data_53779 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53779 _Entry.Title ; Apo form of calmodulin-like domain of human alpha-actinin-4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2026-05-13 _Entry.Accession_date 2026-05-13 _Entry.Last_release_date 2026-05-13 _Entry.Original_release_date 2026-05-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; This BMRB entry contains a full chemical shift assignment for all 1H, 15N, and 13C nuclei of the apo form of human alpha-actinin-4 ; _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Jost Hocevar . . . 0009-0004-4578-5419 53779 2 Matic Kovacic . . . 0000-0002-8150-9479 53779 3 Janez Plavec . . . 0000-0003-1570-8602 53779 4 Kristina Djinovic-Carugo . . . 0000-0003-0252-2972 53779 5 Miha Pavsic . . . 0000-0002-2230-1758 53779 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . ; Department of Chemistry and Biochemistry, Faculty of Chemistry and Chemical Technology, University of Ljubljana, Ljubljana, Slovenia ; . 53779 2 . 'Slovenian NMR Centre, National Institute of Chemistry, Ljubljana, Slovenia' . 53779 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53779 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 639 53779 '15N chemical shifts' 161 53779 '1H chemical shifts' 1046 53779 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 . . 2026-10-21 . original BMRB . 53779 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53778 'Holo form of calmodulin-like domain of human alpha-actinin-4' 53779 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53779 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 42874945 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Distinct Ca2+-binding thermodynamics reveal a paralogue-specific structural response in the calmodulin-like domain of alpha-actinin-4 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Int. J. Biol. Macromol.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1879-0003 _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 154866 _Citation.Page_last 154866 _Citation.Year 2026 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jost Hocevar . . . . 53779 1 2 Matic Kovacic . . . . 53779 1 3 Janez Plavec . . . . 53779 1 4 Kristina Djinovic-Carugo . . . . 53779 1 5 Miha Pavsic . . . . 53779 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53779 _Assembly.ID 1 _Assembly.Name 'ACTN4 CaMD domain in apo form' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 16972.71 _Assembly.Enzyme_commission_number . _Assembly.Details 'Apo form of calmodulin-like domain of human alpha-actinin-4.' _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 'ACTN4 CaMD protein' 1 $entity_1 . . yes native no no . . . 