data_17332 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17332 _Entry.Title ; Solution Structure of the talin Vbs2b domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-12-02 _Entry.Accession_date 2010-12-02 _Entry.Last_release_date 2012-07-25 _Entry.Original_release_date 2012-07-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Benjamin Goult . T. . 17332 2 Alexandre Gingras . R. . 17332 3 Neil Bate . . . 17332 4 Gordon Roberts . C.K. . 17332 5 Igor Barsukov . L. . 17332 6 David Critchley . R. . 17332 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17332 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 522 17332 '15N chemical shifts' 148 17332 '1H chemical shifts' 877 17332 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 . . 2012-07-25 2010-12-02 original author . 17332 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17332 _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 'High resolution NMR structure of gpW (W protein of bacteriophage lambda) at acidic pH' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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.Entry_ID _Citation_author.Citation_ID 1 Benjamin Goult . T. . 17332 1 2 Alexandre Gingras . R. . 17332 1 3 Neil Bate . . . 17332 1 4 Gordon Roberts . C.K. . 17332 1 5 Igor Barsukov . L. . 17332 1 6 David Critchley . R. . 17332 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'focal adhesion' 17332 1 'helical bundle' 17332 1 integrin 17332 1 rod 17332 1 talin 17332 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17332 _Assembly.ID 1 _Assembly.Name vbs2b _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 vbs2b 1 $Vbs2b A . yes native no no . . . 17332 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Vbs2b _Entity.Sf_category entity _Entity.Sf_framecode Vbs2b _Entity.Entry_ID 17332 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Vbs2b _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 ; GIDPFTAHATGAGPAGRYDQ ATDTILTVTENIFSSMGDAG EMVRQARILAQATSDLVNAI KADAEGESDLENSRKLLSAA KILADATAKMVEAAKGAAAH PDSEEQQQRLREAAEGLRMA TNAAAQNAIKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-6 (781-786) represent a non-native affinity tag' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 131 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1U89 . "Solution Structure Of Vbs2 Fragment Of Talin" . . . . . 78.63 139 100.00 100.00 1.57e-64 . . . . 17332 1 2 no PDB 2L7A . "Solution Structure Of The Talin Vbs2b Domain" . . . . . 100.00 131 100.00 100.00 3.28e-86 . . . . 17332 1 3 no DBJ BAA82979 . "KIAA1027 protein [Homo sapiens]" . . . . . 95.42 2541 100.00 100.00 7.03e-72 . . . . 17332 1 4 no DBJ BAC65702 . "mKIAA1027 protein [Mus musculus]" . . . . . 95.42 2564 100.00 100.00 7.01e-72 . . . . 17332 1 5 no DBJ BAE27781 . "unnamed protein product [Mus musculus]" . . . . . 95.42 2541 100.00 100.00 8.69e-72 . . . . 17332 1 6 no DBJ BAG09941 . "talin-1 [synthetic construct]" . . . . . 95.42 2541 100.00 100.00 7.03e-72 . . . . 17332 1 7 no EMBL CAA39588 . "talin [Mus musculus]" . . . . . 95.42 2541 100.00 100.00 8.12e-72 . . . . 17332 1 8 no GB AAD13152 . "talin [Homo sapiens]" . . . . . 95.42 2541 99.20 99.20 1.29e-70 . . . . 17332 1 9 no GB AAF23322 . "talin [Homo sapiens]" . . . . . 95.42 2541 99.20 99.20 1.20e-70 . . . . 17332 1 10 no GB AAF27330 . "talin [Homo sapiens]" . . . . . 95.42 2540 100.00 100.00 6.19e-72 . . . . 17332 1 11 no GB AAH42923 . "Talin 1 [Homo sapiens]" . . . . . 95.42 2541 100.00 100.00 7.03e-72 . . . . 17332 1 12 no GB AAI00263 . "Tln1 protein [Rattus norvegicus]" . . . . . 68.70 1552 100.00 100.00 1.86e-46 . . . . 17332 1 13 no PRF 1617167A . talin . . . . . 95.42 2541 100.00 100.00 8.12e-72 . . . . 17332 1 14 no REF NP_001034114 . "talin-1 [Rattus norvegicus]" . . . . . 95.42 2541 100.00 100.00 6.50e-72 . . . . 17332 1 15 no REF NP_001192357 . "talin-1 [Bos taurus]" . . . . . 95.42 2541 99.20 100.00 9.03e-71 . . . . 17332 1 16 no REF NP_006280 . "talin-1 [Homo sapiens]" . . . . . 95.42 2541 100.00 100.00 7.03e-72 . . . . 17332 1 17 no REF NP_035732 . "talin-1 [Mus musculus]" . . . . . 95.42 2541 100.00 100.00 8.69e-72 . . . . 17332 1 18 no REF XP_001084941 . "PREDICTED: talin-1 [Macaca mulatta]" . . . . . 95.42 2428 99.20 100.00 3.92e-71 . . . . 17332 1 19 no SP P26039 . "RecName: Full=Talin-1" . . . . . 95.42 2541 100.00 100.00 8.69e-72 . . . . 17332 1 20 no SP Q9Y490 . "RecName: Full=Talin-1" . . . . . 95.42 2541 100.00 100.00 7.03e-72 . . . . 17332 1 21 no TPG DAA26829 . "TPA: talin 1 [Bos taurus]" . . . . . 95.42 2541 97.60 98.40 1.12e-68 . . . . 17332 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 1 781 GLY . 17332 1 2 782 ILE . 17332 1 3 783 ASP . 17332 1 4 784 PRO . 17332 1 5 785 PHE . 17332 1 6 786 THR . 17332 1 7 787 ALA . 17332 1 8 788 HIS . 17332 1 9 789 ALA . 17332 1 10 790 THR . 17332 1 11 791 GLY . 17332 1 12 792 ALA . 17332 1 13 793 GLY . 17332 1 14 794 PRO . 17332 1 15 795 ALA . 17332 1 16 796 GLY . 17332 1 17 797 ARG . 17332 1 18 798 TYR . 17332 1 19 799 ASP . 17332 1 20 800 GLN . 17332 1 21 801 ALA . 17332 1 22 802 THR . 17332 1 23 803 ASP . 17332 1 24 804 THR . 17332 1 25 805 ILE . 17332 1 26 806 LEU . 17332 1 27 807 THR . 17332 1 28 808 VAL . 17332 1 29 809 THR . 17332 1 30 810 GLU . 17332 1 31 811 ASN . 17332 1 32 812 ILE . 17332 1 33 813 PHE . 17332 1 34 814 SER . 17332 1 35 815 SER . 17332 1 36 816 MET . 17332 1 37 817 GLY . 17332 1 38 818 ASP . 17332 1 39 819 ALA . 17332 1 40 820 GLY . 17332 1 41 821 GLU . 17332 1 42 822 MET . 17332 1 43 823 VAL . 17332 1 44 824 ARG . 17332 1 45 825 GLN . 17332 1 46 826 ALA . 17332 1 47 827 ARG . 17332 1 48 828 ILE . 17332 1 49 829 LEU . 17332 1 50 830 ALA . 17332 1 51 831 GLN . 17332 1 52 832 ALA . 17332 1 53 833 THR . 17332 1 54 834 SER . 17332 1 55 835 ASP . 17332 1 56 836 LEU . 17332 1 57 837 VAL . 17332 1 58 838 ASN . 17332 1 59 839 ALA . 17332 1 60 840 ILE . 17332 1 61 841 LYS . 17332 1 62 842 ALA . 17332 1 63 843 ASP . 17332 1 64 844 ALA . 17332 1 65 845 GLU . 17332 1 66 846 GLY . 17332 1 67 847 GLU . 17332 1 68 848 SER . 17332 1 69 849 ASP . 17332 1 70 850 LEU . 17332 1 71 851 GLU . 17332 1 72 852 ASN . 17332 1 73 853 SER . 17332 1 74 854 ARG . 17332 1 75 855 LYS . 17332 1 76 856 LEU . 17332 1 77 857 LEU . 17332 1 78 858 SER . 17332 1 79 859 ALA . 17332 1 80 860 ALA . 17332 1 81 861 LYS . 17332 1 82 862 ILE . 17332 1 83 863 LEU . 17332 1 84 864 ALA . 17332 1 85 865 ASP . 17332 1 86 866 ALA . 17332 1 87 867 THR . 17332 1 88 868 ALA . 17332 1 89 869 LYS . 17332 1 90 870 MET . 17332 1 91 871 VAL . 17332 1 92 872 GLU . 17332 1 93 873 ALA . 17332 1 94 874 ALA . 17332 1 95 875 LYS . 17332 1 96 876 GLY . 17332 1 97 877 ALA . 17332 1 98 878 ALA . 17332 1 99 879 ALA . 17332 1 100 880 HIS . 17332 1 101 881 PRO . 17332 1 102 882 ASP . 17332 1 103 883 SER . 17332 1 104 884 GLU . 17332 1 105 885 GLU . 17332 1 106 886 GLN . 17332 1 107 887 GLN . 17332 1 108 888 GLN . 17332 1 109 889 ARG . 17332 1 110 890 LEU . 17332 1 111 891 ARG . 17332 1 112 892 GLU . 17332 1 113 893 ALA . 17332 1 114 894 ALA . 17332 1 115 895 GLU . 17332 1 116 896 GLY . 17332 1 117 897 LEU . 17332 1 118 898 ARG . 17332 1 119 899 MET . 17332 1 120 900 ALA . 17332 1 121 901 THR . 17332 1 122 902 ASN . 17332 1 123 903 ALA . 17332 1 124 904 ALA . 17332 1 125 905 ALA . 17332 1 126 906 GLN . 17332 1 127 907 ASN . 17332 1 128 908 ALA . 17332 1 129 909 ILE . 17332 1 130 910 LYS . 17332 1 131 911 LYS . 17332 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17332 1 . ILE 2 2 17332 1 . ASP 3 3 17332 1 . PRO 4 4 17332 1 . PHE 5 5 17332 1 . THR 6 6 17332 1 . ALA 7 7 17332 1 . HIS 8 8 17332 1 . ALA 9 9 17332 1 . THR 10 10 17332 1 . GLY 11 11 17332 1 . ALA 12 12 17332 1 . GLY 13 13 17332 1 . PRO 14 14 17332 1 . ALA 15 15 17332 1 . GLY 16 16 17332 1 . ARG 17 17 17332 1 . TYR 18 18 17332 1 . ASP 19 19 17332 1 . GLN 20 20 17332 1 . ALA 21 21 17332 1 . THR 22 22 17332 1 . ASP 23 23 17332 1 . THR 24 24 17332 1 . ILE 25 25 17332 1 . LEU 26 26 17332 1 . THR 27 27 17332 1 . VAL 28 28 17332 1 . THR 29 29 17332 1 . GLU 30 30 17332 1 . ASN 31 31 17332 1 . ILE 32 32 17332 1 . PHE 33 33 17332 1 . SER 34 34 17332 1 . SER 35 35 17332 1 . MET 36 36 17332 1 . GLY 37 37 17332 1 . ASP 38 38 17332 1 . ALA 39 39 17332 1 . GLY 40 40 17332 1 . GLU 41 41 17332 1 . MET 42 42 17332 1 . VAL 43 43 17332 1 . ARG 44 44 17332 1 . GLN 45 45 17332 1 . ALA 46 46 17332 1 . ARG 47 47 17332 1 . ILE 48 48 17332 1 . LEU 49 49 17332 1 . ALA 50 50 17332 1 . GLN 51 51 17332 1 . ALA 52 52 17332 1 . THR 53 53 17332 1 . SER 54 54 17332 1 . ASP 55 55 17332 1 . LEU 56 56 17332 1 . VAL 57 57 17332 1 . ASN 58 58 17332 1 . ALA 59 59 17332 1 . ILE 60 60 17332 1 . LYS 61 61 17332 1 . ALA 62 62 17332 1 . ASP 63 63 17332 1 . ALA 64 64 17332 1 . GLU 65 65 17332 1 . GLY 66 66 17332 1 . GLU 67 67 17332 1 . SER 68 68 17332 1 . ASP 69 69 17332 1 . LEU 70 70 17332 1 . GLU 71 71 17332 1 . ASN 72 72 17332 1 . SER 73 73 17332 1 . ARG 74 74 17332 1 . LYS 75 75 17332 1 . LEU 76 76 17332 1 . LEU 77 77 17332 1 . SER 78 78 17332 1 . ALA 79 79 17332 1 . ALA 80 80 17332 1 . LYS 81 81 17332 1 . ILE 82 82 17332 1 . LEU 83 83 17332 1 . ALA 84 84 17332 1 . ASP 85 85 17332 1 . ALA 86 86 17332 1 . THR 87 87 17332 1 . ALA 88 88 17332 1 . LYS 89 89 17332 1 . MET 90 90 17332 1 . VAL 91 91 17332 1 . GLU 92 92 17332 1 . ALA 93 93 17332 1 . ALA 94 94 17332 1 . LYS 95 95 17332 1 . GLY 96 96 17332 1 . ALA 97 97 17332 1 . ALA 98 98 17332 1 . ALA 99 99 17332 1 . HIS 100 100 17332 1 . PRO 101 101 17332 1 . ASP 102 102 17332 1 . SER 103 103 17332 1 . GLU 104 104 17332 1 . GLU 105 105 17332 1 . GLN 106 106 17332 1 . GLN 107 107 17332 1 . GLN 108 108 17332 1 . ARG 109 109 17332 1 . LEU 110 110 17332 1 . ARG 111 111 17332 1 . GLU 112 112 17332 1 . ALA 113 113 17332 1 . ALA 114 114 17332 1 . GLU 115 115 17332 1 . GLY 116 116 17332 1 . LEU 117 117 17332 1 . ARG 118 118 17332 1 . MET 119 119 17332 1 . ALA 120 120 17332 1 . THR 121 121 17332 1 . ASN 122 122 17332 1 . ALA 123 123 17332 1 . ALA 124 124 17332 1 . ALA 125 125 17332 1 . GLN 126 126 17332 1 . ASN 127 127 17332 1 . ALA 128 128 17332 1 . ILE 129 129 17332 1 . LYS 130 130 17332 1 . LYS 131 131 17332 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 17332 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Vbs2b . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 17332 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 17332 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Vbs2b . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) * . . . . . . . . . . . . . . pet151 . . . . . . 17332 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Sample.Sf_category sample _Sample.Sf_framecode 15N _Sample.Entry_ID 17332 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Vbs2b '[U-100% 15N]' . . 1 $Vbs2b . . 1 . . mM 0.05 . . . 17332 1 2 D2O '[U-100% 2H]' . . . . . . 10 . . % 0.01 . . . 17332 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 0.01 . . . 17332 1 4 DTT 'natural abundance' . . . . . . 2 . . mM 0.01 . . . 17332 1 5 TRIS 'natural abundance' . . . . . . 20 . . mM 0.01 . . . 17332 1 6 H2O 'natural abundance' . . . . . . 90 . . % 0.01 . . . 17332 1 stop_ save_ save_double _Sample.Sf_category sample _Sample.Sf_framecode double _Sample.Entry_ID 17332 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Vbs2b '[U-100% 13C; U-100% 15N]' . . 1 $Vbs2b . . 1 . . mM 0.05 . . . 17332 2 2 D2O '[U-100% 2H]' . . . . . . 10 . . % 0.01 . . . 17332 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 0.01 . . . 17332 2 4 DTT 'natural abundance' . . . . . . 2 . . mM 0.01 . . . 17332 2 5 TRIS 'natural abundance' . . . . . . 20 . . mM 0.01 . . . 17332 2 6 H2O 'natural abundance' . . . . . . 90 . . % 0.01 . . . 17332 2 stop_ save_ save_D20 _Sample.Sf_category sample _Sample.Sf_framecode D20 _Sample.Entry_ID 17332 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Vbs2b '[U-100% 15N]' . . 1 $Vbs2b . . 1 . . mM 0.05 . . . 17332 3 2 D2O '[U-100% 2H]' . . . . . . 100 . . % 0.01 . . . 17332 3 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 0.01 . . . 17332 3 4 DTT 'natural abundance' . . . . . . 2 . . mM 0.01 . . . 17332 3 5 TRIS 'natural abundance' . . . . . . 20 . . mM 0.01 . . . 17332 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17332 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 0.1 mM 17332 1 pH 6.5 0.1 pH 17332 1 pressure 1 . atm 17332 1 temperature 298 0.1 K 17332 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 17332 _Software.ID 1 _Software.Name ARIA _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 17332 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 17332 1 refinement 17332 1 'structure solution' 17332 1 stop_ save_ save_CCPNAnalysis _Software.Sf_category software _Software.Sf_framecode CCPNAnalysis _Software.Entry_ID 17332 _Software.ID 2 _Software.Name CCPNAnalysis _Software.Version 1.15 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 17332 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17332 2 'data analysis' 17332 2 'peak picking' 17332 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17332 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17332 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17332 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 17332 1 2 spectrometer_2 Bruker DRX . 800 . . . 17332 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 17332 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17332 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $double isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17332 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $D20 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17332 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $double isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17332 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $double isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17332 1 6 '3D HNCA' no . . . . . . . . . . 2 $double isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17332 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17332 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $double isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17332 1 9 '3D HNCO' no . . . . . . . . . . 2 $double isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17332 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17332 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17332 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17332 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17332 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17332 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17332 1 2 '2D 1H-13C HSQC' . . . 17332 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 2 2 ILE HA H 1 4.111 0.02 . 1 . . . . 782 ILE HA . 17332 1 2 . 1 1 2 2 ILE HB H 1 1.708 0.02 . 1 . . . . 782 ILE HB . 17332 1 3 . 1 1 2 2 ILE HG12 H 1 1.057 0.02 . 1 . . . . 782 ILE HG12 . 17332 1 4 . 1 1 2 2 ILE HG13 H 1 1.328 0.02 . 1 . . . . 782 ILE HG13 . 17332 1 5 . 1 1 2 2 ILE HG21 H 1 0.766 0.02 . 1 . . . . 782 ILE HG21 . 17332 1 6 . 1 1 2 2 ILE HG22 H 1 0.766 0.02 . 1 . . . . 782 ILE HG22 . 17332 1 7 . 1 1 2 2 ILE HG23 H 1 0.766 0.02 . 1 . . . . 782 ILE HG23 . 17332 1 8 . 1 1 2 2 ILE HD11 H 1 0.741 0.02 . 1 . . . . 782 ILE HD11 . 17332 1 9 . 1 1 2 2 ILE HD12 H 1 0.741 0.02 . 1 . . . . 782 ILE HD12 . 17332 1 10 . 1 1 2 2 ILE HD13 H 1 0.741 0.02 . 1 . . . . 782 ILE HD13 . 17332 1 11 . 1 1 2 2 ILE C C 13 175.700 0.2 . 1 . . . . 782 ILE C . 17332 1 12 . 1 1 2 2 ILE CA C 13 60.854 0.2 . 1 . . . . 782 ILE CA . 17332 1 13 . 1 1 2 2 ILE CB C 13 38.996 0.2 . 1 . . . . 782 ILE CB . 17332 1 14 . 1 1 2 2 ILE CG1 C 13 27.094 0.002 . 1 . . . . 782 ILE CG1 . 17332 1 15 . 1 1 2 2 ILE CG2 C 13 17.407 0.2 . 1 . . . . 782 ILE CG2 . 17332 1 16 . 1 1 2 2 ILE CD1 C 13 13.018 0.2 . 1 . . . . 782 ILE CD1 . 17332 1 17 . 1 1 3 3 ASP H H 1 8.397 0.02 . 1 . . . . 783 ASP H . 17332 1 18 . 1 1 3 3 ASP HA H 1 4.780 0.02 . 1 . . . . 783 ASP HA . 17332 1 19 . 1 1 3 3 ASP HB2 H 1 2.684 0.02 . 