.3974 . . . . . . . A 695 GLY HA2 . 30093 1 1004 . 1 . 1 83 83 GLY HA3 H 1 4.0852 . . . . . . . A 695 GLY HA3 . 30093 1 1005 . 1 . 1 83 83 GLY C C 13 172.2168 . . . . . . . A 695 GLY C . 30093 1 1006 . 1 . 1 83 83 GLY CA C 13 44.3693 . . . . . . . A 695 GLY CA . 30093 1 1007 . 1 . 1 83 83 GLY N N 15 111.105 . . . . . . . A 695 GLY N . 30093 1 1008 . 1 . 1 84 84 ASN H H 1 7.8304 . . . . . . . A 696 ASN H . 30093 1 1009 . 1 . 1 84 84 ASN HA H 1 4.8156 . . . . . . . A 696 ASN HA . 30093 1 1010 . 1 . 1 84 84 ASN HB2 H 1 2.4671 . . . . . . . A 696 ASN HB2 . 30093 1 1011 . 1 . 1 84 84 ASN HB3 H 1 2.6771 . . . . . . . A 696 ASN HB3 . 30093 1 1012 . 1 . 1 84 84 ASN C C 13 174.5591 . . . . . . . A 696 ASN C . 30093 1 1013 . 1 . 1 84 84 ASN CA C 13 52.2613 . . . . . . . A 696 ASN CA . 30093 1 1014 . 1 . 1 84 84 ASN CB C 13 38.5471 . . . . . . . A 696 ASN CB . 30093 1 1015 . 1 . 1 84 84 ASN N N 15 117.6805 . . . . . . . A 696 ASN N . 30093 1 1016 . 1 . 1 85 85 TYR H H 1 7.1829 . . . . . . . A 697 TYR H . 30093 1 1017 . 1 . 1 85 85 TYR HA H 1 4.6336 . . . . . . . A 697 TYR HA . 30093 1 1018 . 1 . 1 85 85 TYR HB2 H 1 2.674 . . . . . . . A 697 TYR HB2 . 30093 1 1019 . 1 . 1 85 85 TYR HB3 H 1 2.9023 . . . . . . . A 697 TYR HB3 . 30093 1 1020 . 1 . 1 85 85 TYR C C 13 176.3103 . . . . . . . A 697 TYR C . 30093 1 1021 . 1 . 1 85 85 TYR CA C 13 57.5068 . . . . . . . A 697 TYR CA . 30093 1 1022 . 1 . 1 85 85 TYR CB C 13 39.0177 . . . . . . . A 697 TYR CB . 30093 1 1023 . 1 . 1 85 85 TYR N N 15 118.5421 . . . . . . . A 697 TYR N . 30093 1 1024 . 1 . 1 86 86 GLN H H 1 9.1975 . . . . . . . A 698 GLN H . 30093 1 1025 . 1 . 1 86 86 GLN HA H 1 4.4904 . . . . . . . A 698 GLN HA . 30093 1 1026 . 1 . 1 86 86 GLN HB2 H 1 2.0428 . . . . . . . A 698 GLN HB2 . 30093 1 1027 . 1 . 1 86 86 GLN HB3 H 1 2.1087 . . . . . . . A 698 GLN HB3 . 30093 1 1028 . 1 . 1 86 86 GLN HG2 H 1 2.3994 . . . . . . . A 698 GLN HG2 . 30093 1 1029 . 1 . 1 86 86 GLN HG3 H 1 2.3994 . . . . . . . A 698 GLN HG3 . 30093 1 1030 . 1 . 1 86 86 GLN C C 13 177.2514 . . . . . . . A 698 GLN C . 30093 1 1031 . 1 . 1 86 86 GLN CA C 13 55.8838 . . . . . . . A 698 GLN CA . 30093 1 1032 . 1 . 1 86 86 GLN CB C 13 29.5848 . . . . . . . A 698 GLN CB . 30093 1 1033 . 1 . 1 86 86 GLN CG C 13 33.7906 . . . . . . . A 698 GLN CG . 30093 1 1034 . 1 . 1 86 86 GLN N N 15 124.4795 . . . . . . . A 698 GLN N . 30093 1 1035 . 1 . 1 87 87 GLY H H 1 8.7298 . . . . . . . A 699 GLY H . 30093 1 1036 . 1 . 1 87 87 GLY HA2 H 1 3.7536 . . . . . . . A 699 GLY HA2 . 30093 1 1037 . 1 . 1 87 87 GLY HA3 H 1 4.0801 . . . . . . . A 699 GLY HA3 . 30093 1 1038 . 1 . 1 87 87 GLY C C 13 173.6749 . . . . . . . A 699 GLY C . 30093 1 1039 . 1 . 1 87 87 GLY CA C 13 45.6339 . . . . . . . A 699 GLY CA . 30093 1 1040 . 1 . 1 87 87 GLY N N 15 110.9085 . . . . . . . A 699 GLY N . 30093 1 1041 . 1 . 1 88 88 VAL H H 1 7.0214 . . . . . . . A 700 VAL H . 30093 1 1042 . 1 . 1 88 88 VAL HA H 1 3.7902 . . . . . . . A 700 VAL HA . 30093 1 1043 . 1 . 1 88 88 VAL HB H 1 1.9084 . . . . . . . A 700 VAL HB . 30093 1 1044 . 1 . 1 88 88 VAL HG11 H 1 0.4531 . . . . . . . A 700 VAL HG11 . 30093 1 1045 . 1 . 1 88 88 VAL HG12 H 1 0.4531 . . . . . . . A 700 VAL HG12 . 30093 1 1046 . 1 . 1 88 88 VAL HG13 H 1 0.4531 . . . . . . . A 700 VAL HG13 . 30093 1 1047 . 1 . 1 88 88 VAL HG21 H 1 0.724 . . . . . . . A 700 VAL HG21 . 30093 1 1048 . 1 . 1 88 88 VAL HG22 H 1 0.724 . . . . . . . A 700 VAL HG22 . 30093 1 1049 . 1 . 1 88 88 VAL HG23 H 1 0.724 . . . . . . . A 700 VAL HG23 . 30093 1 1050 . 1 . 1 88 88 VAL C C 13 175.5489 . . . . . . . A 700 VAL C . 30093 1 1051 . 1 . 1 88 88 VAL CA C 13 61.9908 . . . . . . . A 700 VAL CA . 30093 1 1052 . 1 . 1 88 88 VAL CB C 13 33.1885 . . . . . . . A 700 VAL CB . 30093 1 1053 . 1 . 1 88 88 VAL CG1 C 13 22.0669 . . . . . . . A 700 VAL CG1 . 30093 1 1054 . 1 . 1 88 88 VAL CG2 C 13 22.2049 . . . . . . . A 700 VAL CG2 . 30093 1 1055 . 1 . 1 88 88 VAL N N 15 116.9458 . . . . . . . A 700 VAL N . 30093 1 1056 . 1 . 1 89 89 ASP H H 1 8.8749 . . . . . . . A 701 ASP H . 30093 1 1057 . 1 . 1 89 89 ASP HA H 1 4.657 . . . . . . . A 701 ASP HA . 30093 1 1058 . 1 . 1 89 89 ASP HB2 H 1 2.3741 . . . . . . . A 701 ASP HB2 . 30093 1 1059 . 1 . 1 89 89 ASP HB3 H 1 2.7075 . . . . . . . A 701 ASP HB3 . 30093 1 1060 . 1 . 1 89 89 ASP C C 13 176.3724 . . . . . . . A 701 ASP C . 30093 1 1061 . 1 . 1 89 89 ASP CA C 13 57.8859 . . . . . . . A 701 ASP CA . 30093 1 1062 . 1 . 1 89 89 ASP CB C 13 43.8454 . . . . . . . A 701 ASP CB . 30093 1 1063 . 1 . 1 89 89 ASP N N 15 125.2484 . . . . . . . A 701 ASP N . 30093 1 1064 . 1 . 1 90 90 ARG H H 1 7.2374 . . . . . . . A 702 ARG H . 30093 1 1065 . 1 . 1 90 90 ARG HA H 1 4.5445 . . . . . . . A 702 ARG HA . 30093 1 1066 . 1 . 1 90 90 ARG HB2 H 1 1.4137 . . . . . . . A 702 ARG HB2 . 30093 1 1067 . 1 . 1 90 90 ARG HB3 H 1 1.4261 . . . . . . . A 702 ARG HB3 . 30093 1 1068 . 1 . 1 90 90 ARG HG2 H 1 1.3912 . . . . . . . A 702 ARG HG2 . 30093 1 1069 . 1 . 1 90 90 ARG HG3 H 1 1.4432 . . . . . . . A 702 ARG HG3 . 30093 1 1070 . 1 . 1 90 90 ARG HD2 H 1 2.8667 . . . . . . . A 702 ARG HD2 . 30093 1 1071 . 1 . 1 90 90 ARG HD3 H 1 3.0436 . . . . . . . A 702 ARG HD3 . 30093 1 1072 . 1 . 1 90 90 ARG C C 13 172.9991 . . . . . . . A 702 ARG C . 30093 1 1073 . 1 . 1 90 90 ARG CA C 13 55.2974 . . . . . . . A 702 ARG CA . 30093 1 1074 . 1 . 1 90 90 ARG CB C 13 35.1813 . . . . . . . A 702 ARG CB . 30093 1 1075 . 1 . 1 90 90 ARG CG C 13 27.8085 . . . . . . . A 702 ARG CG . 30093 1 1076 . 1 . 1 90 90 ARG CD C 13 43.0977 . . . . . . . A 702 ARG CD . 30093 1 1077 . 1 . 1 90 90 ARG N N 15 115.7084 . . . . . . . A 702 ARG N . 30093 1 1078 . 1 . 1 91 91 TYR H H 1 8.5662 . . . . . . . A 703 TYR H . 30093 1 1079 . 1 . 1 91 91 TYR HA H 1 5.322 . . . . . . . A 703 TYR HA . 30093 1 1080 . 1 . 1 91 91 TYR HB2 H 1 2.8515 . . . . . . . A 703 TYR HB2 . 30093 1 1081 . 1 . 1 91 91 TYR HB3 H 1 2.91 . . . . . . . A 703 TYR HB3 . 30093 1 1082 . 1 . 1 91 91 TYR C C 13 175.5437 . . . . . . . A 703 TYR C . 30093 1 1083 . 1 . 1 91 91 TYR CA C 13 56.9676 . . . . . . . A 703 TYR CA . 30093 1 1084 . 1 . 1 91 91 TYR CB C 13 39.9336 . . . . . . . A 703 TYR CB . 30093 1 1085 . 1 . 1 91 91 TYR N N 15 122.2131 . . . . . . . A 703 TYR N . 30093 1 1086 . 1 . 1 92 92 ILE H H 1 9.4115 . . . . . . . A 704 ILE H . 30093 1 1087 . 1 . 1 92 92 ILE HA H 1 4.6223 . . . . . . . A 704 ILE HA . 30093 1 1088 . 1 . 1 92 92 ILE HB H 1 1.874 . . . . . . . A 704 ILE HB . 30093 1 1089 . 1 . 1 92 92 ILE HG12 H 1 0.9554 . . . . . . . A 704 ILE HG12 . 30093 1 1090 . 1 . 1 92 92 ILE HG13 H 1 1.3612 . . . . . . . A 704 ILE HG13 . 30093 1 1091 . 1 . 1 92 92 ILE HG21 H 1 1.0513 . . . . . . . A 704 ILE HG21 . 30093 1 1092 . 1 . 1 92 92 ILE HG22 H 1 1.0513 . . . . . . . A 704 ILE HG22 . 30093 1 1093 . 1 . 1 92 92 ILE HG23 H 1 1.0513 . . . . . . . A 704 ILE HG23 . 30093 1 1094 . 1 . 1 92 92 ILE HD11 H 1 0.4606 . . . . . . . A 704 ILE HD11 . 30093 1 1095 . 1 . 1 92 92 ILE HD12 H 1 0.4606 . . . . . . . A 704 ILE HD12 . 30093 1 1096 . 1 . 1 92 92 ILE HD13 H 1 0.4606 . . . . . . . A 704 ILE HD13 . 30093 1 1097 . 1 . 1 92 92 ILE C C 13 172.7147 . . . . . . . A 704 ILE C . 30093 1 1098 . 1 . 1 92 92 ILE CA C 13 57.9709 . . . . . . . A 704 ILE CA . 30093 1 1099 . 1 . 1 92 92 ILE CB C 13 40.6911 . . . . . . . A 704 ILE CB . 30093 1 1100 . 1 . 1 92 92 ILE CG1 C 13 27.4601 . . . . . . . A 704 ILE CG1 . 30093 1 1101 . 1 . 1 92 92 ILE CG2 C 13 16.7469 . . . . . . . A 704 ILE CG2 . 30093 1 1102 . 1 . 1 92 92 ILE CD1 C 13 13.707 . . . . . . . A 704 ILE CD1 . 30093 1 1103 . 1 . 1 92 92 ILE N N 15 126.5821 . . . . . . . A 704 ILE N . 30093 1 1104 . 1 . 1 93 93 PRO HA H 1 4.5871 . . . . . . . A 705 PRO HA . 30093 1 1105 . 1 . 1 93 93 PRO HB2 H 1 1.8834 . . . . . . . A 705 PRO HB2 . 30093 1 1106 . 1 . 1 93 93 PRO HB3 H 1 2.2992 . . . . . . . A 705 PRO HB3 . 30093 1 1107 . 1 . 1 93 93 PRO HG2 H 1 2.0335 . . . . . . . A 705 PRO HG2 . 30093 1 1108 . 1 . 1 93 93 PRO HG3 H 1 2.0335 . . . . . . . A 705 PRO HG3 . 30093 1 1109 . 1 . 1 93 93 PRO HD2 H 1 3.8063 . . . . . . . A 705 PRO HD2 . 30093 1 1110 . 1 . 1 93 93 PRO HD3 H 1 3.8063 . . . . . . . A 705 PRO HD3 . 30093 1 1111 . 1 . 1 93 93 PRO C C 13 175.3453 . . . . . . . A 705 PRO C . 30093 1 1112 . 1 . 1 93 93 PRO CA C 13 62.9973 . . . . . . . A 705 PRO CA . 30093 1 1113 . 1 . 1 93 93 PRO CB C 13 32.6118 . . . . . . . A 705 PRO CB . 30093 1 1114 . 1 . 1 93 93 PRO CG C 13 27.062 . . . . . . . A 705 PRO CG . 30093 1 1115 . 1 . 1 93 93 PRO CD C 13 51.1257 . . . . . . . A 705 PRO CD . 30093 1 1116 . 1 . 1 94 94 LEU H H 1 7.4004 . . . . . . . A 706 LEU H . 30093 1 1117 . 1 . 1 94 94 LEU HA H 1 4.3016 . . . . . . . A 706 LEU HA . 30093 1 1118 . 1 . 1 94 94 LEU HB2 H 1 1.3517 . . . . . . . A 706 LEU HB2 . 30093 1 1119 . 1 . 1 94 94 LEU HB3 H 1 1.4986 . . . . . . . A 706 LEU HB3 . 30093 1 1120 . 1 . 1 94 94 LEU HG H 1 1.5029 . . . . . . . A 706 LEU HG . 30093 1 1121 . 1 . 1 94 94 LEU HD11 H 1 0.8884 . . . . . . . A 706 LEU HD11 . 30093 1 1122 . 1 . 1 94 94 LEU HD12 H 1 0.8884 . . . . . . . A 706 LEU HD12 . 30093 1 1123 . 1 . 1 94 94 LEU HD13 H 1 0.8884 . . . . . . . A 706 LEU HD13 . 30093 1 1124 . 1 . 1 94 94 LEU HD21 H 1 0.8324 . . . . . . . A 706 LEU HD21 . 30093 1 1125 . 1 . 1 94 94 LEU HD22 H 1 0.8324 . . . . . . . A 706 LEU HD22 . 30093 1 1126 . 1 . 1 94 94 LEU HD23 H 1 0.8324 . . . . . . . A 706 LEU HD23 . 30093 1 1127 . 1 . 1 94 94 LEU C C 13 176.5288 . . . . . . . A 706 LEU C . 30093 1 1128 . 1 . 1 94 94 LEU CA C 13 52.0415 . . . . . . . A 706 LEU CA . 30093 1 1129 . 1 . 1 94 94 LEU CB C 13 43.1263 . . . . . . . A 706 LEU CB . 30093 1 1130 . 1 . 1 94 94 LEU CG C 13 27.2194 . . . . . . . A 706 LEU CG . 30093 1 1131 . 1 . 1 94 94 LEU CD1 C 13 25.9629 . . . . . . . A 706 LEU CD1 . 30093 1 1132 . 1 . 1 94 94 LEU CD2 C 13 23.5203 . . . . . . . A 706 LEU CD2 . 30093 1 1133 . 1 . 1 94 94 LEU N N 15 116.7527 . . . . . . . A 706 LEU N . 30093 1 1134 . 1 . 1 95 95 PRO HA H 1 4.4061 . . . . . . . A 707 PRO HA . 30093 1 1135 . 1 . 1 95 95 PRO HB2 H 1 1.9386 . . . . . . . A 707 PRO HB2 . 30093 1 1136 . 1 . 1 95 95 PRO HB3 H 1 2.3679 . . . . . . . A 707 PRO HB3 . 30093 1 1137 . 1 . 1 95 95 PRO HG2 H 1 1.7163 . . . . . . . A 707 PRO HG2 . 30093 1 1138 . 1 . 1 95 95 PRO HG3 H 1 1.878 . . . . . . . A 707 PRO HG3 . 30093 1 1139 . 1 . 1 95 95 PRO HD2 H 1 3.4454 . . . . . . . A 707 PRO HD2 . 30093 1 1140 . 1 . 1 95 95 PRO HD3 H 1 3.573 . . . . . . . A 707 PRO HD3 . 30093 1 1141 . 1 . 1 95 95 PRO C C 13 175.9111 . . . . . . . A 707 PRO C . 30093 1 1142 . 1 . 1 95 95 PRO CA C 13 61.7238 . . . . . . . A 707 PRO CA . 30093 1 1143 . 1 . 1 95 95 PRO CB C 13 35.0035 . . . . . . . A 707 PRO CB . 30093 1 1144 . 1 . 1 95 95 PRO CG C 13 24.6525 . . . . . . . A 707 PRO CG . 30093 1 1145 . 1 . 1 95 95 PRO CD C 13 50.7187 . . . . . . . A 707 PRO CD . 30093 1 1146 . 1 . 1 96 96 ILE H H 1 8.2189 . . . . . . . A 708 ILE H . 30093 1 1147 . 1 . 1 96 96 ILE HA H 1 4.048 . . . . . . . A 708 ILE HA . 30093 1 1148 . 1 . 1 96 96 ILE HB H 1 1.6591 . . . . . . . A 708 ILE HB . 30093 1 1149 . 1 . 1 96 96 ILE HG12 H 1 1.0571 . . . . . . . A 708 ILE HG12 . 30093 1 1150 . 1 . 1 96 96 ILE HG13 H 1 1.0571 . . . . . . . A 708 ILE HG13 . 30093 1 1151 . 1 . 1 96 96 ILE HG21 H 1 0.4158 . . . . . . . A 708 ILE HG21 . 30093 1 1152 . 1 . 1 96 96 ILE HG22 H 1 0.4158 . . . . . . . A 708 ILE HG22 . 30093 1 1153 . 1 . 1 96 96 ILE HG23 H 1 0.4158 . . . . . . . A 708 ILE HG23 . 30093 1 1154 . 1 . 1 96 96 ILE HD11 H 1 0.2138 . . . . . . . A 708 ILE HD11 . 30093 1 1155 . 1 . 1 96 96 ILE HD12 H 1 0.2138 . . . . . . . A 708 ILE HD12 . 30093 1 1156 . 1 . 1 96 96 ILE HD13 H 1 0.2138 . . . . . . . A 708 ILE HD13 . 30093 1 1157 . 1 . 1 96 96 ILE C C 13 175.3721 . . . . . . . A 708 ILE C . 30093 1 1158 . 1 . 1 96 96 ILE CA C 13 60.2153 . . . . . . . A 708 ILE CA . 30093 1 1159 . 1 . 1 96 96 ILE CB C 13 37.7667 . . . . . . . A 708 ILE CB . 30093 1 1160 . 1 . 1 96 96 ILE CG1 C 13 26.8899 . . . . . . . A 708 ILE CG1 . 30093 1 1161 . 1 . 1 96 96 ILE CG2 C 13 17.6052 . . . . . . . A 708 ILE CG2 . 30093 1 1162 . 1 . 1 96 96 ILE CD1 C 13 12.0855 . . . . . . . A 708 ILE CD1 . 30093 1 1163 . 1 . 1 96 96 ILE N N 15 117.6678 . . . . . . . A 708 ILE N . 30093 1 1164 . 1 . 1 97 97 HIS H H 1 8.7458 . . . . . . . A 709 HIS H . 30093 1 1165 . 1 . 1 97 97 HIS HA H 1 5.1184 . . . . . . . A 709 HIS HA . 30093 1 1166 . 1 . 1 97 97 HIS HB2 H 1 3.1215 . . . . . . . A 709 HIS HB2 . 30093 1 1167 . 1 . 1 97 97 HIS HB3 H 1 3.2861 . . . . . . . A 709 HIS HB3 . 30093 1 1168 . 1 . 1 97 97 HIS C C 13 174.4246 . . . . . . . A 709 HIS C . 30093 1 1169 . 1 . 1 97 97 HIS CA C 13 52.9895 . . . . . . . A 709 HIS CA . 30093 1 1170 . 1 . 1 97 97 HIS CB C 13 31.1909 . . . . . . . A 709 HIS CB . 30093 1 1171 . 1 . 1 97 97 HIS N N 15 127.2321 . . . . . . . A 709 HIS N . 30093 1 1172 . 1 . 1 98 98 PRO HA H 1 3.9614 . . . . . . . A 710 PRO HA . 30093 1 1173 . 1 . 1 98 98 PRO HB2 H 1 2.08 . . . . . . . A 710 PRO HB2 . 30093 1 1174 . 1 . 1 98 98 PRO HB3 H 1 2.226 . . . . . . . A 710 PRO HB3 . 30093 1 1175 . 1 . 1 98 98 PRO HG2 H 1 1.7703 . . . . . . . A 710 PRO HG2 . 30093 1 1176 . 1 . 1 98 98 PRO HG3 H 1 2.2212 . . . . . . . A 710 PRO HG3 . 30093 1 1177 . 1 . 1 98 98 PRO HD2 H 1 3.6466 . . . . . . . A 710 PRO HD2 . 30093 1 1178 . 1 . 1 98 98 PRO HD3 H 1 3.895 . . . . . . . A 710 PRO HD3 . 30093 1 1179 . 1 . 1 98 98 PRO C C 13 177.2489 . . . . . . . A 710 PRO C . 30093 1 1180 . 1 . 1 98 98 PRO CA C 13 66.8837 . . . . . . . A 710 PRO CA . 30093 1 1181 . 1 . 1 98 98 PRO CB C 13 32.5798 . . . . . . . A 710 PRO CB . 30093 1 1182 . 1 . 1 98 98 PRO CG C 13 27.682 . . . . . . . A 710 PRO CG . 30093 1 1183 . 1 . 1 98 98 PRO CD C 13 50.8863 . . . . . . . A 710 PRO CD . 30093 1 1184 . 1 . 1 99 99 GLU H H 1 9.151 . . . . . . . A 711 GLU H . 30093 1 1185 . 1 . 1 99 99 GLU HA H 1 4.1669 . . . . . . . A 711 GLU HA . 30093 1 1186 . 1 . 1 99 99 GLU HB2 H 1 2.0691 . . . . . . . A 711 GLU HB2 . 30093 1 1187 . 1 . 1 99 99 GLU HG2 H 1 2.3439 . . . . . . . A 711 GLU HG2 . 30093 1 1188 . 1 . 1 99 99 GLU HG3 H 1 2.3439 . . . . . . . A 711 GLU HG3 . 30093 1 1189 . 1 . 1 99 99 GLU C C 13 178.3882 . . . . . . . A 711 GLU C . 30093 1 1190 . 1 . 1 99 99 GLU CA C 13 59.7363 . . . . . . . A 711 GLU CA . 30093 1 1191 . 1 . 1 99 99 GLU CB C 13 29.2957 . . . . . . . A 711 GLU CB . 30093 1 1192 . 1 . 1 99 99 GLU CG C 13 36.8323 . . . . . . . A 711 GLU CG . 30093 1 1193 . 1 . 1 99 99 GLU N N 15 116.3391 . . . . . . . A 711 GLU N . 30093 1 1194 . 1 . 1 100 100 SER H H 1 7.7905 . . . . . . . A 712 SER H . 30093 1 1195 . 1 . 1 100 100 SER HA H 1 4.6021 . . . . . . . A 712 SER HA . 30093 1 1196 . 1 . 1 100 100 SER HB2 H 1 3.9277 . . . . . . . A 712 SER HB2 . 30093 1 1197 . 1 . 1 100 100 SER HB3 H 1 4.1048 . . . . . . . A 712 SER HB3 . 30093 1 1198 . 1 . 1 100 100 SER C C 13 176.5029 . . . . . . . A 712 SER C . 30093 1 1199 . 1 . 1 100 100 SER CA C 13 59.6343 . . . . . . . A 712 SER CA . 30093 1 1200 . 1 . 1 100 100 SER CB C 13 63.707 . . . . . . . A 712 SER CB . 30093 1 1201 . 1 . 1 100 100 SER N N 15 113.6129 . . . . . . . A 712 SER N . 30093 1 1202 . 1 . 1 101 101 PHE H H 1 8.4821 . . . . . . . A 713 PHE H . 30093 1 1203 . 1 . 1 101 101 PHE HA H 1 4.2744 . . . . . . . A 713 PHE HA . 30093 1 1204 . 1 . 1 101 101 PHE HB2 H 1 2.9177 . . . . . . . A 713 PHE HB2 . 30093 1 1205 . 1 . 1 101 101 PHE HB3 H 1 3.4072 . . . . . . . A 713 PHE HB3 . 30093 1 1206 . 1 . 1 101 101 PHE C C 13 176.2545 . . . . . . . A 713 PHE C . 30093 1 1207 . 1 . 1 101 101 PHE CA C 13 61.9236 . . . . . . . A 713 PHE CA . 30093 1 1208 . 1 . 1 101 101 PHE CB C 13 39.6867 . . . . . . . A 713 PHE CB . 30093 1 1209 . 1 . 1 101 101 PHE N N 15 123.9384 . . . . . . . A 713 PHE N . 30093 1 1210 . 1 . 1 102 102 LEU H H 1 8.3978 . . . . . . . A 714 LEU H . 30093 1 1211 . 1 . 1 102 102 LEU HA H 1 3.6331 . . . . . . . A 714 LEU HA . 30093 1 1212 . 1 . 1 102 102 LEU HB2 H 1 1.5087 . . . . . . . A 714 LEU HB2 . 30093 1 1213 . 1 . 1 102 102 LEU HB3 H 1 1.827 . . . . . . . A 714 LEU HB3 . 30093 1 1214 . 1 . 1 102 102 LEU HG H 1 1.6217 . . . . . . . A 714 LEU HG . 30093 1 1215 . 1 . 1 102 102 LEU HD11 H 1 0.9586 . . . . . . . A 714 LEU HD11 . 30093 1 1216 . 1 . 1 102 102 LEU HD12 H 1 0.9586 . . . . . . . A 714 LEU HD12 . 30093 1 1217 . 1 . 1 102 102 LEU HD13 H 1 0.9586 . . . . . . . A 714 LEU HD13 . 30093 1 1218 . 1 . 1 102 102 LEU HD21 H 1 0.8679 . . . . . . . A 714 LEU HD21 . 30093 1 1219 . 1 . 1 102 102 LEU HD22 H 1 0.8679 . . . . . . . A 714 LEU HD22 . 30093 1 1220 . 1 . 1 102 102 LEU HD23 H 1 0.8679 . . . . . . . A 714 LEU HD23 . 30093 1 1221 . 1 . 1 102 102 LEU C C 13 179.4854 . . . . . . . A 714 LEU C . 30093 1 1222 . 1 . 1 102 102 LEU CA C 13 57.9058 . . . . . . . A 714 LEU CA . 30093 1 1223 . 1 . 1 102 102 LEU CB C 13 41.4043 . . . . . . . A 714 LEU CB . 30093 1 1224 . 1 . 1 102 102 LEU CG C 13 26.9959 . . . . . . . A 714 LEU CG . 30093 1 1225 . 1 . 1 102 102 LEU CD1 C 13 25.3363 . . . . . . . A 714 LEU CD1 . 30093 1 1226 . 1 . 1 102 102 LEU CD2 C 13 23.6988 . . . . . . . A 714 LEU CD2 . 30093 1 1227 . 1 . 1 102 102 LEU N N 15 118.0049 . . . . . . . A 714 LEU N . 30093 1 1228 . 1 . 1 103 103 GLN H H 1 7.932 . . . . . . . A 715 GLN H . 30093 1 1229 . 1 . 1 103 103 GLN HA H 1 3.9911 . . . . . . . A 715 GLN HA . 30093 1 1230 . 1 . 1 103 103 GLN HB2 H 1 2.1882 . . . . . . . A 715 GLN HB2 . 30093 1 1231 . 1 . 1 103 103 GLN HB3 H 1 2.1882 . . . . . . . A 715 GLN HB3 . 30093 1 1232 . 1 . 1 103 103 GLN HG2 H 1 2.3925 . . . . . . . A 715 GLN HG2 . 30093 1 1233 . 1 . 1 103 103 GLN HG3 H 1 2.4773 . . . . . . . A 715 GLN HG3 . 30093 1 1234 . 1 . 1 103 103 GLN C C 13 177.9925 . . . . . . . A 715 GLN C . 30093 1 1235 . 1 . 1 103 103 GLN CA C 13 59.2473 . . . . . . . A 715 GLN CA . 30093 1 1236 . 1 . 1 103 103 GLN CB C 13 28.1549 . . . . . . . A 715 GLN CB . 30093 1 1237 . 1 . 1 103 103 GLN CG C 13 33.8416 . . . . . . . A 715 GLN CG . 30093 1 1238 . 1 . 1 103 103 GLN N N 15 119.3646 . . . . . . . A 715 GLN N . 30093 1 1239 . 1 . 1 104 104 GLN H H 1 7.9539 . . . . . . . A 716 GLN H . 30093 1 1240 . 1 . 1 104 104 GLN HA H 1 3.8864 . . . . . . . A 716 GLN HA . 30093 1 1241 . 1 . 1 104 104 GLN HB2 H 1 1.8787 . . . . . . . A 716 GLN HB2 . 30093 1 1242 . 1 . 1 104 104 GLN HB3 H 1 2.0933 . . . . . . . A 716 GLN HB3 . 30093 1 1243 . 1 . 1 104 104 GLN HG2 H 1 2.4254 . . . . . . . A 716 GLN HG2 . 30093 1 1244 . 1 . 1 104 104 GLN HG3 H 1 2.5955 . . . . . . . A 716 GLN HG3 . 30093 1 1245 . 1 . 1 104 104 GLN C C 13 178.716 . . . . . . . A 716 GLN C . 30093 1 1246 . 1 . 1 104 104 GLN CA C 13 59.2325 . . . . . . . A 716 GLN CA . 30093 1 1247 . 1 . 1 104 104 GLN CB C 13 29.0346 . . . . . . . A 716 GLN CB . 30093 1 1248 . 1 . 1 104 104 GLN CG C 13 34.5765 . . . . . . . A 716 GLN CG . 30093 1 1249 . 1 . 1 104 104 GLN N N 15 117.6372 . . . . . . . A 716 GLN N . 30093 1 1250 . 1 . 1 105 105 VAL H H 1 7.7513 . . . . . . . A 717 VAL H . 30093 1 1251 . 1 . 1 105 105 VAL HA H 1 3.2348 . . . . . . . A 717 VAL HA . 30093 1 1252 . 1 . 1 105 105 VAL HB H 1 1.5608 . . . . . . . A 717 VAL HB . 30093 1 1253 . 1 . 1 105 105 VAL HG11 H 1 0.0072 . . . . . . . A 717 VAL HG11 . 30093 1 1254 . 1 . 1 105 105 VAL HG12 H 1 0.0072 . . . . . . . A 717 VAL HG12 . 30093 1 1255 . 1 . 1 105 105 VAL HG13 H 1 0.0072 . . . . . . . A 717 VAL HG13 . 30093 1 1256 . 1 . 1 105 105 VAL HG21 H 1 0.316 . . . . . . . A 717 VAL HG21 . 30093 1 1257 . 1 . 1 105 105 VAL HG22 H 1 0.316 . . . . . . . A 717 VAL HG22 . 30093 1 1258 . 1 . 1 105 105 VAL HG23 H 1 0.316 . . . . . . . A 717 VAL HG23 . 30093 1 1259 . 1 . 1 105 105 VAL C C 13 177.1762 . . . . . . . A 717 VAL C . 30093 1 1260 . 1 . 1 105 105 VAL CA C 13 66.0116 . . . . . . . A 717 VAL CA . 30093 1 1261 . 1 . 1 105 105 VAL CB C 13 31.4912 . . . . . . . A 717 VAL CB . 30093 1 1262 . 1 . 1 105 105 VAL CG1 C 13 22.7768 . . . . . . . A 717 VAL CG1 . 30093 1 1263 . 1 . 1 105 105 VAL CG2 C 13 20.2665 . . . . . . . A 717 VAL CG2 . 30093 1 1264 . 1 . 1 105 105 VAL N N 15 118.5771 . . . . . . . A 717 VAL N . 30093 1 1265 . 1 . 1 106 106 THR H H 1 8.2512 . . . . . . . A 718 THR H . 30093 1 1266 . 1 . 1 106 106 THR HA H 1 3.7696 . . . . . . . A 718 THR HA . 30093 1 1267 . 1 . 1 106 106 THR HB H 1 4.2409 . . . . . . . A 718 THR HB . 30093 1 1268 . 1 . 1 106 106 THR HG21 H 1 1.2389 . . . . . . . A 718 THR HG21 . 30093 1 1269 . 1 . 1 106 106 THR HG22 H 1 1.2389 . . . . . . . A 718 THR HG22 . 30093 1 1270 . 1 . 1 106 106 THR HG23 H 1 1.2389 . . . . . . . A 718 THR HG23 . 30093 1 1271 . 1 . 1 106 106 THR C C 13 177.9476 . . . . . . . A 718 THR C . 30093 1 1272 . 1 . 1 106 106 THR CA C 13 66.724 . . . . . . . A 718 THR CA . 30093 1 1273 . 1 . 1 106 106 THR CB C 13 68.7566 . . . . . . . A 718 THR CB . 30093 1 1274 . 1 . 1 106 106 THR CG2 C 13 21.5125 . . . . . . . A 718 THR CG2 . 30093 1 1275 . 1 . 1 106 106 THR N N 15 112.8447 . . . . . . . A 718 THR N . 30093 1 1276 . 1 . 1 107 107 MET H H 1 8.2543 . . . . . . . A 719 MET H . 30093 1 1277 . 1 . 1 107 107 MET HA H 1 4.2081 . . . . . . . A 719 MET HA . 30093 1 1278 . 1 . 1 107 107 MET HB2 H 1 2.0195 . . . . . . . A 719 MET HB2 . 30093 1 1279 . 1 . 1 107 107 MET HB3 H 1 2.1261 . . . . . . . A 719 MET HB3 . 30093 1 1280 . 1 . 1 107 107 MET HG2 H 1 2.5768 . . . . . . . A 719 MET HG2 . 30093 1 1281 . 1 . 1 107 107 MET HG3 H 1 2.7261 . . . . . . . A 719 MET HG3 . 30093 1 1282 . 1 . 1 107 107 MET C C 13 178.7344 . . . . . . . A 719 MET C . 30093 1 1283 . 1 . 1 107 107 MET CA C 13 58.4804 . . . . . . . A 719 MET CA . 30093 1 1284 . 1 . 1 107 107 MET CB C 13 32.4337 . . . . . . . A 719 MET CB . 30093 1 1285 . 1 . 1 107 107 MET CG C 13 32.4272 . . . . . . . A 719 MET CG . 30093 1 1286 . 1 . 1 107 107 MET N N 15 120.7906 . . . . . . . A 719 MET N . 30093 1 1287 . 1 . 1 108 108 GLY H H 1 7.9029 . . . . . . . A 720 GLY H . 30093 1 1288 . 1 . 1 108 108 GLY HA2 H 1 3.5428 . . . . . . . A 720 GLY HA2 . 30093 1 1289 . 1 . 1 108 108 GLY HA3 H 1 4.013 . . . . . . . A 720 GLY HA3 . 30093 1 1290 . 1 . 1 108 108 GLY C C 13 174.7331 . . . . . . . A 720 GLY C . 30093 1 1291 . 1 . 1 108 108 GLY CA C 13 46.338 . . . . . . . A 720 GLY CA . 30093 1 1292 . 1 . 1 108 108 GLY N N 15 112.5466 . . . . . . . A 720 GLY N . 30093 1 1293 . 1 . 1 109 109 LEU H H 1 7.857 . . . . . . . A 721 LEU H . 30093 1 1294 . 1 . 1 109 109 LEU HA H 1 4.3792 . . . . . . . A 721 LEU HA . 30093 1 1295 . 1 . 1 109 109 LEU HB2 H 1 1.6806 . . . . . . . A 721 LEU HB2 . 30093 1 1296 . 1 . 1 109 109 LEU HB3 H 1 1.9478 . . . . . . . A 721 LEU HB3 . 30093 1 1297 . 1 . 1 109 109 LEU HG H 1 1.9504 . . . . . . . A 721 LEU HG . 30093 1 1298 . 1 . 1 109 109 LEU HD11 H 1 0.7244 . . . . . . . A 721 LEU HD11 . 30093 1 1299 . 1 . 1 109 109 LEU HD12 H 1 0.7244 . . . . . . . A 721 LEU HD12 . 30093 1 1300 . 1 . 1 109 109 LEU HD13 H 1 0.7244 . . . . . . . A 721 LEU HD13 . 30093 1 1301 . 1 . 1 109 109 LEU HD21 H 1 0.7723 . . . . . . . A 721 LEU HD21 . 30093 1 1302 . 1 . 1 109 109 LEU HD22 H 1 0.7723 . . . . . . . A 721 LEU HD22 . 30093 1 1303 . 1 . 1 109 109 LEU HD23 H 1 0.7723 . . . . . . . A 721 LEU HD23 . 30093 1 1304 . 1 . 1 109 109 LEU C C 13 177.8952 . . . . . . . A 721 LEU C . 30093 1 1305 . 1 . 1 109 109 LEU CA C 13 56.1124 . . . . . . . A 721 LEU CA . 30093 1 1306 . 1 . 1 109 109 LEU CB C 13 42.3497 . . . . . . . A 721 LEU CB . 30093 1 1307 . 1 . 1 109 109 LEU CG C 13 26.4346 . . . . . . . A 721 LEU CG . 30093 1 1308 . 1 . 1 109 109 LEU CD1 C 13 25.8923 . . . . . . . A 721 LEU CD1 . 30093 1 1309 . 1 . 1 109 109 LEU CD2 C 13 23.2335 . . . . . . . A 721 LEU CD2 . 30093 1 1310 . 1 . 1 109 109 LEU N N 15 119.2735 . . . . . . . A 721 LEU N . 30093 1 1311 . 1 . 1 110 110 THR H H 1 7.5977 . . . . . . . A 722 THR H . 30093 1 1312 . 1 . 1 110 110 THR HA H 1 4.3722 . . . . . . . A 722 THR HA . 30093 1 1313 . 1 . 1 110 110 THR HB H 1 4.3374 . . . . . . . A 722 THR HB . 30093 1 1314 . 1 . 1 110 110 THR HG21 H 1 1.2987 . . . . . . . A 722 THR HG21 . 30093 1 1315 . 1 . 1 110 110 THR HG22 H 1 1.2987 . . . . . . . A 722 THR HG22 . 30093 1 1316 . 1 . 1 110 110 THR HG23 H 1 1.2987 . . . . . . . A 722 THR HG23 . 30093 1 1317 . 1 . 1 110 110 THR C C 13 174.6058 . . . . . . . A 722 THR C . 30093 1 1318 . 1 . 1 110 110 THR CA C 13 62.6227 . . . . . . . A 722 THR CA . 30093 1 1319 . 1 . 1 110 110 THR CB C 13 70.0447 . . . . . . . A 722 THR CB . 30093 1 1320 . 1 . 1 110 110 THR CG2 C 13 21.3478 . . . . . . . A 722 THR CG2 . 30093 1 1321 . 1 . 1 110 110 THR N N 15 111.1375 . . . . . . . A 722 THR N . 30093 1 1322 . 1 . 1 111 111 SER H H 1 7.9392 . . . . . . . A 723 SER H . 30093 1 1323 . 1 . 1 111 111 SER HA H 1 4.4908 . . . . . . . A 723 SER HA . 30093 1 1324 . 1 . 1 111 111 SER HB2 H 1 3.9287 . . . . . . . A 723 SER HB2 . 30093 1 1325 . 1 . 1 111 111 SER HB3 H 1 3.958 . . . . . . . A 723 SER HB3 . 30093 1 1326 . 1 . 1 111 111 SER C C 13 174.4971 . . . . . . . A 723 SER C . 30093 1 1327 . 1 . 1 111 111 SER CA C 13 58.5737 . . . . . . . A 723 SER CA . 30093 1 1328 . 1 . 1 111 111 SER CB C 13 63.6855 . . . . . . . A 723 SER CB . 30093 1 1329 . 1 . 1 111 111 SER N N 15 116.8829 . . . . . . . A 723 SER N . 30093 1 1330 . 1 . 1 112 112 LEU H H 1 8.0656 . . . . . . . A 724 LEU H . 30093 1 1331 . 1 . 1 112 112 LEU HA H 1 4.4076 . . . . . . . A 724 LEU HA . 30093 1 1332 . 1 . 1 112 112 LEU HB2 H 1 1.6538 . . . . . . . A 724 LEU HB2 . 30093 1 1333 . 1 . 1 112 112 LEU HB3 H 1 1.6538 . . . . . . . A 724 LEU HB3 . 30093 1 1334 . 1 . 1 112 112 LEU HG H 1 1.6552 . . . . . . . A 724 LEU HG . 30093 1 1335 . 1 . 1 112 112 LEU HD11 H 1 0.8894 . . . . . . . A 724 LEU HD11 . 30093 1 1336 . 1 . 1 112 112 LEU HD12 H 1 0.8894 . . . . . . . A 724 LEU HD12 . 30093 1 1337 . 1 . 1 112 112 LEU HD13 H 1 0.8894 . . . . . . . A 724 LEU HD13 . 30093 1 1338 . 1 . 1 112 112 LEU HD21 H 1 0.9499 . . . . . . . A 724 LEU HD21 . 30093 1 1339 . 1 . 1 112 112 LEU HD22 H 1 0.9499 . . . . . . . A 724 LEU HD22 . 30093 1 1340 . 1 . 1 112 112 LEU HD23 H 1 0.9499 . . . . . . . A 724 LEU HD23 . 30093 1 1341 . 1 . 1 112 112 LEU C C 13 177.0902 . . . . . . . A 724 LEU C . 30093 1 1342 . 1 . 1 112 112 LEU CA C 13 55.1335 . . . . . . . A 724 LEU CA . 30093 1 1343 . 1 . 1 112 112 LEU CB C 13 42.7352 . . . . . . . A 724 LEU CB . 30093 1 1344 . 1 . 1 112 112 LEU CG C 13 27.1143 . . . . . . . A 724 LEU CG . 30093 1 1345 . 1 . 1 112 112 LEU CD1 C 13 23.7401 . . . . . . . A 724 LEU CD1 . 30093 1 1346 . 1 . 1 112 112 LEU CD2 C 13 25.2159 . . . . . . . A 724 LEU CD2 . 30093 1 1347 . 1 . 1 112 112 LEU N N 15 123.8537 . . . . . . . A 724 LEU N . 30093 1 1348 . 1 . 1 113 113 ALA H H 1 8.2543 . . . . . . . A 725 ALA H . 30093 1 1349 . 1 . 1 113 113 ALA HA H 1 4.4202 . . . . . . . A 725 ALA HA . 30093 1 1350 . 1 . 1 113 113 ALA HB1 H 1 1.428 . . . . . . . A 725 ALA HB1 . 30093 1 1351 . 1 . 1 113 113 ALA HB2 H 1 1.428 . . . . . . . A 725 ALA HB2 . 30093 1 1352 . 1 . 1 113 113 ALA HB3 H 1 1.428 . . . . . . . A 725 ALA HB3 . 30093 1 1353 . 1 . 1 113 113 ALA C C 13 177.8682 . . . . . . . A 725 ALA C . 30093 1 1354 . 1 . 1 113 113 ALA CA C 13 52.5375 . . . . . . . A 725 ALA CA . 30093 1 1355 . 1 . 1 113 113 ALA CB C 13 19.3029 . . . . . . . A 725 ALA CB . 30093 1 1356 . 1 . 1 113 113 ALA N N 15 124.6193 . . . . . . . A 725 ALA N . 30093 1 1357 . 1 . 1 114 114 THR H H 1 7.9458 . . . . . . . A 726 THR H . 30093 1 1358 . 1 . 1 114 114 THR HA H 1 4.3865 . . . . . . . A 726 THR HA . 30093 1 1359 . 1 . 1 114 114 THR HB H 1 4.2781 . . . . . . . A 726 THR HB . 30093 1 1360 . 1 . 1 114 114 THR HG21 H 1 1.2305 . . . . . . . A 726 THR HG21 . 30093 1 1361 . 1 . 1 114 114 THR HG22 H 1 1.2305 . . . . . . . A 726 THR HG22 . 30093 1 1362 . 1 . 1 114 114 THR HG23 H 1 1.2305 . . . . . . . A 726 THR HG23 . 30093 1 1363 . 1 . 1 114 114 THR C C 13 174.5919 . . . . . . . A 726 THR C . 30093 1 1364 . 1 . 1 114 114 THR CA C 13 61.6065 . . . . . . . A 726 THR CA . 30093 1 1365 . 1 . 1 114 114 THR CB C 13 69.7437 . . . . . . . A 726 THR CB . 30093 1 1366 . 1 . 1 114 114 THR CG2 C 13 21.5128 . . . . . . . A 726 THR CG2 . 30093 1 1367 . 1 . 1 114 114 THR N N 15 112.4835 . . . . . . . A 726 THR N . 30093 1 1368 . 1 . 1 115 115 SER H H 1 8.1199 . . . . . . . A 727 SER H . 30093 1 1369 . 1 . 1 115 115 SER HA H 1 4.5011 . . . . . . . A 727 SER HA . 30093 1 1370 . 1 . 1 115 115 SER HB2 H 1 3.8969 . . . . . . . A 727 SER HB2 . 30093 1 1371 . 1 . 1 115 115 SER HB3 H 1 3.8969 . . . . . . . A 727 SER HB3 . 30093 1 1372 . 1 . 1 115 115 SER C C 13 174.0124 . . . . . . . A 727 SER C . 30093 1 1373 . 1 . 1 115 115 SER CA C 13 58.1655 . . . . . . . A 727 SER CA . 30093 1 1374 . 1 . 1 115 115 SER CB C 13 63.9616 . . . . . . . A 727 SER CB . 30093 1 1375 . 1 . 1 115 115 SER N N 15 117.5144 . . . . . . . A 727 SER N . 30093 1 1376 . 1 . 1 116 116 ALA H H 1 8.183 . . . . . . . A 728 ALA H . 30093 1 1377 . 1 . 1 116 116 ALA HA H 1 4.3938 . . . . . . . A 728 ALA HA . 30093 1 1378 . 1 . 1 116 116 ALA HB1 H 1 1.4092 . . . . . . . A 728 ALA HB1 . 30093 1 1379 . 1 . 1 116 116 ALA HB2 H 1 1.4092 . . . . . . . A 728 ALA HB2 . 30093 1 1380 . 1 . 1 116 116 ALA HB3 H 1 1.4092 . . . . . . . A 728 ALA HB3 . 30093 1 1381 . 1 . 1 116 116 ALA C C 13 176.568 . . . . . . . A 728 ALA C . 30093 1 1382 . 1 . 1 116 116 ALA CA C 13 52.5238 . . . . . . . A 728 ALA CA . 30093 1 1383 . 1 . 1 116 116 ALA CB C 13 19.3561 . . . . . . . A 728 ALA CB . 30093 1 1384 . 1 . 1 116 116 ALA N N 15 126.3423 . . . . . . . A 728 ALA N . 30093 1 1385 . 1 . 1 117 117 GLN H H 1 7.7651 . . . . . . . A 729 GLN H . 30093 1 1386 . 1 . 1 117 117 GLN HA H 1 4.1695 . . . . . . . A 729 GLN HA . 30093 1 1387 . 1 . 1 117 117 GLN HB2 H 1 1.9267 . . . . . . . A 729 GLN HB2 . 30093 1 1388 . 1 . 1 117 117 GLN HB3 H 1 2.1183 . . . . . . . A 729 GLN HB3 . 30093 1 1389 . 1 . 1 117 117 GLN HG2 H 1 2.3005 . . . . . . . A 729 GLN HG2 . 30093 1 1390 . 1 . 1 117 117 GLN HG3 H 1 2.3005 . . . . . . . A 729 GLN HG3 . 30093 1 1391 . 1 . 1 117 117 GLN C C 13 180.4351 . . . . . . . A 729 GLN C . 30093 1 1392 . 1 . 1 117 117 GLN CA C 13 57.3063 . . . . . . . A 729 GLN CA . 30093 1 1393 . 1 . 1 117 117 GLN CB C 13 30.6792 . . . . . . . A 729 GLN CB . 30093 1 1394 . 1 . 1 117 117 GLN CG C 13 34.338 . . . . . . . A 729 GLN CG . 30093 1 1395 . 1 . 1 117 117 GLN N N 15 124.302 . . . . . . . A 729 GLN N . 30093 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 30093 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 2 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2 _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 13 '3D HCCH-TOCSY' . . . 30093 2 14 '3D HCCH-COSY' . . . 30093 2 15 '3D 13C edited 1H-13C NOESY' . . . 30093 2 36 '13C-edited, 12C-filtered 3D NOESY-HSQC' . . . 30093 2 39 '2D 1H-13C HSQC' . . . 30093 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 30093 2 3 $software_3 . . 30093 2 5 $software_5 . . 30093 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 . 2 3 3 PRO HA H 1 4.3921 . . . . . . . B 3 PRO HA . 30093 2 2 . 2 . 2 3 3 PRO HB2 H 1 1.8705 . . . . . . . B 3 PRO HB2 . 30093 2 3 . 2 . 2 3 3 PRO HB3 H 1 2.2586 . . . . . . . B 3 PRO HB3 . 30093 2 4 . 2 . 2 3 3 PRO HG2 H 1 2.0191 . . . . . . . B 3 PRO HG2 . 30093 2 5 . 2 . 2 3 3 PRO HG3 H 1 2.0191 . . . . . . . B 3 PRO HG3 . 30093 2 6 . 2 . 2 3 3 PRO HD2 H 1 3.636 . . . . . . . B 3 PRO HD2 . 30093 2 7 . 2 . 2 3 3 PRO HD3 H 1 3.7872 . . . . . . . B 3 PRO HD3 . 30093 2 8 . 2 . 2 3 3 PRO C C 13 176.5336 . . . . . . . B 3 PRO C . 30093 2 9 . 2 . 2 3 3 PRO CA C 13 63.0143 . . . . . . . B 3 PRO CA . 30093 2 10 . 2 . 2 3 3 PRO CB C 13 31.9281 . . . . . . . B 3 PRO CB . 30093 2 11 . 2 . 2 3 3 PRO CG C 13 27.4651 . . . . . . . B 3 PRO CG . 30093 2 12 . 2 . 2 3 3 PRO CD C 13 50.4179 . . . . . . . B 3 PRO CD . 30093 2 13 . 2 . 2 4 4 LEU H H 1 8.0385 . . . . . . . B 4 LEU H . 30093 2 14 . 2 . 2 4 4 LEU HA H 1 4.2965 . . . . . . . B 4 LEU HA . 30093 2 15 . 2 . 2 4 4 LEU HB2 H 1 1.5561 . . . . . . . B 4 LEU HB2 . 30093 2 16 . 2 . 2 4 4 LEU HB3 H 1 1.5923 . . . . . . . B 4 LEU HB3 . 30093 2 17 . 2 . 2 4 4 LEU HG H 1 1.6442 . . . . . . . B 4 LEU HG . 30093 2 18 . 2 . 2 4 4 LEU HD11 H 1 0.8625 . . . . . . . B 4 LEU HD11 . 30093 2 19 . 2 . 2 4 4 LEU HD12 H 1 0.8625 . . . . . . . B 4 LEU HD12 . 30093 2 20 . 2 . 2 4 4 LEU HD13 H 1 0.8625 . . . . . . . B 4 LEU HD13 . 30093 2 21 . 2 . 2 4 4 LEU HD21 H 1 0.8947 . . . . . . . B 4 LEU HD21 . 30093 2 22 . 2 . 2 4 4 LEU HD22 H 1 0.8947 . . . . . . . B 4 LEU HD22 . 30093 2 23 . 2 . 2 4 4 LEU HD23 H 1 0.8947 . . . . . . . B 4 LEU HD23 . 30093 2 24 . 2 . 2 4 4 LEU C C 13 177.1479 . . . . . . . B 4 LEU C . 30093 2 25 . 2 . 2 4 4 LEU CA C 13 55.0936 . . . . . . . B 4 LEU CA . 30093 2 26 . 2 . 2 4 4 LEU CB C 13 42.5355 . . . . . . . B 4 LEU CB . 30093 2 27 . 2 . 2 4 4 LEU CG C 13 27.1037 . . . . . . . B 4 LEU CG . 30093 2 28 . 2 . 2 4 4 LEU CD1 C 13 24.1578 . . . . . . . B 4 LEU CD1 . 30093 2 29 . 2 . 2 4 4 LEU CD2 C 13 25.107 . . . . . . . B 4 LEU CD2 . 30093 2 30 . 2 . 2 4 4 LEU N N 15 121.8873 . . . . . . . B 4 LEU N . 30093 2 31 . 2 . 2 5 5 ARG H H 1 8.0867 . . . . . . . B 5 ARG H . 30093 2 32 . 2 . 2 5 5 ARG HA H 1 4.3507 . . . . . . . B 5 ARG HA . 30093 2 33 . 2 . 2 5 5 ARG HB2 H 1 1.7511 . . . . . . . B 5 ARG HB2 . 30093 2 34 . 2 . 2 5 5 ARG HB3 H 1 1.8168 . . . . . . . B 5 ARG HB3 . 30093 2 35 . 2 . 2 5 5 ARG HG2 H 1 1.6197 . . . . . . . B 5 ARG HG2 . 30093 2 36 . 2 . 2 5 5 ARG HG3 H 1 1.6197 . . . . . . . B 5 ARG HG3 . 30093 2 37 . 2 . 2 5 5 ARG HD2 H 1 3.1992 . . . . . . . B 5 ARG HD2 . 30093 2 38 . 2 . 2 5 5 ARG HD3 H 1 3.1992 . . . . . . . B 5 ARG HD3 . 30093 2 39 . 2 . 2 5 5 ARG C C 13 175.8462 . . . . . . . B 5 ARG C . 30093 2 40 . 2 . 2 5 5 ARG CA C 13 55.6377 . . . . . . . B 5 ARG CA . 30093 2 41 . 2 . 2 5 5 ARG CB C 13 31.0387 . . . . . . . B 5 ARG CB . 30093 2 42 . 2 . 2 5 5 ARG CG C 13 27.2721 . . . . . . . B 5 ARG CG . 30093 2 43 . 2 . 2 5 5 ARG CD C 13 43.3692 . . . . . . . B 5 ARG CD . 30093 2 44 . 2 . 2 5 5 ARG N N 15 121.9723 . . . . . . . B 5 ARG N . 30093 2 45 . 2 . 2 6 6 LYS H H 1 8.1918 . . . . . . . B 6 LYS H . 30093 2 46 . 2 . 2 6 6 LYS HA H 1 4.3285 . . . . . . . B 6 LYS HA . 30093 2 47 . 2 . 2 6 6 LYS HB2 H 1 1.6739 . . . . . . . B 6 LYS HB2 . 30093 2 48 . 2 . 2 6 6 LYS HB3 H 1 1.7726 . . . . . . . B 6 LYS HB3 . 30093 2 49 . 2 . 2 6 6 LYS HG2 H 1 1.3795 . . . . . . . B 6 LYS HG2 . 30093 2 50 . 2 . 2 6 6 LYS HG3 H 1 1.451 . . . . . . . B 6 LYS HG3 . 30093 2 51 . 2 . 2 6 6 LYS HD2 H 1 1.6676 . . . . . . . B 6 LYS HD2 . 30093 2 52 . 2 . 2 6 6 LYS HD3 H 1 1.6676 . . . . . . . B 6 LYS HD3 . 30093 2 53 . 2 . 2 6 6 LYS HE2 H 1 3.0014 . . . . . . . B 6 LYS HE2 . 30093 2 54 . 2 . 2 6 6 LYS HE3 H 1 3.0014 . . . . . . . B 6 LYS HE3 . 30093 2 55 . 2 . 2 6 6 LYS C C 13 175.9441 . . . . . . . B 6 LYS C . 30093 2 56 . 2 . 2 6 6 LYS CA C 13 56.1429 . . . . . . . B 6 LYS CA . 30093 2 57 . 2 . 2 6 6 LYS CB C 13 32.7802 . . . . . . . B 6 LYS CB . 30093 2 58 . 2 . 2 6 6 LYS CG C 13 24.8153 . . . . . . . B 6 LYS CG . 30093 2 59 . 2 . 2 6 6 LYS CD C 13 28.9362 . . . . . . . B 6 LYS CD . 30093 2 60 . 2 . 2 6 6 LYS CE C 13 42.0809 . . . . . . . B 6 LYS CE . 30093 2 61 . 2 . 2 6 6 LYS N N 15 122.6586 . . . . . . . B 6 LYS N . 30093 2 62 . 2 . 2 7 7 THR H H 1 7.7927 . . . . . . . B 7 THR H . 30093 2 63 . 2 . 2 7 7 THR HA H 1 4.4206 . . . . . . . B 7 THR HA . 30093 2 64 . 2 . 2 7 7 THR HB H 1 3.95 . . . . . . . B 7 THR HB . 30093 2 65 . 2 . 2 7 7 THR HG21 H 1 1.129 . . . . . . . B 7 THR HG21 . 30093 2 66 . 2 . 2 7 7 THR HG22 H 1 1.129 . . . . . . . B 7 THR HG22 . 30093 2 67 . 2 . 2 7 7 THR HG23 H 1 1.129 . . . . . . . B 7 THR HG23 . 30093 2 68 . 2 . 2 7 7 THR C C 13 173.2957 . . . . . . . B 7 THR C . 30093 2 69 . 2 . 2 7 7 THR CA C 13 62.1886 . . . . . . . B 7 THR CA . 30093 2 70 . 2 . 2 7 7 THR CB C 13 70.5241 . . . . . . . B 7 THR CB . 30093 2 71 . 2 . 2 7 7 THR CG2 C 13 22.0512 . . . . . . . B 7 THR CG2 . 30093 2 72 . 2 . 2 7 7 THR N N 15 117.0098 . . . . . . . B 7 THR N . 30093 2 73 . 2 . 2 8 8 ALA H H 1 8.1952 . . . . . . . B 8 ALA H . 30093 2 74 . 2 . 2 8 8 ALA HA H 1 4.8636 . . . . . . . B 8 ALA HA . 30093 2 75 . 2 . 2 8 8 ALA HB1 H 1 1.5669 . . . . . . . B 8 ALA HB1 . 30093 2 76 . 2 . 2 8 8 ALA HB2 H 1 1.5669 . . . . . . . B 8 ALA HB2 . 30093 2 77 . 2 . 2 8 8 ALA HB3 H 1 1.5669 . . . . . . . B 8 ALA HB3 . 30093 2 78 . 2 . 2 8 8 ALA C C 13 176.7292 . . . . . . . B 8 ALA C . 30093 2 79 . 2 . 2 8 8 ALA CA C 13 51.2762 . . . . . . . B 8 ALA CA . 30093 2 80 . 2 . 2 8 8 ALA CB C 13 21.834 . . . . . . . B 8 ALA CB . 30093 2 81 . 2 . 2 8 8 ALA N N 15 125.9357 . . . . . . . B 8 ALA N . 30093 2 82 . 2 . 2 9 9 VAL H H 1 8.807 . . . . . . . B 9 VAL H . 30093 2 83 . 2 . 2 9 9 VAL HA H 1 4.7802 . . . . . . . B 9 VAL HA . 30093 2 84 . 2 . 2 9 9 VAL HB H 1 2.0101 . . . . . . . B 9 VAL HB . 30093 2 85 . 2 . 2 9 9 VAL HG11 H 1 0.8948 . . . . . . . B 9 VAL HG11 . 30093 2 86 . 2 . 2 9 9 VAL HG12 H 1 0.8948 . . . . . . . B 9 VAL HG12 . 30093 2 87 . 2 . 2 9 9 VAL HG13 H 1 0.8948 . . . . . . . B 9 VAL HG13 . 30093 2 88 . 2 . 2 9 9 VAL HG21 H 1 1.0418 . . . . . . . B 9 VAL HG21 . 30093 2 89 . 2 . 2 9 9 VAL HG22 H 1 1.0418 . . . . . . . B 9 VAL HG22 . 30093 2 90 . 2 . 2 9 9 VAL HG23 H 1 1.0418 . . . . . . . B 9 VAL HG23 . 30093 2 91 . 2 . 2 9 9 VAL C C 13 175.6758 . . . . . . . B 9 VAL C . 30093 2 92 . 2 . 2 9 9 VAL CA C 13 62.0168 . . . . . . . B 9 VAL CA . 30093 2 93 . 2 . 2 9 9 VAL CB C 13 34.4842 . . . . . . . B 9 VAL CB . 30093 2 94 . 2 . 2 9 9 VAL CG1 C 13 21.2626 . . . . . . . B 9 VAL CG1 . 30093 2 95 . 2 . 2 9 9 VAL CG2 C 13 21.5416 . . . . . . . B 9 VAL CG2 . 30093 2 96 . 2 . 2 9 9 VAL N N 15 121.0927 . . . . . . . B 9 VAL N . 30093 2 97 . 2 . 2 10 10 LEU H H 1 8.689 . . . . . . . B 10 LEU H . 30093 2 98 . 2 . 2 10 10 LEU HA H 1 5.071 . . . . . . . B 10 LEU HA . 30093 2 99 . 2 . 2 10 10 LEU HB2 H 1 1.1845 . . . . . . . B 10 LEU HB2 . 30093 2 100 . 2 . 2 10 10 LEU HB3 H 1 1.6577 . . . . . . . B 10 LEU HB3 . 30093 2 101 . 2 . 2 10 10 LEU HG H 1 1.4337 . . . . . . . B 10 LEU HG . 30093 2 102 . 2 . 2 10 10 LEU HD11 H 1 0.4557 . . . . . . . B 10 LEU HD11 . 30093 2 103 . 2 . 2 10 10 LEU HD12 H 1 0.4557 . . . . . . . B 10 LEU HD12 . 30093 2 104 . 2 . 2 10 10 LEU HD13 H 1 0.4557 . . . . . . . B 10 LEU HD13 . 30093 2 105 . 2 . 2 10 10 LEU HD21 H 1 0.0975 . . . . . . . B 10 LEU HD21 . 30093 2 106 . 2 . 2 10 10 LEU HD22 H 1 0.0975 . . . . . . . B 10 LEU HD22 . 30093 2 107 . 2 . 2 10 10 LEU HD23 H 1 0.0975 . . . . . . . B 10 LEU HD23 . 30093 2 108 . 2 . 2 10 10 LEU C C 13 175.1492 . . . . . . . B 10 LEU C . 30093 2 109 . 2 . 2 10 10 LEU CA C 13 52.5768 . . . . . . . B 10 LEU CA . 30093 2 110 . 2 . 2 10 10 LEU CB C 13 44.4828 . . . . . . . B 10 LEU CB . 30093 2 111 . 2 . 2 10 10 LEU CG C 13 26.5562 . . . . . . . B 10 LEU CG . 30093 2 112 . 2 . 2 10 10 LEU CD1 C 13 22.1537 . . . . . . . B 10 LEU CD1 . 30093 2 113 . 2 . 2 10 10 LEU CD2 C 13 25.8515 . . . . . . . B 10 LEU CD2 . 30093 2 114 . 2 . 2 10 10 LEU N N 15 126.9318 . . . . . . . B 10 LEU N . 30093 2 115 . 2 . 2 11 11 LYS H H 1 9.2584 . . . . . . . B 11 LYS H . 30093 2 116 . 2 . 2 11 11 LYS HA H 1 5.0971 . . . . . . . B 11 LYS HA . 30093 2 117 . 2 . 2 11 11 LYS HB2 H 1 1.2118 . . . . . . . B 11 LYS HB2 . 30093 2 118 . 2 . 2 11 11 LYS HB3 H 1 1.461 . . . . . . . B 11 LYS HB3 . 30093 2 119 . 2 . 2 11 11 LYS HG2 H 1 0.7207 . . . . . . . B 11 LYS HG2 . 30093 2 120 . 2 . 2 11 11 LYS HG3 H 1 1.1167 . . . . . . . B 11 LYS HG3 . 30093 2 121 . 2 . 2 11 11 LYS HD2 H 1 1.4678 . . . . . . . B 11 LYS HD2 . 30093 2 122 . 2 . 2 11 11 LYS HD3 H 1 1.5537 . . . . . . . B 11 LYS HD3 . 30093 2 123 . 2 . 2 11 11 LYS HE2 H 1 2.6023 . . . . . . . B 11 LYS HE2 . 30093 2 124 . 2 . 2 11 11 LYS HE3 H 1 2.6765 . . . . . . . B 11 LYS HE3 . 30093 2 125 . 2 . 2 11 11 LYS C C 13 173.6337 . . . . . . . B 11 LYS C . 30093 2 126 . 2 . 2 11 11 LYS CA C 13 54.6758 . . . . . . . B 11 LYS CA . 30093 2 127 . 2 . 2 11 11 LYS CB C 13 36.4672 . . . . . . . B 11 LYS CB . 30093 2 128 . 2 . 2 11 11 LYS CG C 13 25.7305 . . . . . . . B 11 LYS CG . 30093 2 129 . 2 . 2 11 11 LYS CD C 13 30.6185 . . . . . . . B 11 LYS CD . 30093 2 130 . 2 . 2 11 11 LYS CE C 13 41.6803 . . . . . . . B 11 LYS CE . 30093 2 131 . 2 . 2 11 11 LYS N N 15 121.1075 . . . . . . . B 11 LYS N . 30093 2 132 . 2 . 2 12 12 LEU H H 1 9.123 . . . . . . . B 12 LEU H . 30093 2 133 . 2 . 2 12 12 LEU HA H 1 5.1593 . . . . . . . B 12 LEU HA . 30093 2 134 . 2 . 2 12 12 LEU HB2 H 1 1.1166 . . . . . . . B 12 LEU HB2 . 30093 2 135 . 2 . 2 12 12 LEU HB3 H 1 1.765 . . . . . . . B 12 LEU HB3 . 30093 2 136 . 2 . 2 12 12 LEU HG H 1 1.4204 . . . . . . . B 12 LEU HG . 30093 2 137 . 2 . 2 12 12 LEU HD11 H 1 0.7887 . . . . . . . B 12 LEU HD11 . 30093 2 138 . 2 . 2 12 12 LEU HD12 H 1 0.7887 . . . . . . . B 12 LEU HD12 . 30093 2 139 . 2 . 2 12 12 LEU HD13 H 1 0.7887 . . . . . . . B 12 LEU HD13 . 30093 2 140 . 2 . 2 12 12 LEU HD21 H 1 0.7521 . . . . . . . B 12 LEU HD21 . 30093 2 141 . 2 . 2 12 12 LEU HD22 H 1 0.7521 . . . . . . . B 12 LEU HD22 . 30093 2 142 . 2 . 2 12 12 LEU HD23 H 1 0.7521 . . . . . . . B 12 LEU HD23 . 30093 2 143 . 2 . 2 12 12 LEU C C 13 173.7746 . . . . . . . B 12 LEU C . 30093 2 144 . 2 . 2 12 12 LEU CA C 13 52.8799 . . . . . . . B 12 LEU CA . 30093 2 145 . 2 . 2 12 12 LEU CB C 13 45.2497 . . . . . . . B 12 LEU CB . 30093 2 146 . 2 . 2 12 12 LEU CG C 13 27.3498 . . . . . . . B 12 LEU CG . 30093 2 147 . 2 . 2 12 12 LEU CD1 C 13 23.2225 . . . . . . . B 12 LEU CD1 . 30093 2 148 . 2 . 2 12 12 LEU CD2 C 13 26.9002 . . . . . . . B 12 LEU CD2 . 30093 2 149 . 2 . 2 12 12 LEU N N 15 125.8453 . . . . . . . B 12 LEU N . 30093 2 150 . 2 . 2 13 13 TYR H H 1 9.1908 . . . . . . . B 13 TYR H . 30093 2 151 . 2 . 2 13 13 TYR HA H 1 5.3731 . . . . . . . B 13 TYR HA . 30093 2 152 . 2 . 2 13 13 TYR HB2 H 1 2.6315 . . . . . . . B 13 TYR HB2 . 30093 2 153 . 2 . 2 13 13 TYR HB3 H 1 2.8218 . . . . . . . B 13 TYR HB3 . 30093 2 154 . 2 . 2 13 13 TYR C C 13 175.863 . . . . . . . B 13 TYR C . 30093 2 155 . 2 . 2 13 13 TYR CA C 13 56.6001 . . . . . . . B 13 TYR CA . 30093 2 156 . 2 . 2 13 13 TYR CB C 13 39.5646 . . . . . . . B 13 TYR CB . 30093 2 157 . 2 . 2 13 13 TYR N N 15 126.3637 . . . . . . . B 13 TYR N . 30093 2 158 . 2 . 2 14 14 VAL H H 1 8.8967 . . . . . . . B 14 VAL H . 30093 2 159 . 2 . 2 14 14 VAL HA H 1 4.7574 . . . . . . . B 14 VAL HA . 30093 2 160 . 2 . 2 14 14 VAL HB H 1 2.2113 . . . . . . . B 14 VAL HB . 30093 2 161 . 2 . 2 14 14 VAL HG11 H 1 0.8305 . . . . . . . B 14 VAL HG11 . 30093 2 162 . 2 . 2 14 14 VAL HG12 H 1 0.8305 . . . . . . . B 14 VAL HG12 . 30093 2 163 . 2 . 2 14 14 VAL HG13 H 1 0.8305 . . . . . . . B 14 VAL HG13 . 30093 2 164 . 2 . 2 14 14 VAL HG21 H 1 0.6472 . . . . . . . B 14 VAL HG21 . 30093 2 165 . 2 . 2 14 14 VAL HG22 H 1 0.6472 . . . . . . . B 14 VAL HG22 . 