53779 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53779 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSISQEQMQEFRASFNHFD KDHGGALGPEEFKACLISLG YDVENDRQGEAEFNRIMSLV DPNHSGLVTFQAFIDFMSRE TTDTDTADQVIASFKVLAGD KNFITAEELRRELPPDQAEY CIARMAPYQGPDAVPGALDY KSFSTALYGESDL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-3 represent a non-native affinity tag. This is the GSS linker.' _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 153 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16972.71 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP O43707 . ACTN4_HUMAN . . . . . . . . . . . . . . 53779 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'F-actin cross-linking protein, which is thought to anchor actin to a variety of intracellular structures.' 53779 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 1 759 GLY . 53779 1 2 760 SER . 53779 1 3 761 SER . 53779 1 4 762 ILE . 53779 1 5 763 SER . 53779 1 6 764 GLN . 53779 1 7 765 GLU . 53779 1 8 766 GLN . 53779 1 9 767 MET . 53779 1 10 768 GLN . 53779 1 11 769 GLU . 53779 1 12 770 PHE . 53779 1 13 771 ARG . 53779 1 14 772 ALA . 53779 1 15 773 SER . 53779 1 16 774 PHE . 53779 1 17 775 ASN . 53779 1 18 776 HIS . 53779 1 19 777 PHE . 53779 1 20 778 ASP . 53779 1 21 779 LYS . 53779 1 22 780 ASP . 53779 1 23 781 HIS . 53779 1 24 782 GLY . 53779 1 25 783 GLY . 53779 1 26 784 ALA . 53779 1 27 785 LEU . 53779 1 28 786 GLY . 53779 1 29 787 PRO . 53779 1 30 788 GLU . 53779 1 31 789 GLU . 53779 1 32 790 PHE . 53779 1 33 791 LYS . 53779 1 34 792 ALA . 53779 1 35 793 CYS . 53779 1 36 794 LEU . 53779 1 37 795 ILE . 53779 1 38 796 SER . 53779 1 39 797 LEU . 53779 1 40 798 GLY . 53779 1 41 799 TYR . 53779 1 42 800 ASP . 53779 1 43 801 VAL . 53779 1 44 802 GLU . 53779 1 45 803 ASN . 53779 1 46 804 ASP . 53779 1 47 805 ARG . 53779 1 48 806 GLN . 53779 1 49 807 GLY . 53779 1 50 808 GLU . 53779 1 51 809 ALA . 53779 1 52 810 GLU . 53779 1 53 811 PHE . 53779 1 54 812 ASN . 53779 1 55 813 ARG . 53779 1 56 814 ILE . 53779 1 57 815 MET . 53779 1 58 816 SER . 53779 1 59 817 LEU . 53779 1 60 818 VAL . 53779 1 61 819 ASP . 53779 1 62 820 PRO . 53779 1 63 821 ASN . 53779 1 64 822 HIS . 53779 1 65 823 SER . 53779 1 66 824 GLY . 53779 1 67 825 LEU . 53779 1 68 826 VAL . 53779 1 69 827 THR . 53779 1 70 828 PHE . 53779 1 71 829 GLN . 53779 1 72 830 ALA . 53779 1 73 831 PHE . 53779 1 74 832 ILE . 53779 1 75 833 ASP . 53779 1 76 834 PHE . 53779 1 77 835 MET . 53779 1 78 836 SER . 53779 1 79 837 ARG . 53779 1 80 838 GLU . 53779 1 81 839 THR . 53779 1 82 840 THR . 53779 1 83 841 ASP . 53779 1 84 842 THR . 53779 1 85 843 ASP . 53779 1 86 844 THR . 53779 1 87 845 ALA . 53779 1 88 846 ASP . 53779 1 89 847 GLN . 53779 1 90 848 VAL . 53779 1 91 849 ILE . 53779 1 92 850 ALA . 53779 1 93 851 SER . 53779 1 94 852 PHE . 53779 1 95 853 LYS . 53779 1 96 854 VAL . 53779 1 97 855 LEU . 53779 1 98 856 ALA . 53779 1 99 857 GLY . 53779 1 100 858 ASP . 53779 1 101 859 LYS . 53779 1 102 860 ASN . 53779 1 103 861 PHE . 53779 1 104 862 ILE . 53779 1 105 863 THR . 53779 1 106 864 ALA . 53779 1 107 865 GLU . 53779 1 108 866 GLU . 53779 1 109 867 LEU . 