1 . . . . 783 ASP HB2 . 17332 1 20 . 1 1 3 3 ASP HB3 H 1 2.484 0.02 . 1 . . . . 783 ASP HB3 . 17332 1 21 . 1 1 3 3 ASP CA C 13 52.058 0.2 . 1 . . . . 783 ASP CA . 17332 1 22 . 1 1 3 3 ASP CB C 13 41.259 0.001 . 1 . . . . 783 ASP CB . 17332 1 23 . 1 1 3 3 ASP N N 15 126.432 0.2 . 1 . . . . 783 ASP N . 17332 1 24 . 1 1 4 4 PRO HA H 1 4.244 0.02 . 1 . . . . 784 PRO HA . 17332 1 25 . 1 1 4 4 PRO HB2 H 1 1.560 0.02 . 1 . . . . 784 PRO HB2 . 17332 1 26 . 1 1 4 4 PRO HB3 H 1 2.075 0.02 . 1 . . . . 784 PRO HB3 . 17332 1 27 . 1 1 4 4 PRO HG2 H 1 1.821 0.02 . 1 . . . . 784 PRO HG2 . 17332 1 28 . 1 1 4 4 PRO HG3 H 1 1.652 0.02 . 1 . . . . 784 PRO HG3 . 17332 1 29 . 1 1 4 4 PRO HD2 H 1 3.785 0.02 . 1 . . . . 784 PRO HD2 . 17332 1 30 . 1 1 4 4 PRO HD3 H 1 3.667 0.02 . 1 . . . . 784 PRO HD3 . 17332 1 31 . 1 1 4 4 PRO C C 13 177.000 0.2 . 1 . . . . 784 PRO C . 17332 1 32 . 1 1 4 4 PRO CA C 13 63.527 0.2 . 1 . . . . 784 PRO CA . 17332 1 33 . 1 1 4 4 PRO CB C 13 31.936 0.004 . 1 . . . . 784 PRO CB . 17332 1 34 . 1 1 4 4 PRO CG C 13 26.895 0.2 . 1 . . . . 784 PRO CG . 17332 1 35 . 1 1 4 4 PRO CD C 13 50.742 0.2 . 1 . . . . 784 PRO CD . 17332 1 36 . 1 1 5 5 PHE H H 1 8.206 0.02 . 1 . . . . 785 PHE H . 17332 1 37 . 1 1 5 5 PHE HA H 1 4.490 0.02 . 1 . . . . 785 PHE HA . 17332 1 38 . 1 1 5 5 PHE HB2 H 1 3.083 0.02 . 1 . . . . 785 PHE HB2 . 17332 1 39 . 1 1 5 5 PHE HB3 H 1 3.002 0.02 . 1 . . . . 785 PHE HB3 . 17332 1 40 . 1 1 5 5 PHE HD1 H 1 7.197 0.02 . 3 . . . . 785 PHE HD1 . 17332 1 41 . 1 1 5 5 PHE HD2 H 1 7.197 0.02 . 3 . . . . 785 PHE HD2 . 17332 1 42 . 1 1 5 5 PHE HE1 H 1 7.251 0.02 . 3 . . . . 785 PHE HE1 . 17332 1 43 . 1 1 5 5 PHE HE2 H 1 7.251 0.02 . 3 . . . . 785 PHE HE2 . 17332 1 44 . 1 1 5 5 PHE HZ H 1 7.188 0.02 . 1 . . . . 785 PHE HZ . 17332 1 45 . 1 1 5 5 PHE C C 13 176.215 0.2 . 1 . . . . 785 PHE C . 17332 1 46 . 1 1 5 5 PHE CA C 13 58.295 0.2 . 1 . . . . 785 PHE CA . 17332 1 47 . 1 1 5 5 PHE CB C 13 38.901 0.2 . 1 . . . . 785 PHE CB . 17332 1 48 . 1 1 5 5 PHE CD1 C 13 132.163 0.2 . 3 . . . . 785 PHE CD1 . 17332 1 49 . 1 1 5 5 PHE CD2 C 13 132.163 0.2 . 3 . . . . 785 PHE CD2 . 17332 1 50 . 1 1 5 5 PHE CE1 C 13 131.746 0.2 . 3 . . . . 785 PHE CE1 . 17332 1 51 . 1 1 5 5 PHE CE2 C 13 131.746 0.2 . 3 . . . . 785 PHE CE2 . 17332 1 52 . 1 1 5 5 PHE CZ C 13 130.100 0.2 . 1 . . . . 785 PHE CZ . 17332 1 53 . 1 1 5 5 PHE N N 15 118.835 0.2 . 1 . . . . 785 PHE N . 17332 1 54 . 1 1 6 6 THR H H 1 7.701 0.02 . 1 . . . . 786 THR H . 17332 1 55 . 1 1 6 6 THR HA H 1 4.134 0.02 . 1 . . . . 786 THR HA . 17332 1 56 . 1 1 6 6 THR HB H 1 4.053 0.02 . 1 . . . . 786 THR HB . 17332 1 57 . 1 1 6 6 THR HG21 H 1 1.078 0.02 . 1 . . . . 786 THR HG21 . 17332 1 58 . 1 1 6 6 THR HG22 H 1 1.078 0.02 . 1 . . . . 786 THR HG22 . 17332 1 59 . 1 1 6 6 THR HG23 H 1 1.078 0.02 . 1 . . . . 786 THR HG23 . 17332 1 60 . 1 1 6 6 THR C C 13 174.042 0.2 . 1 . . . . 786 THR C . 17332 1 61 . 1 1 6 6 THR CA C 13 61.996 0.2 . 1 . . . . 786 THR CA . 17332 1 62 . 1 1 6 6 THR CB C 13 69.726 0.2 . 1 . . . . 786 THR CB . 17332 1 63 . 1 1 6 6 THR CG2 C 13 21.486 0.2 . 1 . . . . 786 THR CG2 . 17332 1 64 . 1 1 6 6 THR N N 15 114.909 0.2 . 1 . . . . 786 THR N . 17332 1 65 . 1 1 7 7 ALA H H 1 8.050 0.02 . 1 . . . . 787 ALA H . 17332 1 66 . 1 1 7 7 ALA HA H 1 4.119 0.02 . 1 . . . . 787 ALA HA . 17332 1 67 . 1 1 7 7 ALA HB1 H 1 1.230 0.02 . 1 . . . . 787 ALA HB1 . 17332 1 68 . 1 1 7 7 ALA HB2 H 1 1.230 0.02 . 1 . . . . 787 ALA HB2 . 17332 1 69 . 1 1 7 7 ALA HB3 H 1 1.230 0.02 . 1 . . . . 787 ALA HB3 . 17332 1 70 . 1 1 7 7 ALA C C 13 177.330 0.2 . 1 . . . . 787 ALA C . 17332 1 71 . 1 1 7 7 ALA CA C 13 52.711 0.2 . 1 . . . . 787 ALA CA . 17332 1 72 . 1 1 7 7 ALA CB C 13 19.027 0.2 . 1 . . . . 787 ALA CB . 17332 1 73 . 1 1 7 7 ALA N N 15 126.004 0.2 . 1 . . . . 787 ALA N . 17332 1 74 . 1 1 8 8 HIS H H 1 8.175 0.02 . 1 . . . . 788 HIS H . 17332 1 75 . 1 1 8 8 HIS HA H 1 4.538 0.02 . 1 . . . . 788 HIS HA . 17332 1 76 . 1 1 8 8 HIS HB2 H 1 3.115 0.02 . 1 . . . . 788 HIS HB2 . 17332 1 77 . 1 1 8 8 HIS HB3 H 1 3.023 0.02 . 1 . . . . 788 HIS HB3 . 17332 1 78 . 1 1 8 8 HIS HD2 H 1 7.087 0.02 . 1 . . . . 788 HIS HD2 . 17332 1 79 . 1 1 8 8 HIS C C 13 174.820 0.2 . 1 . . . . 788 HIS C . 17332 1 80 . 1 1 8 8 HIS CA C 13 55.455 0.2 . 1 . . . . 788 HIS CA . 17332 1 81 . 1 1 8 8 HIS CB C 13 29.699 0.001 . 1 . . . . 788 HIS CB . 17332 1 82 . 1 1 8 8 HIS CD2 C 13 120.576 0.2 . 1 . . . . 788 HIS CD2 . 17332 1 83 . 1 1 8 8 HIS N N 15 117.614 0.2 . 1 . . . . 788 HIS N . 17332 1 84 . 1 1 9 9 ALA H H 1 8.241 0.02 . 1 . . . . 789 ALA H . 17332 1 85 . 1 1 9 9 ALA HA H 1 4.288 0.02 . 1 . . . . 789 ALA HA . 17332 1 86 . 1 1 9 9 ALA HB1 H 1 1.295 0.02 . 1 . . . . 789 ALA HB1 . 17332 1 87 . 1 1 9 9 ALA HB2 H 1 1.295 0.02 . 1 . . . . 789 ALA HB2 . 17332 1 88 . 1 1 9 9 ALA HB3 H 1 1.295 0.02 . 1 . . . . 789 ALA HB3 . 17332 1 89 . 1 1 9 9 ALA C C 13 177.870 0.2 . 1 . . . . 789 ALA C . 17332 1 90 . 1 1 9 9 ALA CA C 13 52.578 0.2 . 1 . . . . 789 ALA CA . 17332 1 91 . 1 1 9 9 ALA CB C 13 19.228 0.2 . 1 . . . . 789 ALA CB . 17332 1 92 . 1 1 9 9 ALA N N 15 125.323 0.2 . 1 . . . . 789 ALA N . 17332 1 93 . 1 1 10 10 THR H H 1 8.141 0.02 . 1 . . . . 790 THR H . 17332 1 94 . 1 1 10 10 THR HA H 1 4.249 0.02 . 1 . . . . 790 THR HA . 17332 1 95 . 1 1 10 10 THR HB H 1 4.162 0.02 . 1 . . . . 790 THR HB . 17332 1 96 . 1 1 10 10 THR HG21 H 1 1.129 0.02 . 1 . . . . 790 THR HG21 . 17332 1 97 . 1 1 10 10 THR HG22 H 1 1.129 0.02 . 1 . . . . 790 THR HG22 . 17332 1 98 . 1 1 10 10 THR HG23 H 1 1.129 0.02 . 1 . . . . 790 THR HG23 . 17332 1 99 . 1 1 10 10 THR C C 13 175.225 0.2 . 1 . . . . 790 THR C . 17332 1 100 . 1 1 10 10 THR CA C 13 61.992 0.2 . 1 . . . . 790 THR CA . 17332 1 101 . 1 1 10 10 THR CB C 13 69.801 0.2 . 1 . . . . 790 THR CB . 17332 1 102 . 1 1 10 10 THR CG2 C 13 21.508 0.2 . 1 . . . . 790 THR CG2 . 17332 1 103 . 1 1 10 10 THR N N 15 113.192 0.2 . 1 . . . . 790 THR N . 17332 1 104 . 1 1 11 11 GLY H H 1 8.323 0.02 . 1 . . . . 791 GLY H . 17332 1 105 . 1 1 11 11 GLY HA2 H 1 3.889 0.02 . 1 . . . . 791 GLY HA2 . 17332 1 106 . 1 1 11 11 GLY HA3 H 1 3.889 0.02 . 1 . . . . 791 GLY HA3 . 17332 1 107 . 1 1 11 11 GLY C C 13 173.657 0.2 . 1 . . . . 791 GLY C . 17332 1 108 . 1 1 11 11 GLY CA C 13 45.256 0.2 . 1 . . . . 791 GLY CA . 17332 1 109 . 1 1 11 11 GLY N N 15 111.269 0.2 . 1 . . . . 791 GLY N . 17332 1 110 . 1 1 12 12 ALA H H 1 8.120 0.02 . 1 . . . . 792 ALA H . 17332 1 111 . 1 1 12 12 ALA HA H 1 4.296 0.02 . 1 . . . . 792 ALA HA . 17332 1 112 . 1 1 12 12 ALA HB1 H 1 1.292 0.02 . 1 . . . . 792 ALA HB1 . 17332 1 113 . 1 1 12 12 ALA HB2 H 1 1.292 0.02 . 1 . . . . 792 ALA HB2 . 17332 1 114 . 1 1 12 12 ALA HB3 H 1 1.292 0.02 . 1 . . . . 792 ALA HB3 . 17332 1 115 . 1 1 12 12 ALA C C 13 177.786 0.2 . 1 . . . . 792 ALA C . 17332 1 116 . 1 1 12 12 ALA CA C 13 52.250 0.2 . 1 . . . . 792 ALA CA . 17332 1 117 . 1 1 12 12 ALA CB C 13 19.593 0.2 . 1 . . . . 792 ALA CB . 17332 1 118 . 1 1 12 12 ALA N N 15 123.650 0.2 . 1 . . . . 792 ALA N . 17332 1 119 . 1 1 13 13 GLY H H 1 8.150 0.02 . 1 . . . . 793 GLY H . 17332 1 120 . 1 1 13 13 GLY HA2 H 1 4.024 0.02 . 1 . . . . 793 GLY HA2 . 17332 1 121 . 1 1 13 13 GLY HA3 H 1 3.922 0.02 . 1 . . . . 793 GLY HA3 . 17332 1 122 . 1 1 13 13 GLY CA C 13 44.411 0.002 . 1 . . . . 793 GLY CA . 17332 1 123 . 1 1 13 13 GLY N N 15 108.313 0.2 . 1 . . . . 793 GLY N . 17332 1 124 . 1 1 14 14 PRO HA H 1 4.311 0.02 . 1 . . . . 794 PRO HA . 17332 1 125 . 1 1 14 14 PRO HB2 H 1 1.854 0.02 . 1 . . . . 794 PRO HB2 . 17332 1 126 . 1 1 14 14 PRO HB3 H 1 2.169 0.02 . 1 . . . . 794 PRO HB3 . 17332 1 127 . 1 1 14 14 PRO HG2 H 1 1.912 0.02 . 1 . . . . 794 PRO HG2 . 17332 1 128 . 1 1 14 14 PRO HG3 H 1 1.912 0.02 . 1 . . . . 794 PRO HG3 . 17332 1 129 . 1 1 14 14 PRO HD2 H 1 3.513 0.02 . 1 . . . . 794 PRO HD2 . 17332 1 130 . 1 1 14 14 PRO HD3 H 1 3.513 0.02 . 1 . . . . 794 PRO HD3 . 17332 1 131 . 1 1 14 14 PRO C C 13 176.800 0.2 . 1 . . . . 794 PRO C . 17332 1 132 . 1 1 14 14 PRO CA C 13 63.079 0.2 . 1 . . . . 794 PRO CA . 17332 1 133 . 1 1 14 14 PRO CB C 13 32.105 0.002 . 1 . . . . 794 PRO CB . 17332 1 134 . 1 1 14 14 PRO CG C 13 27.128 0.2 . 1 . . . . 794 PRO CG . 17332 1 135 . 1 1 14 14 PRO CD C 13 49.662 0.2 . 1 . . . . 794 PRO CD . 17332 1 136 . 1 1 15 15 ALA H H 1 8.358 0.02 . 1 . . . . 795 ALA H . 17332 1 137 . 1 1 15 15 ALA HA H 1 4.233 0.02 . 1 . . . . 795 ALA HA . 17332 1 138 . 1 1 15 15 ALA HB1 H 1 1.317 0.02 . 1 . . . . 795 ALA HB1 . 17332 1 139 . 1 1 15 15 ALA HB2 H 1 1.317 0.02 . 1 . . . . 795 ALA HB2 . 17332 1 140 . 1 1 15 15 ALA HB3 H 1 1.317 0.02 . 1 . . . . 795 ALA HB3 . 17332 1 141 . 1 1 15 15 ALA C C 13 178.204 0.2 . 1 . . . . 795 ALA C . 17332 1 142 . 1 1 15 15 ALA CA C 13 52.478 0.2 . 1 . . . . 795 ALA CA . 17332 1 143 . 1 1 15 15 ALA CB C 13 19.436 0.2 . 1 . . . . 795 ALA CB . 17332 1 144 . 1 1 15 15 ALA N N 15 124.330 0.2 . 1 . . . . 795 ALA N . 17332 1 145 . 1 1 16 16 GLY H H 1 8.444 0.02 . 1 . . . . 796 GLY H . 17332 1 146 . 1 1 16 16 GLY HA2 H 1 3.767 0.02 . 1 . . . . 796 GLY HA2 . 17332 1 147 . 1 1 16 16 GLY HA3 H 1 4.072 0.02 . 1 . . . . 796 GLY HA3 . 17332 1 148 . 1 1 16 16 GLY C C 13 175.470 0.2 . 1 . . . . 796 GLY C . 17332 1 149 . 1 1 16 16 GLY CA C 13 45.212 0.008 . 1 . . . . 796 GLY CA . 17332 1 150 . 1 1 16 16 GLY N N 15 109.365 0.2 . 1 . . . . 796 GLY N . 17332 1 151 . 1 1 17 17 ARG H H 1 8.134 0.02 . 1 . . . . 797 ARG H . 17332 1 152 . 1 1 17 17 ARG HA H 1 3.861 0.02 . 1 . . . . 797 ARG HA . 17332 1 153 . 1 1 17 17 ARG HB2 H 1 1.384 0.02 . 1 . . . . 797 ARG HB2 . 17332 1 154 . 1 1 17 17 ARG HB3 H 1 1.140 0.02 . 1 . . . . 797 ARG HB3 . 17332 1 155 . 1 1 17 17 ARG HG2 H 1 1.053 0.02 . 1 . . . . 797 ARG HG2 . 17332 1 156 . 1 1 17 17 ARG HG3 H 1 1.053 0.02 . 1 . . . . 797 ARG HG3 . 17332 1 157 . 1 1 17 17 ARG HD2 H 1 2.939 0.02 . 1 . . . . 797 ARG HD2 . 17332 1 158 . 1 1 17 17 ARG HD3 H 1 2.858 0.02 . 1 . . . . 797 ARG HD3 . 17332 1 159 . 1 1 17 17 ARG HE H 1 7.370 0.02 . 1 . . . . 797 ARG HE . 17332 1 160 . 1 1 17 17 ARG HH11 H 1 6.707 0.02 . 1 . . . . 797 ARG HH11 . 17332 1 161 . 1 1 17 17 ARG HH12 H 1 6.707 0.02 . 1 . . . . 797 ARG HH12 . 17332 1 162 . 1 1 17 17 ARG HH21 H 1 6.707 0.02 . 1 . . . . 797 ARG HH21 . 17332 1 163 . 1 1 17 17 ARG HH22 H 1 6.707 0.02 . 1 . . . . 797 ARG HH22 . 17332 1 164 . 1 1 17 17 ARG C C 13 177.139 0.2 . 1 . . . . 797 ARG C . 17332 1 165 . 1 1 17 17 ARG CA C 13 58.257 0.2 . 1 . . . . 797 ARG CA . 17332 1 166 . 1 1 17 17 ARG CB C 13 30.617 0.001 . 1 . . . . 797 ARG CB . 17332 1 167 . 1 1 17 17 ARG CG C 13 26.650 0.2 . 1 . . . . 797 ARG CG . 17332 1 168 . 1 1 17 17 ARG CD C 13 43.332 0.2 . 1 . . . . 797 ARG CD . 17332 1 169 . 1 1 17 17 ARG N N 15 121.150 0.2 . 1 . . . . 797 ARG N . 17332 1 170 . 1 1 17 17 ARG NE N 15 84.903 0.2 . 1 . . . . 797 ARG NE . 17332 1 171 . 1 1 17 17 ARG NH1 N 15 71.567 0.2 . 1 . . . . 797 ARG NH1 . 17332 1 172 . 1 1 17 17 ARG NH2 N 15 71.567 0.2 . 1 . . . . 797 ARG NH2 . 17332 1 173 . 1 1 18 18 TYR H H 1 8.365 0.02 . 1 . . . . 798 TYR H . 17332 1 174 . 1 1 18 18 TYR HA H 1 5.008 0.02 . 1 . . . . 798 TYR HA . 17332 1 175 . 1 1 18 18 TYR HB2 H 1 3.344 0.02 . 1 . . . . 798 TYR HB2 . 17332 1 176 . 1 1 18 18 TYR HB3 H 1 2.742 0.02 . 1 . . . . 798 TYR HB3 . 17332 1 177 . 1 1 18 18 TYR HD1 H 1 6.925 0.02 . 3 . . . . 798 TYR HD1 . 17332 1 178 . 1 1 18 18 TYR HD2 H 1 6.925 0.02 . 3 . . . . 798 TYR HD2 . 17332 1 179 . 1 1 18 18 TYR HE1 H 1 6.536 0.02 . 3 . . . . 798 TYR HE1 . 17332 1 180 . 1 1 18 18 TYR HE2 H 1 6.536 0.02 . 3 . . . . 798 TYR HE2 . 17332 1 181 . 1 1 18 18 TYR C C 13 177.157 0.2 . 1 . . . . 798 TYR C . 17332 1 182 . 1 1 18 18 TYR CA C 13 55.847 0.2 . 1 . . . . 798 TYR CA . 17332 1 183 . 1 1 18 18 TYR CB C 13 37.785 0.002 . 1 . . . . 798 TYR CB . 17332 1 184 . 1 1 18 18 TYR CD1 C 13 132.865 0.2 . 3 . . . . 798 TYR CD1 . 17332 1 185 . 1 1 18 18 TYR CD2 C 13 132.865 0.2 . 3 . . . . 798 TYR CD2 . 17332 1 186 . 1 1 18 18 TYR CE1 C 13 118.600 0.2 . 3 . . . . 798 TYR CE1 . 17332 1 187 . 1 1 18 18 TYR CE2 C 13 118.600 0.2 . 3 . . . . 798 TYR CE2 . 17332 1 188 . 1 1 18 18 TYR N N 15 116.836 0.2 . 1 . . . . 798 TYR N . 17332 1 189 . 1 1 19 19 ASP H H 1 7.567 0.02 . 1 . . . . 799 ASP H . 17332 1 190 . 1 1 19 19 ASP HA H 1 4.236 0.02 . 1 . . . . 799 ASP HA . 17332 1 191 . 1 1 19 19 ASP HB2 H 1 2.643 0.02 . 1 . . . . 799 ASP HB2 . 17332 1 192 . 1 1 19 19 ASP HB3 H 1 2.599 0.02 . 1 . . . . 799 ASP HB3 . 17332 1 193 . 1 1 19 19 ASP C C 13 177.414 0.2 . 1 . . . . 799 ASP C . 17332 1 194 . 1 1 19 19 ASP CA C 13 57.748 0.2 . 1 . . . . 799 ASP CA . 17332 1 195 . 1 1 19 19 ASP CB C 13 40.053 0.2 . 1 . . . . 799 ASP CB . 17332 1 196 . 1 1 19 19 ASP N N 15 121.878 0.2 . 1 . . . . 799 ASP N . 17332 1 197 . 1 1 20 20 GLN H H 1 8.449 0.02 . 1 . . . . 800 GLN H . 17332 1 198 . 1 1 20 20 GLN HA H 1 4.072 0.02 . 1 . . . . 800 GLN HA . 17332 1 199 . 1 1 20 20 GLN HB2 H 1 2.032 0.02 . 1 . . . . 800 GLN HB2 . 17332 1 200 . 1 1 20 20 GLN HB3 H 1 2.032 0.02 . 1 . . . . 800 GLN HB3 . 17332 1 201 . 1 1 20 20 GLN HG2 H 1 2.368 0.02 . 1 . . . . 800 GLN HG2 . 17332 1 202 . 1 1 20 20 GLN HG3 H 1 2.301 0.02 . 1 . . . . 800 GLN HG3 . 17332 1 203 . 1 1 20 20 GLN HE21 H 1 7.473 0.02 . 1 . . . . 800 GLN HE21 . 17332 1 204 . 1 1 20 20 GLN HE22 H 1 6.798 0.02 . 1 . . . . 800 GLN HE22 . 17332 1 205 . 1 1 20 20 GLN C C 13 178.736 0.2 . 1 . . . . 800 GLN C . 17332 1 206 . 1 1 20 20 GLN CA C 13 59.192 0.2 . 1 . . . . 800 GLN CA . 17332 1 207 . 1 1 20 20 GLN CB C 13 28.007 0.2 . 1 . . . . 800 GLN CB . 17332 1 208 . 1 1 20 20 GLN CG C 13 34.143 0.001 . 1 . . . . 800 GLN CG . 17332 1 209 . 1 1 20 20 GLN N N 15 119.231 0.2 . 1 . . . . 800 GLN N . 17332 1 210 . 1 1 20 20 GLN NE2 N 15 112.465 0.2 . 1 . . . . 800 GLN NE2 . 17332 1 211 . 1 1 21 21 ALA H H 1 8.238 0.02 . 1 . . . . 801 ALA H . 17332 1 212 . 1 1 21 21 ALA HA H 1 4.176 0.02 . 1 . . . . 801 ALA HA . 17332 1 213 . 1 1 21 21 ALA HB1 H 1 1.537 0.02 . 1 . . . . 801 ALA HB1 . 17332 1 214 . 1 1 21 21 ALA HB2 H 1 1.537 0.02 . 1 . . . . 801 ALA HB2 . 17332 1 215 . 1 1 21 21 ALA HB3 H 1 1.537 0.02 . 1 . . . . 801 ALA HB3 . 17332 1 216 . 1 1 21 21 ALA C C 13 180.530 0.2 . 1 . . . . 801 ALA C . 17332 1 217 . 1 1 21 21 ALA CA C 13 54.997 0.2 . 1 . . . . 801 ALA CA . 17332 1 218 . 1 1 21 21 ALA CB C 13 20.014 0.2 . 1 . . . . 801 ALA CB . 17332 1 219 . 1 1 21 21 ALA N N 15 122.613 0.2 . 1 . . . . 801 ALA N . 17332 1 220 . 1 1 22 22 THR H H 1 8.413 0.02 . 1 . . . . 802 THR H . 17332 1 221 . 1 1 22 22 THR HA H 1 3.729 0.02 . 1 . . . . 802 THR HA . 17332 1 222 . 1 1 22 22 THR HB H 1 4.134 0.02 . 1 . . . . 802 THR HB . 17332 1 223 . 1 1 22 22 THR HG21 H 1 1.163 0.02 . 1 . . . . 802 THR HG21 . 17332 1 224 . 1 1 22 22 THR HG22 H 1 1.163 0.02 . 1 . . . . 802 THR HG22 . 17332 1 225 . 1 1 22 22 THR HG23 H 1 1.163 0.02 . 1 . . . . 802 THR HG23 . 17332 1 226 . 1 1 22 22 THR C C 13 176.248 0.2 . 1 . . . . 802 THR C . 17332 1 227 . 1 1 22 22 THR CA C 13 66.637 0.2 . 1 . . . . 802 THR CA . 17332 1 228 . 1 1 22 22 THR CB C 13 67.999 0.2 . 1 . . . . 802 THR CB . 17332 1 229 . 1 1 22 22 THR CG2 C 13 22.340 0.2 . 1 . . . . 802 THR CG2 . 17332 1 230 . 1 1 22 22 THR N N 15 111.425 0.2 . 1 . . . . 802 THR N . 17332 1 231 . 1 1 23 23 ASP H H 1 8.218 0.02 . 1 . . . . 803 ASP H . 17332 1 232 . 1 1 23 23 ASP HA H 1 4.376 0.02 . 1 . . . . 803 ASP HA . 17332 1 233 . 1 1 23 23 ASP HB2 H 1 2.808 0.02 . 1 . . . . 803 ASP HB2 . 17332 1 234 . 1 1 23 23 ASP HB3 H 1 2.635 0.02 . 1 . . . . 803 ASP HB3 . 17332 1 235 . 1 1 23 23 ASP C C 13 179.508 0.2 . 1 . . . . 803 ASP C . 17332 1 236 . 1 1 23 23 ASP CA C 13 57.838 0.2 . 1 . . . . 803 ASP CA . 17332 1 237 . 1 1 23 23 ASP CB C 13 40.719 0.001 . 1 . . . . 803 ASP CB . 17332 1 238 . 1 1 23 23 ASP N N 15 122.316 0.2 . 1 . . . . 803 ASP N . 17332 1 239 . 1 1 24 24 THR H H 1 7.947 0.02 . 1 . . . . 804 THR H . 17332 1 240 . 1 1 24 24 THR HA H 1 3.869 0.02 . 1 . . . . 804 THR HA . 17332 1 241 . 1 1 24 24 THR HB H 1 4.331 0.02 . 1 . . . . 804 THR HB . 17332 1 242 . 1 1 24 24 THR HG21 H 1 1.091 0.02 . 1 . . . . 804 THR HG21 . 17332 1 243 . 1 1 24 24 THR HG22 H 1 1.091 0.02 . 