30093 2 166 . 2 . 2 14 14 VAL HG23 H 1 0.6472 . . . . . . . B 14 VAL HG23 . 30093 2 167 . 2 . 2 14 14 VAL C C 13 173.4952 . . . . . . . B 14 VAL C . 30093 2 168 . 2 . 2 14 14 VAL CA C 13 58.4814 . . . . . . . B 14 VAL CA . 30093 2 169 . 2 . 2 14 14 VAL CB C 13 35.542 . . . . . . . B 14 VAL CB . 30093 2 170 . 2 . 2 14 14 VAL CG1 C 13 21.6894 . . . . . . . B 14 VAL CG1 . 30093 2 171 . 2 . 2 14 14 VAL CG2 C 13 17.1609 . . . . . . . B 14 VAL CG2 . 30093 2 172 . 2 . 2 14 14 VAL N N 15 114.0682 . . . . . . . B 14 VAL N . 30093 2 173 . 2 . 2 15 15 ALA H H 1 8.2775 . . . . . . . B 15 ALA H . 30093 2 174 . 2 . 2 15 15 ALA HA H 1 4.8659 . . . . . . . B 15 ALA HA . 30093 2 175 . 2 . 2 15 15 ALA HB1 H 1 1.1978 . . . . . . . B 15 ALA HB1 . 30093 2 176 . 2 . 2 15 15 ALA HB2 H 1 1.1978 . . . . . . . B 15 ALA HB2 . 30093 2 177 . 2 . 2 15 15 ALA HB3 H 1 1.1978 . . . . . . . B 15 ALA HB3 . 30093 2 178 . 2 . 2 15 15 ALA C C 13 176.2482 . . . . . . . B 15 ALA C . 30093 2 179 . 2 . 2 15 15 ALA CA C 13 50.2965 . . . . . . . B 15 ALA CA . 30093 2 180 . 2 . 2 15 15 ALA CB C 13 19.2587 . . . . . . . B 15 ALA CB . 30093 2 181 . 2 . 2 15 15 ALA N N 15 123.6747 . . . . . . . B 15 ALA N . 30093 2 182 . 2 . 2 16 16 GLY H H 1 8.9844 . . . . . . . B 16 GLY H . 30093 2 183 . 2 . 2 16 16 GLY HA2 H 1 3.6757 . . . . . . . B 16 GLY HA2 . 30093 2 184 . 2 . 2 16 16 GLY HA3 H 1 3.8469 . . . . . . . B 16 GLY HA3 . 30093 2 185 . 2 . 2 16 16 GLY C C 13 172.779 . . . . . . . B 16 GLY C . 30093 2 186 . 2 . 2 16 16 GLY CA C 13 45.9785 . . . . . . . B 16 GLY CA . 30093 2 187 . 2 . 2 16 16 GLY N N 15 114.2704 . . . . . . . B 16 GLY N . 30093 2 188 . 2 . 2 17 17 ASN H H 1 8.5722 . . . . . . . B 17 ASN H . 30093 2 189 . 2 . 2 17 17 ASN HA H 1 4.8554 . . . . . . . B 17 ASN HA . 30093 2 190 . 2 . 2 17 17 ASN HB2 H 1 2.4476 . . . . . . . B 17 ASN HB2 . 30093 2 191 . 2 . 2 17 17 ASN HB3 H 1 2.79 . . . . . . . B 17 ASN HB3 . 30093 2 192 . 2 . 2 17 17 ASN C C 13 174.8573 . . . . . . . B 17 ASN C . 30093 2 193 . 2 . 2 17 17 ASN CA C 13 51.7721 . . . . . . . B 17 ASN CA . 30093 2 194 . 2 . 2 17 17 ASN CB C 13 38.4993 . . . . . . . B 17 ASN CB . 30093 2 195 . 2 . 2 17 17 ASN N N 15 122.7615 . . . . . . . B 17 ASN N . 30093 2 196 . 2 . 2 18 18 THR H H 1 7.5078 . . . . . . . B 18 THR H . 30093 2 197 . 2 . 2 18 18 THR HA H 1 4.5723 . . . . . . . B 18 THR HA . 30093 2 198 . 2 . 2 18 18 THR HB H 1 4.6338 . . . . . . . B 18 THR HB . 30093 2 199 . 2 . 2 18 18 THR HG21 H 1 1.406 . . . . . . . B 18 THR HG21 . 30093 2 200 . 2 . 2 18 18 THR HG22 H 1 1.406 . . . . . . . B 18 THR HG22 . 30093 2 201 . 2 . 2 18 18 THR HG23 H 1 1.406 . . . . . . . B 18 THR HG23 . 30093 2 202 . 2 . 2 18 18 THR C C 13 173.9658 . . . . . . . B 18 THR C . 30093 2 203 . 2 . 2 18 18 THR CA C 13 60.1543 . . . . . . . B 18 THR CA . 30093 2 204 . 2 . 2 18 18 THR CB C 13 68.9357 . . . . . . . B 18 THR CB . 30093 2 205 . 2 . 2 18 18 THR CG2 C 13 21.96 . . . . . . . B 18 THR CG2 . 30093 2 206 . 2 . 2 18 18 THR N N 15 111.8358 . . . . . . . B 18 THR N . 30093 2 207 . 2 . 2 19 19 PRO HA H 1 4.2339 . . . . . . . B 19 PRO HA . 30093 2 208 . 2 . 2 19 19 PRO HB2 H 1 1.9684 . . . . . . . B 19 PRO HB2 . 30093 2 209 . 2 . 2 19 19 PRO HB3 H 1 2.397 . . . . . . . B 19 PRO HB3 . 30093 2 210 . 2 . 2 19 19 PRO HG2 H 1 2.0852 . . . . . . . B 19 PRO HG2 . 30093 2 211 . 2 . 2 19 19 PRO HG3 H 1 2.2561 . . . . . . . B 19 PRO HG3 . 30093 2 212 . 2 . 2 19 19 PRO HD2 H 1 3.8026 . . . . . . . B 19 PRO HD2 . 30093 2 213 . 2 . 2 19 19 PRO HD3 H 1 3.9162 . . . . . . . B 19 PRO HD3 . 30093 2 214 . 2 . 2 19 19 PRO CA C 13 66.4771 . . . . . . . B 19 PRO CA . 30093 2 215 . 2 . 2 19 19 PRO CB C 13 31.8387 . . . . . . . B 19 PRO CB . 30093 2 216 . 2 . 2 19 19 PRO CG C 13 27.85 . . . . . . . B 19 PRO CG . 30093 2 217 . 2 . 2 19 19 PRO CD C 13 50.4195 . . . . . . . B 19 PRO CD . 30093 2 218 . 2 . 2 20 20 ASN HA H 1 4.4725 . . . . . . . B 20 ASN HA . 30093 2 219 . 2 . 2 20 20 ASN HB2 H 1 2.7699 . . . . . . . B 20 ASN HB2 . 30093 2 220 . 2 . 2 20 20 ASN HB3 H 1 2.8909 . . . . . . . B 20 ASN HB3 . 30093 2 221 . 2 . 2 20 20 ASN C C 13 178.4686 . . . . . . . B 20 ASN C . 30093 2 222 . 2 . 2 20 20 ASN CA C 13 56.0752 . . . . . . . B 20 ASN CA . 30093 2 223 . 2 . 2 20 20 ASN CB C 13 37.5417 . . . . . . . B 20 ASN CB . 30093 2 224 . 2 . 2 21 21 SER H H 1 7.8025 . . . . . . . B 21 SER H . 30093 2 225 . 2 . 2 21 21 SER HA H 1 4.1423 . . . . . . . B 21 SER HA . 30093 2 226 . 2 . 2 21 21 SER HB2 H 1 3.8003 . . . . . . . B 21 SER HB2 . 30093 2 227 . 2 . 2 21 21 SER HB3 H 1 3.984 . . . . . . . B 21 SER HB3 . 30093 2 228 . 2 . 2 21 21 SER C C 13 175.2894 . . . . . . . B 21 SER C . 30093 2 229 . 2 . 2 21 21 SER CA C 13 62.9898 . . . . . . . B 21 SER CA . 30093 2 230 . 2 . 2 21 21 SER CB C 13 63.2493 . . . . . . . B 21 SER CB . 30093 2 231 . 2 . 2 21 21 SER N N 15 118.845 . . . . . . . B 21 SER N . 30093 2 232 . 2 . 2 22 22 VAL H H 1 8.1959 . . . . . . . B 22 VAL H . 30093 2 233 . 2 . 2 22 22 VAL HA H 1 3.5611 . . . . . . . B 22 VAL HA . 30093 2 234 . 2 . 2 22 22 VAL HB H 1 2.0056 . . . . . . . B 22 VAL HB . 30093 2 235 . 2 . 2 22 22 VAL HG11 H 1 0.9128 . . . . . . . B 22 VAL HG11 . 30093 2 236 . 2 . 2 22 22 VAL HG12 H 1 0.9128 . . . . . . . B 22 VAL HG12 . 30093 2 237 . 2 . 2 22 22 VAL HG13 H 1 0.9128 . . . . . . . B 22 VAL HG13 . 30093 2 238 . 2 . 2 22 22 VAL HG21 H 1 0.9055 . . . . . . . B 22 VAL HG21 . 30093 2 239 . 2 . 2 22 22 VAL HG22 H 1 0.9055 . . . . . . . B 22 VAL HG22 . 30093 2 240 . 2 . 2 22 22 VAL HG23 H 1 0.9055 . . . . . . . B 22 VAL HG23 . 30093 2 241 . 2 . 2 22 22 VAL C C 13 177.8486 . . . . . . . B 22 VAL C . 30093 2 242 . 2 . 2 22 22 VAL CA C 13 66.8319 . . . . . . . B 22 VAL CA . 30093 2 243 . 2 . 2 22 22 VAL CB C 13 31.6275 . . . . . . . B 22 VAL CB . 30093 2 244 . 2 . 2 22 22 VAL CG1 C 13 23.0347 . . . . . . . B 22 VAL CG1 . 30093 2 245 . 2 . 2 22 22 VAL CG2 C 13 21.3572 . . . . . . . B 22 VAL CG2 . 30093 2 246 . 2 . 2 22 22 VAL N N 15 122.5432 . . . . . . . B 22 VAL N . 30093 2 247 . 2 . 2 23 23 ARG H H 1 8.1639 . . . . . . . B 23 ARG H . 30093 2 248 . 2 . 2 23 23 ARG HA H 1 4.0322 . . . . . . . B 23 ARG HA . 30093 2 249 . 2 . 2 23 23 ARG HB2 H 1 1.9157 . . . . . . . B 23 ARG HB2 . 30093 2 250 . 2 . 2 23 23 ARG HB3 H 1 1.9157 . . . . . . . B 23 ARG HB3 . 30093 2 251 . 2 . 2 23 23 ARG HG2 H 1 1.6382 . . . . . . . B 23 ARG HG2 . 30093 2 252 . 2 . 2 23 23 ARG HG3 H 1 1.8024 . . . . . . . B 23 ARG HG3 . 30093 2 253 . 2 . 2 23 23 ARG HD2 H 1 3.2537 . . . . . . . B 23 ARG HD2 . 30093 2 254 . 2 . 2 23 23 ARG HD3 H 1 3.2537 . . . . . . . B 23 ARG HD3 . 30093 2 255 . 2 . 2 23 23 ARG C C 13 179.4619 . . . . . . . B 23 ARG C . 30093 2 256 . 2 . 2 23 23 ARG CA C 13 59.7397 . . . . . . . B 23 ARG CA . 30093 2 257 . 2 . 2 23 23 ARG CB C 13 30.2556 . . . . . . . B 23 ARG CB . 30093 2 258 . 2 . 2 23 23 ARG CG C 13 27.7572 . . . . . . . B 23 ARG CG . 30093 2 259 . 2 . 2 23 23 ARG CD C 13 43.5325 . . . . . . . B 23 ARG CD . 30093 2 260 . 2 . 2 23 23 ARG N N 15 118.9549 . . . . . . . B 23 ARG N . 30093 2 261 . 2 . 2 24 24 ALA H H 1 7.5412 . . . . . . . B 24 ALA H . 30093 2 262 . 2 . 2 24 24 ALA HA H 1 4.0529 . . . . . . . B 24 ALA HA . 30093 2 263 . 2 . 2 24 24 ALA HB1 H 1 1.4337 . . . . . . . B 24 ALA HB1 . 30093 2 264 . 2 . 2 24 24 ALA HB2 H 1 1.4337 . . . . . . . B 24 ALA HB2 . 30093 2 265 . 2 . 2 24 24 ALA HB3 H 1 1.4337 . . . . . . . B 24 ALA HB3 . 30093 2 266 . 2 . 2 24 24 ALA C C 13 178.4076 . . . . . . . B 24 ALA C . 30093 2 267 . 2 . 2 24 24 ALA CA C 13 54.924 . . . . . . . B 24 ALA CA . 30093 2 268 . 2 . 2 24 24 ALA CB C 13 18.5177 . . . . . . . B 24 ALA CB . 30093 2 269 . 2 . 2 24 24 ALA N N 15 122.3276 . . . . . . . B 24 ALA N . 30093 2 270 . 2 . 2 25 25 LEU H H 1 7.819 . . . . . . . B 25 LEU H . 30093 2 271 . 2 . 2 25 25 LEU HA H 1 3.7688 . . . . . . . B 25 LEU HA . 30093 2 272 . 2 . 2 25 25 LEU HB2 H 1 1.4118 . . . . . . . B 25 LEU HB2 . 30093 2 273 . 2 . 2 25 25 LEU HB3 H 1 1.4525 . . . . . . . B 25 LEU HB3 . 30093 2 274 . 2 . 2 25 25 LEU HG H 1 1.5125 . . . . . . . B 25 LEU HG . 30093 2 275 . 2 . 2 25 25 LEU HD11 H 1 0.8551 . . . . . . . B 25 LEU HD11 . 30093 2 276 . 2 . 2 25 25 LEU HD12 H 1 0.8551 . . . . . . . B 25 LEU HD12 . 30093 2 277 . 2 . 2 25 25 LEU HD13 H 1 0.8551 . . . . . . . B 25 LEU HD13 . 30093 2 278 . 2 . 2 25 25 LEU HD21 H 1 0.8578 . . . . . . . B 25 LEU HD21 . 30093 2 279 . 2 . 2 25 25 LEU HD22 H 1 0.8578 . . . . . . . B 25 LEU HD22 . 30093 2 280 . 2 . 2 25 25 LEU HD23 H 1 0.8578 . . . . . . . B 25 LEU HD23 . 30093 2 281 . 2 . 2 25 25 LEU C C 13 177.5375 . . . . . . . B 25 LEU C . 30093 2 282 . 2 . 2 25 25 LEU CA C 13 58.389 . . . . . . . B 25 LEU CA . 30093 2 283 . 2 . 2 25 25 LEU CB C 13 42.1087 . . . . . . . B 25 LEU CB . 30093 2 284 . 2 . 2 25 25 LEU CG C 13 26.9407 . . . . . . . B 25 LEU CG . 30093 2 285 . 2 . 2 25 25 LEU CD1 C 13 24.5115 . . . . . . . B 25 LEU CD1 . 30093 2 286 . 2 . 2 25 25 LEU CD2 C 13 26.2202 . . . . . . . B 25 LEU CD2 . 30093 2 287 . 2 . 2 25 25 LEU N N 15 117.7264 . . . . . . . B 25 LEU N . 30093 2 288 . 2 . 2 26 26 LYS H H 1 8.3814 . . . . . . . B 26 LYS H . 30093 2 289 . 2 . 2 26 26 LYS HA H 1 3.8107 . . . . . . . B 26 LYS HA . 30093 2 290 . 2 . 2 26 26 LYS HB2 H 1 1.8621 . . . . . . . B 26 LYS HB2 . 30093 2 291 . 2 . 2 26 26 LYS HB3 H 1 1.8621 . . . . . . . B 26 LYS HB3 . 30093 2 292 . 2 . 2 26 26 LYS HG2 H 1 1.3253 . . . . . . . B 26 LYS HG2 . 30093 2 293 . 2 . 2 26 26 LYS HG3 H 1 1.6706 . . . . . . . B 26 LYS HG3 . 30093 2 294 . 2 . 2 26 26 LYS HD2 H 1 1.6872 . . . . . . . B 26 LYS HD2 . 30093 2 295 . 2 . 2 26 26 LYS HD3 H 1 1.6872 . . . . . . . B 26 LYS HD3 . 30093 2 296 . 2 . 2 26 26 LYS HE2 H 1 2.9461 . . . . . . . B 26 LYS HE2 . 30093 2 297 . 2 . 2 26 26 LYS HE3 H 1 3.007 . . . . . . . B 26 LYS HE3 . 30093 2 298 . 2 . 2 26 26 LYS C C 13 179.636 . . . . . . . B 26 LYS C . 30093 2 299 . 2 . 2 26 26 LYS CA C 13 60.2707 . . . . . . . B 26 LYS CA . 30093 2 300 . 2 . 2 26 26 LYS CB C 13 32.7081 . . . . . . . B 26 LYS CB . 30093 2 301 . 2 . 2 26 26 LYS CG C 13 25.9408 . . . . . . . B 26 LYS CG . 30093 2 302 . 2 . 2 26 26 LYS CD C 13 29.6511 . . . . . . . B 26 LYS CD . 30093 2 303 . 2 . 2 26 26 LYS CE C 13 41.6473 . . . . . . . B 26 LYS CE . 30093 2 304 . 2 . 2 26 26 LYS N N 15 116.4848 . . . . . . . B 26 LYS N . 30093 2 305 . 2 . 2 27 27 THR H H 1 8.1949 . . . . . . . B 27 THR H . 30093 2 306 . 2 . 2 27 27 THR HA H 1 3.9464 . . . . . . . B 27 THR HA . 30093 2 307 . 2 . 2 27 27 THR HB H 1 4.3557 . . . . . . . B 27 THR HB . 30093 2 308 . 2 . 2 27 27 THR HG21 H 1 1.1491 . . . . . . . B 27 THR HG21 . 30093 2 309 . 2 . 2 27 27 THR HG22 H 1 1.1491 . . . . . . . B 27 THR HG22 . 30093 2 310 . 2 . 2 27 27 THR HG23 H 1 1.1491 . . . . . . . B 27 THR HG23 . 30093 2 311 . 2 . 2 27 27 THR C C 13 176.3251 . . . . . . . B 27 THR C . 30093 2 312 . 2 . 2 27 27 THR CA C 13 66.9461 . . . . . . . B 27 THR CA . 30093 2 313 . 2 . 2 27 27 THR CB C 13 68.6789 . . . . . . . B 27 THR CB . 30093 2 314 . 2 . 2 27 27 THR CG2 C 13 20.8303 . . . . . . . B 27 THR CG2 . 30093 2 315 . 2 . 2 27 27 THR N N 15 116.2999 . . . . . . . B 27 THR N . 30093 2 316 . 2 . 2 28 28 LEU H H 1 8.3561 . . . . . . . B 28 LEU H . 30093 2 317 . 2 . 2 28 28 LEU HA H 1 3.9432 . . . . . . . B 28 LEU HA . 30093 2 318 . 2 . 2 28 28 LEU HB2 H 1 1.5046 . . . . . . . B 28 LEU HB2 . 30093 2 319 . 2 . 2 28 28 LEU HB3 H 1 1.8195 . . . . . . . B 28 LEU HB3 . 30093 2 320 . 2 . 2 28 28 LEU HG H 1 1.6403 . . . . . . . B 28 LEU HG . 30093 2 321 . 2 . 2 28 28 LEU HD11 H 1 0.8146 . . . . . . . B 28 LEU HD11 . 30093 2 322 . 2 . 2 28 28 LEU HD12 H 1 0.8146 . . . . . . . B 28 LEU HD12 . 30093 2 323 . 2 . 2 28 28 LEU HD13 H 1 0.8146 . . . . . . . B 28 LEU HD13 . 30093 2 324 . 2 . 2 28 28 LEU HD21 H 1 0.8343 . . . . . . . B 28 LEU HD21 . 30093 2 325 . 2 . 2 28 28 LEU HD22 H 1 0.8343 . . . . . . . B 28 LEU HD22 . 30093 2 326 . 2 . 2 28 28 LEU HD23 H 1 0.8343 . . . . . . . B 28 LEU HD23 . 30093 2 327 . 2 . 2 28 28 LEU C C 13 178.1285 . . . . . . . B 28 LEU C . 30093 2 328 . 2 . 2 28 28 LEU CA C 13 57.8031 . . . . . . . B 28 LEU CA . 30093 2 329 . 2 . 2 28 28 LEU CB C 13 41.6845 . . . . . . . B 28 LEU CB . 30093 2 330 . 2 . 2 28 28 LEU CG C 13 27.7132 . . . . . . . B 28 LEU CG . 30093 2 331 . 2 . 2 28 28 LEU CD1 C 13 25.5258 . . . . . . . B 28 LEU CD1 . 30093 2 332 . 2 . 2 28 28 LEU CD2 C 13 26.93 . . . . . . . B 28 LEU CD2 . 30093 2 333 . 2 . 2 28 28 LEU N N 15 121.1301 . . . . . . . B 28 LEU N . 30093 2 334 . 2 . 2 29 29 ALA H H 1 8.4223 . . . . . . . B 29 ALA H . 30093 2 335 . 2 . 2 29 29 ALA HA H 1 3.7197 . . . . . . . B 29 ALA HA . 30093 2 336 . 2 . 2 29 29 ALA HB1 H 1 1.2569 . . . . . . . B 29 ALA HB1 . 30093 2 337 . 2 . 2 29 29 ALA HB2 H 1 1.2569 . . . . . . . B 29 ALA HB2 . 30093 2 338 . 2 . 2 29 29 ALA HB3 H 1 1.2569 . . . . . . . B 29 ALA HB3 . 30093 2 339 . 2 . 2 29 29 ALA C C 13 178.3191 . . . . . . . B 29 ALA C . 30093 2 340 . 2 . 2 29 29 ALA CA C 13 56.294 . . . . . . . B 29 ALA CA . 30093 2 341 . 2 . 2 29 29 ALA CB C 13 17.2342 . . . . . . . B 29 ALA CB . 30093 2 342 . 2 . 2 29 29 ALA N N 15 119.2147 . . . . . . . B 29 ALA N . 30093 2 343 . 2 . 2 30 30 ASN H H 1 7.4502 . . . . . . . B 30 ASN H . 30093 2 344 . 2 . 2 30 30 ASN HA H 1 4.5057 . . . . . . . B 30 ASN HA . 30093 2 345 . 2 . 2 30 30 ASN HB2 H 1 2.889 . . . . . . . B 30 ASN HB2 . 30093 2 346 . 2 . 2 30 30 ASN HB3 H 1 3.0476 . . . . . . . B 30 ASN HB3 . 30093 2 347 . 2 . 2 30 30 ASN C C 13 177.421 . . . . . . . B 30 ASN C . 30093 2 348 . 2 . 2 30 30 ASN CA C 13 56.1467 . . . . . . . B 30 ASN CA . 30093 2 349 . 2 . 2 30 30 ASN CB C 13 39.2139 . . . . . . . B 30 ASN CB . 30093 2 350 . 2 . 2 30 30 ASN N N 15 113.5341 . . . . . . . B 30 ASN N . 30093 2 351 . 2 . 2 31 31 ILE H H 1 7.9914 . . . . . . . B 31 ILE H . 30093 2 352 . 2 . 2 31 31 ILE HA H 1 3.9339 . . . . . . . B 31 ILE HA . 30093 2 353 . 2 . 2 31 31 ILE HB H 1 1.9274 . . . . . . . B 31 ILE HB . 30093 2 354 . 2 . 2 31 31 ILE HG12 H 1 1.1354 . . . . . . . B 31 ILE HG12 . 30093 2 355 . 2 . 2 31 31 ILE HG13 H 1 1.6292 . . . . . . . B 31 ILE HG13 . 30093 2 356 . 2 . 2 31 31 ILE HG21 H 1 0.9036 . . . . . . . B 31 ILE HG21 . 30093 2 357 . 2 . 2 31 31 ILE HG22 H 1 0.9036 . . . . . . . B 31 ILE HG22 . 30093 2 358 . 2 . 2 31 31 ILE HG23 H 1 0.9036 . . . . . . . B 31 ILE HG23 . 30093 2 359 . 2 . 2 31 31 ILE HD11 H 1 0.7817 . . . . . . . B 31 ILE HD11 . 30093 2 360 . 2 . 2 31 31 ILE HD12 H 1 0.7817 . . . . . . . B 31 ILE HD12 . 30093 2 361 . 2 . 2 31 31 ILE HD13 H 1 0.7817 . . . . . . . B 31 ILE HD13 . 30093 2 362 . 2 . 2 31 31 ILE C C 13 178.5427 . . . . . . . B 31 ILE C . 30093 2 363 . 2 . 2 31 31 ILE CA C 13 65.0688 . . . . . . . B 31 ILE CA . 30093 2 364 . 2 . 2 31 31 ILE CB C 13 38.5891 . . . . . . . B 31 ILE CB . 30093 2 365 . 2 . 2 31 31 ILE CG1 C 13 27.8688 . . . . . . . B 31 ILE CG1 . 30093 2 366 . 2 . 2 31 31 ILE CG2 C 13 17.7186 . . . . . . . B 31 ILE CG2 . 30093 2 367 . 2 . 2 31 31 ILE CD1 C 13 13.9803 . . . . . . . B 31 ILE CD1 . 30093 2 368 . 2 . 2 31 31 ILE N N 15 119.9377 . . . . . . . B 31 ILE N . 30093 2 369 . 2 . 2 32 32 LEU H H 1 8.6089 . . . . . . . B 32 LEU H . 30093 2 370 . 2 . 2 32 32 LEU HA H 1 4.183 . . . . . . . B 32 LEU HA . 30093 2 371 . 2 . 2 32 32 LEU HB2 H 1 1.6866 . . . . . . . B 32 LEU HB2 . 30093 2 372 . 2 . 2 32 32 LEU HB3 H 1 1.762 . . . . . . . B 32 LEU HB3 . 30093 2 373 . 2 . 2 32 32 LEU HG H 1 2.0111 . . . . . . . B 32 LEU HG . 30093 2 374 . 2 . 2 32 32 LEU HD11 H 1 0.7246 . . . . . . . B 32 LEU HD11 . 30093 2 375 . 2 . 2 32 32 LEU HD12 H 1 0.7246 . . . . . . . B 32 LEU HD12 . 30093 2 376 . 2 . 2 32 32 LEU HD13 H 1 0.7246 . . . . . . . B 32 LEU HD13 . 30093 2 377 . 2 . 2 32 32 LEU HD21 H 1 0.7026 . . . . . . . B 32 LEU HD21 . 30093 2 378 . 2 . 2 32 32 LEU HD22 H 1 0.7026 . . . . . . . B 32 LEU HD22 . 30093 2 379 . 2 . 2 32 32 LEU HD23 H 1 0.7026 . . . . . . . B 32 LEU HD23 . 30093 2 380 . 2 . 2 32 32 LEU C C 13 177.8521 . . . . . . . B 32 LEU C . 30093 2 381 . 2 . 2 32 32 LEU CA C 13 58.5017 . . . . . . . B 32 LEU CA . 30093 2 382 . 2 . 2 32 32 LEU CB C 13 40.6051 . . . . . . . B 32 LEU CB . 30093 2 383 . 2 . 2 32 32 LEU CG C 13 26.7202 . . . . . . . B 32 LEU CG . 30093 2 384 . 2 . 2 32 32 LEU CD1 C 13 23.9624 . . . . . . . B 32 LEU CD1 . 30093 2 385 . 2 . 2 32 32 LEU CD2 C 13 26.8417 . . . . . . . B 32 LEU CD2 . 30093 2 386 . 2 . 2 32 32 LEU N N 15 119.4922 . . . . . . . B 32 LEU N . 30093 2 387 . 2 . 2 33 33 GLU H H 1 7.4566 . . . . . . . B 33 GLU H . 30093 2 388 . 2 . 2 33 33 GLU HA H 1 4.2027 . . . . . . . B 33 GLU HA . 30093 2 389 . 2 . 2 33 33 GLU HB2 H 1 2.1036 . . . . . . . B 33 GLU HB2 . 30093 2 390 . 2 . 2 33 33 GLU HB3 H 1 2.2297 . . . . . . . B 33 GLU HB3 . 30093 2 391 . 2 . 2 33 33 GLU HG2 H 1 2.3163 . . . . . . . B 33 GLU HG2 . 30093 2 392 . 2 . 2 33 33 GLU HG3 H 1 2.4193 . . . . . . . B 33 GLU HG3 . 30093 2 393 . 2 . 2 33 33 GLU C C 13 177.081 . . . . . . . B 33 GLU C . 30093 2 394 . 2 . 2 33 33 GLU CA C 13 57.9744 . . . . . . . B 33 GLU CA . 30093 2 395 . 2 . 2 33 33 GLU CB C 13 30.3688 . . . . . . . B 33 GLU CB . 30093 2 396 . 2 . 2 33 33 GLU CG C 13 35.9329 . . . . . . . B 33 GLU CG . 30093 2 397 . 2 . 2 33 33 GLU N N 15 114.0454 . . . . . . . B 33 GLU N . 30093 2 398 . 2 . 2 34 34 LYS H H 1 7.6493 . . . . . . . B 34 LYS H . 30093 2 399 . 2 . 2 34 34 LYS HA H 1 4.4061 . . . . . . . B 34 LYS HA . 30093 2 400 . 2 . 2 34 34 LYS HB2 H 1 1.9178 . . . . . . . B 34 LYS HB2 . 30093 2 401 . 2 . 2 34 34 LYS HB3 H 1 1.9178 . . . . . . . B 34 LYS HB3 . 30093 2 402 . 2 . 2 34 34 LYS HG2 H 1 1.4865 . . . . . . . B 34 LYS HG2 . 30093 2 403 . 2 . 2 34 34 LYS HG3 H 1 1.5104 . . . . . . . B 34 LYS HG3 . 30093 2 404 . 2 . 2 34 34 LYS HD2 H 1 1.6864 . . . . . . . B 34 LYS HD2 . 30093 2 405 . 2 . 2 34 34 LYS HD3 H 1 1.6864 . . . . . . . B 34 LYS HD3 . 30093 2 406 . 2 . 2 34 34 LYS HE2 H 1 3.0111 . . . . . . . B 34 LYS HE2 . 30093 2 407 . 2 . 2 34 34 LYS HE3 H 1 3.0111 . . . . . . . B 34 LYS HE3 . 30093 2 408 . 2 . 2 34 34 LYS C C 13 177.9072 . . . . . . . B 34 LYS C . 30093 2 409 . 2 . 2 34 34 LYS CA C 13 57.3991 . . . . . . . B 34 LYS CA . 30093 2 410 . 2 . 2 34 34 LYS CB C 13 33.7707 . . . . . . . B 34 LYS CB . 30093 2 411 . 2 . 2 34 34 LYS CG C 13 25.2334 . . . . . . . B 34 LYS CG . 30093 2 412 . 2 . 2 34 34 LYS CD C 13 28.5433 . . . . . . . B 34 LYS CD . 30093 2 413 . 2 . 2 34 34 LYS CE C 13 42.1065 . . . . . . . B 34 LYS CE . 30093 2 414 . 2 . 2 34 34 LYS N N 15 115.8966 . . . . . . . B 34 LYS N . 30093 2 415 . 2 . 2 35 35 GLU H H 1 8.7861 . . . . . . . B 35 GLU H . 30093 2 416 . 2 . 2 35 35 GLU HA H 1 4.2797 . . . . . . . B 35 GLU HA . 30093 2 417 . 2 . 2 35 35 GLU HB2 H 1 1.5661 . . . . . . . B 35 GLU HB2 . 30093 2 418 . 2 . 2 35 35 GLU HB3 H 1 1.9095 . . . . . . . B 35 GLU HB3 . 30093 2 419 . 2 . 2 35 35 GLU HG2 H 1 2.1988 . . . . . . . B 35 GLU HG2 . 30093 2 420 . 2 . 2 35 35 GLU HG3 H 1 2.1988 . . . . . . . B 35 GLU HG3 . 30093 2 421 . 2 . 2 35 35 GLU C C 13 176.8343 . . . . . . . B 35 GLU C . 30093 2 422 . 2 . 2 35 35 GLU CA C 13 57.7491 . . . . . . . B 35 GLU CA . 30093 2 423 . 2 . 2 35 35 GLU CB C 13 30.0033 . . . . . . . B 35 GLU CB . 30093 2 424 . 2 . 2 35 35 GLU CG C 13 36.2711 . . . . . . . B 35 GLU CG . 30093 2 425 . 2 . 2 35 35 GLU N N 15 117.7801 . . . . . . . B 35 GLU N . 30093 2 426 . 2 . 2 36 36 PHE H H 1 7.3947 . . . . . . . B 36 PHE H . 30093 2 427 . 2 . 2 36 36 PHE HA H 1 4.7891 . . . . . . . B 36 PHE HA . 30093 2 428 . 2 . 2 36 36 PHE HB2 H 1 3.057 . . . . . . . B 36 PHE HB2 . 30093 2 429 . 2 . 2 36 36 PHE HB3 H 1 3.6204 . . . . . . . B 36 PHE HB3 . 30093 2 430 . 2 . 2 36 36 PHE C C 13 174.8459 . . . . . . . B 36 PHE C . 30093 2 431 . 2 . 2 36 36 PHE CA C 13 56.4821 . . . . . . . B 36 PHE CA . 30093 2 432 . 2 . 2 36 36 PHE CB C 13 40.1149 . . . . . . . B 36 PHE CB . 30093 2 433 . 2 . 2 36 36 PHE N N 15 116.1568 . . . . . . . B 36 PHE N . 30093 2 434 . 2 . 2 37 37 LYS H H 1 7.4429 . . . . . . . B 37 LYS H . 30093 2 435 . 2 . 2 37 37 LYS HA H 1 4.2113 . . . . . . . B 37 LYS HA . 30093 2 436 . 2 . 2 37 37 LYS HB2 H 1 1.6835 . . . . . . . B 37 LYS HB2 . 30093 2 437 . 2 . 2 37 37 LYS HB3 H 1 1.9138 . . . . . . . B 37 LYS HB3 . 30093 2 438 . 2 . 2 37 37 LYS HG2 H 1 1.3151 . . . . . . . B 37 LYS HG2 . 30093 2 439 . 2 . 2 37 37 LYS HG3 H 1 1.5217 . . . . . . . B 37 LYS HG3 . 30093 2 440 . 2 . 2 37 37 LYS HD2 H 1 1.7551 . . . . . . . B 37 LYS HD2 . 30093 2 441 . 2 . 2 37 37 LYS HD3 H 1 1.7551 . . . . . . . B 37 LYS HD3 . 30093 2 442 . 2 . 2 37 37 LYS HE2 H 1 3.0565 . . . . . . . B 37 LYS HE2 . 30093 2 443 . 2 . 2 37 37 LYS HE3 H 1 3.0565 . . . . . . . B 37 LYS HE3 . 30093 2 444 . 2 . 2 37 37 LYS C C 13 178.6718 . . . . . . . B 37 LYS C . 30093 2 445 . 2 . 2 37 37 LYS CA C 13 58.5724 . . . . . . . B 37 LYS CA . 30093 2 446 . 2 . 2 37 37 LYS CB C 13 31.9623 . . . . . . . B 37 LYS CB . 30093 2 447 . 2 . 2 37 37 LYS CG C 13 24.1968 . . . . . . . B 37 LYS CG . 30093 2 448 . 2 . 2 37 37 LYS CD C 13 29.3284 . . . . . . . B 37 LYS CD . 30093 2 449 . 2 . 2 37 37 LYS CE C 13 41.8899 . . . . . . . B 37 LYS CE . 30093 2 450 . 2 . 2 37 37 LYS N N 15 121.4493 . . . . . . . B 37 LYS N . 30093 2 451 . 2 . 2 38 38 GLY H H 1 9.2674 . . . . . . . B 38 GLY H . 30093 2 452 . 2 . 2 38 38 GLY HA2 H 1 4.0917 . . . . . . . B 38 GLY HA2 . 30093 2 453 . 2 . 2 38 38 GLY HA3 H 1 4.182 . . . . . . . B 38 GLY HA3 . 30093 2 454 . 2 . 2 38 38 GLY C C 13 174.4777 . . . . . . . B 38 GLY C . 30093 2 455 . 2 . 2 38 38 GLY CA C 13 45.7468 . . . . . . . B 38 GLY CA . 30093 2 456 . 2 . 2 38 38 GLY N N 15 113.5816 . . . . . . . B 38 GLY N . 30093 2 457 . 2 . 2 39 39 VAL H H 1 7.8771 . . . . . . . B 39 VAL H . 30093 2 458 . 2 . 2 39 39 VAL HA H 1 3.9858 . . . . . . . B 39 VAL HA . 30093 2 459 . 2 . 2 39 39 VAL HB H 1 1.8333 . . . . . . . B 39 VAL HB . 30093 2 460 . 2 . 2 39 39 VAL HG11 H 1 0.0883 . . . . . . . B 39 VAL HG11 . 30093 2 461 . 2 . 2 39 39 VAL HG12 H 1 0.0883 . . . . . . . B 39 VAL HG12 . 30093 2 462 . 2 . 2 39 39 VAL HG13 H 1 0.0883 . . . . . . . B 39 VAL HG13 . 30093 2 463 . 2 . 2 39 39 VAL HG21 H 1 0.7678 . . . . . . . B 39 VAL HG21 . 30093 2 464 . 2 . 2 39 39 VAL HG22 H 1 0.7678 . . . . . . . B 39 VAL HG22 . 30093 2 465 . 2 . 2 39 39 VAL HG23 H 1 0.7678 . . . . . . . B 39 VAL HG23 . 30093 2 466 . 2 . 2 39 39 VAL C C 13 174.7625 . . . . . . . B 39 VAL C . 30093 2 467 . 2 . 2 39 39 VAL CA C 13 65.1177 . . . . . . . B 39 VAL CA . 30093 2 468 . 2 . 2 39 39 VAL CB C 13 34.1086 . . . . . . . B 39 VAL CB . 30093 2 469 . 2 . 2 39 39 VAL CG1 C 13 20.3777 . . . . . . . B 39 VAL CG1 . 30093 2 470 . 2 . 2 39 39 VAL CG2 C 13 21.4439 . . . . . . . B 39 VAL CG2 . 30093 2 471 . 2 . 2 39 39 VAL N N 15 118.6828 . . . . . . . B 39 VAL N . 30093 2 472 . 2 . 2 40 40 TYR H H 1 8.8255 . . . . . . . B 40 TYR H . 30093 2 473 . 2 . 2 40 40 TYR HA H 1 5.4924 . . . . . . . B 40 TYR HA . 30093 2 474 . 2 . 2 40 40 TYR HB2 H 1 2.7875 . . . . . . . B 40 TYR HB2 . 30093 2 475 . 2 . 2 40 40 TYR HB3 H 1 2.9139 . . . . . . . B 40 TYR HB3 . 30093 2 476 . 2 . 2 40 40 TYR C C 13 177.3468 . . . . . . . B 40 TYR C . 30093 2 477 . 2 . 2 40 40 TYR CA C 13 56.4977 . . . . . . . B 40 TYR CA . 30093 2 478 . 2 . 2 40 40 TYR CB C 13 42.2759 . . . . . . . B 40 TYR CB . 30093 2 479 . 2 . 2 40 40 TYR N N 15 114.942 . . . . . . . B 40 TYR N . 30093 2 480 . 2 . 2 41 41 ALA H H 1 8.9281 . . . . . . . B 41 ALA H . 30093 2 481 . 2 . 2 41 41 ALA HA H 1 4.9029 . . . . . . . B 41 ALA HA . 30093 2 482 . 2 . 2 41 41 ALA HB1 H 1 1.4847 . . . . . . . B 41 ALA HB1 . 30093 2 483 . 2 . 2 41 41 ALA HB2 H 1 1.4847 . . . . . . . B 41 ALA HB2 . 30093 2 484 . 2 . 2 41 41 ALA HB3 H 1 1.4847 . . . . . . . B 41 ALA HB3 . 30093 2 485 . 2 . 2 41 41 ALA C C 13 174.9406 . . . . . . . B 41 ALA C . 30093 2 486 . 2 . 2 41 41 ALA CA C 13 51.1492 . . . . . . . B 41 ALA CA . 30093 2 487 . 2 . 2 41 41 ALA CB C 13 21.0448 . . . . . . . B 41 ALA CB . 30093 2 488 . 2 . 2 41 41 ALA N N 15 124.8359 . . . . . . . B 41 ALA N . 30093 2 489 . 2 . 2 42 42 LEU H H 1 7.6393 . . . . . . . B 42 LEU H . 30093 2 490 . 2 . 2 42 42 LEU HA H 1 5.0769 . . . . . . . B 42 LEU HA . 30093 2 491 . 2 . 2 42 42 LEU HB2 H 1 1.0031 . . . . . . . B 42 LEU HB2 . 30093 2 492 . 2 . 2 42 42 LEU HB3 H 1 1.035 . . . . . . . B 42 LEU HB3 . 30093 2 493 . 2 . 2 42 42 LEU HG H 1 1.3086 . . . . . . . B 42 LEU HG . 30093 2 494 . 2 . 2 42 42 LEU HD11 H 1 0.6633 . . . . . . . B 42 LEU HD11 . 30093 2 495 . 2 . 2 42 42 LEU HD12 H 1 0.6633 . . . . . . . B 42 LEU HD12 . 30093 2 496 . 2 . 2 42 42 LEU HD13 H 1 0.6633 . . . . . . . B 42 LEU HD13 . 30093 2 497 . 2 . 2 42 42 LEU HD21 H 1 0.7152 . . . . . . . B 42 LEU HD21 . 30093 2 498 . 2 . 2 42 42 LEU HD22 H 1 0.7152 . . . . . . . B 42 LEU HD22 . 30093 2 499 . 2 . 2 42 42 LEU HD23 H 1 0.7152 . . . . . . . B 42 LEU HD23 . 30093 2 500 . 2 . 2 42 42 LEU C C 13 172.7793 . . . . . . . B 42 LEU C . 30093 2 501 . 2 . 2 42 42 LEU CA C 13 53.2023 . . . . . . . B 42 LEU CA . 30093 2 502 . 2 . 2 42 42 LEU CB C 13 45.9687 . . . . . . . B 42 LEU CB . 30093 2 503 . 2 . 2 42 42 LEU CG C 13 27.0658 . . . . . . . B 42 LEU CG . 30093 2 504 . 2 . 2 42 42 LEU CD1 C 13 25.4515 . . . . . . . B 42 LEU CD1 . 30093 2 505 . 2 . 2 42 42 LEU CD2 C 13 24.2567 . . . . . . . B 42 LEU CD2 . 30093 2 506 . 2 . 2 42 42 LEU N N 15 122.4123 . . . . . . . B 42 LEU N . 30093 2 507 . 2 . 2 43 43 LYS H H 1 9.4722 . . . . . . . B 43 LYS H . 30093 2 508 . 2 . 2 43 43 LYS HA H 1 5.6262 . . . . . . . B 43 LYS HA . 30093 2 509 . 2 . 2 43 43 LYS HB2 H 1 1.17 . . . . . . . B 43 LYS HB2 . 30093 2 510 . 2 . 2 43 43 LYS HB3 H 1 1.3921 . . . . . . . B 43 LYS HB3 . 30093 2 511 . 2 . 2 43 43 LYS C C 13 174.7067 . . . . . . . B 43 LYS C . 30093 2 512 . 2 . 2 43 43 LYS CA C 13 54.0824 . . . . . . . B 43 LYS CA . 30093 2 513 . 2 . 2 43 43 LYS CB C 13 35.8331 . . . . . . . B 43 LYS CB . 30093 2 514 . 2 . 2 43 43 LYS CD C 13 30.5585 . . . . . . . B 43 LYS CD . 30093 2 515 . 2 . 2 43 43 LYS N N 15 130.4768 . . . . . . . B 43 LYS N . 30093 2 516 . 2 . 2 44 44 VAL H H 1 8.5685 . . . . . . . B 44 VAL H . 30093 2 517 . 2 . 2 44 44 VAL HA H 1 4.798 . . . . . . . B 44 VAL HA . 30093 2 518 . 2 . 2 44 44 VAL HB H 1 1.9033 . . . . . . . B 44 VAL HB . 30093 2 519 . 2 . 2 44 44 VAL HG11 H 1 0.7139 . . . . . . . B 44 VAL HG11 . 30093 2 520 . 2 . 2 44 44 VAL HG12 H 1 0.7139 . . . . . . . B 44 VAL HG12 . 30093 2 521 . 2 . 2 44 44 VAL HG13 H 1 0.7139 . . . . . . . B 44 VAL HG13 . 30093 2 522 . 2 . 2 44 44 VAL HG21 H 1 0.7371 . . . . . . . B 44 VAL HG21 . 30093 2 523 . 2 . 2 44 44 VAL HG22 H 1 0.7371 . . . . . . . B 44 VAL HG22 . 30093 2 524 . 2 . 2 44 44 VAL HG23 H 1 0.7371 . . . . . . . B 44 VAL HG23 . 30093 2 525 . 2 . 2 44 44 VAL C C 13 174.8031 . . . . . . . B 44 VAL C . 30093 2 526 . 2 . 2 44 44 VAL CA C 13 60.9274 . . . . . . . B 44 VAL CA . 30093 2 527 . 2 . 2 44 44 VAL CB C 13 33.3714 . . . . . . . B 44 VAL CB . 30093 2 528 . 2 . 2 44 44 VAL CG1 C 13 22.0078 . . . . . . . B 44 VAL CG1 . 30093 2 529 . 2 . 2 44 44 VAL CG2 C 13 21.2585 . . . . . . . B 44 VAL CG2 . 30093 2 530 . 2 . 2 44 44 VAL N N 15 126.6993 . . . . . . . B 44 VAL N . 30093 2 531 . 2 . 2 45 45 ILE H H 1 8.7551 . . . . . . . B 45 ILE H . 30093 2 532 . 2 . 2 45 45 ILE HA H 1 4.0117 . . . . . . . B 45 ILE HA . 30093 2 533 . 2 . 2 45 45 ILE HB H 1 1.3131 . . . . . . . B 45 ILE HB . 30093 2 534 . 2 . 2 45 45 ILE HG12 H 1 0.7159 . . . . . . . B 45 ILE HG12 . 30093 2 535 . 2 . 2 45 45 ILE HG13 H 1 0.8972 . . . . . . . B 45 ILE HG13 . 30093 2 536 . 2 . 2 45 45 ILE HG21 H 1 0.759 . . . . . . . B 45 ILE HG21 . 30093 2 537 . 2 . 2 45 45 ILE HG22 H 1 0.759 . . . . . . . B 45 ILE HG22 . 30093 2 538 . 2 . 2 45 45 ILE HG23 H 1 0.759 . . . . . . . B 45 ILE HG23 . 30093 2 539 . 2 . 2 45 45 ILE HD11 H 1 0.2604 . . . . . . . B 45 ILE HD11 . 30093 2 540 . 2 . 2 45 45 ILE HD12 H 1 0.2604 . . . . . . . B 45 ILE HD12 . 30093 2 541 . 2 . 2 45 45 ILE HD13 H 1 0.2604 . . . . . . . B 45 ILE HD13 . 30093 2 542 . 2 . 2 45 45 ILE C C 13 173.4374 . . . . . . . B 45 ILE C . 30093 2 543 . 2 . 2 45 45 ILE CA C 13 59.8447 . . . . . . . B 45 ILE CA . 30093 2 544 . 2 . 2 45 45 ILE CB C 13 41.3567 . . . . . . . B 45 ILE CB . 30093 2 545 . 2 . 2 45 45 ILE CG1 C 13 27.7121 . . . . . . . B 45 ILE CG1 . 30093 2 546 . 2 . 2 45 45 ILE CG2 C 13 19.2339 . . . . . . . B 45 ILE CG2 . 30093 2 547 . 2 . 2 45 45 ILE CD1 C 13 14.1333 . . . . . . . B 45 ILE CD1 . 30093 2 548 . 2 . 2 45 45 ILE N N 15 127.9711 . . . . . . . B 45 ILE N . 30093 2 549 . 2 . 2 46 46 ASP H H 1 8.7123 . . . . . . . B 46 ASP H . 30093 2 550 . 2 . 2 46 46 ASP HA H 1 5.224 . . . . . . . B 46 ASP HA . 30093 2 551 . 2 . 2 46 46 ASP HB2 H 1 2.2209 . . . . . . . B 46 ASP HB2 . 30093 2 552 . 2 . 2 46 46 ASP HB3 H 1 3.0495 . . . . . . . B 46 ASP HB3 . 30093 2 553 . 2 . 2 46 46 ASP C C 13 178.9803 . . . . . . . B 46 ASP C . 30093 2 554 . 2 . 2 46 46 ASP CA C 13 51.9088 . . . . . . . B 46 ASP CA . 30093 2 555 . 2 . 2 46 46 ASP CB C 13 41.6517 . . . . . . . B 46 ASP CB . 30093 2 556 . 2 . 2 46 46 ASP N N 15 126.1798 . . . . . . . B 46 ASP N . 30093 2 557 . 2 . 2 47 47 VAL H H 1 9.4346 . . . . . . . B 47 VAL H . 30093 2 558 . 2 . 2 47 47 VAL HA H 1 3.8602 . . . . . . . B 47 VAL HA . 30093 2 559 . 2 . 2 47 47 VAL HB H 1 2.3126 . . . . . . . B 47 VAL HB . 30093 2 560 . 2 . 2 47 47 VAL HG11 H 1 0.9289 . . . . . . . B 47 VAL HG11 . 30093 2 561 . 2 . 2 47 47 VAL HG12 H 1 0.9289 . . . . . . . B 47 VAL HG12 . 30093 2 562 . 2 . 2 47 47 VAL HG13 H 1 0.9289 . . . . . . . B 47 VAL HG13 . 30093 2 563 . 2 . 2 47 47 VAL HG21 H 1 1.0556 . . . . . . . B 47 VAL HG21 . 30093 2 564 . 2 . 2 47 47 VAL HG22 H 1 1.0556 . . . . . . . B 47 VAL HG22 . 30093 2 565 . 2 . 2 47 47 VAL HG23 H 1 1.0556 . . . . . . . B 47 VAL HG23 . 30093 2 566 . 2 . 2 47 47 VAL C C 13 176.823 . . . . . . . B 47 VAL C . 30093 2 567 . 2 . 2 47 47 VAL CA C 13 63.8831 . . . . . . . B 47 VAL CA . 30093 2 568 . 2 . 2 47 47 VAL CB C 13 31.1093 . . . . . . . B 47 VAL CB . 30093 2 569 . 2 . 2 47 47 VAL CG1 C 13 19.2066 . . . . . . . B 47 VAL CG1 . 30093 2 570 . 2 . 2 47 47 VAL CG2 C 13 23.0663 . . . . . . . B 47 VAL CG2 . 30093 2 571 . 2 . 2 47 47 VAL N N 15 122.4669 . . . . . . . B 47 VAL N . 30093 2 572 . 2 . 2 48 48 LEU H H 1 8.6409 . . . . . . . B 48 LEU H . 30093 2 573 . 2 . 2 48 48 LEU HA H 1 4.2479 . . . . . . . B 48 LEU HA . 30093 2 574 . 2 . 2 48 48 LEU HB2 H 1 1.527 . . . . . . . B 48 LEU HB2 . 30093 2 575 . 2 . 2 48 48 LEU HB3 H 1 1.8689 . . . . . . . B 48 LEU HB3 . 30093 2 576 . 2 . 2 48 48 LEU HG H 1 1.5588 . . . . . . . B 48 LEU HG . 30093 2 577 . 2 . 2 48 48 LEU HD11 H 1 0.8269 . . . . . . . B 48 LEU HD11 . 30093 2 578 . 2 . 2 48 48 LEU HD12 H 1 0.8269 . . . . . . . B 48 LEU HD12 . 30093 2 579 . 2 . 2 48 48 LEU HD13 H 1 0.8269 . . . . . . . B 48 LEU HD13 . 30093 2 580 . 2 . 2 48 48 LEU HD21 H 1 0.8482 . . . . . . . B 48 LEU HD21 . 30093 2 581 . 2 . 2 48 48 LEU HD22 H 1 0.8482 . . . . . . . B 48 LEU HD22 . 30093 2 582 . 2 . 2 48 48 LEU HD23 H 1 0.8482 . . . . . . . B 48 LEU HD23 . 30093 2 583 . 2 . 2 48 48 LEU C C 13 178.9513 . . . . . . . B 48 LEU C . 30093 2 584 . 2 . 2 48 48 LEU CA C 13 56.3124 . . . . . . . B 48 LEU CA . 30093 2 585 . 2 . 2 48 48 LEU CB C 13 40.7822 . . . . . . . B 48 LEU CB . 30093 2 586 . 2 . 2 48 48 LEU CG C 13 27.3189 . . . . . . . B 48 LEU CG . 30093 2 587 . 2 . 2 48 48 LEU CD1 C 13 22.0807 . . . . . . . B 48 LEU CD1 . 30093 2 588 . 2 . 2 48 48 LEU CD2 C 13 25.1791 . . . . . . . B 48 LEU CD2 . 30093 2 589 . 2 . 2 48 48 LEU N N 15 119.1243 . . . . . . . B 48 LEU N . 30093 2 590 . 2 . 2 49 49 LYS H H 1 6.9521 . . . . . . . B 49 LYS H . 30093 2 591 . 2 . 2 49 49 LYS HA H 1 4.3332 . . . . . . . B 49 LYS HA . 30093 2 592 . 2 . 2 49 49 LYS HB2 H 1 1.9511 . . . . . . . B 49 LYS HB2 . 30093 2 593 . 2 . 2 49 49 LYS HB3 H 1 1.9511 . . . . . . . B 49 LYS HB3 . 30093 2 594 . 2 . 2 49 49 LYS C C 13 176.27 . . . . . . . B 49 LYS C . 30093 2 595 . 2 . 2 49 49 LYS CA C 13 55.8531 . . . . . . . B 49 LYS CA . 30093 2 596 . 2 . 2 49 49 LYS CB C 13 33.6723 . . . . . . . B 49 LYS CB . 30093 2 597 . 2 . 2 49 49 LYS N N 15 116.6271 . . . . . . . B 49 LYS N . 30093 2 598 . 2 . 2 50 50 ASN H H 1 7.581 . . . . . . . B 50 ASN H . 30093 2 599 . 2 . 2 50 50 ASN HA H 1 5.3163 . . . . . . . B 50 ASN HA . 30093 2 600 . 2 . 2 50 50 ASN HB2 H 1 2.4845 . . . . . . . B 50 ASN HB2 . 30093 2 601 . 2 . 2 50 50 ASN HB3 H 1 2.7301 . . . . . . . B 50 ASN HB3 . 30093 2 602 . 2 . 2 50 50 ASN C C 13 172.1959 . . . . . . . B 50 ASN C . 30093 2 603 . 2 . 2 50 50 ASN CA C 13 51.3765 . . . . . . . B 50 ASN CA . 30093 2 604 . 2 . 2 50 50 ASN CB C 13 40.251 . . . . . . . B 50 ASN CB . 30093 2 605 . 2 . 2 50 50 ASN N N 15 114.8282 . . . . . . . B 50 ASN N . 30093 2 606 . 2 . 2 51 51 PRO HA H 1 4.4404 . . . . . . . B 51 PRO HA . 30093 2 607 . 2 . 2 51 51 PRO HB2 H 1 2.0271 . . . . . . . B 51 PRO HB2 . 30093 2 608 . 2 . 2 51 51 PRO HB3 H 1 2.4026 . . . . . . . B 51 PRO HB3 . 30093 2 609 . 2 . 2 51 51 PRO HG2 H 1 2.0615 . . . . . . . B 51 PRO HG2 . 30093 2 610 . 2 . 2 51 51 PRO HG3 H 1 2.0615 . . . . . . . B 51 PRO HG3 . 30093 2 611 . 2 . 2 51 51 PRO HD2 H 1 3.3083 . . . . . . . B 51 PRO HD2 . 30093 2 612 . 2 . 2 51 51 PRO HD3 H 1 3.7326 . . . . . . . B 51 PRO HD3 . 30093 2 613 . 2 . 2 51 51 PRO C C 13 179.2174 . . . . . . . B 51 PRO C . 30093 2 614 . 2 . 2 51 51 PRO CA C 13 65.2332 . . . . . . . B 51 PRO CA . 30093 2 615 . 2 . 2 51 51 PRO CB C 13 31.4451 . . . . . . . B 51 PRO CB . 30093 2 616 . 2 . 2 51 51 PRO CG C 13 27.4091 . . . . . . . B 51 PRO CG . 30093 2 617 . 2 . 2 51 51 PRO CD C 13 50.6638 . . . . . . . B 51 PRO CD . 30093 2 618 . 2 . 2 52 52 GLN H H 1 8.683 . . . . . . . B 52 GLN H . 30093 2 619 . 2 . 2 52 52 GLN HA H 1 4.217 . . . . . . . B 52 GLN HA . 30093 2 620 . 2 . 2 52 52 GLN HB2 H 1 2.1335 . . . . . . . B 52 GLN HB2 . 30093 2 621 . 2 . 2 52 52 GLN HB3 H 1 2.1335 . . . . . . . B 52 GLN HB3 . 30093 2 622 . 2 . 2 52 52 GLN HG2 H 1 2.4158 . . . . . . . B 52 GLN HG2 . 30093 2 623 . 2 . 2 52 52 GLN HG3 H 1 2.5227 . . . . . . . B 52 GLN HG3 . 30093 2 624 . 2 . 2 52 52 GLN C C 13 178.3308 . . . . . . . B 52 GLN C . 30093 2 625 . 2 . 2 52 52 GLN CA C 13 58.5446 . . . . . . . B 52 GLN CA . 30093 2 626 . 2 . 2 52 52 GLN CB C 13 27.3994 . . . . . . . B 52 GLN CB . 30093 2 627 . 2 . 2 52 52 GLN CG C 13 33.8897 . . . . . . . B 52 GLN CG . 30093 2 628 . 2 . 2 52 52 GLN N N 15 118.9879 . . . . . . . B 52 GLN N . 30093 2 629 . 2 . 2 53 53 LEU H H 1 7.4043 . . . . . . . B 53 LEU H . 30093 2 630 . 2 . 2 53 53 LEU HA H 1 4.209 . . . . . . . B 53 LEU HA . 30093 2 631 . 2 . 2 53 53 LEU HB2 H 1 1.6499 . . . . . . . B 53 LEU HB2 . 30093 2 632 . 2 . 2 53 53 LEU HB3 H 1 1.8359 . . . . . . . B 53 LEU HB3 . 30093 2 633 . 2 . 2 53 53 LEU HG H 1 1.7363 . . . . . . . B 53 LEU HG . 30093 2 634 . 2 . 2 53 53 LEU HD11 H 1 0.889 . . . . . . . B 53 LEU HD11 . 30093 2 635 . 2 . 2 53 53 LEU HD12 H 1 0.889 . . . . . . . B 53 LEU HD12 . 30093 2 636 . 2 . 2 53 53 LEU HD13 H 1 0.889 . . . . . . . B 53 LEU HD13 . 30093 2 637 . 2 . 2 53 53 LEU HD21 H 1 0.9251 . . . . . . . B 53 LEU HD21 . 30093 2 638 . 2 . 2 53 53 LEU HD22 H 1 0.9251 . . . . . . . B 53 LEU HD22 . 30093 2 639 . 2 . 2 53 53 LEU HD23 H 1 0.9251 . . . . . . . B 53 LEU HD23 . 30093 2 640 . 2 . 2 53 53 LEU C C 13 178.4983 . . . . . . . B 53 LEU C . 30093 2 641 . 2 . 2 53 53 LEU CA C 13 56.9446 . . . . . . . B 53 LEU CA . 30093 2 642 . 2 . 2 53 53 LEU CB C 13 41.4204 . . . . . . . B 53 LEU CB . 30093 2 643 . 2 . 2 53 53 LEU CG C 13 27.2045 . . . . . . . B 53 LEU CG . 30093 2 644 . 2 . 2 53 53 LEU CD1 C 13 22.8763 . . . . . . . B 53 LEU CD1 . 30093 2 645 . 2 . 2 53 53 LEU CD2 C 13 25.4731 . . . . . . . B 53 LEU CD2 . 30093 2 646 . 2 . 2 53 53 LEU N N 15 119.8731 . . . . . . . B 53 LEU N . 30093 2 647 . 2 . 2 54 54 ALA H H 1 7.2194 . . . . . . . B 54 ALA H . 30093 2 648 . 2 . 2 54 54 ALA HA H 1 3.8463 . . . . . . . B 54 ALA HA . 30093 2 649 . 2 . 2 54 54 ALA HB1 H 1 1.4156 . . . . . . . B 54 ALA HB1 . 30093 2 650 . 2 . 2 54 54 ALA HB2 H 1 1.4156 . . . . . . . B 54 ALA HB2 . 30093 2 651 . 2 . 2 54 54 ALA HB3 H 1 1.4156 . . . . . . . B 54 ALA HB3 . 30093 2 652 . 2 . 2 54 54 ALA C C 13 178.8587 . . . . . . . B 54 ALA C . 30093 2 653 . 2 . 2 54 54 ALA CA C 13 54.3105 . . . . . . . B 54 ALA CA . 30093 2 654 . 2 . 2 54 54 ALA CB C 13 18.3276 . . . . . . . B 54 ALA CB . 30093 2 655 . 2 . 2 54 54 ALA N N 15 119.7763 . . . . . . . B 54 ALA N . 30093 2 656 . 2 . 2 55 55 GLU H H 1 7.7022 . . . . . . . B 55 GLU H . 30093 2 657 . 2 . 2 55 55 GLU HA H 1 4.0589 . . . . . . . B 55 GLU HA . 30093 2 658 . 2 . 2 55 55 GLU HB2 H 1 2.0725 . . . . . . . B 55 GLU HB2 . 30093 2 659 . 2 . 2 55 55 GLU HB3 H 1 2.0725 . . . . . . . B 55 GLU HB3 . 30093 2 660 . 2 . 2 55 55 GLU HG2 H 1 2.2166 . . . . . . . B 55 GLU HG2 . 30093 2 661 . 2 . 2 55 55 GLU HG3 H 1 2.2897 . . . . . . . B 55 GLU HG3 . 30093 2 662 . 2 . 2 55 55 GLU C C 13 179.8945 . . . . . . . B 55 GLU C . 30093 2 663 . 2 . 2 55 55 GLU CA C 13 58.8756 . . . . . . . B 55 GLU CA . 30093 2 664 . 2 . 2 55 55 GLU CB C 13 29.5914 . . . . . . . B 55 GLU CB . 30093 2 665 . 2 . 2 55 55 GLU CG C 13 36.1506 . . . . . . . B 55 GLU CG . 30093 2 666 . 2 . 2 55 55 GLU N N 15 117.472 . . . . . . . B 55 GLU N . 30093 2 667 . 2 . 2 56 56 GLU H H 1 8.0189 . . . . . . . B 56 GLU H . 30093 2 668 . 2 . 2 56 56 GLU HA H 1 3.9979 . . . . . . . B 56 GLU HA . 30093 2 669 . 2 . 2 56 56 GLU HB2 H 1 2.0605 . . . . . . . B 56 GLU HB2 . 30093 2 670 . 2 . 2 56 56 GLU HB3 H 1 2.1077 . . . . . . . B 56 GLU HB3 . 30093 2 671 . 2 . 2 56 56 GLU HG2 H 1 2.2964 . . . . . . . B 56 GLU HG2 . 30093 2 672 . 2 . 2 56 56 GLU HG3 H 1 2.3585 . . . . . . . B 56 GLU HG3 . 30093 2 673 . 2 . 2 56 56 GLU C C 13 177.6023 . . . . . . . B 56 GLU C . 30093 2 674 . 2 . 2 56 56 GLU CA C 13 59.185 . . . . . . . B 56 GLU CA . 30093 2 675 . 2 . 2 56 56 GLU CB C 13 29.6175 . . . . . . . B 56 GLU CB . 30093 2 676 . 2 . 2 56 56 GLU CG C 13 36.1644 . . . . . . . B 56 GLU CG . 30093 2 677 . 2 . 2 56 56 GLU N N 15 120.427 . . . . . . . B 56 GLU N . 30093 2 678 . 2 . 2 57 57 ASP H H 1 7.4772 . . . . . . . B 57 ASP H . 30093 2 679 . 2 . 2 57 57 ASP HA H 1 4.7416 . . . . . . . B 57 ASP HA . 30093 2 680 . 2 . 2 57 57 ASP HB2 H 1 2.3771 . . . . . . . B 57 ASP HB2 . 30093 2 681 . 2 . 2 57 57 ASP HB3 H 1 2.6653 . . . . . . . B 57 ASP HB3 . 30093 2 682 . 2 . 2 57 57 ASP C C 13 174.5451 . . . . . . . B 57 ASP C . 30093 2 683 . 2 . 2 57 57 ASP CA C 13 53.9386 . . . . . . . B 57 ASP CA . 30093 2 684 . 2 . 2 57 57 ASP CB C 13 40.2005 . . . . . . . B 57 ASP CB . 30093 2 685 . 2 . 2 57 57 ASP N N 15 116.2804 . . . . . . . B 57 ASP N . 30093 2 686 . 2 . 2 58 58 LYS H H 1 7.6269 . . . . . . . B 58 LYS H . 30093 2 687 . 2 . 2 58 58 LYS HA H 1 3.7775 . . . . . . . B 58 LYS HA . 30093 2 688 . 2 . 2 58 58 LYS HB2 H 1 1.7359 . . . . . . . B 58 LYS HB2 . 30093 2 689 . 2 . 2 58 58 LYS HB3 H 1 1.8993 . . . . . . . B 58 LYS HB3 . 30093 2 690 . 2 . 2 58 58 LYS HG2 H 1 1.3231 . . . . . . . B 58 LYS HG2 . 30093 2 691 . 2 . 2 58 58 LYS HG3 H 1 1.3231 . . . . . . . B 58 LYS HG3 . 30093 2 692 . 2 . 2 58 58 LYS HD2 H 1 1.6047 . . . . . . . B 58 LYS HD2 . 30093 2 693 . 2 . 2 58 58 LYS HD3 H 1 1.6047 . . . . . . . B 58 LYS HD3 . 30093 2 694 . 2 . 2 58 58 LYS HE2 H 1 3.0042 . . . . . . . B 58 LYS HE2 . 30093 2 695 . 2 . 2 58 58 LYS HE3 H 1 3.0042 . . . . . . . B 58 LYS HE3 . 30093 2 696 . 2 . 2 58 58 LYS C C 13 174.9913 . . . . . . . B 58 LYS C . 30093 2 697 . 2 . 2 58 58 LYS CA C 13 56.4315 . . . . . . . B 58 LYS CA . 30093 2 698 . 2 . 2 58 58 LYS CB C 13 29.1648 . . . . . . . B 58 LYS CB . 30093 2 699 . 2 . 2 58 58 LYS CG C 13 24.7865 . . . . . . . B 58 LYS CG . 30093 2 700 . 2 . 2 58 58 LYS CD C 13 28.8457 . . . . . . . B 58 LYS CD . 30093 2 701 . 2 . 2 58 58 LYS CE C 13 42.2547 . . . . . . . B 58 LYS CE . 30093 2 702 . 2 . 2 58 58 LYS N N 15 117.5853 . . . . . . . B 58 LYS N . 30093 2 703 . 2 . 2 59 59 ILE H H 1 7.864 . . . . . . . B 59 ILE H . 30093 2 704 . 2 . 2 59 59 ILE HA H 1 3.9245 . . . . . . . B 59 ILE HA . 30093 2 705 . 2 . 2 59 59 ILE HB H 1 1.6359 . . . . . . . B 59 ILE HB . 30093 2 706 . 2 . 2 59 59 ILE HG12 H 1 -0.0853 . . . . . . . B 59 ILE HG12 . 30093 2 707 . 2 . 2 59 59 ILE HG13 H 1 0.9574 . . . . . . . B 59 ILE HG13 . 30093 2 708 . 2 . 2 59 59 ILE HG21 H 1 0.465 . . . . . . . B 59 ILE HG21 . 30093 2 709 . 2 . 2 59 59 ILE HG22 H 1 0.465 . . . . . . . B 59 ILE HG22 . 30093 2 710 . 2 . 2 59 59 ILE HG23 H 1 0.465 . . . . . . . B 59 ILE HG23 . 30093 2 711 . 2 . 2 59 59 ILE HD11 H 1 0.0818 . . . . . . . B 59 ILE HD11 . 30093 2 712 . 2 . 2 59 59 ILE HD12 H 1 0.0818 . . . . . . . B 59 ILE HD12 . 30093 2 713 . 2 . 2 59 59 ILE HD13 H 1 0.0818 . . . . . . . B 59 ILE HD13 . 30093 2 714 . 2 . 2 59 59 ILE C C 13 175.9126 . . . . . . . B 59 ILE C . 30093 2 715 . 2 . 2 59 59 ILE CA C 13 58.409 . . . . . . . B 59 ILE CA . 30093 2 716 . 2 . 2 59 59 ILE CB C 13 35.4122 . . . . . . . B 59 ILE CB . 30093 2 717 . 2 . 2 59 59 ILE CG1 C 13 25.3813 . . . . . . . B 59 ILE CG1 . 30093 2 718 . 2 . 2 59 59 ILE CG2 C 13 17.0626 . . . . . . . B 59 ILE CG2 . 30093 2 719 . 2 . 2 59 59 ILE CD1 C 13 9.2995 . . . . . . . B 59 ILE CD1 . 30093 2 720 . 2 . 2 59 59 ILE N N 15 119.4722 . . . . . . . B 59 ILE N . 30093 2 721 . 2 . 2 60 60 LEU H H 1 8.2028 . . . . . . . B 60 LEU H . 30093 2 722 . 2 . 2 60 60 LEU HA H 1 4.3346 . . . . . . . B 60 LEU HA . 30093 2 723 . 2 . 2 60 60 LEU HB2 H 1 1.5517 . . . . . . . B 60 LEU HB2 . 30093 2 724 . 2 . 2 60 60 LEU HB3 H 1 1.5517 . . . . . . . B 60 LEU HB3 . 30093 2 725 . 2 . 2 60 60 LEU HG H 1 1.5232 . . . . . . . B 60 LEU HG . 30093 2 726 . 2 . 2 60 60 LEU HD11 H 1 0.8294 . . . . . . . B 60 LEU HD11 . 30093 2 727 . 2 . 2 60 60 LEU HD12 H 1 0.8294 . . . . . . . B 60 LEU HD12 . 30093 2 728 . 2 . 2 60 60 LEU HD13 H 1 0.8294 . . . . . . . B 60 LEU HD13 . 30093 2 729 . 2 . 2 60 60 LEU HD21 H 1 0.7407 . . . . . . . B 60 LEU HD21 . 30093 2 730 . 2 . 2 60 60 LEU HD22 H 1 0.7407 . . . . . . . B 60 LEU HD22 . 30093 2 731 . 2 . 2 60 60 LEU HD23 H 1 0.7407 . . . . . . . B 60 LEU HD23 . 30093 2 732 . 2 . 2 60 60 LEU C C 13 176.0836 . . . . . . . B 60 LEU C . 30093 2 733 . 2 . 2 60 60 LEU CA C 13 54.9819 . . . . . . . B 60 LEU CA . 30093 2 734 . 2 . 2 60 60 LEU CB C 13 43.3069 . . . . . . . B 60 LEU CB . 30093 2 735 . 2 . 2 60 60 LEU CG C 13 27.08 . . . . . . . B 60 LEU CG . 30093 2 736 . 2 . 2 60 60 LEU CD1 C 13 24.9416 . . . . . . . B 60 LEU CD1 . 30093 2 737 . 2 . 2 60 60 LEU CD2 C 13 23.1058 . . . . . . . B 60 LEU CD2 . 30093 2 738 . 2 . 2 60 60 LEU N N 15 127.6974 . . . . . . . B 60 LEU N . 30093 2 739 . 2 . 2 61 61 ALA H H 1 7.6014 . . . . . . . B 61 ALA H . 30093 2 740 . 2 . 2 61 61 ALA HA H 1 4.5872 . . . . . . . B 61 ALA HA . 30093 2 741 . 2 . 2 61 61 ALA HB1 H 1 1.2626 . . . . . . . B 61 ALA HB1 . 