data_4857 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4857 _Entry.Title ; Solution structure and dynamic character of the histidine-containing phosphotransfer domain of anaerobic sensor kinase ArcB from Escherichia coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-10-15 _Entry.Accession_date 2000-10-16 _Entry.Last_release_date 2015-09-02 _Entry.Original_release_date 2015-09-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Takahisa Ikegami . . . . 4857 2 Terumasa Okada . . . . 4857 3 Izuru Ohki . . . . 4857 4 Junya Hirayama . . . . 4857 5 Takeshi Mizuno . . . . 4857 6 Masahiro Shirakawa . . . . 4857 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4857 coupling_constants 1 4857 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 513 4857 '15N chemical shifts' 134 4857 '1H chemical shifts' 875 4857 'coupling constants' 96 4857 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-09-02 . original BMRB . 4857 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4857 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure and dynamic character of the histidine-containing phosphotransfer domain of anaerobic sensor kinase ArcB from Escherichia coli ; _Citation.Status 'in press' _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Takahisa Ikegami . . . . 4857 1 2 Terumasa Okada . . . . 4857 1 3 Izuru Ohki . . . . 4857 1 4 Junya Hirayama . . . . 4857 1 5 Takeshi Mizuno . . . . 4857 1 6 Masahiro Shirakawa . . . . 4857 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ArcB 4857 1 HPt 4857 1 phosphotransfer 4857 1 'sensor kinase' 4857 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_HPt_domain_of_ArcB _Assembly.Sf_category assembly _Assembly.Sf_framecode HPt_domain_of_ArcB _Assembly.Entry_ID 4857 _Assembly.ID 1 _Assembly.Name HPt-ArcB _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 2.7.3.- _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4857 1 stop_ 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 HPt-ArcB 1 $HPt-ArcB . . . native . . . . . 4857 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'HPt domain of ArcB' abbreviation 4857 1 HPt-ArcB system 4857 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'histidine-containing phosphotransfer' 4857 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HPt-ArcB _Entity.Sf_category entity _Entity.Sf_framecode HPt-ArcB _Entity.Entry_ID 4857 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Histidine-containing phosphotransfer domain of E. coli anaerobic sensor kinase ArcB' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TTEENSKSEALLDIPMLEQY LELVGPKLITDGLAVFEKMM PGYVSVLESNLTAQDKKGIV EEGHKIKGAAGSVGLRHLQQ LGQQIQSPDLPAWEDNVGEW IEEMKEEWRHDVEVLKAWVA KATKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . no PDB 1A0B . 'Histidine-Containing Phosphotransfer Domain Of Arcb From Escherichia Coli' . . . . . 100.00 125 100.00 100.00 1.59e-65 . . . . 4857 1 . no PDB 1BDJ . 'Complex Structure Of Hpt Domain And Chey' . . . . . 100.00 125 100.00 100.00 1.59e-65 . . . . 4857 1 . no PDB 1FR0 . 'Solution Structure Of The Histidine-Containing Phosphotransfer Domain Of Anaerobic Sensor Kinase Arcb From Escherichia Coli.' . . . . . 100.00 125 100.00 100.00 1.59e-65 . . . . 4857 1 . no PDB 2A0B . 'Histidine-Containing Phosphotransfer Domain Of Arcb From Escherichia Coli' . . . . . 100.00 125 100.00 100.00 1.59e-65 . . . . 4857 1 . no DBJ BAB37512 . 'aerobic respiration sensor-response protein [Escherichia coli O157:H7 str. Sakai]' . . . . . 100.00 778 99.20 100.00 3.53e-67 . . . . 4857 1 . no DBJ BAE77254 . 'hybrid sensory histidine kinase in two-component regulatory system with ArcA [Escherichia coli W3110]' . . . . . 100.00 778 100.00 100.00 1.45e-67 . . . . 4857 1 . no EMBL CAA37397 . 'arcB [Escherichia coli W3110]' . . . . . 100.00 778 100.00 100.00 1.45e-67 . . . . 4857 1 . no GenBank AAA58012 . 'protein kinase [Escherichia coli]' . . . . . 100.00 776 100.00 100.00 1.45e-67 . . . . 4857 1 . no GenBank AAG58344 . ; aerobic respiration sensor-response protein; histidine protein kinase/phosphatase, sensor for arcA [Escherichia coli O157:H7 EDL933] ; . . . . . 100.00 778 99.20 100.00 3.53e-67 . . . . 4857 1 . no GenBank AAN44715 . ; histidine protein kinase/phosphatase, aerobic respiration sensor-response protein, sensor for arcA [Shigella flexneri 2a str. 301] ; . . . . . 100.00 778 100.00 100.00 1.45e-67 . . . . 4857 1 . no GenBank AAN82410 . 'Aerobic respiration control sensor protein arcB [Escherichia coli CFT073]' . . . . . 100.00 778 99.20 100.00 2.21e-67 . . . . 4857 1 . no GenBank AAP18529 . ; histidine protein kinase/phosphatase, aerobic respiration sensor-response protein, sensor for arcA [Shigella flexneri 2a str. 2457T] ; . . . . . 100.00 778 100.00 100.00 1.45e-67 . . . . 4857 1 . no REF AP_003753 . 'hybrid sensory histidine kinase in two-component regulatory system with ArcA [Escherichia coli W3110]' . . . . . 100.00 778 100.00 100.00 1.45e-67 . . . . 4857 1 . no REF NP_289784 . 'aerobic respiration control sensor protein ArcB [Escherichia coli O157:H7 EDL933]' . . . . . 100.00 778 99.20 100.00 3.53e-67 . . . . 4857 1 . no REF NP_312116 . 'aerobic respiration control sensor protein ArcB [Escherichia coli O157:H7 str. Sakai]' . . . . . 100.00 778 99.20 100.00 3.53e-67 . . . . 4857 1 . no REF NP_709008 . 'aerobic respiration control sensor protein ArcB [Shigella flexneri 2a str. 301]' . . . . . 100.00 778 100.00 100.00 1.45e-67 . . . . 4857 1 . no REF NP_755836 . 'aerobic respiration control sensor protein ArcB [Escherichia coli CFT073]' . . . . . 100.00 778 99.20 100.00 2.21e-67 . . . . 4857 1 . no SWISS-PROT P0AEC3 . 'Aerobic respiration control sensor protein arcB' . . . . . 100.00 778 100.00 100.00 1.45e-67 . . . . 4857 1 . no SWISS-PROT P0AEC4 . 'Aerobic respiration control sensor protein arcB' . . . . . 100.00 778 100.00 100.00 1.45e-67 . . . . 4857 1 . . SWISS-PROT P58363 . 'Aerobic respiration control sensor protein arcB' . . . . . 100.00 778 99.20 100.00 3.53e-67 . . . . 4857 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID HPt-ArcB abbreviation 4857 1 'Histidine-containing phosphotransfer domain of E. coli anaerobic sensor kinase ArcB' common 4857 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 654 THR . 4857 1 2 655 THR . 4857 1 3 656 GLU . 4857 1 4 657 GLU . 4857 1 5 658 ASN . 4857 1 6 659 SER . 4857 1 7 660 LYS . 4857 1 8 661 SER . 4857 1 9 662 GLU . 4857 1 10 663 ALA . 4857 1 11 664 LEU . 4857 1 12 665 LEU . 4857 1 13 666 ASP . 4857 1 14 667 ILE . 4857 1 15 668 PRO . 4857 1 16 669 MET . 4857 1 17 670 LEU . 4857 1 18 671 GLU . 4857 1 19 672 GLN . 4857 1 20 673 TYR . 4857 1 21 674 LEU . 4857 1 22 675 GLU . 4857 1 23 676 LEU . 4857 1 24 677 VAL . 4857 1 25 678 GLY . 4857 1 26 679 PRO . 4857 1 27 680 LYS . 4857 1 28 681 LEU . 4857 1 29 682 ILE . 4857 1 30 683 THR . 4857 1 31 684 ASP . 4857 1 32 685 GLY . 4857 1 33 686 LEU . 4857 1 34 687 ALA . 4857 1 35 688 VAL . 4857 1 36 689 PHE . 4857 1 37 690 GLU . 4857 1 38 691 LYS . 4857 1 39 692 MET . 4857 1 40 693 MET . 4857 1 41 694 PRO . 4857 1 42 695 GLY . 4857 1 43 696 TYR . 4857 1 44 697 VAL . 4857 1 45 698 SER . 4857 1 46 699 VAL . 4857 1 47 700 LEU . 4857 1 48 701 GLU . 4857 1 49 702 SER . 4857 1 50 703 ASN . 4857 1 51 704 LEU . 4857 1 52 705 THR . 4857 1 53 706 ALA . 4857 1 54 707 GLN . 4857 1 55 708 ASP . 4857 1 56 709 LYS . 4857 1 57 710 LYS . 4857 1 58 711 GLY . 4857 1 59 712 ILE . 4857 1 60 713 VAL . 4857 1 61 714 GLU . 4857 1 62 715 GLU . 4857 1 63 716 GLY . 4857 1 64 717 HIS . 4857 1 65 718 LYS . 4857 1 66 719 ILE . 4857 1 67 720 LYS . 4857 1 68 721 GLY . 4857 1 69 722 ALA . 4857 1 70 723 ALA . 4857 1 71 724 GLY . 4857 1 72 725 SER . 4857 1 73 726 VAL . 4857 1 74 727 GLY . 4857 1 75 728 LEU . 4857 1 76 729 ARG . 4857 1 77 730 HIS . 4857 1 78 731 LEU . 4857 1 79 732 GLN . 4857 1 80 733 GLN . 4857 1 81 734 LEU . 4857 1 82 735 GLY . 4857 1 83 736 GLN . 4857 1 84 737 GLN . 4857 1 85 738 ILE . 4857 1 86 739 GLN . 4857 1 87 740 SER . 4857 1 88 741 PRO . 4857 1 89 742 ASP . 4857 1 90 743 LEU . 4857 1 91 744 PRO . 4857 1 92 745 ALA . 4857 1 93 746 TRP . 4857 1 94 747 GLU . 4857 1 95 748 ASP . 4857 1 96 749 ASN . 4857 1 97 750 VAL . 4857 1 98 751 GLY . 4857 1 99 752 GLU . 4857 1 100 753 TRP . 4857 1 101 754 ILE . 4857 1 102 755 GLU . 4857 1 103 756 GLU . 4857 1 104 757 MET . 4857 1 105 758 LYS . 4857 1 106 759 GLU . 4857 1 107 760 GLU . 4857 1 108 761 TRP . 4857 1 109 762 ARG . 4857 1 110 763 HIS . 4857 1 111 764 ASP . 4857 1 112 765 VAL . 4857 1 113 766 GLU . 4857 1 114 767 VAL . 4857 1 115 768 LEU . 4857 1 116 769 LYS . 4857 1 117 770 ALA . 4857 1 118 771 TRP . 4857 1 119 772 VAL . 4857 1 120 773 ALA . 4857 1 121 774 LYS . 4857 1 122 775 ALA . 4857 1 123 776 THR . 4857 1 124 777 LYS . 4857 1 125 778 LYS . 4857 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 . THR 1 1 4857 1 . THR 2 2 4857 1 . GLU 3 3 4857 1 . GLU 4 4 4857 1 . ASN 5 5 4857 1 . SER 6 6 4857 1 . LYS 7 7 4857 1 . SER 8 8 4857 1 . GLU 9 9 4857 1 . ALA 10 10 4857 1 . LEU 11 11 4857 1 . LEU 12 12 4857 1 . ASP 13 13 4857 1 . ILE 14 14 4857 1 . PRO 15 15 4857 1 . MET 16 16 4857 1 . LEU 17 17 4857 1 . GLU 18 18 4857 1 . GLN 19 19 4857 1 . TYR 20 20 4857 1 . LEU 21 21 4857 1 . GLU 22 22 4857 1 . LEU 23 23 4857 1 . VAL 24 24 4857 1 . GLY 25 25 4857 1 . PRO 26 26 4857 1 . LYS 27 27 4857 1 . LEU 28 28 4857 1 . ILE 29 29 4857 1 . THR 30 30 4857 1 . ASP 31 31 4857 1 . GLY 32 32 4857 1 . LEU 33 33 4857 1 . ALA 34 34 4857 1 . VAL 35 35 4857 1 . PHE 36 36 4857 1 . GLU 37 37 4857 1 . LYS 38 38 4857 1 . MET 39 39 4857 1 . MET 40 40 4857 1 . PRO 41 41 4857 1 . GLY 42 42 4857 1 . TYR 43 43 4857 1 . VAL 44 44 4857 1 . SER 45 45 4857 1 . VAL 46 46 4857 1 . LEU 47 47 4857 1 . GLU 48 48 4857 1 . SER 49 49 4857 1 . ASN 50 50 4857 1 . LEU 51 51 4857 1 . THR 52 52 4857 1 . ALA 53 53 4857 1 . GLN 54 54 4857 1 . ASP 55 55 4857 1 . LYS 56 56 4857 1 . LYS 57 57 4857 1 . GLY 58 58 4857 1 . ILE 59 59 4857 1 . VAL 60 60 4857 1 . GLU 61 61 4857 1 . GLU 62 62 4857 1 . GLY 63 63 4857 1 . HIS 64 64 4857 1 . LYS 65 65 4857 1 . ILE 66 66 4857 1 . LYS 67 67 4857 1 . GLY 68 68 4857 1 . ALA 69 69 4857 1 . ALA 70 70 4857 1 . GLY 71 71 4857 1 . SER 72 72 4857 1 . VAL 73 73 4857 1 . GLY 74 74 4857 1 . LEU 75 75 4857 1 . ARG 76 76 4857 1 . HIS 77 77 4857 1 . LEU 78 78 4857 1 . GLN 79 79 4857 1 . GLN 80 80 4857 1 . LEU 81 81 4857 1 . GLY 82 82 4857 1 . GLN 83 83 4857 1 . GLN 84 84 4857 1 . ILE 85 85 4857 1 . GLN 86 86 4857 1 . SER 87 87 4857 1 . PRO 88 88 4857 1 . ASP 89 89 4857 1 . LEU 90 90 4857 1 . PRO 91 91 4857 1 . ALA 92 92 4857 1 . TRP 93 93 4857 1 . GLU 94 94 4857 1 . ASP 95 95 4857 1 . ASN 96 96 4857 1 . VAL 97 97 4857 1 . GLY 98 98 4857 1 . GLU 99 99 4857 1 . TRP 100 100 4857 1 . ILE 101 101 4857 1 . GLU 102 102 4857 1 . GLU 103 103 4857 1 . MET 104 104 4857 1 . LYS 105 105 4857 1 . GLU 106 106 4857 1 . GLU 107 107 4857 1 . TRP 108 108 4857 1 . ARG 109 109 4857 1 . HIS 110 110 4857 1 . ASP 111 111 4857 1 . VAL 112 112 4857 1 . GLU 113 113 4857 1 . VAL 114 114 4857 1 . LEU 115 115 4857 1 . LYS 116 116 4857 1 . ALA 117 117 4857 1 . TRP 118 118 4857 1 . VAL 119 119 4857 1 . ALA 120 120 4857 1 . LYS 121 121 4857 1 . ALA 122 122 4857 1 . THR 123 123 4857 1 . LYS 124 124 4857 1 . LYS 125 125 4857 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4857 _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 $HPt-ArcB . 562 . . 'Escherichia coli' bacteria . . Eubacteria . Escherichia coli . . . . . . . . . . . . . 4857 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 4857 _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 $HPt-ArcB . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli K12 . . plasmid . . pSU2DH . . . 4857 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4857 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Histidine-containing phosphotransfer domain of E. coli anaerobic sensor kinase ArcB' '[U-99% 13C; U-99% 15N]' . . 1 $HPt-ArcB . . 1.5 1.3 1.7 mM . . . . 4857 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4857 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 0.02 M 4857 1 pH 6.5 0.2 n/a 4857 1 temperature 310 1 K 4857 1 stop_ save_ ############################ # Computer software used # ############################ save_Pipp _Software.Sf_category software _Software.Sf_framecode Pipp _Software.Entry_ID 4857 _Software.ID 1 _Software.Name Pipp _Software.Version 4.2.4 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 4857 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 4857 _Software.ID 2 _Software.Name NMRPipe _Software.Version 1.7 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 4857 2 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 4857 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4857 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4857 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DMX . 500 . . . 4857 1 2 NMR_spectrometer_2 Bruker DRX . 500 . . . 4857 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 4857 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4857 1 2 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4857 1 3 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4857 1 4 CBCANH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4857 1 5 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4857 1 6 HN(CA)HA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4857 1 7 HBHA(CBCACO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4857 1 8 HBHA(CBCA)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4857 1 9 '2D TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4857 1 10 H(CCO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4857 1 11 (H)C(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4857 1 12 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4857 1 13 '15N-edited TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4857 1 14 (HB)CB(CGCD)HD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4857 1 15 (HB)CB(CGCDCE)HE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4857 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4857 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.25144953 external cylindrical parallel_to_Bo . . 4857 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct . external cylindrical parallel_to_Bo . . 4857 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.10132912 external cylindrical parallel_to_Bo . . 4857 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4857 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 9 '2D TOCSY' 1 $sample_1 . 4857 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 GLU H H 1 8.67 0.03 . 1 . . . . . . . . 4857 1 2 . 1 1 3 3 GLU HA H 1 4.37 0.03 . 1 . . . . . . . . 4857 1 3 . 1 1 3 3 GLU HB2 H 1 2.12 0.03 . 2 . . . . . . . . 4857 1 4 . 1 1 3 3 GLU HB3 H 1 1.98 0.03 . 2 . . . . . . . . 4857 1 5 . 1 1 3 3 GLU HG2 H 1 2.31 0.03 . 1 . . . . . . . . 4857 1 6 . 1 1 3 3 GLU HG3 H 1 2.31 0.03 . 1 . . . . . . . . 4857 1 7 . 1 1 3 3 GLU CA C 13 56.55 0.50 . 1 . . . . . . . . 4857 1 8 . 1 1 3 3 GLU CB C 13 29.33 0.50 . 1 . . . . . . . . 4857 1 9 . 1 1 3 3 GLU C C 13 175.48 0.50 . 1 . . . . . . . . 4857 1 10 . 1 1 3 3 GLU CG C 13 35.69 0.50 . 1 . . . . . . . . 4857 1 11 . 1 1 3 3 GLU N N 15 123.84 0.25 . 1 . . . . . . . . 4857 1 12 . 1 1 4 4 GLU H H 1 8.40 0.03 . 1 . . . . . . . . 4857 1 13 . 1 1 4 4 GLU HA H 1 4.37 0.03 . 1 . . . . . . . . 4857 1 14 . 1 1 4 4 GLU HB2 H 1 2.09 0.03 . 2 . . . . . . . . 4857 1 15 . 1 1 4 4 GLU HB3 H 1 1.99 0.03 . 2 . . . . . . . . 4857 1 16 . 1 1 4 4 GLU HG2 H 1 2.32 0.03 . 1 . . . . . . . . 4857 1 17 . 1 1 4 4 GLU HG3 H 1 2.32 0.03 . 1 . . . . . . . . 4857 1 18 . 1 1 4 4 GLU CA C 13 55.94 0.50 . 1 . . . . . . . . 4857 1 19 . 1 1 4 4 GLU CB C 13 29.81 0.50 . 