1 . . . . 804 THR HG22 . 17332 1 244 . 1 1 24 24 THR HG23 H 1 1.091 0.02 . 1 . . . . 804 THR HG23 . 17332 1 245 . 1 1 24 24 THR C C 13 175.486 0.2 . 1 . . . . 804 THR C . 17332 1 246 . 1 1 24 24 THR CA C 13 67.259 0.2 . 1 . . . . 804 THR CA . 17332 1 247 . 1 1 24 24 THR CB C 13 68.544 0.2 . 1 . . . . 804 THR CB . 17332 1 248 . 1 1 24 24 THR CG2 C 13 21.426 0.2 . 1 . . . . 804 THR CG2 . 17332 1 249 . 1 1 24 24 THR N N 15 117.876 0.2 . 1 . . . . 804 THR N . 17332 1 250 . 1 1 25 25 ILE H H 1 7.882 0.02 . 1 . . . . 805 ILE H . 17332 1 251 . 1 1 25 25 ILE HA H 1 3.294 0.02 . 1 . . . . 805 ILE HA . 17332 1 252 . 1 1 25 25 ILE HB H 1 1.850 0.02 . 1 . . . . 805 ILE HB . 17332 1 253 . 1 1 25 25 ILE HG12 H 1 0.852 0.02 . 1 . . . . 805 ILE HG12 . 17332 1 254 . 1 1 25 25 ILE HG13 H 1 1.697 0.02 . 1 . . . . 805 ILE HG13 . 17332 1 255 . 1 1 25 25 ILE HG21 H 1 0.730 0.02 . 1 . . . . 805 ILE HG21 . 17332 1 256 . 1 1 25 25 ILE HG22 H 1 0.730 0.02 . 1 . . . . 805 ILE HG22 . 17332 1 257 . 1 1 25 25 ILE HG23 H 1 0.730 0.02 . 1 . . . . 805 ILE HG23 . 17332 1 258 . 1 1 25 25 ILE HD11 H 1 0.715 0.02 . 1 . . . . 805 ILE HD11 . 17332 1 259 . 1 1 25 25 ILE HD12 H 1 0.715 0.02 . 1 . . . . 805 ILE HD12 . 17332 1 260 . 1 1 25 25 ILE HD13 H 1 0.715 0.02 . 1 . . . . 805 ILE HD13 . 17332 1 261 . 1 1 25 25 ILE C C 13 178.735 0.2 . 1 . . . . 805 ILE C . 17332 1 262 . 1 1 25 25 ILE CA C 13 66.248 0.2 . 1 . . . . 805 ILE CA . 17332 1 263 . 1 1 25 25 ILE CB C 13 38.436 0.2 . 1 . . . . 805 ILE CB . 17332 1 264 . 1 1 25 25 ILE CG1 C 13 30.485 0.005 . 1 . . . . 805 ILE CG1 . 17332 1 265 . 1 1 25 25 ILE CG2 C 13 16.752 0.2 . 1 . . . . 805 ILE CG2 . 17332 1 266 . 1 1 25 25 ILE CD1 C 13 15.605 0.2 . 1 . . . . 805 ILE CD1 . 17332 1 267 . 1 1 25 25 ILE N N 15 121.793 0.2 . 1 . . . . 805 ILE N . 17332 1 268 . 1 1 26 26 LEU H H 1 8.460 0.02 . 1 . . . . 806 LEU H . 17332 1 269 . 1 1 26 26 LEU HA H 1 3.946 0.02 . 1 . . . . 806 LEU HA . 17332 1 270 . 1 1 26 26 LEU HB2 H 1 1.953 0.02 . 1 . . . . 806 LEU HB2 . 17332 1 271 . 1 1 26 26 LEU HB3 H 1 1.479 0.02 . 1 . . . . 806 LEU HB3 . 17332 1 272 . 1 1 26 26 LEU HG H 1 1.862 0.02 . 1 . . . . 806 LEU HG . 17332 1 273 . 1 1 26 26 LEU HD11 H 1 0.805 0.02 . 1 . . . . 806 LEU HD11 . 17332 1 274 . 1 1 26 26 LEU HD12 H 1 0.805 0.02 . 1 . . . . 806 LEU HD12 . 17332 1 275 . 1 1 26 26 LEU HD13 H 1 0.805 0.02 . 1 . . . . 806 LEU HD13 . 17332 1 276 . 1 1 26 26 LEU HD21 H 1 0.863 0.02 . 1 . . . . 806 LEU HD21 . 17332 1 277 . 1 1 26 26 LEU HD22 H 1 0.863 0.02 . 1 . . . . 806 LEU HD22 . 17332 1 278 . 1 1 26 26 LEU HD23 H 1 0.863 0.02 . 1 . . . . 806 LEU HD23 . 17332 1 279 . 1 1 26 26 LEU C C 13 179.843 0.2 . 1 . . . . 806 LEU C . 17332 1 280 . 1 1 26 26 LEU CA C 13 58.463 0.2 . 1 . . . . 806 LEU CA . 17332 1 281 . 1 1 26 26 LEU CB C 13 40.694 0.001 . 1 . . . . 806 LEU CB . 17332 1 282 . 1 1 26 26 LEU CG C 13 26.865 0.2 . 1 . . . . 806 LEU CG . 17332 1 283 . 1 1 26 26 LEU CD1 C 13 22.351 0.2 . 1 . . . . 806 LEU CD1 . 17332 1 284 . 1 1 26 26 LEU CD2 C 13 25.179 0.2 . 1 . . . . 806 LEU CD2 . 17332 1 285 . 1 1 26 26 LEU N N 15 121.018 0.2 . 1 . . . . 806 LEU N . 17332 1 286 . 1 1 27 27 THR H H 1 8.291 0.02 . 1 . . . . 807 THR H . 17332 1 287 . 1 1 27 27 THR HA H 1 3.900 0.02 . 1 . . . . 807 THR HA . 17332 1 288 . 1 1 27 27 THR HB H 1 4.302 0.02 . 1 . . . . 807 THR HB . 17332 1 289 . 1 1 27 27 THR HG21 H 1 1.171 0.02 . 1 . . . . 807 THR HG21 . 17332 1 290 . 1 1 27 27 THR HG22 H 1 1.171 0.02 . 1 . . . . 807 THR HG22 . 17332 1 291 . 1 1 27 27 THR HG23 H 1 1.171 0.02 . 1 . . . . 807 THR HG23 . 17332 1 292 . 1 1 27 27 THR C C 13 176.270 0.2 . 1 . . . . 807 THR C . 17332 1 293 . 1 1 27 27 THR CA C 13 66.908 0.2 . 1 . . . . 807 THR CA . 17332 1 294 . 1 1 27 27 THR CB C 13 68.823 0.2 . 1 . . . . 807 THR CB . 17332 1 295 . 1 1 27 27 THR CG2 C 13 21.420 0.2 . 1 . . . . 807 THR CG2 . 17332 1 296 . 1 1 27 27 THR N N 15 118.417 0.2 . 1 . . . . 807 THR N . 17332 1 297 . 1 1 28 28 VAL H H 1 8.541 0.02 . 1 . . . . 808 VAL H . 17332 1 298 . 1 1 28 28 VAL HA H 1 3.642 0.02 . 1 . . . . 808 VAL HA . 17332 1 299 . 1 1 28 28 VAL HB H 1 1.967 0.02 . 1 . . . . 808 VAL HB . 17332 1 300 . 1 1 28 28 VAL HG11 H 1 1.002 0.02 . 1 . . . . 808 VAL HG11 . 17332 1 301 . 1 1 28 28 VAL HG12 H 1 1.002 0.02 . 1 . . . . 808 VAL HG12 . 17332 1 302 . 1 1 28 28 VAL HG13 H 1 1.002 0.02 . 1 . . . . 808 VAL HG13 . 17332 1 303 . 1 1 28 28 VAL HG21 H 1 1.009 0.02 . 1 . . . . 808 VAL HG21 . 17332 1 304 . 1 1 28 28 VAL HG22 H 1 1.009 0.02 . 1 . . . . 808 VAL HG22 . 17332 1 305 . 1 1 28 28 VAL HG23 H 1 1.009 0.02 . 1 . . . . 808 VAL HG23 . 17332 1 306 . 1 1 28 28 VAL C C 13 178.149 0.2 . 1 . . . . 808 VAL C . 17332 1 307 . 1 1 28 28 VAL CA C 13 66.739 0.2 . 1 . . . . 808 VAL CA . 17332 1 308 . 1 1 28 28 VAL CB C 13 31.154 0.2 . 1 . . . . 808 VAL CB . 17332 1 309 . 1 1 28 28 VAL CG1 C 13 23.259 0.2 . 1 . . . . 808 VAL CG1 . 17332 1 310 . 1 1 28 28 VAL CG2 C 13 23.568 0.2 . 1 . . . . 808 VAL CG2 . 17332 1 311 . 1 1 28 28 VAL N N 15 122.390 0.2 . 1 . . . . 808 VAL N . 17332 1 312 . 1 1 29 29 THR H H 1 7.971 0.02 . 1 . . . . 809 THR H . 17332 1 313 . 1 1 29 29 THR HA H 1 3.571 0.02 . 1 . . . . 809 THR HA . 17332 1 314 . 1 1 29 29 THR HB H 1 4.224 0.02 . 1 . . . . 809 THR HB . 17332 1 315 . 1 1 29 29 THR HG21 H 1 1.168 0.02 . 1 . . . . 809 THR HG21 . 17332 1 316 . 1 1 29 29 THR HG22 H 1 1.168 0.02 . 1 . . . . 809 THR HG22 . 17332 1 317 . 1 1 29 29 THR HG23 H 1 1.168 0.02 . 1 . . . . 809 THR HG23 . 17332 1 318 . 1 1 29 29 THR C C 13 176.043 0.2 . 1 . . . . 809 THR C . 17332 1 319 . 1 1 29 29 THR CA C 13 68.745 0.2 . 1 . . . . 809 THR CA . 17332 1 320 . 1 1 29 29 THR CB C 13 68.012 0.2 . 1 . . . . 809 THR CB . 17332 1 321 . 1 1 29 29 THR CG2 C 13 21.750 0.2 . 1 . . . . 809 THR CG2 . 17332 1 322 . 1 1 29 29 THR N N 15 115.165 0.2 . 1 . . . . 809 THR N . 17332 1 323 . 1 1 30 30 GLU H H 1 7.443 0.02 . 1 . . . . 810 GLU H . 17332 1 324 . 1 1 30 30 GLU HA H 1 4.142 0.02 . 1 . . . . 810 GLU HA . 17332 1 325 . 1 1 30 30 GLU HB2 H 1 2.117 0.02 . 1 . . . . 810 GLU HB2 . 17332 1 326 . 1 1 30 30 GLU HB3 H 1 2.172 0.02 . 1 . . . . 810 GLU HB3 . 17332 1 327 . 1 1 30 30 GLU HG2 H 1 2.363 0.02 . 1 . . . . 810 GLU HG2 . 17332 1 328 . 1 1 30 30 GLU HG3 H 1 2.317 0.02 . 1 . . . . 810 GLU HG3 . 17332 1 329 . 1 1 30 30 GLU C C 13 179.344 0.2 . 1 . . . . 810 GLU C . 17332 1 330 . 1 1 30 30 GLU CA C 13 59.313 0.2 . 1 . . . . 810 GLU CA . 17332 1 331 . 1 1 30 30 GLU CB C 13 28.786 0.001 . 1 . . . . 810 GLU CB . 17332 1 332 . 1 1 30 30 GLU CG C 13 35.778 0.004 . 1 . . . . 810 GLU CG . 17332 1 333 . 1 1 30 30 GLU N N 15 119.362 0.2 . 1 . . . . 810 GLU N . 17332 1 334 . 1 1 31 31 ASN H H 1 8.153 0.02 . 1 . . . . 811 ASN H . 17332 1 335 . 1 1 31 31 ASN HA H 1 4.474 0.02 . 1 . . . . 811 ASN HA . 17332 1 336 . 1 1 31 31 ASN HB2 H 1 3.110 0.02 . 1 . . . . 811 ASN HB2 . 17332 1 337 . 1 1 31 31 ASN HB3 H 1 2.675 0.02 . 1 . . . . 811 ASN HB3 . 17332 1 338 . 1 1 31 31 ASN HD21 H 1 7.101 0.02 . 1 . . . . 811 ASN HD21 . 17332 1 339 . 1 1 31 31 ASN HD22 H 1 6.784 0.02 . 1 . . . . 811 ASN HD22 . 17332 1 340 . 1 1 31 31 ASN C C 13 178.708 0.2 . 1 . . . . 811 ASN C . 17332 1 341 . 1 1 31 31 ASN CA C 13 55.188 0.2 . 1 . . . . 811 ASN CA . 17332 1 342 . 1 1 31 31 ASN CB C 13 37.478 0.005 . 1 . . . . 811 ASN CB . 17332 1 343 . 1 1 31 31 ASN N N 15 119.160 0.2 . 1 . . . . 811 ASN N . 17332 1 344 . 1 1 31 31 ASN ND2 N 15 109.453 0.2 . 1 . . . . 811 ASN ND2 . 17332 1 345 . 1 1 32 32 ILE H H 1 8.062 0.02 . 1 . . . . 812 ILE H . 17332 1 346 . 1 1 32 32 ILE HA H 1 3.362 0.02 . 1 . . . . 812 ILE HA . 17332 1 347 . 1 1 32 32 ILE HB H 1 1.967 0.02 . 1 . . . . 812 ILE HB . 17332 1 348 . 1 1 32 32 ILE HG12 H 1 0.867 0.02 . 1 . . . . 812 ILE HG12 . 17332 1 349 . 1 1 32 32 ILE HG13 H 1 1.843 0.02 . 1 . . . . 812 ILE HG13 . 17332 1 350 . 1 1 32 32 ILE HG21 H 1 0.493 0.02 . 1 . . . . 812 ILE HG21 . 17332 1 351 . 1 1 32 32 ILE HG22 H 1 0.493 0.02 . 1 . . . . 812 ILE HG22 . 17332 1 352 . 1 1 32 32 ILE HG23 H 1 0.493 0.02 . 1 . . . . 812 ILE HG23 . 17332 1 353 . 1 1 32 32 ILE HD11 H 1 0.640 0.02 . 1 . . . . 812 ILE HD11 . 17332 1 354 . 1 1 32 32 ILE HD12 H 1 0.640 0.02 . 1 . . . . 812 ILE HD12 . 17332 1 355 . 1 1 32 32 ILE HD13 H 1 0.640 0.02 . 1 . . . . 812 ILE HD13 . 17332 1 356 . 1 1 32 32 ILE C C 13 176.869 0.2 . 1 . . . . 812 ILE C . 17332 1 357 . 1 1 32 32 ILE CA C 13 66.708 0.2 . 1 . . . . 812 ILE CA . 17332 1 358 . 1 1 32 32 ILE CB C 13 37.199 0.2 . 1 . . . . 812 ILE CB . 17332 1 359 . 1 1 32 32 ILE CG1 C 13 30.766 0.001 . 1 . . . . 812 ILE CG1 . 17332 1 360 . 1 1 32 32 ILE CG2 C 13 17.231 0.2 . 1 . . . . 812 ILE CG2 . 17332 1 361 . 1 1 32 32 ILE CD1 C 13 14.195 0.2 . 1 . . . . 812 ILE CD1 . 17332 1 362 . 1 1 32 32 ILE N N 15 122.709 0.2 . 1 . . . . 812 ILE N . 17332 1 363 . 1 1 33 33 PHE H H 1 7.273 0.02 . 1 . . . . 813 PHE H . 17332 1 364 . 1 1 33 33 PHE HA H 1 4.063 0.02 . 1 . . . . 813 PHE HA . 17332 1 365 . 1 1 33 33 PHE HB2 H 1 3.142 0.02 . 1 . . . . 813 PHE HB2 . 17332 1 366 . 1 1 33 33 PHE HB3 H 1 3.179 0.02 . 1 . . . . 813 PHE HB3 . 17332 1 367 . 1 1 33 33 PHE HD1 H 1 7.337 0.02 . 3 . . . . 813 PHE HD1 . 17332 1 368 . 1 1 33 33 PHE HD2 H 1 7.337 0.02 . 3 . . . . 813 PHE HD2 . 17332 1 369 . 1 1 33 33 PHE HE1 H 1 7.128 0.02 . 3 . . . . 813 PHE HE1 . 17332 1 370 . 1 1 33 33 PHE HE2 H 1 7.128 0.02 . 3 . . . . 813 PHE HE2 . 17332 1 371 . 1 1 33 33 PHE HZ H 1 7.032 0.02 . 1 . . . . 813 PHE HZ . 17332 1 372 . 1 1 33 33 PHE C C 13 179.442 0.2 . 1 . . . . 813 PHE C . 17332 1 373 . 1 1 33 33 PHE CA C 13 61.613 0.2 . 1 . . . . 813 PHE CA . 17332 1 374 . 1 1 33 33 PHE CB C 13 38.415 0.2 . 1 . . . . 813 PHE CB . 17332 1 375 . 1 1 33 33 PHE CD1 C 13 132.168 0.2 . 3 . . . . 813 PHE CD1 . 17332 1 376 . 1 1 33 33 PHE CD2 C 13 132.168 0.2 . 3 . . . . 813 PHE CD2 . 17332 1 377 . 1 1 33 33 PHE CE1 C 13 131.254 0.2 . 3 . . . . 813 PHE CE1 . 17332 1 378 . 1 1 33 33 PHE CE2 C 13 131.254 0.2 . 3 . . . . 813 PHE CE2 . 17332 1 379 . 1 1 33 33 PHE CZ C 13 129.315 0.2 . 1 . . . . 813 PHE CZ . 17332 1 380 . 1 1 33 33 PHE N N 15 116.316 0.2 . 1 . . . . 813 PHE N . 17332 1 381 . 1 1 34 34 SER H H 1 8.520 0.02 . 1 . . . . 814 SER H . 17332 1 382 . 1 1 34 34 SER HA H 1 4.352 0.02 . 1 . . . . 814 SER HA . 17332 1 383 . 1 1 34 34 SER HB2 H 1 3.960 0.02 . 1 . . . . 814 SER HB2 . 17332 1 384 . 1 1 34 34 SER HB3 H 1 4.029 0.02 . 1 . . . . 814 SER HB3 . 17332 1 385 . 1 1 34 34 SER C C 13 175.067 0.2 . 1 . . . . 814 SER C . 17332 1 386 . 1 1 34 34 SER CA C 13 60.581 0.2 . 1 . . . . 814 SER CA . 17332 1 387 . 1 1 34 34 SER CB C 13 63.017 0.001 . 1 . . . . 814 SER CB . 17332 1 388 . 1 1 34 34 SER N N 15 114.882 0.2 . 1 . . . . 814 SER N . 17332 1 389 . 1 1 35 35 SER H H 1 7.455 0.02 . 1 . . . . 815 SER H . 17332 1 390 . 1 1 35 35 SER HA H 1 4.548 0.02 . 1 . . . . 815 SER HA . 17332 1 391 . 1 1 35 35 SER HB2 H 1 3.943 0.02 . 1 . . . . 815 SER HB2 . 17332 1 392 . 1 1 35 35 SER HB3 H 1 3.773 0.02 . 1 . . . . 815 SER HB3 . 17332 1 393 . 1 1 35 35 SER C C 13 172.702 0.2 . 1 . . . . 815 SER C . 17332 1 394 . 1 1 35 35 SER CA C 13 58.341 0.2 . 1 . . . . 815 SER CA . 17332 1 395 . 1 1 35 35 SER CB C 13 63.682 0.013 . 1 . . . . 815 SER CB . 17332 1 396 . 1 1 35 35 SER N N 15 115.816 0.2 . 1 . . . . 815 SER N . 17332 1 397 . 1 1 36 36 MET H H 1 7.041 0.02 . 1 . . . . 816 MET H . 17332 1 398 . 1 1 36 36 MET HA H 1 4.458 0.02 . 1 . . . . 816 MET HA . 17332 1 399 . 1 1 36 36 MET HB2 H 1 2.075 0.02 . 1 . . . . 816 MET HB2 . 17332 1 400 . 1 1 36 36 MET HB3 H 1 2.020 0.02 . 1 . . . . 816 MET HB3 . 17332 1 401 . 1 1 36 36 MET HG2 H 1 2.607 0.02 . 1 . . . . 816 MET HG2 . 17332 1 402 . 1 1 36 36 MET HG3 H 1 2.607 0.02 . 1 . . . . 816 MET HG3 . 17332 1 403 . 1 1 36 36 MET HE1 H 1 1.994 0.02 . 1 . . . . 816 MET HE1 . 17332 1 404 . 1 1 36 36 MET HE2 H 1 1.994 0.02 . 1 . . . . 816 MET HE2 . 17332 1 405 . 1 1 36 36 MET HE3 H 1 1.994 0.02 . 1 . . . . 816 MET HE3 . 17332 1 406 . 1 1 36 36 MET C C 13 176.655 0.2 . 1 . . . . 816 MET C . 17332 1 407 . 1 1 36 36 MET CA C 13 57.268 0.2 . 1 . . . . 816 MET CA . 17332 1 408 . 1 1 36 36 MET CB C 13 31.794 0.003 . 1 . . . . 816 MET CB . 17332 1 409 . 1 1 36 36 MET CG C 13 31.905 0.2 . 1 . . . . 816 MET CG . 17332 1 410 . 1 1 36 36 MET CE C 13 16.754 0.2 . 1 . . . . 816 MET CE . 17332 1 411 . 1 1 36 36 MET N N 15 119.612 0.2 . 1 . . . . 816 MET N . 17332 1 412 . 1 1 37 37 GLY H H 1 8.114 0.02 . 1 . . . . 817 GLY H . 17332 1 413 . 1 1 37 37 GLY HA2 H 1 4.224 0.02 . 1 . . . . 817 GLY HA2 . 17332 1 414 . 1 1 37 37 GLY HA3 H 1 3.674 0.02 . 1 . . . . 817 GLY HA3 . 17332 1 415 . 1 1 37 37 GLY C C 13 173.458 0.2 . 1 . . . . 817 GLY C . 17332 1 416 . 1 1 37 37 GLY CA C 13 45.126 0.005 . 1 . . . . 817 GLY CA . 17332 1 417 . 1 1 37 37 GLY N N 15 112.696 0.2 . 1 . . . . 817 GLY N . 17332 1 418 . 1 1 38 38 ASP H H 1 8.210 0.02 . 1 . . . . 818 ASP H . 17332 1 419 . 1 1 38 38 ASP HA H 1 4.784 0.02 . 1 . . . . 818 ASP HA . 17332 1 420 . 1 1 38 38 ASP HB2 H 1 3.107 0.02 . 1 . . . . 818 ASP HB2 . 17332 1 421 . 1 1 38 38 ASP HB3 H 1 2.301 0.02 . 1 . . . . 818 ASP HB3 . 17332 1 422 . 1 1 38 38 ASP C C 13 174.888 0.2 . 1 . . . . 818 ASP C . 17332 1 423 . 1 1 38 38 ASP CA C 13 52.046 0.2 . 1 . . . . 818 ASP CA . 17332 1 424 . 1 1 38 38 ASP CB C 13 40.893 0.003 . 1 . . . . 818 ASP CB . 17332 1 425 . 1 1 38 38 ASP N N 15 122.201 0.2 . 1 . . . . 818 ASP N . 17332 1 426 . 1 1 39 39 ALA H H 1 8.585 0.02 . 1 . . . . 819 ALA H . 17332 1 427 . 1 1 39 39 ALA HA H 1 3.857 0.02 . 1 . . . . 819 ALA HA . 17332 1 428 . 1 1 39 39 ALA HB1 H 1 1.390 0.02 . 1 . . . . 819 ALA HB1 . 17332 1 429 . 1 1 39 39 ALA HB2 H 1 1.390 0.02 . 1 . . . . 819 ALA HB2 . 17332 1 430 . 1 1 39 39 ALA HB3 H 1 1.390 0.02 . 1 . . . . 819 ALA HB3 . 17332 1 431 . 1 1 39 39 ALA C C 13 179.940 0.2 . 1 . . . . 819 ALA C . 17332 1 432 . 1 1 39 39 ALA CA C 13 55.800 0.2 . 1 . . . . 819 ALA CA . 17332 1 433 . 1 1 39 39 ALA CB C 13 18.993 0.2 . 1 . . . . 819 ALA CB . 17332 1 434 . 1 1 39 39 ALA N N 15 126.677 0.2 . 1 . . . . 819 ALA N . 17332 1 435 . 1 1 40 40 GLY H H 1 8.415 0.02 . 1 . . . . 820 GLY H . 17332 1 436 . 1 1 40 40 GLY HA2 H 1 3.668 0.02 . 1 . . . . 820 GLY HA2 . 17332 1 437 . 1 1 40 40 GLY HA3 H 1 3.883 0.02 . 1 . . . . 820 GLY HA3 . 17332 1 438 . 1 1 40 40 GLY C C 13 176.748 0.2 . 1 . . . . 820 GLY C . 17332 1 439 . 1 1 40 40 GLY CA C 13 46.934 0.013 . 1 . . . . 820 GLY CA . 17332 1 440 . 1 1 40 40 GLY N N 15 103.770 0.2 . 1 . . . . 820 GLY N . 17332 1 441 . 1 1 41 41 GLU H H 1 7.756 0.02 . 1 . . . . 821 GLU H . 17332 1 442 . 1 1 41 41 GLU HA H 1 4.309 0.02 . 1 . . . . 821 GLU HA . 17332 1 443 . 1 1 41 41 GLU HB2 H 1 1.817 0.02 . 1 . . . . 821 GLU HB2 . 17332 1 444 . 1 1 41 41 GLU HB3 H 1 1.943 0.02 . 1 . . . . 821 GLU HB3 . 17332 1 445 . 1 1 41 41 GLU HG2 H 1 2.384 0.02 . 1 . . . . 821 GLU HG2 . 17332 1 446 . 1 1 41 41 GLU HG3 H 1 2.214 0.02 . 1 . . . . 821 GLU HG3 . 17332 1 447 . 1 1 41 41 GLU C C 13 178.591 0.2 . 1 . . . . 821 GLU C . 17332 1 448 . 1 1 41 41 GLU CA C 13 57.593 0.2 . 1 . . . . 821 GLU CA . 17332 1 449 . 1 1 41 41 GLU CB C 13 29.587 0.002 . 1 . . . . 821 GLU CB . 17332 1 450 . 1 1 41 41 GLU CG C 13 35.231 0.002 . 1 . . . . 821 GLU CG . 17332 1 451 . 1 1 41 41 GLU N N 15 124.464 0.2 . 1 . . . . 821 GLU N . 17332 1 452 . 1 1 42 42 MET H H 1 8.478 0.02 . 1 . . . . 822 MET H . 17332 1 453 . 1 1 42 42 MET HA H 1 3.703 0.02 . 1 . . . . 822 MET HA . 17332 1 454 . 1 1 42 42 MET HB2 H 1 2.114 0.02 . 1 . . . . 822 MET HB2 . 17332 1 455 . 1 1 42 42 MET HB3 H 1 1.890 0.02 . 1 . . . . 822 MET HB3 . 17332 1 456 . 1 1 42 42 MET HG2 H 1 2.250 0.02 . 1 . . . . 822 MET HG2 . 17332 1 457 . 1 1 42 42 MET HG3 H 1 2.680 0.02 . 1 . . . . 822 MET HG3 . 17332 1 458 . 1 1 42 42 MET HE1 H 1 1.874 0.02 . 1 . . . . 822 MET HE1 . 17332 1 459 . 1 1 42 42 MET HE2 H 1 1.874 0.02 . 1 . . . . 822 MET HE2 . 17332 1 460 . 1 1 42 42 MET HE3 H 1 1.874 0.02 . 1 . . . . 822 MET HE3 . 17332 1 461 . 1 1 42 42 MET C C 13 178.391 0.2 . 1 . . . . 822 MET C . 17332 1 462 . 1 1 42 42 MET CA C 13 60.649 0.2 . 1 . . . . 822 MET CA . 17332 1 463 . 1 1 42 42 MET CB C 13 34.082 0.004 . 