30093 2 742 . 2 . 2 61 61 ALA HB2 H 1 1.2626 . . . . . . . B 61 ALA HB2 . 30093 2 743 . 2 . 2 61 61 ALA HB3 H 1 1.2626 . . . . . . . B 61 ALA HB3 . 30093 2 744 . 2 . 2 61 61 ALA C C 13 175.7764 . . . . . . . B 61 ALA C . 30093 2 745 . 2 . 2 61 61 ALA CA C 13 51.0996 . . . . . . . B 61 ALA CA . 30093 2 746 . 2 . 2 61 61 ALA CB C 13 21.638 . . . . . . . B 61 ALA CB . 30093 2 747 . 2 . 2 61 61 ALA N N 15 121.2387 . . . . . . . B 61 ALA N . 30093 2 748 . 2 . 2 62 62 THR H H 1 8.0753 . . . . . . . B 62 THR H . 30093 2 749 . 2 . 2 62 62 THR HA H 1 4.5135 . . . . . . . B 62 THR HA . 30093 2 750 . 2 . 2 62 62 THR HB H 1 4.0527 . . . . . . . B 62 THR HB . 30093 2 751 . 2 . 2 62 62 THR HG21 H 1 0.8794 . . . . . . . B 62 THR HG21 . 30093 2 752 . 2 . 2 62 62 THR HG22 H 1 0.8794 . . . . . . . B 62 THR HG22 . 30093 2 753 . 2 . 2 62 62 THR HG23 H 1 0.8794 . . . . . . . B 62 THR HG23 . 30093 2 754 . 2 . 2 62 62 THR C C 13 172.2442 . . . . . . . B 62 THR C . 30093 2 755 . 2 . 2 62 62 THR CA C 13 57.9503 . . . . . . . B 62 THR CA . 30093 2 756 . 2 . 2 62 62 THR CB C 13 70.4587 . . . . . . . B 62 THR CB . 30093 2 757 . 2 . 2 62 62 THR CG2 C 13 22.6945 . . . . . . . B 62 THR CG2 . 30093 2 758 . 2 . 2 62 62 THR N N 15 108.8008 . . . . . . . B 62 THR N . 30093 2 759 . 2 . 2 63 63 PRO HA H 1 5.3202 . . . . . . . B 63 PRO HA . 30093 2 760 . 2 . 2 63 63 PRO HB2 H 1 1.9364 . . . . . . . B 63 PRO HB2 . 30093 2 761 . 2 . 2 63 63 PRO HB3 H 1 2.3035 . . . . . . . B 63 PRO HB3 . 30093 2 762 . 2 . 2 63 63 PRO HG2 H 1 1.794 . . . . . . . B 63 PRO HG2 . 30093 2 763 . 2 . 2 63 63 PRO HG3 H 1 1.9393 . . . . . . . B 63 PRO HG3 . 30093 2 764 . 2 . 2 63 63 PRO HD2 H 1 3.5019 . . . . . . . B 63 PRO HD2 . 30093 2 765 . 2 . 2 63 63 PRO HD3 H 1 3.5605 . . . . . . . B 63 PRO HD3 . 30093 2 766 . 2 . 2 63 63 PRO C C 13 176.1172 . . . . . . . B 63 PRO C . 30093 2 767 . 2 . 2 63 63 PRO CA C 13 62.2475 . . . . . . . B 63 PRO CA . 30093 2 768 . 2 . 2 63 63 PRO CB C 13 34.2962 . . . . . . . B 63 PRO CB . 30093 2 769 . 2 . 2 63 63 PRO CG C 13 24.7386 . . . . . . . B 63 PRO CG . 30093 2 770 . 2 . 2 63 63 PRO CD C 13 50.1878 . . . . . . . B 63 PRO CD . 30093 2 771 . 2 . 2 64 64 THR H H 1 8.2014 . . . . . . . B 64 THR H . 30093 2 772 . 2 . 2 64 64 THR HA H 1 4.8258 . . . . . . . B 64 THR HA . 30093 2 773 . 2 . 2 64 64 THR HB H 1 3.9184 . . . . . . . B 64 THR HB . 30093 2 774 . 2 . 2 64 64 THR HG21 H 1 1.1215 . . . . . . . B 64 THR HG21 . 30093 2 775 . 2 . 2 64 64 THR HG22 H 1 1.1215 . . . . . . . B 64 THR HG22 . 30093 2 776 . 2 . 2 64 64 THR HG23 H 1 1.1215 . . . . . . . B 64 THR HG23 . 30093 2 777 . 2 . 2 64 64 THR C C 13 171.4961 . . . . . . . B 64 THR C . 30093 2 778 . 2 . 2 64 64 THR CA C 13 62.7327 . . . . . . . B 64 THR CA . 30093 2 779 . 2 . 2 64 64 THR CB C 13 73.001 . . . . . . . B 64 THR CB . 30093 2 780 . 2 . 2 64 64 THR CG2 C 13 21.7536 . . . . . . . B 64 THR CG2 . 30093 2 781 . 2 . 2 64 64 THR N N 15 116.4553 . . . . . . . B 64 THR N . 30093 2 782 . 2 . 2 65 65 LEU H H 1 9.0692 . . . . . . . B 65 LEU H . 30093 2 783 . 2 . 2 65 65 LEU HA H 1 5.4631 . . . . . . . B 65 LEU HA . 30093 2 784 . 2 . 2 65 65 LEU HB2 H 1 1.2195 . . . . . . . B 65 LEU HB2 . 30093 2 785 . 2 . 2 65 65 LEU HB3 H 1 1.9316 . . . . . . . B 65 LEU HB3 . 30093 2 786 . 2 . 2 65 65 LEU HG H 1 1.3528 . . . . . . . B 65 LEU HG . 30093 2 787 . 2 . 2 65 65 LEU HD11 H 1 0.8051 . . . . . . . B 65 LEU HD11 . 30093 2 788 . 2 . 2 65 65 LEU HD12 H 1 0.8051 . . . . . . . B 65 LEU HD12 . 30093 2 789 . 2 . 2 65 65 LEU HD13 H 1 0.8051 . . . . . . . B 65 LEU HD13 . 30093 2 790 . 2 . 2 65 65 LEU HD21 H 1 0.7039 . . . . . . . B 65 LEU HD21 . 30093 2 791 . 2 . 2 65 65 LEU HD22 H 1 0.7039 . . . . . . . B 65 LEU HD22 . 30093 2 792 . 2 . 2 65 65 LEU HD23 H 1 0.7039 . . . . . . . B 65 LEU HD23 . 30093 2 793 . 2 . 2 65 65 LEU C C 13 173.7514 . . . . . . . B 65 LEU C . 30093 2 794 . 2 . 2 65 65 LEU CA C 13 53.166 . . . . . . . B 65 LEU CA . 30093 2 795 . 2 . 2 65 65 LEU CB C 13 46.3677 . . . . . . . B 65 LEU CB . 30093 2 796 . 2 . 2 65 65 LEU CG C 13 27.0446 . . . . . . . B 65 LEU CG . 30093 2 797 . 2 . 2 65 65 LEU CD1 C 13 24.6473 . . . . . . . B 65 LEU CD1 . 30093 2 798 . 2 . 2 65 65 LEU CD2 C 13 26.2508 . . . . . . . B 65 LEU CD2 . 30093 2 799 . 2 . 2 65 65 LEU N N 15 129.8206 . . . . . . . B 65 LEU N . 30093 2 800 . 2 . 2 66 66 ALA H H 1 9.6077 . . . . . . . B 66 ALA H . 30093 2 801 . 2 . 2 66 66 ALA HA H 1 5.3333 . . . . . . . B 66 ALA HA . 30093 2 802 . 2 . 2 66 66 ALA HB1 H 1 1.2982 . . . . . . . B 66 ALA HB1 . 30093 2 803 . 2 . 2 66 66 ALA HB2 H 1 1.2982 . . . . . . . B 66 ALA HB2 . 30093 2 804 . 2 . 2 66 66 ALA HB3 H 1 1.2982 . . . . . . . B 66 ALA HB3 . 30093 2 805 . 2 . 2 66 66 ALA C C 13 175.4183 . . . . . . . B 66 ALA C . 30093 2 806 . 2 . 2 66 66 ALA CA C 13 50.2571 . . . . . . . B 66 ALA CA . 30093 2 807 . 2 . 2 66 66 ALA CB C 13 22.7234 . . . . . . . B 66 ALA CB . 30093 2 808 . 2 . 2 66 66 ALA N N 15 128.0342 . . . . . . . B 66 ALA N . 30093 2 809 . 2 . 2 67 67 LYS H H 1 9.0029 . . . . . . . B 67 LYS H . 30093 2 810 . 2 . 2 67 67 LYS HA H 1 4.7113 . . . . . . . B 67 LYS HA . 30093 2 811 . 2 . 2 67 67 LYS HB2 H 1 1.6265 . . . . . . . B 67 LYS HB2 . 30093 2 812 . 2 . 2 67 67 LYS HB3 H 1 1.7577 . . . . . . . B 67 LYS HB3 . 30093 2 813 . 2 . 2 67 67 LYS HE2 H 1 2.9899 . . . . . . . B 67 LYS HE2 . 30093 2 814 . 2 . 2 67 67 LYS HE3 H 1 2.9899 . . . . . . . B 67 LYS HE3 . 30093 2 815 . 2 . 2 67 67 LYS C C 13 175.2191 . . . . . . . B 67 LYS C . 30093 2 816 . 2 . 2 67 67 LYS CA C 13 56.366 . . . . . . . B 67 LYS CA . 30093 2 817 . 2 . 2 67 67 LYS CB C 13 32.7304 . . . . . . . B 67 LYS CB . 30093 2 818 . 2 . 2 67 67 LYS CE C 13 42.0121 . . . . . . . B 67 LYS CE . 30093 2 819 . 2 . 2 67 67 LYS N N 15 124.5089 . . . . . . . B 67 LYS N . 30093 2 820 . 2 . 2 68 68 VAL H H 1 8.5425 . . . . . . . B 68 VAL H . 30093 2 821 . 2 . 2 68 68 VAL HA H 1 4.5646 . . . . . . . B 68 VAL HA . 30093 2 822 . 2 . 2 68 68 VAL HB H 1 2.1733 . . . . . . . B 68 VAL HB . 30093 2 823 . 2 . 2 68 68 VAL HG11 H 1 0.8475 . . . . . . . B 68 VAL HG11 . 30093 2 824 . 2 . 2 68 68 VAL HG12 H 1 0.8475 . . . . . . . B 68 VAL HG12 . 30093 2 825 . 2 . 2 68 68 VAL HG13 H 1 0.8475 . . . . . . . B 68 VAL HG13 . 30093 2 826 . 2 . 2 68 68 VAL HG21 H 1 0.9122 . . . . . . . B 68 VAL HG21 . 30093 2 827 . 2 . 2 68 68 VAL HG22 H 1 0.9122 . . . . . . . B 68 VAL HG22 . 30093 2 828 . 2 . 2 68 68 VAL HG23 H 1 0.9122 . . . . . . . B 68 VAL HG23 . 30093 2 829 . 2 . 2 68 68 VAL C C 13 173.2794 . . . . . . . B 68 VAL C . 30093 2 830 . 2 . 2 68 68 VAL CA C 13 62.0707 . . . . . . . B 68 VAL CA . 30093 2 831 . 2 . 2 68 68 VAL CB C 13 33.0348 . . . . . . . B 68 VAL CB . 30093 2 832 . 2 . 2 68 68 VAL CG1 C 13 19.7781 . . . . . . . B 68 VAL CG1 . 30093 2 833 . 2 . 2 68 68 VAL CG2 C 13 21.9498 . . . . . . . B 68 VAL CG2 . 30093 2 834 . 2 . 2 68 68 VAL N N 15 120.2745 . . . . . . . B 68 VAL N . 30093 2 835 . 2 . 2 69 69 LEU H H 1 7.3459 . . . . . . . B 69 LEU H . 30093 2 836 . 2 . 2 69 69 LEU HA H 1 4.4502 . . . . . . . B 69 LEU HA . 30093 2 837 . 2 . 2 69 69 LEU HB2 H 1 1.5801 . . . . . . . B 69 LEU HB2 . 30093 2 838 . 2 . 2 69 69 LEU HG H 1 1.5726 . . . . . . . B 69 LEU HG . 30093 2 839 . 2 . 2 69 69 LEU HD11 H 1 0.9709 . . . . . . . B 69 LEU HD11 . 30093 2 840 . 2 . 2 69 69 LEU HD12 H 1 0.9709 . . . . . . . B 69 LEU HD12 . 30093 2 841 . 2 . 2 69 69 LEU HD13 H 1 0.9709 . . . . . . . B 69 LEU HD13 . 30093 2 842 . 2 . 2 69 69 LEU HD21 H 1 1.0051 . . . . . . . B 69 LEU HD21 . 30093 2 843 . 2 . 2 69 69 LEU HD22 H 1 1.0051 . . . . . . . B 69 LEU HD22 . 30093 2 844 . 2 . 2 69 69 LEU HD23 H 1 1.0051 . . . . . . . B 69 LEU HD23 . 30093 2 845 . 2 . 2 69 69 LEU C C 13 175.2668 . . . . . . . B 69 LEU C . 30093 2 846 . 2 . 2 69 69 LEU CA C 13 52.3617 . . . . . . . B 69 LEU CA . 30093 2 847 . 2 . 2 69 69 LEU CB C 13 46.1676 . . . . . . . B 69 LEU CB . 30093 2 848 . 2 . 2 69 69 LEU CG C 13 27.1099 . . . . . . . B 69 LEU CG . 30093 2 849 . 2 . 2 69 69 LEU CD1 C 13 25.5091 . . . . . . . B 69 LEU CD1 . 30093 2 850 . 2 . 2 69 69 LEU CD2 C 13 24.098 . . . . . . . B 69 LEU CD2 . 30093 2 851 . 2 . 2 69 69 LEU N N 15 119.5725 . . . . . . . B 69 LEU N . 30093 2 852 . 2 . 2 70 70 PRO HA H 1 4.7483 . . . . . . . B 70 PRO HA . 30093 2 853 . 2 . 2 70 70 PRO HB2 H 1 2.0288 . . . . . . . B 70 PRO HB2 . 30093 2 854 . 2 . 2 70 70 PRO HB3 H 1 2.3599 . . . . . . . B 70 PRO HB3 . 30093 2 855 . 2 . 2 70 70 PRO HG2 H 1 1.8803 . . . . . . . B 70 PRO HG2 . 30093 2 856 . 2 . 2 70 70 PRO HG3 H 1 1.8803 . . . . . . . B 70 PRO HG3 . 30093 2 857 . 2 . 2 70 70 PRO HD2 H 1 3.5646 . . . . . . . B 70 PRO HD2 . 30093 2 858 . 2 . 2 70 70 PRO HD3 H 1 3.5646 . . . . . . . B 70 PRO HD3 . 30093 2 859 . 2 . 2 70 70 PRO CA C 13 61.9082 . . . . . . . B 70 PRO CA . 30093 2 860 . 2 . 2 70 70 PRO CB C 13 32.3482 . . . . . . . B 70 PRO CB . 30093 2 861 . 2 . 2 70 70 PRO CG C 13 25.1861 . . . . . . . B 70 PRO CG . 30093 2 862 . 2 . 2 70 70 PRO CD C 13 49.8839 . . . . . . . B 70 PRO CD . 30093 2 863 . 2 . 2 71 71 PRO HA H 1 4.1524 . . . . . . . B 71 PRO HA . 30093 2 864 . 2 . 2 71 71 PRO HB2 H 1 1.9337 . . . . . . . B 71 PRO HB2 . 30093 2 865 . 2 . 2 71 71 PRO HB3 H 1 2.4153 . . . . . . . B 71 PRO HB3 . 30093 2 866 . 2 . 2 71 71 PRO HG2 H 1 2.0419 . . . . . . . B 71 PRO HG2 . 30093 2 867 . 2 . 2 71 71 PRO HG3 H 1 2.0823 . . . . . . . B 71 PRO HG3 . 30093 2 868 . 2 . 2 71 71 PRO HD2 H 1 3.6069 . . . . . . . B 71 PRO HD2 . 30093 2 869 . 2 . 2 71 71 PRO HD3 H 1 3.7626 . . . . . . . B 71 PRO HD3 . 30093 2 870 . 2 . 2 71 71 PRO CA C 13 62.0321 . . . . . . . B 71 PRO CA . 30093 2 871 . 2 . 2 71 71 PRO CB C 13 30.3019 . . . . . . . B 71 PRO CB . 30093 2 872 . 2 . 2 71 71 PRO CG C 13 27.3399 . . . . . . . B 71 PRO CG . 30093 2 873 . 2 . 2 71 71 PRO CD C 13 50.0406 . . . . . . . B 71 PRO CD . 30093 2 874 . 2 . 2 72 72 PRO HA H 1 4.615 . . . . . . . B 72 PRO HA . 30093 2 875 . 2 . 2 72 72 PRO HB2 H 1 2.0558 . . . . . . . B 72 PRO HB2 . 30093 2 876 . 2 . 2 72 72 PRO HB3 H 1 2.3839 . . . . . . . B 72 PRO HB3 . 30093 2 877 . 2 . 2 72 72 PRO HG2 H 1 1.6972 . . . . . . . B 72 PRO HG2 . 30093 2 878 . 2 . 2 72 72 PRO HG3 H 1 1.9324 . . . . . . . B 72 PRO HG3 . 30093 2 879 . 2 . 2 72 72 PRO HD2 H 1 3.4218 . . . . . . . B 72 PRO HD2 . 30093 2 880 . 2 . 2 72 72 PRO HD3 H 1 3.495 . . . . . . . B 72 PRO HD3 . 30093 2 881 . 2 . 2 72 72 PRO C C 13 175.8855 . . . . . . . B 72 PRO C . 30093 2 882 . 2 . 2 72 72 PRO CA C 13 61.5743 . . . . . . . B 72 PRO CA . 30093 2 883 . 2 . 2 72 72 PRO CB C 13 35.2404 . . . . . . . B 72 PRO CB . 30093 2 884 . 2 . 2 72 72 PRO CG C 13 24.506 . . . . . . . B 72 PRO CG . 30093 2 885 . 2 . 2 72 72 PRO CD C 13 50.5415 . . . . . . . B 72 PRO CD . 30093 2 886 . 2 . 2 73 73 VAL H H 1 8.3658 . . . . . . . B 73 VAL H . 30093 2 887 . 2 . 2 73 73 VAL HA H 1 4.5227 . . . . . . . B 73 VAL HA . 30093 2 888 . 2 . 2 73 73 VAL HB H 1 1.9978 . . . . . . . B 73 VAL HB . 30093 2 889 . 2 . 2 73 73 VAL HG11 H 1 0.9518 . . . . . . . B 73 VAL HG11 . 30093 2 890 . 2 . 2 73 73 VAL HG12 H 1 0.9518 . . . . . . . B 73 VAL HG12 . 30093 2 891 . 2 . 2 73 73 VAL HG13 H 1 0.9518 . . . . . . . B 73 VAL HG13 . 30093 2 892 . 2 . 2 73 73 VAL HG21 H 1 0.9117 . . . . . . . B 73 VAL HG21 . 30093 2 893 . 2 . 2 73 73 VAL HG22 H 1 0.9117 . . . . . . . B 73 VAL HG22 . 30093 2 894 . 2 . 2 73 73 VAL HG23 H 1 0.9117 . . . . . . . B 73 VAL HG23 . 30093 2 895 . 2 . 2 73 73 VAL C C 13 176.8356 . . . . . . . B 73 VAL C . 30093 2 896 . 2 . 2 73 73 VAL CA C 13 63.046 . . . . . . . B 73 VAL CA . 30093 2 897 . 2 . 2 73 73 VAL CB C 13 31.5106 . . . . . . . B 73 VAL CB . 30093 2 898 . 2 . 2 73 73 VAL CG1 C 13 23.7573 . . . . . . . B 73 VAL CG1 . 30093 2 899 . 2 . 2 73 73 VAL CG2 C 13 21.3575 . . . . . . . B 73 VAL CG2 . 30093 2 900 . 2 . 2 73 73 VAL N N 15 121.2163 . . . . . . . B 73 VAL N . 30093 2 901 . 2 . 2 74 74 ARG H H 1 8.6093 . . . . . . . B 74 ARG H . 30093 2 902 . 2 . 2 74 74 ARG HA H 1 4.7935 . . . . . . . B 74 ARG HA . 30093 2 903 . 2 . 2 74 74 ARG HB2 H 1 1.693 . . . . . . . B 74 ARG HB2 . 30093 2 904 . 2 . 2 74 74 ARG HB3 H 1 1.784 . . . . . . . B 74 ARG HB3 . 30093 2 905 . 2 . 2 74 74 ARG HG2 H 1 1.6537 . . . . . . . B 74 ARG HG2 . 30093 2 906 . 2 . 2 74 74 ARG HG3 H 1 1.6537 . . . . . . . B 74 ARG HG3 . 30093 2 907 . 2 . 2 74 74 ARG HD2 H 1 3.1268 . . . . . . . B 74 ARG HD2 . 30093 2 908 . 2 . 2 74 74 ARG HD3 H 1 3.2792 . . . . . . . B 74 ARG HD3 . 30093 2 909 . 2 . 2 74 74 ARG C C 13 174.9766 . . . . . . . B 74 ARG C . 30093 2 910 . 2 . 2 74 74 ARG CA C 13 54.0001 . . . . . . . B 74 ARG CA . 30093 2 911 . 2 . 2 74 74 ARG CB C 13 34.0853 . . . . . . . B 74 ARG CB . 30093 2 912 . 2 . 2 74 74 ARG CG C 13 26.6475 . . . . . . . B 74 ARG CG . 30093 2 913 . 2 . 2 74 74 ARG CD C 13 43.1798 . . . . . . . B 74 ARG CD . 30093 2 914 . 2 . 2 74 74 ARG N N 15 125.8685 . . . . . . . B 74 ARG N . 30093 2 915 . 2 . 2 75 75 ARG H H 1 8.7104 . . . . . . . B 75 ARG H . 30093 2 916 . 2 . 2 75 75 ARG HA H 1 4.7559 . . . . . . . B 75 ARG HA . 30093 2 917 . 2 . 2 75 75 ARG HB2 H 1 1.6528 . . . . . . . B 75 ARG HB2 . 30093 2 918 . 2 . 2 75 75 ARG HB3 H 1 1.756 . . . . . . . B 75 ARG HB3 . 30093 2 919 . 2 . 2 75 75 ARG HG2 H 1 1.6284 . . . . . . . B 75 ARG HG2 . 30093 2 920 . 2 . 2 75 75 ARG HG3 H 1 1.6284 . . . . . . . B 75 ARG HG3 . 30093 2 921 . 2 . 2 75 75 ARG HD2 H 1 3.1353 . . . . . . . B 75 ARG HD2 . 30093 2 922 . 2 . 2 75 75 ARG HD3 H 1 3.244 . . . . . . . B 75 ARG HD3 . 30093 2 923 . 2 . 2 75 75 ARG C C 13 175.1176 . . . . . . . B 75 ARG C . 30093 2 924 . 2 . 2 75 75 ARG CA C 13 55.7112 . . . . . . . B 75 ARG CA . 30093 2 925 . 2 . 2 75 75 ARG CB C 13 31.9265 . . . . . . . B 75 ARG CB . 30093 2 926 . 2 . 2 75 75 ARG CG C 13 27.4653 . . . . . . . B 75 ARG CG . 30093 2 927 . 2 . 2 75 75 ARG CD C 13 43.2681 . . . . . . . B 75 ARG CD . 30093 2 928 . 2 . 2 75 75 ARG N N 15 123.31 . . . . . . . B 75 ARG N . 30093 2 929 . 2 . 2 76 76 ILE H H 1 8.8872 . . . . . . . B 76 ILE H . 30093 2 930 . 2 . 2 76 76 ILE HA H 1 4.3199 . . . . . . . B 76 ILE HA . 30093 2 931 . 2 . 2 76 76 ILE HB H 1 1.8103 . . . . . . . B 76 ILE HB . 30093 2 932 . 2 . 2 76 76 ILE HG12 H 1 1.1696 . . . . . . . B 76 ILE HG12 . 30093 2 933 . 2 . 2 76 76 ILE HG13 H 1 1.324 . . . . . . . B 76 ILE HG13 . 30093 2 934 . 2 . 2 76 76 ILE HG21 H 1 0.7817 . . . . . . . B 76 ILE HG21 . 30093 2 935 . 2 . 2 76 76 ILE HG22 H 1 0.7817 . . . . . . . B 76 ILE HG22 . 30093 2 936 . 2 . 2 76 76 ILE HG23 H 1 0.7817 . . . . . . . B 76 ILE HG23 . 30093 2 937 . 2 . 2 76 76 ILE HD11 H 1 0.6903 . . . . . . . B 76 ILE HD11 . 30093 2 938 . 2 . 2 76 76 ILE HD12 H 1 0.6903 . . . . . . . B 76 ILE HD12 . 30093 2 939 . 2 . 2 76 76 ILE HD13 H 1 0.6903 . . . . . . . B 76 ILE HD13 . 30093 2 940 . 2 . 2 76 76 ILE C C 13 174.696 . . . . . . . B 76 ILE C . 30093 2 941 . 2 . 2 76 76 ILE CA C 13 60.5964 . . . . . . . B 76 ILE CA . 30093 2 942 . 2 . 2 76 76 ILE CB C 13 38.7979 . . . . . . . B 76 ILE CB . 30093 2 943 . 2 . 2 76 76 ILE CG1 C 13 27.8177 . . . . . . . B 76 ILE CG1 . 30093 2 944 . 2 . 2 76 76 ILE CG2 C 13 17.6946 . . . . . . . B 76 ILE CG2 . 30093 2 945 . 2 . 2 76 76 ILE CD1 C 13 13.2105 . . . . . . . B 76 ILE CD1 . 30093 2 946 . 2 . 2 76 76 ILE N N 15 124.9498 . . . . . . . B 76 ILE N . 30093 2 947 . 2 . 2 77 77 ILE H H 1 8.1592 . . . . . . . B 77 ILE H . 30093 2 948 . 2 . 2 77 77 ILE HA H 1 4.4737 . . . . . . . B 77 ILE HA . 30093 2 949 . 2 . 2 77 77 ILE HB H 1 1.824 . . . . . . . B 77 ILE HB . 30093 2 950 . 2 . 2 77 77 ILE HG12 H 1 1.1784 . . . . . . . B 77 ILE HG12 . 30093 2 951 . 2 . 2 77 77 ILE HG13 H 1 1.4422 . . . . . . . B 77 ILE HG13 . 30093 2 952 . 2 . 2 77 77 ILE HG21 H 1 0.8353 . . . . . . . B 77 ILE HG21 . 30093 2 953 . 2 . 2 77 77 ILE HG22 H 1 0.8353 . . . . . . . B 77 ILE HG22 . 30093 2 954 . 2 . 2 77 77 ILE HG23 H 1 0.8353 . . . . . . . B 77 ILE HG23 . 30093 2 955 . 2 . 2 77 77 ILE HD11 H 1 0.8208 . . . . . . . B 77 ILE HD11 . 30093 2 956 . 2 . 2 77 77 ILE HD12 H 1 0.8208 . . . . . . . B 77 ILE HD12 . 30093 2 957 . 2 . 2 77 77 ILE HD13 H 1 0.8208 . . . . . . . B 77 ILE HD13 . 30093 2 958 . 2 . 2 77 77 ILE C C 13 175.5214 . . . . . . . B 77 ILE C . 30093 2 959 . 2 . 2 77 77 ILE CA C 13 60.4921 . . . . . . . B 77 ILE CA . 30093 2 960 . 2 . 2 77 77 ILE CB C 13 39.775 . . . . . . . B 77 ILE CB . 30093 2 961 . 2 . 2 77 77 ILE CG1 C 13 27.3624 . . . . . . . B 77 ILE CG1 . 30093 2 962 . 2 . 2 77 77 ILE CG2 C 13 17.6776 . . . . . . . B 77 ILE CG2 . 30093 2 963 . 2 . 2 77 77 ILE CD1 C 13 13.7218 . . . . . . . B 77 ILE CD1 . 30093 2 964 . 2 . 2 77 77 ILE N N 15 124.584 . . . . . . . B 77 ILE N . 30093 2 965 . 2 . 2 78 78 GLY H H 1 8.0846 . . . . . . . B 78 GLY H . 30093 2 966 . 2 . 2 78 78 GLY HA2 H 1 3.8734 . . . . . . . B 78 GLY HA2 . 30093 2 967 . 2 . 2 78 78 GLY HA3 H 1 4.1285 . . . . . . . B 78 GLY HA3 . 30093 2 968 . 2 . 2 78 78 GLY C C 13 172.3384 . . . . . . . B 78 GLY C . 30093 2 969 . 2 . 2 78 78 GLY CA C 13 44.5848 . . . . . . . B 78 GLY CA . 30093 2 970 . 2 . 2 78 78 GLY N N 15 112.0311 . . . . . . . B 78 GLY N . 30093 2 971 . 2 . 2 79 79 ASP HA H 1 4.5233 . . . . . . . B 79 ASP HA . 30093 2 972 . 2 . 2 79 79 ASP HB2 H 1 2.6518 . . . . . . . B 79 ASP HB2 . 30093 2 973 . 2 . 2 79 79 ASP HB3 H 1 2.7682 . . . . . . . B 79 ASP HB3 . 30093 2 974 . 2 . 2 79 79 ASP C C 13 176.567 . . . . . . . B 79 ASP C . 30093 2 975 . 2 . 2 79 79 ASP CA C 13 53.9657 . . . . . . . B 79 ASP CA . 30093 2 976 . 2 . 2 79 79 ASP CB C 13 40.9982 . . . . . . . B 79 ASP CB . 30093 2 977 . 2 . 2 80 80 LEU H H 1 8.2212 . . . . . . . B 80 LEU H . 30093 2 978 . 2 . 2 80 80 LEU HA H 1 4.0582 . . . . . . . B 80 LEU HA . 30093 2 979 . 2 . 2 80 80 LEU HB2 H 1 1.5577 . . . . . . . B 80 LEU HB2 . 30093 2 980 . 2 . 2 80 80 LEU HB3 H 1 1.6705 . . . . . . . B 80 LEU HB3 . 30093 2 981 . 2 . 2 80 80 LEU HG H 1 1.6837 . . . . . . . B 80 LEU HG . 30093 2 982 . 2 . 2 80 80 LEU HD11 H 1 0.6817 . . . . . . . B 80 LEU HD11 . 30093 2 983 . 2 . 2 80 80 LEU HD12 H 1 0.6817 . . . . . . . B 80 LEU HD12 . 30093 2 984 . 2 . 2 80 80 LEU HD13 H 1 0.6817 . . . . . . . B 80 LEU HD13 . 30093 2 985 . 2 . 2 80 80 LEU HD21 H 1 0.7501 . . . . . . . B 80 LEU HD21 . 30093 2 986 . 2 . 2 80 80 LEU HD22 H 1 0.7501 . . . . . . . B 80 LEU HD22 . 30093 2 987 . 2 . 2 80 80 LEU HD23 H 1 0.7501 . . . . . . . B 80 LEU HD23 . 30093 2 988 . 2 . 2 80 80 LEU C C 13 175.2658 . . . . . . . B 80 LEU C . 30093 2 989 . 2 . 2 80 80 LEU CA C 13 54.8597 . . . . . . . B 80 LEU CA . 30093 2 990 . 2 . 2 80 80 LEU CB C 13 41.0812 . . . . . . . B 80 LEU CB . 30093 2 991 . 2 . 2 80 80 LEU CG C 13 27.0281 . . . . . . . B 80 LEU CG . 30093 2 992 . 2 . 2 80 80 LEU CD1 C 13 23.3065 . . . . . . . B 80 LEU CD1 . 30093 2 993 . 2 . 2 80 80 LEU CD2 C 13 26.6838 . . . . . . . B 80 LEU CD2 . 30093 2 994 . 2 . 2 80 80 LEU N N 15 123.2518 . . . . . . . B 80 LEU N . 30093 2 995 . 2 . 2 81 81 SER H H 1 7.9855 . . . . . . . B 81 SER H . 30093 2 996 . 2 . 2 81 81 SER HA H 1 4.3168 . . . . . . . B 81 SER HA . 30093 2 997 . 2 . 2 81 81 SER HB2 H 1 3.755 . . . . . . . B 81 SER HB2 . 30093 2 998 . 2 . 2 81 81 SER HB3 H 1 3.9549 . . . . . . . B 81 SER HB3 . 30093 2 999 . 2 . 2 81 81 SER C C 13 174.0683 . . . . . . . B 81 SER C . 30093 2 1000 . 2 . 2 81 81 SER CA C 13 59.1078 . . . . . . . B 81 SER CA . 30093 2 1001 . 2 . 2 81 81 SER CB C 13 64.0153 . . . . . . . B 81 SER CB . 30093 2 1002 . 2 . 2 81 81 SER N N 15 109.9025 . . . . . . . B 81 SER N . 30093 2 1003 . 2 . 2 82 82 ASN H H 1 7.5229 . . . . . . . B 82 ASN H . 30093 2 1004 . 2 . 2 82 82 ASN HA H 1 4.7905 . . . . . . . B 82 ASN HA . 30093 2 1005 . 2 . 2 82 82 ASN HB2 H 1 2.6744 . . . . . . . B 82 ASN HB2 . 30093 2 1006 . 2 . 2 82 82 ASN HB3 H 1 3.0867 . . . . . . . B 82 ASN HB3 . 30093 2 1007 . 2 . 2 82 82 ASN C C 13 174.2909 . . . . . . . B 82 ASN C . 30093 2 1008 . 2 . 2 82 82 ASN CA C 13 52.0347 . . . . . . . B 82 ASN CA . 30093 2 1009 . 2 . 2 82 82 ASN CB C 13 39.0608 . . . . . . . B 82 ASN CB . 30093 2 1010 . 2 . 2 82 82 ASN N N 15 120.7448 . . . . . . . B 82 ASN N . 30093 2 1011 . 2 . 2 83 83 ARG HA H 1 3.6266 . . . . . . . B 83 ARG HA . 30093 2 1012 . 2 . 2 83 83 ARG HB2 H 1 1.7951 . . . . . . . B 83 ARG HB2 . 30093 2 1013 . 2 . 2 83 83 ARG HB3 H 1 1.9213 . . . . . . . B 83 ARG HB3 . 30093 2 1014 . 2 . 2 83 83 ARG HG2 H 1 1.4299 . . . . . . . B 83 ARG HG2 . 30093 2 1015 . 2 . 2 83 83 ARG HG3 H 1 1.5654 . . . . . . . B 83 ARG HG3 . 30093 2 1016 . 2 . 2 83 83 ARG HD2 H 1 3.1294 . . . . . . . B 83 ARG HD2 . 30093 2 1017 . 2 . 2 83 83 ARG HD3 H 1 3.1294 . . . . . . . B 83 ARG HD3 . 30093 2 1018 . 2 . 2 83 83 ARG C C 13 176.8232 . . . . . . . B 83 ARG C . 30093 2 1019 . 2 . 2 83 83 ARG CA C 13 60.1674 . . . . . . . B 83 ARG CA . 30093 2 1020 . 2 . 2 83 83 ARG CB C 13 30.4785 . . . . . . . B 83 ARG CB . 30093 2 1021 . 2 . 2 83 83 ARG CG C 13 27.71 . . . . . . . B 83 ARG CG . 30093 2 1022 . 2 . 2 83 83 ARG CD C 13 43.3085 . . . . . . . B 83 ARG CD . 30093 2 1023 . 2 . 2 84 84 GLU H H 1 8.1569 . . . . . . . B 84 GLU H . 30093 2 1024 . 2 . 2 84 84 GLU HA H 1 3.9888 . . . . . . . B 84 GLU HA . 30093 2 1025 . 2 . 2 84 84 GLU HB2 H 1 2.0641 . . . . . . . B 84 GLU HB2 . 30093 2 1026 . 2 . 2 84 84 GLU HB3 H 1 2.1462 . . . . . . . B 84 GLU HB3 . 30093 2 1027 . 2 . 2 84 84 GLU HG2 H 1 2.3246 . . . . . . . B 84 GLU HG2 . 30093 2 1028 . 2 . 2 84 84 GLU HG3 H 1 2.3246 . . . . . . . B 84 GLU HG3 . 30093 2 1029 . 2 . 2 84 84 GLU C C 13 178.853 . . . . . . . B 84 GLU C . 30093 2 1030 . 2 . 2 84 84 GLU CA C 13 60.082 . . . . . . . B 84 GLU CA . 30093 2 1031 . 2 . 2 84 84 GLU CB C 13 29.2801 . . . . . . . B 84 GLU CB . 30093 2 1032 . 2 . 2 84 84 GLU CG C 13 36.8263 . . . . . . . B 84 GLU CG . 30093 2 1033 . 2 . 2 84 84 GLU N N 15 116.8724 . . . . . . . B 84 GLU N . 30093 2 1034 . 2 . 2 85 85 LYS H H 1 7.6346 . . . . . . . B 85 LYS H . 30093 2 1035 . 2 . 2 85 85 LYS HA H 1 4.0375 . . . . . . . B 85 LYS HA . 30093 2 1036 . 2 . 2 85 85 LYS HB2 H 1 1.9101 . . . . . . . B 85 LYS HB2 . 30093 2 1037 . 2 . 2 85 85 LYS HB3 H 1 1.9101 . . . . . . . B 85 LYS HB3 . 30093 2 1038 . 2 . 2 85 85 LYS HG2 H 1 1.4197 . . . . . . . B 85 LYS HG2 . 30093 2 1039 . 2 . 2 85 85 LYS HG3 H 1 1.5834 . . . . . . . B 85 LYS HG3 . 30093 2 1040 . 2 . 2 85 85 LYS HD2 H 1 1.5964 . . . . . . . B 85 LYS HD2 . 30093 2 1041 . 2 . 2 85 85 LYS HD3 H 1 1.7178 . . . . . . . B 85 LYS HD3 . 30093 2 1042 . 2 . 2 85 85 LYS HE2 H 1 2.9973 . . . . . . . B 85 LYS HE2 . 30093 2 1043 . 2 . 2 85 85 LYS HE3 H 1 2.9973 . . . . . . . B 85 LYS HE3 . 30093 2 1044 . 2 . 2 85 85 LYS C C 13 179.7822 . . . . . . . B 85 LYS C . 30093 2 1045 . 2 . 2 85 85 LYS CA C 13 58.9361 . . . . . . . B 85 LYS CA . 30093 2 1046 . 2 . 2 85 85 LYS CB C 13 32.4757 . . . . . . . B 85 LYS CB . 30093 2 1047 . 2 . 2 85 85 LYS CG C 13 25.7429 . . . . . . . B 85 LYS CG . 30093 2 1048 . 2 . 2 85 85 LYS CD C 13 29.0022 . . . . . . . B 85 LYS CD . 30093 2 1049 . 2 . 2 85 85 LYS CE C 13 42.0927 . . . . . . . B 85 LYS CE . 30093 2 1050 . 2 . 2 85 85 LYS N N 15 117.1452 . . . . . . . B 85 LYS N . 30093 2 1051 . 2 . 2 86 86 VAL H H 1 7.966 . . . . . . . B 86 VAL H . 30093 2 1052 . 2 . 2 86 86 VAL HA H 1 3.4704 . . . . . . . B 86 VAL HA . 30093 2 1053 . 2 . 2 86 86 VAL HB H 1 2.0037 . . . . . . . B 86 VAL HB . 30093 2 1054 . 2 . 2 86 86 VAL C C 13 177.0536 . . . . . . . B 86 VAL C . 30093 2 1055 . 2 . 2 86 86 VAL CA C 13 66.7647 . . . . . . . B 86 VAL CA . 30093 2 1056 . 2 . 2 86 86 VAL CB C 13 31.3687 . . . . . . . B 86 VAL CB . 30093 2 1057 . 2 . 2 86 86 VAL N N 15 120.5554 . . . . . . . B 86 VAL N . 30093 2 1058 . 2 . 2 87 87 LEU H H 1 8.3142 . . . . . . . B 87 LEU H . 30093 2 1059 . 2 . 2 87 87 LEU HA H 1 4.022 . . . . . . . B 87 LEU HA . 30093 2 1060 . 2 . 2 87 87 LEU HB2 H 1 1.8026 . . . . . . . B 87 LEU HB2 . 30093 2 1061 . 2 . 2 87 87 LEU HB3 H 1 1.8616 . . . . . . . B 87 LEU HB3 . 30093 2 1062 . 2 . 2 87 87 LEU HG H 1 1.7628 . . . . . . . B 87 LEU HG . 30093 2 1063 . 2 . 2 87 87 LEU HD11 H 1 0.9643 . . . . . . . B 87 LEU HD11 . 30093 2 1064 . 2 . 2 87 87 LEU HD12 H 1 0.9643 . . . . . . . B 87 LEU HD12 . 30093 2 1065 . 2 . 2 87 87 LEU HD13 H 1 0.9643 . . . . . . . B 87 LEU HD13 . 30093 2 1066 . 2 . 2 87 87 LEU C C 13 179.0631 . . . . . . . B 87 LEU C . 30093 2 1067 . 2 . 2 87 87 LEU CA C 13 59.2601 . . . . . . . B 87 LEU CA . 30093 2 1068 . 2 . 2 87 87 LEU CB C 13 42.1346 . . . . . . . B 87 LEU CB . 30093 2 1069 . 2 . 2 87 87 LEU CG C 13 27.5718 . . . . . . . B 87 LEU CG . 30093 2 1070 . 2 . 2 87 87 LEU CD1 C 13 25.1273 . . . . . . . B 87 LEU CD1 . 30093 2 1071 . 2 . 2 87 87 LEU N N 15 120.2131 . . . . . . . B 87 LEU N . 30093 2 1072 . 2 . 2 88 88 ILE H H 1 7.6991 . . . . . . . B 88 ILE H . 30093 2 1073 . 2 . 2 88 88 ILE HA H 1 3.7081 . . . . . . . B 88 ILE HA . 30093 2 1074 . 2 . 2 88 88 ILE HB H 1 1.8881 . . . . . . . B 88 ILE HB . 30093 2 1075 . 2 . 2 88 88 ILE HG12 H 1 1.2323 . . . . . . . B 88 ILE HG12 . 30093 2 1076 . 2 . 2 88 88 ILE HG13 H 1 1.8119 . . . . . . . B 88 ILE HG13 . 30093 2 1077 . 2 . 2 88 88 ILE HG21 H 1 0.9704 . . . . . . . B 88 ILE HG21 . 30093 2 1078 . 2 . 2 88 88 ILE HG22 H 1 0.9704 . . . . . . . B 88 ILE HG22 . 30093 2 1079 . 2 . 2 88 88 ILE HG23 H 1 0.9704 . . . . . . . B 88 ILE HG23 . 30093 2 1080 . 2 . 2 88 88 ILE HD11 H 1 0.9004 . . . . . . . B 88 ILE HD11 . 30093 2 1081 . 2 . 2 88 88 ILE HD12 H 1 0.9004 . . . . . . . B 88 ILE HD12 . 30093 2 1082 . 2 . 2 88 88 ILE HD13 H 1 0.9004 . . . . . . . B 88 ILE HD13 . 30093 2 1083 . 2 . 2 88 88 ILE C C 13 178.0864 . . . . . . . B 88 ILE C . 30093 2 1084 . 2 . 2 88 88 ILE CA C 13 65.0683 . . . . . . . B 88 ILE CA . 30093 2 1085 . 2 . 2 88 88 ILE CB C 13 38.2693 . . . . . . . B 88 ILE CB . 30093 2 1086 . 2 . 2 88 88 ILE CG1 C 13 29.3735 . . . . . . . B 88 ILE CG1 . 30093 2 1087 . 2 . 2 88 88 ILE CG2 C 13 17.173 . . . . . . . B 88 ILE CG2 . 30093 2 1088 . 2 . 2 88 88 ILE CD1 C 13 13.3309 . . . . . . . B 88 ILE CD1 . 30093 2 1089 . 2 . 2 88 88 ILE N N 15 117.5595 . . . . . . . B 88 ILE N . 30093 2 1090 . 2 . 2 89 89 ALA H H 1 7.6284 . . . . . . . B 89 ALA H . 30093 2 1091 . 2 . 2 89 89 ALA HA H 1 4.0802 . . . . . . . B 89 ALA HA . 30093 2 1092 . 2 . 2 89 89 ALA HB1 H 1 1.4377 . . . . . . . B 89 ALA HB1 . 30093 2 1093 . 2 . 2 89 89 ALA HB2 H 1 1.4377 . . . . . . . B 89 ALA HB2 . 30093 2 1094 . 2 . 2 89 89 ALA HB3 H 1 1.4377 . . . . . . . B 89 ALA HB3 . 30093 2 1095 . 2 . 2 89 89 ALA C C 13 180.4842 . . . . . . . B 89 ALA C . 30093 2 1096 . 2 . 2 89 89 ALA CA C 13 55.3927 . . . . . . . B 89 ALA CA . 30093 2 1097 . 2 . 2 89 89 ALA CB C 13 18.049 . . . . . . . B 89 ALA CB . 30093 2 1098 . 2 . 2 89 89 ALA N N 15 121.3959 . . . . . . . B 89 ALA N . 30093 2 1099 . 2 . 2 90 90 LEU H H 1 8.441 . . . . . . . B 90 LEU H . 30093 2 1100 . 2 . 2 90 90 LEU HA H 1 3.8659 . . . . . . . B 90 LEU HA . 30093 2 1101 . 2 . 2 90 90 LEU HB2 H 1 0.607 . . . . . . . B 90 LEU HB2 . 30093 2 1102 . 2 . 2 90 90 LEU HB3 H 1 1.6877 . . . . . . . B 90 LEU HB3 . 30093 2 1103 . 2 . 2 90 90 LEU HG H 1 1.5689 . . . . . . . B 90 LEU HG . 30093 2 1104 . 2 . 2 90 90 LEU HD11 H 1 0.2281 . . . . . . . B 90 LEU HD11 . 30093 2 1105 . 2 . 2 90 90 LEU HD12 H 1 0.2281 . . . . . . . B 90 LEU HD12 . 30093 2 1106 . 2 . 2 90 90 LEU HD13 H 1 0.2281 . . . . . . . B 90 LEU HD13 . 30093 2 1107 . 2 . 2 90 90 LEU HD21 H 1 0.3925 . . . . . . . B 90 LEU HD21 . 30093 2 1108 . 2 . 2 90 90 LEU HD22 H 1 0.3925 . . . . . . . B 90 LEU HD22 . 30093 2 1109 . 2 . 2 90 90 LEU HD23 H 1 0.3925 . . . . . . . B 90 LEU HD23 . 30093 2 1110 . 2 . 2 90 90 LEU C C 13 179.9597 . . . . . . . B 90 LEU C . 30093 2 1111 . 2 . 2 90 90 LEU CA C 13 57.1945 . . . . . . . B 90 LEU CA . 30093 2 1112 . 2 . 2 90 90 LEU CB C 13 41.7817 . . . . . . . B 90 LEU CB . 30093 2 1113 . 2 . 2 90 90 LEU CG C 13 26.8443 . . . . . . . B 90 LEU CG . 30093 2 1114 . 2 . 2 90 90 LEU CD1 C 13 22.4515 . . . . . . . B 90 LEU CD1 . 30093 2 1115 . 2 . 2 90 90 LEU CD2 C 13 26.4773 . . . . . . . B 90 LEU CD2 . 30093 2 1116 . 2 . 2 90 90 LEU N N 15 116.2535 . . . . . . . B 90 LEU N . 30093 2 1117 . 2 . 2 91 91 ARG H H 1 8.4734 . . . . . . . B 91 ARG H . 30093 2 1118 . 2 . 2 91 91 ARG HA H 1 4.2886 . . . . . . . B 91 ARG HA . 30093 2 1119 . 2 . 2 91 91 ARG HB2 H 1 2.0992 . . . . . . . B 91 ARG HB2 . 30093 2 1120 . 2 . 2 91 91 ARG HB3 H 1 2.188 . . . . . . . B 91 ARG HB3 . 30093 2 1121 . 2 . 2 91 91 ARG HG2 H 1 1.8373 . . . . . . . B 91 ARG HG2 . 30093 2 1122 . 2 . 2 91 91 ARG HG3 H 1 2.0309 . . . . . . . B 91 ARG HG3 . 30093 2 1123 . 2 . 2 91 91 ARG HD2 H 1 3.231 . . . . . . . B 91 ARG HD2 . 30093 2 1124 . 2 . 2 91 91 ARG HD3 H 1 3.2713 . . . . . . . B 91 ARG HD3 . 30093 2 1125 . 2 . 2 91 91 ARG C C 13 178.8595 . . . . . . . B 91 ARG C . 30093 2 1126 . 2 . 2 91 91 ARG CA C 13 59.8801 . . . . . . . B 91 ARG CA . 30093 2 1127 . 2 . 2 91 91 ARG CB C 13 29.9877 . . . . . . . B 91 ARG CB . 30093 2 1128 . 2 . 2 91 91 ARG CG C 13 28.0468 . . . . . . . B 91 ARG CG . 30093 2 1129 . 2 . 2 91 91 ARG CD C 13 43.6128 . . . . . . . B 91 ARG CD . 30093 2 1130 . 2 . 2 91 91 ARG N N 15 122.7034 . . . . . . . B 91 ARG N . 30093 2 1131 . 2 . 2 92 92 LEU H H 1 8.0307 . . . . . . . B 92 LEU H . 30093 2 1132 . 2 . 2 92 92 LEU HA H 1 4.1571 . . . . . . . B 92 LEU HA . 30093 2 1133 . 2 . 2 92 92 LEU HB2 H 1 1.6193 . . . . . . . B 92 LEU HB2 . 30093 2 1134 . 2 . 2 92 92 LEU HB3 H 1 1.9014 . . . . . . . B 92 LEU HB3 . 30093 2 1135 . 2 . 2 92 92 LEU HG H 1 1.8465 . . . . . . . B 92 LEU HG . 30093 2 1136 . 2 . 2 92 92 LEU HD11 H 1 0.8957 . . . . . . . B 92 LEU HD11 . 30093 2 1137 . 2 . 2 92 92 LEU HD12 H 1 0.8957 . . . . . . . B 92 LEU HD12 . 30093 2 1138 . 2 . 2 92 92 LEU HD13 H 1 0.8957 . . . . . . . B 92 LEU HD13 . 30093 2 1139 . 2 . 2 92 92 LEU HD21 H 1 0.9119 . . . . . . . B 92 LEU HD21 . 30093 2 1140 . 2 . 2 92 92 LEU HD22 H 1 0.9119 . . . . . . . B 92 LEU HD22 . 30093 2 1141 . 2 . 2 92 92 LEU HD23 H 1 0.9119 . . . . . . . B 92 LEU HD23 . 30093 2 1142 . 2 . 2 92 92 LEU C C 13 180.4258 . . . . . . . B 92 LEU C . 30093 2 1143 . 2 . 2 92 92 LEU CA C 13 57.9201 . . . . . . . B 92 LEU CA . 30093 2 1144 . 2 . 2 92 92 LEU CB C 13 41.5644 . . . . . . . B 92 LEU CB . 30093 2 1145 . 2 . 2 92 92 LEU CG C 13 26.9773 . . . . . . . B 92 LEU CG . 30093 2 1146 . 2 . 2 92 92 LEU CD1 C 13 23.3134 . . . . . . . B 92 LEU CD1 . 30093 2 1147 . 2 . 2 92 92 LEU CD2 C 13 25.2643 . . . . . . . B 92 LEU CD2 . 30093 2 1148 . 2 . 2 92 92 LEU N N 15 120.5414 . . . . . . . B 92 LEU N . 30093 2 1149 . 2 . 2 93 93 LEU H H 1 7.8508 . . . . . . . B 93 LEU H . 30093 2 1150 . 2 . 2 93 93 LEU HA H 1 4.096 . . . . . . . B 93 LEU HA . 30093 2 1151 . 2 . 2 93 93 LEU HB2 H 1 1.5642 . . . . . . . B 93 LEU HB2 . 30093 2 1152 . 2 . 2 93 93 LEU HB3 H 1 1.7994 . . . . . . . B 93 LEU HB3 . 30093 2 1153 . 2 . 2 93 93 LEU HG H 1 1.8612 . . . . . . . B 93 LEU HG . 30093 2 1154 . 2 . 2 93 93 LEU HD11 H 1 0.7542 . . . . . . . B 93 LEU HD11 . 30093 2 1155 . 2 . 2 93 93 LEU HD12 H 1 0.7542 . . . . . . . B 93 LEU HD12 . 30093 2 1156 . 2 . 2 93 93 LEU HD13 H 1 0.7542 . . . . . . . B 93 LEU HD13 . 30093 2 1157 . 2 . 2 93 93 LEU C C 13 178.1756 . . . . . . . B 93 LEU C . 30093 2 1158 . 2 . 2 93 93 LEU CA C 13 57.2284 . . . . . . . B 93 LEU CA . 30093 2 1159 . 2 . 2 93 93 LEU CB C 13 41.9222 . . . . . . . B 93 LEU CB . 30093 2 1160 . 2 . 2 93 93 LEU CG C 13 26.5731 . . . . . . . B 93 LEU CG . 30093 2 1161 . 2 . 2 93 93 LEU CD1 C 13 24.7923 . . . . . . . B 93 LEU CD1 . 30093 2 1162 . 2 . 2 93 93 LEU N N 15 118.9456 . . . . . . . B 93 LEU N . 30093 2 1163 . 2 . 2 94 94 ALA H H 1 7.7224 . . . . . . . B 94 ALA H . 30093 2 1164 . 2 . 2 94 94 ALA HA H 1 4.0571 . . . . . . . B 94 ALA HA . 30093 2 1165 . 2 . 2 94 94 ALA HB1 H 1 1.5879 . . . . . . . B 94 ALA HB1 . 30093 2 1166 . 2 . 2 94 94 ALA HB2 H 1 1.5879 . . . . . . . B 94 ALA HB2 . 30093 2 1167 . 2 . 2 94 94 ALA HB3 H 1 1.5879 . . . . . . . B 94 ALA HB3 . 30093 2 1168 . 2 . 2 94 94 ALA C C 13 179.8475 . . . . . . . B 94 ALA C . 30093 2 1169 . 2 . 2 94 94 ALA CA C 13 54.483 . . . . . . . B 94 ALA CA . 30093 2 1170 . 2 . 2 94 94 ALA CB C 13 18.1265 . . . . . . . B 94 ALA CB . 30093 2 1171 . 2 . 2 94 94 ALA N N 15 121.1956 . . . . . . . B 94 ALA N . 30093 2 1172 . 2 . 2 95 95 GLU H H 1 7.7482 . . . . . . . B 95 GLU H . 30093 2 1173 . 2 . 2 95 95 GLU HA H 1 4.154 . . . . . . . B 95 GLU HA . 30093 2 1174 . 2 . 2 95 95 GLU HB2 H 1 2.163 . . . . . . . B 95 GLU HB2 . 30093 2 1175 . 2 . 2 95 95 GLU HB3 H 1 2.163 . . . . . . . B 95 GLU HB3 . 30093 2 1176 . 2 . 2 95 95 GLU HG2 H 1 2.511 . . . . . . . B 95 GLU HG2 . 30093 2 1177 . 2 . 2 95 95 GLU HG3 H 1 2.511 . . . . . . . B 95 GLU HG3 . 30093 2 1178 . 2 . 2 95 95 GLU C C 13 177.9897 . . . . . . . B 95 GLU C . 30093 2 1179 . 2 . 2 95 95 GLU CA C 13 58.2703 . . . . . . . B 95 GLU CA . 30093 2 1180 . 2 . 2 95 95 GLU CB C 13 29.8257 . . . . . . . B 95 GLU CB . 30093 2 1181 . 2 . 2 95 95 GLU CG C 13 36.4724 . . . . . . . B 95 GLU CG . 30093 2 1182 . 2 . 2 95 95 GLU N N 15 117.9204 . . . . . . . B 95 GLU N . 30093 2 1183 . 2 . 2 96 96 GLU H H 1 7.7909 . . . . . . . B 96 GLU H . 30093 2 1184 . 2 . 2 96 96 GLU HA H 1 4.2636 . . . . . . . B 96 GLU HA . 30093 2 1185 . 2 . 2 96 96 GLU HB2 H 1 2.1697 . . . . . . . B 96 GLU HB2 . 30093 2 1186 . 2 . 2 96 96 GLU HB3 H 1 2.1697 . . . . . . . B 96 GLU HB3 . 30093 2 1187 . 2 . 2 96 96 GLU HG2 H 1 2.2445 . . . . . . . B 96 GLU HG2 . 30093 2 1188 . 2 . 2 96 96 GLU HG3 H 1 2.3613 . . . . . . . B 96 GLU HG3 . 30093 2 1189 . 2 . 2 96 96 GLU C C 13 178.0448 . . . . . . . B 96 GLU C . 30093 2 1190 . 2 . 2 96 96 GLU CA C 13 57.7762 . . . . . . . B 96 GLU CA . 30093 2 1191 . 2 . 2 96 96 GLU CB C 13 30.0923 . . . . . . . B 96 GLU CB . 30093 2 1192 . 2 . 2 96 96 GLU CG C 13 36.5065 . . . . . . . B 96 GLU CG . 30093 2 1193 . 2 . 2 96 96 GLU N N 15 119.3358 . . . . . . . B 96 GLU N . 30093 2 1194 . 2 . 2 97 97 ILE H H 1 7.8979 . . . . . . . B 97 ILE H . 30093 2 1195 . 2 . 2 97 97 ILE HA H 1 3.9851 . . . . . . . B 97 ILE HA . 30093 2 1196 . 2 . 2 97 97 ILE HB H 1 1.9286 . . . . . . . B 97 ILE HB . 30093 2 1197 . 2 . 2 97 97 ILE HG21 H 1 0.9028 . . . . . . . B 97 ILE HG21 . 30093 2 1198 . 2 . 2 97 97 ILE HG22 H 1 0.9028 . . . . . . . B 97 ILE HG22 . 30093 2 1199 . 2 . 2 97 97 ILE HG23 H 1 0.9028 . . . . . . . B 97 ILE HG23 . 30093 2 1200 . 2 . 2 97 97 ILE C C 13 177.0537 . . . . . . . B 97 ILE C . 30093 2 1201 . 2 . 2 97 97 ILE CA C 13 62.9128 . . . . . . . B 97 ILE CA . 30093 2 1202 . 2 . 2 97 97 ILE CB C 13 38.5135 . . . . . . . B 97 ILE CB . 30093 2 1203 . 2 . 2 97 97 ILE CG2 C 13 17.7022 . . . . . . . B 97 ILE CG2 . 30093 2 1204 . 2 . 2 97 97 ILE N N 15 118.4743 . . . . . . . B 97 ILE N . 30093 2 1205 . 2 . 2 98 98 GLY H H 1 7.9212 . . . . . . . B 98 GLY H . 30093 2 1206 . 2 . 2 98 98 GLY HA2 H 1 3.9367 . . . . . . . B 98 GLY HA2 . 30093 2 1207 . 2 . 2 98 98 GLY HA3 H 1 3.9367 . . . . . . . B 98 GLY HA3 . 30093 2 1208 . 2 . 2 98 98 GLY C C 13 173.7108 . . . . . . . B 98 GLY C . 30093 2 1209 . 2 . 2 98 98 GLY CA C 13 45.7105 . . . . . . . B 98 GLY CA . 30093 2 1210 . 2 . 2 98 98 GLY N N 15 108.6561 . . . . . . . B 98 GLY N . 30093 2 1211 . 2 . 2 99 99 ASP H H 1 7.8685 . . . . . . . B 99 ASP H . 30093 2 1212 . 2 . 2 99 99 ASP HA H 1 4.684 . . . . . . . B 99 ASP HA . 30093 2 1213 . 2 . 2 99 99 ASP HB2 H 1 2.5595 . . . . . . . B 99 ASP HB2 . 30093 2 1214 . 2 . 2 99 99 ASP HB3 H 1 2.6888 . . . . . . . B 99 ASP HB3 . 30093 2 1215 . 2 . 2 99 99 ASP C C 13 175.7431 . . . . . . . B 99 ASP C . 30093 2 1216 . 2 . 2 99 99 ASP CA C 13 54.0531 . . . . . . . B 99 ASP CA . 30093 2 1217 . 2 . 2 99 99 ASP CB C 13 41.4653 . . . . . . . B 99 ASP CB . 30093 2 1218 . 2 . 2 99 99 ASP N N 15 119.9942 . . . . . . . B 99 ASP N . 30093 2 1219 . 2 . 2 100 100 TYR H H 1 7.873 . . . . . . . B 100 TYR H . 30093 2 1220 . 2 . 2 100 100 TYR HA H 1 4.4931 . . . . . . . B 100 TYR HA . 30093 2 1221 . 2 . 2 100 100 TYR HB2 H 1 3.0206 . . . . . . . B 100 TYR HB2 . 30093 2 1222 . 2 . 2 100 100 TYR HB3 H 1 3.0206 . . . . . . . B 100 TYR HB3 . 30093 2 1223 . 2 . 2 100 100 TYR C C 13 175.309 . . . . . . . B 100 TYR C . 30093 2 1224 . 2 . 2 100 100 TYR CA C 13 58.2176 . . . . . . . B 100 TYR CA . 30093 2 1225 . 2 . 2 100 100 TYR CB C 13 38.7843 . . . . . . . B 100 TYR CB . 30093 2 1226 . 2 . 2 100 100 TYR N N 15 120.9064 . . . . . . . B 100 TYR N . 30093 2 1227 . 2 . 2 101 101 LYS H H 1 7.9356 . . . . . . . B 101 LYS H . 30093 2 1228 . 2 . 2 101 101 LYS HA H 1 4.3332 . . . . . . . B 101 LYS HA . 30093 2 1229 . 2 . 2 101 101 LYS HB2 H 1 1.679 . . . . . . . B 101 LYS HB2 . 30093 2 1230 . 2 . 2 101 101 LYS HB3 H 1 1.7837 . . . . . . . B 101 LYS HB3 . 30093 2 1231 . 2 . 2 101 101 LYS HG2 H 1 1.3706 . . . . . . . B 101 LYS HG2 . 30093 2 1232 . 2 . 2 101 101 LYS HG3 H 1 1.3706 . . . . . . . B 101 LYS HG3 . 30093 2 1233 . 2 . 2 101 101 LYS C C 13 175.5349 . . . . . . . B 101 LYS C . 30093 2 1234 . 2 . 2 101 101 LYS CA C 13 55.635 . . . . . . . B 101 LYS CA . 30093 2 1235 . 2 . 2 101 101 LYS CB C 13 33.6889 . . . . . . . B 101 LYS CB . 30093 2 1236 . 2 . 2 101 101 LYS CG C 13 24.4712 . . . . . . . B 101 LYS CG . 30093 2 1237 . 2 . 2 101 101 LYS N N 15 124.228 . . . . . . . B 101 LYS N . 30093 2 1238 . 2 . 2 102 102 ASP H H 1 8.1509 . . . . . . . B 102 ASP H . 30093 2 1239 . 2 . 2 102 102 ASP C C 13 175.9952 . . . . . . . B 102 ASP C . 30093 2 1240 . 2 . 2 102 102 ASP CA C 13 54.4722 . . . . . . . B 102 ASP CA . 30093 2 1241 . 2 . 2 102 102 ASP CB C 13 41.6258 . . . . . . . B 102 ASP CB . 30093 2 1242 . 2 . 2 102 102 ASP N N 15 121.8701 . . . . . . . B 102 ASP N . 30093 2 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 30093 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 5 _Spectral_peak_list.Sample_label $sample_5 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID . _Spectral_peak_list.Chem_shift_reference_label . _Spectral_peak_list.Experiment_ID 6 _Spectral_peak_list.Experiment_name '15N, 13C edited 4D NOESY-HSQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 4 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details ; Residue numbering for CikA is offset by 612. For example, residues 613 to 729 in CikA is residue 1 to 117 in this peak list. Residue numbering for KaiB is offset by 200. For example, residue 1 to 106 in KaiB is residue 201 to 306 in this peak list. ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # pipp Peak Pick Table, File: a.PCK # Path: /mnt/hgfs/Desktop/data/xipp_assignment_50C_complex/nmr_data_ThCikA_complex/4D-N15-C13-internoe-noesy_redo # User: yonggang # Date: Fri Jul 17 19:54:23 2015 # # Input Parameters: # DATA DIMCOUNT 4 # DATA X_AXIS 128 4809.06 601.13 3928.403 PPM 0.01 # DATA Y_AXIS 512 3605.77 601.13 6331.907 PPM 0.01 # DATA Z_AXIS 32 3023.21 151.16 8011.198 PPM 0.63 # DATA A_AXIS 32 1583.90 60.92 8062.662 PPM 0.08 # HZ_START_X: -1.4PPM HZ_END_X: 6.53PPM # HZ_START_Y: 4.5PPM HZ_END_Y: 10.53PPM # SLICE_START_Z: 0 SLICE_END_Z: 32 # SLICE_START_A: 0 SLICE_END_A: 32 # PK_X_DEV: 10.0, PK_Y_DEV: 10.0; PK_MIN_LEVALS: 2 # MAX_PARAB_XDEV: 36.07, MAX_PARAB_YDEV: 240.45 # MIN_UNIQUE_X: 28.18; MIN_UNIQUE_Y: 5.28; MIN_UNIQUE_Z: 70.86; MIN_UNIQUE_A: 37.12 # FORMAT %4d %3d %3d %7.2f %7.2f %7.2f %7.2f %+8.2e %s %s VARS PkID Sl.A Sl.Z X Y Z A Intensity Assign1 Assign2 8 19 18 1.11 7.91 42.15 117.88 +8.53e+06 T207.CG2,HG2#; S19.N,HN 7 19 20 1.50 7.91 41.05 117.79 +6.86e+06 A241.CB,HB#; S19.N,HN 5 22 20 1.47 8.44 41.02 115.30 +5.47e+06 A241.CB,HB#; C18.N,HN ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN . 'not observed' 7211.539 Hz . . . 2828.00 . . 30093 1 2 . . N 15 N . folded 1583.899 Hz . . . 7278.86 . . 30093 1 3 . . H 1 H-aliphatic . 'not observed' 4809.062 Hz . . . 2828.00 . . 30093 1 4 . . C 13 C-aliphatic . folded 3023.208 Hz . . . 6121.94 . . 30093 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 3 $software_3 . . 30093 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 30093 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID . _Spectral_peak_list.Chem_shift_reference_label . _Spectral_peak_list.Experiment_ID 16 _Spectral_peak_list.Experiment_name '3D 15N edited 1H-15N NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details ; Residue numbering for CikA is offset by 612. For example, residues 613 to 729 in CikA is residue 1 to 117 in this peak list. ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Peak Pick Table, File: n15noesy_v8.PCK # # Input Parameters: DATA DIMCOUNT 3 DATA X_AXIS 1024 4807.69 601.13 7534.430 PPM 0.00 DATA Y_AXIS 256 5590.54 601.13 5456.492 PPM 0.00 DATA Z_AXIS 128 1583.90 60.92 8099.846 PPM 0.00 # FORMAT %4d %4d %9.4f %9.4f %9.4f %+8.2e %10s VARS PkID Sl.Z X Y Z Intensity Assign 792 3 7.9022 3.5339 132.5929 +1.52e+07 G108.N,HN; G108.HA2 799 3 7.9043 2.8870 132.5826 +7.25e+06 G108.N,HN; R90.HD2 794 3 7.9041 4.2131 132.5735 +1.43e+07 G108.N,HN; M107.HA 793 3 7.9101 4.0138 132.5461 +1.81e+07 G108.N,HN; G108.HA1 800 3 7.9017 2.6196 132.5456 +6.14e+06 G108.N,HN; Q104.HG1 789 3 7.9059 2.0393 132.5433 +1.05e+07 G108.N,HN; M107.HB2 795 3 7.9159 0.7770 132.5349 +4.59e+06 G108.N,HN; L109.HD2# 178 6 10.0640 0.8699 131.9529 +1.31e+07 W30.N,HN; I29.HG2# 181 6 10.0574 5.1372 131.9386 +1.01e+07 W30.N,HN; I29.HA 151 8 7.7732 4.1482 131.6271 +2.09e+07 G25.N,HN; G25.HA1 148 8 7.7655 1.6915 131.6152 +1.93e+07 G25.N,HN; A24.HB# 152 8 7.7647 4.4017 131.6054 +1.13e+07 G25.N,HN; A24.HA 150 8 7.7682 3.5458 131.5948 +1.77e+07 G25.N,HN; G25.HA2 154 8 7.7664 4.6677 131.5859 +8.69e+06 G25.N,HN; T22.HA 848 9 9.1729 0.2625 131.3809 +5.13e+06 L6.N,HN; L6.HD1# 37 9 9.1619 5.4014 131.3279 +1.64e+07 L6.N,HN; V5.HA 34 9 9.1647 0.9726 131.3189 +3.96e+07 L6.N,HN; V5.HG2# 33 9 9.1636 0.7338 131.3026 +1.38e+07 L6.N,HN; L6.HD2# 35 9 9.1651 1.6295 131.2809 +9.93e+06 L6.N,HN; L6.HB1 36 9 9.1596 1.7781 131.2671 +9.25e+06 L6.N,HN; L48.HB1 5 13 10.3556 3.3717 130.5777 +6.61e+06 W30.NE1,HE1; S8.HB2 4 13 10.3476 4.5312 130.5468 +6.94e+06 W30.NE1,HE1; V32.HA 3 13 10.3483 0.7273 130.5287 +2.72e+07 W30.NE1,HE1; V32.HG2# 64 13 9.0717 2.2367 130.5033 +6.69e+06 E11.N,HN; E11.HB1|HB2 845 13 10.3460 4.8939 130.4957 +5.31e+06 W30.NE1,HE1; E9.HA 65 14 9.0679 2.4993 130.3681 +6.38e+06 E11.N,HN; E11.HG1 579 16 8.7639 5.5240 129.9868 +7.28e+06 L79.N,HN; L79.HA 578 16 8.7522 5.3372 129.9504 +1.34e+07 L79.N,HN; A50.HA 917 16 8.7572 1.5823 129.9411 +2.13e+07 L79.N,HN; L79.HB1|HB2 572 16 8.7563 0.6704 129.9376 +1.19e+07 L79.N,HN; I78.HD1# 571 16 8.7542 0.8309 129.9349 +1.94e+07 L79.N,HN; L79.HD1#|HD2# 573 16 8.7600 1.1833 129.9327 +2.04e+07 L79.N,HN; I78.HG2# 576 16 8.7584 1.9815 129.9285 +4.91e+06 L79.N,HN; L49.HB1 577 16 8.7534 5.0413 129.9219 +2.06e+07 L79.N,HN; I78.HA 173 20 9.9658 5.0148 129.1533 +7.61e+06 V28.N,HN; Q27.HA 170 20 9.9611 0.9305 129.1481 +1.17e+07 V28.N,HN; V28.HG2# 862 20 9.9474 1.9825 129.1156 +6.16e+06 V28.N,HN; V28.HB 174 21 8.7348 0.9567 128.8782 +3.64e+07 I29.N,HN; V5.HG2# 177 21 8.7354 5.0680 128.8442 +2.11e+07 I29.N,HN; V28.HA 176 21 8.7352 5.4088 128.8133 +8.30e+06 I29.N,HN; V5.HA 214 22 8.4598 1.8780 128.7410 +1.07e+07 V36.N,HN; E35.HB2 213 22 8.4617 2.0410 128.7322 +4.69e+07 V36.N,HN; V36.HB 212 22 8.4617 0.9842 128.7206 +4.14e+07 V36.N,HN; V36.HG2# 211 22 8.4614 0.8480 128.7156 +2.84e+07 V36.N,HN; V36.HG1# 219 22 8.4622 4.3017 128.7150 +4.05e+07 V36.N,HN; E35.HA 216 22 8.4604 3.4831 128.7052 +1.51e+07 V36.N,HN; V36.HA 215 22 8.4631 2.2537 128.6920 +1.61e+07 V36.N,HN; E35.HG1 44 24 9.0433 1.9248 128.2433 +8.62e+06 V7.N,HN; V7.HB 40 24 9.0406 1.4758 128.2291 +8.28e+06 V7.N,HN; A50.HB# 38 24 9.0443 0.7050 128.1917 +3.77e+07 V7.N,HN; L6.HD2# 45 25 9.0394 5.1508 128.1783 +1.88e+07 V7.N,HN; L6.HA 43 25 9.0338 1.7697 128.1445 +5.23e+06 V7.N,HN; L48.HB1 39 25 9.0353 0.2457 128.1427 +6.04e+06 V7.N,HN; L6.HD1# 46 25 9.0371 4.8927 128.1240 +5.85e+06 V7.N,HN; L49.HA 42 25 9.0563 0.9903 128.1090 +5.69e+06 V7.N,HN; V5.HG1# 314 25 9.3604 1.5810 128.0843 +1.66e+07 L48.N,HN; L48.HG 313 25 9.3663 1.3923 128.0676 +9.77e+06 L48.N,HN; L48.HB2 310 25 9.3607 0.8180 128.0586 +4.23e+07 L48.N,HN; V47.HG2# 311 25 9.3598 0.7165 128.0519 +3.59e+07 L48.N,HN; L48.HD1# 315 25 9.3597 1.7747 128.0508 +1.49e+07 L48.N,HN; L48.HB1 316 25 9.3624 5.0414 128.0449 +3.19e+07 L48.N,HN; V47.HA 312 25 9.3565 0.9783 128.0429 +1.27e+07 L48.N,HN; V5.HG1# 395 26 8.1721 2.5870 127.8988 +7.55e+06 V58.N,HN; D57.HB2 396 26 8.1738 2.7780 127.8949 +8.46e+06 V58.N,HN; D57.HB1 397 26 8.1753 3.3151 127.8568 +2.09e+07 V58.N,HN; V58.HA 391 26 8.1771 -0.0884 127.8561 +2.69e+07 V58.N,HN; V58.HG1# 393 26 8.1765 1.1895 127.8513 +4.52e+07 V58.N,HN; V58.HB 392 26 8.1764 0.2390 127.8465 +4.89e+07 V58.N,HN; V58.HG2# 398 26 8.1764 4.6056 127.8373 +6.88e+07 V58.N,HN; D57.HA 703 28 8.7286 1.6537 127.4073 +9.68e+06 H97.N,HN; I96.HB 704 28 8.7348 3.2872 127.3876 +1.13e+07 H97.N,HN; H97.HB1 705 28 8.7356 3.1200 127.3826 +1.31e+07 H97.N,HN; H97.HB2 699 29 8.7338 0.4121 127.3691 +1.65e+07 H97.N,HN; I96.HG2# 706 29 8.7366 4.0497 127.3671 +3.22e+07 H97.N,HN; I96.HA 701 29 8.7339 1.0432 127.3597 +1.17e+07 H97.N,HN; I92.HG2# 698 29 8.7335 0.2211 127.2367 +9.37e+06 H97.N,HN; I96.HD1# 542 31 7.7742 4.9344 126.9079 +7.56e+06 K75.N,HN; K75.HA 913 31 7.7759 1.2823 126.8872 +7.64e+06 K75.N,HN; K75.HB2 545 31 7.7622 5.3793 126.8829 +8.06e+06 K75.N,HN; A46.HA 543 31 7.7597 4.4707 126.8740 +2.44e+07 K75.N,HN; L74.HA 538 31 7.7557 0.6629 126.8705 +2.56e+07 K75.N,HN; L74.HD1# 865 31 9.8545 1.7244 126.8679 +7.02e+06 L31.N,HN; L31.HB2 184 31 9.8595 4.7609 126.8671 +5.50e+06 L31.N,HN; L31.HA 541 31 7.7549 3.0969 126.8663 +5.15e+06 K75.N,HN; K75.HE1 182 31 9.8615 0.9792 126.8630 +7.97e+06 L31.N,HN; V5.HG1# 912 31 7.7621 1.5393 126.8594 +1.68e+07 K75.N,HN; K75.HG1|HG2 539 31 7.7583 1.0134 126.8561 +1.35e+07 K75.N,HN; A46.HB# 540 31 7.7600 1.7588 126.8553 +6.94e+06 K75.N,HN; K75.HD1 183 31 9.8554 0.8257 126.8524 +1.24e+07 L31.N,HN; L31.HD1# 185 32 9.8548 5.9065 126.7515 +8.49e+06 L31.N,HN; W30.HA 553 32 9.1384 2.6826 126.6874 +7.90e+06 F77.N,HN; F77.HB2 677 32 9.4243 4.6023 126.6677 +6.81e+06 I92.N,HN; I92.HA 551 32 9.1156 1.5277 126.6514 +8.38e+06 F77.N,HN; L49.HG 674 32 9.4092 2.8959 126.6453 +8.53e+06 I92.N,HN; Y91.HB2 549 32 9.1340 0.6901 126.6440 +4.11e+07 F77.N,HN; I76.HG2# 665 32 9.4073 1.0499 126.6434 +1.46e+07 I92.N,HN; I92.HG2# 675 32 9.4106 5.5366 126.6417 +9.94e+06 I92.N,HN; L79.HA 554 32 9.1360 4.6129 126.6288 +2.43e+07 F77.N,HN; I76.HA 550 32 9.1344 0.8181 126.6219 +2.28e+07 F77.N,HN; V47.HG2# 667 32 9.4108 1.3693 126.6168 +1.11e+07 I92.N,HN; I92.HG11 552 32 9.1232 1.7364 126.6152 +6.13e+06 F77.N,HN; I78.HB 663 32 9.4088 0.4435 126.6137 +1.20e+07 I92.N,HN; I92.HD1# 555 32 9.1314 5.0901 126.6107 +7.62e+06 F77.N,HN; L48.HA 557 32 9.1256 5.6679 126.6040 +5.94e+06 F77.N,HN; F77.HA 669 32 9.4146 1.8617 126.5865 +1.34e+07 I92.N,HN; I92.HB 668 32 9.4075 1.5849 126.5783 +5.38e+06 I92.N,HN; L79.HB1|HB2 676 32 9.4118 5.3116 126.5778 +2.39e+07 I92.N,HN; Y91.HA 664 32 9.4093 0.8343 126.5673 +1.40e+07 I92.N,HN; L79.HD1#|HD2# 333 37 8.3241 4.8857 125.6959 +2.32e+07 A50.N,HN; L49.HA 328 37 8.3223 1.4671 125.6947 +3.60e+07 A50.N,HN; A50.HB# 331 37 8.3272 5.3207 125.6927 +7.99e+06 A50.N,HN; A50.HA 326 37 8.3237 0.7064 125.6859 +2.69e+07 A50.N,HN; L49.HD1# 329 37 8.3311 1.9217 125.6689 +9.11e+06 A50.N,HN; V7.HB 327 37 8.3188 0.8297 125.6479 +1.50e+07 A50.N,HN; L79.HD1#|HD2# 332 37 8.3178 5.0750 125.6346 +6.81e+06 A50.N,HN; V7.HA 20 37 9.1699 1.5166 125.5715 +1.01e+07 I4.N,HN; I4.HB 17 38 9.1643 0.5770 125.5231 +8.54e+06 I4.N,HN; I4.HG2# 24 38 9.1737 5.3254 125.5204 +2.08e+07 I4.N,HN; R3.HA 22 38 9.1952 4.6713 125.5174 +6.73e+06 I4.N,HN; I4.HA 18 38 9.1680 0.9073 125.5142 +1.39e+07 I4.N,HN; I4.HG11 19 38 9.1532 1.2865 125.4948 +6.68e+06 I4.N,HN; I4.HG12 23 38 9.1645 5.0802 125.4936 +6.83e+06 I4.N,HN; V28.HA 643 39 8.8742 2.6885 125.2540 +7.55e+06 D89.N,HN; D89.HB1 642 39 8.8727 0.7098 125.2405 +1.81e+07 D89.N,HN; V88.HG2# 641 39 8.8783 0.4444 125.2403 +1.70e+07 D89.N,HN; V88.HG1# 645 39 8.8782 3.7919 125.2318 +1.86e+07 D89.N,HN; V88.HA 646 39 8.8808 4.6514 125.2164 +1.50e+07 D89.N,HN; D89.HA 644 39 8.8808 2.3707 125.2124 +6.51e+06 D89.N,HN; D89.HB2 25 40 8.1175 0.1039 125.0903 +5.90e+06 V5.N,HN; I4.HD1# 31 40 8.1161 5.0698 125.0882 +8.98e+06 V5.N,HN; V28.HA 32 40 8.1143 4.6568 125.0756 +2.35e+07 V5.N,HN; I4.HA 28 40 8.1146 0.9815 125.0747 +3.69e+07 V5.N,HN; V5.HG2# 26 40 8.1184 0.5821 125.0658 +2.86e+07 V5.N,HN; I4.HG2# 29 40 8.1152 1.8374 125.0619 +1.83e+07 V5.N,HN; V5.HB 27 40 8.1142 0.8409 125.0496 +2.40e+07 V5.N,HN; V47.HG2# 833 42 8.2551 1.4324 124.6281 +6.58e+07 A113.N,HN; A113.HB# 835 42 8.2545 4.4099 124.6227 +9.79e+07 A113.N,HN; A113.HA 834 42 8.2556 1.6488 124.6178 +2.56e+07 A113.N,HN; L112.HB1|HB2 831 42 8.2516 0.8962 124.6070 +1.11e+07 A113.N,HN; L112.HD1# 625 43 9.1972 2.8994 124.5155 +1.05e+07 Q86.N,HN; Y85.HB1 626 43 9.1972 4.4872 124.4991 +1.32e+07 Q86.N,HN; Q86.HA 923 43 9.1992 2.0657 124.4821 +4.16e+07 Q86.N,HN; Q86.HB1 622 43 9.1987 2.3989 124.4763 +5.40e+07 Q86.N,HN; Q86.HG1|HG2 627 43 9.1987 4.6279 124.4752 +4.97e+07 Q86.N,HN; Y85.HA 620 43 9.1942 0.8979 124.4440 +6.43e+06 Q86.N,HN; V62.HG1# 325 43 8.8139 4.6335 124.4383 +6.37e+06 L49.N,HN; I76.HA 624 43 9.1959 2.6762 124.4365 +9.04e+06 Q86.N,HN; Y85.HB2 879 43 8.8165 1.5689 124.4356 +2.09e+07 L49.N,HN; L49.HB2 321 43 8.8157 1.3902 124.4323 +1.29e+07 L49.N,HN; L48.HB2 324 43 8.8117 5.0838 124.4199 +2.59e+07 L49.N,HN; L48.HA 619 43 9.1952 0.7151 124.4195 +9.56e+06 Q86.N,HN; V88.HG2# 318 43 8.8157 0.6919 124.4166 +3.62e+07 L49.N,HN; L49.HD1# 317 43 8.8146 0.8129 124.4050 +1.91e+07 L49.N,HN; V47.HG2# 323 43 8.8028 4.9003 124.3835 +8.68e+06 L49.N,HN; L49.HA 843 44 7.7655 4.3942 124.3252 +9.17e+06 Q117.N,HN; A116.HA 844 44 7.7814 4.1749 124.2764 +3.32e+07 Q117.N,HN; Q117.HA 57 44 9.2566 4.6208 124.2355 +8.29e+06 E9.N,HN; F53.HA 54 44 9.2626 2.0892 124.1992 +1.61e+07 E9.N,HN; E9.HB2 53 44 9.2769 1.4726 124.1875 +7.74e+06 E9.N,HN; A50.HB# 56 44 9.2613 4.7800 124.1693 +2.72e+07 E9.N,HN; S8.HA 55 44 9.2638 4.8906 124.1570 +1.50e+07 E9.N,HN; E9.HA 728 45 8.4806 4.6190 123.9595 +6.01e+06 F101.N,HN; S100.HA 727 45 8.4993 4.2600 123.9564 +1.62e+07 F101.N,HN; F101.HA 724 45 8.4960 2.9094 123.9396 +1.36e+07 F101.N,HN; F101.HB2 723 45 8.4939 0.4245 123.9374 +9.00e+06 F101.N,HN; I96.HG2# 725 46 8.4984 3.4096 123.9108 +1.54e+07 F101.N,HN; F101.HB1 726 46 8.4995 3.9436 123.8956 +1.11e+07 F101.N,HN; S100.HB2 827 46 8.0643 1.2771 123.8820 +6.22e+06 L112.N,HN; T110.HG2# 95 46 6.8946 1.3504 123.8760 +1.27e+07 L16.N,HN; L16.HG 943 46 8.0636 1.6557 123.8576 +8.37e+07 L112.N,HN; L112.HB1|HB2 829 46 8.0593 3.9358 123.8562 +1.42e+07 L112.N,HN; S111.HB2 830 46 8.0634 4.4877 123.8519 +5.14e+07 L112.N,HN; S111.HA 92 46 6.8982 0.7581 123.8412 +2.24e+07 L16.N,HN; L16.HD2# 69 46 8.5324 4.1160 123.8400 +1.78e+07 A12.N,HN; A12.HA 93 46 6.8946 0.8598 123.8352 +2.23e+07 L16.N,HN; L16.HD1# 826 46 8.0686 0.9083 123.8351 +1.10e+07 L112.N,HN; L112.HD1# 67 46 8.5349 2.2326 123.8318 +1.44e+07 A12.N,HN; E11.HB1|HB2 66 46 8.5363 1.4958 123.8304 +4.65e+07 A12.N,HN; A12.HB# 97 46 6.8965 1.7696 123.8275 +2.32e+07 L16.N,HN; L16.HB2 96 46 6.8959 1.5616 123.8134 +2.76e+07 L16.N,HN; L16.HB1 94 46 6.9029 1.2352 123.8085 +1.56e+07 L16.N,HN; T15.HG2# 99 46 6.8999 4.1097 123.8079 +3.48e+07 L16.N,HN; L16.HA 98 46 6.9021 3.7144 123.7928 +8.41e+06 L16.N,HN; T13.HA 828 46 8.0822 3.0738 123.7812 +6.71e+06 L112.N,HN; K75.HE1 343 46 8.5856 2.0566 123.7695 +1.01e+07 F53.N,HN; P52.HB2 348 46 8.5779 4.3329 123.7673 +1.45e+07 F53.N,HN; P52.HA 346 46 8.5711 3.1563 123.7567 +5.40e+06 F53.N,HN; F53.HB1 349 46 8.5781 4.6398 123.7476 +8.27e+06 F53.N,HN; F53.HA 345 47 8.5840 2.9623 123.6918 +7.08e+06 F53.N,HN; F53.HB2 914 50 10.0901 1.5762 122.9802 +1.28e+07 I76.N,HN; K75.HB1 915 50 10.0985 2.7140 122.9779 +5.73e+06 I76.N,HN; D89.HB1 546 50 10.0875 0.6844 122.9504 +1.54e+07 I76.N,HN; I76.HG2# 548 51 10.0874 4.9101 122.8988 +1.55e+07 I76.N,HN; K75.HA 260 53 7.7135 0.7780 122.4768 +3.25e+07 A41.N,HN; L40.HD1# 266 53 7.7125 3.9187 122.4692 +2.66e+07 A41.N,HN; L40.HA 262 53 7.7132 1.4769 122.4608 +1.20e+08 A41.N,HN; A41.HB# 263 53 7.7140 1.7585 122.4530 +2.16e+07 A41.N,HN; L40.HB1 267 53 7.7130 4.1476 122.4481 +4.30e+07 A41.N,HN; A41.HA 264 53 7.7173 2.2846 122.4363 +6.51e+06 A41.N,HN; E37.HG2 117 53 8.3978 0.8637 122.3885 +8.14e+06 I20.N,HN; L16.HD1# 122 53 8.4061 4.0789 122.3701 +1.66e+07 I20.N,HN; S19.HB1|HB2 120 53 8.4101 1.7757 122.3685 +1.88e+07 I20.N,HN; I20.HB 877 53 7.7119 3.4822 122.3661 +6.83e+06 A41.N,HN; V36.HA 121 53 8.4057 3.7200 122.3268 +1.03e+07 I20.N,HN; I20.HA 116 53 8.4114 0.7024 122.3230 +1.77e+07 I20.N,HN; I20.HD1# 567 54 8.1549 3.0244 122.2505 +7.59e+06 I78.N,HN; F77.HB1 660 54 8.5706 4.5479 122.2413 +4.77e+07 Y91.N,HN; R90.HA 656 54 8.5675 1.4206 122.2352 +4.13e+07 Y91.N,HN; R90.HB1 659 54 8.5668 3.0463 122.2274 +5.45e+06 Y91.N,HN; R90.HD1 661 54 8.5663 5.3217 122.2209 +1.02e+07 Y91.N,HN; Y91.HA 658 54 8.5665 2.8630 122.2193 +1.98e+07 Y91.N,HN; R90.HD2 566 54 8.1537 2.7047 122.2152 +7.35e+06 I78.N,HN; F77.HB2 657 54 8.5669 1.1656 122.2148 +5.18e+06 Y91.N,HN; I78.HG2# 655 54 8.5652 0.4374 122.2126 +7.67e+06 Y91.N,HN; V88.HG1# 568 54 8.1511 5.0441 122.2083 +8.30e+06 I78.N,HN; I78.HA 963 54 7.2669 2.5897 122.2010 +6.57e+06 E35.N,HN; D33.HB1|HB2 564 54 8.1504 0.6766 122.2003 +1.69e+07 I78.N,HN; I76.HG2# 560 54 8.1496 1.7436 122.1978 +1.64e+07 I78.N,HN; I78.HB 569 54 8.1516 5.3069 122.1955 +1.12e+07 I78.N,HN; Y91.HA 570 54 8.1448 5.6894 122.1947 +2.59e+07 I78.N,HN; F77.HA 916 54 8.1446 1.2989 122.1923 +1.37e+07 I78.N,HN; I78.HG12 561 54 8.1532 1.1965 122.1913 +1.81e+07 I78.N,HN; I78.HG2# 558 54 8.1500 0.4438 122.1908 +1.95e+07 I78.N,HN; V88.HG1# 210 54 7.2716 4.7491 122.1836 +7.86e+06 E35.N,HN; D33.HA 205 54 7.2607 2.2489 122.1681 +1.96e+07 E35.N,HN; E35.HG1 209 54 7.2612 4.3046 122.1675 +2.70e+07 E35.N,HN; E35.HA 204 54 7.2614 1.8742 122.1635 +4.26e+07 E35.N,HN; E35.HB2 868 54 7.2617 2.0743 122.1564 +4.66e+07 E35.N,HN; E35.HB1 202 54 7.2634 0.7954 122.1562 +2.64e+07 E35.N,HN; L39.HD1# 208 54 7.2616 3.9588 122.1512 +1.95e+07 E35.N,HN; G34.HA1 207 54 7.2618 3.3894 122.1487 +1.44e+07 E35.N,HN; G34.HA2 203 54 7.2599 0.9732 122.1243 +8.34e+06 E35.N,HN; V36.HG2# 337 54 7.9922 1.5869 122.1119 +3.46e+07 E51.N,HN; L79.HB1|HB2 336 55 7.9944 1.4767 122.0763 +3.72e+07 E51.N,HN; A50.HB# 342 55 7.9943 5.3346 122.0685 +3.43e+07 E51.N,HN; A50.HA 883 55 7.9943 0.8595 122.0511 +1.97e+07 E51.N,HN; L79.HD1#|HD2# 341 55 7.9968 4.3599 122.0416 +6.46e+06 E51.N,HN; P52.HA 599 56 8.1100 1.1668 121.8052 +2.20e+07 K82.N,HN; K82.HG1|HG2 601 56 8.1159 3.9214 121.7490 +2.78e+07 K82.N,HN; S81.HB1|HB2 920 56 8.1112 1.5723 121.7470 +3.39e+07 K82.N,HN; K82.HB2 600 56 8.1075 3.5903 121.7459 +1.21e+07 K82.N,HN; K82.HA 602 56 8.1117 4.4174 121.7442 +4.61e+07 K82.N,HN; S81.HA 11 60 8.4667 1.6384 120.9486 +1.62e+07 R3.N,HN; R3.HB2 944 60 8.4650 1.3667 120.9221 +1.47e+07 R3.N,HN; I45.HG11|HG12 13 60 8.4657 2.0556 120.9140 +1.74e+07 R3.N,HN; R3.HB1 15 60 8.4651 4.5491 120.9105 +3.32e+07 R3.N,HN; G2.HA1 12 60 8.4690 1.7868 120.9085 +1.06e+07 R3.N,HN; R3.HG2 7 60 8.4668 1.0283 120.9055 +1.75e+07 R3.N,HN; I45.HD1# 14 60 8.4650 3.9903 120.8980 +3.43e+07 R3.N,HN; G2.HA2 62 60 8.4384 4.8975 120.8933 +1.18e+07 D10.N,HN; E9.HA 8 60 8.4671 1.1778 120.8863 +2.45e+07 R3.N,HN; I45.HG2# 60 61 8.4410 2.8509 120.8446 +1.16e+07 D10.N,HN; D10.HB1 9 61 8.4545 0.9000 120.8316 +7.46e+06 R3.N,HN; I4.HG11 16 61 8.4738 5.3197 120.8244 +1.08e+07 R3.N,HN; R3.HA 61 61 8.4358 4.7571 120.7998 +2.00e+07 D10.N,HN; D10.HA 59 61 8.4368 2.6533 120.7980 +1.48e+07 D10.N,HN; D10.HB2 58 61 8.4405 2.3641 120.7904 +1.06e+07 D10.N,HN; E9.HB1 783 61 8.2583 2.7281 120.7819 +3.15e+07 M107.N,HN; M107.HG1 786 61 8.2611 3.8846 120.7811 +1.31e+07 M107.N,HN; Q104.HA 63 61 8.4366 3.7174 120.7806 +6.30e+06 D10.N,HN; T13.HB 784 61 8.2591 4.2158 120.7727 +5.60e+07 M107.N,HN; M107.HA 938 61 8.2588 2.0960 120.7691 +3.97e+07 M107.N,HN; M107.HB1 782 61 8.2621 2.5804 120.7675 +2.28e+07 M107.N,HN; M107.HG2 779 61 8.2591 1.2464 120.7653 +2.35e+07 M107.N,HN; T106.HG2# 785 61 8.2560 3.9701 120.7519 +1.39e+07 M107.N,HN; Q103.HA 145 61 7.2121 4.0305 120.7292 +1.65e+07 A24.N,HN; T23.HA 141 61 7.2029 1.0989 120.7204 +7.09e+06 A24.N,HN; I20.HG2# 139 61 7.2210 0.5795 120.7149 +6.20e+06 A24.N,HN; L21.HD1# 142 61 7.2114 1.3069 120.7039 +2.55e+07 A24.N,HN; T23.HG2# 144 61 7.2104 4.3934 120.7003 +4.92e+07 A24.N,HN; A24.HA 143 61 7.2109 1.6929 120.6954 +1.02e+08 A24.N,HN; A24.HB# 410 62 7.4880 3.3206 120.6300 +1.38e+07 L61.N,HN; V58.HA 411 62 7.4814 4.0517 120.6233 +3.16e+07 L61.N,HN; L61.HA 408 62 7.4754 2.2775 120.6214 +1.39e+07 L61.N,HN; E60.HG2 895 62 7.4823 1.6853 120.6213 +4.44e+07 L61.N,HN; L61.HB1 409 62 7.4847 2.3950 120.6098 +1.19e+07 L61.N,HN; E60.HG1 407 62 7.4827 2.0827 120.6096 +4.00e+07 L61.N,HN; E60.HB1|HB2 406 62 7.4821 0.8103 120.6053 +3.05e+07 L61.N,HN; L61.HD1# 140 62 7.2146 0.8817 120.6038 +1.44e+07 A24.N,HN; L102.HD2# 166 63 8.4188 2.9114 120.3847 +6.32e+06 Q27.N,HN; Y26.HB1 168 63 8.4233 5.3226 120.3317 +6.90e+06 Q27.N,HN; R3.HA 164 63 8.4233 2.0058 120.3189 +7.41e+06 Q27.N,HN; Q27.HB1 861 63 8.4392 1.3004 120.3144 +5.35e+06 Q27.N,HN; I4.HG12 169 63 8.4243 4.6343 120.2723 +2.65e+07 Q27.N,HN; Y26.HA 167 64 8.4136 4.9979 120.1840 +7.48e+06 Q27.N,HN; Q27.HA 448 65 8.2532 3.2221 119.9369 +8.90e+06 L65.N,HN; V62.HA 447 65 8.2521 2.7125 119.9019 +8.32e+06 L65.N,HN; Q64.HG1 896 65 8.2501 0.9740 119.8975 +1.25e+07 L65.N,HN; V36.HG2# 444 65 8.2457 1.7142 119.8968 +6.29e+06 L65.N,HN; R68.HG1|HG2 446 65 8.2449 2.3212 119.8918 +8.73e+06 L65.N,HN; Q64.HB1 449 66 8.2453 3.9678 119.8484 +2.34e+07 L65.N,HN; L65.HA 441 66 8.2460 0.7521 119.8301 +4.57e+07 L65.N,HN; L65.HD1# 383 67 8.0851 4.2409 119.5831 +2.55e+07 D57.N,HN; G56.HA1 380 67 8.0841 2.5920 119.5773 +2.97e+07 D57.N,HN; D57.HB2 382 67 8.0838 4.6112 119.5708 +2.73e+07 D57.N,HN; D57.HA 381 67 8.0845 2.7603 119.5675 +3.08e+07 D57.N,HN; D57.HB1 386 67 8.0872 3.7872 119.5666 +4.14e+07 Q59.N,HN; Q59.HA 891 67 8.0873 2.1033 119.5621 +2.28e+07 D57.N,HN; E60.HB1|HB2 374 67 8.0894 0.2406 119.5564 +1.29e+07 Q59.N,HN; V58.HG2# 894 67 8.0851 2.2606 119.5489 +2.62e+07 D57.N,HN; E60.HG2 387 67 8.0850 1.1939 119.5385 +1.89e+07 Q59.N,HN; V58.HB 893 67 8.0871 2.3921 119.5348 +2.47e+07 D57.N,HN; E60.HG1 390 67 8.0867 3.3251 119.5311 +5.69e+06 D57.N,HN; V58.HA 373 67 8.0876 -0.0869 119.5107 +2.52e+07 Q59.N,HN; V58.HG1# 430 67 8.7553 3.8111 119.4745 +8.87e+06 D63.N,HN; Q59.HA 429 68 8.7592 4.1012 119.4429 +1.70e+07 D63.N,HN; E60.HA 426 68 8.7607 2.5900 119.4258 +2.52e+07 D63.N,HN; D63.HB2 427 68 8.7588 2.9122 119.4212 +2.69e+07 D63.N,HN; D63.HB1 423 68 8.7588 0.7101 119.4198 +2.42e+07 D63.N,HN; V62.HG2# 425 68 8.7594 2.0572 119.4196 +2.43e+07 D63.N,HN; V62.HB 424 68 8.7636 0.9001 119.4176 +2.26e+07 D63.N,HN; V62.HG1# 299 68 7.2997 2.1815 119.3993 +1.13e+07 A46.N,HN; P44.HB1 301 68 7.3051 4.6601 119.3949 +1.66e+07 A46.N,HN; I4.HA 428 68 8.7639 4.2698 119.3948 +2.28e+07 D63.N,HN; D63.HA 297 68 7.3003 1.3642 119.3705 +1.72e+07 A46.N,HN; I45.HG11|HG12 295 68 7.3024 0.6672 119.3704 +1.45e+07 A46.N,HN; L74.HD1# 745 68 7.9298 4.6167 119.3681 +1.27e+07 Q103.N,HN; S100.HA 747 68 7.9307 3.6496 119.3599 +7.37e+06 Q103.N,HN; L102.HA 298 68 7.2979 1.7235 119.3587 +1.04e+07 A46.N,HN; P44.HB2 294 68 7.3003 1.0222 119.3510 +3.75e+07 A46.N,HN; A46.HB# 744 68 7.9267 3.9940 119.3505 +3.10e+07 Q103.N,HN; Q103.HA 537 68 7.7763 4.0260 119.3467 +6.75e+06 L74.N,HN; E72.HA 934 68 7.9272 2.1762 119.3466 +9.06e+07 Q103.N,HN; Q103.HB1|HB2 307 68 8.5885 1.7393 119.3462 +1.98e+07 V47.N,HN; V47.HB 742 68 7.9313 1.8336 119.3424 +2.00e+07 Q103.N,HN; L102.HB1 910 68 7.7874 1.3671 119.3417 +1.87e+07 L74.N,HN; L74.HB2 535 68 7.7861 4.4756 119.3385 +3.11e+07 L74.N,HN; L74.HA 305 68 8.5878 1.0198 119.3323 +3.68e+07 V47.N,HN; A46.HB# 296 68 7.2994 1.1811 119.3286 +1.56e+07 A46.N,HN; I45.HG2# 309 68 8.5884 5.3761 119.3281 +2.72e+07 V47.N,HN; A46.HA 530 68 7.7850 0.6564 119.3259 +2.68e+07 L74.N,HN; L74.HD1# 303 68 8.5890 0.6795 119.3238 +3.24e+07 V47.N,HN; I76.HG2# 532 68 7.7826 1.5430 119.3222 +6.18e+06 L74.N,HN; K75.HG1|HG2 911 68 7.7855 2.0763 119.3216 +1.78e+07 L74.N,HN; Q73.HB2 300 68 7.2983 5.4025 119.3190 +8.57e+06 A46.N,HN; A46.HA 304 68 8.5882 0.8242 119.3148 +3.59e+07 V47.N,HN; V47.HG2# 746 68 7.9263 4.2435 119.3102 +8.08e+06 Q103.N,HN; T106.HB 808 68 7.8605 3.7690 119.3034 +1.13e+07 L109.N,HN; T106.HA 806 68 7.8585 4.3724 119.2989 +2.50e+07 L109.N,HN; L109.HA 536 68 7.7875 4.2471 119.2941 +1.88e+07 L74.N,HN; Q73.HA 804 68 7.8587 1.2932 119.2935 +1.21e+07 L109.N,HN; T110.HG2# 533 68 7.7859 2.3566 119.2919 +1.59e+07 L74.N,HN; E72.HG2 939 68 7.8559 1.9489 119.2841 +4.11e+07 L109.N,HN; L109.HG 807 68 7.8596 4.0045 119.2786 +1.07e+07 L109.N,HN; G108.HA1 812 68 7.8589 1.6578 119.2593 +1.85e+07 L109.N,HN; L109.HB2 803 69 7.8567 0.7441 119.2475 +3.74e+07 L109.N,HN; L109.HD1# 851 69 7.9174 2.3938 119.2079 +5.76e+07 Q103.N,HN; Q103.HG1 308 69 8.5943 5.0403 119.1985 +1.05e+07 V47.N,HN; V47.HA 809 69 7.8549 3.5579 119.1939 +7.19e+06 L109.N,HN; G108.HA2 220 69 8.9518 0.8581 119.1678 +4.01e+07 E37.N,HN; V36.HG1# 225 69 8.9497 3.4741 119.1636 +8.90e+06 E37.N,HN; V36.HA 221 69 8.9520 0.9695 119.1622 +1.69e+07 E37.N,HN; V36.HG2# 870 69 8.9533 2.0162 119.1599 +7.43e+07 E37.N,HN; E37.HB1 869 69 8.9511 2.2548 119.1572 +5.63e+07 E37.N,HN; E37.HG1 850 69 7.9083 1.5824 119.1568 +1.62e+07 I17.N,HN; I17.HB 226 69 8.9474 4.3030 119.1550 +9.49e+06 E37.N,HN; E35.HA 405 69 7.9139 3.8184 119.1533 +8.75e+06 E60.N,HN; Q59.HA 223 69 8.9530 3.9292 119.1438 +3.00e+07 E37.N,HN; E37.HA 400 69 7.9147 2.0977 119.1438 +8.89e+07 E60.N,HN; E60.HB1|HB2 102 69 7.8999 3.0929 119.1213 +7.11e+06 I17.N,HN; I17.HA 402 69 7.9116 2.7695 119.1063 +7.69e+06 E60.N,HN; D57.HB1 100 69 7.8976 0.3967 119.1027 +1.37e+07 I17.N,HN; I17.HD1# 403 69 7.9141 3.3369 119.0980 +6.05e+06 E60.N,HN; V58.HA 404 69 7.9132 4.0984 119.0904 +3.88e+07 E60.N,HN; E60.HA 849 69 7.9030 0.2196 119.0703 +8.61e+06 I17.N,HN; I96.HD1# 413 70 8.3024 -0.0904 119.0217 +6.32e+06 V62.N,HN; V58.HG1# 417 70 8.3129 2.0600 119.0209 +2.31e+07 V62.N,HN; V62.HB 416 70 8.3136 1.6748 119.0070 +1.92e+07 V62.N,HN; L61.HB2 414 70 8.3157 0.7018 118.9992 +5.69e+07 V62.N,HN; V62.HG2# 415 70 8.3158 0.9053 118.9958 +2.19e+07 V62.N,HN; V62.HG1# 229 70 7.4680 1.6747 118.9832 +1.68e+07 R38.N,HN; R38.HB2 234 70 7.4668 3.8922 118.9792 +2.13e+07 R38.N,HN; R38.HA 232 70 7.4632 1.9996 118.9755 +2.60e+07 R38.N,HN; E37.HB1 420 70 8.3145 3.8211 118.9708 +8.22e+06 V62.N,HN; Q59.HA 419 70 8.3104 3.2350 118.9597 +1.17e+07 V62.N,HN; V62.HA 233 70 7.4651 2.2520 118.9568 +2.18e+07 R38.N,HN; E35.HG1 422 70 8.3164 4.0617 118.9567 +1.16e+07 V62.N,HN; L61.HA 228 70 7.4647 0.8249 118.9533 +1.47e+07 R38.N,HN; L31.HD2# 230 70 7.4659 1.8434 118.9512 +2.80e+07 R38.N,HN; R38.HB1 231 70 7.4711 1.4759 118.9416 +1.38e+07 R38.N,HN; L39.HB2 159 71 7.7857 4.6585 118.8033 +1.75e+07 Y26.N,HN; Y26.HA 158 71 7.7892 2.4040 118.8030 +1.07e+07 Y26.N,HN; Y26.HB2 162 71 7.7845 3.5595 118.7871 +5.25e+06 Y26.N,HN; G25.HA2 161 71 7.7899 4.1622 118.7319 +1.03e+07 Y26.N,HN; G25.HA1 157 71 7.7879 1.6816 118.7224 +1.22e+07 Y26.N,HN; A24.HB# 765 72 7.7610 3.6253 118.6202 +9.50e+06 V105.N,HN; L102.HA 758 72 7.7544 -0.0010 118.6154 +4.96e+07 V105.N,HN; V105.HG1# 764 72 7.7584 3.2291 118.6059 +1.49e+07 V105.N,HN; V105.HA 759 72 7.7578 0.3117 118.5880 +1.84e+07 V105.N,HN; V105.HG2# 761 72 7.7549 1.5567 118.5827 +2.84e+07 V105.N,HN; V105.HB 609 72 7.1839 0.7117 118.5792 +1.50e+07 Y85.N,HN; V88.HG2# 616 72 7.1806 4.4714 118.5752 +6.84e+06 Y85.N,HN; Q86.HA 611 72 7.1810 2.6768 118.5638 +3.02e+07 Y85.N,HN; Y85.HB2 614 72 7.1810 4.8205 118.5589 +5.59e+07 Y85.N,HN; N84.HA 610 72 7.1829 2.4574 118.5546 +1.34e+07 Y85.N,HN; N84.HB2 615 72 7.1841 4.6339 118.5491 +2.65e+07 Y85.N,HN; Y85.HA 613 72 7.1750 3.4102 118.5473 +6.39e+06 Y85.N,HN; G83.HA2 767 72 7.7486 4.2485 118.5367 +6.79e+06 V105.N,HN; T106.HB 612 72 7.1851 2.8963 118.5271 +1.73e+07 Y85.N,HN; Y85.HB1 766 72 7.7478 3.8907 118.4947 +7.79e+06 V105.N,HN; Q104.HA 439 72 8.0806 3.9695 118.4935 +3.53e+07 Q64.N,HN; Q64.HA 762 72 7.7465 2.1737 118.4930 +6.81e+06 V105.N,HN; Q103.HB1|HB2 437 72 8.0776 2.7123 118.4915 +3.84e+07 Q64.N,HN; Q64.HG1 431 72 8.0762 0.9745 118.4906 +1.40e+07 Q64.N,HN; V36.HG2# 432 72 8.0820 0.8025 118.4815 +1.59e+07 Q64.N,HN; L61.HD1# 440 72 8.0816 4.2709 118.4731 +1.26e+07 Q64.N,HN; D63.HA 435 72 8.0844 2.3173 118.4650 +2.39e+07 Q64.N,HN; Q64.HB1 434 72 8.0823 2.0664 118.4634 +2.68e+07 Q64.N,HN; Q64.HB2 436 72 8.0790 2.4515 118.4566 +3.55e+07 Q64.N,HN; Q64.HG2 438 72 8.0830 2.9226 118.4390 +1.69e+07 Q64.N,HN; D63.HB1 433 73 8.0906 1.6364 118.4362 +6.03e+06 Q64.N,HN; L61.HB2 729 74 8.3891 1.0826 118.0723 +1.55e+07 L102.N,HN; I20.HG2# 730 75 8.3895 0.9369 118.0281 +1.61e+07 L102.N,HN; L102.HD1# 733 75 8.3881 1.4941 118.0181 +2.09e+07 L102.N,HN; L102.HB2 735 75 8.3922 1.8200 118.0162 +2.30e+07 L102.N,HN; L102.HB1 739 75 8.3863 3.6279 118.0126 +1.73e+07 L102.N,HN; L102.HA 734 75 8.3836 1.6263 118.0103 +1.37e+07 L102.N,HN; L102.HG 731 75 8.3915 0.8804 118.0027 +1.50e+07 L102.N,HN; L102.HD2# 360 75 7.1294 4.7528 117.9951 +2.72e+07 Y55.N,HN; Y55.HA 359 75 7.1301 4.3561 117.9937 +1.60e+07 Y55.N,HN; S54.HA 356 75 7.1277 3.1923 117.9886 +1.41e+07 Y55.N,HN; Y55.HB1 951 75 8.3876 2.1539 117.9783 +6.56e+06 L102.N,HN; Q103.HB1|HB2 472 75 7.6668 4.5477 117.9486 +1.08e+07 Q67.N,HN; R66.HA 948 75 8.3983 4.1498 117.9406 +9.07e+06 L102.N,HN; E99.HA 358 75 7.1359 4.0233 117.9397 +9.44e+06 Y55.N,HN; S54.HB1 113 75 7.9072 3.1320 117.9371 +9.63e+06 S19.N,HN; C18.HB1 355 75 7.1272 2.9265 117.9350 +1.06e+07 Y55.N,HN; Y55.HB2 361 75 7.1257 4.6437 117.9291 +1.45e+07 Y55.N,HN; F53.HA 357 75 7.1178 3.7199 117.9205 +6.87e+06 Y55.N,HN; S54.HB2 469 75 7.6604 3.9629 117.9066 +2.13e+07 Q67.N,HN; Q64.HA 465 75 7.6596 2.1505 117.9040 +1.04e+08 Q67.N,HN; Q67.HB1|HB2 467 75 7.6612 2.5948 117.9018 +4.93e+07 Q67.N,HN; Q67.HG2 471 75 7.6593 4.1418 117.9015 +5.10e+07 Q67.N,HN; Q67.HA 466 75 7.6582 2.4553 117.8991 +4.06e+07 Q67.N,HN; Q67.HG1 464 75 7.6578 1.7197 117.8850 +1.55e+07 Q67.N,HN; R68.HG1|HG2 468 75 7.6582 3.1552 117.8828 +8.84e+06 Q67.N,HN; R68.HD1|HD2 854 75 7.9067 0.7168 117.8772 +1.18e+07 S19.N,HN; I17.HG2# 853 75 7.9025 0.8798 117.8526 +1.37e+07 S19.N,HN; L16.HD1# 114 75 7.9081 4.0669 117.8413 +6.35e+07 S19.N,HN; S19.HB1|HB2 458 76 8.8209 3.3934 117.7816 +5.76e+06 R66.N,HN; R66.HD1 137 76 7.9014 1.7052 117.7745 +1.09e+07 T23.N,HN; A24.HB# 459 76 8.8200 3.2480 117.7740 +6.11e+06 R66.N,HN; R66.HD2 460 76 8.8187 3.9639 117.7629 +9.52e+06 R66.N,HN; L65.HA 451 76 8.8219 0.7507 117.7580 +2.18e+07 R66.N,HN; L65.HD1# 135 76 7.8956 1.1345 117.7508 +1.84e+07 T23.N,HN; T22.HG2# 462 76 8.8239 4.5465 117.7478 +9.10e+06 R66.N,HN; R66.HA 690 76 8.2227 0.4179 117.7458 +2.53e+07 I96.N,HN; I96.HG2# 138 76 7.8970 4.3579 117.7439 +3.66e+07 T23.N,HN; T23.HB 689 76 8.2228 0.2059 117.7439 +1.68e+07 I96.N,HN; I96.HD1# 452 76 8.8235 1.5539 117.7412 +9.65e+06 R66.N,HN; R66.HG2 694 76 8.2225 1.9318 117.7390 +2.23e+07 I96.N,HN; P95.HB2 453 76 8.8199 2.1395 117.7348 +2.15e+07 R66.N,HN; R66.HB1 696 76 8.2229 4.3901 117.7327 +2.96e+07 I96.N,HN; P95.HA 692 76 8.2226 1.0445 117.7296 +4.63e+07 I96.N,HN; I96.HG11|HG12 693 76 8.2241 1.6505 117.7295 +3.06e+07 I96.N,HN; I96.HB 691 76 8.2243 0.8360 117.7255 +3.70e+07 I96.N,HN; L94.HD2# 695 76 8.2192 2.3590 117.7231 +1.28e+07 I96.N,HN; P95.HB1 454 76 8.8209 2.4620 117.7230 +5.76e+06 R66.N,HN; Q67.HG1 461 76 8.8255 4.2879 117.7158 +8.49e+06 R66.N,HN; D63.HA 697 76 8.2260 4.0548 117.7140 +1.45e+07 I96.N,HN; I96.HA 749 76 7.9641 0.4491 117.7088 +8.13e+06 Q104.N,HN; I92.HD1# 757 76 7.9519 4.6201 117.7014 +6.30e+06 Q104.N,HN; S100.HA 134 76 7.8965 1.3059 117.6968 +2.47e+07 T23.N,HN; T23.HG2# 750 76 7.9584 1.8793 117.6804 +1.54e+07 Q104.N,HN; Q104.HB2 754 76 7.9536 3.8864 117.6594 +2.70e+07 Q104.N,HN; Q104.HA 753 76 7.9553 2.5971 117.6451 +2.94e+07 Q104.N,HN; Q104.HG1 751 76 7.9561 2.1686 117.6321 +4.03e+07 Q104.N,HN; Q103.HB1|HB2 752 77 7.9539 2.4247 117.5994 +4.05e+07 Q104.N,HN; Q104.HG2 748 77 7.9560 0.0015 117.5567 +7.17e+06 Q104.N,HN; V105.HG1# 88 77 7.9113 3.4803 117.4808 +9.59e+06 T15.N,HN; T15.HA 842 77 8.1204 4.3894 117.4704 +7.32e+06 S115.N,HN; T114.HA 85 78 7.9078 1.2309 117.3900 +2.44e+07 T15.N,HN; T15.HG2# 87 78 7.9033 2.6835 117.3532 +7.66e+06 T15.N,HN; S14.HB2 86 78 7.9050 1.4747 117.3488 +5.61e+06 T15.N,HN; A12.HB# 90 78 7.9137 4.1401 117.3198 +2.21e+07 T15.N,HN; T15.HB 857 78 8.0301 0.7082 117.3014 +7.00e+06 T22.N,HN; L21.HD2# 351 78 8.4392 4.0324 117.2655 +9.47e+06 S54.N,HN; S54.HB1 353 79 8.4309 4.6504 117.2131 +2.18e+07 S54.N,HN; F53.HA 236 79 7.2307 0.7813 117.2041 +3.55e+07 L39.N,HN; L39.HD1# 240 79 7.2350 1.8272 117.2005 +3.54e+07 L39.N,HN; L39.HB1 238 79 7.2336 1.4697 117.1992 +2.69e+07 L39.N,HN; L39.HB2 243 79 7.2269 3.7416 117.1945 +1.61e+07 L39.N,HN; L39.HA 352 79 8.4236 4.3516 117.1843 +1.50e+07 S54.N,HN; S54.HA 239 79 7.2307 1.6807 117.1799 +2.53e+07 L39.N,HN; L39.HG 131 79 8.0250 0.9276 117.1771 +1.21e+07 T22.N,HN; V28.HG2# 350 79 8.4313 3.7096 117.1745 +1.23e+07 S54.N,HN; S54.HB2 133 79 8.0299 4.2797 117.1616 +1.63e+07 T22.N,HN; T22.HB 237 79 7.2364 0.9787 117.1606 +1.02e+07 L39.N,HN; V36.HG2# 241 79 7.2378 2.0387 117.1597 +1.04e+07 L39.N,HN; V36.HB 244 79 7.2307 3.4863 117.1581 +9.33e+06 L39.N,HN; V36.HA 245 79 7.2366 3.8838 117.1580 +1.32e+07 L39.N,HN; R38.HA 497 79 8.3169 2.7793 117.1443 +1.11e+07 C69.N,HN; C69.HB1 502 79 8.3094 5.0145 117.1397 +1.56e+07 C69.N,HN; C69.HA 130 79 8.0268 1.1382 117.1225 +1.82e+07 T22.N,HN; T22.HG2# 905 79 8.3152 2.1235 117.1213 +1.98e+07 C69.N,HN; L65.HB1 492 79 8.3150 0.7641 117.1189 +1.53e+07 C69.N,HN; L40.HD2# 501 79 8.3118 4.5031 117.1169 +2.41e+07 C69.N,HN; R68.HA 496 79 8.3131 2.5070 117.1139 +1.93e+07 C69.N,HN; C69.HB2 132 79 8.0358 4.6872 117.1123 +1.02e+07 T22.N,HN; T22.HA 500 79 8.3135 4.1364 117.1037 +7.34e+06 C69.N,HN; Q67.HA 858 79 8.0220 1.2960 117.0940 +4.78e+06 T22.N,HN; T23.HG2# 494 79 8.3115 1.7267 117.0882 +2.27e+07 C69.N,HN; R68.HG1|HG2 499 79 8.3114 3.9626 117.0845 +7.81e+06 C69.N,HN; L65.HA 638 79 7.0228 4.5003 117.0269 +6.77e+06 V88.N,HN; Q86.HA 498 79 8.3080 3.1454 117.0250 +9.85e+06 C69.N,HN; R68.HD1|HD2 824 80 7.9374 4.4003 116.9961 +5.48e+06 S111.N,HN; L112.HA 630 80 7.0215 0.7165 116.9516 +6.88e+07 V88.N,HN; V88.HG2# 634 80 7.0212 1.9041 116.9486 +4.52e+07 V88.N,HN; V88.HB 629 80 7.0216 0.4490 116.9475 +2.87e+07 V88.N,HN; V88.HG1# 637 80 7.0282 4.0802 116.9467 +5.42e+06 V88.N,HN; G87.HA1 633 80 7.0145 1.4855 116.9434 +5.79e+06 V88.N,HN; I76.HG11 636 80 7.0208 3.7798 116.9422 +2.28e+07 V88.N,HN; V88.HA 631 80 7.0217 0.8997 116.9343 +1.23e+07 V88.N,HN; V62.HG1# 635 80 7.0331 2.4039 116.9300 +9.40e+06 V88.N,HN; Q86.HG1|HG2 639 80 7.0182 1.2590 116.9288 +5.63e+06 V88.N,HN; I78.HG12 529 80 7.5108 4.4519 116.9201 +6.56e+06 Q73.N,HN; L74.HA 528 80 7.5010 4.2512 116.9019 +2.66e+07 Q73.N,HN; Q73.HA 522 80 7.5026 1.3474 116.8965 +7.86e+06 Q73.N,HN; T70.HG2# 527 80 7.5003 4.0461 116.8933 +1.29e+07 Q73.N,HN; E72.HA 525 80 7.5040 2.3540 116.8662 +3.15e+07 Q73.N,HN; E72.HG2 523 80 7.5060 2.1726 116.8621 +2.44e+07 Q73.N,HN; Q73.HB1 822 80 7.9428 3.9612 116.8590 +5.30e+06 S111.N,HN; S111.HB1 524 80 7.5042 2.0170 116.8527 +2.27e+07 Q73.N,HN; E72.HB1 823 80 7.9312 4.4918 116.8127 +6.82e+06 S111.N,HN; S111.HA 526 81 7.4953 2.6797 116.7980 +5.15e+06 Q73.N,HN; P71.HB1 681 81 7.3986 1.8844 116.7722 +2.48e+07 L94.N,HN; P93.HB2 686 81 7.3968 4.5806 116.7614 +5.93e+07 L94.N,HN; P93.HA 928 81 7.3966 1.4982 116.7602 +2.40e+07 L94.N,HN; L94.HG 685 81 7.3953 4.4346 116.7574 +1.76e+07 L94.N,HN; G80.HA1 680 81 7.3929 1.3467 116.7571 +1.18e+07 L94.N,HN; L94.HB2 678 81 7.3958 0.8532 116.7557 +3.16e+07 L94.N,HN; L94.HD2# 683 81 7.3995 2.2995 116.7512 +2.47e+07 L94.N,HN; P93.HB1 682 81 7.4043 2.0310 116.7424 +1.77e+07 L94.N,HN; P93.HG1|HG2 684 81 7.3970 4.3248 116.7419 +1.90e+07 L94.N,HN; L94.HA 679 81 7.3967 1.0357 116.7114 +8.87e+06 L94.N,HN; I92.HG2# 962 81 7.3012 1.9971 116.6790 +6.92e+06 D33.N,HN; L31.HB1 688 81 7.3967 3.7474 116.6738 +7.15e+06 L94.N,HN; G80.HA2 506 81 8.5379 2.0528 116.6380 +1.05e+07 T70.N,HN; Q73.HB2 959 81 7.3026 0.0071 116.6257 +9.02e+06 D33.N,HN; V7.HG1# 191 81 7.3091 1.7281 116.6112 +9.16e+06 D33.N,HN; L31.HB2 511 82 8.5438 4.8191 116.5834 +1.40e+07 T70.N,HN; T70.HA 505 82 8.5400 2.1664 116.5802 +1.27e+07 T70.N,HN; Q73.HB1 193 82 7.2997 2.3430 116.5767 +1.26e+07 D33.N,HN; V32.HB 509 82 8.5400 2.7704 116.5711 +8.32e+06 T70.N,HN; C69.HB1 906 82 8.5401 2.3656 116.5644 +1.22e+07 T70.N,HN; E72.HG2 504 82 8.5418 1.3534 116.5610 +5.94e+07 T70.N,HN; T70.HG2# 510 82 8.5408 5.0099 116.5593 +6.09e+07 T70.N,HN; C69.HA 957 82 7.3017 4.7627 116.5574 +2.38e+07 D33.N,HN; D33.HA 961 82 7.3013 0.7705 116.5561 +4.11e+07 D33.N,HN; V32.HG1# 958 82 7.2948 4.5103 116.5536 +1.31e+07 D33.N,HN; V32.HA 194 82 7.2997 2.5811 116.5364 +1.97e+07 D33.N,HN; D33.HB1|HB2 708 83 9.1417 1.7890 116.3563 +7.07e+06 E99.N,HN; L102.HB1 710 83 9.1316 2.3493 116.3482 +2.98e+07 E99.N,HN; E99.HG1|HG2 956 83 9.1349 2.2055 116.3379 +1.49e+07 E99.N,HN; P98.HG2 955 83 9.1485 3.6844 116.3302 +7.30e+06 E99.N,HN; P98.HD1 709 83 9.1321 2.0688 116.3274 +5.13e+07 E99.N,HN; E99.HB1 712 83 9.1309 4.1621 116.3217 +2.10e+07 E99.N,HN; E99.HA 84 83 7.5822 4.1409 116.2319 +1.02e+07 S14.N,HN; T15.HB 79 84 7.5736 1.4948 116.1270 +6.91e+06 S14.N,HN; A12.HB# 77 84 7.5828 1.0392 116.1226 +1.52e+07 S14.N,HN; T13.HG2# 81 84 7.5836 3.3728 116.1183 +8.03e+06 S14.N,HN; S14.HA 82 84 7.5808 3.7019 116.1182 +1.61e+07 S14.N,HN; T13.HB 78 84 7.5801 1.2109 116.1163 +6.88e+06 S14.N,HN; S14.HB1 80 84 7.5828 2.7158 116.0918 +6.83e+06 S14.N,HN; S14.HB2 76 84 7.5619 0.2335 116.0731 +5.08e+06 S14.N,HN; L6.HD1# 83 84 7.5791 2.8604 116.0389 +5.26e+06 S14.N,HN; D10.HB1 650 86 7.2322 3.7905 115.7626 +8.43e+06 R90.N,HN; V88.HA 649 86 7.2388 2.6970 115.7530 +1.22e+07 R90.N,HN; F77.HB2 647 86 7.2347 0.4438 115.7357 +4.86e+07 R90.N,HN; V88.HG1# 653 86 7.2392 5.6877 115.7288 +1.63e+07 R90.N,HN; F77.HA 924 86 7.2351 1.4108 115.7272 +3.58e+07 R90.N,HN; R90.HB1 925 86 7.2397 2.3937 115.7192 +7.46e+06 R90.N,HN; D89.HB2 652 86 7.2326 4.6289 115.7149 +1.64e+07 R90.N,HN; D89.HA 651 86 7.2328 4.5398 115.6347 +2.11e+07 R90.N,HN; R90.HA 648 86 7.2289 0.7124 115.6234 +1.78e+07 R90.N,HN; V88.HG2# 127 87 8.3075 1.0891 115.4932 +2.12e+07 L21.N,HN; I20.HG2# 126 87 8.3042 0.9153 115.4842 +1.50e+07 L21.N,HN; V28.HG2# 128 87 8.3039 1.7451 115.4806 +1.63e+07 L21.N,HN; I20.HB 129 87 8.3078 4.2379 115.4722 +1.14e+07 L21.N,HN; L21.HA 125 87 8.3034 0.7072 115.4645 +2.65e+07 L21.N,HN; L21.HD2# 856 87 8.3071 1.9249 115.4599 +1.76e+07 L21.N,HN; L21.HG 124 87 8.3003 0.5828 115.4594 +1.78e+07 L21.N,HN; L21.HD1# 590 87 8.4632 0.8806 115.4434 +1.06e+07 S81.N,HN; L94.HD1# 488 87 7.2223 4.4984 115.4144 +2.49e+07 R68.N,HN; R68.HA 596 87 8.4611 4.4290 115.4028 +4.94e+07 S81.N,HN; S81.HA 480 87 7.2209 1.7161 115.3949 +4.08e+07 R68.N,HN; R68.HG1|HG2 597 88 8.4625 3.7405 115.3840 +2.76e+07 S81.N,HN; G80.HA2 595 88 8.4604 3.9183 115.3840 +6.18e+07 S81.N,HN; S81.HB1|HB2 593 88 8.4509 1.1945 115.3590 +1.34e+07 C18.N,HN; L21.HB2 484 88 7.2154 3.1342 115.3572 +1.71e+07 R68.N,HN; R68.HD1|HD2 945 88 8.4464 1.5760 115.3557 +1.57e+07 C18.N,HN; L16.HB1 946 88 8.4410 3.1230 115.3550 +1.14e+07 C18.N,HN; C18.HB1 947 88 7.2184 2.1379 115.3363 +3.66e+07 R68.N,HN; Q67.HB1|HB2 105 88 8.4452 0.7239 115.3277 +1.70e+07 C18.N,HN; I17.HG2# 482 88 7.2164 2.4737 115.3216 +1.12e+07 R68.N,HN; Q67.HG1 486 88 7.2253 4.1442 115.3192 +1.59e+07 R68.N,HN; Q67.HA 104 88 8.4457 0.2443 115.3100 +5.97e+06 C18.N,HN; L6.HD1# 852 88 8.4469 1.7611 115.3078 +6.24e+06 C18.N,HN; I20.HB 487 88 7.2159 3.9774 115.3050 +9.23e+06 R68.N,HN; L65.HA 479 88 7.2190 0.7582 115.2885 +1.34e+07 R68.N,HN; L65.HD1# 489 88 7.2165 2.5689 115.2583 +8.37e+06 R68.N,HN; Q67.HG2 247 89 8.1319 0.9987 115.0886 +1.00e+07 L40.N,HN; V36.HG2# 255 89 8.1389 3.7289 115.0816 +8.48e+06 L40.N,HN; L39.HA 257 89 8.1342 4.1481 115.0376 +6.75e+06 L40.N,HN; A41.HA 49 89 7.8830 1.4777 115.0354 +6.95e+06 S8.N,HN; A50.HB# 246 89 8.1333 0.7773 115.0312 +5.80e+07 L40.N,HN; L40.HD1# 249 89 8.1333 1.4573 115.0226 +3.34e+07 L40.N,HN; L39.HB2 874 89 8.1367 1.7313 115.0168 +3.47e+07 L40.N,HN; L40.HG 256 89 8.1367 3.9295 115.0125 +2.65e+07 L40.N,HN; L40.HA 254 89 8.1377 3.4813 114.9902 +5.91e+06 L40.N,HN; V36.HA 51 90 7.8826 4.5012 114.9671 +8.73e+06 S8.N,HN; V32.HA 47 90 7.8915 0.0052 114.9333 +1.83e+07 S8.N,HN; V7.HG1# 48 90 7.8894 0.7406 114.9253 +1.46e+07 S8.N,HN; L6.HD2# 73 90 8.0502 1.7675 114.9083 +7.06e+06 T13.N,HN; L16.HB2 52 90 7.8905 5.0700 114.8992 +2.64e+07 S8.N,HN; V7.HA 50 90 7.8965 4.7655 114.8683 +6.79e+06 S8.N,HN; S8.HA 75 90 8.0479 3.7072 114.8463 +3.33e+07 T13.N,HN; T13.HB 72 90 8.0481 1.4926 114.8434 +5.08e+07 T13.N,HN; A12.HB# 70 90 8.0425 1.0270 114.8099 +1.87e+07 T13.N,HN; T13.HG2# 966 91 7.1268 1.2264 114.7609 +1.18e+07 L42.N,HN; T43.HG2# 74 91 8.0481 4.1095 114.7245 +1.08e+07 T13.N,HN; A12.HA 272 91 7.1248 1.8200 114.7117 +1.76e+07 L42.N,HN; L42.HG 967 91 7.1228 1.4760 114.7108 +3.29e+07 L42.N,HN; A41.HB# 269 91 7.1195 0.7598 114.7066 +2.70e+07 L42.N,HN; L42.HD2# 273 91 7.1259 1.9908 114.7035 +1.25e+07 L42.N,HN; L42.HB1 268 91 7.1224 0.8801 114.6986 +2.14e+07 L42.N,HN; L42.HD1# 965 91 7.1278 3.4430 114.6873 +5.55e+06 L42.N,HN; P44.HD2 964 91 7.1157 3.8978 114.6814 +1.08e+07 L42.N,HN; T43.HA 276 91 7.1236 4.1286 114.6771 +2.05e+07 L42.N,HN; A41.HA 512 94 7.8735 1.3594 114.1433 +1.10e+07 E72.N,HN; T70.HG2# 908 94 7.8743 2.2559 114.1317 +3.27e+07 E72.N,HN; E72.HG1 519 94 7.8733 4.4864 114.1261 +8.76e+06 E72.N,HN; P71.HA 520 94 7.8751 4.7803 114.1208 +1.41e+07 E72.N,HN; T70.HB 513 94 7.8728 1.9638 114.1204 +5.01e+07 E72.N,HN; E72.HB2 515 94 7.8729 4.0428 114.1168 +2.93e+07 E72.N,HN; E72.HA 516 94 7.8792 3.8995 114.1147 +1.06e+07 E72.N,HN; P71.HD1|HD2 518 94 7.8743 4.2355 114.1045 +7.28e+06 E72.N,HN; Q73.HA 514 94 7.8798 2.6780 114.0797 +9.56e+06 E72.N,HN; P71.HB1 954 96 7.7929 2.0667 113.6904 +2.78e+07 S100.N,HN; P98.HB2 715 96 7.7978 2.3512 113.6788 +1.88e+07 S100.N,HN; E99.HG1|HG2 722 96 7.7945 4.6083 113.6632 +2.24e+07 S100.N,HN; S100.HA 721 96 7.7977 4.1174 113.6618 +2.53e+07 S100.N,HN; S100.HB1 720 96 7.7989 3.9290 113.6437 +2.48e+07 S100.N,HN; S100.HB2 777 100 8.2434 3.9912 112.8789 +1.30e+07 T106.N,HN; Q103.HA 774 100 8.2510 2.1266 112.8554 +5.14e+06 T106.N,HN; M107.HB1 770 100 8.2421 0.3047 112.8518 +1.89e+07 T106.N,HN; V105.HG2# 778 100 8.2469 4.2318 112.8469 +2.30e+07 T106.N,HN; T106.HB 776 100 8.2475 3.7694 112.8409 +2.17e+07 T106.N,HN; T106.HA 769 100 8.2445 0.0047 112.8373 +1.84e+07 T106.N,HN; V105.HG1# 775 100 8.2435 3.2380 112.8365 +8.22e+06 T106.N,HN; V105.HA 772 100 8.2485 1.2393 112.8310 +3.83e+07 T106.N,HN; T106.HG2# 771 100 8.2406 0.8521 112.8259 +6.26e+06 T106.N,HN; L102.HD2# 773 100 8.2462 1.5551 112.8114 +1.93e+07 T106.N,HN; V105.HB 841 102 7.9486 4.4060 112.4975 +3.24e+07 T114.N,HN; A113.HA 836 102 7.9443 1.4398 112.4720 +7.80e+06 T114.N,HN; A113.HB# 838 102 7.9355 4.2868 112.4530 +7.09e+06 T114.N,HN; T114.HB 968 105 7.6195 4.7908 111.9342 +1.09e+07 V32.N,HN; L31.HA 186 105 7.6221 0.7599 111.8972 +3.29e+07 V32.N,HN; V32.HG1# 291 107 8.8057 2.1278 111.4078 +8.53e+06 I45.N,HN; I45.HB 290 107 8.8027 1.6650 111.3620 +5.61e+06 I45.N,HN; R3.HB2 289 108 8.7962 1.3561 111.2996 +1.69e+07 I45.N,HN; I45.HG11|HG12 287 108 8.7922 1.0211 111.2947 +1.65e+07 I45.N,HN; A46.HB# 293 108 8.7997 4.5663 111.2945 +1.23e+07 I45.N,HN; P44.HA 288 108 8.7946 1.1724 111.2793 +2.00e+07 I45.N,HN; I45.HG2# 292 108 8.7938 4.6708 111.2688 +1.30e+07 I45.N,HN; I45.HA 819 108 7.5956 4.2228 111.1890 +1.16e+07 T110.N,HN; M107.HA 816 108 7.5971 1.6623 111.1492 +1.08e+07 T110.N,HN; L109.HB2 942 108 7.5988 4.3608 111.1369 +8.01e+07 T110.N,HN; T110.HA 606 108 6.5334 3.3949 111.1266 +1.32e+07 G83.N,HN; G83.HA2 815 109 7.5991 1.2974 111.1108 +5.85e+07 T110.N,HN; T110.HG2# 817 109 7.5995 1.9499 111.1079 +1.47e+07 T110.N,HN; L109.HB1 607 109 6.5306 3.5834 111.1021 +4.16e+07 G83.N,HN; K82.HA 604 109 6.5274 1.1622 111.0782 +1.90e+07 G83.N,HN; K82.HG1|HG2 605 109 6.5307 1.5547 111.0717 +1.51e+07 G83.N,HN; K82.HD1|HD2 814 109 7.6022 0.7594 111.0658 +2.00e+07 T110.N,HN; L109.HD2# 608 109 6.5310 4.0784 111.0594 +7.30e+06 G83.N,HN; G83.HA1 582 113 8.5573 1.1901 110.1955 +8.31e+06 G80.N,HN; I78.HG2# 585 113 8.5573 3.7368 110.1948 +1.44e+07 G80.N,HN; G80.HA2 584 113 8.5476 1.8519 110.1933 +8.07e+06 G80.N,HN; I92.HB 580 113 8.5535 0.8440 110.1905 +2.88e+07 G80.N,HN; L79.HD1#|HD2# 918 113 8.5569 1.5457 110.1787 +2.02e+07 G80.N,HN; L79.HB1|HB2 586 113 8.5561 4.4345 110.1756 +1.52e+07 G80.N,HN; G80.HA1 589 113 8.5417 5.3089 110.1700 +8.03e+06 G80.N,HN; Y91.HA 588 113 8.5541 5.5467 110.1689 +3.72e+07 G80.N,HN; L79.HA 587 113 8.5555 4.5762 110.1624 +1.32e+07 G80.N,HN; P93.HA 581 113 8.5521 1.0434 110.1483 +6.50e+06 G80.N,HN; I92.HG2# 366 118 7.3754 3.2035 109.1795 +6.64e+06 G56.N,HN; Y55.HB1 362 119 7.3704 3.7666 109.0913 +3.65e+07 G56.N,HN; G56.HA2 363 119 7.3683 4.2437 109.0829 +2.77e+07 G56.N,HN; G56.HA1 371 119 7.3723 4.7601 109.0708 +3.00e+07 G56.N,HN; Y55.HA 199 123 8.4970 3.3870 108.2380 +1.20e+07 G34.N,HN; G34.HA2 198 123 8.5017 2.5839 108.2240 +1.19e+07 G34.N,HN; D33.HB1|HB2 201 123 8.5003 4.7431 108.2190 +2.11e+07 G34.N,HN; D33.HA 200 123 8.4986 3.9555 108.2178 +1.04e+07 G34.N,HN; G34.HA1 282 125 7.6435 3.4454 107.8212 +1.08e+07 T43.N,HN; P44.HD2 277 125 7.6382 0.7532 107.8186 +1.78e+07 T43.N,HN; L42.HD2# 283 125 7.6402 3.5486 107.8161 +9.64e+06 T43.N,HN; P44.HD1 286 125 7.6382 4.4247 107.8098 +1.63e+07 T43.N,HN; T43.HB 279 125 7.6399 1.2167 107.7945 +5.93e+07 T43.N,HN; T43.HG2# 284 125 7.6403 3.8844 107.7906 +5.04e+07 T43.N,HN; T43.HA 281 125 7.6396 1.7917 107.7868 +6.43e+06 T43.N,HN; L40.HB1 285 125 7.6390 4.1363 107.7837 +1.15e+07 T43.N,HN; A41.HA 278 125 7.6296 0.9479 107.7733 +7.39e+06 T43.N,HN; V5.HG2# 280 125 7.6381 1.4604 107.7418 +9.61e+06 T43.N,HN; A41.HB# ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN . 'not observed' 9615.385 Hz . . . 2828.00 . . 30093 2 2 . . N 15 N . folded 1583.899 Hz . . . 7278.86 . . 30093 2 3 . . H 1 H-aliphatic . 'not observed' 5590.535 Hz . . . 2828.00 . . 30093 2 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 3 $software_3 . . 30093 2 5 $software_5 . . 30093 2 stop_ save_ save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 30093 _Spectral_peak_list.ID 3 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID . _Spectral_peak_list.Chem_shift_reference_label . _Spectral_peak_list.Experiment_ID 15 _Spectral_peak_list.Experiment_name '3D 13C edited 1H-13C NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details ; Residue numbering for CikA is offset by 612. For example, residues 613 to 729 in CikA is residue 1 to 117 in this peak list. ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Peak Pick Table, File: c13noesy_combine_v9.PCK # # Input Parameters: DATA DIMCOUNT 3 DATA X_AXIS 256 4027.58 601.13 3817.188 PPM 0.00 DATA Y_AXIS 1024 7211.54 601.13 5409.165 PPM 0.00 DATA Z_AXIS 128 3023.20 151.16 7830.098 PPM 0.00 # FORMAT %4d %4d %9.4f %9.4f %9.4f %+8.2e %10s VARS PkID Sl.Z X Y Z Intensity Assign 1902 1 4.8968 2.3651 51.7710 +1.46e+07 V32.CB,HB; E9.HA 1321 1 0.6680 1.9261 51.7336 +1.74e+07 V7.CB,HB; V7.HG2# 1273 2 0.7488 2.3551 51.7131 +9.20e+07 V32.CB,HB; V32.HG1# 1632 2 -0.0909 1.1853 51.7061 +7.45e+07 V58.CB,HB; V58.HG1# 651 2 3.3187 1.1732 51.7009 +2.78e+07 V58.CB,HB; V58.HA 340 2 4.5197 2.3557 51.6962 +2.96e+07 V32.CB,HB; V32.HA 1631 2 0.2350 1.1818 51.6806 +8.33e+07 V58.CB,HB; V58.HG2# 1154 2 3.2333 1.5698 51.6457 +1.13e+07 V105.CB,HB; V105.HA 106 2 4.8831 2.1105 51.6259 +1.31e+07 E9.CB,HB2; E9.HA 1320 3 -0.0307 1.9051 51.5551 +1.42e+07 V7.CB,HB; V7.HG1# 1157 3 0.3194 1.5675 51.5040 +3.65e+07 V105.CB,HB; V105.HG2# 1155 3 3.6513 1.5690 51.4810 +1.20e+07 V105.CB,HB; L102.HA 1156 3 0.0094 1.5580 51.4721 +2.98e+07 V105.CB,HB; V105.HG1# 2027 4 -0.0680 8.7796 51.3312 +9.32e+06 **** 1040 6 2.0090 3.8142 51.0628 +1.19e+07 P93.CD,HD1|HD2; P93.HG1|HG2 603 8 1.4758 5.3495 50.6607 +4.01e+07 A50.CA,HA; A50.HB# 1606 8 1.5847 5.3498 50.6576 +2.54e+07 A50.CA,HA; L79.HB1|HB2 1257 9 2.2946 2.1188 50.6060 +1.19e+08 Q117.CB,HB1; Q117.HG1|HG2 1607 9 0.8354 5.3482 50.5909 +2.06e+07 A50.CA,HA; L79.HD1#|HD2# 1569 9 0.6788 5.3830 50.5031 +2.28e+07 A46.CA,HA; L74.HD1# 522 9 1.0297 5.3836 50.4727 +3.10e+07 A46.CA,HA; A46.HB# 117 11 4.1445 2.2357 50.3006 +2.16e+07 E11.CB,HB1|HB2; E11.HA 1382 11 2.4850 2.2447 50.2450 +4.69e+07 E11.CB,HB1|HB2; E11.HG1 1234 12 1.2992 4.3371 50.0582 +2.85e+08 T110.CB,HB; T110.HG2# 473 14 3.8791 4.4230 49.7807 +4.63e+07 T43.CB,HB; T43.HA 1255 14 1.2385 4.2805 49.7753 +1.04e+08 T114.CB,HB; T114.HG2# 477 14 1.2116 4.4214 49.7501 +1.67e+08 T43.CB,HB; T43.HG2# 1754 15 4.4988 2.0624 49.6687 +2.22e+07 Q86.CB,HB1; Q86.HA 1096 16 2.3491 2.0683 49.4668 +1.84e+08 E99.CB,HB1; E99.HG1|HG2 1095 16 4.1448 2.0685 49.4635 +5.57e+07 E99.CB,HB1; E99.HA 807 16 4.0529 1.9547 49.4579 +1.96e+07 E72.CB,HB2; E72.HA 921 19 2.9502 1.5549 49.0125 +1.02e+08 K82.CD,HD1|HD2; K82.HE1|HE2 922 19 3.5785 1.5475 49.0071 +1.78e+07 K82.CD,HD1|HD2; K82.HA 923 19 1.1760 1.5511 48.9952 +1.30e+08 K82.CD,HD1|HD2; K82.HG1|HG2 1679 19 2.6003 2.1641 48.9809 +2.28e+07 Q67.CB,HB1|HB2; Q67.HG2 313 19 1.5364 1.3224 48.9383 +2.03e+07 I29.CG1,HG11; I29.HG12 314 19 0.8852 1.3215 48.9351 +2.69e+07 I29.CG1,HG11; I29.HG2# 1514 20 3.9384 1.9867 48.8936 +1.94e+07 E37.CB,HB2; E37.HA 761 20 4.1431 2.1639 48.8643 +3.32e+07 Q67.CB,HB1|HB2; Q67.HA 1191 20 2.1965 4.2507 48.8169 +1.70e+07 T106.CB,HB; Q103.HB1|HB2 764 20 2.4562 2.1584 48.7893 +4.20e+07 Q67.CB,HB1|HB2; Q67.HG1 245 21 3.7518 4.3679 48.7335 +1.25e+07 T23.CB,HB; I20.HA 242 21 4.0244 4.3539 48.7299 +4.03e+07 T23.CB,HB; T23.HA 1187 21 1.2466 4.2401 48.7166 +1.34e+08 T106.CB,HB; T106.HG2# 247 21 1.3091 4.3494 48.7118 +1.31e+08 T23.CB,HB; T23.HG2# 1184 21 3.7802 4.2480 48.6948 +3.21e+07 T106.CB,HB; T106.HA 1185 21 3.9975 4.2406 48.6386 +3.47e+07 T106.CB,HB; Q103.HA 1728 22 0.6598 1.2809 48.5236 +2.15e+07 I78.CG1,HG12; I78.HD1# 560 22 0.8445 1.6020 48.5035 +6.80e+07 L48.CG,HG; L48.HD2# 1520 22 0.7847 1.6915 48.4482 +8.43e+07 L39.CG,HG; L39.HD1# 236 23 1.1455 4.2831 48.4069 +3.88e+07 T22.CB,HB; T22.HG2# 423 23 1.8236 1.6882 48.3995 +3.71e+07 L39.CG,HG; L39.HB1 424 23 1.4789 1.6902 48.3930 +4.48e+07 L39.CG,HG; L39.HB2 421 23 3.7351 1.6875 48.3898 +2.59e+07 L39.CG,HG; L39.HA 559 23 0.7144 1.5900 48.3850 +8.02e+07 L48.CG,HG; L48.HD1# 1519 23 0.9784 1.6930 48.3424 +3.87e+07 L39.CG,HG; V5.HG1# 1586 23 1.0382 1.5965 48.3097 +1.58e+07 L48.CG,HG; A46.HB# 889 24 5.5660 1.6141 48.2774 +1.29e+07 L79.CG,HG; L79.HA 832 24 2.9865 1.5246 48.2421 +1.58e+07 K75.CD,HD2; K75.HE2 139 24 1.2294 4.1361 48.2343 +6.71e+07 T15.CB,HB; T15.HG2# 234 24 4.6842 4.2633 48.1975 +1.05e+07 T22.CB,HB; T22.HA 791 24 3.8856 4.7639 48.1622 +1.09e+07 T70.CB,HB; P71.HD1|HD2 1137 24 2.3984 2.1987 48.1600 +6.45e+07 Q103.CB,HB1|HB2; Q103.HG1 1134 24 3.9840 2.1911 48.1511 +2.64e+07 Q103.CB,HB1|HB2; Q103.HA 1835 24 4.5779 2.1858 48.1481 +1.49e+07 Q103.CB,HB1|HB2; S100.HA 792 25 1.3538 4.7740 48.0878 +4.35e+07 T70.CB,HB; T70.HG2# 129 25 1.0392 3.7061 48.0871 +7.61e+07 T13.CB,HB; T13.HG2# 831 26 4.9387 1.5291 47.9511 +1.17e+07 K75.CD,HD2; K75.HA 1769 26 0.4425 1.4387 47.9174 +1.47e+07 R90.CG,HG2; I92.HD1# 130 26 1.4893 3.7013 47.8865 +1.22e+07 T13.CB,HB; A12.HB# 975 27 4.5551 1.4569 47.7990 +1.32e+07 R90.CG,HG2; R90.HA 974 27 4.5412 1.3910 47.7863 +1.17e+07 R90.CG,HG1; R90.HA 710 27 2.0721 3.2403 47.7858 +1.12e+07 V62.CA,HA; V62.HB 977 27 3.0551 1.3894 47.7845 +1.43e+07 R90.CG,HG1; R90.HD1 979 27 2.8753 1.4391 47.7794 +1.77e+07 R90.CG,HG2; R90.HD2 976 27 3.0409 1.4428 47.7763 +1.92e+07 R90.CG,HG2; R90.HD1 712 27 0.7160 3.2447 47.7309 +5.58e+07 V62.CA,HA; V62.HG2# 711 27 0.9120 3.2512 47.7224 +2.58e+07 V62.CA,HA; V62.HG1# 978 27 2.8708 1.3936 47.6896 +1.65e+07 R90.CG,HG1; R90.HD2 981 27 0.4579 1.3731 47.6758 +1.74e+07 R90.CG,HG1; I92.HD1# 1367 27 0.7458 1.2306 47.6597 +2.30e+07 L6.CG,HG; L6.HD2# 140 28 1.2355 3.4769 47.6126 +2.62e+07 T15.CA,HA; T15.HG2# 696 28 0.8305 1.5641 47.6091 +1.05e+08 L61.CG,HG; L61.HD2# 1017 28 0.4530 1.3646 47.6056 +1.72e+07 I92.CG1,HG11; I92.HD1# 1684 29 3.9520 1.7152 47.4593 +1.25e+07 R68.CG,HG1|HG2; Q64.HA 694 29 4.0258 1.5464 47.4376 +2.11e+07 L61.CG,HG; L61.HA 778 29 2.0954 1.7138 47.4264 +3.39e+07 R68.CG,HG1|HG2; R68.HB1 1530 29 3.1414 1.7136 47.4250 +7.63e+07 R68.CG,HG1|HG2; R68.HD1|HD2 1649 29 3.2948 1.5504 47.4166 +1.15e+07 L61.CG,HG; V58.HA 776 29 4.4735 1.7104 47.3655 +3.30e+07 R68.CG,HG1|HG2; R68.HA 1685 29 2.4738 1.7247 47.3645 +1.37e+07 R68.CG,HG1|HG2; Q67.HG1 1686 30 0.7889 1.7153 47.2550 +6.00e+07 R68.CG,HG1|HG2; L40.HD2# 1037 31 3.8074 2.0441 47.1464 +1.74e+07 P93.CG,HG1|HG2; P93.HD1|HD2 1247 31 4.4051 1.6604 47.1348 +5.08e+07 L112.CG,HG; L112.HA 1038 31 2.2932 2.0223 47.1123 +1.95e+07 P93.CG,HG1|HG2; P93.HB1 1039 31 1.8837 2.0261 47.0984 +1.97e+07 P93.CG,HG1|HG2; P93.HB2 1496 32 1.8307 3.4893 47.0193 +1.84e+07 V36.CA,HA; L39.HB1 1548 32 1.9786 0.8997 47.0187 +1.98e+07 L42.CD1,HD1#; L42.HB1 1831 32 1.2456 1.6208 47.0047 +1.58e+07 L102.CG,HG; T106.HG2# 149 32 0.8637 1.3496 46.9920 +4.38e+07 L16.CG,HG; L16.HD1# 1497 32 1.4743 3.4785 46.9843 +1.80e+07 V36.CA,HA; L39.HB2 148 32 4.0960 1.3434 46.9636 +1.30e+07 L16.CG,HG; L16.HA 1806 32 0.8307 1.0669 46.9580 +2.50e+07 I96.CG1,HG11|HG12; L79.HD1#|HD2# 1324 32 0.9876 3.4923 46.9562 +5.88e+07 V36.CA,HA; V36.HG2# 1302 32 2.0551 3.4916 46.9301 +4.14e+07 V36.CA,HA; V36.HB 1072 32 0.4215 1.0687 46.9116 +3.46e+07 I96.CG1,HG11|HG12; I96.HG2# 1071 32 1.6648 1.0656 46.9101 +1.82e+07 I96.CG1,HG11|HG12; I96.HB 235 32 1.1444 4.7064 46.9032 +3.74e+07 T22.CA,HA; T22.HG2# 1498 32 0.7912 3.4900 46.8969 +7.08e+07 V36.CA,HA; L61.HD1# 1073 32 0.2159 1.0636 46.8917 +3.84e+07 I96.CG1,HG11|HG12; I96.HD1# 1900 32 1.4824 0.8918 46.8880 +3.32e+07 L42.CD1,HD1#; A41.HB# 1192 33 0.7421 3.7766 46.8781 +2.68e+07 T106.CA,HA; L109.HD1# 824 33 4.4641 0.6552 46.8743 +1.80e+07 L74.CD2,HD2#; L74.HA 439 33 3.9202 1.7083 46.8709 +1.17e+07 L40.CG,HG; L40.HA 1093 33 2.0638 3.9538 46.8590 +1.54e+07 P98.CA,HA; P98.HB2 464 33 0.8884 1.8378 46.8447 +4.11e+07 L42.CG,HG; L42.HD1# 468 33 1.8412 0.8932 46.8410 +5.51e+07 L42.CD1,HD1#; L42.HG 828 33 1.1808 0.6479 46.8227 +6.01e+07 L74.CD2,HD2#; L74.HG 466 33 4.0989 0.8984 46.8140 +1.42e+07 L42.CD1,HD1#; L42.HA 465 33 0.7603 1.8272 46.8070 +2.57e+07 L42.CG,HG; L42.HD2# 1188 33 1.2481 3.7749 46.8030 +6.94e+07 T106.CA,HA; T106.HG2# 825 33 2.4932 0.6451 46.7971 +9.82e+06 L74.CD2,HD2#; C69.HB2 1899 33 3.7371 0.8992 46.7898 +1.65e+07 L42.CD1,HD1#; L39.HA 1702 33 1.7360 0.6542 46.7455 +2.03e+07 L74.CD2,HD2#; V47.HB 1186 33 4.2312 3.7753 46.7359 +3.16e+07 T106.CA,HA; T106.HB 1853 33 1.5561 3.7794 46.7302 +1.06e+07 T106.CA,HA; V105.HB 1190 34 1.9600 3.7708 46.7029 +1.34e+07 T106.CA,HA; L109.HG 1534 34 3.9406 0.7941 46.6099 +7.13e+07 L40.CD2,HD2#; L40.HA 426 34 3.7172 0.7802 46.5971 +1.99e+07 L39.CD1,HD1#; L39.HA 599 35 4.8955 0.5786 46.5566 +1.33e+07 L49.CD2,HD2#; L49.HA 1538 35 2.2347 0.7895 46.5286 +1.19e+07 L40.CD2,HD2#; E37.HG1 243 35 4.3518 4.0258 46.5242 +4.22e+07 T23.CA,HA; T23.HB 248 35 1.3104 4.0217 46.5213 +8.32e+07 T23.CA,HA; T23.HG2# 1955 35 0.7530 1.3590 46.5136 +2.97e+07 I45.CG1,HG11|HG12; L109.HD2# 250 35 1.1614 4.0425 46.5135 +1.20e+07 T23.CA,HA; T22.HG2# 1521 35 3.4856 0.7839 46.5110 +6.43e+07 L39.CD1,HD1#; V36.HA 1525 35 0.6474 0.7867 46.4975 +1.76e+08 L39.CD1,HD1#; V7.HG2# 1524 35 0.9927 0.7854 46.4949 +1.42e+08 L39.CD1,HD1#; V36.HG2# 451 35 2.0443 0.7903 46.4940 +5.23e+07 L40.CD2,HD2#; R68.HB1 246 35 3.7354 4.0307 46.4875 +1.00e+07 T23.CA,HA; I20.HA 503 35 2.1425 1.3640 46.4759 +1.26e+07 I45.CG1,HG11|HG12; I45.HB 1215 35 4.3674 1.9502 46.4728 +9.98e+06 L109.CG,HG; L109.HA 508 35 1.0409 1.3682 46.4582 +4.22e+07 I45.CG1,HG11|HG12; I45.HD1# 1675 35 0.7570 1.9607 46.4571 +5.71e+07 L65.CG,HG; L65.HD1# 73 35 1.3684 1.0307 46.4546 +1.14e+07 L6.CB,HB2; L48.HB2 601 35 -0.0859 0.5748 46.4454 +3.46e+07 L49.CD2,HD2#; V58.HG1# 1747 35 1.0536 0.8417 46.4266 +1.15e+08 L79.CD1|CD2,HD1#|HD2#; I96.HG11|HG12 509 35 1.1743 1.3719 46.4203 +1.83e+07 I45.CG1,HG11|HG12; I45.HG2# 1604 35 1.5357 0.5748 46.4201 +5.45e+07 L49.CD2,HD2#; L49.HG 602 36 0.2438 0.5767 46.3848 +5.03e+07 L49.CD2,HD2#; L6.HD1# 593 36 0.5814 1.5152 46.3834 +3.53e+07 L49.CG,HG; L49.HD2# 1536 36 3.1539 0.7953 46.3830 +4.03e+07 L40.CD2,HD2#; R68.HD1|HD2 600 36 2.0308 0.5825 46.3828 +1.44e+07 L49.CD2,HD2#; L49.HB1 1326 36 0.7166 3.1020 46.3669 +3.65e+07 I17.CA,HA; I17.HG2# 1595 36 0.4272 0.8387 46.3428 +2.91e+08 L79.CD1|CD2,HD1#|HD2#; I96.HG2# 1327 36 0.4026 3.1051 46.3331 +1.64e+07 I17.CA,HA; I17.HD1# 1596 36 0.2241 0.8423 46.3286 +2.19e+08 L79.CD1|CD2,HD1#|HD2#; I96.HD1# 891 36 5.5585 0.8379 46.3276 +5.72e+07 L79.CD1|CD2,HD1#|HD2#; L79.HA 1216 36 0.8296 1.9451 46.3129 +6.57e+07 L65.CG,HG; L61.HD2# 1605 36 3.3366 0.5801 46.2976 +9.39e+06 L49.CD2,HD2#; V58.HA 1597 36 0.0067 0.8367 46.2850 +4.55e+07 L48.CD2,HD2#; V105.HG1# 1397 36 1.0595 3.1001 46.2837 +1.20e+07 I17.CA,HA; I20.HG2# 1970 36 1.5906 0.8412 46.2561 +2.02e+08 L48.CD2,HD2#; L48.HG 1625 37 1.5834 3.3159 46.2419 +1.67e+07 V58.CA,HA; L49.HB2 1742 37 5.3353 0.8350 46.2251 +2.57e+07 L79.CD1|CD2,HD1#|HD2#; A50.HA 645 37 1.1870 3.3205 46.1839 +2.97e+07 V58.CA,HA; V58.HB 1991 37 5.1167 0.8435 46.1553 +2.39e+07 L79.CD1|CD2,HD1#|HD2#; L48.HA 1628 37 0.6833 3.3258 46.1541 +1.61e+07 V58.CA,HA; V62.HG2# 1842 37 0.7402 3.2376 46.1461 +1.45e+07 V105.CA,HA; L109.HD1# 650 37 0.2406 3.3195 46.1428 +5.55e+07 V58.CA,HA; V58.HG2# 649 37 -0.0859 3.3159 46.1337 +3.79e+07 V58.CA,HA; V58.HG1# 1150 38 0.3210 3.2341 46.0731 +4.96e+07 V105.CA,HA; V105.HG2# 1149 38 0.0085 3.2320 46.0482 +4.44e+07 V105.CA,HA; V105.HG1# 1148 38 1.5600 3.2406 46.0462 +1.71e+07 V105.CA,HA; V105.HB 1372 38 1.4523 0.2569 46.0406 +2.15e+07 L6.CD1,HD1#; A50.HB# 1843 38 0.4555 3.2418 46.0270 +1.51e+07 V105.CA,HA; I92.HD1# 1790 38 3.7316 0.8896 46.0259 +4.03e+07 L94.CD1,HD1#; G80.HA2 1792 38 1.4888 0.8923 46.0206 +1.40e+08 L94.CD1,HD1#; L94.HG 333 38 4.8055 0.8462 46.0189 +1.55e+07 L31.CD2,HD2#; L31.HA 1046 38 0.2314 0.8971 46.0187 +2.84e+07 L94.CD1,HD1#; I96.HD1# 62 38 1.2083 0.2523 46.0149 +4.09e+07 L6.CD1,HD1#; L6.HG 1371 38 1.6147 0.2579 46.0140 +2.99e+07 L6.CD1,HD1#; L6.HB1 1368 38 3.3739 0.2538 46.0087 +3.57e+07 L6.CD1,HD1#; S8.HB2 1373 38 0.9922 0.2549 46.0037 +4.93e+07 L6.CD1,HD1#; L6.HB2 1217 38 4.3784 0.7271 46.0033 +2.28e+07 L109.CD1,HD1#; L109.HA 1374 38 0.4047 0.2540 46.0000 +4.24e+07 L6.CD1,HD1#; I17.HD1# 1627 38 0.8180 3.3166 45.9957 +2.60e+07 V58.CA,HA; L61.HD2# 1745 38 3.7307 0.8464 45.9862 +3.15e+07 L79.CD1|CD2,HD1#|HD2#; G80.HA2 1789 38 4.4252 0.8952 45.9749 +4.24e+07 L94.CD1,HD1#; P95.HA 1861 38 1.9560 0.7245 45.9425 +1.02e+08 L109.CD1,HD1#; L109.HG 1370 39 2.7046 0.2478 45.8737 +1.83e+07 L6.CD1,HD1#; F77.HB2 1587 39 2.7150 0.6995 45.8662 +1.88e+07 L48.CD1,HD1#; F77.HB2 813 39 0.6463 1.3201 45.8635 +1.59e+07 L74.CB,HB1; L74.HD2# 1862 39 0.1373 0.7136 45.8589 +1.54e+08 L48.CD1,HD1#; I4.HD1# 1863 39 0.0040 0.7079 45.8463 +1.17e+08 L109.CD1,HD1#; V105.HG1# 562 39 5.1004 0.7082 45.8306 +4.12e+07 L48.CD1,HD1#; L48.HA 160 39 1.3343 0.7566 45.7946 +7.42e+07 L16.CD2,HD2#; L16.HG 568 40 1.5877 0.7117 45.7599 +2.25e+08 L48.CD1,HD1#; L48.HG 1394 40 0.4172 0.7585 45.7384 +1.21e+08 L16.CD2,HD2#; I17.HD1# 1329 40 1.0540 3.7136 45.6980 +7.38e+07 T13.CA,HA; T13.HG2# 433 41 3.7297 0.7587 45.6086 +6.54e+07 L39.CD2,HD2#; L39.HA 1526 41 2.2165 0.7678 45.5867 +1.89e+07 L39.CD2,HD2#; P44.HB1 2025 41 1.6606 0.9557 45.5386 +5.15e+08 L102.CD1,HD1#; A24.HB# 1974 41 0.2403 0.7862 45.5337 +1.36e+08 L61.CD1,HD1#; V58.HG2# 1395 41 1.7124 0.7619 45.5181 +2.24e+08 L39.CD2,HD2#; L39.HG 1120 42 3.6480 0.9633 45.4682 +3.56e+07 L102.CD1,HD1#; L102.HA 1653 42 -0.0127 0.7857 45.4511 +4.00e+07 L39.CD2,HD2#; V7.HG1# 1527 42 0.9838 0.7607 45.4260 +2.67e+08 L39.CD2,HD2#; V5.HG2# 1651 42 2.0556 0.7921 45.4204 +3.64e+07 L61.CD1,HD1#; Q64.HB2 1650 42 3.3643 0.7893 45.3990 +3.51e+07 L61.CD1,HD1#; G34.HA2 1406 43 0.9544 3.8942 45.1616 +3.80e+07 C18.CA,HA; V28.HG2# 1407 44 0.7162 3.8918 45.1223 +1.16e+07 C18.CA,HA; I17.HG2# 799 44 2.1908 4.5064 45.0619 +1.67e+07 P71.CA,HA; P71.HG2 800 44 1.8695 4.4996 45.0349 +3.07e+07 P71.CA,HA; P71.HB2 798 44 2.6835 4.4921 45.0035 +2.98e+07 P71.CA,HA; P71.HB1 910 46 3.5832 1.1699 44.7049 +3.71e+07 K82.CG,HG1|HG2; K82.HA 918 47 1.6628 1.1660 44.6796 +5.07e+07 K82.CG,HG1|HG2; K82.HB1 911 47 2.9533 1.1674 44.6504 +7.20e+07 K82.CG,HG1|HG2; K82.HE1|HE2 1599 47 5.0723 0.7100 44.6408 +1.82e+07 L49.CD1,HD1#; I78.HA 1603 47 -0.0154 0.7087 44.5752 +5.84e+07 L49.CD1,HD1#; V7.HG1# 591 47 4.8867 0.7074 44.5691 +4.80e+07 L49.CD1,HD1#; L49.HA 1600 47 1.9337 0.7066 44.5688 +5.29e+07 L49.CD1,HD1#; V7.HB 1602 47 0.2469 0.7103 44.5503 +7.85e+07 L49.CD1,HD1#; V58.HG2# 364 47 4.7484 2.5786 44.5439 +2.11e+07 D33.CB,HB1|HB2; D33.HA 1601 48 1.5414 0.7046 44.5287 +6.89e+07 L49.CD1,HD1#; L49.HG 1655 48 -0.0460 0.8332 44.4995 +2.90e+07 L61.CD2,HD2#; V7.HG1# 1660 48 3.4667 0.8353 44.4765 +2.89e+07 L61.CD2,HD2#; V36.HA 1797 48 2.3654 1.8762 44.4594 +1.41e+07 P95.CG,HG2; P95.HB1 706 48 1.5597 0.8388 44.4475 +1.43e+08 L61.CD2,HD2#; L61.HG 1658 48 2.0418 0.8396 44.4455 +6.91e+07 L61.CD2,HD2#; L49.HB1 701 48 4.0309 0.8383 44.4415 +1.05e+08 L61.CD2,HD2#; L61.HA 1659 48 3.3331 0.8430 44.4387 +4.16e+07 L61.CD2,HD2#; V58.HA 1654 48 0.2456 0.8398 44.4367 +1.18e+08 L61.CD2,HD2#; V58.HG2# 1701 49 0.8224 0.6688 44.3589 +3.18e+08 L74.CD1,HD1#; V47.HG2# 816 49 5.3786 0.6645 44.3458 +3.37e+07 L74.CD1,HD1#; A46.HA 1656 49 0.9912 0.8395 44.3403 +1.75e+08 L61.CD2,HD2#; V36.HG2# 1696 49 4.6548 0.6641 44.3382 +3.35e+07 L74.CD1,HD1#; I45.HA 818 49 3.8736 0.6560 44.3319 +1.73e+07 L74.CD1,HD1#; T43.HA 1698 49 1.7347 0.6646 44.3234 +6.28e+07 L74.CD1,HD1#; P44.HB2 814 49 4.4664 0.6630 44.3028 +1.09e+08 L74.CD1,HD1#; L74.HA 1700 49 1.0086 0.6653 44.2983 +7.69e+07 L74.CD1,HD1#; A46.HB# 1697 49 2.1852 0.6667 44.2907 +2.01e+07 L74.CD1,HD1#; P44.HB1 821 49 1.1920 0.6653 44.2895 +1.05e+08 L74.CD1,HD1#; L74.HG 1467 49 1.1682 0.9362 44.2426 +2.11e+07 V28.CG2,HG2#; L21.HB2 1468 50 5.0627 0.9236 44.1745 +3.18e+07 V28.CG2,HG2#; V28.HA 295 50 1.9960 0.9260 44.1084 +9.40e+07 V28.CG2,HG2#; V28.HB 1465 50 0.5898 0.9250 44.0964 +7.31e+07 V28.CG2,HG2#; I4.HG2# 1469 50 3.8959 0.9307 44.0830 +4.12e+07 V28.CG2,HG2#; C18.HA 1464 51 0.4168 0.9245 44.0191 +2.09e+07 V28.CG2,HG2#; I17.HD1# 1466 51 0.7203 0.9235 44.0127 +1.50e+08 V28.CG2,HG2#; I17.HG2# 1317 51 5.1469 0.7273 44.0096 +1.97e+07 L6.CD2,HD2#; L6.HA 1375 51 3.3822 0.7423 43.9678 +1.62e+07 L6.CD2,HD2#; S8.HB2 66 51 1.2225 0.7385 43.9674 +4.15e+07 L6.CD2,HD2#; L6.HG 726 51 0.2518 0.7399 43.9550 +1.16e+08 L6.CD2,HD2#; L6.HD1# 332 51 4.7972 0.8079 43.9284 +6.39e+07 L31.CD1,HD1#; L31.HA 68 51 0.4119 0.7417 43.9238 +5.15e+07 L6.CD2,HD2#; I17.HD1# 1463 52 0.1492 0.9168 43.8702 +3.91e+07 V28.CG2,HG2#; I4.HD1# 1909 52 3.6307 0.8735 43.8312 +8.43e+07 L102.CD2,HD2#; L102.HA 1127 52 0.0150 0.8716 43.8231 +5.04e+07 L102.CD2,HD2#; V105.HG1# 1126 52 3.6307 0.8735 43.7554 +8.43e+07 L102.CD2,HD2#; L102.HA 1248 53 4.4078 0.8884 43.7279 +4.14e+08 L112.CD1,HD1#; L112.HA 748 53 3.9665 0.7644 43.6951 +1.00e+08 L65.CD1,HD1#; L65.HA 1250 53 2.9834 0.8831 43.6686 +3.04e+07 L112.CD1,HD1#; K75.HE2 1795 54 0.4273 0.8411 43.5745 +1.11e+08 L94.CD2,HD2#; I96.HG2# 1047 54 4.3084 0.8335 43.5708 +1.16e+08 L94.CD2,HD2#; L94.HA 1667 54 3.8147 0.7002 43.5674 +2.90e+07 V62.CG2,HG2#; Q59.HA 714 54 3.2510 0.7039 43.5645 +6.38e+07 V62.CG2,HG2#; V62.HA 1794 54 0.2186 0.8341 43.5627 +1.12e+08 L94.CD2,HD2#; I96.HD1# 1669 54 0.4662 0.7049 43.5618 +6.92e+07 V62.CG2,HG2#; V88.HG1# 719 54 2.0642 0.7063 43.5603 +8.60e+07 V62.CG2,HG2#; V62.HB 1670 54 -0.0857 0.7034 43.5515 +8.42e+07 V62.CG2,HG2#; V58.HG1# 1793 54 1.0491 0.8319 43.5505 +1.64e+08 L94.CD2,HD2#; I96.HG11|HG12 1868 55 1.9629 0.7753 43.3610 +1.20e+08 L109.CD2,HD2#; L109.HG 1870 55 1.0246 0.7759 43.3161 +2.47e+08 L109.CD2,HD2#; I45.HD1# 1223 56 4.3776 0.7762 43.2747 +1.33e+08 L109.CD2,HD2#; L109.HA 1867 56 2.9724 0.7719 43.2697 +2.34e+07 L109.CD2,HD2#; K75.HE2 1872 56 0.3162 0.7754 43.2655 +1.03e+08 L109.CD2,HD2#; V105.HG2# 1866 56 3.7594 0.7748 43.2583 +1.85e+07 L109.CD2,HD2#; T106.HA 1871 56 0.1468 0.7770 43.2441 +5.89e+07 L109.CD2,HD2#; I4.HD1# 150 56 4.1012 0.8637 43.2286 +2.07e+08 L16.CD1,HD1#; L16.HA 1676 56 4.3776 0.7762 43.2062 +1.33e+08 L109.CD2,HD2#; L109.HA 152 56 1.3449 0.8637 43.1988 +1.26e+08 L16.CD1,HD1#; L16.HG 1031 57 3.7978 4.5724 43.1077 +1.08e+07 P93.CA,HA; P93.HD1|HD2 156 57 0.2226 0.8704 43.1005 +5.93e+07 L16.CD1,HD1#; I96.HD1# 463 57 4.1047 1.9945 43.0911 +1.02e+07 L42.CB,HB1; L42.HA 1034 57 1.8780 4.5922 43.0337 +3.28e+07 P93.CA,HA; P93.HB2 540 57 1.7565 0.8549 43.0201 +1.69e+08 V47.CG1,HG1#; V47.HB 1032 57 2.2988 4.5856 42.9983 +4.08e+07 P93.CA,HA; P93.HB1 1533 57 1.7152 0.7735 42.9827 +1.94e+08 L40.CD1,HD1#; L40.HG 1510 58 2.2635 0.9884 42.9656 +4.61e+07 V36.CG2,HG2#; E60.HG2 538 58 5.0328 0.8513 42.9565 +3.13e+07 V47.CG1,HG1#; V47.HA 1033 58 2.0341 4.5867 42.9490 +2.72e+07 P93.CA,HA; P93.HG1|HG2 1531 58 3.9340 0.7725 42.9471 +1.93e+08 L40.CD1,HD1#; L40.HA 378 58 3.4894 0.9896 42.9308 +1.29e+08 V36.CG2,HG2#; V36.HA 1511 58 1.6975 0.9903 42.9299 +7.11e+07 V36.CG2,HG2#; L39.HG 1459 58 2.7146 0.9868 42.9175 +4.47e+07 V28.CG1,HG1#; W30.HB2 1518 58 0.7743 1.8544 42.9161 +4.48e+07 L39.CB,HB1; L39.HD1# 1508 58 2.4279 0.9867 42.9113 +3.07e+07 V36.CG2,HG2#; Q64.HG2 1687 58 2.1524 3.1468 42.9005 +1.18e+07 R68.CD,HD1|HD2; Q67.HB1|HB2 774 58 0.7994 3.1554 42.8945 +2.50e+07 R68.CD,HD1|HD2; L40.HD2# 1576 58 5.4013 0.8534 42.8931 +1.34e+07 V47.CG1,HG1#; V5.HA 1786 58 0.8468 4.5982 42.8927 +1.09e+07 P93.CA,HA; L94.HD2# 773 58 1.7170 3.1534 42.8885 +4.43e+07 R68.CD,HD1|HD2; R68.HG1|HG2 394 58 2.0359 0.9890 42.8873 +3.35e+08 V36.CG2,HG2#; V36.HB 1389 58 0.7344 3.3777 42.8707 +1.59e+07 S14.CA,HA; I17.HG2# 1532 58 3.1489 0.7728 42.8604 +4.00e+07 L40.CD1,HD1#; R68.HD1|HD2 1517 58 0.8002 1.4693 42.8590 +3.22e+07 L39.CB,HB2; L39.HD1# 1512 58 1.5428 0.9877 42.8579 +7.22e+07 V28.CG1,HG1#; I4.HB 185 58 4.4062 4.0879 42.8554 +1.26e+07 S19.CB,HB1|HB2; S19.HA 388 58 3.1427 0.9730 42.8531 +2.67e+07 V28.CG1,HG1#; C18.HB1 1390 59 0.4130 3.3819 42.8065 +1.04e+07 S14.CA,HA; I17.HD1# 1458 59 3.9293 0.9853 42.7992 +7.22e+07 V28.CG1,HG1#; C18.HA 1850 59 0.4559 0.0085 42.7926 +1.48e+08 V105.CG1,HG1#; I92.HD1# 471 59 4.1037 0.7517 42.7924 +1.12e+08 L42.CD2,HD2#; L42.HA 1846 59 1.0216 0.0086 42.7916 +4.26e+07 V105.CG1,HG1#; A46.HB# 1848 59 0.7140 0.0079 42.7858 +1.82e+08 V105.CG1,HG1#; L21.HD2# 1847 59 0.8504 0.0085 42.7812 +6.75e+07 V105.CG1,HG1#; L48.HD2# 1162 59 1.5599 0.0087 42.7773 +1.19e+08 V105.CG1,HG1#; V105.HB 1159 59 3.2322 0.0089 42.7772 +1.09e+08 V105.CG1,HG1#; V105.HA 771 59 4.5024 3.1446 42.7758 +1.36e+07 R68.CD,HD1|HD2; R68.HA 1849 59 0.5821 0.0096 42.7620 +6.77e+07 V105.CG1,HG1#; I4.HG2# 1388 59 1.0550 3.3767 42.7614 +1.21e+07 S14.CA,HA; T13.HG2# 1165 59 1.2271 0.0096 42.7611 +2.02e+07 V105.CG1,HG1#; T106.HG2# 1245 59 4.4073 1.6565 42.7566 +9.28e+07 L112.CB,HB1|HB2; L112.HA 1246 59 0.9466 1.6545 42.7545 +1.07e+08 L112.CB,HB1|HB2; L112.HD2# 1461 59 0.1400 0.9759 42.7242 +2.93e+07 V28.CG1,HG1#; I4.HD1# 1161 59 4.2277 0.0032 42.7229 +1.58e+07 V105.CG1,HG1#; T106.HB 1844 59 1.8823 0.0135 42.7178 +1.59e+07 V105.CG1,HG1#; Q104.HB2 1901 59 3.0476 0.7506 42.7023 +2.26e+07 L42.CD2,HD2#; R3.HD2 285 59 5.0851 0.9847 42.6981 +4.76e+07 V28.CG1,HG1#; V28.HA 658 60 1.1852 0.2372 42.6551 +1.78e+08 V58.CG2,HG2#; V58.HB 524 60 5.3809 1.0290 42.6548 +7.07e+07 A46.CB,HB#; A46.HA 1642 60 0.6378 0.2357 42.6533 +1.65e+08 V58.CG2,HG2#; I78.HD1# 1231 60 1.2987 4.3740 42.6373 +2.12e+08 T110.CA,HA; T110.HG2# 531 60 1.3146 1.0236 42.6260 +3.67e+07 V5.CG1,HG1#; I29.HG11 1160 60 3.6354 0.0036 42.6198 +2.25e+07 V105.CG1,HG1#; L102.HA 525 60 4.6630 1.0233 42.6197 +1.76e+07 A46.CB,HB#; I4.HA 652 60 3.3177 0.2364 42.6120 +1.08e+08 V58.CG2,HG2#; V58.HA 665 60 3.1535 0.2391 42.6014 +2.67e+07 V58.CG2,HG2#; F53.HB1 1572 60 0.1390 1.0309 42.5977 +7.78e+07 A46.CB,HB#; I4.HD1# 533 60 1.1829 1.0336 42.5738 +1.86e+07 A46.CB,HB#; I45.HG2# 1639 60 2.9661 0.2339 42.5730 +1.93e+07 V58.CG2,HG2#; F53.HB2 484 60 1.0164 4.5644 42.5526 +1.20e+07 P44.CA,HA; A46.HB# 51 60 1.8290 0.9926 42.5160 +9.22e+07 V5.CG1,HG1#; V5.HB 1640 61 1.6046 0.2320 42.4694 +3.61e+07 V58.CG2,HG2#; L49.HB2 55 61 1.8333 0.9886 42.4652 +9.44e+07 V5.CG2,HG2#; V5.HB 52 61 5.4098 0.9876 42.4105 +4.21e+07 V5.CG2,HG2#; V5.HA 966 62 2.6858 0.7269 42.2811 +2.33e+07 V88.CG2,HG2#; Y85.HB2 965 62 2.9043 0.7173 42.2321 +1.69e+07 V88.CG2,HG2#; Y85.HB1 967 62 1.9079 0.7262 42.2117 +1.05e+08 V88.CG2,HG2#; V88.HB 964 63 3.7920 0.7262 42.1806 +6.54e+07 V88.CG2,HG2#; V88.HA 1765 63 1.6371 0.7261 42.1581 +1.88e+07 V88.CG2,HG2#; I76.HB 1365 63 1.7254 0.9734 42.1546 +7.70e+07 V5.CG2,HG2#; P44.HB2 1759 63 4.6158 0.4486 42.1545 +1.98e+07 V88.CG1,HG1#; I76.HA 1761 63 1.5959 0.4556 42.1323 +1.90e+07 V88.CG1,HG1#; L49.HB2 1758 63 5.6904 0.4560 42.1165 +1.40e+07 V88.CG1,HG1#; F77.HA 970 63 -0.0971 0.7189 42.1057 +2.06e+07 V88.CG2,HG2#; V58.HG1# 1762 63 0.9236 0.4569 42.0910 +3.39e+07 V88.CG1,HG1#; V62.HG1# 951 63 3.7923 0.4536 42.0842 +5.37e+07 V88.CG1,HG1#; V88.HA 955 63 1.9095 0.4510 42.0840 +1.15e+08 V88.CG1,HG1#; V88.HB 1385 63 0.8270 1.0363 42.0784 +2.12e+08 T13.CG2,HG2#; L79.HD1#|HD2# 956 63 1.7441 0.4524 42.0767 +3.07e+07 V88.CG1,HG1#; I78.HB 958 63 1.3192 0.4519 42.0422 +5.37e+07 V88.CG1,HG1#; I78.HG11 946 63 0.4571 3.7946 42.0401 +2.90e+07 V88.CA,HA; V88.HG1# 184 64 4.0639 4.4109 42.0343 +4.01e+07 S19.CA,HA; S19.HB1|HB2 131 64 3.3408 1.0416 42.0330 +1.53e+07 T13.CG2,HG2#; S14.HA 1384 64 3.7086 1.0395 42.0227 +2.87e+08 T13.CG2,HG2#; T13.HB 1386 64 0.4106 1.0398 42.0181 +1.55e+08 T13.CG2,HG2#; I17.HD1# 1764 64 -0.0929 0.4450 42.0170 +1.63e+07 V88.CG1,HG1#; V58.HG1# 1387 64 0.2204 1.0385 42.0115 +1.14e+08 T13.CG2,HG2#; I96.HD1# 1760 64 2.6832 0.4515 42.0025 +1.34e+07 V88.CG1,HG1#; Y85.HB2 1757 64 1.6497 3.7849 42.0016 +1.08e+07 V88.CA,HA; I76.HB 947 64 0.7157 3.7954 41.9932 +5.78e+07 V88.CA,HA; V88.HG2# 487 64 1.1797 4.6701 41.9689 +7.05e+07 I45.CA,HA; I45.HG2# 1104 64 2.9399 4.2683 41.9570 +2.17e+07 F101.CA,HA; F101.HB2 488 64 1.0341 4.6695 41.9545 +2.15e+07 I45.CA,HA; I45.HD1# 1825 64 1.6083 4.2706 41.9510 +1.46e+07 F101.CA,HA; L79.HG 1824 64 1.0530 4.2658 41.9351 +1.45e+07 F101.CA,HA; I92.HG2# 489 64 1.3809 4.6560 41.9344 +1.30e+07 I45.CA,HA; I45.HG11|HG12 1432 64 1.5514 0.5690 41.9283 +2.05e+07 L21.CD1,HD1#; V105.HB 1437 64 0.1378 0.5756 41.9198 +6.29e+07 L21.CD1,HD1#; I4.HD1# 485 64 2.1273 4.6711 41.9156 +4.08e+07 I45.CA,HA; I45.HB 1433 64 1.0907 0.5733 41.9092 +5.17e+07 L21.CD1,HD1#; I20.HG2# 1555 64 4.5211 4.6687 41.9070 +1.11e+07 I45.CA,HA; P44.HA 1430 64 1.9329 0.5767 41.8983 +4.81e+07 L21.CD1,HD1#; L21.HG 1436 64 0.3226 0.5736 41.8983 +7.78e+07 L21.CD1,HD1#; V105.HG2# 217 64 4.2356 0.5756 41.8962 +6.22e+07 L21.CD1,HD1#; L21.HA 943 64 1.9179 3.7799 41.8937 +1.04e+07 V88.CA,HA; V88.HB 1435 65 0.8845 0.5763 41.8777 +1.18e+08 L21.CD1,HD1#; I4.HG11 1826 65 0.4365 4.2691 41.8647 +2.88e+07 F101.CA,HA; I92.HD1# 251 65 4.0231 1.3090 41.8628 +1.94e+08 T23.CG2,HG2#; T23.HA 1438 65 0.0077 0.5768 41.8584 +5.54e+07 L21.CD1,HD1#; V105.HG1# 2010 65 1.5176 4.4148 41.8518 +2.18e+07 P95.CA,HA; L94.HG 1103 65 3.4152 4.2783 41.8350 +1.52e+07 F101.CA,HA; F101.HB1 349 65 4.5175 0.7253 41.8332 +9.48e+07 V32.CG2,HG2#; V32.HA 793 65 3.8934 1.3498 41.8310 +4.89e+07 T70.CG2,HG2#; P71.HD1|HD2 693 65 4.0567 1.7021 41.8307 +1.24e+07 L61.CB,HB1; L61.HA 1951 65 0.6555 4.6765 41.8120 +1.79e+07 I45.CA,HA; L74.HD1# 352 65 2.3627 0.7255 41.8118 +1.48e+08 V32.CG2,HG2#; V32.HB 1491 65 4.8878 0.7256 41.7854 +4.06e+07 V32.CG2,HG2#; E9.HA 794 65 2.3482 1.3525 41.7752 +2.99e+07 T70.CG2,HG2#; E72.HG2 1666 66 -0.0952 0.9186 41.7210 +2.02e+07 V62.CG1,HG1#; V58.HG1# 1049 66 0.8431 4.4190 41.7013 +3.15e+07 P95.CA,HA; L94.HD2# 1665 66 0.4634 0.9209 41.6906 +4.10e+07 V62.CG1,HG1#; V88.HG1# 1611 66 3.8742 1.4658 41.6903 +2.86e+07 A50.CB,HB#; S8.HB1 1609 66 0.4183 1.4658 41.6868 +1.94e+07 A50.CB,HB#; I96.HG2# 1664 66 1.7917 0.9211 41.6853 +1.94e+07 V62.CG1,HG1#; R66.HB2 607 66 5.3424 1.4654 41.6796 +8.29e+07 A50.CB,HB#; A50.HA 713 66 3.2509 0.9179 41.6796 +5.77e+07 V62.CG1,HG1#; V62.HA 1662 66 4.0762 0.9225 41.6711 +2.24e+07 V62.CG1,HG1#; G87.HA1 718 66 2.0727 0.9164 41.6706 +8.24e+07 V62.CG1,HG1#; V62.HB 1663 66 3.7863 0.9193 41.6695 +3.79e+07 V62.CG1,HG1#; V88.HA 616 66 0.8411 1.4675 41.6623 +1.87e+08 A50.CB,HB#; L79.HD1#|HD2# 608 66 4.7780 1.4639 41.6608 +4.09e+07 A50.CB,HB#; S8.HA 1608 66 0.2380 1.4667 41.6570 +4.07e+07 A50.CB,HB#; L6.HD1# 144 66 3.4918 1.2301 41.6392 +1.14e+08 T15.CG2,HG2#; T15.HA 1610 66 3.3844 1.4626 41.6378 +3.04e+07 A50.CB,HB#; S8.HB2 1195 66 3.7676 1.2413 41.6112 +1.66e+08 T106.CG2,HG2#; T106.HA 548 66 1.7471 0.8175 41.5985 +1.14e+08 V47.CG2,HG2#; V47.HB 1582 66 0.9789 0.8196 41.5954 +7.63e+07 V47.CG2,HG2#; V5.HG2# 1580 66 1.5807 0.8168 41.5934 +4.69e+07 V47.CG2,HG2#; P44.HG2 543 66 5.0265 0.8165 41.5816 +3.69e+07 V47.CG2,HG2#; V47.HA 1581 66 1.5119 0.8123 41.5681 +4.93e+07 V47.CG2,HG2#; L49.HG 545 67 4.5930 0.8217 41.5322 +1.40e+07 V47.CG2,HG2#; I76.HA 1256 67 1.2377 4.3856 41.5281 +8.92e+07 T114.CA,HA; T114.HG2# 145 67 4.1488 1.2353 41.5256 +2.95e+08 T15.CG2,HG2#; T15.HB 1196 67 4.2393 1.2412 41.5151 +4.33e+08 T106.CG2,HG2#; T106.HB 1873 67 4.3508 1.3010 41.4542 +9.17e+08 T110.CG2,HG2#; T110.HB 1332 68 0.9495 5.0900 41.3962 +3.31e+07 V28.CA,HA; V28.HG2# 12 69 0.7188 1.5269 41.2049 +1.92e+07 I4.CB,HB; L48.HD1# 481 69 4.4168 1.2136 41.1865 +4.88e+08 T43.CG2,HG2#; T43.HB 85 69 3.3633 0.6638 41.1806 +1.28e+07 V7.CG2,HG2#; G34.HA2 480 69 3.8844 1.2149 41.1667 +1.76e+08 T43.CG2,HG2#; T43.HA 11 69 0.5966 1.5299 41.1199 +3.33e+07 I4.CB,HB; I4.HG2# 78 69 5.0733 0.6459 41.1083 +4.41e+07 V7.CG2,HG2#; V7.HA 93 70 0.7988 0.6447 41.0967 +2.44e+08 V7.CG2,HG2#; L39.HD1# 92 70 0.9763 0.6448 41.0960 +7.86e+07 V7.CG2,HG2#; V5.HG1# 1310 70 0.9332 1.5207 41.0916 +2.59e+07 I4.CB,HB; I4.HG11 87 70 1.9167 0.6453 41.0821 +4.10e+07 V7.CG2,HG2#; V7.HB 88 70 1.7288 0.6441 41.0618 +4.20e+07 V7.CG2,HG2#; L31.HB2 10 70 0.1380 1.5233 41.0509 +1.75e+07 I4.CB,HB; I4.HD1# 96 70 0.2634 0.6465 41.0402 +1.75e+07 V7.CG2,HG2#; L6.HD1# 1504 70 1.7163 0.8662 40.9512 +8.21e+07 V36.CG1,HG1#; R68.HG1|HG2 1503 70 2.2888 0.8681 40.9502 +8.80e+07 V36.CG1,HG1#; Q64.HB1 1501 71 3.1451 0.8658 40.9319 +5.90e+07 V36.CG1,HG1#; R68.HD1|HD2 1318 71 -0.0081 5.0765 40.9282 +2.42e+07 V7.CA,HA; V7.HG1# 395 71 2.0433 0.8674 40.9253 +2.90e+08 V36.CG1,HG1#; V36.HB 237 71 4.2802 1.1477 40.9141 +1.11e+08 T22.CG2,HG2#; T22.HB 379 71 3.4883 0.8673 40.9121 +8.85e+07 V36.CG1,HG1#; V36.HA 1500 71 3.9496 0.8686 40.8970 +9.60e+07 V36.CG1,HG1#; E37.HA 238 71 4.6977 1.1464 40.8874 +8.89e+07 T22.CG2,HG2#; T22.HA 1499 71 4.3094 0.8669 40.8869 +1.96e+07 V36.CG1,HG1#; E35.HA 1502 71 2.4544 0.8703 40.8814 +3.33e+07 V36.CG1,HG1#; Q64.HG2 239 71 4.0270 1.1466 40.8361 +2.51e+07 T22.CG2,HG2#; T23.HA 1879 71 0.7117 4.6049 40.8320 +2.63e+07 I76.CA,HA; I76.HG2# 478 72 1.2120 3.8758 40.7818 +7.26e+07 T43.CA,HA; T43.HG2# 1319 72 0.6521 5.0736 40.7784 +2.16e+07 V7.CA,HA; V7.HG2# 474 72 4.4212 3.8786 40.7597 +5.86e+07 T43.CA,HA; T43.HB 1693 72 1.9106 4.8346 40.6609 +1.17e+07 T70.CA,HA; P71.HG1 1018 72 0.4576 1.8632 40.6401 +1.60e+07 I92.CB,HB; I92.HD1# 1025 72 1.0501 1.8678 40.6383 +2.36e+07 I92.CB,HB; I92.HG2# 1553 72 3.4546 3.8817 40.6316 +1.37e+07 T43.CA,HA; P44.HD2 1274 73 0.7380 4.5188 40.6266 +7.16e+07 V32.CA,HA; V32.HG2# 338 73 2.3575 4.5216 40.5961 +4.73e+07 V32.CA,HA; V32.HB 788 73 1.3547 4.8338 40.5423 +5.16e+07 T70.CA,HA; T70.HG2# 110 74 2.4935 4.1504 40.4121 +2.15e+07 E11.CA,HA; E11.HG1 111 74 2.2470 4.1519 40.4077 +4.17e+07 E11.CA,HA; E11.HB1|HB2 1179 74 1.0129 0.3149 40.3944 +3.42e+07 V105.CG2,HG2#; A46.HB# 1799 74 0.8410 4.0639 40.3737 +2.08e+07 I96.CA,HA; L94.HD2# 1175 74 1.9576 0.3187 40.3341 +2.71e+07 V105.CG2,HG2#; L109.HG 86 75 1.9216 -0.0051 40.3024 +3.88e+07 V7.CG1,HG1#; V7.HB 1176 75 1.5601 0.3165 40.3023 +1.10e+08 V105.CG2,HG2#; V105.HB 1055 75 0.4192 4.0517 40.3022 +6.22e+07 I96.CA,HA; I96.HG2# 1852 75 0.5771 0.3188 40.2991 +6.93e+07 V105.CG2,HG2#; L21.HD1# 1898 75 1.7254 -0.0073 40.2985 +1.58e+07 V7.CG1,HG1#; L31.HB2 787 75 3.8913 4.8365 40.2942 +1.49e+07 T70.CA,HA; P71.HD1|HD2 1180 75 0.7262 0.3156 40.2921 +1.89e+08 V105.CG2,HG2#; L48.HD1# 834 75 3.7859 1.6313 40.2904 +1.65e+07 I76.CB,HB; V88.HA 1053 75 1.0605 4.0564 40.2903 +2.63e+07 I96.CA,HA; I96.HG11|HG12 1177 75 1.2448 0.3172 40.2897 +4.66e+07 V105.CG2,HG2#; T106.HG2# 1173 75 3.7594 0.3210 40.2854 +2.57e+07 V105.CG2,HG2#; T106.HA 1333 75 0.9007 5.1343 40.2844 +3.00e+07 I29.CA,HA; I29.HD1# 1183 75 0.1437 0.3169 40.2823 +8.05e+07 V105.CG2,HG2#; I4.HD1# 1051 75 1.6614 4.0473 40.2805 +3.12e+07 I96.CA,HA; I96.HB 79 75 5.0702 -0.0080 40.2791 +4.60e+07 V7.CG1,HG1#; V7.HA 1172 75 3.6177 0.3102 40.2695 +1.92e+07 V105.CG2,HG2#; L102.HA 1171 75 3.2307 0.3168 40.2637 +8.01e+07 V105.CG2,HG2#; V105.HA 1381 75 0.7779 -0.0051 40.2559 +1.07e+08 V7.CG1,HG1#; L39.HD2# 1895 75 4.8817 -0.0092 40.2530 +1.28e+07 V7.CG1,HG1#; L49.HA 1182 75 0.8712 0.3200 40.2482 +3.91e+07 V105.CG2,HG2#; L48.HD2# 1897 75 3.9811 -0.0080 40.2431 +1.71e+07 V7.CG1,HG1#; G34.HA1 1380 75 0.2533 -0.0106 40.2426 +6.50e+07 V7.CG1,HG1#; L6.HD1# 84 75 3.3826 -0.0065 40.2287 +1.68e+07 V7.CG1,HG1#; G34.HA2 1378 75 4.5272 -0.0109 40.2239 +1.32e+07 V7.CG1,HG1#; V32.HA 1896 75 4.7378 -0.0042 40.2160 +1.66e+07 V7.CG1,HG1#; S8.HA 1446 76 3.7392 1.6948 40.1023 +1.56e+07 A24.CB,HB#; I20.HA 1636 76 2.0673 -0.0922 40.0833 +2.77e+07 V58.CG1,HG1#; V62.HB 1633 76 3.7861 -0.0918 40.0693 +3.16e+07 V58.CG1,HG1#; Q59.HA 659 76 1.1907 -0.0915 40.0540 +1.86e+08 V58.CG1,HG1#; V58.HB 1637 76 1.5971 -0.0805 40.0332 +3.07e+07 V58.CG1,HG1#; L49.HB2 1444 76 4.2468 1.6946 40.0227 +4.54e+07 A24.CB,HB#; L21.HA 653 76 3.3203 -0.0905 40.0067 +8.00e+07 V58.CG1,HG1#; V58.HA 1638 77 0.6594 -0.0897 39.9937 +2.57e+08 V58.CG1,HG1#; I78.HD1# 1450 77 0.7174 1.6926 39.9911 +2.62e+07 A24.CB,HB#; L21.HD2# 257 77 4.4080 1.6959 39.9904 +2.10e+08 A24.CB,HB#; A24.HA 1449 77 0.8905 1.6943 39.9802 +1.90e+08 A24.CB,HB#; L102.HD2# 1451 77 0.5738 1.6937 39.9706 +5.11e+07 A24.CB,HB#; L21.HD1# 1448 77 1.0929 1.7001 39.9669 +3.18e+07 A24.CB,HB#; I20.HG2# 1892 77 4.9027 0.7551 39.9546 +1.56e+07 V32.CG1,HG1#; E9.HA 269 77 0.9648 1.6949 39.9250 +1.81e+08 A24.CB,HB#; L102.HD1# 663 77 2.9117 -0.0822 39.9192 +1.62e+07 V58.CG1,HG1#; Y85.HB1 344 77 4.5216 0.7678 39.8919 +4.29e+07 V32.CG1,HG1#; V32.HA 346 77 2.3561 0.7708 39.8626 +1.35e+08 V32.CG1,HG1#; V32.HB 1935 77 4.7767 0.7649 39.8600 +1.65e+07 V32.CG1,HG1#; L31.HA 1312 78 0.9862 5.4063 39.8264 +2.50e+07 V5.CA,HA; V5.HG2# 1052 78 2.0652 4.1598 39.7687 +1.50e+08 E99.CA,HA; E99.HB1 1940 78 1.7106 3.9417 39.7666 +1.64e+07 E37.CA,HA; L40.HG 319 78 1.5402 0.8849 39.7665 +3.57e+07 I29.CG2,HG2#; I29.HG12 1513 78 0.8206 3.9358 39.7612 +4.50e+07 E37.CA,HA; L40.HD2# 1876 78 1.7288 0.8857 39.7590 +2.02e+07 I29.CG2,HG2#; L31.HG 1094 78 2.3393 4.1602 39.7580 +1.15e+08 E99.CA,HA; E99.HG1|HG2 403 78 1.9962 3.9357 39.7547 +6.77e+07 E37.CA,HA; E37.HB1 1100 78 4.1092 4.5869 39.7533 +7.33e+07 S100.CA,HA; S100.HB1 316 78 5.1250 0.8864 39.7494 +3.49e+07 I29.CG2,HG2#; I29.HA 320 78 1.3208 0.8865 39.7472 +3.64e+07 I29.CG2,HG2#; I29.HG11 1364 78 0.8596 5.4131 39.7467 +1.11e+07 V5.CA,HA; L31.HD2# 321 78 1.9036 0.8822 39.7337 +3.95e+07 I29.CG2,HG2#; I29.HB 1822 78 2.1887 4.5912 39.7287 +3.70e+07 S100.CA,HA; Q103.HB1|HB2 1099 78 3.9330 4.5918 39.7186 +7.77e+07 S100.CA,HA; S100.HB2 1931 78 4.7864 0.8810 39.7162 +1.21e+07 I29.CG2,HG2#; L31.HA 1145 78 2.2567 3.9374 39.7137 +5.08e+07 E37.CA,HA; E37.HG1 416 79 1.8276 3.7343 39.6746 +2.61e+07 L39.CA,HA; L39.HB1 417 79 1.6971 3.7347 39.6702 +2.70e+07 L39.CA,HA; L39.HG 1821 79 2.3959 4.6008 39.6534 +2.00e+07 S100.CA,HA; Q103.HG1 420 79 0.7816 3.7317 39.6493 +4.82e+07 L39.CA,HA; L39.HD1# 419 79 0.9496 3.7282 39.6182 +2.33e+07 L39.CA,HA; V5.HG2# 6 79 0.8485 4.6785 39.6102 +1.08e+07 I4.CA,HA; V47.HG1# 1926 79 1.5478 1.8896 39.5797 +1.04e+07 I29.CB,HB; I29.HG12 1335 79 0.8306 5.0230 39.5506 +2.31e+07 V47.CA,HA; V47.HG2# 1282 80 1.4468 3.7349 39.5036 +3.08e+07 L39.CA,HA; L39.HB2 1111 80 3.9136 3.3940 39.4553 +1.46e+07 F101.CB,HB1; S100.HB2 1308 81 0.5856 4.6703 39.3669 +1.98e+07 I4.CA,HA; I4.HG2# 5 81 0.9772 4.6807 39.3669 +1.13e+07 I4.CA,HA; V5.HG2# 1309 81 0.1191 4.6769 39.3542 +1.09e+07 I4.CA,HA; I4.HD1# 682 81 2.0832 4.1021 39.3541 +7.92e+07 E60.CA,HA; E60.HB1|HB2 1673 81 0.8581 3.9573 39.3477 +3.00e+07 Q64.CA,HA; V36.HG1# 1254 81 4.4159 1.4344 39.3465 +4.89e+08 A113.CB,HB#; A113.HA 683 81 2.3781 4.1038 39.3410 +4.80e+07 E60.CA,HA; E60.HG1 1645 81 2.9048 4.1015 39.3186 +2.64e+07 E60.CA,HA; D63.HB1 737 81 2.0649 3.9556 39.3101 +4.65e+07 Q64.CA,HA; Q64.HB2 681 81 2.2657 4.0988 39.2791 +4.28e+07 E60.CA,HA; E60.HG2 1839 81 2.0728 3.8878 39.2765 +3.70e+07 Q104.CA,HA; Q104.HB1 1834 81 4.2280 3.9884 39.2290 +3.86e+07 Q103.CA,HA; T106.HB 736 82 2.7107 3.9676 39.2038 +2.92e+07 Q64.CA,HA; Q64.HG1 1837 82 2.5973 3.8773 39.2036 +2.77e+07 Q104.CA,HA; Q104.HG1 1833 82 1.2490 3.9832 39.2025 +2.30e+07 Q103.CA,HA; T106.HG2# 1132 82 2.1875 3.9875 39.2002 +1.13e+08 Q103.CA,HA; Q103.HB1|HB2 411 82 1.6620 3.8763 39.1996 +1.65e+07 R38.CA,HA; R38.HB2 1646 82 2.5809 4.1041 39.1653 +1.64e+07 E60.CA,HA; D63.HB2 1941 82 1.4859 3.8734 39.1627 +4.32e+07 R38.CA,HA; A41.HB# 1838 82 2.4311 3.8914 39.1502 +3.92e+07 Q104.CA,HA; Q104.HG2 1840 82 1.8647 3.8763 39.1357 +2.97e+07 Q104.CA,HA; Q104.HB2 1721 83 0.6931 1.7537 39.0395 +2.29e+07 I20.CB,HB; I20.HD1# 1720 83 0.4762 1.7567 38.9125 +1.98e+07 I78.CB,HB; V88.HG1# 627 84 3.6992 4.3494 38.8899 +7.35e+07 S54.CA,HA; S54.HB2 628 84 4.0361 4.3516 38.8633 +7.72e+07 S54.CA,HA; S54.HB1 902 84 3.9181 4.4154 38.8018 +2.04e+08 S81.CA,HA; S81.HB1|HB2 1749 84 3.5801 4.4171 38.7767 +1.36e+07 S81.CA,HA; K82.HA 1718 85 1.2038 1.7548 38.7211 +3.02e+07 I78.CB,HB; I78.HG2# 802 85 2.2478 4.0479 38.6684 +8.28e+07 E72.CA,HA; E72.HG1 1556 85 0.7560 2.1435 38.6525 +1.81e+07 I45.CB,HB; L109.HD2# 803 85 1.9820 4.0473 38.6523 +8.00e+07 E72.CA,HA; E72.HB1 492 85 4.6735 2.1397 38.6240 +3.60e+07 I45.CB,HB; I45.HA 691 85 1.6947 4.0455 38.6167 +2.74e+07 L61.CA,HA; L61.HB1 927 85 4.8127 2.6661 38.6117 +2.24e+07 N84.CB,HB1; N84.HA 493 86 1.3844 2.1442 38.5783 +1.33e+07 I45.CB,HB; I45.HG11|HG12 495 86 1.0258 2.1327 38.5690 +4.56e+07 I45.CB,HB; I45.HD1# 494 86 1.1791 2.1367 38.5595 +1.07e+08 I45.CB,HB; I45.HG2# 500 86 3.9905 1.1778 38.5429 +3.85e+07 I45.CG2,HG2#; G2.HA2 1201 86 1.2889 4.2123 38.5419 +2.62e+07 M107.CA,HA; T110.HG2# 1647 86 0.9903 4.0499 38.5369 +1.90e+07 L61.CA,HA; V36.HG2# 928 86 4.8133 2.4679 38.5247 +3.45e+07 N84.CB,HB2; N84.HA 504 86 2.1300 1.1780 38.5198 +1.96e+08 I45.CG2,HG2#; I45.HB 1198 86 2.7288 4.2062 38.5184 +3.10e+07 M107.CA,HA; M107.HG1 497 86 4.6666 1.1797 38.5157 +1.89e+08 I45.CG2,HG2#; I45.HA 1200 86 2.0432 4.2025 38.5114 +5.18e+07 M107.CA,HA; M107.HB2 510 86 1.0323 1.1794 38.5075 +3.50e+08 I45.CG2,HG2#; I45.HD1# 1874 86 3.9397 4.4920 38.4991 +5.69e+08 S111.CA,HA; S111.HB2 1346 86 1.1927 5.0574 38.4943 +1.70e+07 I78.CA,HA; I78.HG2# 1567 86 0.7584 1.1777 38.4915 +7.02e+07 I45.CG2,HG2#; L109.HD2# 519 86 0.1342 1.1819 38.4681 +2.41e+07 I45.CG2,HG2#; I4.HD1# 1338 87 0.8366 4.0422 38.4305 +6.74e+07 L61.CA,HA; L61.HD2# 1199 87 2.5775 4.2088 38.4215 +4.68e+07 M107.CA,HA; M107.HG2 854 87 0.4791 5.0430 38.3973 +1.20e+07 I78.CA,HA; V88.HG1# 689 87 2.7220 4.0602 38.3685 +1.35e+07 L61.CA,HA; Q64.HG1 1345 87 0.6577 5.0446 38.3669 +1.97e+07 I78.CA,HA; I78.HD1# 126 87 1.0490 1.4913 38.3001 +3.54e+07 A12.CB,HB#; T13.HG2# 1341 87 0.7670 3.9726 38.2950 +7.00e+07 L65.CA,HA; L65.HD1# 1325 88 0.8589 4.1015 38.2021 +7.95e+07 L16.CA,HA; L16.HD1# 123 88 4.1110 1.4949 38.1600 +4.74e+08 A12.CB,HB#; A12.HA 1546 89 0.9067 1.4969 38.1275 +4.84e+07 A41.CB,HB#; L42.HD1# 1643 89 2.0741 3.8198 38.1163 +1.80e+07 Q59.CA,HA; V62.HB 1906 89 2.2516 1.4986 38.0888 +3.02e+07 A12.CB,HB#; E11.HB1|HB2 677 89 0.7170 3.8111 38.0556 +1.84e+07 Q59.CA,HA; V62.HG2# 1644 89 0.9033 3.8133 38.0366 +1.32e+07 Q59.CA,HA; V62.HG1# 988 89 1.3698 4.6274 38.0349 +1.19e+07 I92.CA,HA; I92.HG11 1422 89 1.5026 1.0913 38.0348 +5.54e+07 I20.CG2,HG2#; L102.HB2 1456 89 1.9910 4.6546 38.0319 +1.24e+07 Y26.CA,HA; Q27.HB1 206 89 2.1932 1.0944 38.0242 +1.59e+07 I20.CG2,HG2#; P98.HB1 211 89 0.4289 1.0922 38.0082 +9.24e+07 I20.CG2,HG2#; I17.HD1# 1420 89 4.2563 1.0929 38.0082 +2.05e+07 I20.CG2,HG2#; L21.HA 1425 89 0.8751 1.0916 38.0038 +1.27e+08 I20.CG2,HG2#; L102.HD2# 212 89 0.2269 1.0935 37.9953 +3.40e+07 I20.CG2,HG2#; I96.HD1# 202 89 3.7144 1.0921 37.9891 +8.06e+07 I20.CG2,HG2#; I20.HA 205 89 1.7512 1.0922 37.9880 +1.02e+08 I20.CG2,HG2#; I20.HB 210 89 0.7004 1.0925 37.9845 +1.86e+08 I20.CG2,HG2#; I20.HD1# 1542 90 3.7163 1.4959 37.9668 +2.89e+07 A12.CB,HB#; T13.HA 1923 90 0.1601 4.6409 37.9492 +1.23e+07 Y26.CA,HA; I4.HD1# 989 90 1.0360 4.6200 37.9463 +2.09e+07 I92.CA,HA; I92.HG2# 1112 90 1.8391 3.6207 37.9306 +1.90e+07 L102.CA,HA; L102.HB1 1541 90 3.8823 1.4830 37.9210 +7.26e+07 A41.CB,HB#; R38.HA 1945 90 0.7714 1.4889 37.9197 +6.24e+07 A41.CB,HB#; L42.HD2# 1829 90 0.0086 3.6458 37.8956 +1.47e+07 L102.CA,HA; V105.HG1# 1943 90 1.8770 1.4748 37.8956 +2.65e+07 A41.CB,HB#; R38.HB1 1114 90 0.8728 3.6342 37.8821 +4.94e+07 L102.CA,HA; L102.HD2# 757 90 2.4556 4.1541 37.8741 +5.55e+07 Q67.CA,HA; Q67.HG1 1421 90 3.9497 1.0902 37.8646 +1.83e+07 I20.CG2,HG2#; P98.HA 1830 90 0.4584 3.6400 37.8546 +1.21e+07 L102.CA,HA; I92.HD1# 2024 90 1.5633 3.6403 37.8161 +2.41e+07 L102.CA,HA; V105.HB 756 91 2.1568 4.1454 37.8091 +9.86e+07 Q67.CA,HA; Q67.HB1|HB2 272 91 2.9134 4.6310 37.7935 +1.69e+07 Y26.CA,HA; Y26.HB1 758 91 2.5905 4.1459 37.7626 +4.11e+07 Q67.CA,HA; Q67.HG2 169 91 3.3660 0.7287 37.7240 +1.59e+07 I17.CG2,HG2#; S14.HA 1057 91 4.0509 1.6692 37.7142 +2.73e+07 I96.CB,HB; I96.HA 1059 91 1.0577 1.6631 37.7119 +5.58e+07 I96.CB,HB; I96.HG11|HG12 166 91 3.1090 0.7293 37.7045 +3.62e+07 I17.CG2,HG2#; I17.HA 1427 91 1.7040 4.2474 37.7025 +1.84e+07 L21.CA,HA; A24.HB# 175 91 1.0447 0.7253 37.6990 +4.00e+07 I17.CG2,HG2#; T13.HG2# 1671 91 2.1414 4.2698 37.6962 +1.48e+07 D63.CA,HA; R66.HB1 178 91 0.2329 0.7284 37.6878 +1.06e+08 I17.CG2,HG2#; L6.HD1# 732 91 2.9185 4.2691 37.6856 +1.66e+07 D63.CA,HA; D63.HB1 173 91 1.5997 0.7269 37.6744 +5.76e+07 I17.CG2,HG2#; I17.HB 1713 91 0.4113 0.7285 37.6690 +1.40e+08 I17.CG2,HG2#; I17.HD1# 1404 92 1.9369 0.7252 37.6582 +1.83e+07 I17.CG2,HG2#; L21.HB1 1426 92 0.7139 4.2393 37.6480 +1.32e+07 L21.CA,HA; L21.HD2# 1672 92 0.9113 4.2677 37.6419 +1.79e+07 D63.CA,HA; V62.HG1# 1062 92 0.2197 1.6560 37.6308 +3.76e+07 I96.CB,HB; I96.HD1# 1061 92 0.4159 1.6621 37.6281 +1.13e+08 I96.CB,HB; I96.HG2# 733 92 2.5838 4.2760 37.6236 +2.73e+07 D63.CA,HA; D63.HB2 1813 92 3.4129 0.4189 37.6098 +2.33e+07 I96.CG2,HG2#; F101.HB1 1330 92 0.5742 4.2308 37.6084 +2.43e+07 L21.CA,HA; L21.HD1# 635 92 0.2438 3.2231 37.5876 +8.94e+06 Y55.CB,HB1; V58.HG2# 845 92 0.4441 0.6821 37.5812 +8.86e+07 I76.CG2,HG2#; V88.HG1# 1079 92 1.6635 0.4157 37.5740 +1.49e+08 I96.CG2,HG2#; I96.HB 1714 92 0.2293 0.6757 37.5665 +3.09e+07 I76.CG2,HG2#; V58.HG2# 1075 92 4.0512 0.4176 37.5663 +8.18e+07 I96.CG2,HG2#; I96.HA 1081 92 1.0586 0.4158 37.5634 +1.82e+08 I96.CG2,HG2#; I96.HG11|HG12 1807 92 0.8289 0.4139 37.5597 +1.69e+08 I96.CG2,HG2#; L94.HD2# 1710 92 3.7956 0.6765 37.5564 +3.88e+07 I76.CG2,HG2#; V88.HA 1086 92 0.2156 0.4164 37.5534 +2.00e+08 I96.CG2,HG2#; I96.HD1# 841 92 4.6196 0.6723 37.5506 +3.13e+07 I76.CG2,HG2#; I76.HA 1752 92 0.7341 4.6296 37.5322 +1.72e+07 Y85.CA,HA; V88.HG2# 1812 92 4.2855 0.4110 37.5302 +2.01e+07 I96.CG2,HG2#; L94.HA 1711 92 1.6316 0.6827 37.5270 +6.33e+07 I76.CG2,HG2#; I76.HB 1712 93 1.2760 0.6886 37.4835 +1.96e+07 I76.CG2,HG2#; I78.HG12 1260 93 3.3550 4.7835 37.4185 +1.31e+07 S8.CA,HA; S8.HB2 101 93 0.2514 4.7759 37.3744 +2.80e+07 S8.CA,HA; L6.HD1# 782 94 2.7750 5.0094 37.2436 +2.68e+07 C69.CA,HA; C69.HB1 1259 94 3.8776 4.7691 37.2349 +1.10e+07 S8.CA,HA; S8.HB1 781 94 2.5184 5.0156 37.2311 +1.99e+07 C69.CA,HA; C69.HB2 100 94 1.4608 4.7771 37.2212 +2.34e+07 S8.CA,HA; A50.HB# 1359 94 1.8228 0.5909 37.2203 +1.83e+07 I4.CG2,HG2#; V5.HB 1691 94 0.6548 5.0088 37.2187 +1.27e+07 C69.CA,HA; L74.HD2# 1690 94 1.3514 5.0144 37.2018 +2.22e+07 C69.CA,HA; T70.HG2# 904 95 2.9365 3.5966 37.1732 +1.01e+07 K82.CA,HA; K82.HE1|HE2 806 95 4.0386 2.2491 37.1364 +2.50e+07 E72.CG,HG1; E72.HA 1981 95 2.3776 5.0176 37.1268 +1.12e+07 C69.CA,HA; Q73.HG1|HG2 1689 95 2.0412 5.0049 37.1262 +1.40e+07 C69.CA,HA; Q73.HB2 905 95 1.1706 3.5826 37.1232 +7.83e+07 K82.CA,HA; K82.HG1|HG2 907 95 1.5671 3.5841 37.1219 +1.02e+08 K82.CA,HA; K82.HB2 368 95 4.3050 2.2715 37.1165 +1.32e+07 E35.CG,HG1; E35.HA 906 95 1.6587 3.5842 37.1059 +6.87e+07 K82.CA,HA; K82.HB1 1361 95 0.7194 0.5860 37.1057 +2.62e+08 I4.CG2,HG2#; I17.HG2# 34 95 4.6663 0.5879 37.0970 +4.71e+07 I4.CG2,HG2#; I4.HA 38 95 1.5431 0.5857 37.0851 +8.49e+07 I4.CG2,HG2#; I4.HB 39 95 1.3063 0.5853 37.0793 +4.38e+07 I4.CG2,HG2#; I4.HG12 43 95 0.1340 0.5862 37.0761 +1.78e+08 I4.CG2,HG2#; I4.HD1# 1360 95 0.9995 0.5867 37.0709 +1.15e+08 I4.CG2,HG2#; A46.HB# 982 95 2.9073 5.3284 37.0527 +1.40e+07 Y91.CA,HA; Y91.HB2 1362 95 0.3054 0.5835 37.0380 +2.20e+07 I4.CG2,HG2#; V105.HG2# 1770 96 1.1810 5.3223 37.0132 +1.22e+07 Y91.CA,HA; I78.HG2# 1733 96 1.5808 1.1974 37.0053 +2.86e+07 I78.CG2,HG2#; L49.HB2 855 96 5.0479 1.1932 37.0042 +3.48e+07 I78.CG2,HG2#; I78.HA 1734 96 0.8357 1.2001 37.0009 +2.01e+07 I78.CG2,HG2#; L79.HD1#|HD2# 438 96 0.7755 3.9341 36.9994 +1.04e+08 L40.CA,HA; L40.HD1# 866 96 0.6432 1.1952 36.9972 +1.89e+08 I78.CG2,HG2#; I78.HD1# 436 96 1.4356 3.9209 36.9914 +1.71e+07 L40.CA,HA; L40.HB2 1736 96 0.2047 1.1953 36.9907 +9.16e+07 I78.CG2,HG2#; V58.HG2# 879 96 1.3412 1.1974 36.9834 +4.11e+07 I78.CG2,HG2#; I78.HG11 878 96 1.7477 1.1943 36.9788 +6.82e+07 I78.CG2,HG2#; I78.HB 1735 96 0.4879 1.1959 36.9700 +1.27e+08 I78.CG2,HG2#; V88.HG1# 1729 96 5.3250 1.1937 36.9552 +2.09e+07 I78.CG2,HG2#; Y91.HA 1771 96 0.4656 5.3246 36.9465 +2.41e+07 Y91.CA,HA; I92.HD1# 1730 96 4.4766 1.1890 36.9363 +1.28e+07 I78.CG2,HG2#; G80.HA1 1737 96 -0.0997 1.1883 36.9009 +1.87e+07 I78.CG2,HG2#; V58.HG1# 1097 96 2.0642 2.3419 36.8932 +2.75e+08 E99.CG,HG1|HG2; E99.HB1 437 97 1.7460 3.9236 36.8418 +2.04e+07 L40.CA,HA; L40.HB1 1783 97 2.4436 1.0551 36.8276 +1.34e+07 I92.CG2,HG2#; Q104.HG2 1011 97 1.6062 1.0597 36.7980 +3.20e+07 I92.CG2,HG2#; L79.HB1|HB2 997 97 3.8156 1.0572 36.7895 +4.02e+07 I92.CG2,HG2#; P93.HD1|HD2 992 97 4.6191 1.0562 36.7824 +5.13e+07 I92.CG2,HG2#; I92.HA 1021 97 0.2246 1.0532 36.7810 +5.16e+07 I92.CG2,HG2#; I96.HD1# 995 97 4.2550 1.0558 36.7769 +1.37e+07 I92.CG2,HG2#; F101.HA 1013 97 0.8408 1.0550 36.7704 +1.12e+08 I92.CG2,HG2#; L79.HD1#|HD2# 1012 97 1.3684 1.0621 36.7564 +3.65e+07 I92.CG2,HG2#; I92.HG11 1785 97 0.0055 1.0526 36.7430 +1.90e+07 I92.CG2,HG2#; V105.HG1# 1006 97 1.8763 1.0539 36.7326 +7.29e+07 I92.CG2,HG2#; I92.HB 809 98 2.3630 4.2552 36.6822 +6.24e+07 Q73.CA,HA; E72.HG2 1016 98 0.7071 1.0525 36.6531 +3.43e+07 I92.CG2,HG2#; L48.HD1# 1681 99 3.9669 4.4807 36.5000 +1.07e+07 R68.CA,HA; L65.HA 1753 99 1.7140 4.4763 36.4875 +7.40e+07 R68.CA,HA; R68.HG1|HG2 1682 99 0.7776 4.4719 36.4345 +2.08e+07 R68.CA,HA; L40.HD2# 767 99 3.1438 4.4750 36.4290 +6.56e+07 R68.CA,HA; R68.HD1|HD2 769 99 1.7140 4.4763 36.4158 +7.40e+07 R68.CA,HA; R68.HG1|HG2 408 100 0.8788 2.2296 36.3671 +1.46e+07 E37.CG,HG1; V36.HG1# 751 100 3.3931 4.5588 36.3553 +1.80e+07 R66.CA,HA; R66.HD1 365 100 2.2575 4.2966 36.3302 +3.54e+07 E35.CA,HA; E35.HG1 406 100 3.9255 2.2382 36.3222 +1.87e+07 E37.CG,HG1; E37.HA 105 100 0.7297 4.8885 36.3203 +3.50e+07 E9.CA,HA; V32.HG2# 1495 100 0.7901 4.3043 36.3154 +2.36e+07 E35.CA,HA; L61.HD1# 407 100 0.8615 2.3074 36.2955 +1.90e+07 E37.CG,HG2; V36.HG1# 366 100 1.8748 4.2993 36.2934 +4.51e+07 E35.CA,HA; E35.HB2 115 100 4.1468 2.4843 36.2878 +1.15e+07 E11.CG,HG1; E11.HA 104 100 2.3802 4.8939 36.2674 +7.85e+07 E9.CA,HA; E9.HB1 103 101 2.1051 4.9064 36.1996 +3.08e+07 