1 . . . . . . . . 4857 1 20 . 1 1 4 4 GLU C C 13 174.62 0.50 . 1 . . . . . . . . 4857 1 21 . 1 1 4 4 GLU CG C 13 35.66 0.50 . 1 . . . . . . . . 4857 1 22 . 1 1 4 4 GLU N N 15 122.35 0.25 . 1 . . . . . . . . 4857 1 23 . 1 1 5 5 ASN H H 1 8.22 0.03 . 1 . . . . . . . . 4857 1 24 . 1 1 5 5 ASN HA H 1 4.59 0.03 . 1 . . . . . . . . 4857 1 25 . 1 1 5 5 ASN HB2 H 1 2.86 0.03 . 2 . . . . . . . . 4857 1 26 . 1 1 5 5 ASN HB3 H 1 2.77 0.03 . 2 . . . . . . . . 4857 1 27 . 1 1 5 5 ASN HD21 H 1 6.93 0.03 . 2 . . . . . . . . 4857 1 28 . 1 1 5 5 ASN HD22 H 1 7.64 0.03 . 2 . . . . . . . . 4857 1 29 . 1 1 5 5 ASN CA C 13 54.49 0.50 . 1 . . . . . . . . 4857 1 30 . 1 1 5 5 ASN CB C 13 40.51 0.50 . 1 . . . . . . . . 4857 1 31 . 1 1 5 5 ASN C C 13 178.64 0.50 . 1 . . . . . . . . 4857 1 32 . 1 1 5 5 ASN N N 15 125.60 0.25 . 1 . . . . . . . . 4857 1 33 . 1 1 5 5 ASN ND2 N 15 113.04 0.25 . 1 . . . . . . . . 4857 1 34 . 1 1 6 6 SER HA H 1 4.43 0.03 . 1 . . . . . . . . 4857 1 35 . 1 1 6 6 SER HB2 H 1 3.97 0.03 . 1 . . . . . . . . 4857 1 36 . 1 1 6 6 SER HB3 H 1 3.97 0.03 . 1 . . . . . . . . 4857 1 37 . 1 1 6 6 SER CA C 13 58.82 0.50 . 1 . . . . . . . . 4857 1 38 . 1 1 6 6 SER CB C 13 62.83 0.50 . 1 . . . . . . . . 4857 1 39 . 1 1 6 6 SER C C 13 174.88 0.50 . 1 . . . . . . . . 4857 1 40 . 1 1 7 7 LYS H H 1 8.31 0.03 . 1 . . . . . . . . 4857 1 41 . 1 1 7 7 LYS HA H 1 4.37 0.03 . 1 . . . . . . . . 4857 1 42 . 1 1 7 7 LYS HB2 H 1 1.93 0.03 . 1 . . . . . . . . 4857 1 43 . 1 1 7 7 LYS HB3 H 1 1.93 0.03 . 1 . . . . . . . . 4857 1 44 . 1 1 7 7 LYS HG2 H 1 1.54 0.03 . 1 . . . . . . . . 4857 1 45 . 1 1 7 7 LYS HG3 H 1 1.54 0.03 . 1 . . . . . . . . 4857 1 46 . 1 1 7 7 LYS HD2 H 1 1.72 0.03 . 1 . . . . . . . . 4857 1 47 . 1 1 7 7 LYS HD3 H 1 1.72 0.03 . 1 . . . . . . . . 4857 1 48 . 1 1 7 7 LYS HE2 H 1 3.02 0.03 . 1 . . . . . . . . 4857 1 49 . 1 1 7 7 LYS HE3 H 1 3.02 0.03 . 1 . . . . . . . . 4857 1 50 . 1 1 7 7 LYS CA C 13 56.79 0.50 . 1 . . . . . . . . 4857 1 51 . 1 1 7 7 LYS CB C 13 31.70 0.50 . 1 . . . . . . . . 4857 1 52 . 1 1 7 7 LYS C C 13 177.20 0.50 . 1 . . . . . . . . 4857 1 53 . 1 1 7 7 LYS CG C 13 24.31 0.50 . 1 . . . . . . . . 4857 1 54 . 1 1 7 7 LYS CD C 13 28.87 0.50 . 1 . . . . . . . . 4857 1 55 . 1 1 7 7 LYS CE C 13 41.42 0.50 . 1 . . . . . . . . 4857 1 56 . 1 1 7 7 LYS N N 15 122.89 0.25 . 1 . . . . . . . . 4857 1 57 . 1 1 8 8 SER H H 1 8.26 0.03 . 1 . . . . . . . . 4857 1 58 . 1 1 8 8 SER HA H 1 4.12 0.03 . 1 . . . . . . . . 4857 1 59 . 1 1 8 8 SER HB2 H 1 3.93 0.03 . 1 . . . . . . . . 4857 1 60 . 1 1 8 8 SER HB3 H 1 3.93 0.03 . 1 . . . . . . . . 4857 1 61 . 1 1 8 8 SER CA C 13 60.64 0.50 . 1 . . . . . . . . 4857 1 62 . 1 1 8 8 SER CB C 13 62.60 0.50 . 1 . . . . . . . . 4857 1 63 . 1 1 8 8 SER C C 13 174.35 0.50 . 1 . . . . . . . . 4857 1 64 . 1 1 8 8 SER N N 15 116.33 0.25 . 1 . . . . . . . . 4857 1 65 . 1 1 9 9 GLU H H 1 8.32 0.03 . 1 . . . . . . . . 4857 1 66 . 1 1 9 9 GLU HA H 1 4.04 0.03 . 1 . . . . . . . . 4857 1 67 . 1 1 9 9 GLU HB2 H 1 2.07 0.03 . 1 . . . . . . . . 4857 1 68 . 1 1 9 9 GLU HB3 H 1 2.07 0.03 . 1 . . . . . . . . 4857 1 69 . 1 1 9 9 GLU HG2 H 1 2.37 0.03 . 1 . . . . . . . . 4857 1 70 . 1 1 9 9 GLU HG3 H 1 2.37 0.03 . 1 . . . . . . . . 4857 1 71 . 1 1 9 9 GLU CA C 13 57.88 0.50 . 1 . . . . . . . . 4857 1 72 . 1 1 9 9 GLU CB C 13 28.62 0.50 . 1 . . . . . . . . 4857 1 73 . 1 1 9 9 GLU C C 13 176.24 0.50 . 1 . . . . . . . . 4857 1 74 . 1 1 9 9 GLU CG C 13 36.18 0.50 . 1 . . . . . . . . 4857 1 75 . 1 1 9 9 GLU N N 15 119.98 0.25 . 1 . . . . . . . . 4857 1 76 . 1 1 10 10 ALA H H 1 7.67 0.03 . 1 . . . . . . . . 4857 1 77 . 1 1 10 10 ALA HA H 1 4.35 0.03 . 1 . . . . . . . . 4857 1 78 . 1 1 10 10 ALA HB1 H 1 1.49 0.03 . 1 . . . . . . . . 4857 1 79 . 1 1 10 10 ALA HB2 H 1 1.49 0.03 . 1 . . . . . . . . 4857 1 80 . 1 1 10 10 ALA HB3 H 1 1.49 0.03 . 1 . . . . . . . . 4857 1 81 . 1 1 10 10 ALA CA C 13 52.62 0.50 . 1 . . . . . . . . 4857 1 82 . 1 1 10 10 ALA CB C 13 18.29 0.50 . 1 . . . . . . . . 4857 1 83 . 1 1 10 10 ALA C C 13 178.00 0.50 . 1 . . . . . . . . 4857 1 84 . 1 1 10 10 ALA N N 15 120.22 0.25 . 1 . . . . . . . . 4857 1 85 . 1 1 11 11 LEU H H 1 7.76 0.03 . 1 . . . . . . . . 4857 1 86 . 1 1 11 11 LEU HA H 1 4.31 0.03 . 1 . . . . . . . . 4857 1 87 . 1 1 11 11 LEU HB2 H 1 1.80 0.03 . 2 . . . . . . . . 4857 1 88 . 1 1 11 11 LEU HB3 H 1 1.50 0.03 . 2 . . . . . . . . 4857 1 89 . 1 1 11 11 LEU HG H 1 1.89 0.03 . 1 . . . . . . . . 4857 1 90 . 1 1 11 11 LEU HD11 H 1 0.99 0.03 . 1 . . . . . . . . 4857 1 91 . 1 1 11 11 LEU HD12 H 1 0.99 0.03 . 1 . . . . . . . . 4857 1 92 . 1 1 11 11 LEU HD13 H 1 0.99 0.03 . 1 . . . . . . . . 4857 1 93 . 1 1 11 11 LEU HD21 H 1 0.75 0.03 . 1 . . . . . . . . 4857 1 94 . 1 1 11 11 LEU HD22 H 1 0.75 0.03 . 1 . . . . . . . . 4857 1 95 . 1 1 11 11 LEU HD23 H 1 0.75 0.03 . 1 . . . . . . . . 4857 1 96 . 1 1 11 11 LEU CA C 13 55.61 0.50 . 1 . . . . . . . . 4857 1 97 . 1 1 11 11 LEU CB C 13 42.76 0.50 . 1 . . . . . . . . 4857 1 98 . 1 1 11 11 LEU C C 13 176.42 0.50 . 1 . . . . . . . . 4857 1 99 . 1 1 11 11 LEU CG C 13 26.19 0.50 . 1 . . . . . . . . 4857 1 100 . 1 1 11 11 LEU CD1 C 13 24.98 0.50 . 1 . . . . . . . . 4857 1 101 . 1 1 11 11 LEU CD2 C 13 21.39 0.50 . 1 . . . . . . . . 4857 1 102 . 1 1 11 11 LEU N N 15 115.66 0.25 . 1 . . . . . . . . 4857 1 103 . 1 1 12 12 LEU H H 1 7.93 0.03 . 1 . . . . . . . . 4857 1 104 . 1 1 12 12 LEU HA H 1 5.20 0.03 . 1 . . . . . . . . 4857 1 105 . 1 1 12 12 LEU HB2 H 1 1.69 0.03 . 2 . . . . . . . . 4857 1 106 . 1 1 12 12 LEU HB3 H 1 0.95 0.03 . 2 . . . . . . . . 4857 1 107 . 1 1 12 12 LEU HG H 1 0.99 0.03 . 1 . . . . . . . . 4857 1 108 . 1 1 12 12 LEU HD11 H 1 0.57 0.03 . 1 . . . . . . . . 4857 1 109 . 1 1 12 12 LEU HD12 H 1 0.57 0.03 . 1 . . . . . . . . 4857 1 110 . 1 1 12 12 LEU HD13 H 1 0.57 0.03 . 1 . . . . . . . . 4857 1 111 . 1 1 12 12 LEU HD21 H 1 0.79 0.03 . 1 . . . . . . . . 4857 1 112 . 1 1 12 12 LEU HD22 H 1 0.79 0.03 . 1 . . . . . . . . 4857 1 113 . 1 1 12 12 LEU HD23 H 1 0.79 0.03 . 1 . . . . . . . . 4857 1 114 . 1 1 12 12 LEU CA C 13 51.82 0.50 . 1 . . . . . . . . 4857 1 115 . 1 1 12 12 LEU CB C 13 43.55 0.50 . 1 . . . . . . . . 4857 1 116 . 1 1 12 12 LEU C C 13 174.82 0.50 . 1 . . . . . . . . 4857 1 117 . 1 1 12 12 LEU CG C 13 26.04 0.50 . 1 . . . . . . . . 4857 1 118 . 1 1 12 12 LEU CD1 C 13 24.52 0.50 . 1 . . . . . . . . 4857 1 119 . 1 1 12 12 LEU CD2 C 13 22.70 0.50 . 1 . . . . . . . . 4857 1 120 . 1 1 12 12 LEU N N 15 117.97 0.25 . 1 . . . . . . . . 4857 1 121 . 1 1 13 13 ASP H H 1 8.60 0.03 . 1 . . . . . . . . 4857 1 122 . 1 1 13 13 ASP HA H 1 4.69 0.03 . 1 . . . . . . . . 4857 1 123 . 1 1 13 13 ASP HB2 H 1 2.99 0.03 . 2 . . . . . . . . 4857 1 124 . 1 1 13 13 ASP HB3 H 1 2.15 0.03 . 2 . . . . . . . . 4857 1 125 . 1 1 13 13 ASP CA C 13 50.40 0.50 . 1 . . . . . . . . 4857 1 126 . 1 1 13 13 ASP CB C 13 38.80 0.50 . 1 . . . . . . . . 4857 1 127 . 1 1 13 13 ASP C C 13 174.09 0.50 . 1 . . . . . . . . 4857 1 128 . 1 1 13 13 ASP N N 15 121.45 0.25 . 1 . . . . . . . . 4857 1 129 . 1 1 14 14 ILE H H 1 7.88 0.03 . 1 . . . . . . . . 4857 1 130 . 1 1 14 14 ILE HA H 1 3.46 0.03 . 1 . . . . . . . . 4857 1 131 . 1 1 14 14 ILE HB H 1 2.15 0.03 . 1 . . . . . . . . 4857 1 132 . 1 1 14 14 ILE HG21 H 1 0.97 0.03 . 1 . . . . . . . . 4857 1 133 . 1 1 14 14 ILE HG22 H 1 0.97 0.03 . 1 . . . . . . . . 4857 1 134 . 1 1 14 14 ILE HG23 H 1 0.97 0.03 . 1 . . . . . . . . 4857 1 135 . 1 1 14 14 ILE HD11 H 1 0.44 0.03 . 1 . . . . . . . . 4857 1 136 . 1 1 14 14 ILE HD12 H 1 0.44 0.03 . 1 . . . . . . . . 4857 1 137 . 1 1 14 14 ILE HD13 H 1 0.44 0.03 . 1 . . . . . . . . 4857 1 138 . 1 1 14 14 ILE CA C 13 64.42 0.50 . 1 . . . . . . . . 4857 1 139 . 1 1 14 14 ILE CB C 13 33.36 0.50 . 1 . . . . . . . . 4857 1 140 . 1 1 14 14 ILE C C 13 173.62 0.50 . 1 . . . . . . . . 4857 1 141 . 1 1 14 14 ILE CG2 C 13 16.78 0.50 . 1 . . . . . . . . 4857 1 142 . 1 1 14 14 ILE CD1 C 13 9.81 0.50 . 1 . . . . . . . . 4857 1 143 . 1 1 14 14 ILE N N 15 122.45 0.25 . 1 . . . . . . . . 4857 1 144 . 1 1 15 15 PRO HA H 1 4.36 0.03 . 1 . . . . . . . . 4857 1 145 . 1 1 15 15 PRO HB2 H 1 2.31 0.03 . 2 . . . . . . . . 4857 1 146 . 1 1 15 15 PRO HB3 H 1 1.82 0.03 . 2 . . . . . . . . 4857 1 147 . 1 1 15 15 PRO HG2 H 1 1.89 0.03 . 1 . . . . . . . . 4857 1 148 . 1 1 15 15 PRO HG3 H 1 1.89 0.03 . 1 . . . . . . . . 4857 1 149 . 1 1 15 15 PRO HD2 H 1 2.34 0.03 . 1 . . . . . . . . 4857 1 150 . 1 1 15 15 PRO HD3 H 1 2.34 0.03 . 1 . . . . . . . . 4857 1 151 . 1 1 15 15 PRO CA C 13 65.47 0.50 . 1 . . . . . . . . 4857 1 152 . 1 1 15 15 PRO CB C 13 30.23 0.50 . 1 . . . . . . . . 4857 1 153 . 1 1 15 15 PRO C C 13 179.30 0.50 . 1 . . . . . . . . 4857 1 154 . 1 1 15 15 PRO CG C 13 27.60 0.50 . 1 . . . . . . . . 4857 1 155 . 1 1 15 15 PRO CD C 13 48.79 0.50 . 1 . . . . . . . . 4857 1 156 . 1 1 16 16 MET H H 1 7.04 0.03 . 1 . . . . . . . . 4857 1 157 . 1 1 16 16 MET HA H 1 3.93 0.03 . 1 . . . . . . . . 4857 1 158 . 1 1 16 16 MET HB2 H 1 2.01 0.03 . 2 . . . . . . . . 4857 1 159 . 1 1 16 16 MET HB3 H 1 1.74 0.03 . 2 . . . . . . . . 4857 1 160 . 1 1 16 16 MET HG2 H 1 2.45 0.03 . 1 . . . . . . . . 4857 1 161 . 1 1 16 16 MET HG3 H 1 2.45 0.03 . 1 . . . . . . . . 4857 1 162 . 1 1 16 16 MET HE1 H 1 1.80 0.03 . 1 . . . . . . . . 4857 1 163 . 1 1 16 16 MET HE2 H 1 1.80 0.03 . 1 . . . . . . . . 4857 1 164 . 1 1 16 16 MET HE3 H 1 1.80 0.03 . 1 . . . . . . . . 4857 1 165 . 1 1 16 16 MET CA C 13 57.91 0.50 . 1 . . . . . . . . 4857 1 166 . 1 1 16 16 MET CB C 13 32.29 0.50 . 1 . . . . . . . . 4857 1 167 . 1 1 16 16 MET C C 13 177.42 0.50 . 1 . . . . . . . . 4857 1 168 . 1 1 16 16 MET CE C 13 16.84 0.50 . 1 . . . . . . . . 4857 1 169 . 1 1 16 16 MET N N 15 117.23 0.25 . 1 . . . . . . . . 4857 1 170 . 1 1 17 17 LEU H H 1 8.15 0.03 . 1 . . . . . . . . 4857 1 171 . 1 1 17 17 LEU HA H 1 3.86 0.03 . 1 . . . . . . . . 4857 1 172 . 1 1 17 17 LEU HB2 H 1 1.40 0.03 . 2 . . . . . . . . 4857 1 173 . 1 1 17 17 LEU HB3 H 1 1.14 0.03 . 2 . . . . . . . . 4857 1 174 . 1 1 17 17 LEU HG H 1 1.58 0.03 . 1 . . . . . . . . 4857 1 175 . 1 1 17 17 LEU HD11 H 1 0.30 0.03 . 1 . . . . . . . . 4857 1 176 . 1 1 17 17 LEU HD12 H 1 0.30 0.03 . 1 . . . . . . . . 4857 1 177 . 1 1 17 17 LEU HD13 H 1 0.30 0.03 . 1 . . . . . . . . 4857 1 178 . 1 1 17 17 LEU HD21 H 1 0.83 0.03 . 1 . . . . . . . . 4857 1 179 . 1 1 17 17 LEU HD22 H 1 0.83 0.03 . 1 . . . . . . . . 4857 1 180 . 1 1 17 17 LEU HD23 H 1 0.83 0.03 . 1 . . . . . . . . 4857 1 181 . 1 1 17 17 LEU CA C 13 57.52 0.50 . 1 . . . . . . . . 4857 1 182 . 1 1 17 17 LEU CB C 13 41.48 0.50 . 1 . . . . . . . . 4857 1 183 . 1 1 17 17 LEU C C 13 178.85 0.50 . 1 . . . . . . . . 4857 1 184 . 1 1 17 17 LEU CG C 13 26.00 0.50 . 1 . . . . . . . . 4857 1 185 . 1 1 17 17 LEU CD1 C 13 25.85 0.50 . 1 . . . . . . . . 4857 1 186 . 1 1 17 17 LEU CD2 C 13 21.68 0.50 . 1 . . . . . . . . 4857 1 187 . 1 1 17 17 LEU N N 15 121.44 0.25 . 1 . . . . . . . . 4857 1 188 . 1 1 18 18 GLU H H 1 9.23 0.03 . 1 . . . . . . . . 4857 1 189 . 1 1 18 18 GLU HA H 1 4.19 0.03 . 1 . . . . . . . . 4857 1 190 . 1 1 18 18 GLU HB2 H 1 2.25 0.03 . 2 . . . . . . . . 4857 1 191 . 1 1 18 18 GLU HB3 H 1 2.09 0.03 . 2 . . . . . . . . 4857 1 192 . 1 1 18 18 GLU HG2 H 1 2.86 0.03 . 2 . . . . . . . . 4857 1 193 . 1 1 18 18 GLU HG3 H 1 2.45 0.03 . 2 . . . . . . . . 4857 1 194 . 1 1 18 18 GLU CA C 13 59.64 0.50 . 1 . . . . . . . . 4857 1 195 . 1 1 18 18 GLU CB C 13 29.01 0.50 . 1 . . . . . . . . 4857 1 196 . 1 1 18 18 GLU C C 13 179.33 0.50 . 1 . . . . . . . . 4857 1 197 . 1 1 18 18 GLU CG C 13 37.22 0.50 . 1 . . . . . . . . 4857 1 198 . 1 1 18 18 GLU N N 15 118.17 0.25 . 1 . . . . . . . . 4857 1 199 . 1 1 19 19 GLN H H 1 7.62 0.03 . 1 . . . . . . . . 4857 1 200 . 1 1 19 19 GLN HA H 1 4.28 0.03 . 1 . . . . . . . . 4857 1 201 . 1 1 19 19 GLN HB2 H 1 2.27 0.03 . 1 . . . . . . . . 4857 1 202 . 1 1 19 19 GLN HB3 H 1 2.27 0.03 . 1 . . . . . . . . 4857 1 203 . 1 1 19 19 GLN HG2 H 1 2.55 0.03 . 2 . . . . . . . . 4857 1 204 . 1 1 19 19 GLN HG3 H 1 2.38 0.03 . 2 . . . . . . . . 4857 1 205 . 1 1 19 19 GLN HE21 H 1 6.76 0.03 . 2 . . . . . . . . 4857 1 206 . 1 1 19 19 GLN HE22 H 1 7.36 0.03 . 2 . . . . . . . . 4857 1 207 . 1 1 19 19 GLN CA C 13 58.30 0.50 . 1 . . . . . . . . 4857 1 208 . 1 1 19 19 GLN CB C 13 27.83 0.50 . 1 . . . . . . . . 4857 1 209 . 1 1 19 19 GLN C C 13 177.96 0.50 . 1 . . . . . . . . 4857 1 210 . 1 1 19 19 GLN CG C 13 33.76 0.50 . 1 . . . . . . . . 4857 1 211 . 1 1 19 19 GLN N N 15 119.53 0.25 . 1 . . . . . . . . 4857 1 212 . 1 1 19 19 GLN NE2 N 15 111.60 0.25 . 1 . . . . . . . . 4857 1 213 . 1 1 20 20 TYR H H 1 8.71 0.03 . 1 . . . . . . . . 4857 1 214 . 1 1 20 20 TYR HA H 1 4.51 0.03 . 1 . . . . . . . . 4857 1 215 . 1 1 20 20 TYR HB2 H 1 3.48 0.03 . 2 . . . . . . . . 4857 1 216 . 1 1 20 20 TYR HB3 H 1 3.04 0.03 . 2 . . . . . . . . 4857 1 217 . 1 1 20 20 TYR HD1 H 1 7.08 0.03 . 1 . . . . . . . . 4857 1 218 . 1 1 20 20 TYR HD2 H 1 7.08 0.03 . 1 . . . . . . . . 4857 1 219 . 1 1 20 20 TYR HE1 H 1 6.85 0.03 . 1 . . . . . . . . 4857 1 220 . 1 1 20 20 TYR HE2 H 1 6.85 0.03 . 1 . . . . . . . . 4857 1 221 . 1 1 20 20 TYR CA C 13 59.25 0.50 . 1 . . . . . . . . 4857 1 222 . 1 1 20 20 TYR CB C 13 37.14 0.50 . 1 . . . . . . . . 4857 1 223 . 1 1 20 20 TYR C C 13 178.08 0.50 . 1 . . . . . . . . 4857 1 224 . 1 1 20 20 TYR N N 15 120.94 0.25 . 1 . . . . . . . . 4857 1 225 . 1 1 21 21 LEU H H 1 8.85 0.03 . 1 . . . . . . . . 4857 1 226 . 1 1 21 21 LEU HA H 1 3.80 0.03 . 1 . . . . . . . . 4857 1 227 . 1 1 21 21 LEU HB2 H 1 2.06 0.03 . 2 . . . . . . . . 4857 1 228 . 1 1 21 21 LEU HB3 H 1 1.84 0.03 . 2 . . . . . . . . 4857 1 229 . 1 1 21 21 LEU HG H 1 1.93 0.03 . 1 . . . . . . . . 4857 1 230 . 1 1 21 21 LEU HD11 H 1 0.97 0.03 . 1 . . . . . . . . 4857 1 231 . 1 1 21 21 LEU HD12 H 1 0.97 0.03 . 1 . . . . . . . . 4857 1 232 . 1 1 21 21 LEU HD13 H 1 0.97 0.03 . 1 . . . . . . . . 4857 1 233 . 1 1 21 21 LEU HD21 H 1 0.90 0.03 . 1 . . . . . . . . 4857 1 234 . 1 1 21 21 LEU HD22 H 1 0.90 0.03 . 1 . . . . . . . . 4857 1 235 . 1 1 21 21 LEU HD23 H 1 0.90 0.03 . 1 . . . . . . . . 4857 1 236 . 1 1 21 21 LEU CA C 13 57.82 0.50 . 1 . . . . . . . . 4857 1 237 . 1 1 21 21 LEU CB C 13 41.09 0.50 . 1 . . . . . . . . 4857 1 238 . 1 1 21 21 LEU C C 13 178.05 0.50 . 1 . . . . . . . . 4857 1 239 . 1 1 21 21 LEU CG C 13 26.78 0.50 . 1 . . . . . . . . 4857 1 240 . 1 1 21 21 LEU CD1 C 13 24.67 0.50 . 1 . . . . . . . . 4857 1 241 . 1 1 21 21 LEU CD2 C 13 23.91 0.50 . 1 . . . . . . . . 4857 1 242 . 1 1 21 21 LEU N N 15 119.76 0.25 . 1 . . . . . . . . 4857 1 243 . 1 1 22 22 GLU H H 1 7.67 0.03 . 1 . . . . . . . . 4857 1 244 . 1 1 22 22 GLU HA H 1 4.11 0.03 . 1 . . . . . . . . 4857 1 245 . 1 1 22 22 GLU HB2 H 1 2.19 0.03 . 1 . . . . . . . . 4857 1 246 . 1 1 22 22 GLU HB3 H 1 2.19 0.03 . 1 . . . . . . . . 4857 1 247 . 1 1 22 22 GLU HG2 H 1 2.39 0.03 . 1 . . . . . . . . 4857 1 248 . 1 1 22 22 GLU HG3 H 1 2.39 0.03 . 1 . . . . . . . . 4857 1 249 . 1 1 22 22 GLU CA C 13 57.97 0.50 . 1 . . . . . . . . 4857 1 250 . 1 1 22 22 GLU CB C 13 29.36 0.50 . 1 . . . . . . . . 4857 1 251 . 1 1 22 22 GLU C C 13 177.12 0.50 . 1 . . . . . . . . 4857 1 252 . 1 1 22 22 GLU CG C 13 35.37 0.50 . 1 . . . . . . . . 4857 1 253 . 1 1 22 22 GLU N N 15 117.58 0.25 . 1 . . . . . . . . 4857 1 254 . 1 1 23 23 LEU H H 1 8.15 0.03 . 1 . . . . . . . . 4857 1 255 . 1 1 23 23 LEU HA H 1 4.37 0.03 . 1 . . . . . . . . 4857 1 256 . 1 1 23 23 LEU HB2 H 1 1.91 0.03 . 2 . . . . . . . . 4857 1 257 . 1 1 23 23 LEU HB3 H 1 1.70 0.03 . 2 . . . . . . . . 4857 1 258 . 1 1 23 23 LEU HG H 1 1.89 0.03 . 1 . . . . . . . . 4857 1 259 . 1 1 23 23 LEU HD11 H 1 0.97 0.03 . 1 . . . . . . . . 4857 1 260 . 1 1 23 23 LEU HD12 H 1 0.97 0.03 . 1 . . . . . . . . 4857 1 261 . 1 1 23 23 LEU HD13 H 1 0.97 0.03 . 1 . . . . . . . . 4857 1 262 . 