1 . . . . 822 MET CB . 17332 1 464 . 1 1 42 42 MET CG C 13 32.632 0.001 . 1 . . . . 822 MET CG . 17332 1 465 . 1 1 42 42 MET CE C 13 17.105 0.2 . 1 . . . . 822 MET CE . 17332 1 466 . 1 1 42 42 MET N N 15 119.423 0.2 . 1 . . . . 822 MET N . 17332 1 467 . 1 1 43 43 VAL H H 1 7.756 0.02 . 1 . . . . 823 VAL H . 17332 1 468 . 1 1 43 43 VAL HA H 1 3.469 0.02 . 1 . . . . 823 VAL HA . 17332 1 469 . 1 1 43 43 VAL HB H 1 2.035 0.02 . 1 . . . . 823 VAL HB . 17332 1 470 . 1 1 43 43 VAL HG11 H 1 0.848 0.02 . 1 . . . . 823 VAL HG11 . 17332 1 471 . 1 1 43 43 VAL HG12 H 1 0.848 0.02 . 1 . . . . 823 VAL HG12 . 17332 1 472 . 1 1 43 43 VAL HG13 H 1 0.848 0.02 . 1 . . . . 823 VAL HG13 . 17332 1 473 . 1 1 43 43 VAL HG21 H 1 0.945 0.02 . 1 . . . . 823 VAL HG21 . 17332 1 474 . 1 1 43 43 VAL HG22 H 1 0.945 0.02 . 1 . . . . 823 VAL HG22 . 17332 1 475 . 1 1 43 43 VAL HG23 H 1 0.945 0.02 . 1 . . . . 823 VAL HG23 . 17332 1 476 . 1 1 43 43 VAL C C 13 177.930 0.2 . 1 . . . . 823 VAL C . 17332 1 477 . 1 1 43 43 VAL CA C 13 66.618 0.2 . 1 . . . . 823 VAL CA . 17332 1 478 . 1 1 43 43 VAL CB C 13 31.565 0.2 . 1 . . . . 823 VAL CB . 17332 1 479 . 1 1 43 43 VAL CG1 C 13 21.044 0.2 . 1 . . . . 823 VAL CG1 . 17332 1 480 . 1 1 43 43 VAL CG2 C 13 23.253 0.2 . 1 . . . . 823 VAL CG2 . 17332 1 481 . 1 1 43 43 VAL N N 15 115.949 0.2 . 1 . . . . 823 VAL N . 17332 1 482 . 1 1 44 44 ARG H H 1 7.859 0.02 . 1 . . . . 824 ARG H . 17332 1 483 . 1 1 44 44 ARG HA H 1 3.861 0.02 . 1 . . . . 824 ARG HA . 17332 1 484 . 1 1 44 44 ARG HB2 H 1 1.881 0.02 . 1 . . . . 824 ARG HB2 . 17332 1 485 . 1 1 44 44 ARG HB3 H 1 1.881 0.02 . 1 . . . . 824 ARG HB3 . 17332 1 486 . 1 1 44 44 ARG HG2 H 1 1.649 0.02 . 1 . . . . 824 ARG HG2 . 17332 1 487 . 1 1 44 44 ARG HG3 H 1 1.292 0.02 . 1 . . . . 824 ARG HG3 . 17332 1 488 . 1 1 44 44 ARG HD2 H 1 3.223 0.02 . 1 . . . . 824 ARG HD2 . 17332 1 489 . 1 1 44 44 ARG HD3 H 1 3.066 0.02 . 1 . . . . 824 ARG HD3 . 17332 1 490 . 1 1 44 44 ARG HE H 1 8.023 0.02 . 1 . . . . 824 ARG HE . 17332 1 491 . 1 1 44 44 ARG HH11 H 1 6.844 0.02 . 1 . . . . 824 ARG HH11 . 17332 1 492 . 1 1 44 44 ARG HH12 H 1 6.844 0.02 . 1 . . . . 824 ARG HH12 . 17332 1 493 . 1 1 44 44 ARG HH21 H 1 6.844 0.02 . 1 . . . . 824 ARG HH21 . 17332 1 494 . 1 1 44 44 ARG HH22 H 1 6.844 0.02 . 1 . . . . 824 ARG HH22 . 17332 1 495 . 1 1 44 44 ARG C C 13 179.943 0.2 . 1 . . . . 824 ARG C . 17332 1 496 . 1 1 44 44 ARG CA C 13 60.366 0.2 . 1 . . . . 824 ARG CA . 17332 1 497 . 1 1 44 44 ARG CB C 13 30.956 0.2 . 1 . . . . 824 ARG CB . 17332 1 498 . 1 1 44 44 ARG CG C 13 28.597 0.002 . 1 . . . . 824 ARG CG . 17332 1 499 . 1 1 44 44 ARG CD C 13 43.164 0.001 . 1 . . . . 824 ARG CD . 17332 1 500 . 1 1 44 44 ARG N N 15 122.392 0.2 . 1 . . . . 824 ARG N . 17332 1 501 . 1 1 44 44 ARG NE N 15 83.757 0.2 . 1 . . . . 824 ARG NE . 17332 1 502 . 1 1 44 44 ARG NH1 N 15 71.504 0.2 . 1 . . . . 824 ARG NH1 . 17332 1 503 . 1 1 44 44 ARG NH2 N 15 71.504 0.2 . 1 . . . . 824 ARG NH2 . 17332 1 504 . 1 1 45 45 GLN H H 1 8.429 0.02 . 1 . . . . 825 GLN H . 17332 1 505 . 1 1 45 45 GLN HA H 1 3.902 0.02 . 1 . . . . 825 GLN HA . 17332 1 506 . 1 1 45 45 GLN HB2 H 1 2.109 0.02 . 1 . . . . 825 GLN HB2 . 17332 1 507 . 1 1 45 45 GLN HB3 H 1 1.837 0.02 . 1 . . . . 825 GLN HB3 . 17332 1 508 . 1 1 45 45 GLN HG2 H 1 2.551 0.02 . 1 . . . . 825 GLN HG2 . 17332 1 509 . 1 1 45 45 GLN HG3 H 1 2.008 0.02 . 1 . . . . 825 GLN HG3 . 17332 1 510 . 1 1 45 45 GLN HE21 H 1 6.261 0.02 . 1 . . . . 825 GLN HE21 . 17332 1 511 . 1 1 45 45 GLN HE22 H 1 7.380 0.02 . 1 . . . . 825 GLN HE22 . 17332 1 512 . 1 1 45 45 GLN C C 13 177.941 0.2 . 1 . . . . 825 GLN C . 17332 1 513 . 1 1 45 45 GLN CA C 13 58.076 0.2 . 1 . . . . 825 GLN CA . 17332 1 514 . 1 1 45 45 GLN CB C 13 28.061 0.009 . 1 . . . . 825 GLN CB . 17332 1 515 . 1 1 45 45 GLN CG C 13 33.170 0.004 . 1 . . . . 825 GLN CG . 17332 1 516 . 1 1 45 45 GLN N N 15 116.658 0.2 . 1 . . . . 825 GLN N . 17332 1 517 . 1 1 45 45 GLN NE2 N 15 110.527 0.2 . 1 . . . . 825 GLN NE2 . 17332 1 518 . 1 1 46 46 ALA H H 1 8.212 0.02 . 1 . . . . 826 ALA H . 17332 1 519 . 1 1 46 46 ALA HA H 1 3.880 0.02 . 1 . . . . 826 ALA HA . 17332 1 520 . 1 1 46 46 ALA HB1 H 1 1.421 0.02 . 1 . . . . 826 ALA HB1 . 17332 1 521 . 1 1 46 46 ALA HB2 H 1 1.421 0.02 . 1 . . . . 826 ALA HB2 . 17332 1 522 . 1 1 46 46 ALA HB3 H 1 1.421 0.02 . 1 . . . . 826 ALA HB3 . 17332 1 523 . 1 1 46 46 ALA C C 13 178.976 0.2 . 1 . . . . 826 ALA C . 17332 1 524 . 1 1 46 46 ALA CA C 13 55.363 0.2 . 1 . . . . 826 ALA CA . 17332 1 525 . 1 1 46 46 ALA CB C 13 17.627 0.2 . 1 . . . . 826 ALA CB . 17332 1 526 . 1 1 46 46 ALA N N 15 121.578 0.2 . 1 . . . . 826 ALA N . 17332 1 527 . 1 1 47 47 ARG H H 1 7.867 0.02 . 1 . . . . 827 ARG H . 17332 1 528 . 1 1 47 47 ARG HA H 1 3.997 0.02 . 1 . . . . 827 ARG HA . 17332 1 529 . 1 1 47 47 ARG HB2 H 1 1.906 0.02 . 1 . . . . 827 ARG HB2 . 17332 1 530 . 1 1 47 47 ARG HB3 H 1 1.928 0.02 . 1 . . . . 827 ARG HB3 . 17332 1 531 . 1 1 47 47 ARG HG2 H 1 1.532 0.02 . 1 . . . . 827 ARG HG2 . 17332 1 532 . 1 1 47 47 ARG HG3 H 1 1.777 0.02 . 1 . . . . 827 ARG HG3 . 17332 1 533 . 1 1 47 47 ARG HD2 H 1 3.099 0.02 . 1 . . . . 827 ARG HD2 . 17332 1 534 . 1 1 47 47 ARG HD3 H 1 3.099 0.02 . 1 . . . . 827 ARG HD3 . 17332 1 535 . 1 1 47 47 ARG HE H 1 7.329 0.02 . 1 . . . . 827 ARG HE . 17332 1 536 . 1 1 47 47 ARG C C 13 179.684 0.2 . 1 . . . . 827 ARG C . 17332 1 537 . 1 1 47 47 ARG CA C 13 59.627 0.2 . 1 . . . . 827 ARG CA . 17332 1 538 . 1 1 47 47 ARG CB C 13 29.664 0.001 . 1 . . . . 827 ARG CB . 17332 1 539 . 1 1 47 47 ARG CG C 13 27.773 0.004 . 1 . . . . 827 ARG CG . 17332 1 540 . 1 1 47 47 ARG CD C 13 43.484 0.2 . 1 . . . . 827 ARG CD . 17332 1 541 . 1 1 47 47 ARG N N 15 118.473 0.2 . 1 . . . . 827 ARG N . 17332 1 542 . 1 1 47 47 ARG NE N 15 84.020 0.2 . 1 . . . . 827 ARG NE . 17332 1 543 . 1 1 48 48 ILE H H 1 7.581 0.02 . 1 . . . . 828 ILE H . 17332 1 544 . 1 1 48 48 ILE HA H 1 3.633 0.02 . 1 . . . . 828 ILE HA . 17332 1 545 . 1 1 48 48 ILE HB H 1 1.967 0.02 . 1 . . . . 828 ILE HB . 17332 1 546 . 1 1 48 48 ILE HG12 H 1 0.964 0.02 . 1 . . . . 828 ILE HG12 . 17332 1 547 . 1 1 48 48 ILE HG13 H 1 1.711 0.02 . 1 . . . . 828 ILE HG13 . 17332 1 548 . 1 1 48 48 ILE HG21 H 1 0.844 0.02 . 1 . . . . 828 ILE HG21 . 17332 1 549 . 1 1 48 48 ILE HG22 H 1 0.844 0.02 . 1 . . . . 828 ILE HG22 . 17332 1 550 . 1 1 48 48 ILE HG23 H 1 0.844 0.02 . 1 . . . . 828 ILE HG23 . 17332 1 551 . 1 1 48 48 ILE HD11 H 1 0.721 0.02 . 1 . . . . 828 ILE HD11 . 17332 1 552 . 1 1 48 48 ILE HD12 H 1 0.721 0.02 . 1 . . . . 828 ILE HD12 . 17332 1 553 . 1 1 48 48 ILE HD13 H 1 0.721 0.02 . 1 . . . . 828 ILE HD13 . 17332 1 554 . 1 1 48 48 ILE C C 13 178.946 0.2 . 1 . . . . 828 ILE C . 17332 1 555 . 1 1 48 48 ILE CA C 13 65.321 0.2 . 1 . . . . 828 ILE CA . 17332 1 556 . 1 1 48 48 ILE CB C 13 37.592 0.2 . 1 . . . . 828 ILE CB . 17332 1 557 . 1 1 48 48 ILE CG1 C 13 28.944 0.001 . 1 . . . . 828 ILE CG1 . 17332 1 558 . 1 1 48 48 ILE CG2 C 13 17.618 0.2 . 1 . . . . 828 ILE CG2 . 17332 1 559 . 1 1 48 48 ILE CD1 C 13 13.169 0.2 . 1 . . . . 828 ILE CD1 . 17332 1 560 . 1 1 48 48 ILE N N 15 122.980 0.2 . 1 . . . . 828 ILE N . 17332 1 561 . 1 1 49 49 LEU H H 1 8.599 0.02 . 1 . . . . 829 LEU H . 17332 1 562 . 1 1 49 49 LEU HA H 1 3.819 0.02 . 1 . . . . 829 LEU HA . 17332 1 563 . 1 1 49 49 LEU HB2 H 1 2.034 0.02 . 1 . . . . 829 LEU HB2 . 17332 1 564 . 1 1 49 49 LEU HB3 H 1 1.558 0.02 . 1 . . . . 829 LEU HB3 . 17332 1 565 . 1 1 49 49 LEU HG H 1 1.006 0.02 . 1 . . . . 829 LEU HG . 17332 1 566 . 1 1 49 49 LEU HD11 H 1 0.759 0.02 . 1 . . . . 829 LEU HD11 . 17332 1 567 . 1 1 49 49 LEU HD12 H 1 0.759 0.02 . 1 . . . . 829 LEU HD12 . 17332 1 568 . 1 1 49 49 LEU HD13 H 1 0.759 0.02 . 1 . . . . 829 LEU HD13 . 17332 1 569 . 1 1 49 49 LEU HD21 H 1 0.890 0.02 . 1 . . . . 829 LEU HD21 . 17332 1 570 . 1 1 49 49 LEU HD22 H 1 0.890 0.02 . 1 . . . . 829 LEU HD22 . 17332 1 571 . 1 1 49 49 LEU HD23 H 1 0.890 0.02 . 1 . . . . 829 LEU HD23 . 17332 1 572 . 1 1 49 49 LEU C C 13 178.226 0.2 . 1 . . . . 829 LEU C . 17332 1 573 . 1 1 49 49 LEU CA C 13 57.918 0.2 . 1 . . . . 829 LEU CA . 17332 1 574 . 1 1 49 49 LEU CB C 13 41.232 0.001 . 1 . . . . 829 LEU CB . 17332 1 575 . 1 1 49 49 LEU CG C 13 23.534 0.2 . 1 . . . . 829 LEU CG . 17332 1 576 . 1 1 49 49 LEU CD1 C 13 26.635 0.2 . 1 . . . . 829 LEU CD1 . 17332 1 577 . 1 1 49 49 LEU CD2 C 13 24.732 0.2 . 1 . . . . 829 LEU CD2 . 17332 1 578 . 1 1 49 49 LEU N N 15 122.135 0.2 . 1 . . . . 829 LEU N . 17332 1 579 . 1 1 50 50 ALA H H 1 8.175 0.02 . 1 . . . . 830 ALA H . 17332 1 580 . 1 1 50 50 ALA HA H 1 3.863 0.02 . 1 . . . . 830 ALA HA . 17332 1 581 . 1 1 50 50 ALA HB1 H 1 1.389 0.02 . 1 . . . . 830 ALA HB1 . 17332 1 582 . 1 1 50 50 ALA HB2 H 1 1.389 0.02 . 1 . . . . 830 ALA HB2 . 17332 1 583 . 1 1 50 50 ALA HB3 H 1 1.389 0.02 . 1 . . . . 830 ALA HB3 . 17332 1 584 . 1 1 50 50 ALA C C 13 180.198 0.2 . 1 . . . . 830 ALA C . 17332 1 585 . 1 1 50 50 ALA CA C 13 55.072 0.2 . 1 . . . . 830 ALA CA . 17332 1 586 . 1 1 50 50 ALA CB C 13 17.734 0.2 . 1 . . . . 830 ALA CB . 17332 1 587 . 1 1 50 50 ALA N N 15 120.916 0.2 . 1 . . . . 830 ALA N . 17332 1 588 . 1 1 51 51 GLN H H 1 7.688 0.02 . 1 . . . . 831 GLN H . 17332 1 589 . 1 1 51 51 GLN HA H 1 3.943 0.02 . 1 . . . . 831 GLN HA . 17332 1 590 . 1 1 51 51 GLN HB2 H 1 2.136 0.02 . 1 . . . . 831 GLN HB2 . 17332 1 591 . 1 1 51 51 GLN HB3 H 1 2.136 0.02 . 1 . . . . 831 GLN HB3 . 17332 1 592 . 1 1 51 51 GLN HG2 H 1 2.324 0.02 . 1 . . . . 831 GLN HG2 . 17332 1 593 . 1 1 51 51 GLN HG3 H 1 2.324 0.02 . 1 . . . . 831 GLN HG3 . 17332 1 594 . 1 1 51 51 GLN HE21 H 1 7.581 0.02 . 1 . . . . 831 GLN HE21 . 17332 1 595 . 1 1 51 51 GLN HE22 H 1 6.743 0.02 . 1 . . . . 831 GLN HE22 . 17332 1 596 . 1 1 51 51 GLN C C 13 177.163 0.2 . 1 . . . . 831 GLN C . 17332 1 597 . 1 1 51 51 GLN CA C 13 58.467 0.2 . 1 . . . . 831 GLN CA . 17332 1 598 . 1 1 51 51 GLN CB C 13 28.381 0.2 . 1 . . . . 831 GLN CB . 17332 1 599 . 1 1 51 51 GLN CG C 13 33.662 0.2 . 1 . . . . 831 GLN CG . 17332 1 600 . 1 1 51 51 GLN N N 15 119.301 0.2 . 1 . . . . 831 GLN N . 17332 1 601 . 1 1 51 51 GLN NE2 N 15 114.651 0.2 . 1 . . . . 831 GLN NE2 . 17332 1 602 . 1 1 52 52 ALA H H 1 8.360 0.02 . 1 . . . . 832 ALA H . 17332 1 603 . 1 1 52 52 ALA HA H 1 4.198 0.02 . 1 . . . . 832 ALA HA . 17332 1 604 . 1 1 52 52 ALA HB1 H 1 1.431 0.02 . 1 . . . . 832 ALA HB1 . 17332 1 605 . 1 1 52 52 ALA HB2 H 1 1.431 0.02 . 1 . . . . 832 ALA HB2 . 17332 1 606 . 1 1 52 52 ALA HB3 H 1 1.431 0.02 . 1 . . . . 832 ALA HB3 . 17332 1 607 . 1 1 52 52 ALA C C 13 181.636 0.2 . 1 . . . . 832 ALA C . 17332 1 608 . 1 1 52 52 ALA CA C 13 55.005 0.2 . 1 . . . . 832 ALA CA . 17332 1 609 . 1 1 52 52 ALA CB C 13 17.780 0.2 . 1 . . . . 832 ALA CB . 17332 1 610 . 1 1 52 52 ALA N N 15 122.341 0.2 . 1 . . . . 832 ALA N . 17332 1 611 . 1 1 53 53 THR H H 1 8.709 0.02 . 1 . . . . 833 THR H . 17332 1 612 . 1 1 53 53 THR HA H 1 3.848 0.02 . 1 . . . . 833 THR HA . 17332 1 613 . 1 1 53 53 THR HB H 1 4.053 0.02 . 1 . . . . 833 THR HB . 17332 1 614 . 1 1 53 53 THR HG21 H 1 1.105 0.02 . 1 . . . . 833 THR HG21 . 17332 1 615 . 1 1 53 53 THR HG22 H 1 1.105 0.02 . 1 . . . . 833 THR HG22 . 17332 1 616 . 1 1 53 53 THR HG23 H 1 1.105 0.02 . 1 . . . . 833 THR HG23 . 17332 1 617 . 1 1 53 53 THR C C 13 176.121 0.2 . 1 . . . . 833 THR C . 17332 1 618 . 1 1 53 53 THR CA C 13 66.913 0.2 . 1 . . . . 833 THR CA . 17332 1 619 . 1 1 53 53 THR CB C 13 67.671 0.2 . 1 . . . . 833 THR CB . 17332 1 620 . 1 1 53 53 THR CG2 C 13 22.513 0.2 . 1 . . . . 833 THR CG2 . 17332 1 621 . 1 1 53 53 THR N N 15 114.266 0.2 . 1 . . . . 833 THR N . 17332 1 622 . 1 1 54 54 SER H H 1 8.008 0.02 . 1 . . . . 834 SER H . 17332 1 623 . 1 1 54 54 SER HA H 1 4.005 0.02 . 1 . . . . 834 SER HA . 17332 1 624 . 1 1 54 54 SER HB2 H 1 3.950 0.02 . 1 . . . . 834 SER HB2 . 17332 1 625 . 1 1 54 54 SER HB3 H 1 3.950 0.02 . 1 . . . . 834 SER HB3 . 17332 1 626 . 1 1 54 54 SER C C 13 176.555 0.2 . 1 . . . . 834 SER C . 17332 1 627 . 1 1 54 54 SER CA C 13 62.082 0.2 . 1 . . . . 834 SER CA . 17332 1 628 . 1 1 54 54 SER CB C 13 62.516 0.2 . 1 . . . . 834 SER CB . 17332 1 629 . 1 1 54 54 SER N N 15 118.478 0.2 . 1 . . . . 834 SER N . 17332 1 630 . 1 1 55 55 ASP H H 1 8.117 0.02 . 1 . . . . 835 ASP H . 17332 1 631 . 1 1 55 55 ASP HA H 1 4.392 0.02 . 1 . . . . 835 ASP HA . 17332 1 632 . 1 1 55 55 ASP HB2 H 1 2.781 0.02 . 1 . . . . 835 ASP HB2 . 17332 1 633 . 1 1 55 55 ASP HB3 H 1 2.608 0.02 . 1 . . . . 835 ASP HB3 . 17332 1 634 . 1 1 55 55 ASP C C 13 178.971 0.2 . 1 . . . . 835 ASP C . 17332 1 635 . 1 1 55 55 ASP CA C 13 57.469 0.2 . 1 . . . . 835 ASP CA . 17332 1 636 . 1 1 55 55 ASP CB C 13 39.973 0.001 . 1 . . . . 835 ASP CB . 17332 1 637 . 1 1 55 55 ASP N N 15 120.218 0.2 . 1 . . . . 835 ASP N . 17332 1 638 . 1 1 56 56 LEU H H 1 7.597 0.02 . 1 . . . . 836 LEU H . 17332 1 639 . 1 1 56 56 LEU HA H 1 4.248 0.02 . 1 . . . . 836 LEU HA . 17332 1 640 . 1 1 56 56 LEU HB2 H 1 1.904 0.02 . 1 . . . . 836 LEU HB2 . 17332 1 641 . 1 1 56 56 LEU HB3 H 1 1.392 0.02 . 1 . . . . 836 LEU HB3 . 17332 1 642 . 1 1 56 56 LEU HG H 1 1.243 0.02 . 1 . . . . 836 LEU HG . 17332 1 643 . 1 1 56 56 LEU HD11 H 1 0.654 0.02 . 1 . . . . 836 LEU HD11 . 17332 1 644 . 1 1 56 56 LEU HD12 H 1 0.654 0.02 . 1 . . . . 836 LEU HD12 . 17332 1 645 . 1 1 56 56 LEU HD13 H 1 0.654 0.02 . 1 . . . . 836 LEU HD13 . 17332 1 646 . 1 1 56 56 LEU HD21 H 1 0.692 0.02 . 1 . . . . 836 LEU HD21 . 17332 1 647 . 1 1 56 56 LEU HD22 H 1 0.692 0.02 . 1 . . . . 836 LEU HD22 . 17332 1 648 . 1 1 56 56 LEU HD23 H 1 0.692 0.02 . 1 . . . . 836 LEU HD23 . 17332 1 649 . 1 1 56 56 LEU C C 13 177.676 0.2 . 1 . . . . 836 LEU C . 17332 1 650 . 1 1 56 56 LEU CA C 13 57.796 0.2 . 1 . . . . 836 LEU CA . 17332 1 651 . 1 1 56 56 LEU CB C 13 40.891 0.006 . 1 . . . . 836 LEU CB . 17332 1 652 . 1 1 56 56 LEU CG C 13 27.068 0.2 . 1 . . . . 836 LEU CG . 17332 1 653 . 1 1 56 56 LEU CD1 C 13 26.907 0.2 . 1 . . . . 836 LEU CD1 . 17332 1 654 . 1 1 56 56 LEU CD2 C 13 22.965 0.2 . 1 . . . . 836 LEU CD2 . 17332 1 655 . 1 1 56 56 LEU N N 15 122.963 0.2 . 1 . . . . 836 LEU N . 17332 1 656 . 1 1 57 57 VAL H H 1 9.044 0.02 . 1 . . . . 837 VAL H . 17332 1 657 . 1 1 57 57 VAL HA H 1 3.274 0.02 . 1 . . . . 837 VAL HA . 17332 1 658 . 1 1 57 57 VAL HB H 1 2.190 0.02 . 1 . . . . 837 VAL HB . 17332 1 659 . 1 1 57 57 VAL HG11 H 1 0.849 0.02 . 1 . . . . 837 VAL HG11 . 17332 1 660 . 1 1 57 57 VAL HG12 H 1 0.849 0.02 . 1 . . . . 837 VAL HG12 . 17332 1 661 . 1 1 57 57 VAL HG13 H 1 0.849 0.02 . 1 . . . . 837 VAL HG13 . 17332 1 662 . 1 1 57 57 VAL HG21 H 1 0.995 0.02 . 1 . . . . 837 VAL HG21 . 17332 1 663 . 1 1 57 57 VAL HG22 H 1 0.995 0.02 . 1 . . . . 837 VAL HG22 . 17332 1 664 . 1 1 57 57 VAL HG23 H 1 0.995 0.02 . 1 . . . . 837 VAL HG23 . 17332 1 665 . 1 1 57 57 VAL C C 13 177.755 0.2 . 1 . . . . 837 VAL C . 17332 1 666 . 1 1 57 57 VAL CA C 13 67.644 0.2 . 1 . . . . 837 VAL CA . 17332 1 667 . 1 1 57 57 VAL CB C 13 31.439 0.2 . 1 . . . . 837 VAL CB . 17332 1 668 . 1 1 57 57 VAL CG1 C 13 21.395 0.2 . 1 . . . . 837 VAL CG1 . 17332 1 669 . 1 1 57 57 VAL CG2 C 13 23.791 0.2 . 1 . . . . 837 VAL CG2 . 17332 1 670 . 1 1 57 57 VAL N N 15 120.093 0.2 . 1 . . . . 837 VAL N . 17332 1 671 . 1 1 58 58 ASN H H 1 8.109 0.02 . 1 . . . . 838 ASN H . 17332 1 672 . 1 1 58 58 ASN HA H 1 4.355 0.02 . 1 . . . . 838 ASN HA . 17332 1 673 . 1 1 58 58 ASN HB2 H 1 2.865 0.02 . 1 . . . . 838 ASN HB2 . 17332 1 674 . 1 1 58 58 ASN HB3 H 1 2.709 0.02 . 1 . . . . 838 ASN HB3 . 17332 1 675 . 1 1 58 58 ASN HD21 H 1 7.604 0.02 . 1 . . . . 838 ASN HD21 . 17332 1 676 . 1 1 58 58 ASN HD22 H 1 6.795 0.02 . 1 . . . . 838 ASN HD22 . 17332 1 677 . 1 1 58 58 ASN C C 13 178.142 0.2 . 1 . . . . 838 ASN C . 17332 1 678 . 1 1 58 58 ASN CA C 13 56.087 0.2 . 1 . . . . 838 ASN CA . 17332 1 679 . 1 1 58 58 ASN CB C 13 37.599 0.003 . 1 . . . . 838 ASN CB . 17332 1 680 . 1 1 58 58 ASN N N 15 116.464 0.2 . 1 . . . . 838 ASN N . 17332 1 681 . 1 1 58 58 ASN ND2 N 15 112.798 0.2 . 1 . . . . 838 ASN ND2 . 17332 1 682 . 1 1 59 59 ALA H H 1 7.799 0.02 . 1 . . . . 839 ALA H . 17332 1 683 . 1 1 59 59 ALA HA H 1 4.167 0.02 . 