53779 1 110 868 ARG . 53779 1 111 869 ARG . 53779 1 112 870 GLU . 53779 1 113 871 LEU . 53779 1 114 872 PRO . 53779 1 115 873 PRO . 53779 1 116 874 ASP . 53779 1 117 875 GLN . 53779 1 118 876 ALA . 53779 1 119 877 GLU . 53779 1 120 878 TYR . 53779 1 121 879 CYS . 53779 1 122 880 ILE . 53779 1 123 881 ALA . 53779 1 124 882 ARG . 53779 1 125 883 MET . 53779 1 126 884 ALA . 53779 1 127 885 PRO . 53779 1 128 886 TYR . 53779 1 129 887 GLN . 53779 1 130 888 GLY . 53779 1 131 889 PRO . 53779 1 132 890 ASP . 53779 1 133 891 ALA . 53779 1 134 892 VAL . 53779 1 135 893 PRO . 53779 1 136 894 GLY . 53779 1 137 895 ALA . 53779 1 138 896 LEU . 53779 1 139 897 ASP . 53779 1 140 898 TYR . 53779 1 141 899 LYS . 53779 1 142 900 SER . 53779 1 143 901 PHE . 53779 1 144 902 SER . 53779 1 145 903 THR . 53779 1 146 904 ALA . 53779 1 147 905 LEU . 53779 1 148 906 TYR . 53779 1 149 907 GLY . 53779 1 150 908 GLU . 53779 1 151 909 SER . 53779 1 152 910 ASP . 53779 1 153 911 LEU . 53779 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 53779 1 . SER 2 2 53779 1 . SER 3 3 53779 1 . ILE 4 4 53779 1 . SER 5 5 53779 1 . GLN 6 6 53779 1 . GLU 7 7 53779 1 . GLN 8 8 53779 1 . MET 9 9 53779 1 . GLN 10 10 53779 1 . GLU 11 11 53779 1 . PHE 12 12 53779 1 . ARG 13 13 53779 1 . ALA 14 14 53779 1 . SER 15 15 53779 1 . PHE 16 16 53779 1 . ASN 17 17 53779 1 . HIS 18 18 53779 1 . PHE 19 19 53779 1 . ASP 20 20 53779 1 . LYS 21 21 53779 1 . ASP 22 22 53779 1 . HIS 23 23 53779 1 . GLY 24 24 53779 1 . GLY 25 25 53779 1 . ALA 26 26 53779 1 . LEU 27 27 53779 1 . GLY 28 28 53779 1 . PRO 29 29 53779 1 . GLU 30 30 53779 1 . GLU 31 31 53779 1 . PHE 32 32 53779 1 . LYS 33 33 53779 1 . ALA 34 34 53779 1 . CYS 35 35 53779 1 . LEU 36 36 53779 1 . ILE 37 37 53779 1 . SER 38 38 53779 1 . LEU 39 39 53779 1 . GLY 40 40 53779 1 . TYR 41 41 53779 1 . ASP 42 42 53779 1 . VAL 43 43 53779 1 . GLU 44 44 53779 1 . ASN 45 45 53779 1 . ASP 46 46 53779 1 . ARG 47 47 53779 1 . GLN 48 48 53779 1 . GLY 49 49 53779 1 . GLU 50 50 53779 1 . ALA 51 51 53779 1 . GLU 52 52 53779 1 . PHE 53 53 53779 1 . ASN 54 54 53779 1 . ARG 55 55 53779 1 . ILE 56 56 53779 1 . MET 57 57 53779 1 . SER 58 58 53779 1 . LEU 59 59 53779 1 . VAL 60 60 53779 1 . ASP 61 61 53779 1 . PRO 62 62 53779 1 . ASN 63 63 53779 1 . HIS 64 64 53779 1 . SER 65 65 53779 1 . GLY 66 66 53779 1 . LEU 67 67 53779 1 . VAL 68 68 53779 1 . THR 69 69 53779 1 . PHE 70 70 53779 1 . GLN 71 71 53779 1 . ALA 72 72 53779 1 . PHE 73 73 53779 1 . ILE 74 74 53779 1 . ASP 75 75 53779 1 . PHE 76 76 53779 1 . MET 77 77 53779 1 . SER 78 78 53779 1 . ARG 79 79 53779 1 . GLU 80 80 53779 1 . THR 81 81 53779 1 . THR 82 82 53779 1 . ASP 83 83 53779 1 . THR 84 84 53779 1 . ASP 85 85 53779 1 . THR 86 86 53779 1 . ALA 87 87 53779 1 . ASP 88 88 53779 1 . GLN 89 89 53779 1 . VAL 90 90 53779 1 . ILE 91 91 53779 1 . ALA 92 92 53779 1 . SER 93 93 53779 1 . PHE 94 94 53779 1 . LYS 95 95 53779 1 . VAL 96 