1 1 23 23 LEU HD21 H 1 0.98 0.03 . 1 . . . . . . . . 4857 1 263 . 1 1 23 23 LEU HD22 H 1 0.98 0.03 . 1 . . . . . . . . 4857 1 264 . 1 1 23 23 LEU HD23 H 1 0.98 0.03 . 1 . . . . . . . . 4857 1 265 . 1 1 23 23 LEU CA C 13 56.79 0.50 . 1 . . . . . . . . 4857 1 266 . 1 1 23 23 LEU CB C 13 43.05 0.50 . 1 . . . . . . . . 4857 1 267 . 1 1 23 23 LEU C C 13 177.87 0.50 . 1 . . . . . . . . 4857 1 268 . 1 1 23 23 LEU CG C 13 26.35 0.50 . 1 . . . . . . . . 4857 1 269 . 1 1 23 23 LEU CD1 C 13 24.04 0.50 . 1 . . . . . . . . 4857 1 270 . 1 1 23 23 LEU CD2 C 13 22.79 0.50 . 1 . . . . . . . . 4857 1 271 . 1 1 23 23 LEU N N 15 118.15 0.25 . 1 . . . . . . . . 4857 1 272 . 1 1 24 24 VAL H H 1 8.26 0.03 . 1 . . . . . . . . 4857 1 273 . 1 1 24 24 VAL HA H 1 4.52 0.03 . 1 . . . . . . . . 4857 1 274 . 1 1 24 24 VAL HB H 1 2.27 0.03 . 1 . . . . . . . . 4857 1 275 . 1 1 24 24 VAL HG11 H 1 0.98 0.03 . 1 . . . . . . . . 4857 1 276 . 1 1 24 24 VAL HG12 H 1 0.98 0.03 . 1 . . . . . . . . 4857 1 277 . 1 1 24 24 VAL HG13 H 1 0.98 0.03 . 1 . . . . . . . . 4857 1 278 . 1 1 24 24 VAL HG21 H 1 0.94 0.03 . 1 . . . . . . . . 4857 1 279 . 1 1 24 24 VAL HG22 H 1 0.94 0.03 . 1 . . . . . . . . 4857 1 280 . 1 1 24 24 VAL HG23 H 1 0.94 0.03 . 1 . . . . . . . . 4857 1 281 . 1 1 24 24 VAL CA C 13 61.72 0.50 . 1 . . . . . . . . 4857 1 282 . 1 1 24 24 VAL CB C 13 33.61 0.50 . 1 . . . . . . . . 4857 1 283 . 1 1 24 24 VAL C C 13 175.82 0.50 . 1 . . . . . . . . 4857 1 284 . 1 1 24 24 VAL CG1 C 13 21.35 0.50 . 1 . . . . . . . . 4857 1 285 . 1 1 24 24 VAL CG2 C 13 19.29 0.50 . 1 . . . . . . . . 4857 1 286 . 1 1 24 24 VAL N N 15 112.88 0.25 . 1 . . . . . . . . 4857 1 287 . 1 1 25 25 GLY H H 1 8.09 0.03 . 1 . . . . . . . . 4857 1 288 . 1 1 25 25 GLY HA2 H 1 4.77 0.03 . 2 . . . . . . . . 4857 1 289 . 1 1 25 25 GLY HA3 H 1 4.20 0.03 . 2 . . . . . . . . 4857 1 290 . 1 1 25 25 GLY CA C 13 44.18 0.50 . 1 . . . . . . . . 4857 1 291 . 1 1 25 25 GLY C C 13 171.07 0.50 . 1 . . . . . . . . 4857 1 292 . 1 1 25 25 GLY N N 15 110.89 0.25 . 1 . . . . . . . . 4857 1 293 . 1 1 26 26 PRO HA H 1 4.20 0.03 . 1 . . . . . . . . 4857 1 294 . 1 1 26 26 PRO HB2 H 1 2.10 0.03 . 1 . . . . . . . . 4857 1 295 . 1 1 26 26 PRO HB3 H 1 2.10 0.03 . 1 . . . . . . . . 4857 1 296 . 1 1 26 26 PRO HG2 H 1 2.13 0.03 . 1 . . . . . . . . 4857 1 297 . 1 1 26 26 PRO HG3 H 1 2.13 0.03 . 1 . . . . . . . . 4857 1 298 . 1 1 26 26 PRO HD2 H 1 3.62 0.03 . 2 . . . . . . . . 4857 1 299 . 1 1 26 26 PRO HD3 H 1 4.00 0.03 . 2 . . . . . . . . 4857 1 300 . 1 1 26 26 PRO CA C 13 64.11 0.50 . 1 . . . . . . . . 4857 1 301 . 1 1 26 26 PRO CB C 13 31.30 0.50 . 1 . . . . . . . . 4857 1 302 . 1 1 26 26 PRO C C 13 177.31 0.50 . 1 . . . . . . . . 4857 1 303 . 1 1 26 26 PRO CG C 13 26.58 0.50 . 1 . . . . . . . . 4857 1 304 . 1 1 26 26 PRO CD C 13 48.82 0.50 . 1 . . . . . . . . 4857 1 305 . 1 1 27 27 LYS H H 1 8.23 0.03 . 1 . . . . . . . . 4857 1 306 . 1 1 27 27 LYS HA H 1 4.19 0.03 . 1 . . . . . . . . 4857 1 307 . 1 1 27 27 LYS HB2 H 1 1.84 0.03 . 1 . . . . . . . . 4857 1 308 . 1 1 27 27 LYS HB3 H 1 1.84 0.03 . 1 . . . . . . . . 4857 1 309 . 1 1 27 27 LYS HG2 H 1 1.45 0.03 . 1 . . . . . . . . 4857 1 310 . 1 1 27 27 LYS HG3 H 1 1.45 0.03 . 1 . . . . . . . . 4857 1 311 . 1 1 27 27 LYS HE2 H 1 3.09 0.03 . 1 . . . . . . . . 4857 1 312 . 1 1 27 27 LYS HE3 H 1 3.09 0.03 . 1 . . . . . . . . 4857 1 313 . 1 1 27 27 LYS CA C 13 58.64 0.50 . 1 . . . . . . . . 4857 1 314 . 1 1 27 27 LYS CB C 13 31.53 0.50 . 1 . . . . . . . . 4857 1 315 . 1 1 27 27 LYS C C 13 177.04 0.50 . 1 . . . . . . . . 4857 1 316 . 1 1 27 27 LYS CG C 13 24.31 0.50 . 1 . . . . . . . . 4857 1 317 . 1 1 27 27 LYS CD C 13 28.66 0.50 . 1 . . . . . . . . 4857 1 318 . 1 1 27 27 LYS CE C 13 41.57 0.50 . 1 . . . . . . . . 4857 1 319 . 1 1 27 27 LYS N N 15 120.66 0.25 . 1 . . . . . . . . 4857 1 320 . 1 1 28 28 LEU H H 1 7.54 0.03 . 1 . . . . . . . . 4857 1 321 . 1 1 28 28 LEU HA H 1 4.22 0.03 . 1 . . . . . . . . 4857 1 322 . 1 1 28 28 LEU HB2 H 1 1.62 0.03 . 1 . . . . . . . . 4857 1 323 . 1 1 28 28 LEU HB3 H 1 1.62 0.03 . 1 . . . . . . . . 4857 1 324 . 1 1 28 28 LEU HG H 1 1.64 0.03 . 1 . . . . . . . . 4857 1 325 . 1 1 28 28 LEU HD11 H 1 0.93 0.03 . 1 . . . . . . . . 4857 1 326 . 1 1 28 28 LEU HD12 H 1 0.93 0.03 . 1 . . . . . . . . 4857 1 327 . 1 1 28 28 LEU HD13 H 1 0.93 0.03 . 1 . . . . . . . . 4857 1 328 . 1 1 28 28 LEU HD21 H 1 0.73 0.03 . 1 . . . . . . . . 4857 1 329 . 1 1 28 28 LEU HD22 H 1 0.73 0.03 . 1 . . . . . . . . 4857 1 330 . 1 1 28 28 LEU HD23 H 1 0.73 0.03 . 1 . . . . . . . . 4857 1 331 . 1 1 28 28 LEU CA C 13 57.47 0.50 . 1 . . . . . . . . 4857 1 332 . 1 1 28 28 LEU CB C 13 41.22 0.50 . 1 . . . . . . . . 4857 1 333 . 1 1 28 28 LEU C C 13 179.76 0.50 . 1 . . . . . . . . 4857 1 334 . 1 1 28 28 LEU CG C 13 27.20 0.50 . 1 . . . . . . . . 4857 1 335 . 1 1 28 28 LEU CD1 C 13 23.64 0.50 . 1 . . . . . . . . 4857 1 336 . 1 1 28 28 LEU CD2 C 13 23.85 0.50 . 1 . . . . . . . . 4857 1 337 . 1 1 28 28 LEU N N 15 118.07 0.25 . 1 . . . . . . . . 4857 1 338 . 1 1 29 29 ILE H H 1 7.26 0.03 . 1 . . . . . . . . 4857 1 339 . 1 1 29 29 ILE HA H 1 3.89 0.03 . 1 . . . . . . . . 4857 1 340 . 1 1 29 29 ILE HB H 1 2.16 0.03 . 1 . . . . . . . . 4857 1 341 . 1 1 29 29 ILE HG12 H 1 1.72 0.03 . 1 . . . . . . . . 4857 1 342 . 1 1 29 29 ILE HG13 H 1 1.72 0.03 . 1 . . . . . . . . 4857 1 343 . 1 1 29 29 ILE HG21 H 1 1.03 0.03 . 1 . . . . . . . . 4857 1 344 . 1 1 29 29 ILE HG22 H 1 1.03 0.03 . 1 . . . . . . . . 4857 1 345 . 1 1 29 29 ILE HG23 H 1 1.03 0.03 . 1 . . . . . . . . 4857 1 346 . 1 1 29 29 ILE HD11 H 1 1.08 0.03 . 1 . . . . . . . . 4857 1 347 . 1 1 29 29 ILE HD12 H 1 1.08 0.03 . 1 . . . . . . . . 4857 1 348 . 1 1 29 29 ILE HD13 H 1 1.08 0.03 . 1 . . . . . . . . 4857 1 349 . 1 1 29 29 ILE CA C 13 63.45 0.50 . 1 . . . . . . . . 4857 1 350 . 1 1 29 29 ILE CB C 13 37.43 0.50 . 1 . . . . . . . . 4857 1 351 . 1 1 29 29 ILE C C 13 177.06 0.50 . 1 . . . . . . . . 4857 1 352 . 1 1 29 29 ILE CG1 C 13 27.99 0.50 . 1 . . . . . . . . 4857 1 353 . 1 1 29 29 ILE CG2 C 13 16.83 0.50 . 1 . . . . . . . . 4857 1 354 . 1 1 29 29 ILE CD1 C 13 12.96 0.50 . 1 . . . . . . . . 4857 1 355 . 1 1 29 29 ILE N N 15 117.97 0.25 . 1 . . . . . . . . 4857 1 356 . 1 1 30 30 THR H H 1 8.58 0.03 . 1 . . . . . . . . 4857 1 357 . 1 1 30 30 THR HA H 1 4.01 0.03 . 1 . . . . . . . . 4857 1 358 . 1 1 30 30 THR HB H 1 4.44 0.03 . 1 . . . . . . . . 4857 1 359 . 1 1 30 30 THR HG21 H 1 1.36 0.03 . 1 . . . . . . . . 4857 1 360 . 1 1 30 30 THR HG22 H 1 1.36 0.03 . 1 . . . . . . . . 4857 1 361 . 1 1 30 30 THR HG23 H 1 1.36 0.03 . 1 . . . . . . . . 4857 1 362 . 1 1 30 30 THR CA C 13 66.28 0.50 . 1 . . . . . . . . 4857 1 363 . 1 1 30 30 THR CB C 13 67.16 0.50 . 1 . . . . . . . . 4857 1 364 . 1 1 30 30 THR C C 13 177.51 0.50 . 1 . . . . . . . . 4857 1 365 . 1 1 30 30 THR CG2 C 13 21.74 0.50 . 1 . . . . . . . . 4857 1 366 . 1 1 30 30 THR N N 15 114.32 0.25 . 1 . . . . . . . . 4857 1 367 . 1 1 31 31 ASP H H 1 9.13 0.03 . 1 . . . . . . . . 4857 1 368 . 1 1 31 31 ASP HA H 1 4.62 0.03 . 1 . . . . . . . . 4857 1 369 . 1 1 31 31 ASP HB2 H 1 2.94 0.03 . 2 . . . . . . . . 4857 1 370 . 1 1 31 31 ASP HB3 H 1 2.69 0.03 . 2 . . . . . . . . 4857 1 371 . 1 1 31 31 ASP CA C 13 56.69 0.50 . 1 . . . . . . . . 4857 1 372 . 1 1 31 31 ASP CB C 13 38.98 0.50 . 1 . . . . . . . . 4857 1 373 . 1 1 31 31 ASP C C 13 178.87 0.50 . 1 . . . . . . . . 4857 1 374 . 1 1 31 31 ASP N N 15 125.15 0.25 . 1 . . . . . . . . 4857 1 375 . 1 1 32 32 GLY H H 1 7.89 0.03 . 1 . . . . . . . . 4857 1 376 . 1 1 32 32 GLY HA2 H 1 3.95 0.03 . 1 . . . . . . . . 4857 1 377 . 1 1 32 32 GLY HA3 H 1 3.95 0.03 . 1 . . . . . . . . 4857 1 378 . 1 1 32 32 GLY CA C 13 46.49 0.50 . 1 . . . . . . . . 4857 1 379 . 1 1 32 32 GLY C C 13 176.69 0.50 . 1 . . . . . . . . 4857 1 380 . 1 1 32 32 GLY N N 15 108.59 0.25 . 1 . . . . . . . . 4857 1 381 . 1 1 33 33 LEU H H 1 8.95 0.03 . 1 . . . . . . . . 4857 1 382 . 1 1 33 33 LEU HA H 1 4.32 0.03 . 1 . . . . . . . . 4857 1 383 . 1 1 33 33 LEU HB2 H 1 2.12 0.03 . 2 . . . . . . . . 4857 1 384 . 1 1 33 33 LEU HB3 H 1 1.76 0.03 . 2 . . . . . . . . 4857 1 385 . 1 1 33 33 LEU HG H 1 2.11 0.03 . 1 . . . . . . . . 4857 1 386 . 1 1 33 33 LEU HD11 H 1 1.22 0.03 . 1 . . . . . . . . 4857 1 387 . 1 1 33 33 LEU HD12 H 1 1.22 0.03 . 1 . . . . . . . . 4857 1 388 . 1 1 33 33 LEU HD13 H 1 1.22 0.03 . 1 . . . . . . . . 4857 1 389 . 1 1 33 33 LEU HD21 H 1 1.11 0.03 . 1 . . . . . . . . 4857 1 390 . 1 1 33 33 LEU HD22 H 1 1.11 0.03 . 1 . . . . . . . . 4857 1 391 . 1 1 33 33 LEU HD23 H 1 1.11 0.03 . 1 . . . . . . . . 4857 1 392 . 1 1 33 33 LEU CA C 13 56.78 0.50 . 1 . . . . . . . . 4857 1 393 . 1 1 33 33 LEU CB C 13 41.87 0.50 . 1 . . . . . . . . 4857 1 394 . 1 1 33 33 LEU C C 13 176.77 0.50 . 1 . . . . . . . . 4857 1 395 . 1 1 33 33 LEU CG C 13 25.80 0.50 . 1 . . . . . . . . 4857 1 396 . 1 1 33 33 LEU CD1 C 13 24.14 0.50 . 1 . . . . . . . . 4857 1 397 . 1 1 33 33 LEU CD2 C 13 25.22 0.50 . 1 . . . . . . . . 4857 1 398 . 1 1 33 33 LEU N N 15 125.26 0.25 . 1 . . . . . . . . 4857 1 399 . 1 1 34 34 ALA H H 1 7.98 0.03 . 1 . . . . . . . . 4857 1 400 . 1 1 34 34 ALA HA H 1 4.48 0.03 . 1 . . . . . . . . 4857 1 401 . 1 1 34 34 ALA HB1 H 1 1.68 0.03 . 1 . . . . . . . . 4857 1 402 . 1 1 34 34 ALA HB2 H 1 1.68 0.03 . 1 . . . . . . . . 4857 1 403 . 1 1 34 34 ALA HB3 H 1 1.68 0.03 . 1 . . . . . . . . 4857 1 404 . 1 1 34 34 ALA CA C 13 54.44 0.50 . 1 . . . . . . . . 4857 1 405 . 1 1 34 34 ALA CB C 13 17.14 0.50 . 1 . . . . . . . . 4857 1 406 . 1 1 34 34 ALA C C 13 180.52 0.50 . 1 . . . . . . . . 4857 1 407 . 1 1 34 34 ALA N N 15 122.25 0.25 . 1 . . . . . . . . 4857 1 408 . 1 1 35 35 VAL H H 1 7.41 0.03 . 1 . . . . . . . . 4857 1 409 . 1 1 35 35 VAL HA H 1 3.73 0.03 . 1 . . . . . . . . 4857 1 410 . 1 1 35 35 VAL HB H 1 2.29 0.03 . 1 . . . . . . . . 4857 1 411 . 1 1 35 35 VAL HG11 H 1 1.06 0.03 . 1 . . . . . . . . 4857 1 412 . 1 1 35 35 VAL HG12 H 1 1.06 0.03 . 1 . . . . . . . . 4857 1 413 . 1 1 35 35 VAL HG13 H 1 1.06 0.03 . 1 . . . . . . . . 4857 1 414 . 1 1 35 35 VAL HG21 H 1 1.18 0.03 . 1 . . . . . . . . 4857 1 415 . 1 1 35 35 VAL HG22 H 1 1.18 0.03 . 1 . . . . . . . . 4857 1 416 . 1 1 35 35 VAL HG23 H 1 1.18 0.03 . 1 . . . . . . . . 4857 1 417 . 1 1 35 35 VAL CA C 13 65.86 0.50 . 1 . . . . . . . . 4857 1 418 . 1 1 35 35 VAL CB C 13 31.32 0.50 . 1 . . . . . . . . 4857 1 419 . 1 1 35 35 VAL C C 13 177.01 0.50 . 1 . . . . . . . . 4857 1 420 . 1 1 35 35 VAL CG1 C 13 20.85 0.50 . 1 . . . . . . . . 4857 1 421 . 1 1 35 35 VAL CG2 C 13 21.81 0.50 . 1 . . . . . . . . 4857 1 422 . 1 1 35 35 VAL N N 15 118.34 0.25 . 1 . . . . . . . . 4857 1 423 . 1 1 36 36 PHE H H 1 8.10 0.03 . 1 . . . . . . . . 4857 1 424 . 1 1 36 36 PHE HA H 1 4.04 0.03 . 1 . . . . . . . . 4857 1 425 . 1 1 36 36 PHE HB2 H 1 3.47 0.03 . 2 . . . . . . . . 4857 1 426 . 1 1 36 36 PHE HB3 H 1 3.31 0.03 . 2 . . . . . . . . 4857 1 427 . 1 1 36 36 PHE HD1 H 1 7.12 0.03 . 1 . . . . . . . . 4857 1 428 . 1 1 36 36 PHE HD2 H 1 7.12 0.03 . 1 . . . . . . . . 4857 1 429 . 1 1 36 36 PHE HE1 H 1 7.50 0.03 . 1 . . . . . . . . 4857 1 430 . 1 1 36 36 PHE HE2 H 1 7.50 0.03 . 1 . . . . . . . . 4857 1 431 . 1 1 36 36 PHE CA C 13 62.15 0.50 . 1 . . . . . . . . 4857 1 432 . 1 1 36 36 PHE CB C 13 38.99 0.50 . 1 . . . . . . . . 4857 1 433 . 1 1 36 36 PHE C C 13 176.28 0.50 . 1 . . . . . . . . 4857 1 434 . 1 1 36 36 PHE N N 15 122.09 0.25 . 1 . . . . . . . . 4857 1 435 . 1 1 37 37 GLU H H 1 9.14 0.03 . 1 . . . . . . . . 4857 1 436 . 1 1 37 37 GLU HA H 1 4.01 0.03 . 1 . . . . . . . . 4857 1 437 . 1 1 37 37 GLU HB2 H 1 2.35 0.03 . 1 . . . . . . . . 4857 1 438 . 1 1 37 37 GLU HB3 H 1 2.35 0.03 . 1 . . . . . . . . 4857 1 439 . 1 1 37 37 GLU HG2 H 1 2.82 0.03 . 2 . . . . . . . . 4857 1 440 . 1 1 37 37 GLU HG3 H 1 2.56 0.03 . 2 . . . . . . . . 4857 1 441 . 1 1 37 37 GLU CA C 13 59.42 0.50 . 1 . . . . . . . . 4857 1 442 . 1 1 37 37 GLU CB C 13 30.10 0.50 . 1 . . . . . . . . 4857 1 443 . 1 1 37 37 GLU C C 13 176.82 0.50 . 1 . . . . . . . . 4857 1 444 . 1 1 37 37 GLU CG C 13 37.65 0.50 . 1 . . . . . . . . 4857 1 445 . 1 1 37 37 GLU N N 15 116.62 0.25 . 1 . . . . . . . . 4857 1 446 . 1 1 38 38 LYS H H 1 7.42 0.03 . 1 . . . . . . . . 4857 1 447 . 1 1 38 38 LYS HA H 1 4.20 0.03 . 1 . . . . . . . . 4857 1 448 . 1 1 38 38 LYS HB2 H 1 1.99 0.03 . 1 . . . . . . . . 4857 1 449 . 1 1 38 38 LYS HB3 H 1 1.99 0.03 . 1 . . . . . . . . 4857 1 450 . 1 1 38 38 LYS HG2 H 1 1.52 0.03 . 1 . . . . . . . . 4857 1 451 . 1 1 38 38 LYS HG3 H 1 1.52 0.03 . 1 . . . . . . . . 4857 1 452 . 1 1 38 38 LYS HD2 H 1 1.65 0.03 . 1 . . . . . . . . 4857 1 453 . 1 1 38 38 LYS HD3 H 1 1.65 0.03 . 1 . . . . . . . . 4857 1 454 . 1 1 38 38 LYS HE2 H 1 3.04 0.03 . 1 . . . . . . . . 4857 1 455 . 1 1 38 38 LYS HE3 H 1 3.04 0.03 . 1 . . . . . . . . 4857 1 456 . 1 1 38 38 LYS CA C 13 57.45 0.50 . 1 . . . . . . . . 4857 1 457 . 1 1 38 38 LYS CB C 13 32.21 0.50 . 1 . . . . . . . . 4857 1 458 . 1 1 38 38 LYS C C 13 177.87 0.50 . 1 . . . . . . . . 4857 1 459 . 1 1 38 38 LYS CG C 13 24.52 0.50 . 1 . . . . . . . . 4857 1 460 . 1 1 38 38 LYS CD C 13 29.06 0.50 . 1 . . . . . . . . 4857 1 461 . 1 1 38 38 LYS CE C 13 41.52 0.50 . 1 . . . . . . . . 4857 1 462 . 1 1 38 38 LYS N N 15 116.91 0.25 . 1 . . . . . . . . 4857 1 463 . 1 1 39 39 MET H H 1 7.74 0.03 . 1 . . . . . . . . 4857 1 464 . 1 1 39 39 MET HA H 1 4.14 0.03 . 1 . . . . . . . . 4857 1 465 . 1 1 39 39 MET HB2 H 1 1.29 0.03 . 2 . . . . . . . . 4857 1 466 . 1 1 39 39 MET HB3 H 1 1.55 0.03 . 2 . . . . . . . . 4857 1 467 . 1 1 39 39 MET HG2 H 1 2.58 0.03 . 1 . . . . . . . . 4857 1 468 . 1 1 39 39 MET HG3 H 1 2.58 0.03 . 1 . . . . . . . . 4857 1 469 . 1 1 39 39 MET HE1 H 1 2.03 0.03 . 1 . . . . . . . . 4857 1 470 . 1 1 39 39 MET HE2 H 1 2.03 0.03 . 1 . . . . . . . . 4857 1 471 . 1 1 39 39 MET HE3 H 1 2.03 0.03 . 1 . . . . . . . . 4857 1 472 . 1 1 39 39 MET CA C 13 54.93 0.50 . 1 . . . . . . . . 4857 1 473 . 1 1 39 39 MET CB C 13 32.22 0.50 . 1 . . . . . . . . 4857 1 474 . 1 1 39 39 MET C C 13 176.58 0.50 . 1 . . . . . . . . 4857 1 475 . 1 1 39 39 MET CE C 13 16.15 0.50 . 1 . . . . . . . . 4857 1 476 . 1 1 39 39 MET N N 15 117.25 0.25 . 1 . . . . . . . . 4857 1 477 . 1 1 40 40 MET H H 1 7.75 0.03 . 1 . . . . . . . . 4857 1 478 . 1 1 40 40 MET HE1 H 1 1.59 0.03 . 1 . . . . . . . . 4857 1 479 . 1 1 40 40 MET HE2 H 1 1.59 0.03 . 1 . . . . . . . . 4857 1 480 . 1 1 40 40 MET HE3 H 1 1.59 0.03 . 1 . . . . . . . . 4857 1 481 . 1 1 40 40 MET CA C 13 57.55 0.50 . 1 . . . . . . . . 4857 1 482 . 1 1 40 40 MET CB C 13 27.09 0.50 . 1 . . . . . . . . 4857 1 483 . 1 1 40 40 MET C C 13 178.57 0.50 . 1 . . . . . . . . 4857 1 484 . 1 1 40 40 MET CE C 13 16.61 0.50 . 1 . . . . . . . . 4857 1 485 . 1 1 40 40 MET N N 15 119.90 0.25 . 1 . . . . . . . . 4857 1 486 . 1 1 41 41 PRO HA H 1 4.16 0.03 . 1 . . . . . . . . 4857 1 487 . 1 1 41 41 PRO HB2 H 1 2.50 0.03 . 2 . . . . . . . . 4857 1 488 . 1 1 41 41 PRO HB3 H 1 1.87 0.03 . 2 . . . . . . . . 4857 1 489 . 1 1 41 41 PRO HG2 H 1 2.31 0.03 . 1 . . . . . . . . 4857 1 490 . 1 1 41 41 PRO HG3 H 1 2.31 0.03 . 1 . . . . . . . . 4857 1 491 . 1 1 41 41 PRO HD2 H 1 3.43 0.03 . 2 . . . . . . . . 4857 1 492 . 1 1 41 41 PRO HD3 H 1 3.24 0.03 . 2 . . . . . . . . 4857 1 493 . 1 1 41 41 PRO CA C 13 65.96 0.50 . 1 . . . . . . . . 4857 1 494 . 1 1 41 41 PRO CB C 13 29.90 0.50 . 1 . . . . . . . . 4857 1 495 . 1 1 41 41 PRO C C 13 179.27 0.50 . 1 . . . . . . . . 4857 1 496 . 1 1 41 41 PRO CG C 13 28.27 0.50 . 1 . . . . . . . . 4857 1 497 . 1 1 41 41 PRO CD C 13 49.69 0.50 . 1 . . . . . . . . 4857 1 498 . 1 1 42 42 GLY H H 1 7.57 0.03 . 1 . . . . . . . . 4857 1 499 . 1 1 42 42 GLY HA2 H 1 3.88 0.03 . 1 . . . . . . . . 4857 1 500 . 1 1 42 42 GLY HA3 H 1 3.88 0.03 . 1 . . . . . . . . 4857 1 501 . 1 1 42 42 GLY CA C 13 46.08 0.50 . 1 . . . . . . . . 