1 . . . . 839 ALA HA . 17332 1 684 . 1 1 59 59 ALA HB1 H 1 1.570 0.02 . 1 . . . . 839 ALA HB1 . 17332 1 685 . 1 1 59 59 ALA HB2 H 1 1.570 0.02 . 1 . . . . 839 ALA HB2 . 17332 1 686 . 1 1 59 59 ALA HB3 H 1 1.570 0.02 . 1 . . . . 839 ALA HB3 . 17332 1 687 . 1 1 59 59 ALA C C 13 179.597 0.2 . 1 . . . . 839 ALA C . 17332 1 688 . 1 1 59 59 ALA CA C 13 55.388 0.2 . 1 . . . . 839 ALA CA . 17332 1 689 . 1 1 59 59 ALA CB C 13 17.836 0.2 . 1 . . . . 839 ALA CB . 17332 1 690 . 1 1 59 59 ALA N N 15 125.653 0.2 . 1 . . . . 839 ALA N . 17332 1 691 . 1 1 60 60 ILE H H 1 8.559 0.02 . 1 . . . . 840 ILE H . 17332 1 692 . 1 1 60 60 ILE HA H 1 3.730 0.02 . 1 . . . . 840 ILE HA . 17332 1 693 . 1 1 60 60 ILE HB H 1 1.609 0.02 . 1 . . . . 840 ILE HB . 17332 1 694 . 1 1 60 60 ILE HG12 H 1 0.362 0.02 . 1 . . . . 840 ILE HG12 . 17332 1 695 . 1 1 60 60 ILE HG13 H 1 1.378 0.02 . 1 . . . . 840 ILE HG13 . 17332 1 696 . 1 1 60 60 ILE HG21 H 1 0.782 0.02 . 1 . . . . 840 ILE HG21 . 17332 1 697 . 1 1 60 60 ILE HG22 H 1 0.782 0.02 . 1 . . . . 840 ILE HG22 . 17332 1 698 . 1 1 60 60 ILE HG23 H 1 0.782 0.02 . 1 . . . . 840 ILE HG23 . 17332 1 699 . 1 1 60 60 ILE HD11 H 1 0.317 0.02 . 1 . . . . 840 ILE HD11 . 17332 1 700 . 1 1 60 60 ILE HD12 H 1 0.317 0.02 . 1 . . . . 840 ILE HD12 . 17332 1 701 . 1 1 60 60 ILE HD13 H 1 0.317 0.02 . 1 . . . . 840 ILE HD13 . 17332 1 702 . 1 1 60 60 ILE C C 13 178.697 0.2 . 1 . . . . 840 ILE C . 17332 1 703 . 1 1 60 60 ILE CA C 13 65.608 0.2 . 1 . . . . 840 ILE CA . 17332 1 704 . 1 1 60 60 ILE CB C 13 37.988 0.2 . 1 . . . . 840 ILE CB . 17332 1 705 . 1 1 60 60 ILE CG1 C 13 28.720 0.2 . 1 . . . . 840 ILE CG1 . 17332 1 706 . 1 1 60 60 ILE CG2 C 13 19.784 0.2 . 1 . . . . 840 ILE CG2 . 17332 1 707 . 1 1 60 60 ILE CD1 C 13 13.768 0.2 . 1 . . . . 840 ILE CD1 . 17332 1 708 . 1 1 60 60 ILE N N 15 119.884 0.2 . 1 . . . . 840 ILE N . 17332 1 709 . 1 1 61 61 LYS H H 1 8.498 0.02 . 1 . . . . 841 LYS H . 17332 1 710 . 1 1 61 61 LYS HA H 1 3.705 0.02 . 1 . . . . 841 LYS HA . 17332 1 711 . 1 1 61 61 LYS HB2 H 1 1.787 0.02 . 1 . . . . 841 LYS HB2 . 17332 1 712 . 1 1 61 61 LYS HB3 H 1 1.787 0.02 . 1 . . . . 841 LYS HB3 . 17332 1 713 . 1 1 61 61 LYS HG2 H 1 1.607 0.02 . 1 . . . . 841 LYS HG2 . 17332 1 714 . 1 1 61 61 LYS HG3 H 1 1.128 0.02 . 1 . . . . 841 LYS HG3 . 17332 1 715 . 1 1 61 61 LYS HD2 H 1 1.540 0.02 . 1 . . . . 841 LYS HD2 . 17332 1 716 . 1 1 61 61 LYS HD3 H 1 1.584 0.02 . 1 . . . . 841 LYS HD3 . 17332 1 717 . 1 1 61 61 LYS HE2 H 1 2.823 0.02 . 1 . . . . 841 LYS HE2 . 17332 1 718 . 1 1 61 61 LYS HE3 H 1 2.755 0.02 . 1 . . . . 841 LYS HE3 . 17332 1 719 . 1 1 61 61 LYS C C 13 179.020 0.2 . 1 . . . . 841 LYS C . 17332 1 720 . 1 1 61 61 LYS CA C 13 60.642 0.2 . 1 . . . . 841 LYS CA . 17332 1 721 . 1 1 61 61 LYS CB C 13 32.214 0.2 . 1 . . . . 841 LYS CB . 17332 1 722 . 1 1 61 61 LYS CG C 13 26.162 0.003 . 1 . . . . 841 LYS CG . 17332 1 723 . 1 1 61 61 LYS CD C 13 29.774 0.001 . 1 . . . . 841 LYS CD . 17332 1 724 . 1 1 61 61 LYS CE C 13 41.794 0.2 . 1 . . . . 841 LYS CE . 17332 1 725 . 1 1 61 61 LYS N N 15 118.456 0.2 . 1 . . . . 841 LYS N . 17332 1 726 . 1 1 62 62 ALA H H 1 7.754 0.02 . 1 . . . . 842 ALA H . 17332 1 727 . 1 1 62 62 ALA HA H 1 4.124 0.02 . 1 . . . . 842 ALA HA . 17332 1 728 . 1 1 62 62 ALA HB1 H 1 1.458 0.02 . 1 . . . . 842 ALA HB1 . 17332 1 729 . 1 1 62 62 ALA HB2 H 1 1.458 0.02 . 1 . . . . 842 ALA HB2 . 17332 1 730 . 1 1 62 62 ALA HB3 H 1 1.458 0.02 . 1 . . . . 842 ALA HB3 . 17332 1 731 . 1 1 62 62 ALA C C 13 181.167 0.2 . 1 . . . . 842 ALA C . 17332 1 732 . 1 1 62 62 ALA CA C 13 55.013 0.2 . 1 . . . . 842 ALA CA . 17332 1 733 . 1 1 62 62 ALA CB C 13 17.715 0.2 . 1 . . . . 842 ALA CB . 17332 1 734 . 1 1 62 62 ALA N N 15 121.766 0.2 . 1 . . . . 842 ALA N . 17332 1 735 . 1 1 63 63 ASP H H 1 8.234 0.02 . 1 . . . . 843 ASP H . 17332 1 736 . 1 1 63 63 ASP HA H 1 4.392 0.02 . 1 . . . . 843 ASP HA . 17332 1 737 . 1 1 63 63 ASP HB2 H 1 3.017 0.02 . 1 . . . . 843 ASP HB2 . 17332 1 738 . 1 1 63 63 ASP HB3 H 1 2.575 0.02 . 1 . . . . 843 ASP HB3 . 17332 1 739 . 1 1 63 63 ASP C C 13 179.366 0.2 . 1 . . . . 843 ASP C . 17332 1 740 . 1 1 63 63 ASP CA C 13 56.957 0.2 . 1 . . . . 843 ASP CA . 17332 1 741 . 1 1 63 63 ASP CB C 13 39.629 0.003 . 1 . . . . 843 ASP CB . 17332 1 742 . 1 1 63 63 ASP N N 15 121.171 0.2 . 1 . . . . 843 ASP N . 17332 1 743 . 1 1 64 64 ALA H H 1 8.789 0.02 . 1 . . . . 844 ALA H . 17332 1 744 . 1 1 64 64 ALA HA H 1 3.902 0.02 . 1 . . . . 844 ALA HA . 17332 1 745 . 1 1 64 64 ALA HB1 H 1 1.538 0.02 . 1 . . . . 844 ALA HB1 . 17332 1 746 . 1 1 64 64 ALA HB2 H 1 1.538 0.02 . 1 . . . . 844 ALA HB2 . 17332 1 747 . 1 1 64 64 ALA HB3 H 1 1.538 0.02 . 1 . . . . 844 ALA HB3 . 17332 1 748 . 1 1 64 64 ALA C C 13 180.359 0.2 . 1 . . . . 844 ALA C . 17332 1 749 . 1 1 64 64 ALA CA C 13 55.160 0.2 . 1 . . . . 844 ALA CA . 17332 1 750 . 1 1 64 64 ALA CB C 13 18.385 0.2 . 1 . . . . 844 ALA CB . 17332 1 751 . 1 1 64 64 ALA N N 15 123.120 0.2 . 1 . . . . 844 ALA N . 17332 1 752 . 1 1 65 65 GLU H H 1 7.857 0.02 . 1 . . . . 845 GLU H . 17332 1 753 . 1 1 65 65 GLU HA H 1 4.015 0.02 . 1 . . . . 845 GLU HA . 17332 1 754 . 1 1 65 65 GLU HB2 H 1 2.080 0.02 . 1 . . . . 845 GLU HB2 . 17332 1 755 . 1 1 65 65 GLU HB3 H 1 2.031 0.02 . 1 . . . . 845 GLU HB3 . 17332 1 756 . 1 1 65 65 GLU HG2 H 1 2.410 0.02 . 1 . . . . 845 GLU HG2 . 17332 1 757 . 1 1 65 65 GLU HG3 H 1 2.247 0.02 . 1 . . . . 845 GLU HG3 . 17332 1 758 . 1 1 65 65 GLU C C 13 177.704 0.2 . 1 . . . . 845 GLU C . 17332 1 759 . 1 1 65 65 GLU CA C 13 58.475 0.2 . 1 . . . . 845 GLU CA . 17332 1 760 . 1 1 65 65 GLU CB C 13 29.513 0.2 . 1 . . . . 845 GLU CB . 17332 1 761 . 1 1 65 65 GLU CG C 13 36.294 0.005 . 1 . . . . 845 GLU CG . 17332 1 762 . 1 1 65 65 GLU N N 15 118.064 0.2 . 1 . . . . 845 GLU N . 17332 1 763 . 1 1 66 66 GLY H H 1 7.526 0.02 . 1 . . . . 846 GLY H . 17332 1 764 . 1 1 66 66 GLY HA2 H 1 4.159 0.02 . 1 . . . . 846 GLY HA2 . 17332 1 765 . 1 1 66 66 GLY HA3 H 1 3.712 0.02 . 1 . . . . 846 GLY HA3 . 17332 1 766 . 1 1 66 66 GLY C C 13 173.953 0.2 . 1 . . . . 846 GLY C . 17332 1 767 . 1 1 66 66 GLY CA C 13 44.933 0.002 . 1 . . . . 846 GLY CA . 17332 1 768 . 1 1 66 66 GLY N N 15 104.733 0.2 . 1 . . . . 846 GLY N . 17332 1 769 . 1 1 67 67 GLU H H 1 7.149 0.02 . 1 . . . . 847 GLU H . 17332 1 770 . 1 1 67 67 GLU HA H 1 4.265 0.02 . 1 . . . . 847 GLU HA . 17332 1 771 . 1 1 67 67 GLU HB2 H 1 2.089 0.02 . 1 . . . . 847 GLU HB2 . 17332 1 772 . 1 1 67 67 GLU HB3 H 1 2.000 0.02 . 1 . . . . 847 GLU HB3 . 17332 1 773 . 1 1 67 67 GLU HG2 H 1 2.203 0.02 . 1 . . . . 847 GLU HG2 . 17332 1 774 . 1 1 67 67 GLU HG3 H 1 2.248 0.02 . 1 . . . . 847 GLU HG3 . 17332 1 775 . 1 1 67 67 GLU C C 13 176.020 0.2 . 1 . . . . 847 GLU C . 17332 1 776 . 1 1 67 67 GLU CA C 13 55.855 0.2 . 1 . . . . 847 GLU CA . 17332 1 777 . 1 1 67 67 GLU CB C 13 30.362 0.2 . 1 . . . . 847 GLU CB . 17332 1 778 . 1 1 67 67 GLU CG C 13 37.054 0.001 . 1 . . . . 847 GLU CG . 17332 1 779 . 1 1 67 67 GLU N N 15 122.156 0.2 . 1 . . . . 847 GLU N . 17332 1 780 . 1 1 68 68 SER H H 1 8.372 0.02 . 1 . . . . 848 SER H . 17332 1 781 . 1 1 68 68 SER HA H 1 4.273 0.02 . 1 . . . . 848 SER HA . 17332 1 782 . 1 1 68 68 SER HB2 H 1 3.900 0.02 . 1 . . . . 848 SER HB2 . 17332 1 783 . 1 1 68 68 SER HB3 H 1 3.827 0.02 . 1 . . . . 848 SER HB3 . 17332 1 784 . 1 1 68 68 SER C C 13 174.580 0.2 . 1 . . . . 848 SER C . 17332 1 785 . 1 1 68 68 SER CA C 13 59.481 0.2 . 1 . . . . 848 SER CA . 17332 1 786 . 1 1 68 68 SER CB C 13 63.622 0.001 . 1 . . . . 848 SER CB . 17332 1 787 . 1 1 68 68 SER N N 15 119.659 0.2 . 1 . . . . 848 SER N . 17332 1 788 . 1 1 69 69 ASP H H 1 8.618 0.02 . 1 . . . . 849 ASP H . 17332 1 789 . 1 1 69 69 ASP HA H 1 4.688 0.02 . 1 . . . . 849 ASP HA . 17332 1 790 . 1 1 69 69 ASP HB2 H 1 2.501 0.02 . 1 . . . . 849 ASP HB2 . 17332 1 791 . 1 1 69 69 ASP HB3 H 1 2.892 0.02 . 1 . . . . 849 ASP HB3 . 17332 1 792 . 1 1 69 69 ASP C C 13 176.141 0.2 . 1 . . . . 849 ASP C . 17332 1 793 . 1 1 69 69 ASP CA C 13 53.598 0.2 . 1 . . . . 849 ASP CA . 17332 1 794 . 1 1 69 69 ASP CB C 13 42.172 0.001 . 1 . . . . 849 ASP CB . 17332 1 795 . 1 1 69 69 ASP N N 15 123.578 0.2 . 1 . . . . 849 ASP N . 17332 1 796 . 1 1 70 70 LEU H H 1 8.597 0.02 . 1 . . . . 850 LEU H . 17332 1 797 . 1 1 70 70 LEU HA H 1 4.053 0.02 . 1 . . . . 850 LEU HA . 17332 1 798 . 1 1 70 70 LEU HB2 H 1 1.699 0.02 . 1 . . . . 850 LEU HB2 . 17332 1 799 . 1 1 70 70 LEU HB3 H 1 1.561 0.02 . 1 . . . . 850 LEU HB3 . 17332 1 800 . 1 1 70 70 LEU HG H 1 1.628 0.02 . 1 . . . . 850 LEU HG . 17332 1 801 . 1 1 70 70 LEU HD11 H 1 0.843 0.02 . 1 . . . . 850 LEU HD11 . 17332 1 802 . 1 1 70 70 LEU HD12 H 1 0.843 0.02 . 1 . . . . 850 LEU HD12 . 17332 1 803 . 1 1 70 70 LEU HD13 H 1 0.843 0.02 . 1 . . . . 850 LEU HD13 . 17332 1 804 . 1 1 70 70 LEU HD21 H 1 0.898 0.02 . 1 . . . . 850 LEU HD21 . 17332 1 805 . 1 1 70 70 LEU HD22 H 1 0.898 0.02 . 1 . . . . 850 LEU HD22 . 17332 1 806 . 1 1 70 70 LEU HD23 H 1 0.898 0.02 . 1 . . . . 850 LEU HD23 . 17332 1 807 . 1 1 70 70 LEU C C 13 179.344 0.2 . 1 . . . . 850 LEU C . 17332 1 808 . 1 1 70 70 LEU CA C 13 57.790 0.2 . 1 . . . . 850 LEU CA . 17332 1 809 . 1 1 70 70 LEU CB C 13 41.867 0.002 . 1 . . . . 850 LEU CB . 17332 1 810 . 1 1 70 70 LEU CG C 13 27.097 0.2 . 1 . . . . 850 LEU CG . 17332 1 811 . 1 1 70 70 LEU CD1 C 13 23.819 0.2 . 1 . . . . 850 LEU CD1 . 17332 1 812 . 1 1 70 70 LEU CD2 C 13 24.390 0.2 . 1 . . . . 850 LEU CD2 . 17332 1 813 . 1 1 70 70 LEU N N 15 128.442 0.2 . 1 . . . . 850 LEU N . 17332 1 814 . 1 1 71 71 GLU H H 1 8.231 0.02 . 1 . . . . 851 GLU H . 17332 1 815 . 1 1 71 71 GLU HA H 1 4.084 0.02 . 1 . . . . 851 GLU HA . 17332 1 816 . 1 1 71 71 GLU HB2 H 1 1.997 0.02 . 1 . . . . 851 GLU HB2 . 17332 1 817 . 1 1 71 71 GLU HB3 H 1 2.063 0.02 . 1 . . . . 851 GLU HB3 . 17332 1 818 . 1 1 71 71 GLU HG2 H 1 2.252 0.02 . 1 . . . . 851 GLU HG2 . 17332 1 819 . 1 1 71 71 GLU HG3 H 1 2.220 0.02 . 1 . . . . 851 GLU HG3 . 17332 1 820 . 1 1 71 71 GLU C C 13 180.345 0.2 . 1 . . . . 851 GLU C . 17332 1 821 . 1 1 71 71 GLU CA C 13 59.135 0.2 . 1 . . . . 851 GLU CA . 17332 1 822 . 1 1 71 71 GLU CB C 13 28.774 0.001 . 1 . . . . 851 GLU CB . 17332 1 823 . 1 1 71 71 GLU CG C 13 36.121 0.2 . 1 . . . . 851 GLU CG . 17332 1 824 . 1 1 71 71 GLU N N 15 119.060 0.2 . 1 . . . . 851 GLU N . 17332 1 825 . 1 1 72 72 ASN H H 1 8.256 0.02 . 1 . . . . 852 ASN H . 17332 1 826 . 1 1 72 72 ASN HA H 1 4.498 0.02 . 1 . . . . 852 ASN HA . 17332 1 827 . 1 1 72 72 ASN HB2 H 1 2.829 0.02 . 1 . . . . 852 ASN HB2 . 17332 1 828 . 1 1 72 72 ASN HB3 H 1 2.637 0.02 . 1 . . . . 852 ASN HB3 . 17332 1 829 . 1 1 72 72 ASN HD21 H 1 7.966 0.02 . 1 . . . . 852 ASN HD21 . 17332 1 830 . 1 1 72 72 ASN HD22 H 1 7.055 0.02 . 1 . . . . 852 ASN HD22 . 17332 1 831 . 1 1 72 72 ASN C C 13 178.065 0.2 . 1 . . . . 852 ASN C . 17332 1 832 . 1 1 72 72 ASN CA C 13 55.826 0.2 . 1 . . . . 852 ASN CA . 17332 1 833 . 1 1 72 72 ASN CB C 13 37.975 0.012 . 1 . . . . 852 ASN CB . 17332 1 834 . 1 1 72 72 ASN N N 15 119.501 0.2 . 1 . . . . 852 ASN N . 17332 1 835 . 1 1 72 72 ASN ND2 N 15 113.114 0.004 . 1 . . . . 852 ASN ND2 . 17332 1 836 . 1 1 73 73 SER H H 1 8.374 0.02 . 1 . . . . 853 SER H . 17332 1 837 . 1 1 73 73 SER HA H 1 4.023 0.02 . 1 . . . . 853 SER HA . 17332 1 838 . 1 1 73 73 SER HB2 H 1 3.928 0.02 . 1 . . . . 853 SER HB2 . 17332 1 839 . 1 1 73 73 SER HB3 H 1 3.928 0.02 . 1 . . . . 853 SER HB3 . 17332 1 840 . 1 1 73 73 SER C C 13 176.039 0.2 . 1 . . . . 853 SER C . 17332 1 841 . 1 1 73 73 SER CA C 13 62.745 0.2 . 1 . . . . 853 SER CA . 17332 1 842 . 1 1 73 73 SER CB C 13 62.700 0.2 . 1 . . . . 853 SER CB . 17332 1 843 . 1 1 73 73 SER N N 15 114.852 0.2 . 1 . . . . 853 SER N . 17332 1 844 . 1 1 74 74 ARG H H 1 8.045 0.02 . 1 . . . . 854 ARG H . 17332 1 845 . 1 1 74 74 ARG HA H 1 3.909 0.02 . 1 . . . . 854 ARG HA . 17332 1 846 . 1 1 74 74 ARG HB2 H 1 1.928 0.02 . 1 . . . . 854 ARG HB2 . 17332 1 847 . 1 1 74 74 ARG HB3 H 1 1.882 0.02 . 1 . . . . 854 ARG HB3 . 17332 1 848 . 1 1 74 74 ARG HG2 H 1 1.568 0.02 . 1 . . . . 854 ARG HG2 . 17332 1 849 . 1 1 74 74 ARG HG3 H 1 1.796 0.02 . 1 . . . . 854 ARG HG3 . 17332 1 850 . 1 1 74 74 ARG HD2 H 1 3.115 0.02 . 1 . . . . 854 ARG HD2 . 17332 1 851 . 1 1 74 74 ARG HD3 H 1 3.115 0.02 . 1 . . . . 854 ARG HD3 . 17332 1 852 . 1 1 74 74 ARG HE H 1 7.512 0.02 . 1 . . . . 854 ARG HE . 17332 1 853 . 1 1 74 74 ARG C C 13 179.603 0.2 . 1 . . . . 854 ARG C . 17332 1 854 . 1 1 74 74 ARG CA C 13 59.891 0.2 . 1 . . . . 854 ARG CA . 17332 1 855 . 1 1 74 74 ARG CB C 13 30.035 0.006 . 1 . . . . 854 ARG CB . 17332 1 856 . 1 1 74 74 ARG CG C 13 27.774 0.005 . 1 . . . . 854 ARG CG . 17332 1 857 . 1 1 74 74 ARG CD C 13 43.453 0.2 . 1 . . . . 854 ARG CD . 17332 1 858 . 1 1 74 74 ARG N N 15 119.111 0.2 . 1 . . . . 854 ARG N . 17332 1 859 . 1 1 74 74 ARG NE N 15 84.206 0.2 . 1 . . . . 854 ARG NE . 17332 1 860 . 1 1 75 75 LYS H H 1 7.894 0.02 . 1 . . . . 855 LYS H . 17332 1 861 . 1 1 75 75 LYS HA H 1 3.985 0.02 . 1 . . . . 855 LYS HA . 17332 1 862 . 1 1 75 75 LYS HB2 H 1 1.963 0.02 . 1 . . . . 855 LYS HB2 . 17332 1 863 . 1 1 75 75 LYS HB3 H 1 1.927 0.02 . 1 . . . . 855 LYS HB3 . 17332 1 864 . 1 1 75 75 LYS HG2 H 1 1.635 0.02 . 1 . . . . 855 LYS HG2 . 17332 1 865 . 1 1 75 75 LYS HG3 H 1 1.413 0.02 . 1 . . . . 855 LYS HG3 . 17332 1 866 . 1 1 75 75 LYS HD2 H 1 1.686 0.02 . 1 . . . . 855 LYS HD2 . 17332 1 867 . 1 1 75 75 LYS HD3 H 1 1.686 0.02 . 1 . . . . 855 LYS HD3 . 17332 1 868 . 1 1 75 75 LYS HE2 H 1 2.941 0.02 . 1 . . . . 855 LYS HE2 . 17332 1 869 . 1 1 75 75 LYS HE3 H 1 2.941 0.02 . 1 . . . . 855 LYS HE3 . 17332 1 870 . 1 1 75 75 LYS C C 13 179.882 0.2 . 1 . . . . 855 LYS C . 17332 1 871 . 1 1 75 75 LYS CA C 13 59.995 0.2 . 1 . . . . 855 LYS CA . 17332 1 872 . 1 1 75 75 LYS CB C 13 32.468 0.2 . 1 . . . . 855 LYS CB . 17332 1 873 . 1 1 75 75 LYS CG C 13 25.538 0.2 . 1 . . . . 855 LYS CG . 17332 1 874 . 1 1 75 75 LYS CD C 13 29.566 0.2 . 1 . . . . 855 LYS CD . 17332 1 875 . 1 1 75 75 LYS CE C 13 42.150 0.2 . 1 . . . . 855 LYS CE . 17332 1 876 . 1 1 75 75 LYS N N 15 120.927 0.2 . 1 . . . . 855 LYS N . 17332 1 877 . 1 1 76 76 LEU H H 1 7.967 0.02 . 1 . . . . 856 LEU H . 17332 1 878 . 1 1 76 76 LEU HA H 1 3.957 0.02 . 1 . . . . 856 LEU HA . 17332 1 879 . 1 1 76 76 LEU HB2 H 1 1.991 0.02 . 1 . . . . 856 LEU HB2 . 17332 1 880 . 1 1 76 76 LEU HB3 H 1 1.387 0.02 . 1 . . . . 856 LEU HB3 . 17332 1 881 . 1 1 76 76 LEU HG H 1 1.790 0.02 . 1 . . . . 856 LEU HG . 17332 1 882 . 1 1 76 76 LEU HD11 H 1 0.828 0.02 . 1 . . . . 856 LEU HD11 . 17332 1 883 . 1 1 76 76 LEU HD12 H 1 0.828 0.02 . 1 . . . . 856 LEU HD12 . 17332 1 884 . 1 1 76 76 LEU HD13 H 1 0.828 0.02 . 1 . . . . 856 LEU HD13 . 17332 1 885 . 1 1 76 76 LEU HD21 H 1 0.958 0.02 . 1 . . . . 856 LEU HD21 . 17332 1 886 . 1 1 76 76 LEU HD22 H 1 0.958 0.02 . 1 . . . . 856 LEU HD22 . 17332 1 887 . 1 1 76 76 LEU HD23 H 1 0.958 0.02 . 1 . . . . 856 LEU HD23 . 17332 1 888 . 1 1 76 76 LEU C C 13 178.335 0.2 . 1 . . . . 856 LEU C . 17332 1 889 . 1 1 76 76 LEU CA C 13 58.149 0.2 . 1 . . . . 856 LEU CA . 17332 1 890 . 1 1 76 76 LEU CB C 13 42.206 0.025 . 1 . . . . 856 LEU CB . 17332 1 891 . 1 1 76 76 LEU CG C 13 27.442 0.2 . 1 . . . . 856 LEU CG . 17332 1 892 . 1 1 76 76 LEU CD1 C 13 25.407 0.2 . 1 . . . . 856 LEU CD1 . 17332 1 893 . 1 1 76 76 LEU CD2 C 13 23.060 0.2 . 1 . . . . 856 LEU CD2 . 17332 1 894 . 1 1 76 76 LEU N N 15 121.576 0.2 . 1 . . . . 856 LEU N . 17332 1 895 . 1 1 77 77 LEU H H 1 8.263 0.02 . 1 . . . . 857 LEU H . 17332 1 896 . 1 1 77 77 LEU HA H 1 3.876 0.02 . 1 . . . . 857 LEU HA . 17332 1 897 . 1 1 77 77 LEU HB2 H 1 1.800 0.02 . 1 . . . . 857 LEU HB2 . 17332 1 898 . 1 1 77 77 LEU HB3 H 1 1.385 0.02 . 1 . . . . 857 LEU HB3 . 17332 1 899 . 1 1 77 77 LEU HG H 1 1.711 0.02 . 1 . . . . 857 LEU HG . 17332 1 900 . 1 1 77 77 LEU HD11 H 1 0.802 0.02 . 1 . . . . 857 LEU HD11 . 17332 1 901 . 1 1 77 77 LEU HD12 H 1 0.802 0.02 . 1 . . . . 857 LEU HD12 . 17332 1 902 . 1 1 77 77 LEU HD13 H 1 0.802 0.02 . 1 . . . . 857 LEU HD13 . 17332 1 903 . 1 1 77 77 LEU HD21 H 1 0.790 0.02 . 1 . . . . 857 LEU HD21 . 17332 1 904 . 