E9.CA,HA; E9.HB2 102 101 4.5199 4.9053 36.1941 +1.04e+07 E9.CA,HA; V32.HA 752 101 3.2686 4.5790 36.1716 +1.15e+07 R66.CA,HA; R66.HD2 1616 101 2.3162 3.7535 36.1678 +1.18e+08 E51.CA,HA; E51.HG1|HG2 1615 101 1.9925 3.7530 36.1675 +1.56e+08 E51.CA,HA; E51.HB1|HB2 1214 101 0.7690 4.3772 36.1662 +7.12e+07 L109.CA,HA; L109.HD2# 1614 101 3.7555 2.3204 36.1332 +4.10e+07 E51.CG,HG1|HG2; E51.HA 1351 101 1.9662 4.3733 36.1308 +2.84e+07 L109.CA,HA; L109.HB1 1980 102 2.4010 4.4910 36.0187 +9.48e+07 Q86.CA,HA; Q86.HG1|HG2 939 102 2.0842 4.4884 36.0164 +9.14e+07 Q86.CA,HA; Q86.HB2 938 103 2.4007 4.4913 35.8897 +1.04e+08 Q86.CA,HA; Q86.HG1|HG2 120 104 1.4981 4.1043 35.7131 +1.67e+08 A12.CA,HA; A12.HB# 1621 105 2.4187 4.7718 35.6227 +1.01e+07 Y55.CA,HA; E9.HG1|HG2 632 105 3.1985 4.7681 35.6159 +2.98e+07 Y55.CA,HA; Y55.HB1 1 105 0.8886 5.3341 35.6144 +9.67e+06 R3.CA,HA; I4.HG11 631 105 2.9193 4.7649 35.5265 +2.67e+07 Y55.CA,HA; Y55.HB2 1617 106 0.2434 4.6465 35.4340 +1.99e+07 F53.CA,HA; V58.HG2# 1295 106 2.3533 4.4180 35.3937 +1.27e+07 L112.CA,HA; E72.HG2 623 106 3.1777 4.6338 35.3588 +1.21e+07 F53.CA,HA; F53.HB1 1575 106 0.6737 1.7587 35.3404 +3.29e+07 V47.CB,HB; I76.HG2# 1703 106 3.7933 0.7671 35.3385 +1.88e+07 I76.CD1,HD1#; V88.HA 1292 106 4.0340 4.4087 35.3353 +2.33e+07 L112.CA,HA; E72.HA 972 106 3.0415 4.5479 35.3260 +2.47e+07 R90.CA,HA; R90.HD1 835 107 4.5939 0.7700 35.2969 +1.47e+07 I76.CD1,HD1#; I76.HA 1766 107 1.4287 4.5454 35.2889 +9.49e+07 R90.CA,HA; R90.HB2 1705 107 2.1040 0.7723 35.2885 +1.96e+07 I76.CD1,HD1#; L65.HB1 1767 107 0.4713 4.5324 35.2813 +1.63e+07 R90.CA,HA; V88.HG1# 1276 107 0.8294 1.7470 35.2798 +6.46e+07 V47.CB,HB; V47.HG2# 1706 107 1.6304 0.7629 35.2588 +4.32e+07 I76.CD1,HD1#; I76.HB 622 107 2.9557 4.6299 35.2550 +1.38e+07 F53.CA,HA; F53.HB2 1707 107 1.5230 0.7641 35.2503 +4.12e+07 I76.CD1,HD1#; I76.HG11 1242 107 1.4295 4.4106 35.2411 +3.19e+07 L112.CA,HA; A113.HB# 1709 107 0.4530 0.7639 35.2360 +2.32e+07 I76.CD1,HD1#; V88.HG1# 971 107 2.8551 4.5507 35.2232 +2.08e+07 R90.CA,HA; Y91.HB1 1708 107 0.9025 0.7648 35.1819 +8.77e+07 I76.CD1,HD1#; V62.HG1# 1768 107 2.8675 1.4267 35.1740 +1.22e+07 R90.CB,HB2; R90.HD2 1243 108 0.8923 4.4090 35.1506 +3.17e+08 L112.CA,HA; L112.HD1# 1352 108 1.6543 4.4090 35.1435 +4.05e+08 L112.CA,HA; L112.HB1|HB2 1704 108 3.2466 0.7612 35.1084 +2.42e+07 I76.CD1,HD1#; V62.HA 1296 108 2.9911 4.4063 35.0308 +2.15e+07 L112.CA,HA; K75.HE2 1477 109 3.2534 0.8967 34.9189 +1.89e+07 I29.CD1,HD1#; R3.HD1 303 109 5.1119 0.8977 34.9124 +3.91e+07 I29.CD1,HD1#; I29.HA 1476 109 3.0420 0.8962 34.9121 +2.97e+07 I29.CD1,HD1#; R3.HD2 1560 109 1.9900 1.0380 34.9013 +2.53e+07 I45.CD1,HD1#; L109.HG 507 109 1.6671 1.0435 34.8919 +3.49e+07 I45.CD1,HD1#; L109.HB2 1413 109 2.0595 0.6979 34.8903 +2.13e+07 I20.CD1,HD1#; P98.HB2 1563 109 0.1380 1.0356 34.8902 +8.11e+07 I45.CD1,HD1#; I4.HD1# 505 109 2.1329 1.0352 34.8877 +1.01e+08 I45.CD1,HD1#; I45.HB 1411 109 3.0934 0.6912 34.8871 +2.49e+07 I20.CD1,HD1#; I17.HA 1558 109 4.4121 1.0393 34.8844 +1.98e+07 I45.CD1,HD1#; L109.HA 513 109 0.7519 1.0346 34.8802 +2.19e+08 I45.CD1,HD1#; L109.HD2# 511 109 1.1823 1.0363 34.8752 +2.83e+08 I45.CD1,HD1#; I45.HG2# 512 109 1.3676 1.0356 34.8744 +1.97e+08 I45.CD1,HD1#; I45.HG11|HG12 1479 109 0.7469 0.8986 34.8697 +1.37e+08 I29.CD1,HD1#; L42.HD2# 1557 109 4.5634 1.0358 34.8675 +7.56e+07 I45.CD1,HD1#; G2.HA1 1415 109 1.3397 0.6946 34.8617 +4.10e+07 I20.CD1,HD1#; L16.HG 1416 109 1.0903 0.6961 34.8592 +1.96e+08 I20.CD1,HD1#; I20.HG2# 1412 109 2.2066 0.6904 34.8587 +3.17e+07 I20.CD1,HD1#; P98.HB1 1414 109 1.7750 0.6950 34.8575 +8.06e+07 I20.CD1,HD1#; I20.HB 1559 109 3.9858 1.0350 34.8575 +5.93e+07 I45.CD1,HD1#; G2.HA2 1478 109 1.9283 0.8981 34.8550 +5.58e+07 I29.CD1,HD1#; I29.HB 309 109 1.5477 0.8989 34.8476 +7.65e+07 I29.CD1,HD1#; I29.HG12 1417 109 0.8729 0.7002 34.8470 +1.19e+08 I20.CD1,HD1#; L16.HD1# 1418 110 0.2177 0.6980 34.8420 +5.07e+07 I20.CD1,HD1#; I96.HD1# 310 110 1.3345 0.8931 34.8385 +7.38e+07 I29.CD1,HD1#; I29.HG11 1419 110 0.4193 0.6980 34.8353 +1.12e+08 I20.CD1,HD1#; I17.HD1# 1409 110 3.9593 0.6964 34.8246 +4.62e+07 I20.CD1,HD1#; P98.HA 1398 110 3.3752 0.4097 34.8229 +2.04e+07 I17.CD1,HD1#; S14.HA 812 110 2.1197 4.4671 34.8210 +1.07e+07 L74.CA,HA; I45.HB 190 110 3.7222 0.6977 34.8165 +2.83e+07 I20.CD1,HD1#; I20.HA 1911 110 3.3904 0.6927 34.8030 +1.75e+07 I20.CD1,HD1#; F101.HB1 1401 110 1.0411 0.4061 34.7879 +1.42e+08 I17.CD1,HD1#; T13.HG2# 172 110 1.3948 0.4041 34.7849 +4.75e+07 I17.CD1,HD1#; I17.HG11 171 110 1.5958 0.4054 34.7835 +6.23e+07 I17.CD1,HD1#; I17.HB 1403 110 0.2238 0.4076 34.7823 +1.54e+08 I17.CD1,HD1#; I96.HD1# 1400 110 0.7259 0.4066 34.7778 +2.53e+08 I17.CD1,HD1#; I17.HG2# 1402 110 0.8402 0.4056 34.7776 +1.96e+08 I17.CD1,HD1#; L79.HD1#|HD2# 167 110 3.1052 0.4084 34.7736 +2.22e+07 I17.CD1,HD1#; I17.HA 1399 110 3.7083 0.4101 34.7662 +1.92e+07 I17.CD1,HD1#; T13.HA 1342 110 0.6633 4.4673 34.7417 +6.40e+07 L74.CA,HA; L74.HD1# 1343 110 1.1959 4.4569 34.6933 +1.34e+07 L74.CA,HA; L74.HG 1674 112 3.9457 2.7063 34.5234 +1.64e+07 Q64.CG,HG1; Q64.HA 462 112 0.7535 4.1022 34.5225 +5.54e+07 L42.CA,HA; L42.HD2# 460 112 1.8286 4.1017 34.5131 +1.60e+07 L42.CA,HA; L42.HG 461 112 0.8901 4.1017 34.4768 +2.10e+07 L42.CA,HA; L42.HD1# 1258 112 2.1233 2.3062 34.3995 +1.86e+08 Q117.CG,HG1|HG2; Q117.HB1 760 113 4.1369 2.5943 34.2670 +2.18e+07 Q67.CG,HG2; Q67.HA 745 113 4.1476 2.4551 34.2413 +2.25e+07 Q67.CG,HG1; Q67.HA 763 114 2.1553 2.5931 34.2168 +4.68e+07 Q67.CG,HG2; Q67.HB1|HB2 453 114 1.4810 4.1506 34.1825 +1.60e+08 A41.CA,HA; A41.HB# 741 114 3.9683 2.4761 34.1437 +2.68e+07 Q67.CG,HG1; Q64.HA 1146 114 2.1553 2.5931 34.1437 +4.68e+07 Q67.CG,HG2; Q67.HB1|HB2 1540 114 1.1997 4.1426 34.1256 +1.31e+07 A41.CA,HA; T43.HG2# 1680 114 3.9702 2.5995 34.1247 +1.42e+07 Q67.CG,HG2; Q64.HA 1363 115 0.8243 1.8349 34.0418 +1.51e+07 V5.CB,HB; L31.HD1# 639 115 2.7644 4.6047 34.0057 +4.25e+07 D57.CA,HA; D57.HB1 1313 115 0.9914 1.8309 33.9995 +2.58e+07 V5.CB,HB; V5.HG1# 1624 115 0.2279 4.6024 33.9942 +1.19e+07 D57.CA,HA; V58.HG2# 1623 115 3.3428 4.5984 33.9916 +1.16e+07 D57.CA,HA; V58.HA 277 115 2.2442 5.0103 33.9580 +1.16e+07 Q27.CA,HA; Q27.HB2 642 115 2.2577 4.6099 33.9526 +8.76e+06 D57.CA,HA; Q59.HB2 638 115 2.5889 4.6011 33.9452 +4.70e+07 D57.CA,HA; D57.HB2 641 115 2.0864 4.6042 33.9387 +1.46e+07 D57.CA,HA; E60.HB1|HB2 1141 115 2.1839 2.4782 33.9193 +9.61e+07 Q103.CG,HG2; Q103.HB1|HB2 1140 116 3.9868 2.4820 33.8791 +3.07e+07 Q103.CG,HG2; Q103.HA 1139 116 3.9955 2.3915 33.8696 +1.90e+07 Q103.CG,HG1; Q103.HA 107 116 2.8483 4.7368 33.8465 +2.03e+07 D10.CA,HA; D10.HB1 278 116 1.9775 5.0100 33.8353 +1.08e+07 Q27.CA,HA; Q27.HB1 1143 116 1.2233 2.4013 33.8222 +1.02e+07 Q103.CG,HG1; T106.HG2# 1778 116 2.8596 0.4629 33.8214 +1.99e+07 I92.CD1,HD1#; Y91.HB1 1755 116 2.0940 2.4011 33.7971 +1.38e+08 Q86.CG,HG1|HG2; Q86.HB2 109 116 2.4267 4.7509 33.7912 +1.15e+07 D10.CA,HA; E9.HG1|HG2 1598 116 1.0427 4.8966 33.7899 +1.05e+07 L49.CA,HA; L6.HB2 941 116 4.4984 2.4027 33.7817 +5.69e+07 Q86.CG,HG1|HG2; Q86.HA 108 116 2.6566 4.7361 33.7741 +2.77e+07 D10.CA,HA; D10.HB2 1142 116 1.2300 2.4820 33.7739 +9.63e+06 Q103.CG,HG2; T106.HG2# 1337 116 0.6964 4.8979 33.7592 +3.42e+07 L49.CA,HA; L49.HD1# 1003 117 2.4345 0.4635 33.7400 +1.75e+07 I92.CD1,HD1#; Q104.HG2 2026 117 0.9260 4.9951 33.7399 +1.01e+07 Q27.CA,HA; V28.HG2# 1777 117 3.0458 0.4666 33.7362 +3.00e+07 I92.CD1,HD1#; F77.HB1 999 117 3.2360 0.4601 33.7353 +2.72e+07 I92.CD1,HD1#; V105.HA 1775 117 4.2610 0.4645 33.7302 +1.22e+07 I92.CD1,HD1#; F101.HA 589 117 1.9982 4.8843 33.7302 +1.34e+07 L49.CA,HA; L49.HB1 1007 117 1.8783 0.4575 33.7140 +6.67e+07 I92.CD1,HD1#; I92.HB 1009 117 1.3774 0.4599 33.7118 +1.07e+08 I92.CD1,HD1#; R90.HG1 1781 117 1.5874 0.4582 33.7028 +3.54e+07 I92.CD1,HD1#; L79.HG 1010 117 1.0504 0.4593 33.6990 +2.10e+08 I92.CD1,HD1#; I92.HG2# 993 117 4.6175 0.4619 33.6980 +2.84e+07 I92.CD1,HD1#; I92.HA 1019 117 0.0079 0.4581 33.6964 +1.36e+08 I92.CD1,HD1#; V105.HG1# 1022 117 0.2955 0.4580 33.6940 +7.31e+07 I92.CD1,HD1#; V105.HG2# 1015 117 0.7091 0.4576 33.6827 +9.03e+07 I92.CD1,HD1#; L48.HD1# 1782 117 0.8438 0.4580 33.6825 +1.50e+08 I92.CD1,HD1#; L79.HD1#|HD2# 1780 117 2.6316 0.4554 33.6726 +1.80e+07 I92.CD1,HD1#; Q104.HG1 1005 117 2.0823 0.4589 33.6707 +2.15e+07 I92.CD1,HD1#; Q104.HB1 1776 117 3.8164 0.4590 33.6588 +1.99e+07 I92.CD1,HD1#; P93.HD1|HD2 284 120 0.9646 2.0070 33.2762 +4.35e+07 V28.CB,HB; V28.HG1# 830 120 1.7762 4.9327 33.2591 +2.38e+07 K75.CA,HA; K75.HD1 949 120 0.7149 1.9030 33.2210 +4.79e+07 V88.CB,HB; V88.HG2# 1334 120 0.8061 4.7945 33.1994 +4.73e+07 L31.CA,HA; L31.HD1# 950 120 0.4583 1.9050 33.1936 +4.67e+07 V88.CB,HB; V88.HG1# 1585 120 0.4626 5.1130 33.1764 +1.44e+07 L48.CA,HA; I92.HD1# 1483 120 1.2141 5.9211 33.1763 +9.96e+06 W30.CA,HA; L6.HG 948 120 3.8021 1.9305 33.1389 +1.34e+07 V88.CB,HB; V88.HA 1484 120 0.9766 5.9178 33.1296 +1.19e+07 W30.CA,HA; V5.HG2# 1485 121 0.7503 5.9186 33.1274 +1.50e+07 W30.CA,HA; L6.HD2# 1088 121 3.2718 5.1150 33.1160 +1.81e+07 H97.CA,HA; H97.HB1 1336 121 0.7207 5.1144 33.0881 +2.94e+07 L48.CA,HA; L48.HD1# 1814 121 3.9020 5.1141 33.0682 +2.20e+07 H97.CA,HA; P98.HD2 1089 121 3.1017 5.1080 33.0530 +1.92e+07 H97.CA,HA; H97.HB2 848 122 2.7036 5.7210 32.9612 +1.07e+07 F77.CA,HA; F77.HB2 775 122 4.4763 2.0835 32.9294 +1.02e+07 R68.CB,HB1; R68.HA 886 122 0.8429 5.5542 32.9208 +3.79e+07 L79.CA,HA; L79.HD1#|HD2# 1683 122 1.7054 2.0909 32.9158 +1.57e+07 R68.CB,HB1; R68.HG1|HG2 1738 122 1.8567 5.5676 32.8825 +1.00e+07 L79.CA,HA; I92.HB 1715 122 0.7077 5.6912 32.8818 +1.91e+07 F77.CA,HA; V88.HG2# 847 122 3.0087 5.7128 32.8807 +1.21e+07 F77.CA,HA; F77.HB1 883 122 1.5952 5.5597 32.8666 +2.59e+07 L79.CA,HA; L79.HG 1725 122 1.5570 0.6431 32.8182 +4.19e+07 I78.CD1,HD1#; L49.HB2 358 123 2.5800 4.7394 32.7852 +6.82e+07 D33.CA,HA; D33.HB1|HB2 856 123 5.0434 0.6427 32.7645 +4.77e+07 I78.CD1,HD1#; I78.HA 867 123 1.2001 0.6435 32.7619 +2.77e+08 I78.CD1,HD1#; I78.HG2# 860 123 -0.0885 0.6439 32.7590 +2.13e+08 I78.CD1,HD1#; V58.HG1# 1727 123 0.2227 0.6434 32.7508 +2.32e+08 I78.CD1,HD1#; V58.HG2# 1726 123 0.4837 0.6445 32.7456 +2.31e+08 I78.CD1,HD1#; V88.HG1# 1724 123 1.9100 0.6364 32.7455 +2.62e+07 I78.CD1,HD1#; V88.HB 873 123 1.7411 0.6363 32.7310 +5.13e+07 I78.CD1,HD1#; I78.HB 1739 123 1.4510 5.5540 32.7224 +1.50e+07 L79.CA,HA; A50.HB# 1355 123 1.9408 0.1317 32.6743 +2.30e+07 I4.CD1,HD1#; L21.HG 1356 124 0.3285 0.1326 32.5621 +8.21e+07 I4.CD1,HD1#; V105.HG2# 23 124 0.5869 0.1341 32.5600 +2.82e+08 I4.CD1,HD1#; I4.HG2# 21 124 0.9376 0.1344 32.5558 +1.24e+08 I4.CD1,HD1#; I4.HG11 18 124 1.2999 0.1361 32.5538 +8.04e+07 I4.CD1,HD1#; I4.HG12 22 124 0.7236 0.1349 32.5465 +2.72e+08 I4.CD1,HD1#; L109.HD1# 1354 124 1.0269 0.1343 32.5452 +1.75e+08 I4.CD1,HD1#; A46.HB# 17 124 1.5365 0.1369 32.5364 +6.47e+07 I4.CD1,HD1#; I4.HB 1253 124 1.4351 4.4214 32.5314 +3.25e+08 A113.CA,HA; A113.HB# 1206 124 4.1953 2.0161 32.5038 +1.22e+07 M107.CB,HB2; M107.HA 14 125 4.2360 0.1319 32.4690 +1.14e+07 I4.CD1,HD1#; L21.HA 13 125 4.6535 0.1365 32.4504 +4.31e+07 I4.CD1,HD1#; I4.HA 1205 125 4.2035 2.5781 32.4495 +2.24e+07 M107.CG,HG2; M107.HA 1213 125 2.5603 2.0159 32.4336 +1.71e+07 M107.CB,HB2; M107.HG2 254 125 1.6904 4.4133 32.4120 +1.45e+08 A24.CA,HA; A24.HB# 1210 125 2.5835 2.1239 32.4034 +2.47e+07 M107.CB,HB1; M107.HG2 1202 125 4.1972 2.7340 32.3996 +2.09e+07 M107.CG,HG1; M107.HA 1212 125 2.7281 2.1277 32.3896 +1.78e+07 M107.CB,HB1; M107.HG1 1211 125 2.7184 2.0101 32.3833 +2.27e+07 M107.CB,HB2; M107.HG1 913 125 3.5781 1.5892 32.3807 +1.97e+07 K82.CB,HB2; K82.HA 916 126 1.1752 1.6692 32.3289 +3.22e+07 K82.CB,HB1; K82.HG1|HG2 1204 126 4.2158 2.1361 32.3242 +1.28e+07 M107.CB,HB1; M107.HA 912 126 3.5807 1.6718 32.2986 +2.33e+07 K82.CB,HB1; K82.HA 917 126 1.1685 1.5744 32.2938 +3.22e+07 K82.CB,HB2; K82.HG1|HG2 924 126 2.6792 4.8155 32.2619 +1.56e+08 N84.CA,HA; N84.HB1 925 126 2.4647 4.8158 32.2584 +1.38e+08 N84.CA,HA; N84.HB2 1805 127 0.8353 0.2168 32.0900 +3.20e+08 I96.CD1,HD1#; L79.HD1#|HD2# 1065 127 1.6542 0.2166 32.0821 +8.96e+07 I96.CD1,HD1#; I96.HB 1067 127 1.0531 0.2164 32.0819 +3.38e+08 I96.CD1,HD1#; I96.HG11|HG12 1070 127 0.4208 0.2173 32.0761 +3.37e+08 I96.CD1,HD1#; I96.HG2# 1804 127 1.3758 0.2172 32.0743 +3.56e+07 I96.CD1,HD1#; I92.HG11 1801 127 3.7094 0.2176 32.0598 +2.27e+07 I96.CD1,HD1#; T13.HA 1349 128 0.8378 4.3066 32.0227 +5.76e+07 L94.CA,HA; L94.HD2# 381 128 0.9916 2.0439 31.9302 +9.88e+07 V36.CB,HB; V36.HG2# 382 128 0.8591 2.0456 31.9085 +1.40e+08 V36.CB,HB; V36.HG1# 377 128 3.4886 2.0503 31.8917 +4.15e+07 V36.CB,HB; V36.HA ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H-aliphatic . 'not observed' 7211.539 Hz . . . 1918.60 . . 30093 3 2 . . C 13 C-aliphatic . folded 3023.204 Hz . . . 5944.17 . . 30093 3 3 . . H 1 H-aliphatic . 'not observed' 4027.584 Hz . . . 1918.60 . . 30093 3 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 3 $software_3 . . 30093 3 5 $software_5 . . 30093 3 stop_ save_ save_spectral_peak_list_4 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_4 _Spectral_peak_list.Entry_ID 30093 _Spectral_peak_list.ID 4 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 15 _Spectral_peak_list.Sample_label $sample_15 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID . _Spectral_peak_list.Chem_shift_reference_label . _Spectral_peak_list.Experiment_ID 36 _Spectral_peak_list.Experiment_name '13C-edited, 12C-filtered 3D NOESY-HSQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details ; Residue numbering for CikA is offset by 612. For example, residues 613 to 729 in CikA is residue 1 to 117 in this peak list. Residue numbering for KaiB is offset by 200. For example, residue 1 to 106 in KaiB is residue 201 to 306 in this peak list. ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Peak Pick Table, File: c12c13internoesy_v9.PCK # # Input Parameters: DATA DIMCOUNT 3 DATA X_AXIS 256 3606.79 601.13 3606.191 PPM 0.00 DATA Y_AXIS 1024 7211.54 601.13 5408.564 PPM 0.00 DATA Z_AXIS 256 3023.20 151.16 7829.947 PPM 0.00 # FORMAT %4d %4d %9.4f %9.4f %9.4f %+8.2e %10s VARS PkID Sl.Z X Y Z Intensity Assign 1320 3 0.8872 2.3755 51.6442 +7.27e+06 V32.CB,HB; I245.HG12|HG11 560 25 0.8870 1.8124 49.9513 +6.57e+06 R38.CB,HB1; L225.HD1#|HD2# 507 37 0.6927 1.5456 49.0119 +1.18e+07 I29.CG1,HG12; L242.HD1#|HD2# 1014 37 1.6573 1.5513 49.0102 +6.95e+06 **** 508 37 0.6860 1.3251 48.9909 +1.36e+07 I29.CG1,HG11; L242.HD1#|HD2# 1128 37 1.7797 1.6566 48.9494 +5.49e+06 **** 1289 38 1.2746 1.5388 48.9315 +8.58e+06 I29.CG1,HG12; A229.HB# 1261 40 0.8689 4.3538 48.7277 +1.24e+07 T23.CB,HB; L204.HD1# 1260 40 4.3069 4.3545 48.7138 +6.98e+06 T23.CB,HB; L204.HA 1246 41 0.8857 1.8768 48.6434 +7.44e+06 I20.CG1,HG11; L204.HD2# 1324 44 0.8634 1.5405 48.4414 +1.30e+07 R38.CG,HG2; L225.HD2# 1248 44 3.9630 4.2693 48.4297 +9.11e+06 T22.CB,HB; T207.HB 550 44 0.8603 1.4159 48.4224 +1.30e+07 R38.CG,HG1; L225.HD1# 1249 44 1.1313 4.2746 48.4097 +2.22e+07 T22.CB,HB; T207.HG2# 1023 54 0.8808 1.7659 47.6385 +8.26e+06 **** 1346 63 1.2383 1.8264 46.9641 +6.83e+06 L42.CG,HG; A229.HB# 1347 63 0.8671 1.8340 46.9177 +1.16e+07 L42.CG,HG; L225.HD2# 1351 64 0.7239 0.8924 46.9032 +1.80e+07 L42.CD1,HD1#; V244.HG2# 1350 64 0.8569 0.8937 46.8825 +5.77e+07 L42.CD1,HD1#; L225.HD2# 1349 64 1.2572 0.8973 46.8736 +1.40e+07 L42.CD1,HD1#; A229.HB# 1348 64 1.4993 0.8925 46.8725 +1.28e+07 L42.CD1,HD1#; L225.HG 1039 65 2.4008 0.9159 46.8222 +5.70e+06 **** 1258 70 3.9293 4.0190 46.4433 +7.08e+06 T23.CA,HA; T207.HB 446 70 1.1177 3.1436 46.4272 +5.41e+06 C18.CB,HB1; T207.HG2# 1236 70 1.4807 3.1526 46.4218 +1.58e+07 C18.CB,HB1; A241.HB# 1237 70 1.4870 2.3452 46.4118 +1.37e+07 C18.CB,HB2; A241.HB# 1259 70 1.1286 4.0202 46.3979 +9.47e+06 T23.CA,HA; T207.HG2# 1238 70 1.1285 2.3611 46.3820 +6.10e+06 C18.CB,HB2; T207.HG2# 1299 73 0.8595 0.8478 46.1487 +2.44e+07 L31.CD2,HD2#; L225.HD2# 1021 74 3.6542 0.8584 46.1342 +8.50e+06 **** 1297 74 1.9001 0.8542 46.0959 +1.36e+07 L31.CD2,HD2#; V244.HB 526 74 0.7271 0.8535 46.0717 +2.26e+07 L31.CD2,HD2#; V244.HG1#|HG2# 997 81 0.8654 0.7622 45.5781 +3.04e+07 **** 996 81 2.9833 0.7611 45.5320 +9.66e+06 **** 74 83 3.0663 3.5371 45.3741 +9.91e+06 G25.CA,HA2; K237.HE1|HE2 1235 84 1.4843 3.8891 45.3324 +1.22e+07 C18.CA,HA; A241.HB# 1273 84 3.0465 4.1579 45.3224 +6.23e+06 G25.CA,HA1; K237.HE1|HE2 1321 94 1.6991 2.5850 44.5001 +1.27e+07 **** 1322 95 3.0225 2.5786 44.4757 +1.21e+07 **** 88 99 4.9106 0.9265 44.1474 +1.50e+07 V28.CG2,HG2#; A241.HA 89 99 1.4864 0.9258 44.1145 +2.01e+07 V28.CG2,HG2#; A241.HB# 1022 101 1.6998 0.8163 43.9568 +6.98e+06 **** 523 101 0.7252 0.8073 43.9563 +1.00e+08 L31.CD1,HD1#; V244.HG1#|HG2# 1296 101 1.9038 0.8071 43.9561 +7.69e+07 L31.CD1,HD1#; V244.HB 1298 101 0.8519 0.8077 43.9537 +5.40e+07 L31.CD1,HD1#; L225.HD1# 1328 108 0.8627 3.2101 43.4179 +1.47e+07 R38.CD,HD1; L225.HD2# 1326 108 0.7258 3.0323 43.4124 +1.13e+07 R38.CD,HD2; V244.HG1# 1325 109 0.7342 3.1975 43.3888 +1.05e+07 R38.CD,HD1; V244.HG2# 1329 109 0.8601 3.0311 43.3871 +1.43e+07 R38.CD,HD2; L225.HD1# 987 112 4.3553 0.8611 43.1598 +5.69e+06 **** 923 112 3.0244 3.1439 43.1271 +2.06e+07 **** 1034 114 1.2583 0.9816 42.9620 +6.63e+06 **** 1010 115 1.0924 0.9870 42.8620 +1.99e+07 **** 1242 115 1.6256 4.0629 42.8617 +1.19e+07 S19.CB,HB1|HB2; R205.HG1|HG2 1244 116 0.8880 4.0640 42.8536 +2.53e+07 S19.CB,HB1|HB2; L204.HD2# 1360 116 2.9924 0.7511 42.8270 +1.20e+07 **** 1240 116 4.3307 4.0626 42.8167 +1.99e+07 S19.CB,HB1|HB2; R205.HA 1243 116 1.1253 4.0580 42.8149 +1.46e+07 S19.CB,HB1|HB2; T207.HG2# 1008 116 0.8715 0.9921 42.8022 +2.90e+07 **** 1355 116 1.2615 0.7511 42.7994 +8.15e+07 L42.CD2,HD2#; A229.HB# 1358 116 1.6877 0.7522 42.7968 +2.33e+07 L42.CD2,HD2#; K226.HG2|HG1 1353 116 0.8588 0.7511 42.7967 +1.23e+08 L42.CD2,HD2#; L225.HD2# 1363 116 3.7996 0.7532 42.7842 +4.04e+07 L42.CD2,HD2#; K226.HA 1354 116 0.7070 0.7506 42.7799 +2.49e+07 L42.CD2,HD2#; V244.HG2# 25 117 3.9521 4.0638 42.7736 +1.99e+07 S19.CB,HB1|HB2; T207.HB 1043 117 2.0279 0.7507 42.7613 +1.06e+07 **** 1281 117 1.4854 0.9871 42.7529 +4.16e+07 V28.CG1,HG1#; A241.HB# 1359 117 1.8639 0.7585 42.7309 +1.03e+07 L42.CD2,HD2#; K226.HB1|HB2 1009 117 0.7239 0.9918 42.7214 +1.50e+07 **** 82 117 4.9047 0.9850 42.7179 +2.16e+07 V28.CG1,HG1#; A241.HA 1270 128 1.1282 1.3105 41.8822 +6.56e+07 T23.CG2,HG2#; T207.HG2# 1365 128 1.6252 1.3103 41.8772 +5.80e+07 T23.CG2,HG2#; L204.HG 1266 128 1.7745 1.3096 41.8761 +2.59e+07 T23.CG2,HG2#; K206.HB1|HB2 1306 128 4.0173 0.7259 41.8752 +9.92e+06 V32.CG2,HG2#; I245.HA 1309 128 0.7492 0.7245 41.8748 +2.17e+07 V32.CG2,HG2#; I245.HG2# 1029 128 3.5791 0.7140 41.8649 +1.69e+07 **** 1269 128 0.8723 1.3101 41.8638 +6.32e+07 T23.CG2,HG2#; L204.HD2# 1263 128 3.1983 1.3097 41.8560 +2.99e+07 T23.CG2,HG2#; R205.HD1|HD2 1262 129 3.9611 1.3088 41.8325 +1.43e+07 T23.CG2,HG2#; T207.HB 1308 129 0.9148 0.7243 41.8313 +6.03e+07 V32.CG2,HG2#; I245.HG12|HG11 1241 129 1.1359 4.4206 41.8232 +1.46e+07 S19.CA,HA; T207.HG2# 1239 129 3.9507 4.4215 41.8230 +1.59e+07 S19.CA,HA; T207.HB 1027 129 0.5910 0.7255 41.8062 +1.17e+07 **** 992 132 1.5784 1.2285 41.5899 +1.78e+07 **** 1231 132 0.9816 1.2298 41.5852 +1.26e+08 T15.CG2,HG2#; L269.HD1# 1026 132 0.4168 0.7227 41.5646 +1.26e+07 **** 995 132 4.1345 1.2389 41.5307 +8.02e+06 **** 1229 133 2.0174 1.2291 41.5238 +1.04e+07 T15.CG2,HG2#; V209.HB 1250 140 5.4864 1.1558 40.9447 +5.70e+06 T22.CG2,HG2#; Y240.HA 1251 140 4.8966 1.1471 40.9403 +7.86e+06 T22.CG2,HG2#; A241.HA 1256 140 0.7771 1.1430 40.9363 +1.11e+07 T22.CG2,HG2#; V239.HG2# 1035 140 0.7659 0.8667 40.9231 +2.01e+07 **** 1253 140 3.9620 1.1479 40.9179 +7.83e+07 T22.CG2,HG2#; T207.HB 1255 140 1.1281 1.1475 40.9167 +1.01e+08 T22.CG2,HG2#; T207.HG2# 1254 141 1.4997 1.1451 40.8934 +1.41e+07 T22.CG2,HG2#; A241.HB# 1036 141 0.9687 0.8654 40.8891 +2.05e+07 **** 1252 141 4.4216 1.1453 40.8839 +1.95e+07 T22.CG2,HG2#; T207.HA 1000 141 3.0591 1.1445 40.8596 +5.63e+06 **** 1283 147 0.6955 5.1150 40.4020 +8.12e+06 I29.CA,HA; L242.HD1# 1007 150 4.2863 1.6904 40.1604 +6.69e+06 **** 1271 152 1.5877 1.6949 40.0288 +1.17e+07 A24.CB,HB#; L204.HB1|HB2 1272 152 1.7944 1.6971 40.0051 +1.11e+07 **** 1317 153 1.3082 0.7707 39.9228 +1.30e+07 V32.CG1,HG1#; I245.HB 1311 153 0.2638 0.7708 39.9038 +3.43e+07 V32.CG1,HG1#; I245.HD1# 1319 153 4.0155 0.7702 39.8881 +6.52e+07 V32.CG1,HG1#; I245.HA 1314 154 0.9121 0.7706 39.8822 +8.86e+07 V32.CG1,HG1#; L253.HD1# 1312 154 0.7469 0.7713 39.8729 +6.83e+07 V32.CG1,HG1#; I245.HG2# 1024 154 0.4273 0.7807 39.8116 +1.58e+07 **** 1291 155 1.9029 0.8836 39.7834 +9.80e+06 I29.CG2,HG2#; V244.HB 1294 155 0.8533 0.8839 39.7674 +4.44e+07 I29.CG2,HG2#; L225.HD2# 1292 155 1.2897 0.8825 39.7583 +1.77e+07 I29.CG2,HG2#; L242.HG 517 155 0.7031 0.8838 39.7492 +8.35e+07 I29.CG2,HG2#; L242.HD1#|HD2# 1012 156 1.4933 0.8791 39.6526 +8.58e+06 **** 518 158 0.7155 1.8955 39.5721 +6.96e+06 I29.CB,HB; L242.HD2# 1046 171 1.2840 1.1768 38.5264 +7.38e+06 **** 1045 171 1.0716 1.1708 38.4837 +1.01e+07 **** 1343 176 1.3807 1.4917 38.1295 +4.84e+07 A41.CB,HB#; L225.HB2|HB1 989 176 1.6099 1.4934 38.1044 +4.32e+07 **** 1247 178 0.8770 1.0914 37.9822 +2.63e+07 I20.CG2,HG2#; L204.HD2# 1337 178 3.5657 1.4775 37.9746 +1.99e+07 A41.CB,HB#; V222.HA 1339 178 1.8322 1.4746 37.9463 +7.19e+06 A41.CB,HB#; K226.HB1|HB2 1344 179 0.9085 1.4808 37.9306 +1.34e+08 A41.CB,HB#; V222.HG2#|HG1# 1338 179 2.0096 1.4776 37.9242 +1.04e+07 A41.CB,HB#; V222.HB 1335 179 4.0323 1.4761 37.9230 +9.60e+06 A41.CB,HB#; R223.HA 1340 179 1.6817 1.4808 37.9161 +5.39e+07 A41.CB,HB#; K226.HG2|HG1 1334 179 4.2753 1.4804 37.8965 +7.56e+06 **** 881 179 2.9445 1.4831 37.8928 +3.68e+07 A41.CB,HB#; K226.HE1|HE2 882 179 3.0244 1.4814 37.8928 +3.58e+07 A41.CB,HB#; K226.HE2|HE1 1336 179 3.8036 1.4855 37.8830 +1.09e+07 A41.CB,HB#; K226.HA 1285 217 1.0260 0.8938 34.9288 +1.64e+07 I29.CD1,HD1#; L242.HB2|HB1 1015 217 4.2145 0.8943 34.9032 +7.30e+06 **** 1047 217 1.1337 1.0332 34.8938 +9.59e+06 **** 1286 217 1.4792 0.8941 34.8917 +1.74e+07 I29.CD1,HD1#; L225.HB1|HB2 1017 217 1.6644 0.8923 34.8884 +8.50e+06 **** 1019 217 1.2611 0.8965 34.8863 +9.53e+07 **** 1287 217 3.7271 0.8954 34.8855 +3.38e+07 I29.CD1,HD1#; A229.HA 499 218 0.6836 0.8959 34.8847 +7.52e+07 I29.CD1,HD1#; L242.HD1#|HD2# 1284 218 0.8433 0.8963 34.8789 +4.96e+07 I29.CD1,HD1#; L225.HD2# 1245 218 0.8803 0.6994 34.8398 +3.14e+07 **** 1016 218 1.9757 0.8971 34.8194 +1.20e+07 **** 1288 219 5.0881 0.8990 34.7660 +6.25e+06 I29.CD1,HD1#; L242.HA 1333 226 0.8888 4.1523 34.2182 +8.22e+06 A41.CA,HA; V222.HG2#|HG1# 1330 227 4.0163 4.1575 34.1808 +7.00e+06 A41.CA,HA; R223.HA 1332 229 2.9912 4.1591 33.9921 +7.97e+06 A41.CA,HA; K226.HE2|HE1 1276 231 4.2049 5.0037 33.8064 +8.82e+06 Q27.CA,HA; K237.HA 1300 237 0.7235 4.8043 33.3932 +6.35e+06 L31.CA,HA; V244.HG1# 1278 237 1.4902 2.0035 33.3495 +1.48e+07 V28.CB,HB; A241.HB# 1277 239 4.9040 2.0019 33.1813 +1.01e+07 V28.CB,HB; A241.HA 1005 248 4.5148 4.3970 32.5120 +9.67e+07 **** ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H-aliphatic . 'not observed' 7211.539 Hz . . . 1918.60 . . 30093 4 2 . . C 13 C-aliphatic . folded 3023.204 Hz . . . 5944.17 . . 30093 4 3 . . H 1 H-aliphatic . 'not observed' 3606.792 Hz . . . 1918.60 . . 30093 4 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 3 $software_3 . . 30093 4 5 $software_5 . . 30093 4 stop_ save_ save_spectral_peak_list_5 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_5 _Spectral_peak_list.Entry_ID 30093 _Spectral_peak_list.ID 5 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 6 _Spectral_peak_list.Sample_label $sample_6 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID . _Spectral_peak_list.Chem_shift_reference_label . _Spectral_peak_list.Experiment_ID 18 _Spectral_peak_list.Experiment_name '15N, 13C edited 4D NOESY-HSQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 4 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details ; Residue numbering for CikA is offset by 612. For example, residues 613 to 729 in CikA is residue 1 to 117 in this peak list. Residue numbering for KaiB is offset by 200. For example, residue 1 to 106 in KaiB is residue 201 to 306 in this peak list. ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # pipp Peak Pick Table, File: a.PCK # Path: /mnt/hgfs/Desktop/data/xipp_assignment_50C_complex/nmr_data_TB_complex/4D-N15-C13-internoe-noesy # User: yonggang # Date: Sat Jul 11 23:42:18 2015 # # Input Parameters: DATA DIMCOUNT 4 DATA X_AXIS 128 4809.06 601.13 3930.206 PPM 0.01 DATA Y_AXIS 512 3605.77 601.13 6333.710 PPM 0.01 DATA Z_AXIS 32 3023.21 151.16 8011.652 PPM 0.63 DATA A_AXIS 32 1583.90 60.92 8062.845 PPM 0.08 # HZ_START_X: -1.4PPM HZ_END_X: 6.54PPM # HZ_START_Y: 4.5PPM HZ_END_Y: 10.54PPM # SLICE_START_Z: 0 SLICE_END_Z: 32 # SLICE_START_A: 0 SLICE_END_A: 32 # PK_X_DEV: 10.0, PK_Y_DEV: 10.0; PK_MIN_LEVALS: 2 # MAX_PARAB_XDEV: 36.07, MAX_PARAB_YDEV: 240.45 # MIN_UNIQUE_X: 28.18; MIN_UNIQUE_Y: 5.28; MIN_UNIQUE_Z: 70.86; MIN_UNIQUE_A: 37.12 # FORMAT %4d %3d %3d %7.2f %7.2f %7.2f %7.2f %+8.2e %s %s VARS PkID Sl.A Sl.Z X Y Z A Intensity Assign1 Assign2 8 8 22 0.85 8.57 39.87 126.70 +6.07e+06 I29.CG2,HG2#; V244.N,HN 3 9 22 0.76 8.71 39.88 126.12 +6.48e+06 V32.CG1,HG1#; D246.N,HN 9 13 19 1.28 8.16 41.69 122.62 +5.46e+06 T23.CG2,HG2#; K206.N,HN 14 13 25 1.45 8.17 37.87 122.47 +4.50e+06 A41.CB,HB#; V222.N,HN 2 17 17 0.74 8.43 42.87 119.35 +6.24e+06 L42.CD2,HD2#; A229.N,HN 15 17 30 0.91 8.42 34.86 119.28 +5.21e+06 I29.CD1,HD1#; A229.N,HN 1 18 20 1.15 7.88 41.08 118.61 +6.99e+06 T22.CG2,HG2#; V239.N,HN ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN . 'not observed' 7211.539 Hz . . . 2828.00 . . 30093 5 2 . . N 15 N . folded 1583.899 Hz . . . 7278.86 . . 30093 5 3 . . H 1 H-aliphatic . 'not observed' 4809.062 Hz . . . 2828.00 . . 30093 5 4 . . C 13 C-aliphatic . folded 3023.208 Hz . . . 6121.94 . . 30093 5 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 3 $software_3 . . 30093 5 stop_ save_ save_spectral_peak_list_6 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_6 _Spectral_peak_list.Entry_ID 30093 _Spectral_peak_list.ID 6 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 4 _Spectral_peak_list.Sample_label $sample_4 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID . _Spectral_peak_list.Chem_shift_reference_label . _Spectral_peak_list.Experiment_ID 29 _Spectral_peak_list.Experiment_name '3D 13C edited 1H-13C NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Peak Pick Table, File: c13noesy_combine_v9.PCK # # Input Parameters: DATA DIMCOUNT 3 DATA X_AXIS 256 4027.58 601.13 3817.188 PPM 0.00 DATA Y_AXIS 1024 7211.54 601.13 5409.165 PPM 0.00 DATA Z_AXIS 128 3023.20 151.16 7830.098 PPM 0.00 # FORMAT %4d %4d %9.4f %9.4f %9.4f %+8.2e %10s VARS PkID Sl.Z X Y Z Intensity Assign 1902 1 4.8968 2.3651 51.7710 +1.46e+07 V32.CB,HB; E9.HA 1321 1 0.6680 1.9261 51.7336 +1.74e+07 V7.CB,HB; V7.HG2# 1273 2 0.7488 2.3551 51.7131 +9.20e+07 V32.CB,HB; V32.HG1# 1632 2 -0.0909 1.1853 51.7061 +7.45e+07 V58.CB,HB; V58.HG1# 651 2 3.3187 1.1732 51.7009 +2.78e+07 V58.CB,HB; V58.HA 340 2 4.5197 2.3557 51.6962 +2.96e+07 V32.CB,HB; V32.HA 1631 2 0.2350 1.1818 51.6806 +8.33e+07 V58.CB,HB; V58.HG2# 1154 2 3.2333 1.5698 51.6457 +1.13e+07 V105.CB,HB; V105.HA 106 2 4.8831 2.1105 51.6259 +1.31e+07 E9.CB,HB2; E9.HA 1320 3 -0.0307 1.9051 51.5551 +1.42e+07 V7.CB,HB; V7.HG1# 1157 3 0.3194 1.5675 51.5040 +3.65e+07 V105.CB,HB; V105.HG2# 1155 3 3.6513 1.5690 51.4810 +1.20e+07 V105.CB,HB; L102.HA 1156 3 0.0094 1.5580 51.4721 +2.98e+07 V105.CB,HB; V105.HG1# 2027 4 -0.0680 8.7796 51.3312 +9.32e+06 **** 1040 6 2.0090 3.8142 51.0628 +1.19e+07 P93.CD,HD1|HD2; P93.HG1|HG2 603 8 1.4758 5.3495 50.6607 +4.01e+07 A50.CA,HA; A50.HB# 1606 8 1.5847 5.3498 50.6576 +2.54e+07 A50.CA,HA; L79.HB1|HB2 1257 9 2.2946 2.1188 50.6060 +1.19e+08 Q117.CB,HB1; Q117.HG1|HG2 1607 9 0.8354 5.3482 50.5909 +2.06e+07 A50.CA,HA; L79.HD1#|HD2# 1569 9 0.6788 5.3830 50.5031 +2.28e+07 A46.CA,HA; L74.HD1# 522 9 1.0297 5.3836 50.4727 +3.10e+07 A46.CA,HA; A46.HB# 117 11 4.1445 2.2357 50.3006 +2.16e+07 E11.CB,HB1|HB2; E11.HA 1382 11 2.4850 2.2447 50.2450 +4.69e+07 E11.CB,HB1|HB2; E11.HG1 1234 12 1.2992 4.3371 50.0582 +2.85e+08 T110.CB,HB; T110.HG2# 473 14 3.8791 4.4230 49.7807 +4.63e+07 T43.CB,HB; T43.HA 1255 14 1.2385 4.2805 49.7753 +1.04e+08 T114.CB,HB; T114.HG2# 477 14 1.2116 4.4214 49.7501 +1.67e+08 T43.CB,HB; T43.HG2# 1754 15 4.4988 2.0624 49.6687 +2.22e+07 Q86.CB,HB1; Q86.HA 1096 16 2.3491 2.0683 49.4668 +1.84e+08 E99.CB,HB1; E99.HG1|HG2 1095 16 4.1448 2.0685 49.4635 +5.57e+07 E99.CB,HB1; E99.HA 807 16 4.0529 1.9547 49.4579 +1.96e+07 E72.CB,HB2; E72.HA 921 19 2.9502 1.5549 49.0125 +1.02e+08 K82.CD,HD1|HD2; K82.HE1|HE2 922 19 3.5785 1.5475 49.0071 +1.78e+07 K82.CD,HD1|HD2; K82.HA 923 19 1.1760 1.5511 48.9952 +1.30e+08 K82.CD,HD1|HD2; K82.HG1|HG2 1679 19 2.6003 2.1641 48.9809 +2.28e+07 Q67.CB,HB1|HB2; Q67.HG2 313 19 1.5364 1.3224 48.9383 +2.03e+07 I29.CG1,HG11; I29.HG12 314 19 0.8852 1.3215 48.9351 +2.69e+07 I29.CG1,HG11; I29.HG2# 1514 20 3.9384 1.9867 48.8936 +1.94e+07 E37.CB,HB2; E37.HA 761 20 4.1431 2.1639 48.8643 +3.32e+07 Q67.CB,HB1|HB2; Q67.HA 1191 20 2.1965 4.2507 48.8169 +1.70e+07 T106.CB,HB; Q103.HB1|HB2 764 20 2.4562 2.1584 48.7893 +4.20e+07 Q67.CB,HB1|HB2; Q67.HG1 245 21 3.7518 4.3679 48.7335 +1.25e+07 T23.CB,HB; I20.HA 242 21 4.0244 4.3539 48.7299 +4.03e+07 T23.CB,HB; T23.HA 1187 21 1.2466 4.2401 48.7166 +1.34e+08 T106.CB,HB; T106.HG2# 247 21 1.3091 4.3494 48.7118 +1.31e+08 T23.CB,HB; T23.HG2# 1184 21 3.7802 4.2480 48.6948 +3.21e+07 T106.CB,HB; T106.HA 1185 21 3.9975 4.2406 48.6386 +3.47e+07 T106.CB,HB; Q103.HA 1728 22 0.6598 1.2809 48.5236 +2.15e+07 I78.CG1,HG12; I78.HD1# 560 22 0.8445 1.6020 48.5035 +6.80e+07 L48.CG,HG; L48.HD2# 1520 22 0.7847 1.6915 48.4482 +8.43e+07 L39.CG,HG; L39.HD1# 236 23 1.1455 4.2831 48.4069 +3.88e+07 T22.CB,HB; T22.HG2# 423 23 1.8236 1.6882 48.3995 +3.71e+07 L39.CG,HG; L39.HB1 424 23 1.4789 1.6902 48.3930 +4.48e+07 L39.CG,HG; L39.HB2 421 23 3.7351 1.6875 48.3898 +2.59e+07 L39.CG,HG; L39.HA 559 23 0.7144 1.5900 48.3850 +8.02e+07 L48.CG,HG; L48.HD1# 1519 23 0.9784 1.6930 48.3424 +3.87e+07 L39.CG,HG; V5.HG1# 1586 23 1.0382 1.5965 48.3097 +1.58e+07 L48.CG,HG; A46.HB# 889 24 5.5660 1.6141 48.2774 +1.29e+07 L79.CG,HG; L79.HA 832 24 2.9865 1.5246 48.2421 +1.58e+07 K75.CD,HD2; K75.HE2 139 24 1.2294 4.1361 48.2343 +6.71e+07 T15.CB,HB; T15.HG2# 234 24 4.6842 4.2633 48.1975 +1.05e+07 T22.CB,HB; T22.HA 791 24 3.8856 4.7639 48.1622 +1.09e+07 T70.CB,HB; P71.HD1|HD2 1137 24 2.3984 2.1987 48.1600 +6.45e+07 Q103.CB,HB1|HB2; Q103.HG1 1134 24 3.9840 2.1911 48.1511 +2.64e+07 Q103.CB,HB1|HB2; Q103.HA 1835 24 4.5779 2.1858 48.1481 +1.49e+07 Q103.CB,HB1|HB2; S100.HA 792 25 1.3538 4.7740 48.0878 +4.35e+07 T70.CB,HB; T70.HG2# 129 25 1.0392 3.7061 48.0871 +7.61e+07 T13.CB,HB; T13.HG2# 831 26 4.9387 1.5291 47.9511 +1.17e+07 K75.CD,HD2; K75.HA 1769 26 0.4425 1.4387 47.9174 +1.47e+07 R90.CG,HG2; I92.HD1# 130 26 1.4893 3.7013 47.8865 +1.22e+07 T13.CB,HB; A12.HB# 975 27 4.5551 1.4569 47.7990 +1.32e+07 R90.CG,HG2; R90.HA 974 27 4.5412 1.3910 47.7863 +1.17e+07 R90.CG,HG1; R90.HA 710 27 2.0721 3.2403 47.7858 +1.12e+07 V62.CA,HA; V62.HB 977 27 3.0551 1.3894 47.7845 +1.43e+07 R90.CG,HG1; R90.HD1 979 27 2.8753 1.4391 47.7794 +1.77e+07 R90.CG,HG2; R90.HD2 976 27 3.0409 1.4428 47.7763 +1.92e+07 R90.CG,HG2; R90.HD1 712 27 0.7160 3.2447 47.7309 +5.58e+07 V62.CA,HA; V62.HG2# 711 27 0.9120 3.2512 47.7224 +2.58e+07 V62.CA,HA; V62.HG1# 978 27 2.8708 1.3936 47.6896 +1.65e+07 R90.CG,HG1; R90.HD2 981 27 0.4579 1.3731 47.6758 +1.74e+07 R90.CG,HG1; I92.HD1# 1367 27 0.7458 1.2306 47.6597 +2.30e+07 L6.CG,HG; L6.HD2# 140 28 1.2355 3.4769 47.6126 +2.62e+07 T15.CA,HA; T15.HG2# 696 28 0.8305 1.5641 47.6091 +1.05e+08 L61.CG,HG; L61.HD2# 1017 28 0.4530 1.3646 47.6056 +1.72e+07 I92.CG1,HG11; I92.HD1# 1684 29 3.9520 1.7152 47.4593 +1.25e+07 R68.CG,HG1|HG2; Q64.HA 694 29 4.0258 1.5464 47.4376 +2.11e+07 L61.CG,HG; L61.HA 778 29 2.0954 1.7138 47.4264 +3.39e+07 R68.CG,HG1|HG2; R68.HB1 1530 29 3.1414 1.7136 47.4250 +7.63e+07 R68.CG,HG1|HG2; R68.HD1|HD2 1649 29 3.2948 1.5504 47.4166 +1.15e+07 L61.CG,HG; V58.HA 776 29 4.4735 1.7104 47.3655 +3.30e+07 R68.CG,HG1|HG2; R68.HA 1685 29 2.4738 1.7247 47.3645 +1.37e+07 R68.CG,HG1|HG2; Q67.HG1 1686 30 0.7889 1.7153 47.2550 +6.00e+07 R68.CG,HG1|HG2; L40.HD2# 1037 31 3.8074 2.0441 47.1464 +1.74e+07 P93.CG,HG1|HG2; P93.HD1|HD2 1247 31 4.4051 1.6604 47.1348 +5.08e+07 L112.CG,HG; L112.HA 1038 31 2.2932 2.0223 47.1123 +1.95e+07 P93.CG,HG1|HG2; P93.HB1 1039 31 1.8837 2.0261 47.0984 +1.97e+07 P93.CG,HG1|HG2; P93.HB2 1496 32 1.8307 3.4893 47.0193 +1.84e+07 V36.CA,HA; L39.HB1 1548 32 1.9786 0.8997 47.0187 +1.98e+07 L42.CD1,HD1#; L42.HB1 1831 32 1.2456 1.6208 47.0047 +1.58e+07 L102.CG,HG; T106.HG2# 149 32 0.8637 1.3496 46.9920 +4.38e+07 L16.CG,HG; L16.HD1# 1497 32 1.4743 3.4785 46.9843 +1.80e+07 V36.CA,HA; L39.HB2 148 32 4.0960 1.3434 46.9636 +1.30e+07 L16.CG,HG; L16.HA 1806 32 0.8307 1.0669 46.9580 +2.50e+07 I96.CG1,HG11|HG12; L79.HD1#|HD2# 1324 32 0.9876 3.4923 46.9562 +5.88e+07 V36.CA,HA; V36.HG2# 1302 32 2.0551 3.4916 46.9301 +4.14e+07 V36.CA,HA; V36.HB 1072 32 0.4215 1.0687 46.9116 +3.46e+07 I96.CG1,HG11|HG12; I96.HG2# 1071 32 1.6648 1.0656 46.9101 +1.82e+07 I96.CG1,HG11|HG12; I96.HB 235 32 1.1444 4.7064 46.9032 +3.74e+07 T22.CA,HA; T22.HG2# 1498 32 0.7912 3.4900 46.8969 +7.08e+07 V36.CA,HA; L61.HD1# 1073 32 0.2159 1.0636 46.8917 +3.84e+07 I96.CG1,HG11|HG12; I96.HD1# 1900 32 1.4824 0.8918 46.8880 +3.32e+07 L42.CD1,HD1#; A41.HB# 1192 33 0.7421 3.7766 46.8781 +2.68e+07 T106.CA,HA; L109.HD1# 824 33 4.4641 0.6552 46.8743 +1.80e+07 L74.CD2,HD2#; L74.HA 439 33 3.9202 1.7083 46.8709 +1.17e+07 L40.CG,HG; L40.HA 1093 33 2.0638 3.9538 46.8590 +1.54e+07 P98.CA,HA; P98.HB2 464 33 0.8884 1.8378 46.8447 +4.11e+07 L42.CG,HG; L42.HD1# 468 33 1.8412 0.8932 46.8410 +5.51e+07 L42.CD1,HD1#; L42.HG 828 33 1.1808 0.6479 46.8227 +6.01e+07 L74.CD2,HD2#; L74.HG 466 33 4.0989 0.8984 46.8140 +1.42e+07 L42.CD1,HD1#; L42.HA 465 33 0.7603 1.8272 46.8070 +2.57e+07 L42.CG,HG; L42.HD2# 1188 33 1.2481 3.7749 46.8030 +6.94e+07 T106.CA,HA; T106.HG2# 825 33 2.4932 0.6451 46.7971 +9.82e+06 L74.CD2,HD2#; C69.HB2 1899 33 3.7371 0.8992 46.7898 +1.65e+07 L42.CD1,HD1#; L39.HA 1702 33 1.7360 0.6542 46.7455 +2.03e+07 L74.CD2,HD2#; V47.HB 1186 33 4.2312 3.7753 46.7359 +3.16e+07 T106.CA,HA; T106.HB 1853 33 1.5561 3.7794 46.7302 +1.06e+07 T106.CA,HA; V105.HB 1190 34 1.9600 3.7708 46.7029 +1.34e+07 T106.CA,HA; L109.HG 1534 34 3.9406 0.7941 46.6099 +7.13e+07 L40.CD2,HD2#; L40.HA 426 34 3.7172 0.7802 46.5971 +1.99e+07 L39.CD1,HD1#; L39.HA 599 35 4.8955 0.5786 46.5566 +1.33e+07 L49.CD2,HD2#; L49.HA 1538 35 2.2347 0.7895 46.5286 +1.19e+07 L40.CD2,HD2#; E37.HG1 243 35 4.3518 4.0258 46.5242 +4.22e+07 T23.CA,HA; T23.HB 248 35 1.3104 4.0217 46.5213 +8.32e+07 T23.CA,HA; T23.HG2# 1955 35 0.7530 1.3590 46.5136 +2.97e+07 I45.CG1,HG11|HG12; L109.HD2# 250 35 1.1614 4.0425 46.5135 +1.20e+07 T23.CA,HA; T22.HG2# 1521 35 3.4856 0.7839 46.5110 +6.43e+07 L39.CD1,HD1#; V36.HA 1525 35 0.6474 0.7867 46.4975 +1.76e+08 L39.CD1,HD1#; V7.HG2# 1524 35 0.9927 0.7854 46.4949 +1.42e+08 L39.CD1,HD1#; V36.HG2# 451 35 2.0443 0.7903 46.4940 +5.23e+07 L40.CD2,HD2#; R68.HB1 246 35 3.7354 4.0307 46.4875 +1.00e+07 T23.CA,HA; I20.HA 503 35 2.1425 1.3640 46.4759 +1.26e+07 I45.CG1,HG11|HG12; I45.HB 1215 35 4.3674 1.9502 46.4728 +9.98e+06 L109.CG,HG; L109.HA 508 35 1.0409 1.3682 46.4582 +4.22e+07 I45.CG1,HG11|HG12; I45.HD1# 1675 35 0.7570 1.9607 46.4571 +5.71e+07 L65.CG,HG; L65.HD1# 73 35 1.3684 1.0307 46.4546 +1.14e+07 L6.CB,HB2; L48.HB2 601 35 -0.0859 0.5748 46.4454 +3.46e+07 L49.CD2,HD2#; V58.HG1# 1747 35 1.0536 0.8417 46.4266 +1.15e+08 L79.CD1|CD2,HD1#|HD2#; I96.HG11|HG12 509 35 1.1743 1.3719 46.4203 +1.83e+07 I45.CG1,HG11|HG12; I45.HG2# 1604 35 1.5357 0.5748 46.4201 +5.45e+07 L49.CD2,HD2#; L49.HG 602 36 0.2438 0.5767 46.3848 +5.03e+07 L49.CD2,HD2#; L6.HD1# 593 36 0.5814 1.5152 46.3834 +3.53e+07 L49.CG,HG; L49.HD2# 1536 36 3.1539 0.7953 46.3830 +4.03e+07 L40.CD2,HD2#; R68.HD1|HD2 600 36 2.0308 0.5825 46.3828 +1.44e+07 L49.CD2,HD2#; L49.HB1 1326 36 0.7166 3.1020 46.3669 +3.65e+07 I17.CA,HA; I17.HG2# 1595 36 0.4272 0.8387 46.3428 +2.91e+08 L79.CD1|CD2,HD1#|HD2#; I96.HG2# 1327 36 0.4026 3.1051 46.3331 +1.64e+07 I17.CA,HA; I17.HD1# 1596 36 0.2241 0.8423 46.3286 +2.19e+08 L79.CD1|CD2,HD1#|HD2#; I96.HD1# 891 36 5.5585 0.8379 46.3276 +5.72e+07 L79.CD1|CD2,HD1#|HD2#; L79.HA 1216 36 0.8296 1.9451 46.3129 +6.57e+07 L65.CG,HG; L61.HD2# 1605 36 3.3366 0.5801 46.2976 +9.39e+06 L49.CD2,HD2#; V58.HA 1597 36 0.0067 0.8367 46.2850 +4.55e+07 L48.CD2,HD2#; V105.HG1# 1397 36 1.0595 3.1001 46.2837 +1.20e+07 I17.CA,HA; I20.HG2# 1970 36 1.5906 0.8412 46.2561 +2.02e+08 L48.CD2,HD2#; L48.HG 1625 37 1.5834 3.3159 46.2419 +1.67e+07 V58.CA,HA; L49.HB2 1742 37 5.3353 0.8350 46.2251 +2.57e+07 L79.CD1|CD2,HD1#|HD2#; A50.HA 645 37 1.1870 3.3205 46.1839 +2.97e+07 V58.CA,HA; V58.HB 1991 37 5.1167 0.8435 46.1553 +2.39e+07 L79.CD1|CD2,HD1#|HD2#; L48.HA 1628 37 0.6833 3.3258 46.1541 +1.61e+07 V58.CA,HA; V62.HG2# 1842 37 0.7402 3.2376 46.1461 +1.45e+07 V105.CA,HA; L109.HD1# 650 37 0.2406 3.3195 46.1428 +5.55e+07 V58.CA,HA; V58.HG2# 649 37 -0.0859 3.3159 46.1337 +3.79e+07 V58.CA,HA; V58.HG1# 1150 38 0.3210 3.2341 46.0731 +4.96e+07 V105.CA,HA; V105.HG2# 1149 38 0.0085 3.2320 46.0482 +4.44e+07 V105.CA,HA; V105.HG1# 1148 38 1.5600 3.2406 46.0462 +1.71e+07 V105.CA,HA; V105.HB 1372 38 1.4523 0.2569 46.0406 +2.15e+07 L6.CD1,HD1#; A50.HB# 1843 38 0.4555 3.2418 46.0270 +1.51e+07 V105.CA,HA; I92.HD1# 1790 38 3.7316 0.8896 46.0259 +4.03e+07 L94.CD1,HD1#; G80.HA2 1792 38 1.4888 0.8923 46.0206 +1.40e+08 L94.CD1,HD1#; L94.HG 333 38 4.8055 0.8462 46.0189 +1.55e+07 L31.CD2,HD2#; L31.HA 1046 38 0.2314 0.8971 46.0187 +2.84e+07 L94.CD1,HD1#; I96.HD1# 62 38 1.2083 0.2523 46.0149 +4.09e+07 L6.CD1,HD1#; L6.HG 1371 38 1.6147 0.2579 46.0140 +2.99e+07 L6.CD1,HD1#; L6.HB1 1368 38 3.3739 0.2538 46.0087 +3.57e+07 L6.CD1,HD1#; S8.HB2 1373 38 0.9922 0.2549 46.0037 +4.93e+07 L6.CD1,HD1#; L6.HB2 1217 38 4.3784 0.7271 46.0033 +2.28e+07 L109.CD1,HD1#; L109.HA 1374 38 0.4047 0.2540 46.0000 +4.24e+07 L6.CD1,HD1#; I17.HD1# 1627 38 0.8180 3.3166 45.9957 +2.60e+07 V58.CA,HA; L61.HD2# 1745 38 3.7307 0.8464 45.9862 +3.15e+07 L79.CD1|CD2,HD1#|HD2#; G80.HA2 1789 38 4.4252 0.8952 45.9749 +4.24e+07 L94.CD1,HD1#; P95.HA 1861 38 1.9560 0.7245 45.9425 +1.02e+08 L109.CD1,HD1#; L109.HG 1370 39 2.7046 0.2478 45.8737 +1.83e+07 L6.CD1,HD1#; F77.HB2 1587 39 2.7150 0.6995 45.8662 +1.88e+07 L48.CD1,HD1#; F77.HB2 813 39 0.6463 1.3201 45.8635 +1.59e+07 L74.CB,HB1; L74.HD2# 1862 39 0.1373 0.7136 45.8589 +1.54e+08 L48.CD1,HD1#; I4.HD1# 1863 39 0.0040 0.7079 45.8463 +1.17e+08 L109.CD1,HD1#; V105.HG1# 562 39 5.1004 0.7082 45.8306 +4.12e+07 L48.CD1,HD1#; L48.HA 160 39 1.3343 0.7566 45.7946 +7.42e+07 L16.CD2,HD2#; L16.HG 568 40 1.5877 0.7117 45.7599 +2.25e+08 L48.CD1,HD1#; L48.HG 1394 40 0.4172 0.7585 45.7384 +1.21e+08 L16.CD2,HD2#; I17.HD1# 1329 40 1.0540 3.7136 45.6980 +7.38e+07 T13.CA,HA; T13.HG2# 433 41 3.7297 0.7587 45.6086 +6.54e+07 L39.CD2,HD2#; L39.HA 1526 41 2.2165 0.7678 45.5867 +1.89e+07 L39.CD2,HD2#; P44.HB1 2025 41 1.6606 0.9557 45.5386 +5.15e+08 L102.CD1,HD1#; A24.HB# 1974 41 0.2403 0.7862 45.5337 +1.36e+08 L61.CD1,HD1#; V58.HG2# 1395 41 1.7124 0.7619 45.5181 +2.24e+08 L39.CD2,HD2#; L39.HG 1120 42 3.6480 0.9633 45.4682 +3.56e+07 L102.CD1,HD1#; L102.HA 1653 42 -0.0127 0.7857 45.4511 +4.00e+07 L39.CD2,HD2#; V7.HG1# 1527 42 0.9838 0.7607 45.4260 +2.67e+08 L39.CD2,HD2#; V5.HG2# 1651 42 2.0556 0.7921 45.4204 +3.64e+07 L61.CD1,HD1#; Q64.HB2 1650 42 3.3643 0.7893 45.3990 +3.51e+07 L61.CD1,HD1#; G34.HA2 1406 43 0.9544 3.8942 45.1616 +3.80e+07 C18.CA,HA; V28.HG2# 1407 44 0.7162 3.8918 45.1223 +1.16e+07 C18.CA,HA; I17.HG2# 799 44 2.1908 4.5064 45.0619 +1.67e+07 P71.CA,HA; P71.HG2 800 44 1.8695 4.4996 45.0349 +3.07e+07 P71.CA,HA; P71.HB2 798 44 2.6835 4.4921 45.0035 +2.98e+07 P71.CA,HA; P71.HB1 910 46 3.5832 1.1699 44.7049 +3.71e+07 K82.CG,HG1|HG2; K82.HA 918 47 1.6628 1.1660 44.6796 +5.07e+07 K82.CG,HG1|HG2; K82.HB1 911 47 2.9533 1.1674 44.6504 +7.20e+07 K82.CG,HG1|HG2; K82.HE1|HE2 1599 47 5.0723 0.7100 44.6408 +1.82e+07 L49.CD1,HD1#; I78.HA 1603 47 -0.0154 0.7087 44.5752 +5.84e+07 L49.CD1,HD1#; V7.HG1# 591 47 4.8867 0.7074 44.5691 +4.80e+07 L49.CD1,HD1#; L49.HA 1600 47 1.9337 0.7066 44.5688 +5.29e+07 L49.CD1,HD1#; V7.HB 1602 47 0.2469 0.7103 44.5503 +7.85e+07 L49.CD1,HD1#; V58.HG2# 364 47 4.7484 2.5786 44.5439 +2.11e+07 D33.CB,HB1|HB2; D33.HA 1601 48 1.5414 0.7046 44.5287 +6.89e+07 L49.CD1,HD1#; L49.HG 1655 48 -0.0460 0.8332 44.4995 +2.90e+07 L61.CD2,HD2#; V7.HG1# 1660 48 3.4667 0.8353 44.4765 +2.89e+07 L61.CD2,HD2#; V36.HA 1797 48 2.3654 1.8762 44.4594 +1.41e+07 P95.CG,HG2; P95.HB1 706 48 1.5597 0.8388 44.4475 +1.43e+08 L61.CD2,HD2#; L61.HG 1658 48 2.0418 0.8396 44.4455 +6.91e+07 L61.CD2,HD2#; L49.HB1 701 48 4.0309 0.8383 44.4415 +1.05e+08 L61.CD2,HD2#; L61.HA 1659 48 3.3331 0.8430 44.4387 +4.16e+07 L61.CD2,HD2#; V58.HA 1654 48 0.2456 0.8398 44.4367 +1.18e+08 L61.CD2,HD2#; V58.HG2# 1701 49 0.8224 0.6688 44.3589 +3.18e+08 L74.CD1,HD1#; V47.HG2# 816 49 5.3786 0.6645 44.3458 +3.37e+07 L74.CD1,HD1#; A46.HA 1656 49 0.9912 0.8395 44.3403 +1.75e+08 L61.CD2,HD2#; V36.HG2# 1696 49 4.6548 0.6641 44.3382 +3.35e+07 L74.CD1,HD1#; I45.HA 818 49 3.8736 0.6560 44.3319 +1.73e+07 L74.CD1,HD1#; T43.HA 1698 49 1.7347 0.6646 44.3234 +6.28e+07 L74.CD1,HD1#; P44.HB2 814 49 4.4664 0.6630 44.3028 +1.09e+08 L74.CD1,HD1#; L74.HA 1700 49 1.0086 0.6653 44.2983 +7.69e+07 L74.CD1,HD1#; A46.HB# 1697 49 2.1852 0.6667 44.2907 +2.01e+07 L74.CD1,HD1#; P44.HB1 821 49 1.1920 0.6653 44.2895 +1.05e+08 L74.CD1,HD1#; L74.HG 1467 49 1.1682 0.9362 44.2426 +2.11e+07 V28.CG2,HG2#; L21.HB2 1468 50 5.0627 0.9236 44.1745 +3.18e+07 V28.CG2,HG2#; V28.HA 295 50 1.9960 0.9260 44.1084 +9.40e+07 V28.CG2,HG2#; V28.HB 1465 50 0.5898 0.9250 44.0964 +7.31e+07 V28.CG2,HG2#; I4.HG2# 1469 50 3.8959 0.9307 44.0830 +4.12e+07 V28.CG2,HG2#; C18.HA 1464 51 0.4168 0.9245 44.0191 +2.09e+07 V28.CG2,HG2#; I17.HD1# 1466 51 0.7203 0.9235 44.0127 +1.50e+08 V28.CG2,HG2#; I17.HG2# 1317 51 5.1469 0.7273 44.0096 +1.97e+07 L6.CD2,HD2#; L6.HA 1375 51 3.3822 0.7423 43.9678 +1.62e+07 L6.CD2,HD2#; S8.HB2 66 51 1.2225 0.7385 43.9674 +4.15e+07 L6.CD2,HD2#; L6.HG 726 51 0.2518 0.7399 43.9550 +1.16e+08 L6.CD2,HD2#; L6.HD1# 332 51 4.7972 0.8079 43.9284 +6.39e+07 L31.CD1,HD1#; L31.HA 68 51 0.4119 0.7417 43.9238 +5.15e+07 L6.CD2,HD2#; I17.HD1# 1463 52 0.1492 0.9168 43.8702 +3.91e+07 V28.CG2,HG2#; I4.HD1# 1909 52 3.6307 0.8735 43.8312 +8.43e+07 L102.CD2,HD2#; L102.HA 1127 52 0.0150 0.8716 43.8231 +5.04e+07 L102.CD2,HD2#; V105.HG1# 1126 52 3.6307 0.8735 43.7554 +8.43e+07 