4857 1 502 . 1 1 42 42 GLY C C 13 175.34 0.50 . 1 . . . . . . . . 4857 1 503 . 1 1 42 42 GLY N N 15 105.96 0.25 . 1 . . . . . . . . 4857 1 504 . 1 1 43 43 TYR H H 1 7.58 0.03 . 1 . . . . . . . . 4857 1 505 . 1 1 43 43 TYR HA H 1 4.98 0.03 . 1 . . . . . . . . 4857 1 506 . 1 1 43 43 TYR HB2 H 1 3.19 0.03 . 2 . . . . . . . . 4857 1 507 . 1 1 43 43 TYR HB3 H 1 3.02 0.03 . 2 . . . . . . . . 4857 1 508 . 1 1 43 43 TYR HD1 H 1 7.09 0.03 . 1 . . . . . . . . 4857 1 509 . 1 1 43 43 TYR HD2 H 1 7.09 0.03 . 1 . . . . . . . . 4857 1 510 . 1 1 43 43 TYR HE1 H 1 6.55 0.03 . 1 . . . . . . . . 4857 1 511 . 1 1 43 43 TYR HE2 H 1 6.55 0.03 . 1 . . . . . . . . 4857 1 512 . 1 1 43 43 TYR CA C 13 56.85 0.50 . 1 . . . . . . . . 4857 1 513 . 1 1 43 43 TYR CB C 13 36.19 0.50 . 1 . . . . . . . . 4857 1 514 . 1 1 43 43 TYR C C 13 178.40 0.50 . 1 . . . . . . . . 4857 1 515 . 1 1 43 43 TYR N N 15 122.28 0.25 . 1 . . . . . . . . 4857 1 516 . 1 1 44 44 VAL H H 1 8.62 0.03 . 1 . . . . . . . . 4857 1 517 . 1 1 44 44 VAL HA H 1 3.53 0.03 . 1 . . . . . . . . 4857 1 518 . 1 1 44 44 VAL HB H 1 2.13 0.03 . 1 . . . . . . . . 4857 1 519 . 1 1 44 44 VAL HG11 H 1 1.06 0.03 . 1 . . . . . . . . 4857 1 520 . 1 1 44 44 VAL HG12 H 1 1.06 0.03 . 1 . . . . . . . . 4857 1 521 . 1 1 44 44 VAL HG13 H 1 1.06 0.03 . 1 . . . . . . . . 4857 1 522 . 1 1 44 44 VAL HG21 H 1 0.88 0.03 . 1 . . . . . . . . 4857 1 523 . 1 1 44 44 VAL HG22 H 1 0.88 0.03 . 1 . . . . . . . . 4857 1 524 . 1 1 44 44 VAL HG23 H 1 0.88 0.03 . 1 . . . . . . . . 4857 1 525 . 1 1 44 44 VAL CA C 13 66.32 0.50 . 1 . . . . . . . . 4857 1 526 . 1 1 44 44 VAL CB C 13 30.78 0.50 . 1 . . . . . . . . 4857 1 527 . 1 1 44 44 VAL C C 13 176.90 0.50 . 1 . . . . . . . . 4857 1 528 . 1 1 44 44 VAL CG1 C 13 21.20 0.50 . 1 . . . . . . . . 4857 1 529 . 1 1 44 44 VAL CG2 C 13 22.60 0.50 . 1 . . . . . . . . 4857 1 530 . 1 1 44 44 VAL N N 15 117.54 0.25 . 1 . . . . . . . . 4857 1 531 . 1 1 45 45 SER H H 1 7.95 0.03 . 1 . . . . . . . . 4857 1 532 . 1 1 45 45 SER HA H 1 4.46 0.03 . 1 . . . . . . . . 4857 1 533 . 1 1 45 45 SER HB2 H 1 4.11 0.03 . 1 . . . . . . . . 4857 1 534 . 1 1 45 45 SER HB3 H 1 4.11 0.03 . 1 . . . . . . . . 4857 1 535 . 1 1 45 45 SER CA C 13 61.40 0.50 . 1 . . . . . . . . 4857 1 536 . 1 1 45 45 SER CB C 13 62.33 0.50 . 1 . . . . . . . . 4857 1 537 . 1 1 45 45 SER C C 13 177.10 0.50 . 1 . . . . . . . . 4857 1 538 . 1 1 45 45 SER N N 15 115.27 0.25 . 1 . . . . . . . . 4857 1 539 . 1 1 46 46 VAL H H 1 8.14 0.03 . 1 . . . . . . . . 4857 1 540 . 1 1 46 46 VAL HA H 1 3.79 0.03 . 1 . . . . . . . . 4857 1 541 . 1 1 46 46 VAL HB H 1 2.25 0.03 . 1 . . . . . . . . 4857 1 542 . 1 1 46 46 VAL HG11 H 1 0.91 0.03 . 1 . . . . . . . . 4857 1 543 . 1 1 46 46 VAL HG12 H 1 0.91 0.03 . 1 . . . . . . . . 4857 1 544 . 1 1 46 46 VAL HG13 H 1 0.91 0.03 . 1 . . . . . . . . 4857 1 545 . 1 1 46 46 VAL HG21 H 1 1.13 0.03 . 1 . . . . . . . . 4857 1 546 . 1 1 46 46 VAL HG22 H 1 1.13 0.03 . 1 . . . . . . . . 4857 1 547 . 1 1 46 46 VAL HG23 H 1 1.13 0.03 . 1 . . . . . . . . 4857 1 548 . 1 1 46 46 VAL CA C 13 65.85 0.50 . 1 . . . . . . . . 4857 1 549 . 1 1 46 46 VAL CB C 13 31.11 0.50 . 1 . . . . . . . . 4857 1 550 . 1 1 46 46 VAL C C 13 177.97 0.50 . 1 . . . . . . . . 4857 1 551 . 1 1 46 46 VAL CG1 C 13 21.43 0.50 . 1 . . . . . . . . 4857 1 552 . 1 1 46 46 VAL CG2 C 13 22.56 0.50 . 1 . . . . . . . . 4857 1 553 . 1 1 46 46 VAL N N 15 124.09 0.25 . 1 . . . . . . . . 4857 1 554 . 1 1 47 47 LEU H H 1 8.53 0.03 . 1 . . . . . . . . 4857 1 555 . 1 1 47 47 LEU HA H 1 3.92 0.03 . 1 . . . . . . . . 4857 1 556 . 1 1 47 47 LEU HB2 H 1 1.96 0.03 . 1 . . . . . . . . 4857 1 557 . 1 1 47 47 LEU HB3 H 1 1.96 0.03 . 1 . . . . . . . . 4857 1 558 . 1 1 47 47 LEU HG H 1 1.75 0.03 . 1 . . . . . . . . 4857 1 559 . 1 1 47 47 LEU HD11 H 1 1.04 0.03 . 1 . . . . . . . . 4857 1 560 . 1 1 47 47 LEU HD12 H 1 1.04 0.03 . 1 . . . . . . . . 4857 1 561 . 1 1 47 47 LEU HD13 H 1 1.04 0.03 . 1 . . . . . . . . 4857 1 562 . 1 1 47 47 LEU HD21 H 1 1.01 0.03 . 1 . . . . . . . . 4857 1 563 . 1 1 47 47 LEU HD22 H 1 1.01 0.03 . 1 . . . . . . . . 4857 1 564 . 1 1 47 47 LEU HD23 H 1 1.01 0.03 . 1 . . . . . . . . 4857 1 565 . 1 1 47 47 LEU CA C 13 58.51 0.50 . 1 . . . . . . . . 4857 1 566 . 1 1 47 47 LEU CB C 13 41.77 0.50 . 1 . . . . . . . . 4857 1 567 . 1 1 47 47 LEU C C 13 177.48 0.50 . 1 . . . . . . . . 4857 1 568 . 1 1 47 47 LEU CG C 13 26.11 0.50 . 1 . . . . . . . . 4857 1 569 . 1 1 47 47 LEU CD1 C 13 24.97 0.50 . 1 . . . . . . . . 4857 1 570 . 1 1 47 47 LEU CD2 C 13 26.24 0.50 . 1 . . . . . . . . 4857 1 571 . 1 1 47 47 LEU N N 15 122.96 0.25 . 1 . . . . . . . . 4857 1 572 . 1 1 48 48 GLU H H 1 8.55 0.03 . 1 . . . . . . . . 4857 1 573 . 1 1 48 48 GLU HA H 1 4.00 0.03 . 1 . . . . . . . . 4857 1 574 . 1 1 48 48 GLU HB2 H 1 2.18 0.03 . 1 . . . . . . . . 4857 1 575 . 1 1 48 48 GLU HB3 H 1 2.18 0.03 . 1 . . . . . . . . 4857 1 576 . 1 1 48 48 GLU HG2 H 1 2.48 0.03 . 2 . . . . . . . . 4857 1 577 . 1 1 48 48 GLU HG3 H 1 2.58 0.03 . 2 . . . . . . . . 4857 1 578 . 1 1 48 48 GLU CA C 13 59.71 0.50 . 1 . . . . . . . . 4857 1 579 . 1 1 48 48 GLU CB C 13 29.43 0.50 . 1 . . . . . . . . 4857 1 580 . 1 1 48 48 GLU C C 13 178.56 0.50 . 1 . . . . . . . . 4857 1 581 . 1 1 48 48 GLU CG C 13 36.54 0.50 . 1 . . . . . . . . 4857 1 582 . 1 1 48 48 GLU N N 15 116.82 0.25 . 1 . . . . . . . . 4857 1 583 . 1 1 49 49 SER H H 1 8.33 0.03 . 1 . . . . . . . . 4857 1 584 . 1 1 49 49 SER HA H 1 4.33 0.03 . 1 . . . . . . . . 4857 1 585 . 1 1 49 49 SER HB2 H 1 4.09 0.03 . 1 . . . . . . . . 4857 1 586 . 1 1 49 49 SER HB3 H 1 4.09 0.03 . 1 . . . . . . . . 4857 1 587 . 1 1 49 49 SER CA C 13 61.21 0.50 . 1 . . . . . . . . 4857 1 588 . 1 1 49 49 SER CB C 13 61.87 0.50 . 1 . . . . . . . . 4857 1 589 . 1 1 49 49 SER C C 13 176.83 0.50 . 1 . . . . . . . . 4857 1 590 . 1 1 49 49 SER N N 15 116.55 0.25 . 1 . . . . . . . . 4857 1 591 . 1 1 50 50 ASN H H 1 8.73 0.03 . 1 . . . . . . . . 4857 1 592 . 1 1 50 50 ASN HA H 1 4.66 0.03 . 1 . . . . . . . . 4857 1 593 . 1 1 50 50 ASN HB2 H 1 2.83 0.03 . 2 . . . . . . . . 4857 1 594 . 1 1 50 50 ASN HB3 H 1 2.98 0.03 . 2 . . . . . . . . 4857 1 595 . 1 1 50 50 ASN HD21 H 1 5.86 0.03 . 2 . . . . . . . . 4857 1 596 . 1 1 50 50 ASN HD22 H 1 7.33 0.03 . 2 . . . . . . . . 4857 1 597 . 1 1 50 50 ASN CA C 13 55.44 0.50 . 1 . . . . . . . . 4857 1 598 . 1 1 50 50 ASN CB C 13 37.56 0.50 . 1 . . . . . . . . 4857 1 599 . 1 1 50 50 ASN C C 13 176.26 0.50 . 1 . . . . . . . . 4857 1 600 . 1 1 50 50 ASN N N 15 121.93 0.25 . 1 . . . . . . . . 4857 1 601 . 1 1 50 50 ASN ND2 N 15 110.32 0.25 . 1 . . . . . . . . 4857 1 602 . 1 1 51 51 LEU H H 1 8.29 0.03 . 1 . . . . . . . . 4857 1 603 . 1 1 51 51 LEU HA H 1 4.24 0.03 . 1 . . . . . . . . 4857 1 604 . 1 1 51 51 LEU HB2 H 1 2.29 0.03 . 2 . . . . . . . . 4857 1 605 . 1 1 51 51 LEU HB3 H 1 1.54 0.03 . 2 . . . . . . . . 4857 1 606 . 1 1 51 51 LEU HG H 1 1.59 0.03 . 1 . . . . . . . . 4857 1 607 . 1 1 51 51 LEU HD11 H 1 0.86 0.03 . 1 . . . . . . . . 4857 1 608 . 1 1 51 51 LEU HD12 H 1 0.86 0.03 . 1 . . . . . . . . 4857 1 609 . 1 1 51 51 LEU HD13 H 1 0.86 0.03 . 1 . . . . . . . . 4857 1 610 . 1 1 51 51 LEU HD21 H 1 1.03 0.03 . 1 . . . . . . . . 4857 1 611 . 1 1 51 51 LEU HD22 H 1 1.03 0.03 . 1 . . . . . . . . 4857 1 612 . 1 1 51 51 LEU HD23 H 1 1.03 0.03 . 1 . . . . . . . . 4857 1 613 . 1 1 51 51 LEU CA C 13 58.02 0.50 . 1 . . . . . . . . 4857 1 614 . 1 1 51 51 LEU CB C 13 40.53 0.50 . 1 . . . . . . . . 4857 1 615 . 1 1 51 51 LEU C C 13 179.86 0.50 . 1 . . . . . . . . 4857 1 616 . 1 1 51 51 LEU CG C 13 25.84 0.50 . 1 . . . . . . . . 4857 1 617 . 1 1 51 51 LEU CD1 C 13 22.39 0.50 . 1 . . . . . . . . 4857 1 618 . 1 1 51 51 LEU CD2 C 13 25.58 0.50 . 1 . . . . . . . . 4857 1 619 . 1 1 51 51 LEU N N 15 123.20 0.25 . 1 . . . . . . . . 4857 1 620 . 1 1 52 52 THR H H 1 8.37 0.03 . 1 . . . . . . . . 4857 1 621 . 1 1 52 52 THR HA H 1 3.98 0.03 . 1 . . . . . . . . 4857 1 622 . 1 1 52 52 THR HB H 1 4.32 0.03 . 1 . . . . . . . . 4857 1 623 . 1 1 52 52 THR HG21 H 1 1.34 0.03 . 1 . . . . . . . . 4857 1 624 . 1 1 52 52 THR HG22 H 1 1.34 0.03 . 1 . . . . . . . . 4857 1 625 . 1 1 52 52 THR HG23 H 1 1.34 0.03 . 1 . . . . . . . . 4857 1 626 . 1 1 52 52 THR CA C 13 65.81 0.50 . 1 . . . . . . . . 4857 1 627 . 1 1 52 52 THR CB C 13 67.86 0.50 . 1 . . . . . . . . 4857 1 628 . 1 1 52 52 THR C C 13 175.01 0.50 . 1 . . . . . . . . 4857 1 629 . 1 1 52 52 THR CG2 C 13 21.34 0.50 . 1 . . . . . . . . 4857 1 630 . 1 1 52 52 THR N N 15 118.11 0.25 . 1 . . . . . . . . 4857 1 631 . 1 1 53 53 ALA H H 1 7.75 0.03 . 1 . . . . . . . . 4857 1 632 . 1 1 53 53 ALA HA H 1 4.37 0.03 . 1 . . . . . . . . 4857 1 633 . 1 1 53 53 ALA HB1 H 1 1.58 0.03 . 1 . . . . . . . . 4857 1 634 . 1 1 53 53 ALA HB2 H 1 1.58 0.03 . 1 . . . . . . . . 4857 1 635 . 1 1 53 53 ALA HB3 H 1 1.58 0.03 . 1 . . . . . . . . 4857 1 636 . 1 1 53 53 ALA CA C 13 51.70 0.50 . 1 . . . . . . . . 4857 1 637 . 1 1 53 53 ALA CB C 13 18.36 0.50 . 1 . . . . . . . . 4857 1 638 . 1 1 53 53 ALA C C 13 175.43 0.50 . 1 . . . . . . . . 4857 1 639 . 1 1 53 53 ALA N N 15 121.17 0.25 . 1 . . . . . . . . 4857 1 640 . 1 1 54 54 GLN H H 1 8.04 0.03 . 1 . . . . . . . . 4857 1 641 . 1 1 54 54 GLN HA H 1 3.83 0.03 . 1 . . . . . . . . 4857 1 642 . 1 1 54 54 GLN HB2 H 1 2.37 0.03 . 1 . . . . . . . . 4857 1 643 . 1 1 54 54 GLN HB3 H 1 2.37 0.03 . 1 . . . . . . . . 4857 1 644 . 1 1 54 54 GLN HG2 H 1 2.39 0.03 . 1 . . . . . . . . 4857 1 645 . 1 1 54 54 GLN HG3 H 1 2.39 0.03 . 1 . . . . . . . . 4857 1 646 . 1 1 54 54 GLN HE21 H 1 6.80 0.03 . 2 . . . . . . . . 4857 1 647 . 1 1 54 54 GLN HE22 H 1 7.56 0.03 . 2 . . . . . . . . 4857 1 648 . 1 1 54 54 GLN CA C 13 56.09 0.50 . 1 . . . . . . . . 4857 1 649 . 1 1 54 54 GLN CB C 13 25.58 0.50 . 1 . . . . . . . . 4857 1 650 . 1 1 54 54 GLN C C 13 174.10 0.50 . 1 . . . . . . . . 4857 1 651 . 1 1 54 54 GLN CG C 13 33.63 0.50 . 1 . . . . . . . . 4857 1 652 . 1 1 54 54 GLN N N 15 116.27 0.25 . 1 . . . . . . . . 4857 1 653 . 1 1 54 54 GLN NE2 N 15 112.30 0.25 . 1 . . . . . . . . 4857 1 654 . 1 1 55 55 ASP H H 1 8.33 0.03 . 1 . . . . . . . . 4857 1 655 . 1 1 55 55 ASP HA H 1 4.83 0.03 . 1 . . . . . . . . 4857 1 656 . 1 1 55 55 ASP HB2 H 1 3.11 0.03 . 2 . . . . . . . . 4857 1 657 . 1 1 55 55 ASP HB3 H 1 2.45 0.03 . 2 . . . . . . . . 4857 1 658 . 1 1 55 55 ASP CA C 13 51.54 0.50 . 1 . . . . . . . . 4857 1 659 . 1 1 55 55 ASP CB C 13 39.66 0.50 . 1 . . . . . . . . 4857 1 660 . 1 1 55 55 ASP C C 13 174.75 0.50 . 1 . . . . . . . . 4857 1 661 . 1 1 55 55 ASP N N 15 118.93 0.25 . 1 . . . . . . . . 4857 1 662 . 1 1 56 56 LYS H H 1 8.10 0.03 . 1 . . . . . . . . 4857 1 663 . 1 1 56 56 LYS HA H 1 4.09 0.03 . 1 . . . . . . . . 4857 1 664 . 1 1 56 56 LYS HB2 H 1 2.00 0.03 . 2 . . . . . . . . 4857 1 665 . 1 1 56 56 LYS HB3 H 1 1.97 0.03 . 2 . . . . . . . . 4857 1 666 . 1 1 56 56 LYS HG2 H 1 1.52 0.03 . 1 . . . . . . . . 4857 1 667 . 1 1 56 56 LYS HG3 H 1 1.52 0.03 . 1 . . . . . . . . 4857 1 668 . 1 1 56 56 LYS HD2 H 1 1.73 0.03 . 1 . . . . . . . . 4857 1 669 . 1 1 56 56 LYS HD3 H 1 1.73 0.03 . 1 . . . . . . . . 4857 1 670 . 1 1 56 56 LYS CA C 13 60.23 0.50 . 1 . . . . . . . . 4857 1 671 . 1 1 56 56 LYS CB C 13 32.09 0.50 . 1 . . . . . . . . 4857 1 672 . 1 1 56 56 LYS C C 13 177.09 0.50 . 1 . . . . . . . . 4857 1 673 . 1 1 56 56 LYS CG C 13 24.55 0.50 . 1 . . . . . . . . 4857 1 674 . 1 1 56 56 LYS CD C 13 29.05 0.50 . 1 . . . . . . . . 4857 1 675 . 1 1 56 56 LYS CE C 13 41.11 0.50 . 1 . . . . . . . . 4857 1 676 . 1 1 56 56 LYS N N 15 125.25 0.25 . 1 . . . . . . . . 4857 1 677 . 1 1 57 57 LYS H H 1 8.13 0.03 . 1 . . . . . . . . 4857 1 678 . 1 1 57 57 LYS HA H 1 3.98 0.03 . 1 . . . . . . . . 4857 1 679 . 1 1 57 57 LYS HB2 H 1 1.90 0.03 . 1 . . . . . . . . 4857 1 680 . 1 1 57 57 LYS HB3 H 1 1.90 0.03 . 1 . . . . . . . . 4857 1 681 . 1 1 57 57 LYS HG2 H 1 1.50 0.03 . 1 . . . . . . . . 4857 1 682 . 1 1 57 57 LYS HG3 H 1 1.50 0.03 . 1 . . . . . . . . 4857 1 683 . 1 1 57 57 LYS HD2 H 1 1.73 0.03 . 1 . . . . . . . . 4857 1 684 . 1 1 57 57 LYS HD3 H 1 1.73 0.03 . 1 . . . . . . . . 4857 1 685 . 1 1 57 57 LYS HE2 H 1 3.06 0.03 . 1 . . . . . . . . 4857 1 686 . 1 1 57 57 LYS HE3 H 1 3.06 0.03 . 1 . . . . . . . . 4857 1 687 . 1 1 57 57 LYS CA C 13 58.97 0.50 . 1 . . . . . . . . 4857 1 688 . 1 1 57 57 LYS CB C 13 31.33 0.50 . 1 . . . . . . . . 4857 1 689 . 1 1 57 57 LYS C C 13 178.37 0.50 . 1 . . . . . . . . 4857 1 690 . 1 1 57 57 LYS CG C 13 24.16 0.50 . 1 . . . . . . . . 4857 1 691 . 1 1 57 57 LYS CD C 13 28.88 0.50 . 1 . . . . . . . . 4857 1 692 . 1 1 57 57 LYS CE C 13 41.36 0.50 . 1 . . . . . . . . 4857 1 693 . 1 1 57 57 LYS N N 15 117.97 0.25 . 1 . . . . . . . . 4857 1 694 . 1 1 58 58 GLY H H 1 8.22 0.03 . 1 . . . . . . . . 4857 1 695 . 1 1 58 58 GLY HA2 H 1 3.67 0.03 . 2 . . . . . . . . 4857 1 696 . 1 1 58 58 GLY HA3 H 1 3.91 0.03 . 2 . . . . . . . . 4857 1 697 . 1 1 58 58 GLY CA C 13 46.68 0.50 . 1 . . . . . . . . 4857 1 698 . 1 1 58 58 GLY C C 13 176.74 0.50 . 1 . . . . . . . . 4857 1 699 . 1 1 58 58 GLY N N 15 108.30 0.25 . 1 . . . . . . . . 4857 1 700 . 1 1 59 59 ILE H H 1 8.43 0.03 . 1 . . . . . . . . 4857 1 701 . 1 1 59 59 ILE HA H 1 3.59 0.03 . 1 . . . . . . . . 4857 1 702 . 1 1 59 59 ILE HB H 1 2.32 0.03 . 1 . . . . . . . . 4857 1 703 . 1 1 59 59 ILE HG21 H 1 1.15 0.03 . 1 . . . . . . . . 4857 1 704 . 1 1 59 59 ILE HG22 H 1 1.15 0.03 . 1 . . . . . . . . 4857 1 705 . 1 1 59 59 ILE HG23 H 1 1.15 0.03 . 1 . . . . . . . . 4857 1 706 . 1 1 59 59 ILE HD11 H 1 0.94 0.03 . 1 . . . . . . . . 4857 1 707 . 1 1 59 59 ILE HD12 H 1 0.94 0.03 . 1 . . . . . . . . 4857 1 708 . 1 1 59 59 ILE HD13 H 1 0.94 0.03 . 1 . . . . . . . . 4857 1 709 . 1 1 59 59 ILE CA C 13 65.80 0.50 . 1 . . . . . . . . 4857 1 710 . 1 1 59 59 ILE CB C 13 38.61 0.50 . 1 . . . . . . . . 4857 1 711 . 1 1 59 59 ILE C C 13 176.33 0.50 . 1 . . . . . . . . 4857 1 712 . 1 1 59 59 ILE CG1 C 13 28.54 0.50 . 1 . . . . . . . . 4857 1 713 . 1 1 59 59 ILE CG2 C 13 18.29 0.50 . 1 . . . . . . . . 4857 1 714 . 1 1 59 59 ILE CD1 C 13 13.86 0.50 . 1 . . . . . . . . 4857 1 715 . 1 1 59 59 ILE N N 15 123.90 0.25 . 1 . . . . . . . . 4857 1 716 . 1 1 60 60 VAL H H 1 8.03 0.03 . 1 . . . . . . . . 4857 1 717 . 1 1 60 60 VAL HA H 1 3.71 0.03 . 1 . . . . . . . . 4857 1 718 . 1 1 60 60 VAL HB H 1 2.27 0.03 . 1 . . . . . . . . 4857 1 719 . 1 1 60 60 VAL HG11 H 1 1.03 0.03 . 1 . . . . . . . . 4857 1 720 . 1 1 60 60 VAL HG12 H 1 1.03 0.03 . 1 . . . . . . . . 4857 1 721 . 1 1 60 60 VAL HG13 H 1 1.03 0.03 . 1 . . . . . . . . 4857 1 722 . 1 1 60 60 VAL HG21 H 1 1.16 0.03 . 1 . . . . . . . . 4857 1 723 . 1 1 60 60 VAL HG22 H 1 1.16 0.03 . 1 . . . . . . . . 4857 1 724 . 1 1 60 60 VAL HG23 H 1 1.16 0.03 . 1 . . . . . . . . 4857 1 725 . 1 1 60 60 VAL CA C 13 66.35 0.50 . 1 . . . . . . . . 4857 1 726 . 1 1 60 60 VAL CB C 13 31.33 0.50 . 1 . . . . . . . . 4857 1 727 . 1 1 60 60 VAL C C 13 177.49 0.50 . 1 . . . . . . . . 4857 1 728 . 1 1 60 60 VAL CG1 C 13 20.27 0.50 . 1 . . . . . . . . 4857 1 729 . 1 1 60 60 VAL CG2 C 13 22.23 0.50 . 1 . . . . . . . . 4857 1 730 . 1 1 60 60 VAL N N 15 118.99 0.25 . 1 . . . . . . . . 4857 1 731 . 1 1 61 61 GLU H H 1 8.34 0.03 . 1 . . . . . . . . 4857 1 732 . 1 1 61 61 GLU HA H 1 4.12 0.03 . 1 . . . . . . . . 4857 1 733 . 1 1 61 61 GLU HB2 H 1 2.18 0.03 . 1 . . . . . . . . 4857 1 734 . 1 1 61 61 GLU HB3 H 1 2.18 0.03 . 1 . . . . . . . . 4857 1 735 . 1 1 61 61 GLU HG2 H 1 2.36 0.03 . 1 . . . . . . . . 4857 1 736 . 1 1 61 61 GLU HG3 H 1 2.36 0.03 . 1 . . . . . . . . 4857 1 737 . 1 1 61 61 GLU CA C 13 58.74 0.50 . 1 . . . . . . . . 4857 1 738 . 1 1 61 61 GLU CB C 13 28.96 0.50 . 1 . . . . . . . . 4857 1 739 . 1 1 61 61 GLU C C 13 179.16 0.50 . 1 . . . . . . . . 4857 1 740 . 1 1 61 61 GLU CG C 13 35.78 0.50 . 1 . . . . . . . . 4857 1 741 . 1 1 61 61 GLU N N 15 118.48 0.25 . 