1 1 77 77 LEU HD22 H 1 0.790 0.02 . 1 . . . . 857 LEU HD22 . 17332 1 905 . 1 1 77 77 LEU HD23 H 1 0.790 0.02 . 1 . . . . 857 LEU HD23 . 17332 1 906 . 1 1 77 77 LEU C C 13 180.687 0.2 . 1 . . . . 857 LEU C . 17332 1 907 . 1 1 77 77 LEU CA C 13 58.089 0.2 . 1 . . . . 857 LEU CA . 17332 1 908 . 1 1 77 77 LEU CB C 13 41.082 0.003 . 1 . . . . 857 LEU CB . 17332 1 909 . 1 1 77 77 LEU CG C 13 26.743 0.2 . 1 . . . . 857 LEU CG . 17332 1 910 . 1 1 77 77 LEU CD2 C 13 22.898 0.2 . 1 . . . . 857 LEU CD2 . 17332 1 911 . 1 1 77 77 LEU N N 15 117.877 0.2 . 1 . . . . 857 LEU N . 17332 1 912 . 1 1 78 78 SER H H 1 8.233 0.02 . 1 . . . . 858 SER H . 17332 1 913 . 1 1 78 78 SER HA H 1 4.200 0.02 . 1 . . . . 858 SER HA . 17332 1 914 . 1 1 78 78 SER HB2 H 1 3.946 0.02 . 1 . . . . 858 SER HB2 . 17332 1 915 . 1 1 78 78 SER HB3 H 1 3.946 0.02 . 1 . . . . 858 SER HB3 . 17332 1 916 . 1 1 78 78 SER C C 13 176.199 0.2 . 1 . . . . 858 SER C . 17332 1 917 . 1 1 78 78 SER CA C 13 61.524 0.2 . 1 . . . . 858 SER CA . 17332 1 918 . 1 1 78 78 SER CB C 13 62.501 0.2 . 1 . . . . 858 SER CB . 17332 1 919 . 1 1 78 78 SER N N 15 115.722 0.2 . 1 . . . . 858 SER N . 17332 1 920 . 1 1 79 79 ALA H H 1 7.781 0.02 . 1 . . . . 859 ALA H . 17332 1 921 . 1 1 79 79 ALA HA H 1 4.047 0.02 . 1 . . . . 859 ALA HA . 17332 1 922 . 1 1 79 79 ALA HB1 H 1 1.457 0.02 . 1 . . . . 859 ALA HB1 . 17332 1 923 . 1 1 79 79 ALA HB2 H 1 1.457 0.02 . 1 . . . . 859 ALA HB2 . 17332 1 924 . 1 1 79 79 ALA HB3 H 1 1.457 0.02 . 1 . . . . 859 ALA HB3 . 17332 1 925 . 1 1 79 79 ALA C C 13 180.373 0.2 . 1 . . . . 859 ALA C . 17332 1 926 . 1 1 79 79 ALA CA C 13 54.849 0.2 . 1 . . . . 859 ALA CA . 17332 1 927 . 1 1 79 79 ALA CB C 13 17.432 0.2 . 1 . . . . 859 ALA CB . 17332 1 928 . 1 1 79 79 ALA N N 15 123.630 0.2 . 1 . . . . 859 ALA N . 17332 1 929 . 1 1 80 80 ALA H H 1 8.265 0.02 . 1 . . . . 860 ALA H . 17332 1 930 . 1 1 80 80 ALA HA H 1 3.844 0.02 . 1 . . . . 860 ALA HA . 17332 1 931 . 1 1 80 80 ALA HB1 H 1 1.457 0.02 . 1 . . . . 860 ALA HB1 . 17332 1 932 . 1 1 80 80 ALA HB2 H 1 1.457 0.02 . 1 . . . . 860 ALA HB2 . 17332 1 933 . 1 1 80 80 ALA HB3 H 1 1.457 0.02 . 1 . . . . 860 ALA HB3 . 17332 1 934 . 1 1 80 80 ALA C C 13 178.535 0.2 . 1 . . . . 860 ALA C . 17332 1 935 . 1 1 80 80 ALA CA C 13 55.083 0.2 . 1 . . . . 860 ALA CA . 17332 1 936 . 1 1 80 80 ALA CB C 13 17.624 0.2 . 1 . . . . 860 ALA CB . 17332 1 937 . 1 1 80 80 ALA N N 15 119.482 0.2 . 1 . . . . 860 ALA N . 17332 1 938 . 1 1 81 81 LYS H H 1 7.703 0.02 . 1 . . . . 861 LYS H . 17332 1 939 . 1 1 81 81 LYS HA H 1 3.978 0.02 . 1 . . . . 861 LYS HA . 17332 1 940 . 1 1 81 81 LYS HB2 H 1 1.892 0.02 . 1 . . . . 861 LYS HB2 . 17332 1 941 . 1 1 81 81 LYS HB3 H 1 1.994 0.02 . 1 . . . . 861 LYS HB3 . 17332 1 942 . 1 1 81 81 LYS HG2 H 1 1.434 0.02 . 1 . . . . 861 LYS HG2 . 17332 1 943 . 1 1 81 81 LYS HG3 H 1 1.343 0.02 . 1 . . . . 861 LYS HG3 . 17332 1 944 . 1 1 81 81 LYS HD2 H 1 1.672 0.02 . 1 . . . . 861 LYS HD2 . 17332 1 945 . 1 1 81 81 LYS HD3 H 1 1.566 0.02 . 1 . . . . 861 LYS HD3 . 17332 1 946 . 1 1 81 81 LYS HE2 H 1 2.898 0.02 . 1 . . . . 861 LYS HE2 . 17332 1 947 . 1 1 81 81 LYS HE3 H 1 2.898 0.02 . 1 . . . . 861 LYS HE3 . 17332 1 948 . 1 1 81 81 LYS C C 13 178.353 0.2 . 1 . . . . 861 LYS C . 17332 1 949 . 1 1 81 81 LYS CA C 13 59.440 0.2 . 1 . . . . 861 LYS CA . 17332 1 950 . 1 1 81 81 LYS CB C 13 32.271 0.011 . 1 . . . . 861 LYS CB . 17332 1 951 . 1 1 81 81 LYS CG C 13 24.946 0.005 . 1 . . . . 861 LYS CG . 17332 1 952 . 1 1 81 81 LYS CD C 13 28.830 0.020 . 1 . . . . 861 LYS CD . 17332 1 953 . 1 1 81 81 LYS CE C 13 42.179 0.2 . 1 . . . . 861 LYS CE . 17332 1 954 . 1 1 81 81 LYS N N 15 119.654 0.2 . 1 . . . . 861 LYS N . 17332 1 955 . 1 1 82 82 ILE H H 1 7.996 0.02 . 1 . . . . 862 ILE H . 17332 1 956 . 1 1 82 82 ILE HA H 1 3.796 0.02 . 1 . . . . 862 ILE HA . 17332 1 957 . 1 1 82 82 ILE HB H 1 1.860 0.02 . 1 . . . . 862 ILE HB . 17332 1 958 . 1 1 82 82 ILE HG12 H 1 1.202 0.02 . 1 . . . . 862 ILE HG12 . 17332 1 959 . 1 1 82 82 ILE HG13 H 1 1.636 0.02 . 1 . . . . 862 ILE HG13 . 17332 1 960 . 1 1 82 82 ILE HG21 H 1 0.912 0.02 . 1 . . . . 862 ILE HG21 . 17332 1 961 . 1 1 82 82 ILE HG22 H 1 0.912 0.02 . 1 . . . . 862 ILE HG22 . 17332 1 962 . 1 1 82 82 ILE HG23 H 1 0.912 0.02 . 1 . . . . 862 ILE HG23 . 17332 1 963 . 1 1 82 82 ILE HD11 H 1 0.758 0.02 . 1 . . . . 862 ILE HD11 . 17332 1 964 . 1 1 82 82 ILE HD12 H 1 0.758 0.02 . 1 . . . . 862 ILE HD12 . 17332 1 965 . 1 1 82 82 ILE HD13 H 1 0.758 0.02 . 1 . . . . 862 ILE HD13 . 17332 1 966 . 1 1 82 82 ILE C C 13 179.604 0.2 . 1 . . . . 862 ILE C . 17332 1 967 . 1 1 82 82 ILE CA C 13 64.599 0.2 . 1 . . . . 862 ILE CA . 17332 1 968 . 1 1 82 82 ILE CB C 13 37.798 0.2 . 1 . . . . 862 ILE CB . 17332 1 969 . 1 1 82 82 ILE CG1 C 13 29.441 0.003 . 1 . . . . 862 ILE CG1 . 17332 1 970 . 1 1 82 82 ILE CG2 C 13 17.166 0.2 . 1 . . . . 862 ILE CG2 . 17332 1 971 . 1 1 82 82 ILE CD1 C 13 12.866 0.2 . 1 . . . . 862 ILE CD1 . 17332 1 972 . 1 1 82 82 ILE N N 15 119.269 0.2 . 1 . . . . 862 ILE N . 17332 1 973 . 1 1 83 83 LEU H H 1 7.889 0.02 . 1 . . . . 863 LEU H . 17332 1 974 . 1 1 83 83 LEU HA H 1 3.905 0.02 . 1 . . . . 863 LEU HA . 17332 1 975 . 1 1 83 83 LEU HB2 H 1 1.618 0.02 . 1 . . . . 863 LEU HB2 . 17332 1 976 . 1 1 83 83 LEU HB3 H 1 1.405 0.02 . 1 . . . . 863 LEU HB3 . 17332 1 977 . 1 1 83 83 LEU HG H 1 1.365 0.02 . 1 . . . . 863 LEU HG . 17332 1 978 . 1 1 83 83 LEU HD11 H 1 0.699 0.02 . 1 . . . . 863 LEU HD11 . 17332 1 979 . 1 1 83 83 LEU HD12 H 1 0.699 0.02 . 1 . . . . 863 LEU HD12 . 17332 1 980 . 1 1 83 83 LEU HD13 H 1 0.699 0.02 . 1 . . . . 863 LEU HD13 . 17332 1 981 . 1 1 83 83 LEU HD21 H 1 0.673 0.02 . 1 . . . . 863 LEU HD21 . 17332 1 982 . 1 1 83 83 LEU HD22 H 1 0.673 0.02 . 1 . . . . 863 LEU HD22 . 17332 1 983 . 1 1 83 83 LEU HD23 H 1 0.673 0.02 . 1 . . . . 863 LEU HD23 . 17332 1 984 . 1 1 83 83 LEU C C 13 178.817 0.2 . 1 . . . . 863 LEU C . 17332 1 985 . 1 1 83 83 LEU CA C 13 58.072 0.2 . 1 . . . . 863 LEU CA . 17332 1 986 . 1 1 83 83 LEU CB C 13 42.334 0.011 . 1 . . . . 863 LEU CB . 17332 1 987 . 1 1 83 83 LEU CG C 13 27.084 0.2 . 1 . . . . 863 LEU CG . 17332 1 988 . 1 1 83 83 LEU CD1 C 13 24.680 0.2 . 1 . . . . 863 LEU CD1 . 17332 1 989 . 1 1 83 83 LEU CD2 C 13 25.798 0.2 . 1 . . . . 863 LEU CD2 . 17332 1 990 . 1 1 83 83 LEU N N 15 120.967 0.2 . 1 . . . . 863 LEU N . 17332 1 991 . 1 1 84 84 ALA H H 1 8.510 0.02 . 1 . . . . 864 ALA H . 17332 1 992 . 1 1 84 84 ALA HA H 1 3.925 0.02 . 1 . . . . 864 ALA HA . 17332 1 993 . 1 1 84 84 ALA HB1 H 1 1.488 0.02 . 1 . . . . 864 ALA HB1 . 17332 1 994 . 1 1 84 84 ALA HB2 H 1 1.488 0.02 . 1 . . . . 864 ALA HB2 . 17332 1 995 . 1 1 84 84 ALA HB3 H 1 1.488 0.02 . 1 . . . . 864 ALA HB3 . 17332 1 996 . 1 1 84 84 ALA C C 13 181.046 0.2 . 1 . . . . 864 ALA C . 17332 1 997 . 1 1 84 84 ALA CA C 13 55.801 0.2 . 1 . . . . 864 ALA CA . 17332 1 998 . 1 1 84 84 ALA CB C 13 18.026 0.2 . 1 . . . . 864 ALA CB . 17332 1 999 . 1 1 84 84 ALA N N 15 125.167 0.2 . 1 . . . . 864 ALA N . 17332 1 1000 . 1 1 85 85 ASP H H 1 8.618 0.02 . 1 . . . . 865 ASP H . 17332 1 1001 . 1 1 85 85 ASP HA H 1 4.351 0.02 . 1 . . . . 865 ASP HA . 17332 1 1002 . 1 1 85 85 ASP HB2 H 1 2.718 0.02 . 1 . . . . 865 ASP HB2 . 17332 1 1003 . 1 1 85 85 ASP HB3 H 1 2.570 0.02 . 1 . . . . 865 ASP HB3 . 17332 1 1004 . 1 1 85 85 ASP C C 13 178.786 0.2 . 1 . . . . 865 ASP C . 17332 1 1005 . 1 1 85 85 ASP CA C 13 57.340 0.2 . 1 . . . . 865 ASP CA . 17332 1 1006 . 1 1 85 85 ASP CB C 13 40.066 0.2 . 1 . . . . 865 ASP CB . 17332 1 1007 . 1 1 85 85 ASP N N 15 121.049 0.2 . 1 . . . . 865 ASP N . 17332 1 1008 . 1 1 86 86 ALA H H 1 8.372 0.02 . 1 . . . . 866 ALA H . 17332 1 1009 . 1 1 86 86 ALA HA H 1 4.074 0.02 . 1 . . . . 866 ALA HA . 17332 1 1010 . 1 1 86 86 ALA HB1 H 1 1.367 0.02 . 1 . . . . 866 ALA HB1 . 17332 1 1011 . 1 1 86 86 ALA HB2 H 1 1.367 0.02 . 1 . . . . 866 ALA HB2 . 17332 1 1012 . 1 1 86 86 ALA HB3 H 1 1.367 0.02 . 1 . . . . 866 ALA HB3 . 17332 1 1013 . 1 1 86 86 ALA C C 13 181.722 0.2 . 1 . . . . 866 ALA C . 17332 1 1014 . 1 1 86 86 ALA CA C 13 54.777 0.2 . 1 . . . . 866 ALA CA . 17332 1 1015 . 1 1 86 86 ALA CB C 13 18.225 0.2 . 1 . . . . 866 ALA CB . 17332 1 1016 . 1 1 86 86 ALA N N 15 122.435 0.2 . 1 . . . . 866 ALA N . 17332 1 1017 . 1 1 87 87 THR H H 1 8.472 0.02 . 1 . . . . 867 THR H . 17332 1 1018 . 1 1 87 87 THR HA H 1 3.719 0.02 . 1 . . . . 867 THR HA . 17332 1 1019 . 1 1 87 87 THR HB H 1 4.281 0.02 . 1 . . . . 867 THR HB . 17332 1 1020 . 1 1 87 87 THR HG21 H 1 1.109 0.02 . 1 . . . . 867 THR HG21 . 17332 1 1021 . 1 1 87 87 THR HG22 H 1 1.109 0.02 . 1 . . . . 867 THR HG22 . 17332 1 1022 . 1 1 87 87 THR HG23 H 1 1.109 0.02 . 1 . . . . 867 THR HG23 . 17332 1 1023 . 1 1 87 87 THR C C 13 175.129 0.2 . 1 . . . . 867 THR C . 17332 1 1024 . 1 1 87 87 THR CB C 13 67.849 0.053 . 1 . . . . 867 THR CB . 17332 1 1025 . 1 1 87 87 THR CG2 C 13 21.294 0.2 . 1 . . . . 867 THR CG2 . 17332 1 1026 . 1 1 87 87 THR N N 15 118.478 0.2 . 1 . . . . 867 THR N . 17332 1 1027 . 1 1 88 88 ALA H H 1 7.960 0.02 . 1 . . . . 868 ALA H . 17332 1 1028 . 1 1 88 88 ALA HA H 1 4.004 0.02 . 1 . . . . 868 ALA HA . 17332 1 1029 . 1 1 88 88 ALA HB1 H 1 1.491 0.02 . 1 . . . . 868 ALA HB1 . 17332 1 1030 . 1 1 88 88 ALA HB2 H 1 1.491 0.02 . 1 . . . . 868 ALA HB2 . 17332 1 1031 . 1 1 88 88 ALA HB3 H 1 1.491 0.02 . 1 . . . . 868 ALA HB3 . 17332 1 1032 . 1 1 88 88 ALA C C 13 180.666 0.2 . 1 . . . . 868 ALA C . 17332 1 1033 . 1 1 88 88 ALA CA C 13 55.679 0.2 . 1 . . . . 868 ALA CA . 17332 1 1034 . 1 1 88 88 ALA CB C 13 17.454 0.2 . 1 . . . . 868 ALA CB . 17332 1 1035 . 1 1 88 88 ALA N N 15 124.977 0.2 . 1 . . . . 868 ALA N . 17332 1 1036 . 1 1 89 89 LYS H H 1 7.572 0.02 . 1 . . . . 869 LYS H . 17332 1 1037 . 1 1 89 89 LYS HA H 1 4.023 0.02 . 1 . . . . 869 LYS HA . 17332 1 1038 . 1 1 89 89 LYS HB2 H 1 1.868 0.02 . 1 . . . . 869 LYS HB2 . 17332 1 1039 . 1 1 89 89 LYS HB3 H 1 1.840 0.02 . 1 . . . . 869 LYS HB3 . 17332 1 1040 . 1 1 89 89 LYS HG2 H 1 1.368 0.02 . 1 . . . . 869 LYS HG2 . 17332 1 1041 . 1 1 89 89 LYS HG3 H 1 1.554 0.02 . 1 . . . . 869 LYS HG3 . 17332 1 1042 . 1 1 89 89 LYS HD2 H 1 1.698 0.02 . 1 . . . . 869 LYS HD2 . 17332 1 1043 . 1 1 89 89 LYS HD3 H 1 1.698 0.02 . 1 . . . . 869 LYS HD3 . 17332 1 1044 . 1 1 89 89 LYS HE2 H 1 2.891 0.02 . 1 . . . . 869 LYS HE2 . 17332 1 1045 . 1 1 89 89 LYS HE3 H 1 2.891 0.02 . 1 . . . . 869 LYS HE3 . 17332 1 1046 . 1 1 89 89 LYS C C 13 179.293 0.2 . 1 . . . . 869 LYS C . 17332 1 1047 . 1 1 89 89 LYS CA C 13 59.243 0.2 . 1 . . . . 869 LYS CA . 17332 1 1048 . 1 1 89 89 LYS CB C 13 32.431 0.2 . 1 . . . . 869 LYS CB . 17332 1 1049 . 1 1 89 89 LYS CG C 13 25.367 0.002 . 1 . . . . 869 LYS CG . 17332 1 1050 . 1 1 89 89 LYS CD C 13 29.039 0.2 . 1 . . . . 869 LYS CD . 17332 1 1051 . 1 1 89 89 LYS CE C 13 42.069 0.2 . 1 . . . . 869 LYS CE . 17332 1 1052 . 1 1 89 89 LYS N N 15 116.892 0.2 . 1 . . . . 869 LYS N . 17332 1 1053 . 1 1 90 90 MET H H 1 7.721 0.02 . 1 . . . . 870 MET H . 17332 1 1054 . 1 1 90 90 MET HA H 1 4.180 0.02 . 1 . . . . 870 MET HA . 17332 1 1055 . 1 1 90 90 MET HB2 H 1 1.717 0.02 . 1 . . . . 870 MET HB2 . 17332 1 1056 . 1 1 90 90 MET HB3 H 1 2.410 0.02 . 1 . . . . 870 MET HB3 . 17332 1 1057 . 1 1 90 90 MET HG2 H 1 2.592 0.02 . 1 . . . . 870 MET HG2 . 17332 1 1058 . 1 1 90 90 MET HG3 H 1 2.121 0.02 . 1 . . . . 870 MET HG3 . 17332 1 1059 . 1 1 90 90 MET HE1 H 1 1.950 0.02 . 1 . . . . 870 MET HE1 . 17332 1 1060 . 1 1 90 90 MET HE2 H 1 1.950 0.02 . 1 . . . . 870 MET HE2 . 17332 1 1061 . 1 1 90 90 MET HE3 H 1 1.950 0.02 . 1 . . . . 870 MET HE3 . 17332 1 1062 . 1 1 90 90 MET C C 13 176.908 0.2 . 1 . . . . 870 MET C . 17332 1 1063 . 1 1 90 90 MET CA C 13 58.123 0.2 . 1 . . . . 870 MET CA . 17332 1 1064 . 1 1 90 90 MET CB C 13 31.971 0.005 . 1 . . . . 870 MET CB . 17332 1 1065 . 1 1 90 90 MET CG C 13 32.589 0.2 . 1 . . . . 870 MET CG . 17332 1 1066 . 1 1 90 90 MET CE C 13 19.410 0.2 . 1 . . . . 870 MET CE . 17332 1 1067 . 1 1 90 90 MET N N 15 120.625 0.2 . 1 . . . . 870 MET N . 17332 1 1068 . 1 1 91 91 VAL H H 1 8.855 0.02 . 1 . . . . 871 VAL H . 17332 1 1069 . 1 1 91 91 VAL HA H 1 3.373 0.02 . 1 . . . . 871 VAL HA . 17332 1 1070 . 1 1 91 91 VAL HB H 1 2.115 0.02 . 1 . . . . 871 VAL HB . 17332 1 1071 . 1 1 91 91 VAL HG11 H 1 0.845 0.02 . 1 . . . . 871 VAL HG11 . 17332 1 1072 . 1 1 91 91 VAL HG12 H 1 0.845 0.02 . 1 . . . . 871 VAL HG12 . 17332 1 1073 . 1 1 91 91 VAL HG13 H 1 0.845 0.02 . 1 . . . . 871 VAL HG13 . 17332 1 1074 . 1 1 91 91 VAL HG21 H 1 0.996 0.02 . 1 . . . . 871 VAL HG21 . 17332 1 1075 . 1 1 91 91 VAL HG22 H 1 0.996 0.02 . 1 . . . . 871 VAL HG22 . 17332 1 1076 . 1 1 91 91 VAL HG23 H 1 0.996 0.02 . 1 . . . . 871 VAL HG23 . 17332 1 1077 . 1 1 91 91 VAL C C 13 178.168 0.2 . 1 . . . . 871 VAL C . 17332 1 1078 . 1 1 91 91 VAL CA C 13 67.526 0.2 . 1 . . . . 871 VAL CA . 17332 1 1079 . 1 1 91 91 VAL CB C 13 31.693 0.2 . 1 . . . . 871 VAL CB . 17332 1 1080 . 1 1 91 91 VAL CG1 C 13 21.361 0.2 . 1 . . . . 871 VAL CG1 . 17332 1 1081 . 1 1 91 91 VAL CG2 C 13 22.978 0.2 . 1 . . . . 871 VAL CG2 . 17332 1 1082 . 1 1 91 91 VAL N N 15 120.765 0.2 . 1 . . . . 871 VAL N . 17332 1 1083 . 1 1 92 92 GLU H H 1 7.784 0.02 . 1 . . . . 872 GLU H . 17332 1 1084 . 1 1 92 92 GLU HA H 1 3.953 0.02 . 1 . . . . 872 GLU HA . 17332 1 1085 . 1 1 92 92 GLU HB2 H 1 2.021 0.02 . 1 . . . . 872 GLU HB2 . 17332 1 1086 . 1 1 92 92 GLU HB3 H 1 2.021 0.02 . 1 . . . . 872 GLU HB3 . 17332 1 1087 . 1 1 92 92 GLU HG2 H 1 2.263 0.02 . 1 . . . . 872 GLU HG2 . 17332 1 1088 . 1 1 92 92 GLU HG3 H 1 2.263 0.02 . 1 . . . . 872 GLU HG3 . 17332 1 1089 . 1 1 92 92 GLU C C 13 179.564 0.2 . 1 . . . . 872 GLU C . 17332 1 1090 . 1 1 92 92 GLU CA C 13 59.250 0.2 . 1 . . . . 872 GLU CA . 17332 1 1091 . 1 1 92 92 GLU CB C 13 29.445 0.2 . 1 . . . . 872 GLU CB . 17332 1 1092 . 1 1 92 92 GLU CG C 13 35.978 0.2 . 1 . . . . 872 GLU CG . 17332 1 1093 . 1 1 92 92 GLU N N 15 118.007 0.2 . 1 . . . . 872 GLU N . 17332 1 1094 . 1 1 93 93 ALA H H 1 8.131 0.02 . 1 . . . . 873 ALA H . 17332 1 1095 . 1 1 93 93 ALA HA H 1 4.105 0.02 . 1 . . . . 873 ALA HA . 17332 1 1096 . 1 1 93 93 ALA HB1 H 1 1.353 0.02 . 1 . . . . 873 ALA HB1 . 17332 1 1097 . 1 1 93 93 ALA HB2 H 1 1.353 0.02 . 1 . . . . 873 ALA HB2 . 17332 1 1098 . 1 1 93 93 ALA HB3 H 1 1.353 0.02 . 1 . . . . 873 ALA HB3 . 17332 1 1099 . 1 1 93 93 ALA C C 13 179.947 0.2 . 1 . . . . 873 ALA C . 17332 1 1100 . 1 1 93 93 ALA CA C 13 54.557 0.2 . 1 . . . . 873 ALA CA . 17332 1 1101 . 1 1 93 93 ALA CB C 13 17.929 0.2 . 1 . . . . 873 ALA CB . 17332 1 1102 . 1 1 93 93 ALA N N 15 122.381 0.2 . 1 . . . . 873 ALA N . 17332 1 1103 . 1 1 94 94 ALA H H 1 8.863 0.02 . 1 . . . . 874 ALA H . 17332 1 1104 . 1 1 94 94 ALA HA H 1 3.845 0.02 . 1 . . . . 874 ALA HA . 17332 1 1105 . 1 1 94 94 ALA HB1 H 1 1.312 0.02 . 1 . . . . 874 ALA HB1 . 17332 1 1106 . 1 1 94 94 ALA HB2 H 1 1.312 0.02 . 1 . . . . 874 ALA HB2 . 17332 1 1107 . 1 1 94 94 ALA HB3 H 1 1.312 0.02 . 1 . . . . 874 ALA HB3 . 17332 1 1108 . 1 1 94 94 ALA C C 13 178.777 0.2 . 1 . . . . 874 ALA C . 17332 1 1109 . 1 1 94 94 ALA CA C 13 55.356 0.2 . 1 . . . . 874 ALA CA . 17332 1 1110 . 1 1 94 94 ALA CB C 13 17.764 0.2 . 1 . . . . 874 ALA CB . 17332 1 1111 . 1 1 94 94 ALA N N 15 122.554 0.2 . 1 . . . . 874 ALA N . 17332 1 1112 . 1 1 95 95 LYS H H 1 7.960 0.02 . 1 . . . . 875 LYS H . 17332 1 1113 . 1 1 95 95 LYS HA H 1 3.760 0.02 . 1 . . . . 875 LYS HA . 17332 1 1114 . 1 1 95 95 LYS HB2 H 1 1.816 0.02 . 1 . . . . 875 LYS HB2 . 17332 1 1115 . 1 1 95 95 LYS HB3 H 1 1.816 0.02 . 1 . . . . 875 LYS HB3 . 17332 1 1116 . 1 1 95 95 LYS HG2 H 1 1.260 0.02 . 1 . . . . 875 LYS HG2 . 17332 1 1117 . 1 1 95 95 LYS HG3 H 1 1.593 0.02 . 1 . . . . 875 LYS HG3 . 17332 1 1118 . 1 1 95 95 LYS HD2 H 1 1.579 0.02 . 1 . . . . 875 LYS HD2 . 17332 1 1119 . 1 1 95 95 LYS HD3 H 1 1.579 0.02 . 1 . . . . 875 LYS HD3 . 17332 1 1120 . 1 1 95 95 LYS HE2 H 1 2.811 0.02 . 1 . . . . 875 LYS HE2 . 17332 1 1121 . 1 1 95 95 LYS HE3 H 1 2.729 0.02 . 1 . . . . 875 LYS HE3 . 17332 1 1122 . 1 1 95 95 LYS C C 13 180.202 0.2 . 1 . . . . 875 LYS C . 17332 1 1123 . 