96 53779 1 . LEU 97 97 53779 1 . ALA 98 98 53779 1 . GLY 99 99 53779 1 . ASP 100 100 53779 1 . LYS 101 101 53779 1 . ASN 102 102 53779 1 . PHE 103 103 53779 1 . ILE 104 104 53779 1 . THR 105 105 53779 1 . ALA 106 106 53779 1 . GLU 107 107 53779 1 . GLU 108 108 53779 1 . LEU 109 109 53779 1 . ARG 110 110 53779 1 . ARG 111 111 53779 1 . GLU 112 112 53779 1 . LEU 113 113 53779 1 . PRO 114 114 53779 1 . PRO 115 115 53779 1 . ASP 116 116 53779 1 . GLN 117 117 53779 1 . ALA 118 118 53779 1 . GLU 119 119 53779 1 . TYR 120 120 53779 1 . CYS 121 121 53779 1 . ILE 122 122 53779 1 . ALA 123 123 53779 1 . ARG 124 124 53779 1 . MET 125 125 53779 1 . ALA 126 126 53779 1 . PRO 127 127 53779 1 . TYR 128 128 53779 1 . GLN 129 129 53779 1 . GLY 130 130 53779 1 . PRO 131 131 53779 1 . ASP 132 132 53779 1 . ALA 133 133 53779 1 . VAL 134 134 53779 1 . PRO 135 135 53779 1 . GLY 136 136 53779 1 . ALA 137 137 53779 1 . LEU 138 138 53779 1 . ASP 139 139 53779 1 . TYR 140 140 53779 1 . LYS 141 141 53779 1 . SER 142 142 53779 1 . PHE 143 143 53779 1 . SER 144 144 53779 1 . THR 145 145 53779 1 . ALA 146 146 53779 1 . LEU 147 147 53779 1 . TYR 148 148 53779 1 . GLY 149 149 53779 1 . GLU 150 150 53779 1 . SER 151 151 53779 1 . ASP 152 152 53779 1 . LEU 153 153 53779 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53779 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . ACTN4 . 53779 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 53779 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) pLysS . plasmid . . pET-22b . . . 53779 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53779 _Sample.ID 1 _Sample.Name ACTN4_CaMD_apo _Sample.Type solution _Sample.Sub_type . _Sample.Details ; All protein samples were prepared in 150 mM NaCl, 20 mM HEPES pH 7.4, 2 mM TCEP, with an initial concentration of 1 mM (17 mg mL-1). D2O was added to a final concentration of 5 % before data acquisition. ; _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'calmodulin-ike domain of human alpha-actinin-4' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 53779 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 53779 1 3 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 53779 1 4 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 53779 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 53779 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 53779 1 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 53779 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'ACTN4_CaMD_apo form NMR sample' _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' 150 . mM 53779 1 pH 7.4 . pH 53779 1 pressure 1 . atm 53779 1 temperature 298 . K 53779 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53779 _Software.ID 1 _Software.Type . _Software.Name ARTINA _Software.Version . _Software.DOI . _Software.Details 'ARTINA algorithm running on NMRtist cloud computing service provided by Bruker and ETH Zurich' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53779 1 'peak picking' . 