1 . . . . . . . . 4857 1 742 . 1 1 62 62 GLU H H 1 8.14 0.03 . 1 . . . . . . . . 4857 1 743 . 1 1 62 62 GLU HA H 1 4.18 0.03 . 1 . . . . . . . . 4857 1 744 . 1 1 62 62 GLU HB2 H 1 2.03 0.03 . 1 . . . . . . . . 4857 1 745 . 1 1 62 62 GLU HB3 H 1 2.03 0.03 . 1 . . . . . . . . 4857 1 746 . 1 1 62 62 GLU HG2 H 1 2.65 0.03 . 2 . . . . . . . . 4857 1 747 . 1 1 62 62 GLU HG3 H 1 2.21 0.03 . 2 . . . . . . . . 4857 1 748 . 1 1 62 62 GLU CA C 13 58.22 0.50 . 1 . . . . . . . . 4857 1 749 . 1 1 62 62 GLU CB C 13 28.07 0.50 . 1 . . . . . . . . 4857 1 750 . 1 1 62 62 GLU C C 13 179.21 0.50 . 1 . . . . . . . . 4857 1 751 . 1 1 62 62 GLU CG C 13 34.77 0.50 . 1 . . . . . . . . 4857 1 752 . 1 1 62 62 GLU N N 15 120.36 0.25 . 1 . . . . . . . . 4857 1 753 . 1 1 63 63 GLY H H 1 8.90 0.03 . 1 . . . . . . . . 4857 1 754 . 1 1 63 63 GLY HA2 H 1 3.65 0.03 . 2 . . . . . . . . 4857 1 755 . 1 1 63 63 GLY HA3 H 1 3.59 0.03 . 2 . . . . . . . . 4857 1 756 . 1 1 63 63 GLY CA C 13 47.27 0.50 . 1 . . . . . . . . 4857 1 757 . 1 1 63 63 GLY C C 13 173.58 0.50 . 1 . . . . . . . . 4857 1 758 . 1 1 63 63 GLY N N 15 107.27 0.25 . 1 . . . . . . . . 4857 1 759 . 1 1 64 64 HIS H H 1 8.53 0.03 . 1 . . . . . . . . 4857 1 760 . 1 1 64 64 HIS HA H 1 4.30 0.03 . 1 . . . . . . . . 4857 1 761 . 1 1 64 64 HIS HB2 H 1 3.49 0.03 . 2 . . . . . . . . 4857 1 762 . 1 1 64 64 HIS HB3 H 1 3.36 0.03 . 2 . . . . . . . . 4857 1 763 . 1 1 64 64 HIS HD2 H 1 7.22 0.03 . 1 . . . . . . . . 4857 1 764 . 1 1 64 64 HIS HE1 H 1 8.26 0.03 . 1 . . . . . . . . 4857 1 765 . 1 1 64 64 HIS CA C 13 58.91 0.50 . 1 . . . . . . . . 4857 1 766 . 1 1 64 64 HIS CB C 13 28.29 0.50 . 1 . . . . . . . . 4857 1 767 . 1 1 64 64 HIS C C 13 177.37 0.50 . 1 . . . . . . . . 4857 1 768 . 1 1 64 64 HIS N N 15 120.61 0.25 . 1 . . . . . . . . 4857 1 769 . 1 1 64 64 HIS ND1 N 15 186.61 0.25 . 1 . . . . . . . . 4857 1 770 . 1 1 64 64 HIS NE2 N 15 184.04 0.25 . 1 . . . . . . . . 4857 1 771 . 1 1 65 65 LYS H H 1 7.71 0.03 . 1 . . . . . . . . 4857 1 772 . 1 1 65 65 LYS HA H 1 3.80 0.03 . 1 . . . . . . . . 4857 1 773 . 1 1 65 65 LYS HB2 H 1 1.61 0.03 . 2 . . . . . . . . 4857 1 774 . 1 1 65 65 LYS HB3 H 1 1.41 0.03 . 2 . . . . . . . . 4857 1 775 . 1 1 65 65 LYS HG2 H 1 1.44 0.03 . 1 . . . . . . . . 4857 1 776 . 1 1 65 65 LYS HG3 H 1 1.44 0.03 . 1 . . . . . . . . 4857 1 777 . 1 1 65 65 LYS HD2 H 1 1.58 0.03 . 1 . . . . . . . . 4857 1 778 . 1 1 65 65 LYS HD3 H 1 1.58 0.03 . 1 . . . . . . . . 4857 1 779 . 1 1 65 65 LYS HE2 H 1 2.83 0.03 . 1 . . . . . . . . 4857 1 780 . 1 1 65 65 LYS HE3 H 1 2.83 0.03 . 1 . . . . . . . . 4857 1 781 . 1 1 65 65 LYS CA C 13 58.99 0.50 . 1 . . . . . . . . 4857 1 782 . 1 1 65 65 LYS CB C 13 31.52 0.50 . 1 . . . . . . . . 4857 1 783 . 1 1 65 65 LYS C C 13 178.95 0.50 . 1 . . . . . . . . 4857 1 784 . 1 1 65 65 LYS CG C 13 24.35 0.50 . 1 . . . . . . . . 4857 1 785 . 1 1 65 65 LYS CD C 13 29.17 0.50 . 1 . . . . . . . . 4857 1 786 . 1 1 65 65 LYS CE C 13 41.41 0.50 . 1 . . . . . . . . 4857 1 787 . 1 1 65 65 LYS N N 15 121.09 0.25 . 1 . . . . . . . . 4857 1 788 . 1 1 66 66 ILE H H 1 8.06 0.03 . 1 . . . . . . . . 4857 1 789 . 1 1 66 66 ILE HA H 1 3.38 0.03 . 1 . . . . . . . . 4857 1 790 . 1 1 66 66 ILE HB H 1 1.67 0.03 . 1 . . . . . . . . 4857 1 791 . 1 1 66 66 ILE HG21 H 1 0.95 0.03 . 1 . . . . . . . . 4857 1 792 . 1 1 66 66 ILE HG22 H 1 0.95 0.03 . 1 . . . . . . . . 4857 1 793 . 1 1 66 66 ILE HG23 H 1 0.95 0.03 . 1 . . . . . . . . 4857 1 794 . 1 1 66 66 ILE HD11 H 1 0.80 0.03 . 1 . . . . . . . . 4857 1 795 . 1 1 66 66 ILE HD12 H 1 0.80 0.03 . 1 . . . . . . . . 4857 1 796 . 1 1 66 66 ILE HD13 H 1 0.80 0.03 . 1 . . . . . . . . 4857 1 797 . 1 1 66 66 ILE CA C 13 65.24 0.50 . 1 . . . . . . . . 4857 1 798 . 1 1 66 66 ILE CB C 13 38.21 0.50 . 1 . . . . . . . . 4857 1 799 . 1 1 66 66 ILE C C 13 175.97 0.50 . 1 . . . . . . . . 4857 1 800 . 1 1 66 66 ILE CG1 C 13 29.22 0.50 . 1 . . . . . . . . 4857 1 801 . 1 1 66 66 ILE CG2 C 13 16.36 0.50 . 1 . . . . . . . . 4857 1 802 . 1 1 66 66 ILE CD1 C 13 14.87 0.50 . 1 . . . . . . . . 4857 1 803 . 1 1 66 66 ILE N N 15 120.11 0.25 . 1 . . . . . . . . 4857 1 804 . 1 1 67 67 LYS H H 1 8.58 0.03 . 1 . . . . . . . . 4857 1 805 . 1 1 67 67 LYS HA H 1 3.86 0.03 . 1 . . . . . . . . 4857 1 806 . 1 1 67 67 LYS HB2 H 1 1.93 0.03 . 2 . . . . . . . . 4857 1 807 . 1 1 67 67 LYS HB3 H 1 1.71 0.03 . 2 . . . . . . . . 4857 1 808 . 1 1 67 67 LYS HG2 H 1 1.40 0.03 . 1 . . . . . . . . 4857 1 809 . 1 1 67 67 LYS HG3 H 1 1.40 0.03 . 1 . . . . . . . . 4857 1 810 . 1 1 67 67 LYS HD2 H 1 1.67 0.03 . 1 . . . . . . . . 4857 1 811 . 1 1 67 67 LYS HD3 H 1 1.67 0.03 . 1 . . . . . . . . 4857 1 812 . 1 1 67 67 LYS HE2 H 1 2.92 0.03 . 1 . . . . . . . . 4857 1 813 . 1 1 67 67 LYS HE3 H 1 2.92 0.03 . 1 . . . . . . . . 4857 1 814 . 1 1 67 67 LYS CA C 13 60.02 0.50 . 1 . . . . . . . . 4857 1 815 . 1 1 67 67 LYS CB C 13 31.74 0.50 . 1 . . . . . . . . 4857 1 816 . 1 1 67 67 LYS C C 13 178.71 0.50 . 1 . . . . . . . . 4857 1 817 . 1 1 67 67 LYS CG C 13 23.81 0.50 . 1 . . . . . . . . 4857 1 818 . 1 1 67 67 LYS CD C 13 28.93 0.50 . 1 . . . . . . . . 4857 1 819 . 1 1 67 67 LYS CE C 13 41.30 0.50 . 1 . . . . . . . . 4857 1 820 . 1 1 67 67 LYS N N 15 120.14 0.25 . 1 . . . . . . . . 4857 1 821 . 1 1 68 68 GLY H H 1 7.62 0.03 . 1 . . . . . . . . 4857 1 822 . 1 1 68 68 GLY HA2 H 1 3.93 0.03 . 2 . . . . . . . . 4857 1 823 . 1 1 68 68 GLY HA3 H 1 3.80 0.03 . 2 . . . . . . . . 4857 1 824 . 1 1 68 68 GLY CA C 13 46.21 0.50 . 1 . . . . . . . . 4857 1 825 . 1 1 68 68 GLY C C 13 175.49 0.50 . 1 . . . . . . . . 4857 1 826 . 1 1 68 68 GLY N N 15 104.51 0.25 . 1 . . . . . . . . 4857 1 827 . 1 1 69 69 ALA H H 1 8.07 0.03 . 1 . . . . . . . . 4857 1 828 . 1 1 69 69 ALA HA H 1 4.32 0.03 . 1 . . . . . . . . 4857 1 829 . 1 1 69 69 ALA HB1 H 1 1.79 0.03 . 1 . . . . . . . . 4857 1 830 . 1 1 69 69 ALA HB2 H 1 1.79 0.03 . 1 . . . . . . . . 4857 1 831 . 1 1 69 69 ALA HB3 H 1 1.79 0.03 . 1 . . . . . . . . 4857 1 832 . 1 1 69 69 ALA CA C 13 54.40 0.50 . 1 . . . . . . . . 4857 1 833 . 1 1 69 69 ALA CB C 13 17.77 0.50 . 1 . . . . . . . . 4857 1 834 . 1 1 69 69 ALA C C 13 179.44 0.50 . 1 . . . . . . . . 4857 1 835 . 1 1 69 69 ALA N N 15 125.96 0.25 . 1 . . . . . . . . 4857 1 836 . 1 1 70 70 ALA H H 1 9.32 0.03 . 1 . . . . . . . . 4857 1 837 . 1 1 70 70 ALA HA H 1 3.68 0.03 . 1 . . . . . . . . 4857 1 838 . 1 1 70 70 ALA HB1 H 1 1.44 0.03 . 1 . . . . . . . . 4857 1 839 . 1 1 70 70 ALA HB2 H 1 1.44 0.03 . 1 . . . . . . . . 4857 1 840 . 1 1 70 70 ALA HB3 H 1 1.44 0.03 . 1 . . . . . . . . 4857 1 841 . 1 1 70 70 ALA CA C 13 53.72 0.50 . 1 . . . . . . . . 4857 1 842 . 1 1 70 70 ALA CB C 13 17.33 0.50 . 1 . . . . . . . . 4857 1 843 . 1 1 70 70 ALA C C 13 179.56 0.50 . 1 . . . . . . . . 4857 1 844 . 1 1 70 70 ALA N N 15 119.96 0.25 . 1 . . . . . . . . 4857 1 845 . 1 1 71 71 GLY H H 1 8.15 0.03 . 1 . . . . . . . . 4857 1 846 . 1 1 71 71 GLY HA2 H 1 3.95 0.03 . 2 . . . . . . . . 4857 1 847 . 1 1 71 71 GLY HA3 H 1 3.73 0.03 . 2 . . . . . . . . 4857 1 848 . 1 1 71 71 GLY CA C 13 46.10 0.50 . 1 . . . . . . . . 4857 1 849 . 1 1 71 71 GLY C C 13 176.02 0.50 . 1 . . . . . . . . 4857 1 850 . 1 1 71 71 GLY N N 15 104.63 0.25 . 1 . . . . . . . . 4857 1 851 . 1 1 72 72 SER H H 1 7.59 0.03 . 1 . . . . . . . . 4857 1 852 . 1 1 72 72 SER HA H 1 4.29 0.03 . 1 . . . . . . . . 4857 1 853 . 1 1 72 72 SER HB2 H 1 4.04 0.03 . 1 . . . . . . . . 4857 1 854 . 1 1 72 72 SER HB3 H 1 4.04 0.03 . 1 . . . . . . . . 4857 1 855 . 1 1 72 72 SER CA C 13 60.75 0.50 . 1 . . . . . . . . 4857 1 856 . 1 1 72 72 SER CB C 13 62.86 0.50 . 1 . . . . . . . . 4857 1 857 . 1 1 72 72 SER C C 13 174.05 0.50 . 1 . . . . . . . . 4857 1 858 . 1 1 72 72 SER N N 15 115.30 0.25 . 1 . . . . . . . . 4857 1 859 . 1 1 73 73 VAL H H 1 6.83 0.03 . 1 . . . . . . . . 4857 1 860 . 1 1 73 73 VAL HA H 1 4.47 0.03 . 1 . . . . . . . . 4857 1 861 . 1 1 73 73 VAL HB H 1 2.41 0.03 . 1 . . . . . . . . 4857 1 862 . 1 1 73 73 VAL HG11 H 1 0.84 0.03 . 1 . . . . . . . . 4857 1 863 . 1 1 73 73 VAL HG12 H 1 0.84 0.03 . 1 . . . . . . . . 4857 1 864 . 1 1 73 73 VAL HG13 H 1 0.84 0.03 . 1 . . . . . . . . 4857 1 865 . 1 1 73 73 VAL HG21 H 1 0.58 0.03 . 1 . . . . . . . . 4857 1 866 . 1 1 73 73 VAL HG22 H 1 0.58 0.03 . 1 . . . . . . . . 4857 1 867 . 1 1 73 73 VAL HG23 H 1 0.58 0.03 . 1 . . . . . . . . 4857 1 868 . 1 1 73 73 VAL CA C 13 59.31 0.50 . 1 . . . . . . . . 4857 1 869 . 1 1 73 73 VAL CB C 13 31.11 0.50 . 1 . . . . . . . . 4857 1 870 . 1 1 73 73 VAL C C 13 172.23 0.50 . 1 . . . . . . . . 4857 1 871 . 1 1 73 73 VAL CG1 C 13 20.85 0.50 . 1 . . . . . . . . 4857 1 872 . 1 1 73 73 VAL CG2 C 13 18.53 0.50 . 1 . . . . . . . . 4857 1 873 . 1 1 73 73 VAL N N 15 110.85 0.25 . 1 . . . . . . . . 4857 1 874 . 1 1 74 74 GLY H H 1 7.06 0.03 . 1 . . . . . . . . 4857 1 875 . 1 1 74 74 GLY HA2 H 1 3.90 0.03 . 1 . . . . . . . . 4857 1 876 . 1 1 74 74 GLY HA3 H 1 3.90 0.03 . 1 . . . . . . . . 4857 1 877 . 1 1 74 74 GLY CA C 13 46.20 0.50 . 1 . . . . . . . . 4857 1 878 . 1 1 74 74 GLY C C 13 174.37 0.50 . 1 . . . . . . . . 4857 1 879 . 1 1 74 74 GLY N N 15 102.48 0.25 . 1 . . . . . . . . 4857 1 880 . 1 1 75 75 LEU H H 1 7.59 0.03 . 1 . . . . . . . . 4857 1 881 . 1 1 75 75 LEU HA H 1 4.61 0.03 . 1 . . . . . . . . 4857 1 882 . 1 1 75 75 LEU HB2 H 1 1.81 0.03 . 2 . . . . . . . . 4857 1 883 . 1 1 75 75 LEU HB3 H 1 1.51 0.03 . 2 . . . . . . . . 4857 1 884 . 1 1 75 75 LEU HG H 1 1.47 0.03 . 1 . . . . . . . . 4857 1 885 . 1 1 75 75 LEU HD11 H 1 0.43 0.03 . 1 . . . . . . . . 4857 1 886 . 1 1 75 75 LEU HD12 H 1 0.43 0.03 . 1 . . . . . . . . 4857 1 887 . 1 1 75 75 LEU HD13 H 1 0.43 0.03 . 1 . . . . . . . . 4857 1 888 . 1 1 75 75 LEU HD21 H 1 0.83 0.03 . 1 . . . . . . . . 4857 1 889 . 1 1 75 75 LEU HD22 H 1 0.83 0.03 . 1 . . . . . . . . 4857 1 890 . 1 1 75 75 LEU HD23 H 1 0.83 0.03 . 1 . . . . . . . . 4857 1 891 . 1 1 75 75 LEU CA C 13 52.77 0.50 . 1 . . . . . . . . 4857 1 892 . 1 1 75 75 LEU CB C 13 38.47 0.50 . 1 . . . . . . . . 4857 1 893 . 1 1 75 75 LEU C C 13 175.15 0.50 . 1 . . . . . . . . 4857 1 894 . 1 1 75 75 LEU CD1 C 13 27.49 0.50 . 1 . . . . . . . . 4857 1 895 . 1 1 75 75 LEU CD2 C 13 23.90 0.50 . 1 . . . . . . . . 4857 1 896 . 1 1 75 75 LEU N N 15 120.92 0.25 . 1 . . . . . . . . 4857 1 897 . 1 1 76 76 ARG H H 1 7.21 0.03 . 1 . . . . . . . . 4857 1 898 . 1 1 76 76 ARG HA H 1 4.04 0.03 . 1 . . . . . . . . 4857 1 899 . 1 1 76 76 ARG HB2 H 1 1.59 0.03 . 2 . . . . . . . . 4857 1 900 . 1 1 76 76 ARG HB3 H 1 1.38 0.03 . 2 . . . . . . . . 4857 1 901 . 1 1 76 76 ARG HG2 H 1 1.66 0.03 . 1 . . . . . . . . 4857 1 902 . 1 1 76 76 ARG HG3 H 1 1.66 0.03 . 1 . . . . . . . . 4857 1 903 . 1 1 76 76 ARG HD2 H 1 3.10 0.03 . 1 . . . . . . . . 4857 1 904 . 1 1 76 76 ARG HD3 H 1 3.10 0.03 . 1 . . . . . . . . 4857 1 905 . 1 1 76 76 ARG CA C 13 58.39 0.50 . 1 . . . . . . . . 4857 1 906 . 1 1 76 76 ARG CB C 13 30.91 0.50 . 1 . . . . . . . . 4857 1 907 . 1 1 76 76 ARG C C 13 176.70 0.50 . 1 . . . . . . . . 4857 1 908 . 1 1 76 76 ARG CG C 13 25.55 0.50 . 1 . . . . . . . . 4857 1 909 . 1 1 76 76 ARG CD C 13 43.07 0.50 . 1 . . . . . . . . 4857 1 910 . 1 1 76 76 ARG N N 15 125.72 0.25 . 1 . . . . . . . . 4857 1 911 . 1 1 77 77 HIS H H 1 7.92 0.03 . 1 . . . . . . . . 4857 1 912 . 1 1 77 77 HIS HA H 1 4.72 0.03 . 1 . . . . . . . . 4857 1 913 . 1 1 77 77 HIS HB2 H 1 3.66 0.03 . 1 . . . . . . . . 4857 1 914 . 1 1 77 77 HIS HB3 H 1 3.66 0.03 . 1 . . . . . . . . 4857 1 915 . 1 1 77 77 HIS HD2 H 1 7.49 0.03 . 1 . . . . . . . . 4857 1 916 . 1 1 77 77 HIS HE1 H 1 8.15 0.03 . 1 . . . . . . . . 4857 1 917 . 1 1 77 77 HIS CA C 13 57.25 0.50 . 1 . . . . . . . . 4857 1 918 . 1 1 77 77 HIS CB C 13 28.03 0.50 . 1 . . . . . . . . 4857 1 919 . 1 1 77 77 HIS C C 13 175.65 0.50 . 1 . . . . . . . . 4857 1 920 . 1 1 77 77 HIS N N 15 120.22 0.25 . 1 . . . . . . . . 4857 1 921 . 1 1 77 77 HIS ND1 N 15 190.32 0.25 . 1 . . . . . . . . 4857 1 922 . 1 1 77 77 HIS NE2 N 15 178.48 0.25 . 1 . . . . . . . . 4857 1 923 . 1 1 78 78 LEU H H 1 7.83 0.03 . 1 . . . . . . . . 4857 1 924 . 1 1 78 78 LEU HA H 1 3.76 0.03 . 1 . . . . . . . . 4857 1 925 . 1 1 78 78 LEU HB2 H 1 1.91 0.03 . 2 . . . . . . . . 4857 1 926 . 1 1 78 78 LEU HB3 H 1 1.20 0.03 . 2 . . . . . . . . 4857 1 927 . 1 1 78 78 LEU HG H 1 2.29 0.03 . 1 . . . . . . . . 4857 1 928 . 1 1 78 78 LEU HD11 H 1 1.53 0.03 . 1 . . . . . . . . 4857 1 929 . 1 1 78 78 LEU HD12 H 1 1.53 0.03 . 1 . . . . . . . . 4857 1 930 . 1 1 78 78 LEU HD13 H 1 1.53 0.03 . 1 . . . . . . . . 4857 1 931 . 1 1 78 78 LEU HD21 H 1 0.81 0.03 . 1 . . . . . . . . 4857 1 932 . 1 1 78 78 LEU HD22 H 1 0.81 0.03 . 1 . . . . . . . . 4857 1 933 . 1 1 78 78 LEU HD23 H 1 0.81 0.03 . 1 . . . . . . . . 4857 1 934 . 1 1 78 78 LEU CA C 13 57.01 0.50 . 1 . . . . . . . . 4857 1 935 . 1 1 78 78 LEU CB C 13 40.13 0.50 . 1 . . . . . . . . 4857 1 936 . 1 1 78 78 LEU C C 13 177.72 0.50 . 1 . . . . . . . . 4857 1 937 . 1 1 78 78 LEU CG C 13 26.06 0.50 . 1 . . . . . . . . 4857 1 938 . 1 1 78 78 LEU CD1 C 13 26.70 0.50 . 1 . . . . . . . . 4857 1 939 . 1 1 78 78 LEU CD2 C 13 20.38 0.50 . 1 . . . . . . . . 4857 1 940 . 1 1 78 78 LEU N N 15 118.00 0.25 . 1 . . . . . . . . 4857 1 941 . 1 1 79 79 GLN H H 1 8.58 0.03 . 1 . . . . . . . . 4857 1 942 . 1 1 79 79 GLN HA H 1 3.79 0.03 . 1 . . . . . . . . 4857 1 943 . 1 1 79 79 GLN HB2 H 1 2.36 0.03 . 2 . . . . . . . . 4857 1 944 . 1 1 79 79 GLN HB3 H 1 1.76 0.03 . 2 . . . . . . . . 4857 1 945 . 1 1 79 79 GLN HG2 H 1 2.53 0.03 . 2 . . . . . . . . 4857 1 946 . 1 1 79 79 GLN HG3 H 1 2.28 0.03 . 2 . . . . . . . . 4857 1 947 . 1 1 79 79 GLN CA C 13 59.44 0.50 . 1 . . . . . . . . 4857 1 948 . 1 1 79 79 GLN CB C 13 27.86 0.50 . 1 . . . . . . . . 4857 1 949 . 1 1 79 79 GLN C C 13 176.51 0.50 . 1 . . . . . . . . 4857 1 950 . 1 1 79 79 GLN CG C 13 33.07 0.50 . 1 . . . . . . . . 4857 1 951 . 1 1 79 79 GLN N N 15 120.22 0.25 . 1 . . . . . . . . 4857 1 952 . 1 1 80 80 GLN H H 1 8.27 0.03 . 1 . . . . . . . . 4857 1 953 . 1 1 80 80 GLN HA H 1 3.93 0.03 . 1 . . . . . . . . 4857 1 954 . 1 1 80 80 GLN HB2 H 1 2.23 0.03 . 2 . . . . . . . . 4857 1 955 . 1 1 80 80 GLN HB3 H 1 2.07 0.03 . 2 . . . . . . . . 4857 1 956 . 1 1 80 80 GLN HG2 H 1 2.36 0.03 . 1 . . . . . . . . 4857 1 957 . 1 1 80 80 GLN HG3 H 1 2.36 0.03 . 1 . . . . . . . . 4857 1 958 . 1 1 80 80 GLN HE21 H 1 6.92 0.03 . 2 . . . . . . . . 4857 1 959 . 1 1 80 80 GLN HE22 H 1 7.03 0.03 . 2 . . . . . . . . 4857 1 960 . 1 1 80 80 GLN CA C 13 57.78 0.50 . 1 . . . . . . . . 4857 1 961 . 1 1 80 80 GLN CB C 13 26.99 0.50 . 1 . . . . . . . . 4857 1 962 . 1 1 80 80 GLN C C 13 178.02 0.50 . 1 . . . . . . . . 4857 1 963 . 1 1 80 80 GLN CG C 13 31.86 0.50 . 1 . . . . . . . . 4857 1 964 . 1 1 80 80 GLN N N 15 119.95 0.25 . 1 . . . . . . . . 4857 1 965 . 1 1 80 80 GLN NE2 N 15 110.97 0.25 . 1 . . . . . . . . 4857 1 966 . 1 1 81 81 LEU H H 1 7.73 0.03 . 1 . . . . . . . . 4857 1 967 . 1 1 81 81 LEU HA H 1 3.75 0.03 . 1 . . . . . . . . 4857 1 968 . 1 1 81 81 LEU HB2 H 1 1.77 0.03 . 2 . . . . . . . . 4857 1 969 . 1 1 81 81 LEU HB3 H 1 1.14 0.03 . 2 . . . . . . . . 4857 1 970 . 1 1 81 81 LEU HG H 1 1.54 0.03 . 1 . . . . . . . . 4857 1 971 . 1 1 81 81 LEU HD11 H 1 0.64 0.03 . 1 . . . . . . . . 4857 1 972 . 1 1 81 81 LEU HD12 H 1 0.64 0.03 . 1 . . . . . . . . 4857 1 973 . 1 1 81 81 LEU HD13 H 1 0.64 0.03 . 1 . . . . . . . . 4857 1 974 . 1 1 81 81 LEU HD21 H 1 0.87 0.03 . 1 . . . . . . . . 4857 1 975 . 1 1 81 81 LEU HD22 H 1 0.87 0.03 . 1 . . . . . . . . 4857 1 976 . 1 1 81 81 LEU HD23 H 1 0.87 0.03 . 1 . . . . . . . . 4857 1 977 . 1 1 81 81 LEU CA C 13 57.30 0.50 . 1 . . . . . . . . 4857 1 978 . 1 1 81 81 LEU CB C 13 42.31 0.50 . 1 . . . . . . . . 4857 1 979 . 1 1 81 81 LEU C C 13 178.56 0.50 . 1 . . . . . . . . 4857 1 980 . 1 1 81 81 LEU CG C 13 25.93 0.50 . 1 . . . . . . . . 4857 1 981 . 