1 1 95 95 LYS CA C 13 60.072 0.2 . 1 . . . . 875 LYS CA . 17332 1 1124 . 1 1 95 95 LYS CB C 13 32.287 0.2 . 1 . . . . 875 LYS CB . 17332 1 1125 . 1 1 95 95 LYS CG C 13 25.815 0.2 . 1 . . . . 875 LYS CG . 17332 1 1126 . 1 1 95 95 LYS CD C 13 29.765 0.2 . 1 . . . . 875 LYS CD . 17332 1 1127 . 1 1 95 95 LYS CE C 13 41.795 0.003 . 1 . . . . 875 LYS CE . 17332 1 1128 . 1 1 95 95 LYS N N 15 117.205 0.2 . 1 . . . . 875 LYS N . 17332 1 1129 . 1 1 96 96 GLY H H 1 8.001 0.02 . 1 . . . . 876 GLY H . 17332 1 1130 . 1 1 96 96 GLY HA2 H 1 3.871 0.02 . 1 . . . . 876 GLY HA2 . 17332 1 1131 . 1 1 96 96 GLY HA3 H 1 3.871 0.02 . 1 . . . . 876 GLY HA3 . 17332 1 1132 . 1 1 96 96 GLY C C 13 175.807 0.2 . 1 . . . . 876 GLY C . 17332 1 1133 . 1 1 96 96 GLY CA C 13 47.306 0.2 . 1 . . . . 876 GLY CA . 17332 1 1134 . 1 1 96 96 GLY N N 15 107.594 0.2 . 1 . . . . 876 GLY N . 17332 1 1135 . 1 1 97 97 ALA H H 1 8.224 0.02 . 1 . . . . 877 ALA H . 17332 1 1136 . 1 1 97 97 ALA HA H 1 3.935 0.02 . 1 . . . . 877 ALA HA . 17332 1 1137 . 1 1 97 97 ALA HB1 H 1 1.245 0.02 . 1 . . . . 877 ALA HB1 . 17332 1 1138 . 1 1 97 97 ALA HB2 H 1 1.245 0.02 . 1 . . . . 877 ALA HB2 . 17332 1 1139 . 1 1 97 97 ALA HB3 H 1 1.245 0.02 . 1 . . . . 877 ALA HB3 . 17332 1 1140 . 1 1 97 97 ALA C C 13 178.554 0.2 . 1 . . . . 877 ALA C . 17332 1 1141 . 1 1 97 97 ALA CA C 13 54.341 0.2 . 1 . . . . 877 ALA CA . 17332 1 1142 . 1 1 97 97 ALA CB C 13 18.282 0.2 . 1 . . . . 877 ALA CB . 17332 1 1143 . 1 1 97 97 ALA N N 15 123.887 0.2 . 1 . . . . 877 ALA N . 17332 1 1144 . 1 1 98 98 ALA H H 1 7.990 0.02 . 1 . . . . 878 ALA H . 17332 1 1145 . 1 1 98 98 ALA HA H 1 3.966 0.02 . 1 . . . . 878 ALA HA . 17332 1 1146 . 1 1 98 98 ALA HB1 H 1 1.401 0.02 . 1 . . . . 878 ALA HB1 . 17332 1 1147 . 1 1 98 98 ALA HB2 H 1 1.401 0.02 . 1 . . . . 878 ALA HB2 . 17332 1 1148 . 1 1 98 98 ALA HB3 H 1 1.401 0.02 . 1 . . . . 878 ALA HB3 . 17332 1 1149 . 1 1 98 98 ALA C C 13 178.992 0.2 . 1 . . . . 878 ALA C . 17332 1 1150 . 1 1 98 98 ALA CA C 13 54.076 0.2 . 1 . . . . 878 ALA CA . 17332 1 1151 . 1 1 98 98 ALA CB C 13 18.702 0.2 . 1 . . . . 878 ALA CB . 17332 1 1152 . 1 1 98 98 ALA N N 15 118.748 0.2 . 1 . . . . 878 ALA N . 17332 1 1153 . 1 1 99 99 ALA H H 1 7.192 0.02 . 1 . . . . 879 ALA H . 17332 1 1154 . 1 1 99 99 ALA HA H 1 3.972 0.02 . 1 . . . . 879 ALA HA . 17332 1 1155 . 1 1 99 99 ALA HB1 H 1 1.164 0.02 . 1 . . . . 879 ALA HB1 . 17332 1 1156 . 1 1 99 99 ALA HB2 H 1 1.164 0.02 . 1 . . . . 879 ALA HB2 . 17332 1 1157 . 1 1 99 99 ALA HB3 H 1 1.164 0.02 . 1 . . . . 879 ALA HB3 . 17332 1 1158 . 1 1 99 99 ALA C C 13 177.609 0.2 . 1 . . . . 879 ALA C . 17332 1 1159 . 1 1 99 99 ALA CA C 13 53.145 0.2 . 1 . . . . 879 ALA CA . 17332 1 1160 . 1 1 99 99 ALA CB C 13 19.082 0.2 . 1 . . . . 879 ALA CB . 17332 1 1161 . 1 1 99 99 ALA N N 15 116.492 0.2 . 1 . . . . 879 ALA N . 17332 1 1162 . 1 1 100 100 HIS H H 1 7.272 0.02 . 1 . . . . 880 HIS H . 17332 1 1163 . 1 1 100 100 HIS HA H 1 5.059 0.02 . 1 . . . . 880 HIS HA . 17332 1 1164 . 1 1 100 100 HIS HB2 H 1 3.088 0.02 . 1 . . . . 880 HIS HB2 . 17332 1 1165 . 1 1 100 100 HIS HB3 H 1 3.021 0.02 . 1 . . . . 880 HIS HB3 . 17332 1 1166 . 1 1 100 100 HIS HD2 H 1 7.272 0.02 . 1 . . . . 880 HIS HD2 . 17332 1 1167 . 1 1 100 100 HIS CA C 13 52.631 0.2 . 1 . . . . 880 HIS CA . 17332 1 1168 . 1 1 100 100 HIS CB C 13 29.271 0.002 . 1 . . . . 880 HIS CB . 17332 1 1169 . 1 1 100 100 HIS CD2 C 13 121.715 0.2 . 1 . . . . 880 HIS CD2 . 17332 1 1170 . 1 1 100 100 HIS N N 15 113.441 0.2 . 1 . . . . 880 HIS N . 17332 1 1171 . 1 1 101 101 PRO HA H 1 4.456 0.02 . 1 . . . . 881 PRO HA . 17332 1 1172 . 1 1 101 101 PRO HB2 H 1 1.914 0.02 . 1 . . . . 881 PRO HB2 . 17332 1 1173 . 1 1 101 101 PRO HB3 H 1 2.274 0.02 . 1 . . . . 881 PRO HB3 . 17332 1 1174 . 1 1 101 101 PRO HG2 H 1 1.860 0.02 . 1 . . . . 881 PRO HG2 . 17332 1 1175 . 1 1 101 101 PRO HG3 H 1 1.983 0.02 . 1 . . . . 881 PRO HG3 . 17332 1 1176 . 1 1 101 101 PRO HD2 H 1 3.539 0.02 . 1 . . . . 881 PRO HD2 . 17332 1 1177 . 1 1 101 101 PRO HD3 H 1 3.298 0.02 . 1 . . . . 881 PRO HD3 . 17332 1 1178 . 1 1 101 101 PRO C C 13 176.820 0.2 . 1 . . . . 881 PRO C . 17332 1 1179 . 1 1 101 101 PRO CA C 13 64.850 0.2 . 1 . . . . 881 PRO CA . 17332 1 1180 . 1 1 101 101 PRO CB C 13 31.918 0.001 . 1 . . . . 881 PRO CB . 17332 1 1181 . 1 1 101 101 PRO CG C 13 27.080 0.003 . 1 . . . . 881 PRO CG . 17332 1 1182 . 1 1 101 101 PRO CD C 13 50.158 0.012 . 1 . . . . 881 PRO CD . 17332 1 1183 . 1 1 102 102 ASP H H 1 8.522 0.02 . 1 . . . . 882 ASP H . 17332 1 1184 . 1 1 102 102 ASP HA H 1 4.526 0.02 . 1 . . . . 882 ASP HA . 17332 1 1185 . 1 1 102 102 ASP HB2 H 1 2.668 0.02 . 1 . . . . 882 ASP HB2 . 17332 1 1186 . 1 1 102 102 ASP HB3 H 1 2.668 0.02 . 1 . . . . 882 ASP HB3 . 17332 1 1187 . 1 1 102 102 ASP C C 13 175.923 0.2 . 1 . . . . 882 ASP C . 17332 1 1188 . 1 1 102 102 ASP CA C 13 53.358 0.2 . 1 . . . . 882 ASP CA . 17332 1 1189 . 1 1 102 102 ASP CB C 13 40.357 0.2 . 1 . . . . 882 ASP CB . 17332 1 1190 . 1 1 102 102 ASP N N 15 115.261 0.2 . 1 . . . . 882 ASP N . 17332 1 1191 . 1 1 103 103 SER H H 1 7.401 0.02 . 1 . . . . 883 SER H . 17332 1 1192 . 1 1 103 103 SER HA H 1 4.568 0.02 . 1 . . . . 883 SER HA . 17332 1 1193 . 1 1 103 103 SER HB2 H 1 3.867 0.02 . 1 . . . . 883 SER HB2 . 17332 1 1194 . 1 1 103 103 SER HB3 H 1 4.004 0.02 . 1 . . . . 883 SER HB3 . 17332 1 1195 . 1 1 103 103 SER C C 13 175.904 0.2 . 1 . . . . 883 SER C . 17332 1 1196 . 1 1 103 103 SER CA C 13 56.399 0.2 . 1 . . . . 883 SER CA . 17332 1 1197 . 1 1 103 103 SER CB C 13 62.948 0.002 . 1 . . . . 883 SER CB . 17332 1 1198 . 1 1 103 103 SER N N 15 113.492 0.2 . 1 . . . . 883 SER N . 17332 1 1199 . 1 1 104 104 GLU H H 1 9.241 0.02 . 1 . . . . 884 GLU H . 17332 1 1200 . 1 1 104 104 GLU HA H 1 3.963 0.02 . 1 . . . . 884 GLU HA . 17332 1 1201 . 1 1 104 104 GLU HB2 H 1 2.019 0.02 . 1 . . . . 884 GLU HB2 . 17332 1 1202 . 1 1 104 104 GLU HB3 H 1 1.975 0.02 . 1 . . . . 884 GLU HB3 . 17332 1 1203 . 1 1 104 104 GLU HG2 H 1 2.303 0.02 . 1 . . . . 884 GLU HG2 . 17332 1 1204 . 1 1 104 104 GLU HG3 H 1 2.246 0.02 . 1 . . . . 884 GLU HG3 . 17332 1 1205 . 1 1 104 104 GLU C C 13 178.868 0.2 . 1 . . . . 884 GLU C . 17332 1 1206 . 1 1 104 104 GLU CA C 13 59.546 0.2 . 1 . . . . 884 GLU CA . 17332 1 1207 . 1 1 104 104 GLU CB C 13 29.136 0.009 . 1 . . . . 884 GLU CB . 17332 1 1208 . 1 1 104 104 GLU CG C 13 36.200 0.2 . 1 . . . . 884 GLU CG . 17332 1 1209 . 1 1 104 104 GLU N N 15 133.350 0.2 . 1 . . . . 884 GLU N . 17332 1 1210 . 1 1 105 105 GLU H H 1 8.503 0.02 . 1 . . . . 885 GLU H . 17332 1 1211 . 1 1 105 105 GLU HA H 1 4.004 0.02 . 1 . . . . 885 GLU HA . 17332 1 1212 . 1 1 105 105 GLU HB2 H 1 1.783 0.02 . 1 . . . . 885 GLU HB2 . 17332 1 1213 . 1 1 105 105 GLU HB3 H 1 1.959 0.02 . 1 . . . . 885 GLU HB3 . 17332 1 1214 . 1 1 105 105 GLU HG2 H 1 2.103 0.02 . 1 . . . . 885 GLU HG2 . 17332 1 1215 . 1 1 105 105 GLU HG3 H 1 2.201 0.02 . 1 . . . . 885 GLU HG3 . 17332 1 1216 . 1 1 105 105 GLU C C 13 179.363 0.2 . 1 . . . . 885 GLU C . 17332 1 1217 . 1 1 105 105 GLU CA C 13 59.627 0.2 . 1 . . . . 885 GLU CA . 17332 1 1218 . 1 1 105 105 GLU CB C 13 29.315 0.011 . 1 . . . . 885 GLU CB . 17332 1 1219 . 1 1 105 105 GLU CG C 13 36.221 0.001 . 1 . . . . 885 GLU CG . 17332 1 1220 . 1 1 105 105 GLU N N 15 120.233 0.2 . 1 . . . . 885 GLU N . 17332 1 1221 . 1 1 106 106 GLN H H 1 7.870 0.02 . 1 . . . . 886 GLN H . 17332 1 1222 . 1 1 106 106 GLN HA H 1 3.992 0.02 . 1 . . . . 886 GLN HA . 17332 1 1223 . 1 1 106 106 GLN HB2 H 1 2.026 0.02 . 1 . . . . 886 GLN HB2 . 17332 1 1224 . 1 1 106 106 GLN HB3 H 1 2.176 0.02 . 1 . . . . 886 GLN HB3 . 17332 1 1225 . 1 1 106 106 GLN HG2 H 1 2.409 0.02 . 1 . . . . 886 GLN HG2 . 17332 1 1226 . 1 1 106 106 GLN HG3 H 1 2.318 0.02 . 1 . . . . 886 GLN HG3 . 17332 1 1227 . 1 1 106 106 GLN HE21 H 1 7.286 0.02 . 1 . . . . 886 GLN HE21 . 17332 1 1228 . 1 1 106 106 GLN HE22 H 1 6.860 0.02 . 1 . . . . 886 GLN HE22 . 17332 1 1229 . 1 1 106 106 GLN C C 13 179.371 0.2 . 1 . . . . 886 GLN C . 17332 1 1230 . 1 1 106 106 GLN CA C 13 57.970 0.2 . 1 . . . . 886 GLN CA . 17332 1 1231 . 1 1 106 106 GLN CB C 13 27.367 0.003 . 1 . . . . 886 GLN CB . 17332 1 1232 . 1 1 106 106 GLN CG C 13 33.091 0.007 . 1 . . . . 886 GLN CG . 17332 1 1233 . 1 1 106 106 GLN N N 15 117.453 0.2 . 1 . . . . 886 GLN N . 17332 1 1234 . 1 1 106 106 GLN NE2 N 15 111.546 0.2 . 1 . . . . 886 GLN NE2 . 17332 1 1235 . 1 1 107 107 GLN H H 1 7.817 0.02 . 1 . . . . 887 GLN H . 17332 1 1236 . 1 1 107 107 GLN HA H 1 3.870 0.02 . 1 . . . . 887 GLN HA . 17332 1 1237 . 1 1 107 107 GLN HB2 H 1 2.160 0.02 . 1 . . . . 887 GLN HB2 . 17332 1 1238 . 1 1 107 107 GLN HB3 H 1 2.191 0.02 . 1 . . . . 887 GLN HB3 . 17332 1 1239 . 1 1 107 107 GLN HG2 H 1 2.597 0.02 . 1 . . . . 887 GLN HG2 . 17332 1 1240 . 1 1 107 107 GLN HG3 H 1 2.418 0.02 . 1 . . . . 887 GLN HG3 . 17332 1 1241 . 1 1 107 107 GLN HE21 H 1 7.336 0.02 . 1 . . . . 887 GLN HE21 . 17332 1 1242 . 1 1 107 107 GLN HE22 H 1 6.739 0.02 . 1 . . . . 887 GLN HE22 . 17332 1 1243 . 1 1 107 107 GLN C C 13 178.581 0.2 . 1 . . . . 887 GLN C . 17332 1 1244 . 1 1 107 107 GLN CA C 13 59.324 0.2 . 1 . . . . 887 GLN CA . 17332 1 1245 . 1 1 107 107 GLN CB C 13 27.682 0.001 . 1 . . . . 887 GLN CB . 17332 1 1246 . 1 1 107 107 GLN CG C 13 33.532 0.016 . 1 . . . . 887 GLN CG . 17332 1 1247 . 1 1 107 107 GLN N N 15 119.601 0.2 . 1 . . . . 887 GLN N . 17332 1 1248 . 1 1 107 107 GLN NE2 N 15 111.420 0.2 . 1 . . . . 887 GLN NE2 . 17332 1 1249 . 1 1 108 108 GLN H H 1 8.300 0.02 . 1 . . . . 888 GLN H . 17332 1 1250 . 1 1 108 108 GLN HA H 1 3.971 0.02 . 1 . . . . 888 GLN HA . 17332 1 1251 . 1 1 108 108 GLN HB2 H 1 2.177 0.02 . 1 . . . . 888 GLN HB2 . 17332 1 1252 . 1 1 108 108 GLN HB3 H 1 2.084 0.02 . 1 . . . . 888 GLN HB3 . 17332 1 1253 . 1 1 108 108 GLN HG2 H 1 2.369 0.02 . 1 . . . . 888 GLN HG2 . 17332 1 1254 . 1 1 108 108 GLN HG3 H 1 2.369 0.02 . 1 . . . . 888 GLN HG3 . 17332 1 1255 . 1 1 108 108 GLN HE21 H 1 7.728 0.02 . 1 . . . . 888 GLN HE21 . 17332 1 1256 . 1 1 108 108 GLN HE22 H 1 6.770 0.02 . 1 . . . . 888 GLN HE22 . 17332 1 1257 . 1 1 108 108 GLN C C 13 178.427 0.2 . 1 . . . . 888 GLN C . 17332 1 1258 . 1 1 108 108 GLN CA C 13 58.915 0.2 . 1 . . . . 888 GLN CA . 17332 1 1259 . 1 1 108 108 GLN CB C 13 27.317 0.002 . 1 . . . . 888 GLN CB . 17332 1 1260 . 1 1 108 108 GLN CG C 13 32.967 0.2 . 1 . . . . 888 GLN CG . 17332 1 1261 . 1 1 108 108 GLN N N 15 120.481 0.2 . 1 . . . . 888 GLN N . 17332 1 1262 . 1 1 108 108 GLN NE2 N 15 112.221 0.003 . 1 . . . . 888 GLN NE2 . 17332 1 1263 . 1 1 109 109 ARG H H 1 8.023 0.02 . 1 . . . . 889 ARG H . 17332 1 1264 . 1 1 109 109 ARG HA H 1 4.046 0.02 . 1 . . . . 889 ARG HA . 17332 1 1265 . 1 1 109 109 ARG HB2 H 1 1.845 0.02 . 1 . . . . 889 ARG HB2 . 17332 1 1266 . 1 1 109 109 ARG HB3 H 1 1.954 0.02 . 1 . . . . 889 ARG HB3 . 17332 1 1267 . 1 1 109 109 ARG HG2 H 1 1.645 0.02 . 1 . . . . 889 ARG HG2 . 17332 1 1268 . 1 1 109 109 ARG HG3 H 1 1.782 0.02 . 1 . . . . 889 ARG HG3 . 17332 1 1269 . 1 1 109 109 ARG HD2 H 1 3.140 0.02 . 1 . . . . 889 ARG HD2 . 17332 1 1270 . 1 1 109 109 ARG HD3 H 1 3.140 0.02 . 1 . . . . 889 ARG HD3 . 17332 1 1271 . 1 1 109 109 ARG HE H 1 7.394 0.02 . 1 . . . . 889 ARG HE . 17332 1 1272 . 1 1 109 109 ARG C C 13 179.588 0.2 . 1 . . . . 889 ARG C . 17332 1 1273 . 1 1 109 109 ARG CA C 13 59.172 0.2 . 1 . . . . 889 ARG CA . 17332 1 1274 . 1 1 109 109 ARG CB C 13 30.282 0.001 . 1 . . . . 889 ARG CB . 17332 1 1275 . 1 1 109 109 ARG CG C 13 27.271 0.022 . 1 . . . . 889 ARG CG . 17332 1 1276 . 1 1 109 109 ARG CD C 13 43.629 0.2 . 1 . . . . 889 ARG CD . 17332 1 1277 . 1 1 109 109 ARG N N 15 119.153 0.2 . 1 . . . . 889 ARG N . 17332 1 1278 . 1 1 109 109 ARG NE N 15 84.536 0.2 . 1 . . . . 889 ARG NE . 17332 1 1279 . 1 1 110 110 LEU H H 1 7.835 0.02 . 1 . . . . 890 LEU H . 17332 1 1280 . 1 1 110 110 LEU HA H 1 3.981 0.02 . 1 . . . . 890 LEU HA . 17332 1 1281 . 1 1 110 110 LEU HB2 H 1 1.312 0.02 . 1 . . . . 890 LEU HB2 . 17332 1 1282 . 1 1 110 110 LEU HB3 H 1 2.096 0.02 . 1 . . . . 890 LEU HB3 . 17332 1 1283 . 1 1 110 110 LEU HG H 1 1.425 0.02 . 1 . . . . 890 LEU HG . 17332 1 1284 . 1 1 110 110 LEU HD11 H 1 0.693 0.02 . 1 . . . . 890 LEU HD11 . 17332 1 1285 . 1 1 110 110 LEU HD12 H 1 0.693 0.02 . 1 . . . . 890 LEU HD12 . 17332 1 1286 . 1 1 110 110 LEU HD13 H 1 0.693 0.02 . 1 . . . . 890 LEU HD13 . 17332 1 1287 . 1 1 110 110 LEU HD21 H 1 0.518 0.02 . 1 . . . . 890 LEU HD21 . 17332 1 1288 . 1 1 110 110 LEU HD22 H 1 0.518 0.02 . 1 . . . . 890 LEU HD22 . 17332 1 1289 . 1 1 110 110 LEU HD23 H 1 0.518 0.02 . 1 . . . . 890 LEU HD23 . 17332 1 1290 . 1 1 110 110 LEU C C 13 177.867 0.2 . 1 . . . . 890 LEU C . 17332 1 1291 . 1 1 110 110 LEU CA C 13 58.201 0.2 . 1 . . . . 890 LEU CA . 17332 1 1292 . 1 1 110 110 LEU CB C 13 41.860 0.002 . 1 . . . . 890 LEU CB . 17332 1 1293 . 1 1 110 110 LEU CG C 13 26.526 0.2 . 1 . . . . 890 LEU CG . 17332 1 1294 . 1 1 110 110 LEU CD1 C 13 23.772 0.2 . 1 . . . . 890 LEU CD1 . 17332 1 1295 . 1 1 110 110 LEU CD2 C 13 26.257 0.2 . 1 . . . . 890 LEU CD2 . 17332 1 1296 . 1 1 110 110 LEU N N 15 121.408 0.2 . 1 . . . . 890 LEU N . 17332 1 1297 . 1 1 111 111 ARG H H 1 8.073 0.02 . 1 . . . . 891 ARG H . 17332 1 1298 . 1 1 111 111 ARG HA H 1 3.979 0.02 . 1 . . . . 891 ARG HA . 17332 1 1299 . 1 1 111 111 ARG HB2 H 1 1.912 0.02 . 1 . . . . 891 ARG HB2 . 17332 1 1300 . 1 1 111 111 ARG HB3 H 1 2.013 0.02 . 1 . . . . 891 ARG HB3 . 17332 1 1301 . 1 1 111 111 ARG HG2 H 1 1.532 0.02 . 1 . . . . 891 ARG HG2 . 17332 1 1302 . 1 1 111 111 ARG HG3 H 1 1.799 0.02 . 1 . . . . 891 ARG HG3 . 17332 1 1303 . 1 1 111 111 ARG HD2 H 1 3.169 0.02 . 1 . . . . 891 ARG HD2 . 17332 1 1304 . 1 1 111 111 ARG HD3 H 1 3.078 0.02 . 1 . . . . 891 ARG HD3 . 17332 1 1305 . 1 1 111 111 ARG HE H 1 7.230 0.02 . 1 . . . . 891 ARG HE . 17332 1 1306 . 1 1 111 111 ARG C C 13 179.402 0.2 . 1 . . . . 891 ARG C . 17332 1 1307 . 1 1 111 111 ARG CA C 13 60.588 0.2 . 1 . . . . 891 ARG CA . 17332 1 1308 . 1 1 111 111 ARG CB C 13 29.953 0.007 . 1 . . . . 891 ARG CB . 17332 1 1309 . 1 1 111 111 ARG CG C 13 28.269 0.2 . 1 . . . . 891 ARG CG . 17332 1 1310 . 1 1 111 111 ARG CD C 13 43.314 0.2 . 1 . . . . 891 ARG CD . 17332 1 1311 . 1 1 111 111 ARG N N 15 119.465 0.2 . 1 . . . . 891 ARG N . 17332 1 1312 . 1 1 111 111 ARG NE N 15 83.613 0.2 . 1 . . . . 891 ARG NE . 17332 1 1313 . 1 1 112 112 GLU H H 1 8.445 0.02 . 1 . . . . 892 GLU H . 17332 1 1314 . 1 1 112 112 GLU HA H 1 4.017 0.02 . 1 . . . . 892 GLU HA . 17332 1 1315 . 1 1 112 112 GLU HB2 H 1 1.993 0.02 . 1 . . . . 892 GLU HB2 . 17332 1 1316 . 1 1 112 112 GLU HB3 H 1 2.070 0.02 . 1 . . . . 892 GLU HB3 . 17332 1 1317 . 1 1 112 112 GLU HG2 H 1 2.442 0.02 . 1 . . . . 892 GLU HG2 . 17332 1 1318 . 1 1 112 112 GLU HG3 H 1 2.197 0.02 . 1 . . . . 892 GLU HG3 . 17332 1 1319 . 1 1 112 112 GLU C C 13 179.947 0.2 . 1 . . . . 892 GLU C . 17332 1 1320 . 1 1 112 112 GLU CA C 13 59.251 0.2 . 1 . . . . 892 GLU CA . 17332 1 1321 . 1 1 112 112 GLU CB C 13 29.610 0.003 . 1 . . . . 892 GLU CB . 17332 1 1322 . 1 1 112 112 GLU CG C 13 36.523 0.006 . 1 . . . . 892 GLU CG . 17332 1 1323 . 1 1 112 112 GLU N N 15 119.272 0.2 . 1 . . . . 892 GLU N . 17332 1 1324 . 1 1 113 113 ALA H H 1 8.429 0.02 . 1 . . . . 893 ALA H . 17332 1 1325 . 1 1 113 113 ALA HA H 1 4.149 0.02 . 1 . . . . 893 ALA HA . 17332 1 1326 . 1 1 113 113 ALA HB1 H 1 1.408 0.02 . 1 . . . . 893 ALA HB1 . 17332 1 1327 . 1 1 113 113 ALA HB2 H 1 1.408 0.02 . 1 . . . . 893 ALA HB2 . 17332 1 1328 . 1 1 113 113 ALA HB3 H 1 1.408 0.02 . 1 . . . . 893 ALA HB3 . 17332 1 1329 . 1 1 113 113 ALA C C 13 180.957 0.2 . 1 . . . . 893 ALA C . 17332 1 1330 . 1 1 113 113 ALA CA C 13 54.456 0.2 . 1 . . . . 893 ALA CA . 17332 1 1331 . 1 1 113 113 ALA CB C 13 17.932 0.2 . 1 . . . . 893 ALA CB . 17332 1 1332 . 1 1 113 113 ALA N N 15 122.842 0.2 . 1 . . . . 893 ALA N . 17332 1 1333 . 1 1 114 114 ALA H H 1 8.615 0.02 . 1 . . . . 894 ALA H . 17332 1 1334 . 1 1 114 114 ALA HA H 1 4.164 0.02 . 1 . . . . 894 ALA HA . 17332 1 1335 . 1 1 114 114 ALA HB1 H 1 1.542 0.02 . 1 . . . . 894 ALA HB1 . 17332 1 1336 . 