L102.CD2,HD2#; L102.HA 1248 53 4.4078 0.8884 43.7279 +4.14e+08 L112.CD1,HD1#; L112.HA 748 53 3.9665 0.7644 43.6951 +1.00e+08 L65.CD1,HD1#; L65.HA 1250 53 2.9834 0.8831 43.6686 +3.04e+07 L112.CD1,HD1#; K75.HE2 1795 54 0.4273 0.8411 43.5745 +1.11e+08 L94.CD2,HD2#; I96.HG2# 1047 54 4.3084 0.8335 43.5708 +1.16e+08 L94.CD2,HD2#; L94.HA 1667 54 3.8147 0.7002 43.5674 +2.90e+07 V62.CG2,HG2#; Q59.HA 714 54 3.2510 0.7039 43.5645 +6.38e+07 V62.CG2,HG2#; V62.HA 1794 54 0.2186 0.8341 43.5627 +1.12e+08 L94.CD2,HD2#; I96.HD1# 1669 54 0.4662 0.7049 43.5618 +6.92e+07 V62.CG2,HG2#; V88.HG1# 719 54 2.0642 0.7063 43.5603 +8.60e+07 V62.CG2,HG2#; V62.HB 1670 54 -0.0857 0.7034 43.5515 +8.42e+07 V62.CG2,HG2#; V58.HG1# 1793 54 1.0491 0.8319 43.5505 +1.64e+08 L94.CD2,HD2#; I96.HG11|HG12 1868 55 1.9629 0.7753 43.3610 +1.20e+08 L109.CD2,HD2#; L109.HG 1870 55 1.0246 0.7759 43.3161 +2.47e+08 L109.CD2,HD2#; I45.HD1# 1223 56 4.3776 0.7762 43.2747 +1.33e+08 L109.CD2,HD2#; L109.HA 1867 56 2.9724 0.7719 43.2697 +2.34e+07 L109.CD2,HD2#; K75.HE2 1872 56 0.3162 0.7754 43.2655 +1.03e+08 L109.CD2,HD2#; V105.HG2# 1866 56 3.7594 0.7748 43.2583 +1.85e+07 L109.CD2,HD2#; T106.HA 1871 56 0.1468 0.7770 43.2441 +5.89e+07 L109.CD2,HD2#; I4.HD1# 150 56 4.1012 0.8637 43.2286 +2.07e+08 L16.CD1,HD1#; L16.HA 1676 56 4.3776 0.7762 43.2062 +1.33e+08 L109.CD2,HD2#; L109.HA 152 56 1.3449 0.8637 43.1988 +1.26e+08 L16.CD1,HD1#; L16.HG 1031 57 3.7978 4.5724 43.1077 +1.08e+07 P93.CA,HA; P93.HD1|HD2 156 57 0.2226 0.8704 43.1005 +5.93e+07 L16.CD1,HD1#; I96.HD1# 463 57 4.1047 1.9945 43.0911 +1.02e+07 L42.CB,HB1; L42.HA 1034 57 1.8780 4.5922 43.0337 +3.28e+07 P93.CA,HA; P93.HB2 540 57 1.7565 0.8549 43.0201 +1.69e+08 V47.CG1,HG1#; V47.HB 1032 57 2.2988 4.5856 42.9983 +4.08e+07 P93.CA,HA; P93.HB1 1533 57 1.7152 0.7735 42.9827 +1.94e+08 L40.CD1,HD1#; L40.HG 1510 58 2.2635 0.9884 42.9656 +4.61e+07 V36.CG2,HG2#; E60.HG2 538 58 5.0328 0.8513 42.9565 +3.13e+07 V47.CG1,HG1#; V47.HA 1033 58 2.0341 4.5867 42.9490 +2.72e+07 P93.CA,HA; P93.HG1|HG2 1531 58 3.9340 0.7725 42.9471 +1.93e+08 L40.CD1,HD1#; L40.HA 378 58 3.4894 0.9896 42.9308 +1.29e+08 V36.CG2,HG2#; V36.HA 1511 58 1.6975 0.9903 42.9299 +7.11e+07 V36.CG2,HG2#; L39.HG 1459 58 2.7146 0.9868 42.9175 +4.47e+07 V28.CG1,HG1#; W30.HB2 1518 58 0.7743 1.8544 42.9161 +4.48e+07 L39.CB,HB1; L39.HD1# 1508 58 2.4279 0.9867 42.9113 +3.07e+07 V36.CG2,HG2#; Q64.HG2 1687 58 2.1524 3.1468 42.9005 +1.18e+07 R68.CD,HD1|HD2; Q67.HB1|HB2 774 58 0.7994 3.1554 42.8945 +2.50e+07 R68.CD,HD1|HD2; L40.HD2# 1576 58 5.4013 0.8534 42.8931 +1.34e+07 V47.CG1,HG1#; V5.HA 1786 58 0.8468 4.5982 42.8927 +1.09e+07 P93.CA,HA; L94.HD2# 773 58 1.7170 3.1534 42.8885 +4.43e+07 R68.CD,HD1|HD2; R68.HG1|HG2 394 58 2.0359 0.9890 42.8873 +3.35e+08 V36.CG2,HG2#; V36.HB 1389 58 0.7344 3.3777 42.8707 +1.59e+07 S14.CA,HA; I17.HG2# 1532 58 3.1489 0.7728 42.8604 +4.00e+07 L40.CD1,HD1#; R68.HD1|HD2 1517 58 0.8002 1.4693 42.8590 +3.22e+07 L39.CB,HB2; L39.HD1# 1512 58 1.5428 0.9877 42.8579 +7.22e+07 V28.CG1,HG1#; I4.HB 185 58 4.4062 4.0879 42.8554 +1.26e+07 S19.CB,HB1|HB2; S19.HA 388 58 3.1427 0.9730 42.8531 +2.67e+07 V28.CG1,HG1#; C18.HB1 1390 59 0.4130 3.3819 42.8065 +1.04e+07 S14.CA,HA; I17.HD1# 1458 59 3.9293 0.9853 42.7992 +7.22e+07 V28.CG1,HG1#; C18.HA 1850 59 0.4559 0.0085 42.7926 +1.48e+08 V105.CG1,HG1#; I92.HD1# 471 59 4.1037 0.7517 42.7924 +1.12e+08 L42.CD2,HD2#; L42.HA 1846 59 1.0216 0.0086 42.7916 +4.26e+07 V105.CG1,HG1#; A46.HB# 1848 59 0.7140 0.0079 42.7858 +1.82e+08 V105.CG1,HG1#; L21.HD2# 1847 59 0.8504 0.0085 42.7812 +6.75e+07 V105.CG1,HG1#; L48.HD2# 1162 59 1.5599 0.0087 42.7773 +1.19e+08 V105.CG1,HG1#; V105.HB 1159 59 3.2322 0.0089 42.7772 +1.09e+08 V105.CG1,HG1#; V105.HA 771 59 4.5024 3.1446 42.7758 +1.36e+07 R68.CD,HD1|HD2; R68.HA 1849 59 0.5821 0.0096 42.7620 +6.77e+07 V105.CG1,HG1#; I4.HG2# 1388 59 1.0550 3.3767 42.7614 +1.21e+07 S14.CA,HA; T13.HG2# 1165 59 1.2271 0.0096 42.7611 +2.02e+07 V105.CG1,HG1#; T106.HG2# 1245 59 4.4073 1.6565 42.7566 +9.28e+07 L112.CB,HB1|HB2; L112.HA 1246 59 0.9466 1.6545 42.7545 +1.07e+08 L112.CB,HB1|HB2; L112.HD2# 1461 59 0.1400 0.9759 42.7242 +2.93e+07 V28.CG1,HG1#; I4.HD1# 1161 59 4.2277 0.0032 42.7229 +1.58e+07 V105.CG1,HG1#; T106.HB 1844 59 1.8823 0.0135 42.7178 +1.59e+07 V105.CG1,HG1#; Q104.HB2 1901 59 3.0476 0.7506 42.7023 +2.26e+07 L42.CD2,HD2#; R3.HD2 285 59 5.0851 0.9847 42.6981 +4.76e+07 V28.CG1,HG1#; V28.HA 658 60 1.1852 0.2372 42.6551 +1.78e+08 V58.CG2,HG2#; V58.HB 524 60 5.3809 1.0290 42.6548 +7.07e+07 A46.CB,HB#; A46.HA 1642 60 0.6378 0.2357 42.6533 +1.65e+08 V58.CG2,HG2#; I78.HD1# 1231 60 1.2987 4.3740 42.6373 +2.12e+08 T110.CA,HA; T110.HG2# 531 60 1.3146 1.0236 42.6260 +3.67e+07 V5.CG1,HG1#; I29.HG11 1160 60 3.6354 0.0036 42.6198 +2.25e+07 V105.CG1,HG1#; L102.HA 525 60 4.6630 1.0233 42.6197 +1.76e+07 A46.CB,HB#; I4.HA 652 60 3.3177 0.2364 42.6120 +1.08e+08 V58.CG2,HG2#; V58.HA 665 60 3.1535 0.2391 42.6014 +2.67e+07 V58.CG2,HG2#; F53.HB1 1572 60 0.1390 1.0309 42.5977 +7.78e+07 A46.CB,HB#; I4.HD1# 533 60 1.1829 1.0336 42.5738 +1.86e+07 A46.CB,HB#; I45.HG2# 1639 60 2.9661 0.2339 42.5730 +1.93e+07 V58.CG2,HG2#; F53.HB2 484 60 1.0164 4.5644 42.5526 +1.20e+07 P44.CA,HA; A46.HB# 51 60 1.8290 0.9926 42.5160 +9.22e+07 V5.CG1,HG1#; V5.HB 1640 61 1.6046 0.2320 42.4694 +3.61e+07 V58.CG2,HG2#; L49.HB2 55 61 1.8333 0.9886 42.4652 +9.44e+07 V5.CG2,HG2#; V5.HB 52 61 5.4098 0.9876 42.4105 +4.21e+07 V5.CG2,HG2#; V5.HA 966 62 2.6858 0.7269 42.2811 +2.33e+07 V88.CG2,HG2#; Y85.HB2 965 62 2.9043 0.7173 42.2321 +1.69e+07 V88.CG2,HG2#; Y85.HB1 967 62 1.9079 0.7262 42.2117 +1.05e+08 V88.CG2,HG2#; V88.HB 964 63 3.7920 0.7262 42.1806 +6.54e+07 V88.CG2,HG2#; V88.HA 1765 63 1.6371 0.7261 42.1581 +1.88e+07 V88.CG2,HG2#; I76.HB 1365 63 1.7254 0.9734 42.1546 +7.70e+07 V5.CG2,HG2#; P44.HB2 1759 63 4.6158 0.4486 42.1545 +1.98e+07 V88.CG1,HG1#; I76.HA 1761 63 1.5959 0.4556 42.1323 +1.90e+07 V88.CG1,HG1#; L49.HB2 1758 63 5.6904 0.4560 42.1165 +1.40e+07 V88.CG1,HG1#; F77.HA 970 63 -0.0971 0.7189 42.1057 +2.06e+07 V88.CG2,HG2#; V58.HG1# 1762 63 0.9236 0.4569 42.0910 +3.39e+07 V88.CG1,HG1#; V62.HG1# 951 63 3.7923 0.4536 42.0842 +5.37e+07 V88.CG1,HG1#; V88.HA 955 63 1.9095 0.4510 42.0840 +1.15e+08 V88.CG1,HG1#; V88.HB 1385 63 0.8270 1.0363 42.0784 +2.12e+08 T13.CG2,HG2#; L79.HD1#|HD2# 956 63 1.7441 0.4524 42.0767 +3.07e+07 V88.CG1,HG1#; I78.HB 958 63 1.3192 0.4519 42.0422 +5.37e+07 V88.CG1,HG1#; I78.HG11 946 63 0.4571 3.7946 42.0401 +2.90e+07 V88.CA,HA; V88.HG1# 184 64 4.0639 4.4109 42.0343 +4.01e+07 S19.CA,HA; S19.HB1|HB2 131 64 3.3408 1.0416 42.0330 +1.53e+07 T13.CG2,HG2#; S14.HA 1384 64 3.7086 1.0395 42.0227 +2.87e+08 T13.CG2,HG2#; T13.HB 1386 64 0.4106 1.0398 42.0181 +1.55e+08 T13.CG2,HG2#; I17.HD1# 1764 64 -0.0929 0.4450 42.0170 +1.63e+07 V88.CG1,HG1#; V58.HG1# 1387 64 0.2204 1.0385 42.0115 +1.14e+08 T13.CG2,HG2#; I96.HD1# 1760 64 2.6832 0.4515 42.0025 +1.34e+07 V88.CG1,HG1#; Y85.HB2 1757 64 1.6497 3.7849 42.0016 +1.08e+07 V88.CA,HA; I76.HB 947 64 0.7157 3.7954 41.9932 +5.78e+07 V88.CA,HA; V88.HG2# 487 64 1.1797 4.6701 41.9689 +7.05e+07 I45.CA,HA; I45.HG2# 1104 64 2.9399 4.2683 41.9570 +2.17e+07 F101.CA,HA; F101.HB2 488 64 1.0341 4.6695 41.9545 +2.15e+07 I45.CA,HA; I45.HD1# 1825 64 1.6083 4.2706 41.9510 +1.46e+07 F101.CA,HA; L79.HG 1824 64 1.0530 4.2658 41.9351 +1.45e+07 F101.CA,HA; I92.HG2# 489 64 1.3809 4.6560 41.9344 +1.30e+07 I45.CA,HA; I45.HG11|HG12 1432 64 1.5514 0.5690 41.9283 +2.05e+07 L21.CD1,HD1#; V105.HB 1437 64 0.1378 0.5756 41.9198 +6.29e+07 L21.CD1,HD1#; I4.HD1# 485 64 2.1273 4.6711 41.9156 +4.08e+07 I45.CA,HA; I45.HB 1433 64 1.0907 0.5733 41.9092 +5.17e+07 L21.CD1,HD1#; I20.HG2# 1555 64 4.5211 4.6687 41.9070 +1.11e+07 I45.CA,HA; P44.HA 1430 64 1.9329 0.5767 41.8983 +4.81e+07 L21.CD1,HD1#; L21.HG 1436 64 0.3226 0.5736 41.8983 +7.78e+07 L21.CD1,HD1#; V105.HG2# 217 64 4.2356 0.5756 41.8962 +6.22e+07 L21.CD1,HD1#; L21.HA 943 64 1.9179 3.7799 41.8937 +1.04e+07 V88.CA,HA; V88.HB 1435 65 0.8845 0.5763 41.8777 +1.18e+08 L21.CD1,HD1#; I4.HG11 1826 65 0.4365 4.2691 41.8647 +2.88e+07 F101.CA,HA; I92.HD1# 251 65 4.0231 1.3090 41.8628 +1.94e+08 T23.CG2,HG2#; T23.HA 1438 65 0.0077 0.5768 41.8584 +5.54e+07 L21.CD1,HD1#; V105.HG1# 2010 65 1.5176 4.4148 41.8518 +2.18e+07 P95.CA,HA; L94.HG 1103 65 3.4152 4.2783 41.8350 +1.52e+07 F101.CA,HA; F101.HB1 349 65 4.5175 0.7253 41.8332 +9.48e+07 V32.CG2,HG2#; V32.HA 793 65 3.8934 1.3498 41.8310 +4.89e+07 T70.CG2,HG2#; P71.HD1|HD2 693 65 4.0567 1.7021 41.8307 +1.24e+07 L61.CB,HB1; L61.HA 1951 65 0.6555 4.6765 41.8120 +1.79e+07 I45.CA,HA; L74.HD1# 352 65 2.3627 0.7255 41.8118 +1.48e+08 V32.CG2,HG2#; V32.HB 1491 65 4.8878 0.7256 41.7854 +4.06e+07 V32.CG2,HG2#; E9.HA 794 65 2.3482 1.3525 41.7752 +2.99e+07 T70.CG2,HG2#; E72.HG2 1666 66 -0.0952 0.9186 41.7210 +2.02e+07 V62.CG1,HG1#; V58.HG1# 1049 66 0.8431 4.4190 41.7013 +3.15e+07 P95.CA,HA; L94.HD2# 1665 66 0.4634 0.9209 41.6906 +4.10e+07 V62.CG1,HG1#; V88.HG1# 1611 66 3.8742 1.4658 41.6903 +2.86e+07 A50.CB,HB#; S8.HB1 1609 66 0.4183 1.4658 41.6868 +1.94e+07 A50.CB,HB#; I96.HG2# 1664 66 1.7917 0.9211 41.6853 +1.94e+07 V62.CG1,HG1#; R66.HB2 607 66 5.3424 1.4654 41.6796 +8.29e+07 A50.CB,HB#; A50.HA 713 66 3.2509 0.9179 41.6796 +5.77e+07 V62.CG1,HG1#; V62.HA 1662 66 4.0762 0.9225 41.6711 +2.24e+07 V62.CG1,HG1#; G87.HA1 718 66 2.0727 0.9164 41.6706 +8.24e+07 V62.CG1,HG1#; V62.HB 1663 66 3.7863 0.9193 41.6695 +3.79e+07 V62.CG1,HG1#; V88.HA 616 66 0.8411 1.4675 41.6623 +1.87e+08 A50.CB,HB#; L79.HD1#|HD2# 608 66 4.7780 1.4639 41.6608 +4.09e+07 A50.CB,HB#; S8.HA 1608 66 0.2380 1.4667 41.6570 +4.07e+07 A50.CB,HB#; L6.HD1# 144 66 3.4918 1.2301 41.6392 +1.14e+08 T15.CG2,HG2#; T15.HA 1610 66 3.3844 1.4626 41.6378 +3.04e+07 A50.CB,HB#; S8.HB2 1195 66 3.7676 1.2413 41.6112 +1.66e+08 T106.CG2,HG2#; T106.HA 548 66 1.7471 0.8175 41.5985 +1.14e+08 V47.CG2,HG2#; V47.HB 1582 66 0.9789 0.8196 41.5954 +7.63e+07 V47.CG2,HG2#; V5.HG2# 1580 66 1.5807 0.8168 41.5934 +4.69e+07 V47.CG2,HG2#; P44.HG2 543 66 5.0265 0.8165 41.5816 +3.69e+07 V47.CG2,HG2#; V47.HA 1581 66 1.5119 0.8123 41.5681 +4.93e+07 V47.CG2,HG2#; L49.HG 545 67 4.5930 0.8217 41.5322 +1.40e+07 V47.CG2,HG2#; I76.HA 1256 67 1.2377 4.3856 41.5281 +8.92e+07 T114.CA,HA; T114.HG2# 145 67 4.1488 1.2353 41.5256 +2.95e+08 T15.CG2,HG2#; T15.HB 1196 67 4.2393 1.2412 41.5151 +4.33e+08 T106.CG2,HG2#; T106.HB 1873 67 4.3508 1.3010 41.4542 +9.17e+08 T110.CG2,HG2#; T110.HB 1332 68 0.9495 5.0900 41.3962 +3.31e+07 V28.CA,HA; V28.HG2# 12 69 0.7188 1.5269 41.2049 +1.92e+07 I4.CB,HB; L48.HD1# 481 69 4.4168 1.2136 41.1865 +4.88e+08 T43.CG2,HG2#; T43.HB 85 69 3.3633 0.6638 41.1806 +1.28e+07 V7.CG2,HG2#; G34.HA2 480 69 3.8844 1.2149 41.1667 +1.76e+08 T43.CG2,HG2#; T43.HA 11 69 0.5966 1.5299 41.1199 +3.33e+07 I4.CB,HB; I4.HG2# 78 69 5.0733 0.6459 41.1083 +4.41e+07 V7.CG2,HG2#; V7.HA 93 70 0.7988 0.6447 41.0967 +2.44e+08 V7.CG2,HG2#; L39.HD1# 92 70 0.9763 0.6448 41.0960 +7.86e+07 V7.CG2,HG2#; V5.HG1# 1310 70 0.9332 1.5207 41.0916 +2.59e+07 I4.CB,HB; I4.HG11 87 70 1.9167 0.6453 41.0821 +4.10e+07 V7.CG2,HG2#; V7.HB 88 70 1.7288 0.6441 41.0618 +4.20e+07 V7.CG2,HG2#; L31.HB2 10 70 0.1380 1.5233 41.0509 +1.75e+07 I4.CB,HB; I4.HD1# 96 70 0.2634 0.6465 41.0402 +1.75e+07 V7.CG2,HG2#; L6.HD1# 1504 70 1.7163 0.8662 40.9512 +8.21e+07 V36.CG1,HG1#; R68.HG1|HG2 1503 70 2.2888 0.8681 40.9502 +8.80e+07 V36.CG1,HG1#; Q64.HB1 1501 71 3.1451 0.8658 40.9319 +5.90e+07 V36.CG1,HG1#; R68.HD1|HD2 1318 71 -0.0081 5.0765 40.9282 +2.42e+07 V7.CA,HA; V7.HG1# 395 71 2.0433 0.8674 40.9253 +2.90e+08 V36.CG1,HG1#; V36.HB 237 71 4.2802 1.1477 40.9141 +1.11e+08 T22.CG2,HG2#; T22.HB 379 71 3.4883 0.8673 40.9121 +8.85e+07 V36.CG1,HG1#; V36.HA 1500 71 3.9496 0.8686 40.8970 +9.60e+07 V36.CG1,HG1#; E37.HA 238 71 4.6977 1.1464 40.8874 +8.89e+07 T22.CG2,HG2#; T22.HA 1499 71 4.3094 0.8669 40.8869 +1.96e+07 V36.CG1,HG1#; E35.HA 1502 71 2.4544 0.8703 40.8814 +3.33e+07 V36.CG1,HG1#; Q64.HG2 239 71 4.0270 1.1466 40.8361 +2.51e+07 T22.CG2,HG2#; T23.HA 1879 71 0.7117 4.6049 40.8320 +2.63e+07 I76.CA,HA; I76.HG2# 478 72 1.2120 3.8758 40.7818 +7.26e+07 T43.CA,HA; T43.HG2# 1319 72 0.6521 5.0736 40.7784 +2.16e+07 V7.CA,HA; V7.HG2# 474 72 4.4212 3.8786 40.7597 +5.86e+07 T43.CA,HA; T43.HB 1693 72 1.9106 4.8346 40.6609 +1.17e+07 T70.CA,HA; P71.HG1 1018 72 0.4576 1.8632 40.6401 +1.60e+07 I92.CB,HB; I92.HD1# 1025 72 1.0501 1.8678 40.6383 +2.36e+07 I92.CB,HB; I92.HG2# 1553 72 3.4546 3.8817 40.6316 +1.37e+07 T43.CA,HA; P44.HD2 1274 73 0.7380 4.5188 40.6266 +7.16e+07 V32.CA,HA; V32.HG2# 338 73 2.3575 4.5216 40.5961 +4.73e+07 V32.CA,HA; V32.HB 788 73 1.3547 4.8338 40.5423 +5.16e+07 T70.CA,HA; T70.HG2# 110 74 2.4935 4.1504 40.4121 +2.15e+07 E11.CA,HA; E11.HG1 111 74 2.2470 4.1519 40.4077 +4.17e+07 E11.CA,HA; E11.HB1|HB2 1179 74 1.0129 0.3149 40.3944 +3.42e+07 V105.CG2,HG2#; A46.HB# 1799 74 0.8410 4.0639 40.3737 +2.08e+07 I96.CA,HA; L94.HD2# 1175 74 1.9576 0.3187 40.3341 +2.71e+07 V105.CG2,HG2#; L109.HG 86 75 1.9216 -0.0051 40.3024 +3.88e+07 V7.CG1,HG1#; V7.HB 1176 75 1.5601 0.3165 40.3023 +1.10e+08 V105.CG2,HG2#; V105.HB 1055 75 0.4192 4.0517 40.3022 +6.22e+07 I96.CA,HA; I96.HG2# 1852 75 0.5771 0.3188 40.2991 +6.93e+07 V105.CG2,HG2#; L21.HD1# 1898 75 1.7254 -0.0073 40.2985 +1.58e+07 V7.CG1,HG1#; L31.HB2 787 75 3.8913 4.8365 40.2942 +1.49e+07 T70.CA,HA; P71.HD1|HD2 1180 75 0.7262 0.3156 40.2921 +1.89e+08 V105.CG2,HG2#; L48.HD1# 834 75 3.7859 1.6313 40.2904 +1.65e+07 I76.CB,HB; V88.HA 1053 75 1.0605 4.0564 40.2903 +2.63e+07 I96.CA,HA; I96.HG11|HG12 1177 75 1.2448 0.3172 40.2897 +4.66e+07 V105.CG2,HG2#; T106.HG2# 1173 75 3.7594 0.3210 40.2854 +2.57e+07 V105.CG2,HG2#; T106.HA 1333 75 0.9007 5.1343 40.2844 +3.00e+07 I29.CA,HA; I29.HD1# 1183 75 0.1437 0.3169 40.2823 +8.05e+07 V105.CG2,HG2#; I4.HD1# 1051 75 1.6614 4.0473 40.2805 +3.12e+07 I96.CA,HA; I96.HB 79 75 5.0702 -0.0080 40.2791 +4.60e+07 V7.CG1,HG1#; V7.HA 1172 75 3.6177 0.3102 40.2695 +1.92e+07 V105.CG2,HG2#; L102.HA 1171 75 3.2307 0.3168 40.2637 +8.01e+07 V105.CG2,HG2#; V105.HA 1381 75 0.7779 -0.0051 40.2559 +1.07e+08 V7.CG1,HG1#; L39.HD2# 1895 75 4.8817 -0.0092 40.2530 +1.28e+07 V7.CG1,HG1#; L49.HA 1182 75 0.8712 0.3200 40.2482 +3.91e+07 V105.CG2,HG2#; L48.HD2# 1897 75 3.9811 -0.0080 40.2431 +1.71e+07 V7.CG1,HG1#; G34.HA1 1380 75 0.2533 -0.0106 40.2426 +6.50e+07 V7.CG1,HG1#; L6.HD1# 84 75 3.3826 -0.0065 40.2287 +1.68e+07 V7.CG1,HG1#; G34.HA2 1378 75 4.5272 -0.0109 40.2239 +1.32e+07 V7.CG1,HG1#; V32.HA 1896 75 4.7378 -0.0042 40.2160 +1.66e+07 V7.CG1,HG1#; S8.HA 1446 76 3.7392 1.6948 40.1023 +1.56e+07 A24.CB,HB#; I20.HA 1636 76 2.0673 -0.0922 40.0833 +2.77e+07 V58.CG1,HG1#; V62.HB 1633 76 3.7861 -0.0918 40.0693 +3.16e+07 V58.CG1,HG1#; Q59.HA 659 76 1.1907 -0.0915 40.0540 +1.86e+08 V58.CG1,HG1#; V58.HB 1637 76 1.5971 -0.0805 40.0332 +3.07e+07 V58.CG1,HG1#; L49.HB2 1444 76 4.2468 1.6946 40.0227 +4.54e+07 A24.CB,HB#; L21.HA 653 76 3.3203 -0.0905 40.0067 +8.00e+07 V58.CG1,HG1#; V58.HA 1638 77 0.6594 -0.0897 39.9937 +2.57e+08 V58.CG1,HG1#; I78.HD1# 1450 77 0.7174 1.6926 39.9911 +2.62e+07 A24.CB,HB#; L21.HD2# 257 77 4.4080 1.6959 39.9904 +2.10e+08 A24.CB,HB#; A24.HA 1449 77 0.8905 1.6943 39.9802 +1.90e+08 A24.CB,HB#; L102.HD2# 1451 77 0.5738 1.6937 39.9706 +5.11e+07 A24.CB,HB#; L21.HD1# 1448 77 1.0929 1.7001 39.9669 +3.18e+07 A24.CB,HB#; I20.HG2# 1892 77 4.9027 0.7551 39.9546 +1.56e+07 V32.CG1,HG1#; E9.HA 269 77 0.9648 1.6949 39.9250 +1.81e+08 A24.CB,HB#; L102.HD1# 663 77 2.9117 -0.0822 39.9192 +1.62e+07 V58.CG1,HG1#; Y85.HB1 344 77 4.5216 0.7678 39.8919 +4.29e+07 V32.CG1,HG1#; V32.HA 346 77 2.3561 0.7708 39.8626 +1.35e+08 V32.CG1,HG1#; V32.HB 1935 77 4.7767 0.7649 39.8600 +1.65e+07 V32.CG1,HG1#; L31.HA 1312 78 0.9862 5.4063 39.8264 +2.50e+07 V5.CA,HA; V5.HG2# 1052 78 2.0652 4.1598 39.7687 +1.50e+08 E99.CA,HA; E99.HB1 1940 78 1.7106 3.9417 39.7666 +1.64e+07 E37.CA,HA; L40.HG 319 78 1.5402 0.8849 39.7665 +3.57e+07 I29.CG2,HG2#; I29.HG12 1513 78 0.8206 3.9358 39.7612 +4.50e+07 E37.CA,HA; L40.HD2# 1876 78 1.7288 0.8857 39.7590 +2.02e+07 I29.CG2,HG2#; L31.HG 1094 78 2.3393 4.1602 39.7580 +1.15e+08 E99.CA,HA; E99.HG1|HG2 403 78 1.9962 3.9357 39.7547 +6.77e+07 E37.CA,HA; E37.HB1 1100 78 4.1092 4.5869 39.7533 +7.33e+07 S100.CA,HA; S100.HB1 316 78 5.1250 0.8864 39.7494 +3.49e+07 I29.CG2,HG2#; I29.HA 320 78 1.3208 0.8865 39.7472 +3.64e+07 I29.CG2,HG2#; I29.HG11 1364 78 0.8596 5.4131 39.7467 +1.11e+07 V5.CA,HA; L31.HD2# 321 78 1.9036 0.8822 39.7337 +3.95e+07 I29.CG2,HG2#; I29.HB 1822 78 2.1887 4.5912 39.7287 +3.70e+07 S100.CA,HA; Q103.HB1|HB2 1099 78 3.9330 4.5918 39.7186 +7.77e+07 S100.CA,HA; S100.HB2 1931 78 4.7864 0.8810 39.7162 +1.21e+07 I29.CG2,HG2#; L31.HA 1145 78 2.2567 3.9374 39.7137 +5.08e+07 E37.CA,HA; E37.HG1 416 79 1.8276 3.7343 39.6746 +2.61e+07 L39.CA,HA; L39.HB1 417 79 1.6971 3.7347 39.6702 +2.70e+07 L39.CA,HA; L39.HG 1821 79 2.3959 4.6008 39.6534 +2.00e+07 S100.CA,HA; Q103.HG1 420 79 0.7816 3.7317 39.6493 +4.82e+07 L39.CA,HA; L39.HD1# 419 79 0.9496 3.7282 39.6182 +2.33e+07 L39.CA,HA; V5.HG2# 6 79 0.8485 4.6785 39.6102 +1.08e+07 I4.CA,HA; V47.HG1# 1926 79 1.5478 1.8896 39.5797 +1.04e+07 I29.CB,HB; I29.HG12 1335 79 0.8306 5.0230 39.5506 +2.31e+07 V47.CA,HA; V47.HG2# 1282 80 1.4468 3.7349 39.5036 +3.08e+07 L39.CA,HA; L39.HB2 1111 80 3.9136 3.3940 39.4553 +1.46e+07 F101.CB,HB1; S100.HB2 1308 81 0.5856 4.6703 39.3669 +1.98e+07 I4.CA,HA; I4.HG2# 5 81 0.9772 4.6807 39.3669 +1.13e+07 I4.CA,HA; V5.HG2# 1309 81 0.1191 4.6769 39.3542 +1.09e+07 I4.CA,HA; I4.HD1# 682 81 2.0832 4.1021 39.3541 +7.92e+07 E60.CA,HA; E60.HB1|HB2 1673 81 0.8581 3.9573 39.3477 +3.00e+07 Q64.CA,HA; V36.HG1# 1254 81 4.4159 1.4344 39.3465 +4.89e+08 A113.CB,HB#; A113.HA 683 81 2.3781 4.1038 39.3410 +4.80e+07 E60.CA,HA; E60.HG1 1645 81 2.9048 4.1015 39.3186 +2.64e+07 E60.CA,HA; D63.HB1 737 81 2.0649 3.9556 39.3101 +4.65e+07 Q64.CA,HA; Q64.HB2 681 81 2.2657 4.0988 39.2791 +4.28e+07 E60.CA,HA; E60.HG2 1839 81 2.0728 3.8878 39.2765 +3.70e+07 Q104.CA,HA; Q104.HB1 1834 81 4.2280 3.9884 39.2290 +3.86e+07 Q103.CA,HA; T106.HB 736 82 2.7107 3.9676 39.2038 +2.92e+07 Q64.CA,HA; Q64.HG1 1837 82 2.5973 3.8773 39.2036 +2.77e+07 Q104.CA,HA; Q104.HG1 1833 82 1.2490 3.9832 39.2025 +2.30e+07 Q103.CA,HA; T106.HG2# 1132 82 2.1875 3.9875 39.2002 +1.13e+08 Q103.CA,HA; Q103.HB1|HB2 411 82 1.6620 3.8763 39.1996 +1.65e+07 R38.CA,HA; R38.HB2 1646 82 2.5809 4.1041 39.1653 +1.64e+07 E60.CA,HA; D63.HB2 1941 82 1.4859 3.8734 39.1627 +4.32e+07 R38.CA,HA; A41.HB# 1838 82 2.4311 3.8914 39.1502 +3.92e+07 Q104.CA,HA; Q104.HG2 1840 82 1.8647 3.8763 39.1357 +2.97e+07 Q104.CA,HA; Q104.HB2 1721 83 0.6931 1.7537 39.0395 +2.29e+07 I20.CB,HB; I20.HD1# 1720 83 0.4762 1.7567 38.9125 +1.98e+07 I78.CB,HB; V88.HG1# 627 84 3.6992 4.3494 38.8899 +7.35e+07 S54.CA,HA; S54.HB2 628 84 4.0361 4.3516 38.8633 +7.72e+07 S54.CA,HA; S54.HB1 902 84 3.9181 4.4154 38.8018 +2.04e+08 S81.CA,HA; S81.HB1|HB2 1749 84 3.5801 4.4171 38.7767 +1.36e+07 S81.CA,HA; K82.HA 1718 85 1.2038 1.7548 38.7211 +3.02e+07 I78.CB,HB; I78.HG2# 802 85 2.2478 4.0479 38.6684 +8.28e+07 E72.CA,HA; E72.HG1 1556 85 0.7560 2.1435 38.6525 +1.81e+07 I45.CB,HB; L109.HD2# 803 85 1.9820 4.0473 38.6523 +8.00e+07 E72.CA,HA; E72.HB1 492 85 4.6735 2.1397 38.6240 +3.60e+07 I45.CB,HB; I45.HA 691 85 1.6947 4.0455 38.6167 +2.74e+07 L61.CA,HA; L61.HB1 927 85 4.8127 2.6661 38.6117 +2.24e+07 N84.CB,HB1; N84.HA 493 86 1.3844 2.1442 38.5783 +1.33e+07 I45.CB,HB; I45.HG11|HG12 495 86 1.0258 2.1327 38.5690 +4.56e+07 I45.CB,HB; I45.HD1# 494 86 1.1791 2.1367 38.5595 +1.07e+08 I45.CB,HB; I45.HG2# 500 86 3.9905 1.1778 38.5429 +3.85e+07 I45.CG2,HG2#; G2.HA2 1201 86 1.2889 4.2123 38.5419 +2.62e+07 M107.CA,HA; T110.HG2# 1647 86 0.9903 4.0499 38.5369 +1.90e+07 L61.CA,HA; V36.HG2# 928 86 4.8133 2.4679 38.5247 +3.45e+07 N84.CB,HB2; N84.HA 504 86 2.1300 1.1780 38.5198 +1.96e+08 I45.CG2,HG2#; I45.HB 1198 86 2.7288 4.2062 38.5184 +3.10e+07 M107.CA,HA; M107.HG1 497 86 4.6666 1.1797 38.5157 +1.89e+08 I45.CG2,HG2#; I45.HA 1200 86 2.0432 4.2025 38.5114 +5.18e+07 M107.CA,HA; M107.HB2 510 86 1.0323 1.1794 38.5075 +3.50e+08 I45.CG2,HG2#; I45.HD1# 1874 86 3.9397 4.4920 38.4991 +5.69e+08 S111.CA,HA; S111.HB2 1346 86 1.1927 5.0574 38.4943 +1.70e+07 I78.CA,HA; I78.HG2# 1567 86 0.7584 1.1777 38.4915 +7.02e+07 I45.CG2,HG2#; L109.HD2# 519 86 0.1342 1.1819 38.4681 +2.41e+07 I45.CG2,HG2#; I4.HD1# 1338 87 0.8366 4.0422 38.4305 +6.74e+07 L61.CA,HA; L61.HD2# 1199 87 2.5775 4.2088 38.4215 +4.68e+07 M107.CA,HA; M107.HG2 854 87 0.4791 5.0430 38.3973 +1.20e+07 I78.CA,HA; V88.HG1# 689 87 2.7220 4.0602 38.3685 +1.35e+07 L61.CA,HA; Q64.HG1 1345 87 0.6577 5.0446 38.3669 +1.97e+07 I78.CA,HA; I78.HD1# 126 87 1.0490 1.4913 38.3001 +3.54e+07 A12.CB,HB#; T13.HG2# 1341 87 0.7670 3.9726 38.2950 +7.00e+07 L65.CA,HA; L65.HD1# 1325 88 0.8589 4.1015 38.2021 +7.95e+07 L16.CA,HA; L16.HD1# 123 88 4.1110 1.4949 38.1600 +4.74e+08 A12.CB,HB#; A12.HA 1546 89 0.9067 1.4969 38.1275 +4.84e+07 A41.CB,HB#; L42.HD1# 1643 89 2.0741 3.8198 38.1163 +1.80e+07 Q59.CA,HA; V62.HB 1906 89 2.2516 1.4986 38.0888 +3.02e+07 A12.CB,HB#; E11.HB1|HB2 677 89 0.7170 3.8111 38.0556 +1.84e+07 Q59.CA,HA; V62.HG2# 1644 89 0.9033 3.8133 38.0366 +1.32e+07 Q59.CA,HA; V62.HG1# 988 89 1.3698 4.6274 38.0349 +1.19e+07 I92.CA,HA; I92.HG11 1422 89 1.5026 1.0913 38.0348 +5.54e+07 I20.CG2,HG2#; L102.HB2 1456 89 1.9910 4.6546 38.0319 +1.24e+07 Y26.CA,HA; Q27.HB1 206 89 2.1932 1.0944 38.0242 +1.59e+07 I20.CG2,HG2#; P98.HB1 211 89 0.4289 1.0922 38.0082 +9.24e+07 I20.CG2,HG2#; I17.HD1# 1420 89 4.2563 1.0929 38.0082 +2.05e+07 I20.CG2,HG2#; L21.HA 1425 89 0.8751 1.0916 38.0038 +1.27e+08 I20.CG2,HG2#; L102.HD2# 212 89 0.2269 1.0935 37.9953 +3.40e+07 I20.CG2,HG2#; I96.HD1# 202 89 3.7144 1.0921 37.9891 +8.06e+07 I20.CG2,HG2#; I20.HA 205 89 1.7512 1.0922 37.9880 +1.02e+08 I20.CG2,HG2#; I20.HB 210 89 0.7004 1.0925 37.9845 +1.86e+08 I20.CG2,HG2#; I20.HD1# 1542 90 3.7163 1.4959 37.9668 +2.89e+07 A12.CB,HB#; T13.HA 1923 90 0.1601 4.6409 37.9492 +1.23e+07 Y26.CA,HA; I4.HD1# 989 90 1.0360 4.6200 37.9463 +2.09e+07 I92.CA,HA; I92.HG2# 1112 90 1.8391 3.6207 37.9306 +1.90e+07 L102.CA,HA; L102.HB1 1541 90 3.8823 1.4830 37.9210 +7.26e+07 A41.CB,HB#; R38.HA 1945 90 0.7714 1.4889 37.9197 +6.24e+07 A41.CB,HB#; L42.HD2# 1829 90 0.0086 3.6458 37.8956 +1.47e+07 L102.CA,HA; V105.HG1# 1943 90 1.8770 1.4748 37.8956 +2.65e+07 A41.CB,HB#; R38.HB1 1114 90 0.8728 3.6342 37.8821 +4.94e+07 L102.CA,HA; L102.HD2# 757 90 2.4556 4.1541 37.8741 +5.55e+07 Q67.CA,HA; Q67.HG1 1421 90 3.9497 1.0902 37.8646 +1.83e+07 I20.CG2,HG2#; P98.HA 1830 90 0.4584 3.6400 37.8546 +1.21e+07 L102.CA,HA; I92.HD1# 2024 90 1.5633 3.6403 37.8161 +2.41e+07 L102.CA,HA; V105.HB 756 91 2.1568 4.1454 37.8091 +9.86e+07 Q67.CA,HA; Q67.HB1|HB2 272 91 2.9134 4.6310 37.7935 +1.69e+07 Y26.CA,HA; Y26.HB1 758 91 2.5905 4.1459 37.7626 +4.11e+07 Q67.CA,HA; Q67.HG2 169 91 3.3660 0.7287 37.7240 +1.59e+07 I17.CG2,HG2#; S14.HA 1057 91 4.0509 1.6692 37.7142 +2.73e+07 I96.CB,HB; I96.HA 1059 91 1.0577 1.6631 37.7119 +5.58e+07 I96.CB,HB; I96.HG11|HG12 166 91 3.1090 0.7293 37.7045 +3.62e+07 I17.CG2,HG2#; I17.HA 1427 91 1.7040 4.2474 37.7025 +1.84e+07 L21.CA,HA; A24.HB# 175 91 1.0447 0.7253 37.6990 +4.00e+07 I17.CG2,HG2#; T13.HG2# 1671 91 2.1414 4.2698 37.6962 +1.48e+07 D63.CA,HA; R66.HB1 178 91 0.2329 0.7284 37.6878 +1.06e+08 I17.CG2,HG2#; L6.HD1# 732 91 2.9185 4.2691 37.6856 +1.66e+07 D63.CA,HA; D63.HB1 173 91 1.5997 0.7269 37.6744 +5.76e+07 I17.CG2,HG2#; I17.HB 1713 91 0.4113 0.7285 37.6690 +1.40e+08 I17.CG2,HG2#; I17.HD1# 1404 92 1.9369 0.7252 37.6582 +1.83e+07 I17.CG2,HG2#; L21.HB1 1426 92 0.7139 4.2393 37.6480 +1.32e+07 L21.CA,HA; L21.HD2# 1672 92 0.9113 4.2677 37.6419 +1.79e+07 D63.CA,HA; V62.HG1# 1062 92 0.2197 1.6560 37.6308 +3.76e+07 I96.CB,HB; I96.HD1# 1061 92 0.4159 1.6621 37.6281 +1.13e+08 I96.CB,HB; I96.HG2# 733 92 2.5838 4.2760 37.6236 +2.73e+07 D63.CA,HA; D63.HB2 1813 92 3.4129 0.4189 37.6098 +2.33e+07 I96.CG2,HG2#; F101.HB1 1330 92 0.5742 4.2308 37.6084 +2.43e+07 L21.CA,HA; L21.HD1# 635 92 0.2438 3.2231 37.5876 +8.94e+06 Y55.CB,HB1; V58.HG2# 845 92 0.4441 0.6821 37.5812 +8.86e+07 I76.CG2,HG2#; V88.HG1# 1079 92 1.6635 0.4157 37.5740 +1.49e+08 I96.CG2,HG2#; I96.HB 1714 92 0.2293 0.6757 37.5665 +3.09e+07 I76.CG2,HG2#; V58.HG2# 1075 92 4.0512 0.4176 37.5663 +8.18e+07 I96.CG2,HG2#; I96.HA 1081 92 1.0586 0.4158 37.5634 +1.82e+08 I96.CG2,HG2#; I96.HG11|HG12 1807 92 0.8289 0.4139 37.5597 +1.69e+08 I96.CG2,HG2#; L94.HD2# 1710 92 3.7956 0.6765 37.5564 +3.88e+07 I76.CG2,HG2#; V88.HA 1086 92 0.2156 0.4164 37.5534 +2.00e+08 I96.CG2,HG2#; I96.HD1# 841 92 4.6196 0.6723 37.5506 +3.13e+07 I76.CG2,HG2#; I76.HA 1752 92 0.7341 4.6296 37.5322 +1.72e+07 Y85.CA,HA; V88.HG2# 1812 92 4.2855 0.4110 37.5302 +2.01e+07 I96.CG2,HG2#; L94.HA 1711 92 1.6316 0.6827 37.5270 +6.33e+07 I76.CG2,HG2#; I76.HB 1712 93 1.2760 0.6886 37.4835 +1.96e+07 I76.CG2,HG2#; I78.HG12 1260 93 3.3550 4.7835 37.4185 +1.31e+07 S8.CA,HA; S8.HB2 101 93 0.2514 4.7759 37.3744 +2.80e+07 S8.CA,HA; L6.HD1# 782 94 2.7750 5.0094 37.2436 +2.68e+07 C69.CA,HA; C69.HB1 1259 94 3.8776 4.7691 37.2349 +1.10e+07 S8.CA,HA; S8.HB1 781 94 2.5184 5.0156 37.2311 +1.99e+07 C69.CA,HA; C69.HB2 100 94 1.4608 4.7771 37.2212 +2.34e+07 S8.CA,HA; A50.HB# 1359 94 1.8228 0.5909 37.2203 +1.83e+07 I4.CG2,HG2#; V5.HB 1691 94 0.6548 5.0088 37.2187 +1.27e+07 C69.CA,HA; L74.HD2# 1690 94 1.3514 5.0144 37.2018 +2.22e+07 C69.CA,HA; T70.HG2# 904 95 2.9365 3.5966 37.1732 +1.01e+07 K82.CA,HA; K82.HE1|HE2 806 95 4.0386 2.2491 37.1364 +2.50e+07 E72.CG,HG1; E72.HA 1981 95 2.3776 5.0176 37.1268 +1.12e+07 C69.CA,HA; Q73.HG1|HG2 1689 95 2.0412 5.0049 37.1262 +1.40e+07 C69.CA,HA; Q73.HB2 905 95 1.1706 3.5826 37.1232 +7.83e+07 K82.CA,HA; K82.HG1|HG2 907 95 1.5671 3.5841 37.1219 +1.02e+08 K82.CA,HA; K82.HB2 368 95 4.3050 2.2715 37.1165 +1.32e+07 E35.CG,HG1; E35.HA 906 95 1.6587 3.5842 37.1059 +6.87e+07 K82.CA,HA; K82.HB1 1361 95 0.7194 0.5860 37.1057 +2.62e+08 I4.CG2,HG2#; I17.HG2# 34 95 4.6663 0.5879 37.0970 +4.71e+07 I4.CG2,HG2#; I4.HA 38 95 1.5431 0.5857 37.0851 +8.49e+07 I4.CG2,HG2#; I4.HB 39 95 1.3063 0.5853 37.0793 +4.38e+07 I4.CG2,HG2#; I4.HG12 43 95 0.1340 0.5862 37.0761 +1.78e+08 I4.CG2,HG2#; I4.HD1# 1360 95 0.9995 0.5867 37.0709 +1.15e+08 I4.CG2,HG2#; A46.HB# 982 95 2.9073 5.3284 37.0527 +1.40e+07 Y91.CA,HA; Y91.HB2 1362 95 0.3054 0.5835 37.0380 +2.20e+07 I4.CG2,HG2#; V105.HG2# 1770 96 1.1810 5.3223 37.0132 +1.22e+07 Y91.CA,HA; I78.HG2# 1733 96 1.5808 1.1974 37.0053 +2.86e+07 I78.CG2,HG2#; L49.HB2 855 96 5.0479 1.1932 37.0042 +3.48e+07 I78.CG2,HG2#; I78.HA 1734 96 0.8357 1.2001 37.0009 +2.01e+07 I78.CG2,HG2#; L79.HD1#|HD2# 438 96 0.7755 3.9341 36.9994 +1.04e+08 L40.CA,HA; L40.HD1# 866 96 0.6432 1.1952 36.9972 +1.89e+08 I78.CG2,HG2#; I78.HD1# 436 96 1.4356 3.9209 36.9914 +1.71e+07 L40.CA,HA; L40.HB2 1736 96 0.2047 1.1953 36.9907 +9.16e+07 I78.CG2,HG2#; V58.HG2# 879 96 1.3412 1.1974 36.9834 +4.11e+07 I78.CG2,HG2#; I78.HG11 878 96 1.7477 1.1943 36.9788 +6.82e+07 I78.CG2,HG2#; I78.HB 1735 96 0.4879 1.1959 36.9700 +1.27e+08 I78.CG2,HG2#; V88.HG1# 1729 96 5.3250 1.1937 36.9552 +2.09e+07 I78.CG2,HG2#; Y91.HA 1771 96 0.4656 5.3246 36.9465 +2.41e+07 Y91.CA,HA; I92.HD1# 1730 96 4.4766 1.1890 36.9363 +1.28e+07 I78.CG2,HG2#; G80.HA1 1737 96 -0.0997 1.1883 36.9009 +1.87e+07 I78.CG2,HG2#; V58.HG1# 1097 96 2.0642 2.3419 36.8932 +2.75e+08 E99.CG,HG1|HG2; E99.HB1 437 97 1.7460 3.9236 36.8418 +2.04e+07 L40.CA,HA; L40.HB1 1783 97 2.4436 1.0551 36.8276 +1.34e+07 I92.CG2,HG2#; Q104.HG2 1011 97 1.6062 1.0597 36.7980 +3.20e+07 I92.CG2,HG2#; L79.HB1|HB2 997 97 3.8156 1.0572 36.7895 +4.02e+07 I92.CG2,HG2#; P93.HD1|HD2 992 97 4.6191 1.0562 36.7824 +5.13e+07 I92.CG2,HG2#; I92.HA 1021 97 0.2246 1.0532 36.7810 +5.16e+07 I92.CG2,HG2#; I96.HD1# 995 97 4.2550 1.0558 36.7769 +1.37e+07 I92.CG2,HG2#; F101.HA 1013 97 0.8408 1.0550 36.7704 +1.12e+08 I92.CG2,HG2#; L79.HD1#|HD2# 1012 97 1.3684 1.0621 36.7564 +3.65e+07 I92.CG2,HG2#; I92.HG11 1785 97 0.0055 1.0526 36.7430 +1.90e+07 I92.CG2,HG2#; V105.HG1# 1006 97 1.8763 1.0539 36.7326 +7.29e+07 I92.CG2,HG2#; I92.HB 809 98 2.3630 4.2552 36.6822 +6.24e+07 Q73.CA,HA; E72.HG2 1016 98 0.7071 1.0525 36.6531 +3.43e+07 I92.CG2,HG2#; L48.HD1# 1681 99 3.9669 4.4807 36.5000 +1.07e+07 R68.CA,HA; L65.HA 1753 99 1.7140 4.4763 36.4875 +7.40e+07 R68.CA,HA; R68.HG1|HG2 1682 99 0.7776 4.4719 36.4345 +2.08e+07 R68.CA,HA; L40.HD2# 767 99 3.1438 4.4750 36.4290 +6.56e+07 R68.CA,HA; R68.HD1|HD2 769 99 1.7140 4.4763 36.4158 +7.40e+07 R68.CA,HA; R68.HG1|HG2 408 100 0.8788 2.2296 36.3671 +1.46e+07 E37.CG,HG1; V36.HG1# 751 100 3.3931 4.5588 36.3553 +1.80e+07 R66.CA,HA; R66.HD1 365 100 2.2575 4.2966 36.3302 +3.54e+07 E35.CA,HA; E35.HG1 406 100 3.9255 2.2382 36.3222 +1.87e+07 E37.CG,HG1; E37.HA 105 100 0.7297 4.8885 36.3203 +3.50e+07 E9.CA,HA; V32.HG2# 1495 100 0.7901 4.3043 36.3154 +2.36e+07 E35.CA,HA; L61.HD1# 407 100 0.8615 2.3074 36.2955 +1.90e+07 E37.CG,HG2; V36.HG1# 366 100 1.8748 4.2993 36.2934 +4.51e+07 E35.CA,HA; E35.HB2 115 100 4.1468 2.4843 36.2878 +1.15e+07 E11.CG,HG1; E11.HA 104 100 2.3802 4.8939 36.2674 +7.85e+07 E9.CA,HA; E9.HB1 103 101 2.1051 4.9064 36.1996 +3.08e+07 E9.CA,HA; E9.HB2 102 101 4.5199 4.9053 36.1941 +1.04e+07 E9.CA,HA; V32.HA 752 101 3.2686 4.5790 36.1716 +1.15e+07 R66.CA,HA; R66.HD2 1616 101 2.3162 3.7535 36.1678 +1.18e+08 E51.CA,HA; E51.HG1|HG2 1615 101 1.9925 3.7530 36.1675 +1.56e+08 E51.CA,HA; E51.HB1|HB2 1214 101 0.7690 4.3772 36.1662 +7.12e+07 L109.CA,HA; L109.HD2# 1614 101 3.7555 2.3204 36.1332 +4.10e+07 E51.CG,HG1|HG2; E51.HA 1351 101 1.9662 4.3733 36.1308 +2.84e+07 L109.CA,HA; L109.HB1 1980 102 2.4010 4.4910 36.0187 +9.48e+07 Q86.CA,HA; Q86.HG1|HG2 939 102 2.0842 4.4884 36.0164 +9.14e+07 Q86.CA,HA; Q86.HB2 938 103 2.4007 4.4913 35.8897 +1.04e+08 Q86.CA,HA; Q86.HG1|HG2 120 104 1.4981 4.1043 35.7131 +1.67e+08 A12.CA,HA; A12.HB# 1621 105 2.4187 4.7718 35.6227 +1.01e+07 Y55.CA,HA; E9.HG1|HG2 632 105 3.1985 4.7681 35.6159 +2.98e+07 Y55.CA,HA; Y55.HB1 1 105 0.8886 5.3341 35.6144 +9.67e+06 R3.CA,HA; I4.HG11 631 105 2.9193 4.7649 35.5265 +2.67e+07 Y55.CA,HA; Y55.HB2 1617 106 0.2434 4.6465 35.4340 +1.99e+07 F53.CA,HA; V58.HG2# 1295 106 2.3533 4.4180 35.3937 +1.27e+07 L112.CA,HA; E72.HG2 623 106 3.1777 4.6338 35.3588 +1.21e+07 F53.CA,HA; F53.HB1 1575 106 0.6737 1.7587 35.3404 +3.29e+07 V47.CB,HB; I76.HG2# 1703 106 3.7933 0.7671 35.3385 +1.88e+07 I76.CD1,HD1#; V88.HA 1292 106 4.0340 4.4087 35.3353 +2.33e+07 L112.CA,HA; E72.HA 972 106 3.0415 4.5479 35.3260 +2.47e+07 R90.CA,HA; R90.HD1 835 107 4.5939 0.7700 35.2969 +1.47e+07 I76.CD1,HD1#; I76.HA 1766 107 1.4287 4.5454 35.2889 +9.49e+07 R90.CA,HA; R90.HB2 1705 107 2.1040 0.7723 35.2885 +1.96e+07 I76.CD1,HD1#; L65.HB1 1767 107 0.4713 4.5324 35.2813 +1.63e+07 R90.CA,HA; V88.HG1# 1276 107 0.8294 1.7470 35.2798 +6.46e+07 V47.CB,HB; V47.HG2# 1706 107 1.6304 0.7629 35.2588 +4.32e+07 I76.CD1,HD1#; I76.HB 622 107 2.9557 4.6299 35.2550 +1.38e+07 F53.CA,HA; F53.HB2 1707 107 1.5230 0.7641 35.2503 +4.12e+07 I76.CD1,HD1#; I76.HG11 1242 107 1.4295 4.4106 35.2411 +3.19e+07 L112.CA,HA; A113.HB# 1709 107 0.4530 0.7639 35.2360 +2.32e+07 I76.CD1,HD1#; V88.HG1# 971 107 2.8551 4.5507 35.2232 +2.08e+07 R90.CA,HA; Y91.HB1 1708 107 0.9025 0.7648 35.1819 +8.77e+07 I76.CD1,HD1#; V62.HG1# 1768 107 2.8675 1.4267 35.1740 +1.22e+07 R90.CB,HB2; R90.HD2 1243 108 0.8923 4.4090 35.1506 +3.17e+08 L112.CA,HA; L112.HD1# 1352 108 1.6543 4.4090 35.1435 +4.05e+08 L112.CA,HA; L112.HB1|HB2 1704 108 3.2466 0.7612 35.1084 +2.42e+07 I76.CD1,HD1#; V62.HA 1296 108 2.9911 4.4063 35.0308 +2.15e+07 L112.CA,HA; K75.HE2 1477 109 3.2534 0.8967 34.9189 +1.89e+07 I29.CD1,HD1#; R3.HD1 303 109 5.1119 0.8977 34.9124 +3.91e+07 I29.CD1,HD1#; I29.HA 1476 109 3.0420 0.8962 34.9121 +2.97e+07 I29.CD1,HD1#; R3.HD2 1560 109 1.9900 1.0380 34.9013 +2.53e+07 I45.CD1,HD1#; L109.HG 507 109 1.6671 1.0435 34.8919 +3.49e+07 I45.CD1,HD1#; L109.HB2 1413 109 2.0595 0.6979 34.8903 +2.13e+07 I20.CD1,HD1#; P98.HB2 1563 109 0.1380 1.0356 34.8902 +8.11e+07 I45.CD1,HD1#; I4.HD1# 505 109 2.1329 1.0352 34.8877 +1.01e+08 I45.CD1,HD1#; I45.HB 1411 109 3.0934 0.6912 34.8871 +2.49e+07 I20.CD1,HD1#; I17.HA 1558 109 4.4121 1.0393 34.8844 +1.98e+07 I45.CD1,HD1#; L109.HA 513 109 0.7519 1.0346 34.8802 +2.19e+08 I45.CD1,HD1#; L109.HD2# 511 109 1.1823 1.0363 34.8752 +2.83e+08 I45.CD1,HD1#; I45.HG2# 512 109 1.3676 1.0356 34.8744 +1.97e+08 I45.CD1,HD1#; I45.HG11|HG12 1479 109 0.7469 0.8986 34.8697 +1.37e+08 I29.CD1,HD1#; L42.HD2# 1557 109 4.5634 1.0358 34.8675 +7.56e+07 I45.CD1,HD1#; G2.HA1 1415 109 1.3397 0.6946 34.8617 +4.10e+07 I20.CD1,HD1#; L16.HG 1416 109 1.0903 0.6961 34.8592 +1.96e+08 I20.CD1,HD1#; I20.HG2# 1412 109 2.2066 0.6904 34.8587 +3.17e+07 I20.CD1,HD1#; P98.HB1 1414 109 1.7750 0.6950 34.8575 +8.06e+07 I20.CD1,HD1#; I20.HB 1559 109 3.9858 1.0350 34.8575 +5.93e+07 I45.CD1,HD1#; G2.HA2 1478 109 1.9283 0.8981 34.8550 +5.58e+07 I29.CD1,HD1#; I29.HB 309 109 1.5477 0.8989 34.8476 +7.65e+07 I29.CD1,HD1#; I29.HG12 1417 109 0.8729 0.7002 34.8470 +1.19e+08 I20.CD1,HD1#; L16.HD1# 1418 110 0.2177 0.6980 34.8420 +5.07e+07 I20.CD1,HD1#; I96.HD1# 310 110 1.3345 0.8931 34.8385 +7.38e+07 I29.CD1,HD1#; I29.HG11 1419 110 0.4193 0.6980 34.8353 +1.12e+08 I20.CD1,HD1#; I17.HD1# 1409 110 3.9593 0.6964 34.8246 +4.62e+07 I20.CD1,HD1#; P98.HA 1398 110 3.3752 0.4097 34.8229 +2.04e+07 I17.CD1,HD1#; S14.HA 812 110 2.1197 4.4671 34.8210 +1.07e+07 L74.CA,HA; I45.HB 190 110 3.7222 0.6977 34.8165 +2.83e+07 I20.CD1,HD1#; I20.HA 1911 110 3.3904 0.6927 34.8030 +1.75e+07 I20.CD1,HD1#; F101.HB1 1401 110 1.0411 0.4061 34.7879 +1.42e+08 I17.CD1,HD1#; T13.HG2# 172 110 1.3948 0.4041 34.7849 +4.75e+07 I17.CD1,HD1#; I17.HG11 171 110 1.5958 0.4054 34.7835 +6.23e+07 I17.CD1,HD1#; I17.HB 1403 110 0.2238 0.4076 34.7823 +1.54e+08 I17.CD1,HD1#; I96.HD1# 1400 110 0.7259 0.4066 34.7778 +2.53e+08 I17.CD1,HD1#; I17.HG2# 1402 110 0.8402 0.4056 34.7776 +1.96e+08 I17.CD1,HD1#; L79.HD1#|HD2# 167 110 3.1052 0.4084 34.7736 +2.22e+07 I17.CD1,HD1#; I17.HA 1399 110 3.7083 0.4101 34.7662 +1.92e+07 I17.CD1,HD1#; T13.HA 1342 110 0.6633 4.4673 34.7417 +6.40e+07 L74.CA,HA; L74.HD1# 1343 110 1.1959 4.4569 34.6933 +1.34e+07 L74.CA,HA; L74.HG 1674 112 3.9457 2.7063 34.5234 +1.64e+07 Q64.CG,HG1; Q64.HA 462 112 0.7535 4.1022 34.5225 +5.54e+07 L42.CA,HA; L42.HD2# 460 112 1.8286 4.1017 34.5131 +1.60e+07 L42.CA,HA; L42.HG 461 112 0.8901 4.1017 34.4768 +2.10e+07 L42.CA,HA; L42.HD1# 1258 112 2.1233 2.3062 34.3995 +1.86e+08 Q117.CG,HG1|HG2; Q117.HB1 760 113 4.1369 2.5943 34.2670 +2.18e+07 Q67.CG,HG2; Q67.HA 745 113 4.1476 2.4551 34.2413 +2.25e+07 Q67.CG,HG1; Q67.HA 763 114 2.1553 2.5931 34.2168 +4.68e+07 Q67.CG,HG2; Q67.HB1|HB2 453 114 1.4810 4.1506 34.1825 +1.60e+08 A41.CA,HA; A41.HB# 741 114 3.9683 2.4761 34.1437 +2.68e+07 Q67.CG,HG1; Q64.HA 1146 114 2.1553 2.5931 34.1437 +4.68e+07 Q67.CG,HG2; Q67.HB1|HB2 1540 114 1.1997 4.1426 34.1256 +1.31e+07 A41.CA,HA; T43.HG2# 1680 114 3.9702 2.5995 34.1247 +1.42e+07 Q67.CG,HG2; Q64.HA 1363 115 0.8243 1.8349 34.0418 +1.51e+07 V5.CB,HB; L31.HD1# 639 115 2.7644 4.6047 34.0057 +4.25e+07 D57.CA,HA; D57.HB1 1313 115 0.9914 1.8309 33.9995 +2.58e+07 V5.CB,HB; V5.HG1# 1624 115 0.2279 4.6024 33.9942 +1.19e+07 D57.CA,HA; V58.HG2# 1623 115 3.3428 4.5984 33.9916 +1.16e+07 D57.CA,HA; V58.HA 277 115 2.2442 5.0103 33.9580 +1.16e+07 Q27.CA,HA; Q27.HB2 642 115 2.2577 4.6099 33.9526 +8.76e+06 D57.CA,HA; Q59.HB2 638 115 2.5889 4.6011 33.9452 +4.70e+07 D57.CA,HA; D57.HB2 641 115 2.0864 4.6042 33.9387 +1.46e+07 D57.CA,HA; E60.HB1|HB2 1141 115 2.1839 2.4782 33.9193 +9.61e+07 Q103.CG,HG2; Q103.HB1|HB2 1140 116 3.9868 2.4820 33.8791 +3.07e+07 Q103.CG,HG2; Q103.HA 1139 116 3.9955 2.3915 33.8696 +1.90e+07 Q103.CG,HG1; Q103.HA 107 116 2.8483 4.7368 33.8465 +2.03e+07 D10.CA,HA; D10.HB1 278 116 1.9775 5.0100 33.8353 +1.08e+07 Q27.CA,HA; Q27.HB1 1143 116 1.2233 2.4013 33.8222 +1.02e+07 Q103.CG,HG1; T106.HG2# 1778 116 2.8596 0.4629 33.8214 +1.99e+07 I92.CD1,HD1#; Y91.HB1 1755 116 2.0940 2.4011 33.7971 +1.38e+08 Q86.CG,HG1|HG2; Q86.HB2 109 116 2.4267 4.7509 33.7912 +1.15e+07 D10.CA,HA; E9.HG1|HG2 1598 116 1.0427 4.8966 33.7899 +1.05e+07 L49.CA,HA; L6.HB2 941 116 4.4984 2.4027 33.7817 +5.69e+07 Q86.CG,HG1|HG2; Q86.HA 108 116 2.6566 4.7361 33.7741 +2.77e+07 D10.CA,HA; D10.HB2 1142 116 1.2300 2.4820 33.7739 +9.63e+06 Q103.CG,HG2; T106.HG2# 1337 116 0.6964 4.8979 33.7592 +3.42e+07 L49.CA,HA; L49.HD1# 1003 117 2.4345 0.4635 33.7400 +1.75e+07 I92.CD1,HD1#; Q104.HG2 2026 117 0.9260 4.9951 33.7399 +1.01e+07 Q27.CA,HA; V28.HG2# 1777 117 3.0458 0.4666 33.7362 +3.00e+07 I92.CD1,HD1#; F77.HB1 999 117 3.2360 0.4601 33.7353 +2.72e+07 I92.CD1,HD1#; V105.HA 1775 117 4.2610 0.4645 33.7302 +1.22e+07 I92.CD1,HD1#; F101.HA 589 117 1.9982 4.8843 33.7302 +1.34e+07 L49.CA,HA; L49.HB1 1007 117 1.8783 0.4575 33.7140 +6.67e+07 I92.CD1,HD1#; I92.HB 1009 117 1.3774 0.4599 33.7118 +1.07e+08 I92.CD1,HD1#; R90.HG1 1781 117 1.5874 0.4582 33.7028 +3.54e+07 I92.CD1,HD1#; L79.HG 1010 117 1.0504 0.4593 33.6990 +2.10e+08 I92.CD1,HD1#; I92.HG2# 993 117 4.6175 0.4619 33.6980 +2.84e+07 I92.CD1,HD1#; I92.HA 1019 117 0.0079 0.4581 33.6964 +1.36e+08 I92.CD1,HD1#; V105.HG1# 1022 117 0.2955 0.4580 33.6940 +7.31e+07 I92.CD1,HD1#; V105.HG2# 1015 117 0.7091 0.4576 33.6827 +9.03e+07 I92.CD1,HD1#; L48.HD1# 1782 117 0.8438 0.4580 33.6825 +1.50e+08 I92.CD1,HD1#; L79.HD1#|HD2# 1780 117 2.6316 0.4554 33.6726 +1.80e+07 I92.CD1,HD1#; Q104.HG1 1005 117 2.0823 0.4589 33.6707 +2.15e+07 I92.CD1,HD1#; Q104.HB1 1776 117 3.8164 0.4590 33.6588 +1.99e+07 I92.CD1,HD1#; P93.HD1|HD2 284 120 0.9646 2.0070 33.2762 +4.35e+07 V28.CB,HB; V28.HG1# 830 120 1.7762 4.9327 33.2591 +2.38e+07 K75.CA,HA; K75.HD1 949 120 0.7149 1.9030 33.2210 +4.79e+07 V88.CB,HB; V88.HG2# 1334 120 0.8061 4.7945 33.1994 +4.73e+07 L31.CA,HA; L31.HD1# 950 120 0.4583 1.9050 33.1936 +4.67e+07 V88.CB,HB; V88.HG1# 1585 120 0.4626 5.1130 33.1764 +1.44e+07 L48.CA,HA; I92.HD1# 1483 120 1.2141 5.9211 33.1763 +9.96e+06 W30.CA,HA; L6.HG 948 120 3.8021 1.9305 33.1389 +1.34e+07 V88.CB,HB; V88.HA 1484 120 0.9766 5.9178 33.1296 +1.19e+07 W30.CA,HA; V5.HG2# 1485 121 0.7503 5.9186 33.1274 +1.50e+07 W30.CA,HA; L6.HD2# 1088 121 3.2718 5.1150 33.1160 +1.81e+07 H97.CA,HA; H97.HB1 1336 121 0.7207 5.1144 33.0881 +2.94e+07 L48.CA,HA; L48.HD1# 1814 121 3.9020 5.1141 33.0682 +2.20e+07 H97.CA,HA; P98.HD2 1089 121 3.1017 5.1080 33.0530 +1.92e+07 H97.CA,HA; H97.HB2 848 122 2.7036 5.7210 32.9612 +1.07e+07 F77.CA,HA; F77.HB2 775 122 4.4763 2.0835 32.9294 +1.02e+07 R68.CB,HB1; R68.HA 886 122 0.8429 5.5542 32.9208 +3.79e+07 L79.CA,HA; L79.HD1#|HD2# 1683 122 1.7054 2.0909 32.9158 +1.57e+07 R68.CB,HB1; R68.HG1|HG2 1738 122 1.8567 5.5676 32.8825 +1.00e+07 L79.CA,HA; I92.HB 1715 122 0.7077 5.6912 32.8818 +1.91e+07 F77.CA,HA; V88.HG2# 847 122 3.0087 5.7128 32.8807 +1.21e+07 F77.CA,HA; F77.HB1 883 122 1.5952 5.5597 32.8666 +2.59e+07 L79.CA,HA; L79.HG 1725 122 1.5570 0.6431 32.8182 +4.19e+07 I78.CD1,HD1#; L49.HB2 358 123 2.5800 4.7394 32.7852 +6.82e+07 D33.CA,HA; D33.HB1|HB2 856 123 5.0434 0.6427 32.7645 +4.77e+07 I78.CD1,HD1#; I78.HA 867 123 1.2001 0.6435 32.7619 +2.77e+08 I78.CD1,HD1#; I78.HG2# 860 123 -0.0885 0.6439 32.7590 +2.13e+08 I78.CD1,HD1#; V58.HG1# 1727 123 0.2227 0.6434 32.7508 +2.32e+08 I78.CD1,HD1#; V58.HG2# 1726 123 0.4837 0.6445 32.7456 +2.31e+08 I78.CD1,HD1#; V88.HG1# 1724 123 1.9100 0.6364 32.7455 +2.62e+07 I78.CD1,HD1#; V88.HB 873 123 1.7411 0.6363 32.7310 +5.13e+07 I78.CD1,HD1#; I78.HB 1739 123 1.4510 5.5540 32.7224 +1.50e+07 L79.CA,HA; A50.HB# 1355 123 1.9408 0.1317 32.6743 +2.30e+07 I4.CD1,HD1#; L21.HG 1356 124 0.3285 0.1326 32.5621 +8.21e+07 I4.CD1,HD1#; V105.HG2# 23 124 0.5869 0.1341 32.5600 +2.82e+08 I4.CD1,HD1#; I4.HG2# 21 124 0.9376 0.1344 32.5558 +1.24e+08 I4.CD1,HD1#; I4.HG11 18 124 1.2999 0.1361 32.5538 +8.04e+07 I4.CD1,HD1#; I4.HG12 22 124 0.7236 0.1349 32.5465 +2.72e+08 I4.CD1,HD1#; L109.HD1# 1354 124 1.0269 0.1343 32.5452 +1.75e+08 I4.CD1,HD1#; A46.HB# 17 124 1.5365 0.1369 32.5364 +6.47e+07 I4.CD1,HD1#; I4.HB 1253 124 1.4351 4.4214 32.5314 +3.25e+08 A113.CA,HA; A113.HB# 1206 124 4.1953 2.0161 32.5038 +1.22e+07 M107.CB,HB2; M107.HA 14 125 4.2360 0.1319 32.4690 +1.14e+07 I4.CD1,HD1#; L21.HA 13 125 4.6535 0.1365 32.4504 +4.31e+07 I4.CD1,HD1#; I4.HA 1205 125 4.2035 2.5781 32.4495 +2.24e+07 M107.CG,HG2; M107.HA 1213 125 2.5603 2.0159 32.4336 +1.71e+07 M107.CB,HB2; M107.HG2 254 125 1.6904 4.4133 32.4120 +1.45e+08 A24.CA,HA; A24.HB# 1210 125 2.5835 2.1239 32.4034 +2.47e+07 M107.CB,HB1; M107.HG2 1202 125 4.1972 2.7340 32.3996 +2.09e+07 M107.CG,HG1; M107.HA 1212 125 2.7281 2.1277 32.3896 +1.78e+07 M107.CB,HB1; M107.HG1 1211 125 2.7184 2.0101 32.3833 +2.27e+07 M107.CB,HB2; M107.HG1 913 125 3.5781 1.5892 32.3807 +1.97e+07 K82.CB,HB2; K82.HA 916 126 1.1752 1.6692 32.3289 +3.22e+07 K82.CB,HB1; K82.HG1|HG2 1204 126 4.2158 2.1361 32.3242 +1.28e+07 M107.CB,HB1; M107.HA 912 126 3.5807 1.6718 32.2986 +2.33e+07 K82.CB,HB1; K82.HA 917 126 1.1685 1.5744 32.2938 +3.22e+07 K82.CB,HB2; K82.HG1|HG2 924 126 2.6792 4.8155 32.2619 +1.56e+08 N84.CA,HA; N84.HB1 925 126 2.4647 4.8158 32.2584 +1.38e+08 N84.CA,HA; N84.HB2 1805 127 0.8353 0.2168 32.0900 +3.20e+08 I96.CD1,HD1#; L79.HD1#|HD2# 1065 127 1.6542 0.2166 32.0821 +8.96e+07 I96.CD1,HD1#; I96.HB 1067 127 1.0531 0.2164 32.0819 +3.38e+08 I96.CD1,HD1#; I96.HG11|HG12 1070 127 0.4208 0.2173 32.0761 +3.37e+08 I96.CD1,HD1#; I96.HG2# 1804 127 1.3758 0.2172 32.0743 +3.56e+07 I96.CD1,HD1#; I92.HG11 1801 127 3.7094 0.2176 32.0598 +2.27e+07 I96.CD1,HD1#; T13.HA 1349 128 0.8378 4.3066 32.0227 +5.76e+07 L94.CA,HA; L94.HD2# 381 128 0.9916 2.0439 31.9302 +9.88e+07 V36.CB,HB; V36.HG2# 382 128 0.8591 2.0456 31.9085 +1.40e+08 V36.CB,HB; V36.HG1# 377 128 3.4886 2.0503 31.8917 +4.15e+07 V36.CB,HB; V36.HA ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H-aliphatic . 'not observed' 7211.539 Hz . . . 1918.60 . . 30093 6 2 . . C 13 C-aliphatic . folded 3023.204 Hz . . . 5944.17 . . 30093 6 3 . . H 1 H-aliphatic . 'not observed' 3727.018 Hz . . . 1918.60 . . 30093 6 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 3 $software_3 . . 30093 6 5 $software_5 . . 30093 6 stop_ save_ save_spectral_peak_list_7 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_7 _Spectral_peak_list.Entry_ID 30093 _Spectral_peak_list.ID 7 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 16 _Spectral_peak_list.Sample_label $sample_16 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID . _Spectral_peak_list.Chem_shift_reference_label . _Spectral_peak_list.Experiment_ID 36 _Spectral_peak_list.Experiment_name '13C-edited, 12C-filtered 3D NOESY-HSQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details ; Residue numbering for CikA is offset by 612. For example, residues 613 to 729 in CikA is residue 1 to 117 in this peak list. Residue numbering for KaiB is offset by 200. For example, residue 1 to 106 in KaiB is residue 201 to 306 in this peak list. ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Peak Pick Table, File: c12c13internoesy_v9.PCK # # Input Parameters: DATA DIMCOUNT 3 DATA X_AXIS 256 3606.79 601.13 3607.393 PPM 0.00 DATA Y_AXIS 1024 7211.54 601.13 5409.766 PPM 0.00 DATA Z_AXIS 256 3023.20 151.16 7830.250 PPM 0.00 # FORMAT %4d %4d %9.4f %9.4f %9.4f %+8.2e %10s VARS PkID Sl.Z X Y Z Intensity Assign 934 1 2.3693 1.8781 51.8384 +7.48e+06 **** 1369 8 1.9979 4.8972 51.2925 +9.00e+06 A241.CA,HA; V28.HB 1203 8 0.9832 4.9004 51.2693 +8.63e+06 A241.CA,HA; V28.HG1# 905 11 1.3127 1.8233 51.0286 +9.65e+06 R205.CB,HB2|HB1; T23.HG2# 904 11 1.3107 1.7386 51.0242 +1.23e+07 R205.CB,HB1|HB2; T23.HG2# 1132 16 4.4204 3.9491 50.6288 +4.08e+07 T207.CB,HB; S19.HA 1133 16 4.2749 3.9478 50.6065 +2.56e+07 T207.CB,HB; T22.HB 1134 17 4.0677 3.9477 50.5870 +2.55e+07 T207.CB,HB; S19.HB1|HB2 1135 17 1.1439 3.9495 50.5580 +2.94e+07 T207.CB,HB; T22.HG2# 315 28 1.4866 1.6857 49.6814 +2.41e+07 K226.CD,HD1|HD2; A41.HB# 1179 28 0.7587 1.6976 49.6714 +7.78e+06 K226.CD,HD1|HD2; L42.HD2# 316 28 4.1463 1.6847 49.6631 +1.41e+07 K226.CD,HD1|HD2; A41.HA 950 38 3.0156 1.6596 48.9094 +2.83e+07 **** 951 40 2.8703 1.6773 48.7927 +1.36e+07 **** 388 53 0.7626 0.8974 47.7202 +1.43e+07 I245.CG1,HG12|HG11; V32.HG1#|HG2# 389 54 0.7507 0.7226 47.6987 +1.47e+07 I245.CG1,HG11|HG12; V32.HG1#|HG2# 935 55 4.0841 2.0213 47.5691 +8.67e+06 **** 1106 59 3.0383 1.6213 47.2983 +9.55e+06 **** 1104 59 4.0335 1.6257 47.2939 +1.23e+07 R205.CG,HG1|HG2; S19.HB1|HB2 1103 59 4.3747 1.6251 47.2742 +9.44e+06 R205.CG,HG1|HG2; T23.HB 906 59 1.3122 1.6210 47.2636 +2.32e+07 R205.CG,HG1|HG2; T23.HG2# 294 61 0.7546 1.5090 47.1491 +1.33e+07 L225.CG,HG; L42.HD2# 760 61 0.8812 1.5123 47.1057 +1.15e+07 L225.CG,HG; I29.HG2#|HD1# 362 62 0.8728 1.3175 47.0573 +1.02e+07 L242.CG,HG; I29.HG2# 1190 65 0.8947 0.6984 46.8166 +1.90e+07 L232.CD2,HD2#; I29.HD1# 1176 72 0.7729 0.8550 46.2560 +5.78e+07 L225.CD2,HD2#; L42.HD2# 1165 72 3.0314 0.8571 46.2523 +1.34e+07 **** 1297 72 1.8432 0.8565 46.2480 +3.63e+07 **** 1172 72 1.5071 0.8555 46.2475 +3.95e+07 L225.CD2,HD2#; R38.HG2 1299 72 0.8828 0.8556 46.2474 +7.27e+07 **** 1163 72 3.1922 0.8557 46.2449 +1.87e+07 L225.CD2,HD2#; R38.HD1 1162 72 3.8782 0.8552 46.2276 +1.87e+07 **** 1212 74 0.8951 1.0333 46.0829 +8.78e+06 L242.CB,HB2|HB1; I29.HD1# 1210 82 1.5611 0.6596 45.4871 +9.95e+06 L242.CD1,HD1#; I29.HG12 1206 82 5.1241 0.6561 45.4823 +1.80e+07 L242.CD1,HD1#; I29.HA 1211 82 1.3259 0.6589 45.4731 +1.28e+07 L242.CD1,HD1#; I29.HG11 1219 82 0.7619 0.6556 45.4667 +1.61e+07 L242.CD1,HD1#; L42.HD2# 1220 82 0.8909 0.6588 45.4552 +8.36e+07 L242.CD1,HD1#; I29.HG2# 1209 82 1.8992 0.6612 45.4511 +8.65e+06 L242.CD1,HD1#; I29.HB 946 86 0.7262 0.8950 45.1979 +3.38e+07 **** 1124 86 4.3964 0.8954 45.1536 +1.63e+07 L204.CD2,HD2#; A24.HA 1119 86 3.7236 0.8927 45.1519 +2.61e+07 L204.CD2,HD2#; I20.HA 945 86 0.8716 0.8926 45.1454 +5.69e+07 **** 1121 86 1.3168 0.8923 45.1344 +2.52e+07 L204.CD2,HD2#; T23.HG2# 1118 86 4.0726 0.8934 45.1309 +4.54e+07 L204.CD2,HD2#; S19.HB1|HB2 1120 87 1.0959 0.8934 45.1110 +2.29e+07 L204.CD2,HD2#; I20.HG2# 1175 94 0.7714 0.8502 44.5270 +5.84e+07 L225.CD1,HD1#; L42.HD2# 1164 94 3.0660 0.8587 44.5004 +8.54e+06 **** 1173 94 0.8864 0.8516 44.4984 +9.24e+07 L225.CD1,HD1#; L42.HD1# 1166 95 1.8562 0.8531 44.4954 +1.92e+07 L225.CD1,HD1#; R38.HB1 1161 95 3.8676 0.8466 44.4933 +1.03e+07 L225.CD1,HD1#; R38.HA 1171 95 1.5258 0.8466 44.4798 +1.50e+07 L225.CD1,HD1#; R38.HG2 1208 97 3.5904 0.7189 44.3245 +1.03e+07 **** 1296 98 1.8562 0.8556 44.2229 +1.29e+07 **** 1298 98 0.8845 0.7165 44.2229 +3.04e+07 **** 1207 98 5.1349 0.7160 44.1922 +9.87e+06 **** 1115 99 1.3174 0.8588 44.1755 +5.02e+07 L204.CD1,HD1#; T23.HG2# 1113 99 3.7251 0.8602 44.1662 +4.31e+07 L204.CD1,HD1#; I20.HA 1123 99 4.3648 0.8579 44.1656 +3.28e+07 L204.CD1,HD1#; T23.HB 1116 99 1.1159 0.8586 44.1458 +2.56e+07 L204.CD1,HD1#; I20.HG2# 1071 109 1.3165 3.1959 43.3803 +2.80e+07 R205.CD,HD1|HD2; T23.HG2# 1100 109 4.3717 3.1962 43.3776 +1.01e+07 R205.CD,HD1|HD2; T23.HB 1101 109 4.0339 3.1945 43.3756 +1.70e+07 R205.CD,HD1|HD2; S19.HB1|HB2 923 109 3.0793 3.1968 43.3671 +1.21e+08 **** 922 109 3.3122 3.1961 43.3649 +1.11e+08 **** 1154 113 3.8846 0.9137 43.0694 +1.56e+07 V222.CG1,HG1#|HG2#; R38.HA 739 113 2.0171 0.9101 43.0692 +8.24e+06 V222.CG1,HG1#|HG2#; E37.HB1 1156 113 1.4891 0.9153 43.0395 +4.86e+07 V222.CG1,HG1#|HG2#; A41.HB# 1152 113 4.1468 0.9154 43.0298 +1.37e+07 V222.CG1,HG2#|HG1#; A41.HA 926 114 4.2657 4.3879 42.9740 +3.69e+07 **** 927 114 4.5081 4.3900 42.9486 +3.50e+07 **** 954 126 1.4334 1.1280 42.0639 +2.46e+07 **** 952 126 2.8815 2.9992 42.0631 +1.33e+09 **** 953 126 3.1192 2.9990 42.0630 +1.32e+09 **** 1138 126 4.2800 1.1282 42.0602 +8.49e+07 T207.CG2,HG2#; T22.HB 1137 126 4.4120 1.1275 42.0590 +8.04e+07 T207.CG2,HG2#; S19.HA 1141 126 1.3115 1.1277 42.0554 +5.77e+07 T207.CG2,HG2#; T23.HG2# 1142 126 1.1523 1.1281 42.0518 +1.03e+08 T207.CG2,HG2#; T22.HG2# 1140 126 3.9003 1.1362 42.0518 +1.45e+07 T207.CG2,HG2#; C18.HA 1136 126 4.6939 1.1278 42.0509 +2.30e+07 T207.CG2,HG2#; T22.HA 1139 126 4.0497 1.1274 42.0491 +6.03e+07 T207.CG2,HG2#; S19.HB1|HB2 1224 126 3.2020 0.7009 42.0286 +6.75e+06 V244.CG1,HG1#; R38.HD1 1241 126 1.1478 4.4285 42.0268 +9.02e+06 T207.CA,HA; T22.HG2# 974 126 0.8731 0.7139 42.0013 +9.18e+07 V244.CG1,HG1#; L31.HD2# 376 127 4.7980 0.7131 41.9602 +1.29e+07 V244.CG1,HG1#; L31.HA 1191 128 4.1536 3.0579 41.8738 +2.67e+07 K237.CE,HE1|HE2; G25.HA1 784 129 1.8649 3.0125 41.7822 +1.03e+07 K226.CE,HE2|HE1; L42.HG 778 130 1.2169 2.9469 41.7251 +7.14e+06 K226.CE,HE1|HE2; T43.HG2# 1177 130 4.1461 3.0102 41.6874 +1.99e+07 K226.CE,HE2|HE1; A41.HA 317 131 1.4921 2.9468 41.6687 +3.16e+07 K226.CE,HE1|HE2; A41.HB# 318 131 4.1495 2.9471 41.6681 +2.41e+07 K226.CE,HE1|HE2; A41.HA 776 131 1.4916 3.0069 41.6622 +3.27e+07 K226.CE,HE2|HE1; A41.HB# 1178 131 1.2141 3.0009 41.6199 +9.05e+06 K226.CE,HE2|HE1; T43.HG2# 957 132 0.8856 1.0414 41.5959 +1.98e+07 **** 1146 132 3.4765 1.0452 41.5809 +1.84e+07 V209.CG2|CG1,HG2#|HG1#; T15.HA 1148 132 1.2218 1.0420 41.5584 +5.57e+07 V209.CG2|CG1,HG2#|HG1#; T15.HG2# 1144 132 3.9055 1.0417 41.5547 +8.73e+06 V209.CG2|CG1,HG2#|HG1#; C18.HA 958 132 1.0156 1.0375 41.5520 +8.14e+06 **** 1143 133 4.1195 1.0416 41.4922 +1.04e+07 V209.CG2|CG1,HG2#|HG1#; T15.HB 1153 134 4.1526 0.9082 41.3891 +2.50e+07 V222.CG2,HG2#|HG1#; A41.HA 1225 134 3.1938 0.7382 41.3812 +1.94e+07 V244.CG2,HG2#; R38.HD1 380 135 4.7900 0.7315 41.3687 +9.81e+06 V244.CG2,HG2#; L31.HA 1155 135 3.8818 0.9093 41.3672 +1.44e+07 V222.CG2,HG2#|HG1#; R38.HA 959 135 3.6103 0.8894 41.3666 +1.05e+07 **** 1157 135 1.4888 0.9104 41.3636 +8.52e+07 V222.CG2,HG2#|HG1#; A41.HB# 1226 135 3.0292 0.7369 41.3634 +1.24e+07 V244.CG2,HG2#; R38.HD2 975 135 0.8088 0.7372 41.3576 +6.25e+07 V244.CG2,HG2#; L31.HD1# 962 135 0.8822 0.9000 41.3226 +3.11e+07 **** 963 136 0.7749 0.9078 41.2772 +3.33e+07 **** 961 136 1.0243 0.9053 41.2522 +2.43e+07 **** 1194 138 4.2675 1.4884 41.1054 +9.65e+06 A241.CB,HB#; T22.HB 1196 138 3.4727 1.4870 41.0982 +1.43e+07 A241.CB,HB#; T15.HA 1198 138 2.3472 1.4818 41.0803 +2.13e+07 A241.CB,HB#; C18.HB2 1192 138 5.0886 1.4858 41.0760 +7.90e+06 A241.CB,HB#; V28.HA 1199 138 2.0053 1.4837 41.0713 +5.15e+07 A241.CB,HB#; V28.HB 1197 138 3.1508 1.4871 41.0683 +1.99e+07 A241.CB,HB#; C18.HB1 1201 139 1.1712 1.4820 41.0567 +2.02e+07 A241.CB,HB#; T22.HG2# 1195 139 3.9022 1.4863 41.0495 +3.58e+07 A241.CB,HB#; C18.HA 845 139 0.9838 1.4855 41.0198 +4.21e+07 A241.CB,HB#; V28.HG1# 847 139 0.9128 1.4855 41.0198 +4.57e+07 A241.CB,HB#; V28.HG2# 1193 139 4.4267 1.4836 40.9823 +7.21e+06 A241.CB,HB#; S19.HA 385 154 0.7626 4.0089 39.8428 +2.46e+07 I245.CA,HA; V32.HG1#|HG2# 390 161 0.7621 0.7599 39.2746 +4.38e+07 I245.CG2,HG2#; V32.HG1#|HG2# 391 162 2.3526 0.7696 39.2596 +6.59e+06 I245.CG2,HG2#; V32.HB 979 174 1.5210 1.4239 38.2920 +3.19e+07 **** 1184 187 1.8719 1.2566 37.2771 +1.28e+07 A229.CB,HB#; L42.HG 1185 187 0.7553 1.2552 37.2534 +7.13e+07 A229.CB,HB#; L42.HD2# 1182 187 1.5444 1.2582 37.2489 +1.09e+07 A229.CB,HB#; I29.HG12 1181 187 4.1082 1.2515 37.2472 +1.44e+07 A229.CB,HB#; L42.HA 1186 187 0.8893 1.2557 37.2461 +1.31e+08 A229.CB,HB#; I29.HD1# 1183 188 1.3618 1.2553 37.2225 +2.16e+07 A229.CB,HB#; I29.HG11 1127 202 4.0765 4.3297 36.0874 +1.12e+07 K206.CA,HA; S19.HB1|HB2 978 205 1.3162 4.3344 35.8991 +8.35e+06 **** 903 207 1.3286 4.3681 35.7101 +7.81e+06 R205.CA,HA; T23.HG2# 977 207 4.2158 4.3312 35.7078 +3.89e+07 **** 976 208 4.4478 4.3306 35.6291 +3.90e+07 **** 1109 211 4.4443 4.3279 35.3948 +3.10e+07 R205.CA,HA; S19.HA 924 213 4.1823 4.3006 35.2606 +1.65e+07 **** 200 215 1.3144 4.2934 35.0999 +3.55e+07 L204.CA,HA; T23.HG2# 1228 227 0.7528 0.2609 34.1598 +7.45e+07 I245.CD1,HD1#; V32.HG1# 392 227 2.3612 0.2623 34.1337 +7.40e+06 I245.CD1,HD1#; V32.HB 1222 237 4.7820 1.8993 33.3346 +8.42e+06 V244.CB,HB; L31.HA 1227 237 0.8074 1.8935 33.3337 +2.00e+07 V244.CB,HB; L31.HD1# 930 255 1.7564 1.8655 31.9630 +1.32e+07 **** 928 256 2.3719 2.2589 31.9123 +1.45e+07 **** 929 256 1.9800 1.8680 31.9025 +1.27e+07 **** 931 256 2.1405 1.8604 31.8923 +9.88e+06 **** 933 256 1.9870 2.2526 31.8846 +9.04e+06 **** 932 256 1.7591 2.2568 31.8826 +6.46e+06 **** ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H-aliphatic . 'not observed' 7211.539 Hz . . . 1918.60 . . 30093 7 2 . . C 13 C-aliphatic . folded 3023.204 Hz . . . 5944.17 . . 30093 7 3 . . H 1 H-aliphatic . 'not observed' 3606.792 Hz . . . 1918.60 . . 30093 7 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 3 $software_3 . . 30093 7 5 $software_5 . . 30093 7 stop_ save_ save_spectral_peak_list_8 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_8 _Spectral_peak_list.Entry_ID 30093 _Spectral_peak_list.ID 8 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 3 _Spectral_peak_list.Sample_label $sample_3 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID . _Spectral_peak_list.Chem_shift_reference_label . _Spectral_peak_list.Experiment_ID 30 _Spectral_peak_list.Experiment_name '3D 15N edited 1H-15N NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Peak Pick Table, File: n15noesy_v9.PCK # # Input Parameters: DATA DIMCOUNT 3 DATA X_AXIS 1024 4807.69 601.13 7532.627 PPM 0.00 DATA Y_AXIS 256 5590.54 601.13 5301.822 PPM 0.00 DATA Z_AXIS 128 1583.90 60.92 8062.541 PPM 0.00 # FORMAT %4d %4d %9.4f %9.4f %9.4f %+8.2e %10s VARS PkID Sl.Z X Y Z Intensity Assign 704 10 9.4798 1.3672 130.5066 +8.74e+06 K243.N,HN; K243.HB1|HB2 290 10 9.4657 0.8676 130.4951 +1.14e+07 K243.N,HN; V209.HG1#|HG2# 288 10 9.4643 0.7068 130.4766 +2.72e+07 K243.N,HN; L242.HD2# 291 10 9.4625 5.0814 130.4610 +2.62e+07 K243.N,HN; L242.HA 705 11 9.4551 1.1396 130.3782 +1.04e+07 K243.N,HN; K243.HB2|HB1 430 13 9.0634 5.4734 129.9338 +8.20e+06 L265.N,HN; L265.HA 427 13 9.0663 1.3390 129.8573 +1.04e+07 L265.N,HN; L265.HG 428 13 9.0670 1.9166 129.8450 +1.09e+07 L265.N,HN; L265.HB1|HB2 426 13 9.0613 1.1228 129.8342 +3.32e+07 L265.N,HN; T264.HG2# 431 13 9.0605 4.8173 129.8229 +3.48e+07 L265.N,HN; T264.HA 437 22 9.6028 5.1513 128.1689 +7.13e+06 A266.N,HN; L212.HA 436 22 9.6013 5.4515 128.0680 +2.51e+07 A266.N,HN; L265.HA 433 22 9.6015 1.2962 128.0636 +2.97e+07 A266.N,HN; A266.HB# 432 22 9.5998 0.7842 128.0446 +3.73e+07 A266.N,HN; L265.HD1# 297 22 8.7492 0.2558 128.0293 +1.13e+07 I245.N,HN; I245.HD1# 298 22 8.7553 1.3066 128.0078 +1.56e+07 I245.N,HN; I245.HB 300 22 8.7503 4.7844 127.9874 +2.14e+07 I245.N,HN; V244.HA 706 23 8.7483 0.7216 127.9787 +4.33e+07 I245.N,HN; I245.HG11|HG12 413 23 8.2052 4.3302 127.8204 +8.27e+06 L260.N,HN; L260.HA 409 24 8.2018 0.4532 127.7211 +8.53e+06 L260.N,HN; I259.HG2# 412 24 8.1992 3.9128 127.7084 +1.65e+07 L260.N,HN; I259.HA 731 24 8.2003 1.5316 127.6731 +1.90e+07 L260.N,HN; L260.HB1|HB2 410 24 8.2018 0.8213 127.6583 +7.69e+06 L260.N,HN; L260.HD1# 37 27 8.6859 0.4415 127.0350 +1.27e+07 L210.N,HN; L210.HD1# 39 28 8.6828 1.0299 126.9348 +1.25e+07 L210.N,HN; V209.HG2#|HG1# 664 28 8.6775 1.4567 126.9342 +1.13e+07 L210.N,HN; L210.HG 38 28 8.6834 0.8893 126.9281 +2.16e+07 L210.N,HN; V209.HG1#|HG2# 44 28 8.6839 4.7746 126.9139 +2.59e+07 L210.N,HN; V209.HA 45 28 8.6777 5.0719 126.8728 +1.04e+07 L210.N,HN; L210.HA 296 29 8.5697 5.6142 126.7132 +1.26e+07 V244.N,HN; K243.HA 293 29 8.5707 1.8864 126.6713 +1.16e+07 V244.N,HN; V244.HB 292 29 8.5682 0.7126 126.6631 +3.32e+07 V244.N,HN; V244.HG1# 818 29 8.5691 5.0822 126.5979 +6.07e+06 V244.N,HN; K211.HA 59 30 9.1773 0.4793 126.4605 +6.09e+06 Y213.N,HN; I259.HG2# 57 30 9.1853 0.7768 126.3739 +3.13e+07 Y213.N,HN; L212.HD1# 60 31 9.1941 2.8330 126.3549 +6.17e+06 Y213.N,HN; Y213.HB1|HB2 61 31 9.1831 5.1517 126.3188 +1.44e+07 Y213.N,HN; L212.HA 302 31 8.7030 0.7443 126.1722 +2.73e+07 D246.N,HN; I245.HG2# 305 31 8.7115 3.0314 126.1678 +9.45e+06 D246.N,HN; D246.HB1|HB2 306 32 8.7035 4.0167 126.1467 +2.56e+07 D246.N,HN; I245.HA 304 32 8.6989 2.2372 126.1362 +1.01e+07 D246.N,HN; D246.HB2|HB1 21 33 8.1914 1.1223 125.9303 +3.24e+07 A208.N,HN; T207.HG2# 24 33 8.1913 3.9528 125.9262 +3.91e+07 A208.N,HN; T207.HB 22 33 8.1924 1.5595 125.9221 +7.37e+07 A208.N,HN; A208.HB# 26 33 8.1906 4.8513 125.9212 +2.11e+07 A208.N,HN; A208.HA 25 33 8.1920 4.4174 125.9159 +9.09e+07 A208.N,HN; T207.HA 52 33 9.1100 1.3146 125.8957 +9.02e+06 L212.N,HN; I245.HB 50 33 9.1337 0.2653 125.8924 +5.62e+06 L212.N,HN; I245.HD1# 23 33 8.1900 3.5818 125.8830 +7.32e+06 A208.N,HN; P270.HD1|HD2 459 33 8.6028 0.9066 125.8648 +3.31e+07 R274.N,HN; V273.HG2# 467 33 8.6036 4.5124 125.8620 +4.29e+07 R274.N,HN; V273.HA 28 33 8.1932 5.4765 125.8539 +1.06e+07 A208.N,HN; Y240.HA 741 33 8.6007 1.6722 125.8529 +1.87e+07 R274.N,HN; R274.HB1|HB2 668 33 9.1104 4.7692 125.8483 +8.43e+06 L212.N,HN; V244.HA 18 33 8.1939 0.0658 125.8413 +8.40e+06 A208.N,HN; V239.HG1# 667 33 9.1185 0.7276 125.8365 +3.14e+07 L212.N,HN; L212.HD2# 462 33 8.5915 0.7551 125.8316 +1.01e+07 R274.N,HN; L293.HD1#|HD2# 53 33 9.1064 1.4171 125.8303 +8.29e+06 L212.N,HN; L212.HG 20 33 8.1955 0.9008 125.8277 +7.41e+06 A208.N,HN; V209.HG1#|HG2# 54 33 9.1199 5.0829 125.8178 +2.24e+07 L212.N,HN; K211.HA 470 37 8.8853 4.3206 125.0621 +7.84e+06 I276.N,HN; I276.HA 471 37 8.8857 4.7418 124.9704 +2.20e+07 I276.N,HN; R275.HA 744 37 8.8848 1.2999 124.9690 +1.60e+07 I276.N,HN; I276.HG11|HG12 747 37 8.8854 0.7461 124.9584 +2.23e+07 I276.N,HN; I276.HG2# 748 37 8.8855 1.7858 124.9435 +1.77e+07 I276.N,HN; I276.HB 779 38 8.8999 1.1237 124.8817 +1.82e+07 I276.N,HN; T264.HG2# 281 38 8.9216 1.4770 124.8469 +3.77e+07 A241.N,HN; A241.HB# 283 38 8.9209 5.4823 124.8451 +3.13e+07 A241.N,HN; Y240.HA 750 39 8.1523 0.7972 124.5660 +3.29e+07 I277.N,HN; I276.HG2# 477 39 8.1524 4.3084 124.5564 +2.64e+07 I277.N,HN; I276.HA 476 39 8.1559 1.8173 124.5520 +2.31e+07 I277.N,HN; I277.HB 442 39 8.9898 0.7494 124.5497 +1.44e+07 K267.N,HN; L293.HD1#|HD2# 475 40 8.1491 1.4474 124.5135 +1.41e+07 I277.N,HN; I277.HG12|HG11 474 40 8.1513 1.1758 124.4960 +1.21e+07 I277.N,HN; I277.HG11|HG12 445 40 8.9969 5.3179 124.4895 +2.62e+07 K267.N,HN; A266.HA 446 40 8.9929 4.7341 124.4890 +1.42e+07 K267.N,HN; K267.HA 441 40 8.9941 1.2921 124.4825 +3.45e+07 K267.N,HN; A266.HB# 443 40 8.9877 0.8824 124.4811 +9.85e+06 K267.N,HN; V268.HG2#|HG1# 439 40 8.9927 0.4534 124.4241 +7.16e+06 K267.N,HN; L210.HD1# 629 41 7.9322 4.3313 124.2048 +6.44e+07 K301.N,HN; K301.HA 627 41 7.9311 1.7564 124.2031 +4.59e+07 K301.N,HN; K301.HB1|HB2 630 41 7.9308 4.4899 124.1989 +2.24e+08 K301.N,HN; Y300.HA 625 41 7.9311 1.3585 124.1974 +4.28e+07 K301.N,HN; K301.HG1|HG2 628 41 7.9311 3.0134 124.1971 +4.75e+07 K301.N,HN; Y300.HB1|HB2 626 41 7.9329 1.6723 124.1942 +7.59e+07 K301.N,HN; K301.HB2|HB1 74 44 8.2809 4.7566 123.7044 +2.12e+07 A215.N,HN; V214.HA 70 44 8.2753 1.1894 123.6771 +3.41e+07 A215.N,HN; A215.HB# 73 44 8.2803 2.2123 123.6743 +1.86e+07 A215.N,HN; V214.HB 71 44 8.2749 0.8288 123.6731 +2.83e+07 A215.N,HN; V214.HG1#|HG2# 72 44 8.2750 0.6427 123.6417 +1.45e+07 A215.N,HN; V214.HG2#|HG1# 478 46 8.2189 4.0517 123.2732 +1.42e+07 L280.N,HN; L280.HA 753 46 8.2166 0.6984 123.2504 +1.99e+07 L280.N,HN; L280.HD1# 479 46 8.2192 4.5247 123.2369 +3.48e+07 L280.N,HN; D279.HA 752 46 8.2149 1.6620 123.2197 +2.52e+07 L280.N,HN; L280.HB2|HB1 541 48 8.4711 1.6043 122.7886 +1.11e+07 R291.N,HN; A294.HB# 546 48 8.4711 4.2793 122.7691 +1.58e+07 R291.N,HN; R291.HA 544 48 8.4747 3.2354 122.7690 +5.84e+06 R291.N,HN; R291.HD2|HD1 770 48 8.4702 2.0719 122.7198 +2.65e+07 R291.N,HN; R291.HB1|HB2 543 48 8.4689 0.9314 122.7109 +1.12e+07 R291.N,HN; L292.HD2# 542 48 8.4670 1.8313 122.7077 +1.42e+07 R291.N,HN; R291.HG2|HG1 545 49 8.4702 3.8908 122.6992 +7.11e+06 R291.N,HN; L290.HA 109 49 8.1856 4.3476 122.6466 +7.90e+07 K206.N,HN; R205.HA 108 49 8.2013 3.7632 122.6459 +7.92e+06 V222.N,HN; S221.HB1|HB2 101 49 8.1831 1.7644 122.6393 +3.46e+07 K206.N,HN; K206.HB1|HB2 103 49 8.1848 1.6657 122.6356 +4.57e+07 K206.N,HN; K206.HB2|HB1 104 49 8.1863 1.4252 122.6310 +2.18e+07 K206.N,HN; K206.HG1|HG2 107 49 8.1997 3.2572 122.5913 +6.25e+06 V222.N,HN; R223.HD1|HD2 110 49 8.1931 4.1475 122.5752 +1.32e+07 V222.N,HN; S221.HA 99 49 8.1913 0.9059 122.5560 +1.19e+08 V222.N,HN; V222.HG2#|HG1# 106 49 8.1921 3.5535 122.5559 +2.33e+07 V222.N,HN; V222.HA 310 49 9.4236 0.6484 122.5517 +1.05e+07 V247.N,HN; V214.HG2#|HG1# 100 49 8.1902 1.9995 122.5377 +5.38e+07 V222.N,HN; V222.HB 307 49 9.4345 0.9116 122.5174 +3.79e+07 V247.N,HN; V247.HG1# 308 49 9.4357 1.0447 122.5135 +3.01e+07 V247.N,HN; V247.HG2# 823 49 9.4301 1.2011 122.5117 +7.79e+06 V247.N,HN; A215.HB# 312 50 9.4350 3.8543 122.4799 +1.10e+07 V247.N,HN; V247.HA 313 50 9.4383 5.2120 122.4748 +2.24e+07 V247.N,HN; D246.HA 703 50 7.6345 5.0703 122.4744 +8.18e+06 L242.N,HN; L242.HA 311 50 9.4382 2.2976 122.4561 +1.03e+07 V247.N,HN; V247.HB 701 50 7.6305 0.6841 122.4431 +2.13e+07 L242.N,HN; L242.HD1# 287 50 7.6279 4.9062 122.4303 +1.98e+07 L242.N,HN; A241.HA 700 50 7.6329 1.0372 122.4279 +1.24e+07 L242.N,HN; L242.HB2|HB1 285 50 7.6312 1.4703 122.3827 +2.81e+07 L242.N,HN; A241.HB# 124 50 7.5415 3.7653 122.3715 +9.10e+06 A224.N,HN; L225.HA 805 50 7.5362 4.4538 122.3678 +5.60e+06 A224.N,HN; N220.HA 673 50 7.5412 3.5421 122.3531 +6.84e+06 A224.N,HN; P263.HD2|HD1 121 50 7.5379 1.6332 122.3485 +1.40e+07 A224.N,HN; R223.HG1|HG2 122 50 7.5375 1.9076 122.3461 +4.28e+07 A224.N,HN; R223.HB1|HB2 123 50 7.5386 4.0409 122.3447 +4.11e+07 A224.N,HN; A224.HA 804 50 7.5324 4.3174 122.3426 +6.16e+06 A224.N,HN; S281.HA 119 50 7.5380 1.4247 122.3397 +9.23e+07 A224.N,HN; A224.HB# 671 50 7.5344 0.8378 122.3257 +1.27e+07 A224.N,HN; V214.HG1#|HG2# 4 52 8.0378 3.1942 121.9896 +6.31e+06 L204.N,HN; R205.HD1|HD2 661 52 8.0815 1.7547 121.9863 +5.06e+07 R205.N,HN; R205.HB1|HB2 795 52 8.0817 4.3066 121.9748 +1.65e+08 R205.N,HN; L204.HA 8 52 8.0835 0.8675 121.9680 +2.86e+07 R205.N,HN; L204.HD1# 5 52 8.0330 3.6255 121.9415 +7.74e+06 L204.N,HN; P203.HD1|HD2 9 52 8.0830 3.1899 121.9295 +7.25e+06 R205.N,HN; R205.HD1|HD2 2 52 8.0336 2.0278 121.9258 +1.97e+07 L204.N,HN; P203.HG1|HG2 659 52 8.0335 1.6014 121.9232 +1.90e+08 L204.N,HN; L204.HB1|HB2 3 52 8.0322 2.2559 121.9136 +3.47e+07 L204.N,HN; P203.HB1|HB2 660 52 8.0341 0.8708 121.9114 +4.32e+07 L204.N,HN; L204.HD2# 1 52 8.0335 1.8628 121.8980 +3.21e+07 L204.N,HN; P203.HB2|HB1 633 53 8.1453 1.3595 121.8688 +1.17e+07 D302.N,HN; K301.HG1|HG2 631 53 8.1460 4.3277 121.8629 +1.43e+08 D302.N,HN; K301.HA 263 54 7.4479 3.0534 121.5321 +8.57e+06 K237.N,HN; K237.HE1|HE2 254 54 7.4385 1.5234 121.4820 +2.26e+07 K237.N,HN; K237.HG2|HG1 256 55 7.4354 1.3085 121.4632 +1.22e+07 K237.N,HN; K237.HG1|HG2 264 55 7.4409 4.2019 121.4510 +3.59e+07 K237.N,HN; K237.HA 255 55 7.4401 1.9082 121.4400 +5.91e+07 K237.N,HN; K237.HB1|HB2 697 55 7.4392 1.6959 121.4400 +5.67e+07 K237.N,HN; K237.HB2|HB1 265 55 7.4403 4.7869 121.4274 +3.24e+07 K237.N,HN; F236.HA 260 55 7.4420 0.7647 121.4156 +9.29e+06 K237.N,HN; V239.HG2# 530 55 7.6225 3.7079 121.4050 +1.74e+07 A289.N,HN; I288.HA 529 55 7.6254 3.4719 121.3868 +1.70e+07 A289.N,HN; V286.HA 528 55 7.6249 1.8729 121.3741 +5.36e+07 A289.N,HN; I288.HB 527 55 7.6236 1.4322 121.3734 +1.09e+08 A289.N,HN; A289.HB# 525 55 7.6237 0.9507 121.3684 +5.14e+07 A289.N,HN; I288.HG2# 531 55 7.6247 4.0627 121.3619 +4.76e+07 A289.N,HN; A289.HA 791 55 7.7229 0.9067 121.3258 +8.60e+06 A294.N,HN; I297.HG2# 418 56 7.6048 1.5532 121.2717 +3.10e+07 A261.N,HN; L260.HB1|HB2 421 56 7.5966 4.5661 121.2708 +1.72e+07 A261.N,HN; A261.HA 420 56 7.6043 4.3124 121.2428 +1.39e+07 A261.N,HN; L260.HA 416 56 7.5955 0.4614 121.2175 +3.20e+07 A261.N,HN; I259.HG2# 685 56 8.3654 2.3900 121.2135 +2.82e+07 V273.N,HN; P272.HB1|HB2 738 56 8.3645 4.6000 121.2068 +5.17e+07 V273.N,HN; P272.HA 792 56 7.7215 4.2712 121.2056 +1.07e+07 A294.N,HN; R291.HA 684 56 8.3636 1.9864 121.2055 +7.95e+07 V273.N,HN; V273.HB 417 56 7.5980 1.2616 121.2033 +5.32e+07 A261.N,HN; A261.HB# 558 56 7.7194 1.5829 121.1969 +1.21e+08 A294.N,HN; A294.HB# 682 56 8.3630 1.1381 121.1954 +9.96e+07 L228.N,HN; T227.HG2# 559 56 7.7175 1.8110 121.1918 +1.95e+07 A294.N,HN; L293.HB1|HB2 790 56 7.7138 0.7572 121.1916 +2.02e+07 A294.N,HN; L293.HD1#|HD2# 683 56 8.3636 0.8957 121.1897 +4.77e+07 V273.N,HN; V273.HG2# 562 56 7.7184 4.0648 121.1879 +4.17e+07 A294.N,HN; A294.HA 737 56 8.3641 4.1342 121.1826 +2.25e+07 V273.N,HN; P271.HA 739 56 8.3647 3.7375 121.1815 +1.06e+07 L228.N,HN; A229.HA 419 56 7.6029 3.9204 121.1798 +1.32e+07 A261.N,HN; I259.HA 560 56 7.7157 2.1554 121.1576 +1.47e+07 A294.N,HN; E295.HB1|HB2 172 56 8.3551 4.3492 121.1466 +2.24e+07 L228.N,HN; T227.HB 666 56 9.2483 1.2938 121.1407 +1.69e+07 K211.N,HN; A266.HB# 167 56 8.3563 1.5019 121.1374 +3.43e+07 L228.N,HN; L228.HB2|HB1 169 56 8.3545 1.8100 121.1358 +4.59e+07 L228.N,HN; L228.HB1|HB2 46 56 9.2493 0.4399 121.1347 +1.44e+07 K211.N,HN; L210.HD1# 665 56 9.2481 0.8306 121.1337 +1.78e+07 K211.N,HN; V268.HG1#|HG2# 171 56 8.3554 3.9401 121.1309 +3.17e+07 L228.N,HN; L228.HA 168 56 8.3589 1.6292 121.1264 +2.20e+07 L228.N,HN; L228.HG 34 56 8.7971 2.0020 121.1247 +1.94e+07 V209.N,HN; V209.HB 32 56 8.8013 1.0276 121.1172 +3.02e+07 V209.N,HN; V209.HG2#|HG1# 31 56 8.8039 0.8939 121.1159 +1.98e+07 V209.N,HN; V209.HG1#|HG2# 49 56 9.2487 5.0546 121.1037 +2.45e+07 K211.N,HN; L210.HA 33 56 8.8007 1.5605 121.0946 +5.44e+07 V209.N,HN; A208.HB# 36 56 8.7995 4.8555 121.0937 +5.23e+07 V209.N,HN; A208.HA 616 57 7.8630 1.3585 120.9735 +6.88e+06 Y300.N,HN; K301.HG1|HG2 622 57 7.8716 3.9519 120.9498 +2.08e+07 Y300.N,HN; G298.HA1|HA2 614 57 7.8694 0.8968 120.9230 +9.81e+06 Y300.N,HN; I297.HG2# 618 57 7.8654 2.5561 120.9069 +2.80e+07 Y300.N,HN; D299.HB2|HB1 621 57 7.8677 4.6815 120.9052 +1.19e+08 Y300.N,HN; D299.HA 619 57 7.8670 3.0128 120.9038 +2.07e+08 Y300.N,HN; Y300.HB1|HB2 617 57 7.8670 2.6917 120.9009 +2.84e+07 Y300.N,HN; D299.HB1|HB2 620 57 7.8675 4.4910 120.8982 +8.19e+07 Y300.N,HN; Y300.HA 487 58 7.5193 4.7782 120.8326 +8.64e+06 N282.N,HN; N282.HA 488 58 7.5248 4.0566 120.8033 +6.56e+06 N282.N,HN; L280.HA 485 58 7.5186 3.0668 120.7561 +1.09e+07 N282.N,HN; N282.HB1|HB2 486 58 7.5252 2.6783 120.7384 +9.83e+06 N282.N,HN; N282.HB2|HB1 549 59 8.0299 3.2499 120.6008 +6.58e+06 L292.N,HN; R291.HD2|HD1 512 59 7.9545 3.6246 120.5864 +1.31e+07 V286.N,HN; R283.HA 511 59 7.9604 3.4687 120.5601 +2.24e+07 V286.N,HN; V286.HA 771 59 8.0201 1.6119 120.5578 +3.80e+07 L292.N,HN; L292.HB2|HB1 507 59 7.9577 0.7835 120.5532 +2.82e+07 V286.N,HN; I231.HD1# 510 59 7.9536 2.9924 120.5481 +1.69e+07 V286.N,HN; K285.HE1|HE2 763 59 7.9619 1.9939 120.5431 +5.15e+07 V286.N,HN; V286.HB 548 59 8.0205 1.4266 120.5396 +1.32e+07 L292.N,HN; A289.HB# 772 59 8.0234 1.8565 120.5391 +8.03e+07 L292.N,HN; L292.HG 508 59 7.9564 1.4185 120.5319 +9.72e+06 V286.N,HN; K285.HG1|HG2 547 59 8.0217 0.9053 120.5263 +5.60e+07 L292.N,HN; L292.HD2# 509 59 7.9563 2.3127 120.5243 +1.29e+07 V286.N,HN; E284.HG1|HG2 550 59 8.0193 4.1634 120.5233 +4.76e+07 L292.N,HN; L292.HA 725 60 8.0132 2.0747 120.4181 +1.49e+08 E256.N,HN; E256.HB1|HB2 726 60 8.0127 2.3134 120.4091 +5.38e+07 E256.N,HN; E256.HG2|HG1 551 60 8.0115 4.0084 120.4002 +6.51e+07 E256.N,HN; E256.HA 380 60 8.0124 3.8296 120.3348 +9.49e+06 E256.N,HN; A254.HA 450 60 8.5387 4.7046 120.3207 +1.86e+07 V268.N,HN; K267.HA 449 60 8.5441 4.5640 120.3176 +9.51e+06 V268.N,HN; V268.HA 447 60 8.5434 0.4469 120.3145 +7.20e+06 V268.N,HN; L210.HD1# 736 60 8.5383 0.8597 120.3017 +3.06e+07 V268.N,HN; V268.HG1#|HG2# 448 60 8.5340 1.5584 120.2790 +1.23e+07 V268.N,HN; K211.HD1|HD2 516 61 8.3097 1.9784 120.2350 +3.31e+07 L287.N,HN; V286.HB 514 61 8.3126 0.7954 120.2270 +2.85e+07 L287.N,HN; I231.HD1# 519 61 8.3081 4.0005 120.2136 +4.58e+07 L287.N,HN; E284.HA 515 61 8.3106 0.9478 120.2069 +5.92e+07 L287.N,HN; L287.HD1# 517 61 8.3041 3.4778 120.2063 +1.09e+07 L287.N,HN; V286.HA 765 61 8.3104 1.8180 120.2055 +8.27e+07 L287.N,HN; L287.HB2|HB1 611 62 7.8763 3.0307 120.0092 +7.72e+06 D299.N,HN; Y300.HB1|HB2 609 62 7.8666 2.5572 119.9840 +5.74e+07 D299.N,HN; D299.HB2|HB1 612 62 7.8649 4.6802 119.9832 +4.90e+07 D299.N,HN; D299.HA 610 62 7.8654 2.6844 119.9794 +4.05e+07 D299.N,HN; D299.HB1|HB2 613 62 7.8644 3.9426 119.9755 +5.92e+07 D299.N,HN; G298.HA1|HA2 198 62 7.9801 3.0467 119.9652 +1.31e+07 I231.N,HN; N230.HB1|HB2 197 62 7.9908 1.9292 119.9627 +5.96e+07 I231.N,HN; I231.HB 202 62 7.9902 4.1647 119.9574 +8.54e+06 I231.N,HN; I232.HA 200 62 7.9882 3.9243 119.9515 +3.56e+07 I231.N,HN; I231.HA 357 62 7.3990 3.7156 119.9001 +5.77e+06 L253.N,HN; P251.HD1|HD2 353 62 7.3991 2.4242 119.8774 +1.63e+07 L253.N,HN; Q252.HG2|HG1 355 62 7.3954 4.2044 119.8767 +3.50e+07 L253.N,HN; L253.HA 199 62 7.9856 2.8908 119.8725 +1.61e+07 I231.N,HN; N230.HB2|HB1 717 63 7.3964 0.8950 119.8423 +4.33e+07 L253.N,HN; L253.HD1# 718 63 7.3956 1.7232 119.8315 +4.67e+07 L253.N,HN; L253.HG 352 63 7.3958 2.1176 119.8315 +2.61e+07 L253.N,HN; Q252.HB1|HB2 351 63 7.3979 1.4087 119.8059 +1.79e+07 L253.N,HN; A254.HB# 366 63 7.2130 4.2042 119.7867 +2.33e+07 A254.N,HN; L253.HA 365 63 7.2124 3.8406 119.7760 +3.05e+07 A254.N,HN; A254.HA 360 63 7.2109 0.8887 119.7694 +2.16e+07 A254.N,HN; L253.HD1# 361 63 7.2129 1.4106 119.7642 +9.42e+07 A254.N,HN; A254.HB# 363 63 7.2172 1.6694 119.7630 +1.82e+07 A254.N,HN; L253.HB2|HB1 364 63 7.2142 2.0748 119.7387 +1.81e+07 A254.N,HN; E255.HB1|HB2 367 63 7.2141 4.4280 119.7286 +1.46e+07 A254.N,HN; P251.HA 359 63 7.4042 4.4443 119.7062 +1.01e+07 L253.N,HN; P251.HA 453 64 7.3410 0.8632 119.5745 +5.32e+07 L269.N,HN; V268.HG1#|HG2# 456 64 7.3432 2.1647 119.5727 +1.78e+07 L269.N,HN; V268.HB 458 64 7.3455 4.7271 119.5616 +1.46e+07 L269.N,HN; K267.HA 455 64 7.3446 2.0063 119.5516 +1.49e+07 L269.N,HN; V209.HB 213 64 8.6023 3.6994 119.5489 +7.97e+06 L232.N,HN; A229.HA 457 64 7.3436 4.4624 119.5436 +2.23e+07 L269.N,HN; L269.HA 399 64 7.8553 -0.0759 119.5176 +8.23e+06 I259.N,HN; I259.HG12|HG11 402 64 7.8672 0.9331 119.5087 +1.75e+07 I259.N,HN; V247.HG1# 203 64 8.6056 0.7109 119.4736 +2.92e+07 L232.N,HN; L232.HD2# 210 64 8.6044 4.1874 119.4696 +1.23e+07 L232.N,HN; L232.HA 404 64 7.8577 1.4034 119.4692 +1.64e+07 I259.N,HN; A254.HB# 407 64 7.8590 3.7821 119.4626 +3.34e+07 I259.N,HN; K258.HA 208 64 8.6040 1.9522 119.4549 +2.62e+07 L232.N,HN; I231.HB 405 64 7.8598 1.6259 119.4527 +3.26e+07 I259.N,HN; I259.HB 784 64 8.6046 1.7148 119.4498 +1.30e+07 L232.N,HN; L232.HB2|HB1 401 65 7.8562 0.4554 119.4443 +1.46e+07 I259.N,HN; I259.HG2# 400 65 7.8588 0.0754 119.4417 +1.73e+07 I259.N,HN; I259.HD1# 211 65 8.6169 3.9191 119.4163 +9.64e+06 L232.N,HN; I231.HA 636 65 7.7907 0.9023 119.3480 +7.15e+06 E296.N,HN; I297.HG2# 777 65 7.7881 2.3457 119.3437 +2.80e+07 E296.N,HN; E296.HG2 580 65 7.7874 2.1647 119.3402 +9.18e+07 E296.N,HN; E296.HB1|HB2 583 65 7.7894 4.2483 119.3325 +3.86e+07 E296.N,HN; E296.HA 578 65 7.7926 1.5804 119.3158 +1.45e+07 E296.N,HN; A294.HB# 584 65 7.7868 4.1439 119.2805 +3.38e+07 E296.N,HN; E295.HA 574 65 7.7901 0.7661 119.2778 +9.47e+06 E296.N,HN; L293.HD1#|HD2# 179 66 8.4239 2.8902 119.2272 +5.93e+06 A229.N,HN; N230.HB2|HB1 173 66 8.4192 1.2506 119.2140 +7.71e+07 A229.N,HN; A229.HB# 175 66 8.4191 1.4919 119.2057 +2.08e+07 A229.N,HN; L228.HB2|HB1 180 66 8.4194 3.7305 119.1994 +3.22e+07 A229.N,HN; A229.HA 174 66 8.4176 0.8301 119.1825 +2.63e+07 A229.N,HN; L228.HD2# 176 66 8.4194 1.8038 119.1799 +1.95e+07 A229.N,HN; L228.HB1|HB2 181 66 8.4149 3.9421 119.1653 +1.39e+07 A229.N,HN; L228.HA 314 66 8.6388 1.1887 119.1636 +9.96e+06 L248.N,HN; A215.HB# 178 66 8.4141 3.0528 119.1331 +8.01e+06 A229.N,HN; N230.HB1|HB2 316 66 8.6374 1.8603 119.1160 +1.82e+07 L248.N,HN; L248.HB1|HB2 708 66 8.6390 1.5372 119.1074 +3.60e+07 L248.N,HN; L248.HB2|HB1 315 66 8.6395 0.8397 119.1066 +4.54e+07 L248.N,HN; L248.HD2# 318 66 8.6425 4.8731 119.0862 +1.03e+07 L248.N,HN; A215.HA 317 66 8.6415 4.2453 119.0768 +2.53e+07 L248.N,HN; L248.HA 118 67 8.1541 4.4661 118.9957 +1.32e+07 R223.N,HN; N220.HA 344 67 8.6837 2.4150 118.9900 +1.81e+07 Q252.N,HN; Q252.HG2|HG1 346 67 8.6800 3.7322 118.9883 +1.14e+07 Q252.N,HN; P251.HD1|HD2 97 67 7.7940 2.7573 118.9845 +8.43e+06 S221.N,HN; N220.HB2|HB1 113 67 8.1557 1.6392 118.9843 +1.70e+07 R223.N,HN; R223.HG1|HG2 117 67 8.1549 4.0238 118.9757 +3.90e+07 R223.N,HN; R223.HA 343 67 8.6813 2.5170 118.9706 +1.57e+07 Q252.N,HN; Q252.HG1|HG2 115 67 8.1591 3.2573 118.9704 +1.16e+07 R223.N,HN; R223.HD1|HD2 345 67 8.6802 2.1180 118.9697 +6.63e+07 Q252.N,HN; Q252.HB1|HB2 114 67 8.1559 1.9197 118.9676 +7.76e+07 R223.N,HN; R223.HB1|HB2 111 67 8.1541 0.9027 118.9646 +5.22e+07 R223.N,HN; V222.HG2#|HG1# 349 67 8.6836 4.4146 118.9643 +9.61e+06 Q252.N,HN; P251.HA 348 67 8.6784 4.2139 118.9635 +3.35e+07 Q252.N,HN; Q252.HA 788 67 7.8514 0.2062 118.9628 +9.22e+06 L293.N,HN; L290.HD1# 347 67 8.6736 3.2885 118.9606 +9.31e+06 Q252.N,HN; P251.HD2|HD1 96 67 7.8084 2.8906 118.9512 +8.99e+06 S221.N,HN; N220.HB1|HB2 116 67 8.1577 3.5511 118.9392 +1.18e+07 R223.N,HN; V222.HA 112 67 8.1520 1.4283 118.9373 +1.19e+07 R223.N,HN; A224.HB# 786 67 7.8539 2.1674 118.9063 +9.99e+06 L293.N,HN; E295.HB1|HB2 789 67 7.8405 0.8945 118.8892 +2.25e+07 L293.N,HN; L292.HD1# 782 67 7.8452 4.1088 118.8712 +3.96e+07 L293.N,HN; L293.HA 585 68 7.8074 0.9007 118.8399 +1.89e+07 S221.N,HN; V222.HG2#|HG1# 274 68 7.8762 0.0823 118.6662 +2.29e+07 V239.N,HN; V239.HG1# 597 69 7.8877 3.9868 118.5113 +6.66e+07 I297.N,HN; I297.HA 593 69 7.8924 1.1350 118.4985 +3.02e+07 V239.N,HN; T207.HG2# 598 69 7.8907 4.2495 118.4916 +3.90e+07 I297.N,HN; E296.HA 596 69 7.8897 3.0198 118.4869 +5.41e+06 I297.N,HN; Y300.HB1|HB2 595 69 7.8912 1.9141 118.4849 +7.50e+07 I297.N,HN; I297.HB 594 69 7.8927 1.6153 118.4795 +4.74e+07 I297.N,HN; A294.HB# 590 69 7.8927 2.1698 118.4786 +4.92e+07 I297.N,HN; E296.HB1|HB2 586 69 7.8930 0.8925 118.4631 +4.14e+07 I297.N,HN; I297.HG2# 591 69 7.8938 2.3439 118.4531 +1.48e+07 I297.N,HN; E296.HG2 567 72 7.7438 0.8993 117.9261 +1.93e+07 E295.N,HN; I297.HG2# 568 72 7.7429 1.5843 117.9191 +6.70e+07 E295.N,HN; A294.HB# 571 72 7.7429 2.5080 117.9141 +4.89e+07 E295.N,HN; E295.HG1|HG2 569 72 7.7431 2.1598 117.9044 +1.15e+08 E295.N,HN; E295.HB1|HB2 573 72 7.7441 4.1489 117.9028 +7.44e+07 E295.N,HN; E295.HA 240 73 8.7752 1.7116 117.7929 +1.15e+07 E235.N,HN; K234.HD1|HD2 242 73 8.7722 3.9232 117.7674 +7.56e+06 E235.N,HN; I231.HA 236 73 8.7783 1.5428 117.7546 +1.91e+07 E235.N,HN; E235.HB2|HB1 133 73 7.8113 4.0457 117.7519 +1.49e+07 L225.N,HN; A224.HA 238 73 8.7747 1.9077 117.7356 +4.92e+07 E235.N,HN; E235.HB1|HB2 241 73 8.7743 4.2729 117.7290 +2.23e+07 E235.N,HN; E235.HA 239 73 8.7770 2.1947 117.7289 +2.04e+07 E235.N,HN; E235.HG1|HG2 130 73 7.8107 3.7598 117.7243 +2.52e+07 L225.N,HN; L225.HA 675 73 7.8127 1.4336 117.7239 +7.62e+07 L225.N,HN; L225.HB1|HB2 129 73 7.8095 1.8621 117.7196 +1.74e+07 L225.N,HN; K226.HB1|HB2 131 73 7.8125 3.5543 117.7173 +1.32e+07 L225.N,HN; V222.HA 674 73 7.8134 0.8477 117.7163 +4.24e+07 L225.N,HN; L225.HD1# 243 73 8.7722 4.3843 117.7048 +1.34e+07 E235.N,HN; K234.HA 132 73 7.8139 3.0198 117.6645 +6.97e+06 L225.N,HN; K226.HE2|HE1 398 74 7.6204 4.7338 117.5983 +2.22e+07 K258.N,HN; D257.HA 396 74 7.6199 3.7731 117.5794 +8.20e+07 K258.N,HN; K258.HA 523 74 7.6946 3.7117 117.5747 +3.08e+07 I288.N,HN; I288.HA 390 74 7.6191 1.3123 117.5719 +4.56e+07 K258.N,HN; K258.HG1|HG2 522 74 7.6892 3.4520 117.5683 +9.08e+06 I288.N,HN; V286.HA 521 74 7.6919 1.2399 117.5645 +2.30e+07 I288.N,HN; I288.HG12|HG11 766 74 7.6961 0.9356 117.5523 +7.33e+07 I288.N,HN; I288.HD1# 722 74 7.6973 1.8431 117.5522 +1.03e+08 I288.N,HN; I288.HG11|HG12 727 74 7.6198 1.7038 117.5222 +3.32e+07 K258.N,HN; K258.HB2|HB1 524 74 7.6996 4.0391 117.5091 +7.52e+07 I288.N,HN; K285.HA 370 74 7.7018 1.4129 117.5037 +6.56e+07 E255.N,HN; A254.HB# 374 74 7.7033 3.8330 117.5030 +1.97e+07 E255.N,HN; A254.HA 394 74 7.6154 2.6788 117.5002 +6.78e+06 K258.N,HN; D257.HB1|HB2 373 74 7.7009 2.2926 117.4993 +5.30e+07 E255.N,HN; E255.HG1|HG2 372 74 7.7024 2.0747 117.4848 +1.24e+08 E255.N,HN; E255.HB1|HB2 376 74 7.6997 4.1985 117.4818 +3.37e+07 E255.N,HN; L253.HA 501 75 7.6272 2.3205 117.2959 +2.44e+07 K285.N,HN; E284.HG1|HG2 503 75 7.6272 2.9974 117.2958 +8.01e+06 K285.N,HN; K285.HE1|HE2 505 75 7.6281 4.0227 117.2584 +4.06e+07 K285.N,HN; K285.HA 500 75 7.6294 2.0833 117.2347 +3.78e+07 K285.N,HN; E284.HB1|HB2 760 75 7.6284 1.5930 117.2166 +2.75e+07 K285.N,HN; K285.HG2|HG1 499 76 7.6286 1.4155 117.2017 +2.79e+07 K285.N,HN; K285.HG1|HG2 762 76 7.6283 1.8994 117.1729 +4.88e+07 K285.N,HN; K285.HB1|HB2 504 76 7.6430 3.6265 117.1559 +6.93e+06 K285.N,HN; R283.HA 16 76 7.7886 4.3298 117.0160 +8.47e+07 T207.N,HN; K206.HA 11 77 7.7896 1.1236 117.0051 +2.32e+07 T207.N,HN; T207.HG2# 12 77 7.7856 1.7618 116.9887 +1.94e+07 T207.N,HN; K206.HB1|HB2 15 77 7.7885 3.9581 116.9867 +2.64e+07 T207.N,HN; T207.HB 13 77 7.7859 1.6792 116.9737 +1.81e+07 T207.N,HN; K206.HB2|HB1 14 77 7.7868 1.4368 116.9467 +7.51e+06 T207.N,HN; K206.HG1|HG2 494 77 8.1404 2.6483 116.9338 +8.04e+06 E284.N,HN; N282.HB2|HB1 496 77 8.1513 3.6200 116.9142 +1.28e+07 E284.N,HN; R283.HA 491 77 8.1511 1.8176 116.8815 +2.91e+07 E284.N,HN; R283.HB2|HB1 497 77 8.1516 3.9869 116.8806 +4.99e+07 E284.N,HN; E284.HA 493 77 8.1503 2.3221 116.8763 +7.41e+07 E284.N,HN; E284.HG1|HG2 757 77 8.1512 2.1207 116.8721 +8.23e+07 E284.N,HN; E284.HB2|HB1 490 77 8.1502 1.5670 116.8581 +1.91e+07 E284.N,HN; R283.HG1|HG2 328 78 6.9492 4.3151 116.6468 +3.00e+07 K249.N,HN; K249.HA 713 78 6.9450 3.8434 116.6350 +9.73e+06 K249.N,HN; G216.HA1|HA2 320 79 6.9443 0.8329 116.5978 +1.67e+07 K249.N,HN; L248.HD1# 710 79 6.9444 1.4924 116.5870 +2.07e+07 K249.N,HN; L248.HB2|HB1 325 79 6.9392 1.9354 116.5747 +2.33e+07 K249.N,HN; K249.HB1|HB2 827 79 6.9349 3.0165 116.5332 +9.44e+06 K249.N,HN; D246.HB1|HB2 732 79 8.1990 4.7886 116.5316 +1.05e+07 T264.N,HN; T264.HA 139 79 8.3799 3.5477 116.5205 +9.72e+06 K226.N,HN; V222.HA 138 79 8.3763 3.7959 116.4996 +2.94e+07 K226.N,HN; K226.HA 677 79 8.3759 1.6716 116.4832 +4.87e+07 K226.N,HN; K226.HG2|HG1 136 79 8.3776 1.8492 116.4805 +4.01e+07 K226.N,HN; K226.HB1|HB2 134 79 8.3755 0.8679 116.4713 +2.20e+07 K226.N,HN; L225.HD2# 149 79 8.1964 5.3198 116.4646 +1.80e+07 T264.N,HN; P263.HA 140 79 8.3731 4.0261 116.4616 +1.92e+07 K226.N,HN; R223.HA 135 79 8.3763 1.4391 116.4369 +2.53e+07 K226.N,HN; A224.HB# 161 80 8.1943 0.8153 116.3789 +2.66e+07 T227.N,HN; L228.HD2# 162 80 8.1843 4.4969 116.3502 +1.30e+07 T264.N,HN; T262.HA 540 80 8.4484 3.4921 116.3138 +6.68e+06 L290.N,HN; V286.HA 145 80 8.1923 1.8673 116.3114 +2.66e+07 T227.N,HN; K226.HB1|HB2 768 80 8.4303 1.6570 116.3090 +2.66e+07 L290.N,HN; L290.HB1|HB2 389 80 7.4737 4.7403 116.3068 +2.64e+07 D257.N,HN; D257.HA 678 80 8.1957 1.1382 116.3043 +2.99e+07 T227.N,HN; T227.HG2# 152 80 8.1948 3.9515 116.3039 +3.13e+07 T227.N,HN; T227.HA 387 80 7.4698 3.7898 116.2993 +1.34e+07 D257.N,HN; K258.HA 144 80 8.1939 1.6705 116.2959 +1.62e+07 T227.N,HN; K226.HG2|HG1 386 80 7.4696 2.6553 116.2934 +1.31e+07 D257.N,HN; D257.HB1|HB2 384 80 7.4715 2.0698 116.2848 +3.61e+07 D257.N,HN; E256.HB1|HB2 532 80 8.4318 0.2190 116.2828 +1.68e+07 L290.N,HN; L290.HD1# 679 80 8.1989 1.4301 116.2825 +1.18e+07 T227.N,HN; A224.HB# 769 80 8.4393 4.0363 116.2813 +1.73e+07 L290.N,HN; L287.HA 538 80 8.4458 3.8631 116.2799 +1.25e+07 L290.N,HN; L290.HA 536 80 8.4341 1.4354 116.2724 +3.95e+07 L290.N,HN; A289.HB# 385 80 7.4697 2.3676 116.2720 +2.55e+07 D257.N,HN; D257.HB2|HB1 388 80 7.4703 4.0021 116.2698 +1.71e+07 D257.N,HN; E256.HA 534 80 8.4325 0.7602 116.2689 +1.99e+07 L290.N,HN; L293.HD1#|HD2# 535 80 8.4318 0.9218 116.2617 +1.73e+07 L290.N,HN; I231.HG2# 148 80 8.1932 4.3470 116.2502 +2.24e+07 T227.N,HN; T227.HB 151 80 8.1914 3.8031 116.2447 +1.42e+07 T227.N,HN; K226.HA 533 80 8.4329 0.3914 116.2326 +1.42e+07 L290.N,HN; L290.HD2# 252 80 7.3901 4.7907 116.2247 +1.91e+07 F236.N,HN; F236.HA 249 81 7.3839 3.6171 116.1647 +8.81e+06 F236.N,HN; F236.HB1|HB2 383 81 7.4728 1.6401 116.1638 +9.27e+06 D257.N,HN; I259.HB 246 81 7.3842 1.8924 116.1560 +2.09e+07 F236.N,HN; E235.HB1|HB2 245 81 7.3847 1.5415 116.1510 +1.08e+07 F236.N,HN; E235.HB2|HB1 248 81 7.3850 3.0551 116.1452 +1.22e+07 F236.N,HN; F236.HB2|HB1 695 81 7.3833 0.9834 116.1376 +7.83e+06 F236.N,HN; L287.HD1# 244 81 7.3835 0.7209 116.1312 +1.09e+07 F236.N,HN; L232.HD2# 247 81 7.3817 2.1682 116.1297 +1.01e+07 F236.N,HN; E235.HG1|HG2 250 81 7.3844 3.9149 116.1241 +9.34e+06 F236.N,HN; I231.HA 251 81 7.3851 4.2657 116.1210 +1.92e+07 F236.N,HN; E235.HA 232 82 7.6438 3.9226 115.9082 +1.26e+07 K234.N,HN; I231.HA 233 82 7.6495 4.2064 115.8794 +1.75e+07 K234.N,HN; E233.HA 227 82 7.6447 1.6746 115.8760 +2.10e+07 K234.N,HN; K234.HD1|HD2 228 82 7.6481 1.9116 115.8751 +8.20e+07 K234.N,HN; K234.HB1|HB2 234 82 7.6479 4.3981 115.8734 +3.87e+07 K234.N,HN; K234.HA 693 82 7.6486 1.4858 115.8717 +3.39e+07 K234.N,HN; K234.HG1|HG2 230 82 7.6471 2.1010 115.8654 +2.49e+07 K234.N,HN; E233.HB2|HB1 277 87 8.8179 0.0629 114.9560 +1.24e+07 Y240.N,HN; V239.HG1# 837 87 8.8360 3.9556 114.9331 +5.13e+06 Y240.N,HN; T207.HB 279 87 8.8111 1.8229 114.9284 +1.49e+07 Y240.N,HN; V239.HB 278 87 8.8180 0.7458 114.9121 +1.95e+07 Y240.N,HN; V239.HG2# 335 87 7.5757 1.7618 114.8794 +1.79e+07 N250.N,HN; L253.HG 829 87 7.5637 0.7497 114.8639 +1.02e+07 N250.N,HN; I245.HG2# 830 87 7.5590 0.8901 114.8636 +7.15e+06 N250.N,HN; L253.HD1# 838 87 8.8250 1.5593 114.8594 +5.39e+06 Y240.N,HN; A208.HB# 342 87 7.5731 5.2941 114.8590 +2.39e+07 N250.N,HN; N250.HA 334 87 7.5734 1.9537 114.8542 +1.77e+07 N250.N,HN; K249.HB1|HB2 336 87 7.5755 2.4758 114.8528 +2.58e+07 N250.N,HN; N250.HB2 337 87 7.5733 2.7302 114.8490 +1.68e+07 N250.N,HN; N250.HB1 340 87 7.5719 3.8512 114.8326 +2.16e+07 N250.N,HN; V247.HA 338 87 7.5816 3.0187 114.8297 +8.24e+06 N250.N,HN; D246.HB1|HB2 339 87 7.5752 3.2917 114.8286 +1.28e+07 N250.N,HN; P251.HD2|HD1 341 87 7.5823 4.3371 114.8221 +1.51e+07 N250.N,HN; K249.HA 802 90 8.9844 4.2181 114.2874 +5.71e+06 G216.N,HN; L248.HA 801 90 8.9612 1.8806 114.2711 +8.10e+06 G216.N,HN; L248.HB1|HB2 84 90 8.9756 4.8585 114.2673 +4.46e+07 G216.N,HN; A215.HA 78 90 8.9780 0.8410 114.2650 +3.90e+07 G216.N,HN; L248.HD2# 82 90 8.9751 3.8730 114.2640 +1.47e+07 G216.N,HN; G216.HA1|HA2 76 90 8.9774 0.6448 114.2618 +1.06e+07 G216.N,HN; V214.HG2#|HG1# 79 90 8.9760 1.1900 114.2585 +2.67e+07 G216.N,HN; A215.HB# 80 90 8.9786 1.5426 114.2487 +1.70e+07 G216.N,HN; L248.HB2|HB1 81 90 8.9783 3.9908 114.2386 +1.59e+07 G216.N,HN; S221.HB2|HB1 690 91 7.4545 1.7165 114.1264 +1.30e+07 E233.N,HN; L232.HB2|HB1 65 91 8.8940 2.2115 114.1160 +6.74e+06 V214.N,HN; V214.HB 64 91 8.8882 1.0437 114.0763 +1.24e+07 V214.N,HN; V247.HG2# 69 91 8.8898 5.2206 114.0719 +8.93e+06 V214.N,HN; D246.HA 219 91 7.4527 2.0950 114.0706 +2.79e+07 E233.N,HN; E233.HB2|HB1 62 91 8.8853 0.6475 114.0669 +3.80e+07 V214.N,HN; V214.HG2#|HG1# 63 91 8.8921 0.8342 114.0650 +2.40e+07 V214.N,HN; V214.HG1#|HG2# 68 91 8.8834 5.3673 114.0585 +3.52e+07 V214.N,HN; Y213.HA 221 91 7.4519 2.4216 114.0459 +1.97e+07 E233.N,HN; E233.HG1|HG2 222 91 7.4532 4.1980 114.0437 +3.53e+07 E233.N,HN; E233.HA 220 91 7.4538 2.2343 114.0342 +2.70e+07 E233.N,HN; E233.HB1|HB2 214 91 7.4528 0.7146 114.0330 +1.20e+07 E233.N,HN; L232.HD1# 215 91 7.4534 1.5218 114.0048 +7.81e+06 E233.N,HN; K237.HG2|HG1 688 91 7.4531 1.9274 114.0047 +1.57e+07 E233.N,HN; I231.HB 66 91 8.8900 4.7545 114.0017 +7.15e+06 V214.N,HN; V214.HA 689 91 7.4483 1.7630 113.9964 +1.30e+07 E233.N,HN; L232.HB1|HB2 267 93 9.2632 1.9155 113.6907 +1.05e+07 G238.N,HN; K237.HB1|HB2 191 93 7.4510 4.4972 113.6045 +2.60e+07 N230.N,HN; N230.HA 270 93 9.2604 3.9673 113.5839 +1.72e+07 G238.N,HN; V239.HA 691 93 7.4509 1.2484 113.5777 +4.18e+07 N230.N,HN; A229.HB# 268 93 9.2552 1.5270 113.5723 +1.01e+07 G238.N,HN; K237.HG2|HG1 698 93 9.2519 1.7410 113.5656 +8.90e+06 G238.N,HN; K237.HD1|HD2 189 93 7.4501 3.0432 113.5652 +5.60e+07 N230.N,HN; N230.HB1|HB2 269 93 9.2580 4.1979 113.5623 +4.54e+07 G238.N,HN; G238.HA2|HA1 190 94 7.4480 2.8873 113.5588 +4.51e+07 N230.N,HN; N230.HB2|HB1 273 94 7.4466 1.9341 113.5125 +1.10e+07 N230.N,HN; I231.HB 193 94 7.4535 3.8338 113.5101 +9.79e+06 N230.N,HN; K226.HA 192 94 7.4420 3.9474 113.4919 +1.51e+07 N230.N,HN; T227.HA 194 94 7.4434 3.7155 113.4820 +9.69e+06 N230.N,HN; A229.HA 266 94 9.2590 0.7496 113.4795 +9.87e+06 G238.N,HN; V239.HG2# 89 102 7.5034 4.1527 111.9139 +8.85e+06 T218.N,HN; S221.HA 87 102 7.4998 2.7949 111.8826 +9.69e+06 T218.N,HN; N217.HB1|HB2 669 102 7.5024 4.6028 111.8760 +2.33e+07 T218.N,HN; T218.HA 86 102 7.5001 0.9052 111.8690 +1.80e+07 T218.N,HN; V222.HG2#|HG1# 85 102 7.5038 1.4053 111.8632 +7.48e+07 T218.N,HN; T218.HG2# 90 102 7.5036 4.8522 111.8523 +3.93e+07 T218.N,HN; N217.HA 88 102 7.5068 3.9107 111.8364 +9.40e+06 T218.N,HN; P219.HD2|HD1 480 112 7.9845 4.3135 109.8676 +1.06e+07 S281.N,HN; S281.HA 482 112 7.9767 3.7637 109.8207 +8.92e+06 S281.N,HN; S281.HB2|HB1 481 112 7.9712 3.9615 109.8022 +9.55e+06 S281.N,HN; S281.HB1|HB2 424 117 8.0668 4.5605 108.7953 +3.78e+07 T262.N,HN; A261.HA 423 117 8.0669 1.2663 108.7943 +4.44e+07 T262.N,HN; A261.HB# 422 117 8.0694 0.8737 108.7551 +1.46e+07 T262.N,HN; T262.HG2# 606 117 7.9094 2.9963 108.6979 +5.61e+06 G298.N,HN; Y300.HB1|HB2 602 118 7.9136 1.9249 108.6656 +2.22e+07 G298.N,HN; I297.HB 605 118 7.9024 2.1806 108.6441 +8.81e+06 G298.N,HN; E296.HB1|HB2 607 118 7.9146 3.9466 108.6290 +1.20e+08 G298.N,HN; G298.HA1|HA2 601 118 7.9142 1.6250 108.6287 +8.92e+06 G298.N,HN; A294.HB# 600 118 7.9125 0.8961 108.6279 +2.02e+07 G298.N,HN; I297.HG2# ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN . 'not observed' 9615.385 Hz . . . 2828.00 . . 30093 8 2 . . N 15 N . folded 1583.899 Hz . . . 7278.86 . . 30093 8 3 . . H 1 H-aliphatic . 'not observed' 5590.535 Hz . . . 2828.00 . . 30093 8 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 3 $software_3 . . 30093 8 5 $software_5 . . 30093 8 stop_ save_