53779 1 processing . 53779 1 'structure solution' . 53779 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53779 _Software.ID 2 _Software.Type . _Software.Name YASARA _Software.Version 14.7.17 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 53779 2 'structure solution' . 53779 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53779 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 1.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 53779 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 53779 _Software.ID 4 _Software.Type . _Software.Name CARA _Software.Version 1.9.1.7 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53779 4 'data analysis' . 53779 4 'peak picking' . 53779 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 53779 _Software.ID 5 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.3 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53779 5 'data analysis' . 53779 5 processing . 53779 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 53779 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance Neo 600 MHz NMR spectrometer' _NMR_spectrometer.Details 'Equipped with proton-optimized and QCI (quadruple resonance NMR inverse) cryoprobe.' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53779 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1D 1H' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53779 1 2 '2D 1H-15N HSQC' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53779 1 3 '3D HNCACB' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53779 1 4 '3D HN(CO)CACB' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53779 1 5 '3D HNCO' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53779 1 6 '3D HNCACO' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53779 1 7 '3D HBHA(CO)NH' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53779 1 8 '3D 1H-15N NOESY' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53779 1 9 '2D 1H-13C HSQC' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53779 1 10 '3D CCH-TOCSY' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53779 1 11 '3D HCCH-TOCSY' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53779 1 12 '3D 1H-13C NOESY' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53779 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '1D 1H' 1D_1H.zip . 'Time-domain (raw spectral data)' . . 53779 1 2 '2D 1H-15N HSQC' 2D_15N_HSQC.zip . 'Time-domain (raw spectral data)' . . 53779 1 3 '3D HNCACB' 3D_HNCACB.zip . 'Time-domain (raw spectral data)' . . 53779 1 4 '3D HN(CO)CACB' 3D_HNCOCACB.zip . 'Time-domain (raw spectral data)' . . 53779 1 5 '3D HNCO' 3D_HNCO.zip . 'Time-domain (raw spectral data)' . . 53779 1 6 '3D HNCACO' 3D_HNCACO.zip . 'Time-domain (raw spectral data)' . . 53779 1 7 '3D HBHA(CO)NH' 3D_HBHACONH.zip . 'Time-domain (raw spectral data)' . . 