1 1 114 114 ALA HB2 H 1 1.542 0.02 . 1 . . . . 894 ALA HB2 . 17332 1 1337 . 1 1 114 114 ALA HB3 H 1 1.542 0.02 . 1 . . . . 894 ALA HB3 . 17332 1 1338 . 1 1 114 114 ALA C C 13 179.317 0.2 . 1 . . . . 894 ALA C . 17332 1 1339 . 1 1 114 114 ALA CA C 13 55.679 0.2 . 1 . . . . 894 ALA CA . 17332 1 1340 . 1 1 114 114 ALA CB C 13 18.395 0.2 . 1 . . . . 894 ALA CB . 17332 1 1341 . 1 1 114 114 ALA N N 15 124.219 0.2 . 1 . . . . 894 ALA N . 17332 1 1342 . 1 1 115 115 GLU H H 1 8.052 0.02 . 1 . . . . 895 GLU H . 17332 1 1343 . 1 1 115 115 GLU HA H 1 4.140 0.02 . 1 . . . . 895 GLU HA . 17332 1 1344 . 1 1 115 115 GLU HB2 H 1 2.144 0.02 . 1 . . . . 895 GLU HB2 . 17332 1 1345 . 1 1 115 115 GLU HB3 H 1 2.061 0.02 . 1 . . . . 895 GLU HB3 . 17332 1 1346 . 1 1 115 115 GLU HG2 H 1 2.289 0.02 . 1 . . . . 895 GLU HG2 . 17332 1 1347 . 1 1 115 115 GLU HG3 H 1 2.289 0.02 . 1 . . . . 895 GLU HG3 . 17332 1 1348 . 1 1 115 115 GLU C C 13 179.640 0.2 . 1 . . . . 895 GLU C . 17332 1 1349 . 1 1 115 115 GLU CA C 13 59.314 0.2 . 1 . . . . 895 GLU CA . 17332 1 1350 . 1 1 115 115 GLU CB C 13 29.001 0.002 . 1 . . . . 895 GLU CB . 17332 1 1351 . 1 1 115 115 GLU CG C 13 35.737 0.2 . 1 . . . . 895 GLU CG . 17332 1 1352 . 1 1 115 115 GLU N N 15 119.950 0.2 . 1 . . . . 895 GLU N . 17332 1 1353 . 1 1 116 116 GLY H H 1 8.114 0.02 . 1 . . . . 896 GLY H . 17332 1 1354 . 1 1 116 116 GLY HA2 H 1 3.869 0.02 . 1 . . . . 896 GLY HA2 . 17332 1 1355 . 1 1 116 116 GLY HA3 H 1 3.932 0.02 . 1 . . . . 896 GLY HA3 . 17332 1 1356 . 1 1 116 116 GLY C C 13 176.747 0.2 . 1 . . . . 896 GLY C . 17332 1 1357 . 1 1 116 116 GLY CA C 13 47.101 0.002 . 1 . . . . 896 GLY CA . 17332 1 1358 . 1 1 116 116 GLY N N 15 106.398 0.2 . 1 . . . . 896 GLY N . 17332 1 1359 . 1 1 117 117 LEU H H 1 8.085 0.02 . 1 . . . . 897 LEU H . 17332 1 1360 . 1 1 117 117 LEU HA H 1 4.114 0.02 . 1 . . . . 897 LEU HA . 17332 1 1361 . 1 1 117 117 LEU HB2 H 1 1.308 0.02 . 1 . . . . 897 LEU HB2 . 17332 1 1362 . 1 1 117 117 LEU HB3 H 1 1.993 0.02 . 1 . . . . 897 LEU HB3 . 17332 1 1363 . 1 1 117 117 LEU HG H 1 1.387 0.02 . 1 . . . . 897 LEU HG . 17332 1 1364 . 1 1 117 117 LEU HD11 H 1 0.862 0.02 . 1 . . . . 897 LEU HD11 . 17332 1 1365 . 1 1 117 117 LEU HD12 H 1 0.862 0.02 . 1 . . . . 897 LEU HD12 . 17332 1 1366 . 1 1 117 117 LEU HD13 H 1 0.862 0.02 . 1 . . . . 897 LEU HD13 . 17332 1 1367 . 1 1 117 117 LEU HD21 H 1 0.817 0.02 . 1 . . . . 897 LEU HD21 . 17332 1 1368 . 1 1 117 117 LEU HD22 H 1 0.817 0.02 . 1 . . . . 897 LEU HD22 . 17332 1 1369 . 1 1 117 117 LEU HD23 H 1 0.817 0.02 . 1 . . . . 897 LEU HD23 . 17332 1 1370 . 1 1 117 117 LEU C C 13 179.143 0.2 . 1 . . . . 897 LEU C . 17332 1 1371 . 1 1 117 117 LEU CA C 13 57.690 0.2 . 1 . . . . 897 LEU CA . 17332 1 1372 . 1 1 117 117 LEU CB C 13 42.154 0.2 . 1 . . . . 897 LEU CB . 17332 1 1373 . 1 1 117 117 LEU CG C 13 27.510 0.2 . 1 . . . . 897 LEU CG . 17332 1 1374 . 1 1 117 117 LEU CD1 C 13 27.460 0.2 . 1 . . . . 897 LEU CD1 . 17332 1 1375 . 1 1 117 117 LEU CD2 C 13 24.973 0.2 . 1 . . . . 897 LEU CD2 . 17332 1 1376 . 1 1 117 117 LEU N N 15 124.201 0.2 . 1 . . . . 897 LEU N . 17332 1 1377 . 1 1 118 118 ARG H H 1 8.682 0.02 . 1 . . . . 898 ARG H . 17332 1 1378 . 1 1 118 118 ARG HA H 1 3.777 0.02 . 1 . . . . 898 ARG HA . 17332 1 1379 . 1 1 118 118 ARG HB2 H 1 1.896 0.02 . 1 . . . . 898 ARG HB2 . 17332 1 1380 . 1 1 118 118 ARG HB3 H 1 1.936 0.02 . 1 . . . . 898 ARG HB3 . 17332 1 1381 . 1 1 118 118 ARG HG2 H 1 1.457 0.02 . 1 . . . . 898 ARG HG2 . 17332 1 1382 . 1 1 118 118 ARG HG3 H 1 1.734 0.02 . 1 . . . . 898 ARG HG3 . 17332 1 1383 . 1 1 118 118 ARG HD2 H 1 3.123 0.02 . 1 . . . . 898 ARG HD2 . 17332 1 1384 . 1 1 118 118 ARG HD3 H 1 3.123 0.02 . 1 . . . . 898 ARG HD3 . 17332 1 1385 . 1 1 118 118 ARG C C 13 178.768 0.2 . 1 . . . . 898 ARG C . 17332 1 1386 . 1 1 118 118 ARG CA C 13 60.605 0.2 . 1 . . . . 898 ARG CA . 17332 1 1387 . 1 1 118 118 ARG CB C 13 29.669 0.012 . 1 . . . . 898 ARG CB . 17332 1 1388 . 1 1 118 118 ARG CG C 13 28.032 0.001 . 1 . . . . 898 ARG CG . 17332 1 1389 . 1 1 118 118 ARG CD C 13 43.433 0.2 . 1 . . . . 898 ARG CD . 17332 1 1390 . 1 1 118 118 ARG N N 15 123.668 0.2 . 1 . . . . 898 ARG N . 17332 1 1391 . 1 1 119 119 MET H H 1 8.055 0.02 . 1 . . . . 899 MET H . 17332 1 1392 . 1 1 119 119 MET HA H 1 4.161 0.02 . 1 . . . . 899 MET HA . 17332 1 1393 . 1 1 119 119 MET HB2 H 1 2.097 0.02 . 1 . . . . 899 MET HB2 . 17332 1 1394 . 1 1 119 119 MET HB3 H 1 2.167 0.02 . 1 . . . . 899 MET HB3 . 17332 1 1395 . 1 1 119 119 MET HG2 H 1 2.726 0.02 . 1 . . . . 899 MET HG2 . 17332 1 1396 . 1 1 119 119 MET HG3 H 1 2.563 0.02 . 1 . . . . 899 MET HG3 . 17332 1 1397 . 1 1 119 119 MET HE1 H 1 2.033 0.02 . 1 . . . . 899 MET HE1 . 17332 1 1398 . 1 1 119 119 MET HE2 H 1 2.033 0.02 . 1 . . . . 899 MET HE2 . 17332 1 1399 . 1 1 119 119 MET HE3 H 1 2.033 0.02 . 1 . . . . 899 MET HE3 . 17332 1 1400 . 1 1 119 119 MET C C 13 179.193 0.2 . 1 . . . . 899 MET C . 17332 1 1401 . 1 1 119 119 MET CA C 13 58.757 0.2 . 1 . . . . 899 MET CA . 17332 1 1402 . 1 1 119 119 MET CB C 13 32.219 0.008 . 1 . . . . 899 MET CB . 17332 1 1403 . 1 1 119 119 MET CG C 13 32.141 0.2 . 1 . . . . 899 MET CG . 17332 1 1404 . 1 1 119 119 MET N N 15 117.489 0.2 . 1 . . . . 899 MET N . 17332 1 1405 . 1 1 120 120 ALA H H 1 8.055 0.02 . 1 . . . . 900 ALA H . 17332 1 1406 . 1 1 120 120 ALA HA H 1 4.064 0.02 . 1 . . . . 900 ALA HA . 17332 1 1407 . 1 1 120 120 ALA HB1 H 1 1.392 0.02 . 1 . . . . 900 ALA HB1 . 17332 1 1408 . 1 1 120 120 ALA HB2 H 1 1.392 0.02 . 1 . . . . 900 ALA HB2 . 17332 1 1409 . 1 1 120 120 ALA HB3 H 1 1.392 0.02 . 1 . . . . 900 ALA HB3 . 17332 1 1410 . 1 1 120 120 ALA C C 13 179.919 0.2 . 1 . . . . 900 ALA C . 17332 1 1411 . 1 1 120 120 ALA CA C 13 54.792 0.2 . 1 . . . . 900 ALA CA . 17332 1 1412 . 1 1 120 120 ALA CB C 13 19.362 0.2 . 1 . . . . 900 ALA CB . 17332 1 1413 . 1 1 120 120 ALA N N 15 122.180 0.2 . 1 . . . . 900 ALA N . 17332 1 1414 . 1 1 121 121 THR H H 1 8.437 0.02 . 1 . . . . 901 THR H . 17332 1 1415 . 1 1 121 121 THR HA H 1 3.698 0.02 . 1 . . . . 901 THR HA . 17332 1 1416 . 1 1 121 121 THR HB H 1 4.120 0.02 . 1 . . . . 901 THR HB . 17332 1 1417 . 1 1 121 121 THR HG21 H 1 1.086 0.02 . 1 . . . . 901 THR HG21 . 17332 1 1418 . 1 1 121 121 THR HG22 H 1 1.086 0.02 . 1 . . . . 901 THR HG22 . 17332 1 1419 . 1 1 121 121 THR HG23 H 1 1.086 0.02 . 1 . . . . 901 THR HG23 . 17332 1 1420 . 1 1 121 121 THR C C 13 176.040 0.2 . 1 . . . . 901 THR C . 17332 1 1421 . 1 1 121 121 THR CA C 13 67.223 0.2 . 1 . . . . 901 THR CA . 17332 1 1422 . 1 1 121 121 THR CB C 13 68.109 0.2 . 1 . . . . 901 THR CB . 17332 1 1423 . 1 1 121 121 THR CG2 C 13 22.258 0.2 . 1 . . . . 901 THR CG2 . 17332 1 1424 . 1 1 121 121 THR N N 15 115.352 0.2 . 1 . . . . 901 THR N . 17332 1 1425 . 1 1 122 122 ASN H H 1 7.960 0.02 . 1 . . . . 902 ASN H . 17332 1 1426 . 1 1 122 122 ASN HA H 1 4.430 0.02 . 1 . . . . 902 ASN HA . 17332 1 1427 . 1 1 122 122 ASN HB2 H 1 2.801 0.02 . 1 . . . . 902 ASN HB2 . 17332 1 1428 . 1 1 122 122 ASN HB3 H 1 2.709 0.02 . 1 . . . . 902 ASN HB3 . 17332 1 1429 . 1 1 122 122 ASN HD21 H 1 7.412 0.02 . 1 . . . . 902 ASN HD21 . 17332 1 1430 . 1 1 122 122 ASN HD22 H 1 6.715 0.02 . 1 . . . . 902 ASN HD22 . 17332 1 1431 . 1 1 122 122 ASN C C 13 177.517 0.2 . 1 . . . . 902 ASN C . 17332 1 1432 . 1 1 122 122 ASN CA C 13 56.149 0.2 . 1 . . . . 902 ASN CA . 17332 1 1433 . 1 1 122 122 ASN CB C 13 38.322 0.2 . 1 . . . . 902 ASN CB . 17332 1 1434 . 1 1 122 122 ASN N N 15 120.215 0.2 . 1 . . . . 902 ASN N . 17332 1 1435 . 1 1 122 122 ASN ND2 N 15 111.322 0.001 . 1 . . . . 902 ASN ND2 . 17332 1 1436 . 1 1 123 123 ALA H H 1 7.901 0.02 . 1 . . . . 903 ALA H . 17332 1 1437 . 1 1 123 123 ALA HA H 1 4.078 0.02 . 1 . . . . 903 ALA HA . 17332 1 1438 . 1 1 123 123 ALA HB1 H 1 1.420 0.02 . 1 . . . . 903 ALA HB1 . 17332 1 1439 . 1 1 123 123 ALA HB2 H 1 1.420 0.02 . 1 . . . . 903 ALA HB2 . 17332 1 1440 . 1 1 123 123 ALA HB3 H 1 1.420 0.02 . 1 . . . . 903 ALA HB3 . 17332 1 1441 . 1 1 123 123 ALA C C 13 179.875 0.2 . 1 . . . . 903 ALA C . 17332 1 1442 . 1 1 123 123 ALA CA C 13 54.778 0.2 . 1 . . . . 903 ALA CA . 17332 1 1443 . 1 1 123 123 ALA CB C 13 18.177 0.2 . 1 . . . . 903 ALA CB . 17332 1 1444 . 1 1 123 123 ALA N N 15 120.833 0.2 . 1 . . . . 903 ALA N . 17332 1 1445 . 1 1 124 124 ALA H H 1 7.724 0.02 . 1 . . . . 904 ALA H . 17332 1 1446 . 1 1 124 124 ALA HA H 1 3.927 0.02 . 1 . . . . 904 ALA HA . 17332 1 1447 . 1 1 124 124 ALA HB1 H 1 1.302 0.02 . 1 . . . . 904 ALA HB1 . 17332 1 1448 . 1 1 124 124 ALA HB2 H 1 1.302 0.02 . 1 . . . . 904 ALA HB2 . 17332 1 1449 . 1 1 124 124 ALA HB3 H 1 1.302 0.02 . 1 . . . . 904 ALA HB3 . 17332 1 1450 . 1 1 124 124 ALA C C 13 178.420 0.2 . 1 . . . . 904 ALA C . 17332 1 1451 . 1 1 124 124 ALA CA C 13 54.664 0.2 . 1 . . . . 904 ALA CA . 17332 1 1452 . 1 1 124 124 ALA CB C 13 17.576 0.2 . 1 . . . . 904 ALA CB . 17332 1 1453 . 1 1 124 124 ALA N N 15 120.037 0.2 . 1 . . . . 904 ALA N . 17332 1 1454 . 1 1 125 125 ALA H H 1 7.821 0.02 . 1 . . . . 905 ALA H . 17332 1 1455 . 1 1 125 125 ALA HA H 1 4.171 0.02 . 1 . . . . 905 ALA HA . 17332 1 1456 . 1 1 125 125 ALA HB1 H 1 1.512 0.02 . 1 . . . . 905 ALA HB1 . 17332 1 1457 . 1 1 125 125 ALA HB2 H 1 1.512 0.02 . 1 . . . . 905 ALA HB2 . 17332 1 1458 . 1 1 125 125 ALA HB3 H 1 1.512 0.02 . 1 . . . . 905 ALA HB3 . 17332 1 1459 . 1 1 125 125 ALA C C 13 179.565 0.2 . 1 . . . . 905 ALA C . 17332 1 1460 . 1 1 125 125 ALA CA C 13 54.178 0.2 . 1 . . . . 905 ALA CA . 17332 1 1461 . 1 1 125 125 ALA CB C 13 18.722 0.2 . 1 . . . . 905 ALA CB . 17332 1 1462 . 1 1 125 125 ALA N N 15 118.119 0.2 . 1 . . . . 905 ALA N . 17332 1 1463 . 1 1 126 126 GLN H H 1 7.826 0.02 . 1 . . . . 906 GLN H . 17332 1 1464 . 1 1 126 126 GLN HA H 1 4.110 0.02 . 1 . . . . 906 GLN HA . 17332 1 1465 . 1 1 126 126 GLN HB2 H 1 2.103 0.02 . 1 . . . . 906 GLN HB2 . 17332 1 1466 . 1 1 126 126 GLN HB3 H 1 2.032 0.02 . 1 . . . . 906 GLN HB3 . 17332 1 1467 . 1 1 126 126 GLN HG2 H 1 2.405 0.02 . 1 . . . . 906 GLN HG2 . 17332 1 1468 . 1 1 126 126 GLN HG3 H 1 2.405 0.02 . 1 . . . . 906 GLN HG3 . 17332 1 1469 . 1 1 126 126 GLN HE21 H 1 7.391 0.02 . 1 . . . . 906 GLN HE21 . 17332 1 1470 . 1 1 126 126 GLN HE22 H 1 6.758 0.02 . 1 . . . . 906 GLN HE22 . 17332 1 1471 . 1 1 126 126 GLN C C 13 176.870 0.2 . 1 . . . . 906 GLN C . 17332 1 1472 . 1 1 126 126 GLN CA C 13 56.956 0.2 . 1 . . . . 906 GLN CA . 17332 1 1473 . 1 1 126 126 GLN CB C 13 28.592 0.003 . 1 . . . . 906 GLN CB . 17332 1 1474 . 1 1 126 126 GLN CG C 13 33.803 0.2 . 1 . . . . 906 GLN CG . 17332 1 1475 . 1 1 126 126 GLN N N 15 115.768 0.2 . 1 . . . . 906 GLN N . 17332 1 1476 . 1 1 126 126 GLN NE2 N 15 112.121 0.012 . 1 . . . . 906 GLN NE2 . 17332 1 1477 . 1 1 127 127 ASN H H 1 7.827 0.02 . 1 . . . . 907 ASN H . 17332 1 1478 . 1 1 127 127 ASN HA H 1 4.602 0.02 . 1 . . . . 907 ASN HA . 17332 1 1479 . 1 1 127 127 ASN HB2 H 1 2.717 0.02 . 1 . . . . 907 ASN HB2 . 17332 1 1480 . 1 1 127 127 ASN HB3 H 1 2.717 0.02 . 1 . . . . 907 ASN HB3 . 17332 1 1481 . 1 1 127 127 ASN HD21 H 1 7.415 0.02 . 1 . . . . 907 ASN HD21 . 17332 1 1482 . 1 1 127 127 ASN HD22 H 1 6.875 0.02 . 1 . . . . 907 ASN HD22 . 17332 1 1483 . 1 1 127 127 ASN C C 13 174.485 0.2 . 1 . . . . 907 ASN C . 17332 1 1484 . 1 1 127 127 ASN CA C 13 54.078 0.2 . 1 . . . . 907 ASN CA . 17332 1 1485 . 1 1 127 127 ASN CB C 13 39.481 0.2 . 1 . . . . 907 ASN CB . 17332 1 1486 . 1 1 127 127 ASN N N 15 116.824 0.2 . 1 . . . . 907 ASN N . 17332 1 1487 . 1 1 127 127 ASN ND2 N 15 112.406 0.2 . 1 . . . . 907 ASN ND2 . 17332 1 1488 . 1 1 128 128 ALA H H 1 7.785 0.02 . 1 . . . . 908 ALA H . 17332 1 1489 . 1 1 128 128 ALA HA H 1 4.260 0.02 . 1 . . . . 908 ALA HA . 17332 1 1490 . 1 1 128 128 ALA HB1 H 1 1.280 0.02 . 1 . . . . 908 ALA HB1 . 17332 1 1491 . 1 1 128 128 ALA HB2 H 1 1.280 0.02 . 1 . . . . 908 ALA HB2 . 17332 1 1492 . 1 1 128 128 ALA HB3 H 1 1.280 0.02 . 1 . . . . 908 ALA HB3 . 17332 1 1493 . 1 1 128 128 ALA C C 13 176.894 0.2 . 1 . . . . 908 ALA C . 17332 1 1494 . 1 1 128 128 ALA CA C 13 52.484 0.2 . 1 . . . . 908 ALA CA . 17332 1 1495 . 1 1 128 128 ALA CB C 13 19.769 0.2 . 1 . . . . 908 ALA CB . 17332 1 1496 . 1 1 128 128 ALA N N 15 121.698 0.2 . 1 . . . . 908 ALA N . 17332 1 1497 . 1 1 129 129 ILE H H 1 7.736 0.02 . 1 . . . . 909 ILE H . 17332 1 1498 . 1 1 129 129 ILE HA H 1 4.030 0.02 . 1 . . . . 909 ILE HA . 17332 1 1499 . 1 1 129 129 ILE HB H 1 1.795 0.02 . 1 . . . . 909 ILE HB . 17332 1 1500 . 1 1 129 129 ILE HG12 H 1 1.107 0.02 . 1 . . . . 909 ILE HG12 . 17332 1 1501 . 1 1 129 129 ILE HG13 H 1 1.407 0.02 . 1 . . . . 909 ILE HG13 . 17332 1 1502 . 1 1 129 129 ILE HG21 H 1 0.799 0.02 . 1 . . . . 909 ILE HG21 . 17332 1 1503 . 1 1 129 129 ILE HG22 H 1 0.799 0.02 . 1 . . . . 909 ILE HG22 . 17332 1 1504 . 1 1 129 129 ILE HG23 H 1 0.799 0.02 . 1 . . . . 909 ILE HG23 . 17332 1 1505 . 1 1 129 129 ILE HD11 H 1 0.753 0.02 . 1 . . . . 909 ILE HD11 . 17332 1 1506 . 1 1 129 129 ILE HD12 H 1 0.753 0.02 . 1 . . . . 909 ILE HD12 . 17332 1 1507 . 1 1 129 129 ILE HD13 H 1 0.753 0.02 . 1 . . . . 909 ILE HD13 . 17332 1 1508 . 1 1 129 129 ILE C C 13 175.903 0.2 . 1 . . . . 909 ILE C . 17332 1 1509 . 1 1 129 129 ILE CA C 13 61.021 0.2 . 1 . . . . 909 ILE CA . 17332 1 1510 . 1 1 129 129 ILE CB C 13 38.482 0.2 . 1 . . . . 909 ILE CB . 17332 1 1511 . 1 1 129 129 ILE CG1 C 13 27.259 0.002 . 1 . . . . 909 ILE CG1 . 17332 1 1512 . 1 1 129 129 ILE CG2 C 13 17.641 0.2 . 1 . . . . 909 ILE CG2 . 17332 1 1513 . 1 1 129 129 ILE CD1 C 13 12.878 0.2 . 1 . . . . 909 ILE CD1 . 17332 1 1514 . 1 1 129 129 ILE N N 15 118.813 0.2 . 1 . . . . 909 ILE N . 17332 1 1515 . 1 1 130 130 LYS H H 1 8.374 0.02 . 1 . . . . 910 LYS H . 17332 1 1516 . 1 1 130 130 LYS HA H 1 4.255 0.02 . 1 . . . . 910 LYS HA . 17332 1 1517 . 1 1 130 130 LYS HB2 H 1 1.754 0.02 . 1 . . . . 910 LYS HB2 . 17332 1 1518 . 1 1 130 130 LYS HB3 H 1 1.664 0.02 . 1 . . . . 910 LYS HB3 . 17332 1 1519 . 1 1 130 130 LYS HG2 H 1 1.370 0.02 . 1 . . . . 910 LYS HG2 . 17332 1 1520 . 1 1 130 130 LYS HG3 H 1 1.320 0.02 . 1 . . . . 910 LYS HG3 . 17332 1 1521 . 1 1 130 130 LYS HD2 H 1 1.585 0.02 . 1 . . . . 910 LYS HD2 . 17332 1 1522 . 1 1 130 130 LYS HD3 H 1 1.585 0.02 . 1 . . . . 910 LYS HD3 . 17332 1 1523 . 1 1 130 130 LYS HE2 H 1 2.907 0.02 . 1 . . . . 910 LYS HE2 . 17332 1 1524 . 1 1 130 130 LYS HE3 H 1 2.907 0.02 . 1 . . . . 910 LYS HE3 . 17332 1 1525 . 1 1 130 130 LYS C C 13 175.298 0.2 . 1 . . . . 910 LYS C . 17332 1 1526 . 1 1 130 130 LYS CA C 13 56.237 0.2 . 1 . . . . 910 LYS CA . 17332 1 1527 . 1 1 130 130 LYS CB C 13 32.889 0.2 . 1 . . . . 910 LYS CB . 17332 1 1528 . 1 1 130 130 LYS CG C 13 24.663 0.001 . 1 . . . . 910 LYS CG . 17332 1 1529 . 1 1 130 130 LYS CD C 13 29.086 0.2 . 1 . . . . 910 LYS CD . 17332 1 1530 . 1 1 130 130 LYS CE C 13 42.134 0.2 . 1 . . . . 910 LYS CE . 17332 1 1531 . 1 1 130 130 LYS N N 15 126.631 0.2 . 1 . . . . 910 LYS N . 17332 1 1532 . 1 1 131 131 LYS H H 1 7.972 0.02 . 1 . . . . 911 LYS H . 17332 1 1533 . 1 1 131 131 LYS HA H 1 4.070 0.02 . 1 . . . . 911 LYS HA . 17332 1 1534 . 1 1 131 131 LYS HB2 H 1 1.724 0.02 . 1 . . . . 911 LYS HB2 . 17332 1 1535 . 1 1 131 131 LYS HB3 H 1 1.612 0.02 . 1 . . . . 911 LYS HB3 . 17332 1 1536 . 1 1 131 131 LYS HG2 H 1 1.301 0.02 . 1 . . . . 911 LYS HG2 . 17332 1 1537 . 1 1 131 131 LYS HG3 H 1 1.301 0.02 . 1 . . . . 911 LYS HG3 . 17332 1 1538 . 1 1 131 131 LYS HD2 H 1 1.593 0.02 . 1 . . . . 911 LYS HD2 . 17332 1 1539 . 1 1 131 131 LYS HD3 H 1 1.593 0.02 . 1 . . . . 911 LYS HD3 . 17332 1 1540 . 1 1 131 131 LYS HE2 H 1 2.905 0.02 . 1 . . . . 911 LYS HE2 . 17332 1 1541 . 1 1 131 131 LYS HE3 H 1 2.905 0.02 . 1 . . . . 911 LYS HE3 . 17332 1 1542 . 1 1 131 131 LYS CA C 13 57.623 0.2 . 1 . . . . 911 LYS CA . 17332 1 1543 . 1 1 131 131 LYS CB C 13 33.709 0.001 . 1 . . . . 911 LYS CB . 17332 1 1544 . 1 1 131 131 LYS CG C 13 24.752 0.2 . 1 . . . . 911 LYS CG . 17332 1 1545 . 1 1 131 131 LYS CD C 13 29.088 0.2 . 1 . . . . 911 LYS CD . 17332 1 1546 . 1 1 131 131 LYS CE C 13 42.069 0.2 . 1 . . . . 911 LYS CE . 17332 1 1547 . 1 1 131 131 LYS N N 15 128.927 0.2 . 1 . . . . 911 LYS N . 17332 1 stop_ save_