1 1 81 81 LEU CD1 C 13 24.29 0.50 . 1 . . . . . . . . 4857 1 982 . 1 1 81 81 LEU CD2 C 13 21.87 0.50 . 1 . . . . . . . . 4857 1 983 . 1 1 81 81 LEU N N 15 119.98 0.25 . 1 . . . . . . . . 4857 1 984 . 1 1 82 82 GLY H H 1 8.39 0.03 . 1 . . . . . . . . 4857 1 985 . 1 1 82 82 GLY HA2 H 1 3.44 0.03 . 2 . . . . . . . . 4857 1 986 . 1 1 82 82 GLY HA3 H 1 3.32 0.03 . 2 . . . . . . . . 4857 1 987 . 1 1 82 82 GLY CA C 13 47.00 0.50 . 1 . . . . . . . . 4857 1 988 . 1 1 82 82 GLY C C 13 172.91 0.50 . 1 . . . . . . . . 4857 1 989 . 1 1 82 82 GLY N N 15 106.65 0.25 . 1 . . . . . . . . 4857 1 990 . 1 1 83 83 GLN H H 1 8.62 0.03 . 1 . . . . . . . . 4857 1 991 . 1 1 83 83 GLN HA H 1 4.04 0.03 . 1 . . . . . . . . 4857 1 992 . 1 1 83 83 GLN HB2 H 1 2.25 0.03 . 2 . . . . . . . . 4857 1 993 . 1 1 83 83 GLN HB3 H 1 2.04 0.03 . 2 . . . . . . . . 4857 1 994 . 1 1 83 83 GLN CA C 13 57.65 0.50 . 1 . . . . . . . . 4857 1 995 . 1 1 83 83 GLN CB C 13 27.02 0.50 . 1 . . . . . . . . 4857 1 996 . 1 1 83 83 GLN C C 13 177.04 0.50 . 1 . . . . . . . . 4857 1 997 . 1 1 83 83 GLN CG C 13 31.86 0.50 . 1 . . . . . . . . 4857 1 998 . 1 1 83 83 GLN N N 15 121.13 0.25 . 1 . . . . . . . . 4857 1 999 . 1 1 84 84 GLN H H 1 7.69 0.03 . 1 . . . . . . . . 4857 1 1000 . 1 1 84 84 GLN HA H 1 3.73 0.03 . 1 . . . . . . . . 4857 1 1001 . 1 1 84 84 GLN HB2 H 1 1.15 0.03 . 2 . . . . . . . . 4857 1 1002 . 1 1 84 84 GLN HG2 H 1 2.15 0.03 . 2 . . . . . . . . 4857 1 1003 . 1 1 84 84 GLN HG3 H 1 1.83 0.03 . 2 . . . . . . . . 4857 1 1004 . 1 1 84 84 GLN CA C 13 58.31 0.50 . 1 . . . . . . . . 4857 1 1005 . 1 1 84 84 GLN CB C 13 25.69 0.50 . 1 . . . . . . . . 4857 1 1006 . 1 1 84 84 GLN C C 13 177.24 0.50 . 1 . . . . . . . . 4857 1 1007 . 1 1 84 84 GLN CG C 13 34.19 0.50 . 1 . . . . . . . . 4857 1 1008 . 1 1 84 84 GLN N N 15 120.19 0.25 . 1 . . . . . . . . 4857 1 1009 . 1 1 85 85 ILE H H 1 8.31 0.03 . 1 . . . . . . . . 4857 1 1010 . 1 1 85 85 ILE HA H 1 3.98 0.03 . 1 . . . . . . . . 4857 1 1011 . 1 1 85 85 ILE HB H 1 1.94 0.03 . 1 . . . . . . . . 4857 1 1012 . 1 1 85 85 ILE HG21 H 1 1.04 0.03 . 1 . . . . . . . . 4857 1 1013 . 1 1 85 85 ILE HG22 H 1 1.04 0.03 . 1 . . . . . . . . 4857 1 1014 . 1 1 85 85 ILE HG23 H 1 1.04 0.03 . 1 . . . . . . . . 4857 1 1015 . 1 1 85 85 ILE HD11 H 1 0.80 0.03 . 1 . . . . . . . . 4857 1 1016 . 1 1 85 85 ILE HD12 H 1 0.80 0.03 . 1 . . . . . . . . 4857 1 1017 . 1 1 85 85 ILE HD13 H 1 0.80 0.03 . 1 . . . . . . . . 4857 1 1018 . 1 1 85 85 ILE CA C 13 65.57 0.50 . 1 . . . . . . . . 4857 1 1019 . 1 1 85 85 ILE CB C 13 37.88 0.50 . 1 . . . . . . . . 4857 1 1020 . 1 1 85 85 ILE C C 13 175.81 0.50 . 1 . . . . . . . . 4857 1 1021 . 1 1 85 85 ILE CG1 C 13 30.65 0.50 . 1 . . . . . . . . 4857 1 1022 . 1 1 85 85 ILE CG2 C 13 18.86 0.50 . 1 . . . . . . . . 4857 1 1023 . 1 1 85 85 ILE CD1 C 13 13.91 0.50 . 1 . . . . . . . . 4857 1 1024 . 1 1 85 85 ILE N N 15 119.58 0.25 . 1 . . . . . . . . 4857 1 1025 . 1 1 86 86 GLN H H 1 8.07 0.03 . 1 . . . . . . . . 4857 1 1026 . 1 1 86 86 GLN HA H 1 5.01 0.03 . 1 . . . . . . . . 4857 1 1027 . 1 1 86 86 GLN HB2 H 1 2.67 0.03 . 2 . . . . . . . . 4857 1 1028 . 1 1 86 86 GLN HB3 H 1 1.97 0.03 . 2 . . . . . . . . 4857 1 1029 . 1 1 86 86 GLN HG2 H 1 2.49 0.03 . 1 . . . . . . . . 4857 1 1030 . 1 1 86 86 GLN HG3 H 1 2.49 0.03 . 1 . . . . . . . . 4857 1 1031 . 1 1 86 86 GLN HE21 H 1 6.91 0.03 . 2 . . . . . . . . 4857 1 1032 . 1 1 86 86 GLN HE22 H 1 7.12 0.03 . 2 . . . . . . . . 4857 1 1033 . 1 1 86 86 GLN CA C 13 55.27 0.50 . 1 . . . . . . . . 4857 1 1034 . 1 1 86 86 GLN CB C 13 27.79 0.50 . 1 . . . . . . . . 4857 1 1035 . 1 1 86 86 GLN C C 13 173.16 0.50 . 1 . . . . . . . . 4857 1 1036 . 1 1 86 86 GLN CG C 13 33.63 0.50 . 1 . . . . . . . . 4857 1 1037 . 1 1 86 86 GLN N N 15 112.98 0.25 . 1 . . . . . . . . 4857 1 1038 . 1 1 86 86 GLN NE2 N 15 110.13 0.25 . 1 . . . . . . . . 4857 1 1039 . 1 1 87 87 SER H H 1 7.57 0.03 . 1 . . . . . . . . 4857 1 1040 . 1 1 87 87 SER HA H 1 5.07 0.03 . 1 . . . . . . . . 4857 1 1041 . 1 1 87 87 SER HB2 H 1 4.03 0.03 . 2 . . . . . . . . 4857 1 1042 . 1 1 87 87 SER HB3 H 1 4.30 0.03 . 2 . . . . . . . . 4857 1 1043 . 1 1 87 87 SER CA C 13 55.24 0.50 . 1 . . . . . . . . 4857 1 1044 . 1 1 87 87 SER CB C 13 63.15 0.50 . 1 . . . . . . . . 4857 1 1045 . 1 1 87 87 SER C C 13 170.92 0.50 . 1 . . . . . . . . 4857 1 1046 . 1 1 87 87 SER N N 15 117.59 0.25 . 1 . . . . . . . . 4857 1 1047 . 1 1 88 88 PRO HA H 1 2.85 0.03 . 1 . . . . . . . . 4857 1 1048 . 1 1 88 88 PRO HB2 H 1 1.27 0.03 . 2 . . . . . . . . 4857 1 1049 . 1 1 88 88 PRO HB3 H 1 0.36 0.03 . 2 . . . . . . . . 4857 1 1050 . 1 1 88 88 PRO HG2 H 1 1.53 0.03 . 1 . . . . . . . . 4857 1 1051 . 1 1 88 88 PRO HG3 H 1 1.53 0.03 . 1 . . . . . . . . 4857 1 1052 . 1 1 88 88 PRO HD2 H 1 3.64 0.03 . 1 . . . . . . . . 4857 1 1053 . 1 1 88 88 PRO HD3 H 1 3.64 0.03 . 1 . . . . . . . . 4857 1 1054 . 1 1 88 88 PRO CA C 13 61.85 0.50 . 1 . . . . . . . . 4857 1 1055 . 1 1 88 88 PRO CB C 13 29.63 0.50 . 1 . . . . . . . . 4857 1 1056 . 1 1 88 88 PRO C C 13 174.76 0.50 . 1 . . . . . . . . 4857 1 1057 . 1 1 88 88 PRO CG C 13 25.73 0.50 . 1 . . . . . . . . 4857 1 1058 . 1 1 88 88 PRO CD C 13 49.56 0.50 . 1 . . . . . . . . 4857 1 1059 . 1 1 89 89 ASP H H 1 8.37 0.03 . 1 . . . . . . . . 4857 1 1060 . 1 1 89 89 ASP HA H 1 4.51 0.03 . 1 . . . . . . . . 4857 1 1061 . 1 1 89 89 ASP HB2 H 1 2.64 0.03 . 1 . . . . . . . . 4857 1 1062 . 1 1 89 89 ASP HB3 H 1 2.64 0.03 . 1 . . . . . . . . 4857 1 1063 . 1 1 89 89 ASP CA C 13 53.19 0.50 . 1 . . . . . . . . 4857 1 1064 . 1 1 89 89 ASP CB C 13 39.41 0.50 . 1 . . . . . . . . 4857 1 1065 . 1 1 89 89 ASP C C 13 176.37 0.50 . 1 . . . . . . . . 4857 1 1066 . 1 1 89 89 ASP N N 15 116.89 0.25 . 1 . . . . . . . . 4857 1 1067 . 1 1 90 90 LEU H H 1 7.92 0.03 . 1 . . . . . . . . 4857 1 1068 . 1 1 90 90 LEU HA H 1 4.58 0.03 . 1 . . . . . . . . 4857 1 1069 . 1 1 90 90 LEU HB2 H 1 2.20 0.03 . 2 . . . . . . . . 4857 1 1070 . 1 1 90 90 LEU HB3 H 1 1.80 0.03 . 2 . . . . . . . . 4857 1 1071 . 1 1 90 90 LEU HG H 1 2.17 0.03 . 1 . . . . . . . . 4857 1 1072 . 1 1 90 90 LEU HD11 H 1 1.30 0.03 . 1 . . . . . . . . 4857 1 1073 . 1 1 90 90 LEU HD12 H 1 1.30 0.03 . 1 . . . . . . . . 4857 1 1074 . 1 1 90 90 LEU HD13 H 1 1.30 0.03 . 1 . . . . . . . . 4857 1 1075 . 1 1 90 90 LEU HD21 H 1 1.10 0.03 . 1 . . . . . . . . 4857 1 1076 . 1 1 90 90 LEU HD22 H 1 1.10 0.03 . 1 . . . . . . . . 4857 1 1077 . 1 1 90 90 LEU HD23 H 1 1.10 0.03 . 1 . . . . . . . . 4857 1 1078 . 1 1 90 90 LEU CA C 13 53.22 0.50 . 1 . . . . . . . . 4857 1 1079 . 1 1 90 90 LEU CB C 13 40.96 0.50 . 1 . . . . . . . . 4857 1 1080 . 1 1 90 90 LEU C C 13 175.39 0.50 . 1 . . . . . . . . 4857 1 1081 . 1 1 90 90 LEU CG C 13 26.46 0.50 . 1 . . . . . . . . 4857 1 1082 . 1 1 90 90 LEU CD1 C 13 26.06 0.50 . 1 . . . . . . . . 4857 1 1083 . 1 1 90 90 LEU CD2 C 13 22.10 0.50 . 1 . . . . . . . . 4857 1 1084 . 1 1 90 90 LEU N N 15 124.04 0.25 . 1 . . . . . . . . 4857 1 1085 . 1 1 91 91 PRO HA H 1 4.43 0.03 . 1 . . . . . . . . 4857 1 1086 . 1 1 91 91 PRO HB2 H 1 2.43 0.03 . 2 . . . . . . . . 4857 1 1087 . 1 1 91 91 PRO HB3 H 1 2.02 0.03 . 2 . . . . . . . . 4857 1 1088 . 1 1 91 91 PRO HG2 H 1 2.09 0.03 . 2 . . . . . . . . 4857 1 1089 . 1 1 91 91 PRO HG3 H 1 2.21 0.03 . 2 . . . . . . . . 4857 1 1090 . 1 1 91 91 PRO HD2 H 1 3.86 0.03 . 2 . . . . . . . . 4857 1 1091 . 1 1 91 91 PRO HD3 H 1 4.10 0.03 . 2 . . . . . . . . 4857 1 1092 . 1 1 91 91 PRO CA C 13 63.77 0.50 . 1 . . . . . . . . 4857 1 1093 . 1 1 91 91 PRO CB C 13 30.85 0.50 . 1 . . . . . . . . 4857 1 1094 . 1 1 91 91 PRO C C 13 176.74 0.50 . 1 . . . . . . . . 4857 1 1095 . 1 1 91 91 PRO CG C 13 26.89 0.50 . 1 . . . . . . . . 4857 1 1096 . 1 1 91 91 PRO CD C 13 49.70 0.50 . 1 . . . . . . . . 4857 1 1097 . 1 1 92 92 ALA H H 1 8.70 0.03 . 1 . . . . . . . . 4857 1 1098 . 1 1 92 92 ALA HA H 1 4.39 0.03 . 1 . . . . . . . . 4857 1 1099 . 1 1 92 92 ALA HB1 H 1 1.56 0.03 . 1 . . . . . . . . 4857 1 1100 . 1 1 92 92 ALA HB2 H 1 1.56 0.03 . 1 . . . . . . . . 4857 1 1101 . 1 1 92 92 ALA HB3 H 1 1.56 0.03 . 1 . . . . . . . . 4857 1 1102 . 1 1 92 92 ALA CA C 13 52.23 0.50 . 1 . . . . . . . . 4857 1 1103 . 1 1 92 92 ALA CB C 13 17.40 0.50 . 1 . . . . . . . . 4857 1 1104 . 1 1 92 92 ALA C C 13 177.03 0.50 . 1 . . . . . . . . 4857 1 1105 . 1 1 92 92 ALA N N 15 120.34 0.25 . 1 . . . . . . . . 4857 1 1106 . 1 1 93 93 TRP H H 1 8.02 0.03 . 1 . . . . . . . . 4857 1 1107 . 1 1 93 93 TRP HA H 1 3.95 0.03 . 1 . . . . . . . . 4857 1 1108 . 1 1 93 93 TRP HB2 H 1 3.72 0.03 . 2 . . . . . . . . 4857 1 1109 . 1 1 93 93 TRP HB3 H 1 3.42 0.03 . 2 . . . . . . . . 4857 1 1110 . 1 1 93 93 TRP HD1 H 1 7.70 0.03 . 1 . . . . . . . . 4857 1 1111 . 1 1 93 93 TRP HE3 H 1 7.15 0.03 . 1 . . . . . . . . 4857 1 1112 . 1 1 93 93 TRP HZ2 H 1 7.81 0.03 . 1 . . . . . . . . 4857 1 1113 . 1 1 93 93 TRP HZ3 H 1 7.47 0.03 . 1 . . . . . . . . 4857 1 1114 . 1 1 93 93 TRP HH2 H 1 7.10 0.03 . 1 . . . . . . . . 4857 1 1115 . 1 1 93 93 TRP HE1 H 1 10.42 0.03 . 1 . . . . . . . . 4857 1 1116 . 1 1 93 93 TRP CA C 13 63.18 0.50 . 1 . . . . . . . . 4857 1 1117 . 1 1 93 93 TRP CB C 13 29.56 0.50 . 1 . . . . . . . . 4857 1 1118 . 1 1 93 93 TRP C C 13 176.92 0.50 . 1 . . . . . . . . 4857 1 1119 . 1 1 93 93 TRP N N 15 121.13 0.25 . 1 . . . . . . . . 4857 1 1120 . 1 1 93 93 TRP NE1 N 15 129.99 0.25 . 1 . . . . . . . . 4857 1 1121 . 1 1 94 94 GLU H H 1 9.21 0.03 . 1 . . . . . . . . 4857 1 1122 . 1 1 94 94 GLU HA H 1 3.77 0.03 . 1 . . . . . . . . 4857 1 1123 . 1 1 94 94 GLU HB2 H 1 2.18 0.03 . 1 . . . . . . . . 4857 1 1124 . 1 1 94 94 GLU HB3 H 1 2.18 0.03 . 1 . . . . . . . . 4857 1 1125 . 1 1 94 94 GLU HG2 H 1 2.61 0.03 . 2 . . . . . . . . 4857 1 1126 . 1 1 94 94 GLU HG3 H 1 2.21 0.03 . 2 . . . . . . . . 4857 1 1127 . 1 1 94 94 GLU CA C 13 59.53 0.50 . 1 . . . . . . . . 4857 1 1128 . 1 1 94 94 GLU CB C 13 28.62 0.50 . 1 . . . . . . . . 4857 1 1129 . 1 1 94 94 GLU C C 13 177.41 0.50 . 1 . . . . . . . . 4857 1 1130 . 1 1 94 94 GLU CG C 13 36.24 0.50 . 1 . . . . . . . . 4857 1 1131 . 1 1 94 94 GLU N N 15 115.07 0.25 . 1 . . . . . . . . 4857 1 1132 . 1 1 95 95 ASP H H 1 7.52 0.03 . 1 . . . . . . . . 4857 1 1133 . 1 1 95 95 ASP HA H 1 4.50 0.03 . 1 . . . . . . . . 4857 1 1134 . 1 1 95 95 ASP HB2 H 1 2.52 0.03 . 2 . . . . . . . . 4857 1 1135 . 1 1 95 95 ASP HB3 H 1 2.60 0.03 . 2 . . . . . . . . 4857 1 1136 . 1 1 95 95 ASP CA C 13 54.85 0.50 . 1 . . . . . . . . 4857 1 1137 . 1 1 95 95 ASP CB C 13 40.80 0.50 . 1 . . . . . . . . 4857 1 1138 . 1 1 95 95 ASP C C 13 176.17 0.50 . 1 . . . . . . . . 4857 1 1139 . 1 1 95 95 ASP N N 15 115.86 0.25 . 1 . . . . . . . . 4857 1 1140 . 1 1 96 96 ASN H H 1 7.48 0.03 . 1 . . . . . . . . 4857 1 1141 . 1 1 96 96 ASN HA H 1 4.39 0.03 . 1 . . . . . . . . 4857 1 1142 . 1 1 96 96 ASN HB2 H 1 1.58 0.03 . 2 . . . . . . . . 4857 1 1143 . 1 1 96 96 ASN HB3 H 1 1.38 0.03 . 2 . . . . . . . . 4857 1 1144 . 1 1 96 96 ASN HD21 H 1 6.97 0.03 . 2 . . . . . . . . 4857 1 1145 . 1 1 96 96 ASN HD22 H 1 7.24 0.03 . 2 . . . . . . . . 4857 1 1146 . 1 1 96 96 ASN CA C 13 52.95 0.50 . 1 . . . . . . . . 4857 1 1147 . 1 1 96 96 ASN CB C 13 39.68 0.50 . 1 . . . . . . . . 4857 1 1148 . 1 1 96 96 ASN C C 13 174.53 0.50 . 1 . . . . . . . . 4857 1 1149 . 1 1 96 96 ASN N N 15 116.37 0.25 . 1 . . . . . . . . 4857 1 1150 . 1 1 96 96 ASN ND2 N 15 113.35 0.25 . 1 . . . . . . . . 4857 1 1151 . 1 1 97 97 VAL H H 1 7.89 0.03 . 1 . . . . . . . . 4857 1 1152 . 1 1 97 97 VAL HA H 1 3.49 0.03 . 1 . . . . . . . . 4857 1 1153 . 1 1 97 97 VAL HB H 1 0.73 0.03 . 1 . . . . . . . . 4857 1 1154 . 1 1 97 97 VAL HG11 H 1 0.03 0.03 . 1 . . . . . . . . 4857 1 1155 . 1 1 97 97 VAL HG12 H 1 0.03 0.03 . 1 . . . . . . . . 4857 1 1156 . 1 1 97 97 VAL HG13 H 1 0.03 0.03 . 1 . . . . . . . . 4857 1 1157 . 1 1 97 97 VAL HG21 H 1 0.79 0.03 . 1 . . . . . . . . 4857 1 1158 . 1 1 97 97 VAL HG22 H 1 0.79 0.03 . 1 . . . . . . . . 4857 1 1159 . 1 1 97 97 VAL HG23 H 1 0.79 0.03 . 1 . . . . . . . . 4857 1 1160 . 1 1 97 97 VAL CA C 13 64.59 0.50 . 1 . . . . . . . . 4857 1 1161 . 1 1 97 97 VAL CB C 13 28.53 0.50 . 1 . . . . . . . . 4857 1 1162 . 1 1 97 97 VAL C C 13 175.19 0.50 . 1 . . . . . . . . 4857 1 1163 . 1 1 97 97 VAL CG1 C 13 17.31 0.50 . 1 . . . . . . . . 4857 1 1164 . 1 1 97 97 VAL CG2 C 13 21.84 0.50 . 1 . . . . . . . . 4857 1 1165 . 1 1 97 97 VAL N N 15 121.55 0.25 . 1 . . . . . . . . 4857 1 1166 . 1 1 98 98 GLY H H 1 8.20 0.03 . 1 . . . . . . . . 4857 1 1167 . 1 1 98 98 GLY HA2 H 1 3.65 0.03 . 2 . . . . . . . . 4857 1 1168 . 1 1 98 98 GLY HA3 H 1 3.76 0.03 . 2 . . . . . . . . 4857 1 1169 . 1 1 98 98 GLY CA C 13 46.63 0.50 . 1 . . . . . . . . 4857 1 1170 . 1 1 98 98 GLY C C 13 175.58 0.50 . 1 . . . . . . . . 4857 1 1171 . 1 1 98 98 GLY N N 15 108.85 0.25 . 1 . . . . . . . . 4857 1 1172 . 1 1 99 99 GLU H H 1 7.39 0.03 . 1 . . . . . . . . 4857 1 1173 . 1 1 99 99 GLU HA H 1 4.14 0.03 . 1 . . . . . . . . 4857 1 1174 . 1 1 99 99 GLU HB2 H 1 2.00 0.03 . 1 . . . . . . . . 4857 1 1175 . 1 1 99 99 GLU HB3 H 1 2.00 0.03 . 1 . . . . . . . . 4857 1 1176 . 1 1 99 99 GLU HG2 H 1 2.31 0.03 . 1 . . . . . . . . 4857 1 1177 . 1 1 99 99 GLU HG3 H 1 2.31 0.03 . 1 . . . . . . . . 4857 1 1178 . 1 1 99 99 GLU CA C 13 58.10 0.50 . 1 . . . . . . . . 4857 1 1179 . 1 1 99 99 GLU CB C 13 27.96 0.50 . 1 . . . . . . . . 4857 1 1180 . 1 1 99 99 GLU C C 13 179.03 0.50 . 1 . . . . . . . . 4857 1 1181 . 1 1 99 99 GLU CG C 13 35.41 0.50 . 1 . . . . . . . . 4857 1 1182 . 1 1 99 99 GLU N N 15 123.17 0.25 . 1 . . . . . . . . 4857 1 1183 . 1 1 100 100 TRP H H 1 7.79 0.03 . 1 . . . . . . . . 4857 1 1184 . 1 1 100 100 TRP HA H 1 4.74 0.03 . 1 . . . . . . . . 4857 1 1185 . 1 1 100 100 TRP HB2 H 1 3.50 0.03 . 2 . . . . . . . . 4857 1 1186 . 1 1 100 100 TRP HB3 H 1 3.04 0.03 . 2 . . . . . . . . 4857 1 1187 . 1 1 100 100 TRP HD1 H 1 7.30 0.03 . 1 . . . . . . . . 4857 1 1188 . 1 1 100 100 TRP HE3 H 1 7.32 0.03 . 1 . . . . . . . . 4857 1 1189 . 1 1 100 100 TRP HZ2 H 1 7.42 0.03 . 1 . . . . . . . . 4857 1 1190 . 1 1 100 100 TRP HZ3 H 1 7.49 0.03 . 1 . . . . . . . . 4857 1 1191 . 1 1 100 100 TRP HH2 H 1 7.06 0.03 . 1 . . . . . . . . 4857 1 1192 . 1 1 100 100 TRP HE1 H 1 10.14 0.03 . 1 . . . . . . . . 4857 1 1193 . 1 1 100 100 TRP CA C 13 57.72 0.50 . 1 . . . . . . . . 4857 1 1194 . 1 1 100 100 TRP CB C 13 27.96 0.50 . 1 . . . . . . . . 4857 1 1195 . 1 1 100 100 TRP C C 13 178.03 0.50 . 1 . . . . . . . . 4857 1 1196 . 1 1 100 100 TRP N N 15 122.73 0.25 . 1 . . . . . . . . 4857 1 1197 . 1 1 100 100 TRP NE1 N 15 130.24 0.25 . 1 . . . . . . . . 4857 1 1198 . 1 1 101 101 ILE H H 1 8.43 0.03 . 1 . . . . . . . . 4857 1 1199 . 1 1 101 101 ILE HA H 1 3.59 0.03 . 1 . . . . . . . . 4857 1 1200 . 1 1 101 101 ILE HB H 1 2.01 0.03 . 1 . . . . . . . . 4857 1 1201 . 1 1 101 101 ILE HG12 H 1 2.04 0.03 . 1 . . . . . . . . 4857 1 1202 . 1 1 101 101 ILE HG13 H 1 2.04 0.03 . 1 . . . . . . . . 4857 1 1203 . 1 1 101 101 ILE HG21 H 1 0.94 0.03 . 1 . . . . . . . . 4857 1 1204 . 1 1 101 101 ILE HG22 H 1 0.94 0.03 . 1 . . . . . . . . 4857 1 1205 . 1 1 101 101 ILE HG23 H 1 0.94 0.03 . 1 . . . . . . . . 4857 1 1206 . 1 1 101 101 ILE CA C 13 65.80 0.50 . 1 . . . . . . . . 4857 1 1207 . 1 1 101 101 ILE CB C 13 38.16 0.50 . 1 . . . . . . . . 4857 1 1208 . 1 1 101 101 ILE C C 13 176.25 0.50 . 1 . . . . . . . . 4857 1 1209 . 1 1 101 101 ILE CG1 C 13 29.66 0.50 . 1 . . . . . . . . 4857 1 1210 . 1 1 101 101 ILE CG2 C 13 15.19 0.50 . 1 . . . . . . . . 4857 1 1211 . 1 1 101 101 ILE N N 15 119.75 0.25 . 1 . . . . . . . . 4857 1 1212 . 1 1 102 102 GLU H H 1 8.09 0.03 . 1 . . . . . . . . 4857 1 1213 . 1 1 102 102 GLU HA H 1 4.11 0.03 . 1 . . . . . . . . 4857 1 1214 . 1 1 102 102 GLU HB2 H 1 2.18 0.03 . 1 . . . . . . . . 4857 1 1215 . 1 1 102 102 GLU HB3 H 1 2.18 0.03 . 1 . . . . . . . . 4857 1 1216 . 1 1 102 102 GLU HG2 H 1 2.44 0.03 . 