53779 1 8 '3D 1H-15N NOESY' 3D_15N_HSQC_NOESY.zip . 'Time-domain (raw spectral data)' . . 53779 1 9 '2D 1H-13C HSQC' 2D_13C_HSQC.zip . 'Time-domain (raw spectral data)' . . 53779 1 10 '3D CCH-TOCSY' 3D_CCH_TOCSY.zip . 'Time-domain (raw spectral data)' . . 53779 1 11 '3D HCCH-TOCSY' 3D_HCCH_TOCSY.zip . 'Time-domain (raw spectral data)' . . 53779 1 12 '3D 1H-13C NOESY' 3D_13C_HSQC_NOESY.zip . 'Time-domain (raw spectral data)' . . 53779 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 53779 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'ACTN4_CaMD NMR reference' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 2.7 external direct 1 . . . . . 53779 1 H 1 DSS 'methyl protons' . . . . ppm 0.072 external direct 1 . . . . . 53779 1 N 15 DSS 'methyl protons' . . . . ppm 0.072 external indirect . . . . . . 53779 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53779 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'ACTN4_CaMD_apo form chemical shifts' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-15N HSQC' . . . 53779 1 3 '3D HNCACB' . . . 53779 1 4 '3D HN(CO)CACB' . . . 53779 1 5 '3D HNCO' . . . 53779 1 6 '3D HNCACO' . . . 53779 1 7 '3D HBHA(CO)NH' . . . 53779 1 8 '3D 1H-15N NOESY' . . . 53779 1 9 '2D 1H-13C HSQC' . . . 53779 1 10 '3D CCH-TOCSY' . . . 53779 1 11 '3D HCCH-TOCSY' . . . 53779 1 12 '3D 1H-13C NOESY' . . . 53779 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53779 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY H H 1 8.497 0.010 . . . . . . . 759 G H . 53779 1 2 . 1 . 1 1 1 GLY HA2 H 1 3.819 0.010 . . . . . . . 759 G HA2 . 53779 1 3 . 1 . 1 1 1 GLY HA3 H 1 4.275 0.000 . . . . . . . 759 G HA3 . 53779 1 4 . 1 . 1 1 1 GLY C C 13 174.728 0.010 . . . . . . . 759 G C . 53779 1 5 . 1 . 1 1 1 GLY CA C 13 45.736 0.000 . . . . . . . 759 G CA . 53779 1 6 . 1 . 1 2 2 SER H H 1 7.865 0.000 . . . . . . . 760 S H . 53779 1 7 . 1 . 1 2 2 SER HA H 1 4.542 0.000 . . . . . . . 760 S HA . 53779 1 8 . 1 . 1 2 2 SER HB2 H 1 3.509 0.010 . . . . . . . 760 S HB2 . 53779 1 9 . 1 . 1 2 2 SER HB3 H 1 3.870 0.010 . . . . . . . 760 S HB3 . 53779 1 10 . 1 . 1 2 2 SER C C 13 174.803 0.010 . . . . . . . 760 S C . 53779 1 11 . 1 . 1 2 2 SER CA C 13 58.280 0.000 . . . . . . . 760 S CA . 53779 1 12 . 1 . 1 2 2 SER CB C 13 64.041 0.000 . . . . . . . 760 S CB . 53779 1 13 . 1 . 1 2 2 SER N N 15 116.519 0.000 . . . . . . . 760 S N . 53779 1 14 . 1 . 1 3 3 SER H H 1 8.148 0.000 . . . . . . . 761 S H . 53779 1 15 . 1 . 1 3 3 SER HA H 1 3.876 0.000 . . . . . . . 761 S HA . 53779 1 16 . 1 . 1 3 3 SER HB2 H 1 4.227 0.010 . . . . . . . 761 S HB2 . 53779 1 17 . 1 . 1 3 3 SER HB3 H 1 4.539 0.000 . . . . . . . 761 S HB3 . 53779 1 18 . 1 . 1 3 3 SER C C 13 174.002 0.000 . . . . . . . 761 S C . 53779 1 19 . 1 . 1 3 3 SER CA C 13 58.422 0.000 . . . . . . . 761 S CA . 53779 1 20 . 1 . 1 3 3 SER CB C 13 64.064 0.000 . . . . . . . 761 S CB . 53779 1 21 . 1 . 1 3 3 SER N N 15 122.302 0.000 . . . . . . . 761 S N . 53779 1 22 . 1 . 1 4 4 ILE H H 1 8.147 0.000 . . . . . . . 762 I H . 53779 1 23 . 1 . 1 4 4 ILE HA H 1 4.362 0.000 . . . . . . . 762 I HA . 53779 1 24 . 1 . 1 4 4 ILE HB H 1 1.847 0.000 . . . . . . . 762 I HB . 53779 1 25 . 1 . 1 4 4 ILE HG12 H 1 1.218 0.000 . . . . . . . 762 I HG12 . 53779 1 26 . 1 . 1 4 4 ILE HG13 H 1 1.553 0.000 . . . . . . . 762 I HG13 . 53779 1 27 . 1 . 1 4 4 ILE HG21 H 1 1.024 0.000 . . . . . . . 762 I QG2 . 53779 1 28 . 1 . 1 4 4 ILE HG22 H 1 1.024 0.000 . . . . . . . 762 I QG2 . 53779 1 29 . 1 . 1 4 4 ILE HG23 H 1 1.024 0.000 . . . . . . . 762 I QG2 . 53779 1 30 . 1 . 1 4 4 ILE HD11 H 1 0.867 0.000 . . . . . . . 762 I QD1 . 53779 1 31 . 1 . 1 4 4 ILE HD12 H 1 0.867 0.000 . . . . . . . 762 I QD1 . 53779 1 32 . 1 . 1 4 4 ILE HD13 H 1 0.867 0.000 . . . . . . . 762 I QD1 . 53779 1 33 . 1 . 1 4 4 ILE C C 13 176.139 0.000 . . . . . . . 762 I C . 53779 1 34 . 1 . 1 4 4 ILE CA C 13 60.645 0.000 . . . . . . . 762 I CA . 53779 1 35 . 1 . 1 4 4 ILE CB C 13 39.010 0.000 . . . . . . . 762 I CB . 53779 1 36 . 1 . 1 4 4 ILE CG1 C 13 27.091 0.000 . . . . . . . 762 I CG1 . 53779 1 37 . 1 . 1 4 4 ILE CG2 C 13 17.996 0.000 . . . . . . . 762 I CG2 . 53779 1 38 . 1 . 1 4 4 ILE CD1 C 13 13.439 0.000 . . . . . . . 762 I CD1 . 53779 1 39 . 1 . 1 4 4 ILE N N 15 122.323 0.000 . . . . . . . 762 I N . 53779 1 40 . 1 . 1 5 5 SER H H 1 8.855 0.000 . . . . . . . 763 S H . 53779 1 41 . 1 . 1 5 5 SER HA H 1 4.499 0.000 . . . . . . . 763 S HA . 53779 1 42 . 1 . 1 5 5 SER HB2 H 1 4.061 0.000 . . . . . . . 763 S HB2 . 53779 1 43 . 1 . 1 5 5 SER HB3 H 1 4.410 0.000 . . . . . . . 763 S HB3 . 53779 1 44 . 1 . 1 5 5 SER C C 13 175.002 0.000 . . . . . . . 763 S C . 53779 1 45 . 1 . 1 5 5 SER CA C 13 57.724 0.000 . . . . . . . 763 S CA . 53779 1 46 . 1 . 1 5 5 SER CB C 13 65.340 0.000 . . . . . . . 763 S CB . 53779 1 47 . 1 . 1 5 5 SER N N 15 123.472 0.000 . . . . . . . 763 S N . 53779 1 48 . 1 . 1 6 6 GLN H H 1 8.847 0.000 . . . . . . . 764 Q H . 53779 1 49 . 1 . 1 6 6 GLN HA H 1 4.072 0.000 . . . . . . . 764 Q HA . 53779 1 50 . 1 . 1 6 6 GLN HB2 H 1 2.126 0.010 . . . . . . . 764 Q HB2 . 53779 1 51 . 1 . 1 6 6 GLN HB3 H 1 2.473 0.010 . . . . . . . 764 Q HB3 . 53779 1 52 . 1 . 1 6 6 GLN HG2 H 1 2.461 0.010 . . . . . . . 764 Q HG2 . 53779 1 53 . 1 . 1 6 6 GLN HG3 H 1 2.466 0.010 . . . . . . . 764 Q HG3 . 53779 1 54 . 1 . 1 6 6 GLN HE21 H 1 6.873 0.010 . . . . . . . 764 Q HE21 . 53779 1 55 . 1 . 1 6 6 GLN HE22 H 1 7.650 0.010 . . . . . . . 764 Q HE22 . 53779 1 56 . 1 . 1 6 6 GLN C C 13 178.698 0.000 . . . . . . . 764 Q C . 53779 1 57 . 1 . 1 6 6 GLN CA C 13 59.160 0.000 . . . . . . . 764 Q CA . 53779 1 58 . 1 . 1 6 6 GLN CB C 13 28.466 0.000 . . . . . . . 764 Q CB . 53779 1 59 . 1 . 1 6 6 GLN CG C 13 33.977 0.000 . . . . . . . 764 Q CG . 53779 1 60 . 1 . 1 6 6 GLN N N 15 119.491 0.000 . . . . . . . 764 Q N . 53779 1 61 . 