1 . . . . . . . . 4857 1 1217 . 1 1 102 102 GLU HG3 H 1 2.44 0.03 . 1 . . . . . . . . 4857 1 1218 . 1 1 102 102 GLU CA C 13 58.89 0.50 . 1 . . . . . . . . 4857 1 1219 . 1 1 102 102 GLU CB C 13 28.16 0.50 . 1 . . . . . . . . 4857 1 1220 . 1 1 102 102 GLU C C 13 177.52 0.50 . 1 . . . . . . . . 4857 1 1221 . 1 1 102 102 GLU CG C 13 34.42 0.50 . 1 . . . . . . . . 4857 1 1222 . 1 1 102 102 GLU N N 15 120.88 0.25 . 1 . . . . . . . . 4857 1 1223 . 1 1 103 103 GLU H H 1 8.45 0.03 . 1 . . . . . . . . 4857 1 1224 . 1 1 103 103 GLU HA H 1 4.17 0.03 . 1 . . . . . . . . 4857 1 1225 . 1 1 103 103 GLU HB2 H 1 2.36 0.03 . 1 . . . . . . . . 4857 1 1226 . 1 1 103 103 GLU HB3 H 1 2.36 0.03 . 1 . . . . . . . . 4857 1 1227 . 1 1 103 103 GLU HG2 H 1 2.67 0.03 . 2 . . . . . . . . 4857 1 1228 . 1 1 103 103 GLU HG3 H 1 2.13 0.03 . 2 . . . . . . . . 4857 1 1229 . 1 1 103 103 GLU CA C 13 59.12 0.50 . 1 . . . . . . . . 4857 1 1230 . 1 1 103 103 GLU CB C 13 28.61 0.50 . 1 . . . . . . . . 4857 1 1231 . 1 1 103 103 GLU C C 13 177.38 0.50 . 1 . . . . . . . . 4857 1 1232 . 1 1 103 103 GLU CG C 13 36.43 0.50 . 1 . . . . . . . . 4857 1 1233 . 1 1 103 103 GLU N N 15 120.81 0.25 . 1 . . . . . . . . 4857 1 1234 . 1 1 104 104 MET H H 1 8.25 0.03 . 1 . . . . . . . . 4857 1 1235 . 1 1 104 104 MET HA H 1 3.80 0.03 . 1 . . . . . . . . 4857 1 1236 . 1 1 104 104 MET HB2 H 1 2.52 0.03 . 2 . . . . . . . . 4857 1 1237 . 1 1 104 104 MET HB3 H 1 2.19 0.03 . 2 . . . . . . . . 4857 1 1238 . 1 1 104 104 MET HG2 H 1 2.29 0.03 . 1 . . . . . . . . 4857 1 1239 . 1 1 104 104 MET HG3 H 1 2.29 0.03 . 1 . . . . . . . . 4857 1 1240 . 1 1 104 104 MET HE1 H 1 1.90 0.03 . 1 . . . . . . . . 4857 1 1241 . 1 1 104 104 MET HE2 H 1 1.90 0.03 . 1 . . . . . . . . 4857 1 1242 . 1 1 104 104 MET HE3 H 1 1.90 0.03 . 1 . . . . . . . . 4857 1 1243 . 1 1 104 104 MET CA C 13 58.53 0.50 . 1 . . . . . . . . 4857 1 1244 . 1 1 104 104 MET CB C 13 31.79 0.50 . 1 . . . . . . . . 4857 1 1245 . 1 1 104 104 MET C C 13 177.10 0.50 . 1 . . . . . . . . 4857 1 1246 . 1 1 104 104 MET CE C 13 17.56 0.50 . 1 . . . . . . . . 4857 1 1247 . 1 1 104 104 MET N N 15 118.89 0.25 . 1 . . . . . . . . 4857 1 1248 . 1 1 105 105 LYS H H 1 8.67 0.03 . 1 . . . . . . . . 4857 1 1249 . 1 1 105 105 LYS HA H 1 4.15 0.03 . 1 . . . . . . . . 4857 1 1250 . 1 1 105 105 LYS HB2 H 1 2.22 0.03 . 2 . . . . . . . . 4857 1 1251 . 1 1 105 105 LYS HB3 H 1 1.92 0.03 . 2 . . . . . . . . 4857 1 1252 . 1 1 105 105 LYS HG2 H 1 1.69 0.03 . 1 . . . . . . . . 4857 1 1253 . 1 1 105 105 LYS HG3 H 1 1.69 0.03 . 1 . . . . . . . . 4857 1 1254 . 1 1 105 105 LYS HD2 H 1 1.95 0.03 . 1 . . . . . . . . 4857 1 1255 . 1 1 105 105 LYS HD3 H 1 1.95 0.03 . 1 . . . . . . . . 4857 1 1256 . 1 1 105 105 LYS HE2 H 1 3.04 0.03 . 1 . . . . . . . . 4857 1 1257 . 1 1 105 105 LYS HE3 H 1 3.04 0.03 . 1 . . . . . . . . 4857 1 1258 . 1 1 105 105 LYS CA C 13 59.67 0.50 . 1 . . . . . . . . 4857 1 1259 . 1 1 105 105 LYS CB C 13 32.34 0.50 . 1 . . . . . . . . 4857 1 1260 . 1 1 105 105 LYS C C 13 178.10 0.50 . 1 . . . . . . . . 4857 1 1261 . 1 1 105 105 LYS CG C 13 24.08 0.50 . 1 . . . . . . . . 4857 1 1262 . 1 1 105 105 LYS CD C 13 29.39 0.50 . 1 . . . . . . . . 4857 1 1263 . 1 1 105 105 LYS CE C 13 41.06 0.50 . 1 . . . . . . . . 4857 1 1264 . 1 1 105 105 LYS N N 15 118.04 0.25 . 1 . . . . . . . . 4857 1 1265 . 1 1 106 106 GLU H H 1 8.65 0.03 . 1 . . . . . . . . 4857 1 1266 . 1 1 106 106 GLU HA H 1 4.27 0.03 . 1 . . . . . . . . 4857 1 1267 . 1 1 106 106 GLU HB2 H 1 2.23 0.03 . 1 . . . . . . . . 4857 1 1268 . 1 1 106 106 GLU HB3 H 1 2.23 0.03 . 1 . . . . . . . . 4857 1 1269 . 1 1 106 106 GLU HG2 H 1 2.58 0.03 . 2 . . . . . . . . 4857 1 1270 . 1 1 106 106 GLU HG3 H 1 2.48 0.03 . 2 . . . . . . . . 4857 1 1271 . 1 1 106 106 GLU CA C 13 57.41 0.50 . 1 . . . . . . . . 4857 1 1272 . 1 1 106 106 GLU CB C 13 29.89 0.50 . 1 . . . . . . . . 4857 1 1273 . 1 1 106 106 GLU C C 13 178.73 0.50 . 1 . . . . . . . . 4857 1 1274 . 1 1 106 106 GLU CG C 13 35.46 0.50 . 1 . . . . . . . . 4857 1 1275 . 1 1 106 106 GLU N N 15 116.91 0.25 . 1 . . . . . . . . 4857 1 1276 . 1 1 107 107 GLU H H 1 8.48 0.03 . 1 . . . . . . . . 4857 1 1277 . 1 1 107 107 GLU HA H 1 4.73 0.03 . 1 . . . . . . . . 4857 1 1278 . 1 1 107 107 GLU HB2 H 1 2.01 0.03 . 2 . . . . . . . . 4857 1 1279 . 1 1 107 107 GLU HB3 H 1 2.60 0.03 . 2 . . . . . . . . 4857 1 1280 . 1 1 107 107 GLU HG2 H 1 2.60 0.03 . 1 . . . . . . . . 4857 1 1281 . 1 1 107 107 GLU HG3 H 1 2.60 0.03 . 1 . . . . . . . . 4857 1 1282 . 1 1 107 107 GLU CA C 13 56.20 0.50 . 1 . . . . . . . . 4857 1 1283 . 1 1 107 107 GLU CB C 13 30.62 0.50 . 1 . . . . . . . . 4857 1 1284 . 1 1 107 107 GLU C C 13 178.13 0.50 . 1 . . . . . . . . 4857 1 1285 . 1 1 107 107 GLU CG C 13 35.44 0.50 . 1 . . . . . . . . 4857 1 1286 . 1 1 107 107 GLU N N 15 114.16 0.25 . 1 . . . . . . . . 4857 1 1287 . 1 1 108 108 TRP H H 1 8.22 0.03 . 1 . . . . . . . . 4857 1 1288 . 1 1 108 108 TRP HA H 1 4.58 0.03 . 1 . . . . . . . . 4857 1 1289 . 1 1 108 108 TRP HB2 H 1 3.48 0.03 . 1 . . . . . . . . 4857 1 1290 . 1 1 108 108 TRP HB3 H 1 3.48 0.03 . 1 . . . . . . . . 4857 1 1291 . 1 1 108 108 TRP HD1 H 1 8.14 0.03 . 1 . . . . . . . . 4857 1 1292 . 1 1 108 108 TRP HE3 H 1 7.12 0.03 . 1 . . . . . . . . 4857 1 1293 . 1 1 108 108 TRP HZ2 H 1 7.49 0.03 . 1 . . . . . . . . 4857 1 1294 . 1 1 108 108 TRP HZ3 H 1 7.17 0.03 . 1 . . . . . . . . 4857 1 1295 . 1 1 108 108 TRP HE1 H 1 10.58 0.03 . 1 . . . . . . . . 4857 1 1296 . 1 1 108 108 TRP CA C 13 61.63 0.50 . 1 . . . . . . . . 4857 1 1297 . 1 1 108 108 TRP CB C 13 27.13 0.50 . 1 . . . . . . . . 4857 1 1298 . 1 1 108 108 TRP C C 13 176.66 0.50 . 1 . . . . . . . . 4857 1 1299 . 1 1 108 108 TRP N N 15 119.37 0.25 . 1 . . . . . . . . 4857 1 1300 . 1 1 108 108 TRP NE1 N 15 129.97 0.25 . 1 . . . . . . . . 4857 1 1301 . 1 1 109 109 ARG H H 1 7.39 0.03 . 1 . . . . . . . . 4857 1 1302 . 1 1 109 109 ARG HA H 1 3.42 0.03 . 1 . . . . . . . . 4857 1 1303 . 1 1 109 109 ARG HB2 H 1 1.03 0.03 . 2 . . . . . . . . 4857 1 1304 . 1 1 109 109 ARG HB3 H 1 1.28 0.03 . 2 . . . . . . . . 4857 1 1305 . 1 1 109 109 ARG HD2 H 1 2.75 0.03 . 1 . . . . . . . . 4857 1 1306 . 1 1 109 109 ARG HD3 H 1 2.75 0.03 . 1 . . . . . . . . 4857 1 1307 . 1 1 109 109 ARG CA C 13 59.50 0.50 . 1 . . . . . . . . 4857 1 1308 . 1 1 109 109 ARG CB C 13 27.89 0.50 . 1 . . . . . . . . 4857 1 1309 . 1 1 109 109 ARG C C 13 178.62 0.50 . 1 . . . . . . . . 4857 1 1310 . 1 1 109 109 ARG CG C 13 26.21 0.50 . 1 . . . . . . . . 4857 1 1311 . 1 1 109 109 ARG CD C 13 42.30 0.50 . 1 . . . . . . . . 4857 1 1312 . 1 1 109 109 ARG N N 15 119.93 0.25 . 1 . . . . . . . . 4857 1 1313 . 1 1 110 110 HIS H H 1 7.91 0.03 . 1 . . . . . . . . 4857 1 1314 . 1 1 110 110 HIS HA H 1 4.45 0.03 . 1 . . . . . . . . 4857 1 1315 . 1 1 110 110 HIS HB2 H 1 3.51 0.03 . 2 . . . . . . . . 4857 1 1316 . 1 1 110 110 HIS HB3 H 1 3.64 0.03 . 2 . . . . . . . . 4857 1 1317 . 1 1 110 110 HIS HD2 H 1 7.40 0.03 . 1 . . . . . . . . 4857 1 1318 . 1 1 110 110 HIS HE1 H 1 8.38 0.03 . 1 . . . . . . . . 4857 1 1319 . 1 1 110 110 HIS CA C 13 57.79 0.50 . 1 . . . . . . . . 4857 1 1320 . 1 1 110 110 HIS CB C 13 27.10 0.50 . 1 . . . . . . . . 4857 1 1321 . 1 1 110 110 HIS C C 13 176.20 0.50 . 1 . . . . . . . . 4857 1 1322 . 1 1 110 110 HIS N N 15 120.92 0.25 . 1 . . . . . . . . 4857 1 1323 . 1 1 110 110 HIS ND1 N 15 181.87 0.25 . 1 . . . . . . . . 4857 1 1324 . 1 1 110 110 HIS NE2 N 15 180.47 0.25 . 1 . . . . . . . . 4857 1 1325 . 1 1 111 111 ASP H H 1 8.65 0.03 . 1 . . . . . . . . 4857 1 1326 . 1 1 111 111 ASP HA H 1 4.08 0.03 . 1 . . . . . . . . 4857 1 1327 . 1 1 111 111 ASP HB2 H 1 3.13 0.03 . 2 . . . . . . . . 4857 1 1328 . 1 1 111 111 ASP HB3 H 1 2.78 0.03 . 2 . . . . . . . . 4857 1 1329 . 1 1 111 111 ASP CA C 13 57.54 0.50 . 1 . . . . . . . . 4857 1 1330 . 1 1 111 111 ASP CB C 13 38.16 0.50 . 1 . . . . . . . . 4857 1 1331 . 1 1 111 111 ASP C C 13 177.12 0.50 . 1 . . . . . . . . 4857 1 1332 . 1 1 111 111 ASP N N 15 122.19 0.25 . 1 . . . . . . . . 4857 1 1333 . 1 1 112 112 VAL H H 1 8.14 0.03 . 1 . . . . . . . . 4857 1 1334 . 1 1 112 112 VAL HA H 1 3.73 0.03 . 1 . . . . . . . . 4857 1 1335 . 1 1 112 112 VAL HB H 1 2.57 0.03 . 1 . . . . . . . . 4857 1 1336 . 1 1 112 112 VAL HG11 H 1 1.25 0.03 . 1 . . . . . . . . 4857 1 1337 . 1 1 112 112 VAL HG12 H 1 1.25 0.03 . 1 . . . . . . . . 4857 1 1338 . 1 1 112 112 VAL HG13 H 1 1.25 0.03 . 1 . . . . . . . . 4857 1 1339 . 1 1 112 112 VAL HG21 H 1 1.69 0.03 . 1 . . . . . . . . 4857 1 1340 . 1 1 112 112 VAL HG22 H 1 1.69 0.03 . 1 . . . . . . . . 4857 1 1341 . 1 1 112 112 VAL HG23 H 1 1.69 0.03 . 1 . . . . . . . . 4857 1 1342 . 1 1 112 112 VAL CA C 13 66.85 0.50 . 1 . . . . . . . . 4857 1 1343 . 1 1 112 112 VAL CB C 13 31.20 0.50 . 1 . . . . . . . . 4857 1 1344 . 1 1 112 112 VAL C C 13 176.73 0.50 . 1 . . . . . . . . 4857 1 1345 . 1 1 112 112 VAL CG1 C 13 21.45 0.50 . 1 . . . . . . . . 4857 1 1346 . 1 1 112 112 VAL CG2 C 13 23.91 0.50 . 1 . . . . . . . . 4857 1 1347 . 1 1 112 112 VAL N N 15 118.28 0.25 . 1 . . . . . . . . 4857 1 1348 . 1 1 113 113 GLU H H 1 7.92 0.03 . 1 . . . . . . . . 4857 1 1349 . 1 1 113 113 GLU HA H 1 4.03 0.03 . 1 . . . . . . . . 4857 1 1350 . 1 1 113 113 GLU HB2 H 1 2.26 0.03 . 1 . . . . . . . . 4857 1 1351 . 1 1 113 113 GLU HB3 H 1 2.26 0.03 . 1 . . . . . . . . 4857 1 1352 . 1 1 113 113 GLU HG2 H 1 2.47 0.03 . 1 . . . . . . . . 4857 1 1353 . 1 1 113 113 GLU HG3 H 1 2.47 0.03 . 1 . . . . . . . . 4857 1 1354 . 1 1 113 113 GLU CA C 13 58.89 0.50 . 1 . . . . . . . . 4857 1 1355 . 1 1 113 113 GLU CB C 13 28.29 0.50 . 1 . . . . . . . . 4857 1 1356 . 1 1 113 113 GLU C C 13 179.31 0.50 . 1 . . . . . . . . 4857 1 1357 . 1 1 113 113 GLU CG C 13 35.60 0.50 . 1 . . . . . . . . 4857 1 1358 . 1 1 113 113 GLU N N 15 120.30 0.25 . 1 . . . . . . . . 4857 1 1359 . 1 1 114 114 VAL H H 1 8.18 0.03 . 1 . . . . . . . . 4857 1 1360 . 1 1 114 114 VAL HA H 1 3.74 0.03 . 1 . . . . . . . . 4857 1 1361 . 1 1 114 114 VAL HB H 1 2.35 0.03 . 1 . . . . . . . . 4857 1 1362 . 1 1 114 114 VAL HG11 H 1 1.00 0.03 . 1 . . . . . . . . 4857 1 1363 . 1 1 114 114 VAL HG12 H 1 1.00 0.03 . 1 . . . . . . . . 4857 1 1364 . 1 1 114 114 VAL HG13 H 1 1.00 0.03 . 1 . . . . . . . . 4857 1 1365 . 1 1 114 114 VAL HG21 H 1 0.83 0.03 . 1 . . . . . . . . 4857 1 1366 . 1 1 114 114 VAL HG22 H 1 0.83 0.03 . 1 . . . . . . . . 4857 1 1367 . 1 1 114 114 VAL HG23 H 1 0.83 0.03 . 1 . . . . . . . . 4857 1 1368 . 1 1 114 114 VAL CA C 13 66.02 0.50 . 1 . . . . . . . . 4857 1 1369 . 1 1 114 114 VAL CB C 13 30.54 0.50 . 1 . . . . . . . . 4857 1 1370 . 1 1 114 114 VAL C C 13 178.24 0.50 . 1 . . . . . . . . 4857 1 1371 . 1 1 114 114 VAL CG1 C 13 20.43 0.50 . 1 . . . . . . . . 4857 1 1372 . 1 1 114 114 VAL CG2 C 13 21.99 0.50 . 1 . . . . . . . . 4857 1 1373 . 1 1 114 114 VAL N N 15 122.85 0.25 . 1 . . . . . . . . 4857 1 1374 . 1 1 115 115 LEU H H 1 8.17 0.03 . 1 . . . . . . . . 4857 1 1375 . 1 1 115 115 LEU HA H 1 4.40 0.03 . 1 . . . . . . . . 4857 1 1376 . 1 1 115 115 LEU HB2 H 1 2.24 0.03 . 2 . . . . . . . . 4857 1 1377 . 1 1 115 115 LEU HB3 H 1 1.65 0.03 . 2 . . . . . . . . 4857 1 1378 . 1 1 115 115 LEU HG H 1 1.68 0.03 . 1 . . . . . . . . 4857 1 1379 . 1 1 115 115 LEU HD11 H 1 1.17 0.03 . 1 . . . . . . . . 4857 1 1380 . 1 1 115 115 LEU HD12 H 1 1.17 0.03 . 1 . . . . . . . . 4857 1 1381 . 1 1 115 115 LEU HD13 H 1 1.17 0.03 . 1 . . . . . . . . 4857 1 1382 . 1 1 115 115 LEU HD21 H 1 1.10 0.03 . 1 . . . . . . . . 4857 1 1383 . 1 1 115 115 LEU HD22 H 1 1.10 0.03 . 1 . . . . . . . . 4857 1 1384 . 1 1 115 115 LEU HD23 H 1 1.10 0.03 . 1 . . . . . . . . 4857 1 1385 . 1 1 115 115 LEU CA C 13 57.99 0.50 . 1 . . . . . . . . 4857 1 1386 . 1 1 115 115 LEU CB C 13 39.92 0.50 . 1 . . . . . . . . 4857 1 1387 . 1 1 115 115 LEU C C 13 177.86 0.50 . 1 . . . . . . . . 4857 1 1388 . 1 1 115 115 LEU CG C 13 26.95 0.50 . 1 . . . . . . . . 4857 1 1389 . 1 1 115 115 LEU CD1 C 13 24.56 0.50 . 1 . . . . . . . . 4857 1 1390 . 1 1 115 115 LEU CD2 C 13 26.80 0.50 . 1 . . . . . . . . 4857 1 1391 . 1 1 115 115 LEU N N 15 123.60 0.25 . 1 . . . . . . . . 4857 1 1392 . 1 1 116 116 LYS H H 1 8.77 0.03 . 1 . . . . . . . . 4857 1 1393 . 1 1 116 116 LYS HA H 1 3.85 0.03 . 1 . . . . . . . . 4857 1 1394 . 1 1 116 116 LYS HB2 H 1 1.97 0.03 . 1 . . . . . . . . 4857 1 1395 . 1 1 116 116 LYS HB3 H 1 1.97 0.03 . 1 . . . . . . . . 4857 1 1396 . 1 1 116 116 LYS HG2 H 1 1.43 0.03 . 1 . . . . . . . . 4857 1 1397 . 1 1 116 116 LYS HG3 H 1 1.43 0.03 . 1 . . . . . . . . 4857 1 1398 . 1 1 116 116 LYS HD2 H 1 1.85 0.03 . 1 . . . . . . . . 4857 1 1399 . 1 1 116 116 LYS HD3 H 1 1.85 0.03 . 1 . . . . . . . . 4857 1 1400 . 1 1 116 116 LYS HE2 H 1 3.03 0.03 . 1 . . . . . . . . 4857 1 1401 . 1 1 116 116 LYS HE3 H 1 3.03 0.03 . 1 . . . . . . . . 4857 1 1402 . 1 1 116 116 LYS CA C 13 60.47 0.50 . 1 . . . . . . . . 4857 1 1403 . 1 1 116 116 LYS CB C 13 32.22 0.50 . 1 . . . . . . . . 4857 1 1404 . 1 1 116 116 LYS C C 13 179.16 0.50 . 1 . . . . . . . . 4857 1 1405 . 1 1 116 116 LYS CG C 13 26.79 0.50 . 1 . . . . . . . . 4857 1 1406 . 1 1 116 116 LYS CD C 13 29.53 0.50 . 1 . . . . . . . . 4857 1 1407 . 1 1 116 116 LYS CE C 13 41.51 0.50 . 1 . . . . . . . . 4857 1 1408 . 1 1 116 116 LYS N N 15 119.33 0.25 . 1 . . . . . . . . 4857 1 1409 . 1 1 117 117 ALA H H 1 8.13 0.03 . 1 . . . . . . . . 4857 1 1410 . 1 1 117 117 ALA HA H 1 4.26 0.03 . 1 . . . . . . . . 4857 1 1411 . 1 1 117 117 ALA HB1 H 1 1.61 0.03 . 1 . . . . . . . . 4857 1 1412 . 1 1 117 117 ALA HB2 H 1 1.61 0.03 . 1 . . . . . . . . 4857 1 1413 . 1 1 117 117 ALA HB3 H 1 1.61 0.03 . 1 . . . . . . . . 4857 1 1414 . 1 1 117 117 ALA CA C 13 54.02 0.50 . 1 . . . . . . . . 4857 1 1415 . 1 1 117 117 ALA CB C 13 17.30 0.50 . 1 . . . . . . . . 4857 1 1416 . 1 1 117 117 ALA C C 13 179.14 0.50 . 1 . . . . . . . . 4857 1 1417 . 1 1 117 117 ALA N N 15 121.66 0.25 . 1 . . . . . . . . 4857 1 1418 . 1 1 118 118 TRP H H 1 8.47 0.03 . 1 . . . . . . . . 4857 1 1419 . 1 1 118 118 TRP HA H 1 4.07 0.03 . 1 . . . . . . . . 4857 1 1420 . 1 1 118 118 TRP HB2 H 1 3.74 0.03 . 2 . . . . . . . . 4857 1 1421 . 1 1 118 118 TRP HB3 H 1 3.31 0.03 . 2 . . . . . . . . 4857 1 1422 . 1 1 118 118 TRP HD1 H 1 7.28 0.03 . 1 . . . . . . . . 4857 1 1423 . 1 1 118 118 TRP HE3 H 1 6.80 0.03 . 1 . . . . . . . . 4857 1 1424 . 1 1 118 118 TRP HZ2 H 1 6.87 0.03 . 1 . . . . . . . . 4857 1 1425 . 1 1 118 118 TRP HZ3 H 1 7.49 0.03 . 1 . . . . . . . . 4857 1 1426 . 1 1 118 118 TRP HE1 H 1 10.26 0.03 . 1 . . . . . . . . 4857 1 1427 . 1 1 118 118 TRP CA C 13 62.30 0.50 . 1 . . . . . . . . 4857 1 1428 . 1 1 118 118 TRP CB C 13 28.65 0.50 . 1 . . . . . . . . 4857 1 1429 . 1 1 118 118 TRP C C 13 178.22 0.50 . 1 . . . . . . . . 4857 1 1430 . 1 1 118 118 TRP N N 15 122.83 0.25 . 1 . . . . . . . . 4857 1 1431 . 1 1 118 118 TRP NE1 N 15 129.92 0.25 . 1 . . . . . . . . 4857 1 1432 . 1 1 119 119 VAL H H 1 8.98 0.03 . 1 . . . . . . . . 4857 1 1433 . 1 1 119 119 VAL HA H 1 3.38 0.03 . 1 . . . . . . . . 4857 1 1434 . 1 1 119 119 VAL HB H 1 2.29 0.03 . 1 . . . . . . . . 4857 1 1435 . 1 1 119 119 VAL HG11 H 1 1.04 0.03 . 1 . . . . . . . . 4857 1 1436 . 1 1 119 119 VAL HG12 H 1 1.04 0.03 . 1 . . . . . . . . 4857 1 1437 . 1 1 119 119 VAL HG13 H 1 1.04 0.03 . 1 . . . . . . . . 4857 1 1438 . 1 1 119 119 VAL HG21 H 1 1.38 0.03 . 1 . . . . . . . . 4857 1 1439 . 1 1 119 119 VAL HG22 H 1 1.38 0.03 . 1 . . . . . . . . 4857 1 1440 . 1 1 119 119 VAL HG23 H 1 1.38 0.03 . 1 . . . . . . . . 4857 1 1441 . 1 1 119 119 VAL CA C 13 65.88 0.50 . 1 . . . . . . . . 4857 1 1442 . 1 1 119 119 VAL CB C 13 31.31 0.50 . 1 . . . . . . . . 4857 1 1443 . 1 1 119 119 VAL C C 13 177.46 0.50 . 1 . . . . . . . . 4857 1 1444 . 1 1 119 119 VAL CG1 C 13 20.99 0.50 . 1 . . . . . . . . 4857 1 1445 . 1 1 119 119 VAL CG2 C 13 23.11 0.50 . 1 . . . . . . . . 4857 1 1446 . 1 1 119 119 VAL N N 15 119.42 0.25 . 1 . . . . . . . . 4857 1 1447 . 1 1 120 120 ALA H H 1 7.82 0.03 . 1 . . . . . . . . 4857 1 1448 . 1 1 120 120 ALA HA H 1 4.05 0.03 . 1 . . . . . . . . 4857 1 1449 . 1 1 120 120 ALA HB1 H 1 1.52 0.03 . 1 . . . . . . . . 4857 1 1450 . 1 1 120 120 ALA HB2 H 1 1.52 0.03 . 1 . . . . . . . . 4857 1 1451 . 1 1 120 120 ALA HB3 H 1 1.52 0.03 . 1 . . . . . . . . 4857 1 1452 . 1 1 120 120 ALA CA C 13 54.23 0.50 . 1 . . . . . . . . 4857 1 1453 . 1 1 120 120 ALA CB C 13 17.27 0.50 . 1 . . . . . . . . 4857 1 1454 . 1 1 120 120 ALA C C 13 178.84 0.50 . 1 . . . . . . . . 4857 1 1455 . 1 1 120 120 ALA N N 15 122.21 0.25 . 1 . . . . . . . . 4857 1 1456 . 1 1 121 121 LYS H H 1 7.44 0.03 . 1 . . . . . . . . 4857 1 1457 . 1 1 121 121 LYS HA H 1 4.08 0.03 . 1 . . . . . . . . 4857 1 1458 . 1 1 121 121 LYS HB2 H 1 1.78 0.03 . 1 . . . . . . . . 4857 1 1459 . 1 1 121 121 LYS HB3 H 1 1.78 0.03 . 1 . . . . . . . . 4857 1 1460 . 1 1 121 121 LYS HG2 H 1 1.44 0.03 . 2 . . . . . . . . 4857 1 1461 . 1 1 121 121 LYS HG3 H 1 1.39 0.03 . 2 . . . . . . . . 4857 1 1462 . 1 1 121 121 LYS HD2 H 1 1.79 0.03 . 2 . . . . . . . . 4857 1 1463 . 1 1 121 121 LYS HD3 H 1 1.66 0.03 . 2 . . . . . . . . 4857 1 1464 . 1 1 121 121 LYS HE2 H 1 2.95 0.03 . 1 . . . . . . . . 4857 1 1465 . 1 1 121 121 LYS HE3 H 1 2.95 0.03 . 1 . . . . . . . . 4857 1 1466 . 1 1 121 121 LYS CA C 13 57.42 0.50 . 1 . . . . . . . . 4857 1 1467 . 1 1 121 121 LYS CB C 13 31.63 0.50 . 1 . . . . . . . . 4857 1 1468 . 1 1 121 121 LYS C C 13 177.27 0.50 . 1 . . . . . . . . 4857 1 1469 . 1 1 121 121 LYS CG C 13 24.12 0.50 . 1 . . . . . . . . 4857 1 1470 . 1 1 121 121 LYS CD C 13 29.03 0.50 . 1 . . . . . . . . 4857 1 1471 . 1 1 121 121 LYS CE C 13 41.42 0.50 . 1 . . . . . . . . 4857 1 1472 . 1 1 121 121 LYS N N 15 117.41 0.25 . 1 . . . . . . . . 4857 1 1473 . 1 1 122 122 ALA H H 1 7.85 0.03 . 1 . . . . . . . . 4857 1 1474 . 1 1 122 122 ALA HA H 1 3.86 0.03 . 1 . . . . . . . . 4857 1 1475 . 1 1 122 122 ALA HB1 H 1 0.66 0.03 . 1 . . . . . . . . 4857 1 1476 . 1 1 122 122 ALA HB2 H 1 0.66 0.03 . 1 . . . . . . . . 4857 1 1477 . 1 1 122 122 ALA HB3 H 1 0.66 0.03 . 1 . . . . . . . . 4857 1 1478 . 1 1 122 122 ALA CA C 13 52.87 0.50 . 1 . . . . . . . . 4857 1 1479 . 1 1 122 122 ALA CB C 13 17.78 0.50 . 1 . . . . . . . . 4857 1 1480 . 1 1 122 122 ALA C C 13 177.88 0.50 . 1 . . . . . . . . 4857 1 1481 . 1 1 122 122 ALA N N 15 121.72 0.25 . 1 . . . . . . . . 4857 1 1482 . 1 1 123 123 THR H H 1 7.45 0.03 . 1 . . . . . . . . 4857 1 1483 . 1 1 123 123 THR HA H 1 4.27 0.03 . 1 . . . . . . . . 4857 1 1484 . 1 1 123 123 THR HG21 H 1 1.25 0.03 . 1 . . . . . . . . 4857 1 1485 . 1 1 123 123 THR HG22 H 1 1.25 0.03 . 1 . . . . . . . . 4857 1 1486 . 1 1 123 123 THR HG23 H 1 1.25 0.03 . 1 . . . . . . . . 4857 1 1487 . 1 1 123 123 THR CA C 13 61.34 0.50 . 1 . . . . . . . . 4857 1 1488 . 1 1 123 123 THR CB C 13 69.18 0.50 . 1 . . . . . . . . 4857 1 1489 . 1 1 123 123 THR C C 13 173.56 0.50 . 1 . . . . . . . . 4857 1 1490 . 1 1 123 123 THR CG2 C 13 21.03 0.50 . 1 . . . . . . . . 4857 1 1491 . 1 1 123 123 THR N N 15 108.36 0.25 . 1 . . . . . . . . 4857 1 1492 . 1 1 124 124 LYS H H 1 7.69 0.03 . 1 . . . . . . . . 4857 1 1493 . 1 1 124 124 LYS HA H 1 4.32 0.03 . 1 . . . . . . . . 4857 1 1494 . 1 1 124 124 LYS HB2 H 1 1.88 0.03 . 1 . . . . . . . . 4857 1 1495 . 1 1 124 124 LYS HB3 H 1 1.88 0.03 . 1 . . . . . . . . 4857 1 1496 . 1 1 124 124 LYS HG2 H 1 1.50 0.03 . 1 . . . . . . . . 4857 1 1497 . 1 1 124 124 LYS HG3 H 1 1.50 0.03 . 1 . . . . . . . . 4857 1 1498 . 1 1 124 124 LYS HD2 H 1 1.72 0.03 . 1 . . . . . . . . 4857 1 1499 . 1 1 124 124 LYS HD3 H 1 1.72 0.03 . 1 . . . . . . . . 4857 1 1500 . 1 1 124 124 LYS HE2 H 1 3.03 0.03 . 1 . . . . . . . . 4857 1 1501 . 1 1 124 124 LYS HE3 H 1 3.03 0.03 . 1 . . . . . . . . 4857 1 1502 . 1 1 124 124 LYS CA C 13 55.93 0.50 . 1 . . . . . . . . 4857 1 1503 . 1 1 124 124 LYS CB C 13 31.91 0.50 . 1 . . . . . . . . 4857 1 1504 . 1 1 124 124 LYS C C 13 174.64 0.50 . 1 . . . . . . . . 4857 1 1505 . 1 1 124 124 LYS CG C 13 28.88 0.50 . 1 . . . . . . . . 4857 1 1506 . 1 1 124 124 LYS CD C 13 23.92 0.50 . 1 . . . . . . . . 4857 1 1507 . 1 1 124 124 LYS CE C 13 41.57 0.50 . 1 . . . . . . . . 4857 1 1508 . 1 1 124 124 LYS N N 15 124.57 0.25 . 1 . . . . . . . . 4857 1 1509 . 1 1 125 125 LYS H H 1 7.91 0.03 . 1 . . . . . . . . 4857 1 1510 . 1 1 125 125 LYS HA H 1 4.20 0.03 . 1 . . . . . . . . 4857 1 1511 . 1 1 125 125 LYS HB2 H 1 1.84 0.03 . 1 . . . . . . . . 4857 1 1512 . 1 1 125 125 LYS HB3 H 1 1.84 0.03 . 1 . . . . . . . . 4857 1 1513 . 1 1 125 125 LYS HG2 H 1 1.43 0.03 . 1 . . . . . . . . 4857 1 1514 . 1 1 125 125 LYS HG3 H 1 1.43 0.03 . 1 . . . . . . . . 4857 1 1515 . 1 1 125 125 LYS HD2 H 1 1.73 0.03 . 1 . . . . . . . . 4857 1 1516 . 1 1 125 125 LYS HD3 H 1 1.73 0.03 . 1 . . . . . . . . 4857 1 1517 . 1 1 125 125 LYS HE2 H 1 3.03 0.03 . 1 . . . . . . . . 4857 1 1518 . 1 1 125 125 LYS HE3 H 1 3.03 0.03 . 1 . . . . . . . . 4857 1 1519 . 1 1 125 125 LYS CA C 13 56.98 0.50 . 1 . . . . . . . . 4857 1 1520 . 1 1 125 125 LYS CB C 13 33.07 0.50 . 1 . . . . . . . . 4857 1 1521 . 1 1 125 125 LYS C C 13 180.62 0.50 . 1 . . . . . . . . 4857 1 1522 . 1 1 125 125 LYS N N 15 128.83 0.25 . 1 . . . . . . . . 4857 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_values_set_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_values_set_1 _Coupling_constant_list.Entry_ID 4857 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $Ex-cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 500 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 9 '2D TOCSY' 1 $sample_1 . 4857 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 11 11 LEU H H 1 . . 1 1 11 11 LEU HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 2 3JHNHA . 1 1 12 12 LEU H H 1 . . 1 1 12 12 LEU HA H 1 . 6.6 . . 0.5 . . . . . . . . . . . 4857 1 3 3JHNHA . 1 1 13 13 ASP H H 1 . . 1 1 13 13 ASP HA H 1 . 8.2 . . 0.5 . . . . . . . . . . . 4857 1 4 3JHNHA . 1 1 16 16 MET H H 1 . . 1 1 16 16 MET HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 5 3JHNHA . 1 1 17 17 LEU H H 1 . . 1 1 17 17 LEU HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 6 3JHNHA . 1 1 18 18 GLU H H 1 . . 1 1 18 18 GLU HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 7 3JHNHA . 1 1 19 19 GLN H H 1 . . 1 1 19 19 GLN HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 8 3JHNHA . 1 1 20 20 TYR H H 1 . . 1 1 20 20 TYR HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 9 3JHNHA . 1 1 21 21 LEU H H 1 . . 1 1 21 21 LEU HA H 1 . 1.1 . . 0.5 . . . . . . . . . . . 4857 1 10 3JHNHA . 1 1 22 22 GLU H H 1 . . 1 1 22 22 GLU HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 11 3JHNHA . 1 1 24 24 VAL H H 1 . . 1 1 24 24 VAL HA H 1 . 11.3 . . 0.5 . . . . . . . . . . . 4857 1 12 3JHNHA . 1 1 25 25 GLY H H 1 . . 1 1 25 25 GLY HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 13 3JHNHA . 1 1 27 27 LYS H H 1 . . 1 1 27 27 LYS HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 14 3JHNHA . 1 1 28 28 LEU H H 1 . . 1 1 28 28 LEU HA H 1 . 1.5 . . 0.5 . . . . . . . . . . . 4857 1 15 3JHNHA . 1 1 29 29 ILE H H 1 . . 1 1 29 29 ILE HA H 1 . 4.8 . . 0.5 . . . . . . . . . . . 4857 1 16 3JHNHA . 1 1 30 30 THR H H 1 . . 1 1 30 30 THR HA H 1 . 1.1 . . 0.5 . . . . . . . . . . . 4857 1 17 3JHNHA . 1 1 31 31 ASP H H 1 . . 1 1 31 31 ASP HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 18 3JHNHA . 1 1 33 33 LEU H H 1 . . 1 1 33 33 LEU HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 19 3JHNHA . 1 1 34 34 ALA H H 1 . . 1 1 34 34 ALA HA H 1 . 1.3 . . 0.5 . . . . . . . . . . . 4857 1 20 3JHNHA . 1 1 35 35 VAL H H 1 . . 1 1 35 35 VAL HA H 1 . 2.6 . . 0.5 . . . . . . . . . . . 4857 1 21 3JHNHA . 1 1 36 36 PHE H H 1 . . 1 1 36 36 PHE HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 22 3JHNHA . 1 1 37 37 GLU H H 1 . . 1 1 37 37 GLU HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 23 3JHNHA . 1 1 38 38 LYS H H 1 . . 1 1 38 38 LYS HA H 1 . 4.9 . . 0.5 . . . . . . . . . . . 4857 1 24 3JHNHA . 1 1 39 39 MET H H 1 . . 1 1 39 39 MET HA H 1 . 3.8 . . 0.5 . . . . . . . . . . . 4857 1 25 3JHNHA . 1 1 42 42 GLY H H 1 . . 1 1 42 42 GLY HA H 1 . 3.3 . . 0.5 . . . . . . . . . . . 4857 1 26 3JHNHA . 1 1 43 43 TYR H H 1 . . 1 1 43 43 TYR HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 27 3JHNHA . 1 1 44 44 VAL H H 1 . . 1 1 44 44 VAL HA H 1 . 1.1 . . 0.5 . . . . . . . . . . . 4857 1 28 3JHNHA . 1 1 45 45 SER H H 1 . . 1 1 45 45 SER HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 29 3JHNHA . 1 1 46 46 VAL H H 1 . . 1 1 46 46 VAL HA H 1 . 2.3 . . 0.5 . . . . . . . . . . . 4857 1 30 3JHNHA . 1 1 47 47 LEU H H 1 . . 1 1 47 47 LEU HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 31 3JHNHA . 1 1 48 48 GLU H H 1 . . 1 1 48 48 GLU HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 32 3JHNHA . 1 1 49 49 SER H H 1 . . 1 1 49 49 SER HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 33 3JHNHA . 1 1 50 50 ASN H H 1 . . 1 1 50 50 ASN HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 34 3JHNHA . 1 1 51 51 LEU H H 1 . . 1 1 51 51 LEU HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 35 3JHNHA . 1 1 52 52 THR H H 1 . . 1 1 52 52 THR HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 36 3JHNHA . 1 1 53 53 ALA H H 1 . . 1 1 53 53 ALA HA H 1 . 6.0 . . 0.5 . . . . . . . . . . . 4857 1 37 3JHNHA . 1 1 54 54 GLN H H 1 . . 1 1 54 54 GLN HA H 1 . 4.3 . . 0.5 . . . . . . . . . . . 4857 1 38 3JHNHA . 1 1 55 55 ASP H H 1 . . 1 1 55 55 ASP HA H 1 . 9.3 . . 0.5 . . . . . . . . . . . 4857 1 39 3JHNHA . 1 1 56 56 LYS H H 1 . . 1 1 56 56 LYS HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 40 3JHNHA . 1 1 58 58 GLY H H 1 . . 1 1 58 58 GLY HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 41 3JHNHA . 1 1 59 59 ILE H H 1 . . 1 1 59 59 ILE HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 42 3JHNHA . 1 1 60 60 VAL H H 1 . . 1 1 60 60 VAL HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 43 3JHNHA . 1 1 61 61 GLU H H 1 . . 1 1 61 61 GLU HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 44 3JHNHA . 1 1 62 62 GLU H H 1 . . 1 1 62 62 GLU HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 45 3JHNHA . 1 1 63 63 GLY H H 1 . . 1 1 63 63 GLY HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 46 3JHNHA . 1 1 64 64 HIS H H 1 . . 1 1 64 64 HIS HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 47 3JHNHA . 1 1 65 65 LYS H H 1 . . 1 1 65 65 LYS HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 48 3JHNHA . 1 1 66 66 ILE H H 1 . . 1 1 66 66 ILE HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 49 3JHNHA . 1 1 68 68 GLY H H 1 . . 1 1 68 68 GLY HA H 1 . 5.9 . . 0.5 . . . . . . . . . . . 4857 1 50 3JHNHA . 1 1 69 69 ALA H H 1 . . 1 1 69 69 ALA HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 51 3JHNHA . 1 1 70 70 ALA H H 1 . . 1 1 70 70 ALA HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 52 3JHNHA . 1 1 71 71 GLY H H 1 . . 1 1 71 71 GLY HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 53 3JHNHA . 1 1 72 72 SER H H 1 . . 1 1 72 72 SER HA H 1 . 1.4 . . 0.5 . . . . . . . . . . . 4857 1 54 3JHNHA . 1 1 73 73 VAL H H 1 . . 1 1 73 73 VAL HA H 1 . 11.8 . . 0.5 . . . . . . . . . . . 4857 1 55 3JHNHA . 1 1 74 74 GLY H H 1 . . 1 1 74 74 GLY HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 56 3JHNHA . 1 1 75 75 LEU H H 1 . . 1 1 75 75 LEU HA H 1 . 5.9 . . 0.5 . . . . . . . . . . . 4857 1 57 3JHNHA . 1 1 76 76 ARG H H 1 . . 1 1 76 76 ARG HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 58 3JHNHA . 1 1 78 78 LEU H H 1 . . 1 1 78 78 LEU HA H 1 . 1.9 . . 0.5 . . . . . . . . . . . 4857 1 59 3JHNHA . 1 1 80 80 GLN H H 1 . . 1 1 80 80 GLN HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 60 3JHNHA . 1 1 82 82 GLY H H 1 . . 1 1 82 82 GLY HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 61 3JHNHA . 1 1 83 83 GLN H H 1 . . 1 1 83 83 GLN HA H 1 . 0.7 . . 0.5 . . . . . . . . . . . 4857 1 62 3JHNHA . 1 1 85 85 ILE H H 1 . . 1 1 85 85 ILE HA H 1 . 2.5 . . 0.5 . . . . . . . . . . . 4857 1 63 3JHNHA . 1 1 86 86 GLN H H 1 . . 1 1 86 86 GLN HA H 1 . 5.5 . . 0.5 . . . . . . . . . . . 4857 1 64 3JHNHA . 1 1 87 87 SER H H 1 . . 1 1 87 87 SER HA H 1 . 9.9 . . 0.5 . . . . . . . . . . . 4857 1 65 3JHNHA . 1 1 89 89 ASP H H 1 . . 1 1 89 89 ASP HA H 1 . 8.3 . . 0.5 . . . . . . . . . . . 4857 1 66 3JHNHA . 1 1 90 90 LEU H H 1 . . 1 1 90 90 LEU HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 67 3JHNHA . 1 1 92 92 ALA H H 1 . . 1 1 92 92 ALA HA H 1 . 3.0 . . 0.5 . . . . . . . . . . . 4857 1 68 3JHNHA . 1 1 93 93 TRP H H 1 . . 1 1 93 93 TRP HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 69 3JHNHA . 1 1 94 94 GLU H H 1 . . 1 1 94 94 GLU HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 70 3JHNHA . 1 1 95 95 ASP H H 1 . . 1 1 95 95 ASP HA H 1 . 6.4 . . 0.5 . . . . . . . . . . . 4857 1 71 3JHNHA . 1 1 96 96 ASN H H 1 . . 1 1 96 96 ASN HA H 1 . 9.7 . . 0.5 . . . . . . . . . . . 4857 1 72 3JHNHA . 1 1 97 97 VAL H H 1 . . 1 1 97 97 VAL HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 73 3JHNHA . 1 1 98 98 GLY H H 1 . . 1 1 98 98 GLY HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 74 3JHNHA . 1 1 99 99 GLU H H 1 . . 1 1 99 99 GLU HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 75 3JHNHA . 1 1 100 100 TRP H H 1 . . 1 1 100 100 TRP HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 76 3JHNHA . 1 1 101 101 ILE H H 1 . . 1 1 101 101 ILE HA H 1 . 1.7 . . 0.5 . . . . . . . . . . . 4857 1 77 3JHNHA . 1 1 102 102 GLU H H 1 . . 1 1 102 102 GLU HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 78 3JHNHA . 1 1 103 103 GLU H H 1 . . 1 1 103 103 GLU HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 79 3JHNHA . 1 1 104 104 MET H H 1 . . 1 1 104 104 MET HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 80 3JHNHA . 1 1 105 105 LYS H H 1 . . 1 1 105 105 LYS HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 81 3JHNHA . 1 1 106 106 GLU H H 1 . . 1 1 106 106 GLU HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 82 3JHNHA . 1 1 107 107 GLU H H 1 . . 1 1 107 107 GLU HA H 1 . 7.9 . . 0.5 . . . . . . . . . . . 4857 1 83 3JHNHA . 1 1 108 108 TRP H H 1 . . 1 1 108 108 TRP HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 84 3JHNHA . 1 1 109 109 ARG H H 1 . . 1 1 109 109 ARG HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 85 3JHNHA . 1 1 110 110 HIS H H 1 . . 1 1 110 110 HIS HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 86 3JHNHA . 1 1 111 111 ASP H H 1 . . 1 1 111 111 ASP HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 87 3JHNHA . 1 1 114 114 VAL H H 1 . . 1 1 114 114 VAL HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 88 3JHNHA . 1 1 115 115 LEU H H 1 . . 1 1 115 115 LEU HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 89 3JHNHA . 1 1 116 116 LYS H H 1 . . 1 1 116 116 LYS HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 90 3JHNHA . 1 1 117 117 ALA H H 1 . . 1 1 117 117 ALA HA H 1 . 1.3 . . 0.5 . . . . . . . . . . . 4857 1 91 3JHNHA . 1 1 118 118 TRP H H 1 . . 1 1 118 118 TRP HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 92 3JHNHA . 1 1 119 119 VAL H H 1 . . 1 1 119 119 VAL HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 93 3JHNHA . 1 1 120 120 ALA H H 1 . . 1 1 120 120 ALA HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 94 3JHNHA . 1 1 121 121 LYS H H 1 . . 1 1 121 121 LYS HA H 1 . 4.9 . . 0.5 . . . . . . . . . . . 4857 1 95 3JHNHA . 1 1 122 122 ALA H H 1 . . 1 1 122 122 ALA HA H 1 . 0.0 . . 0.5 . . . . . . . . . . . 4857 1 96 3JHNHA . 1 1 123 123 THR H H 1 . . 1 1 123 123 THR HA H 1 . 7.9 . . 0.5 . . . . . . . . . . . 4857 1 stop_ save_