1 . 1 6 6 GLN NE2 N 15 112.294 0.000 . . . . . . . 764 Q NE2 . 53779 1 62 . 1 . 1 7 7 GLU H H 1 8.847 0.000 . . . . . . . 765 E H . 53779 1 63 . 1 . 1 7 7 GLU HA H 1 4.011 0.000 . . . . . . . 765 E HA . 53779 1 64 . 1 . 1 7 7 GLU HB2 H 1 1.103 0.010 . . . . . . . 765 E HB2 . 53779 1 65 . 1 . 1 7 7 GLU HB3 H 1 2.011 0.010 . . . . . . . 765 E HB3 . 53779 1 66 . 1 . 1 7 7 GLU HG2 H 1 2.084 0.000 . . . . . . . 765 E HG2 . 53779 1 67 . 1 . 1 7 7 GLU HG3 H 1 2.088 0.010 . . . . . . . 765 E HG3 . 53779 1 68 . 1 . 1 7 7 GLU C C 13 179.352 0.000 . . . . . . . 765 E C . 53779 1 69 . 1 . 1 7 7 GLU CA C 13 60.276 0.000 . . . . . . . 765 E CA . 53779 1 70 . 1 . 1 7 7 GLU CB C 13 29.070 0.000 . . . . . . . 765 E CB . 53779 1 71 . 1 . 1 7 7 GLU CG C 13 41.063 0.000 . . . . . . . 765 E CG . 53779 1 72 . 1 . 1 7 7 GLU N N 15 119.488 0.000 . . . . . . . 765 E N . 53779 1 73 . 1 . 1 8 8 GLN H H 1 7.888 0.000 . . . . . . . 766 Q H . 53779 1 74 . 1 . 1 8 8 GLN HA H 1 3.859 0.000 . . . . . . . 766 Q HA . 53779 1 75 . 1 . 1 8 8 GLN HB2 H 1 1.669 0.000 . . . . . . . 766 Q HB2 . 53779 1 76 . 1 . 1 8 8 GLN HB3 H 1 2.098 0.000 . . . . . . . 766 Q HB3 . 53779 1 77 . 1 . 1 8 8 GLN HG2 H 1 2.102 0.000 . . . . . . . 766 Q HG2 . 53779 1 78 . 1 . 1 8 8 GLN HG3 H 1 2.104 0.000 . . . . . . . 766 Q HG3 . 53779 1 79 . 1 . 1 8 8 GLN HE21 H 1 6.957 0.000 . . . . . . . 766 Q HE21 . 53779 1 80 . 1 . 1 8 8 GLN HE22 H 1 7.252 0.000 . . . . . . . 766 Q HE22 . 53779 1 81 . 1 . 1 8 8 GLN C C 13 178.063 0.000 . . . . . . . 766 Q C . 53779 1 82 . 1 . 1 8 8 GLN CA C 13 58.534 0.000 . . . . . . . 766 Q CA . 53779 1 83 . 1 . 1 8 8 GLN CB C 13 29.113 0.000 . . . . . . . 766 Q CB . 53779 1 84 . 1 . 1 8 8 GLN CG C 13 35.003 0.000 . . . . . . . 766 Q CG . 53779 1 85 . 1 . 1 8 8 GLN N N 15 120.711 0.000 . . . . . . . 766 Q N . 53779 1 86 . 1 . 1 8 8 GLN NE2 N 15 112.934 0.000 . . . . . . . 766 Q NE2 . 53779 1 87 . 1 . 1 9 9 MET H H 1 8.475 0.000 . . . . . . . 767 M H . 53779 1 88 . 1 . 1 9 9 MET HA H 1 4.259 0.000 . . . . . . . 767 M HA . 53779 1 89 . 1 . 1 9 9 MET HB2 H 1 2.243 0.000 . . . . . . . 767 M HB2 . 53779 1 90 . 1 . 1 9 9 MET HB3 H 1 2.245 0.000 . . . . . . . 767 M HB3 . 53779 1 91 . 1 . 1 9 9 MET HG2 H 1 2.697 0.000 . . . . . . . 767 M HG2 . 53779 1 92 . 1 . 1 9 9 MET HG3 H 1 2.699 0.000 . . . . . . . 767 M HG3 . 53779 1 93 . 1 . 1 9 9 MET HE1 H 1 2.157 0.000 . . . . . . . 767 M HE# . 53779 1 94 . 1 . 1 9 9 MET HE2 H 1 2.157 0.000 . . . . . . . 767 M HE# . 53779 1 95 . 1 . 1 9 9 MET HE3 H 1 2.157 0.000 . . . . . . . 767 M HE# . 53779 1 96 . 1 . 1 9 9 MET C C 13 178.581 0.000 . . . . . . . 767 M C . 53779 1 97 . 1 . 1 9 9 MET CA C 13 58.499 0.000 . . . . . . . 767 M CA . 53779 1 98 . 1 . 1 9 9 MET CB C 13 31.089 0.000 . . . . . . . 767 M CB . 53779 1 99 . 1 . 1 9 9 MET CG C 13 32.400 0.000 . . . . . . . 767 M CG . 53779 1 100 . 1 . 1 9 9 MET CE C 13 17.105 0.000 . . . . . . . 767 M CE . 53779 1 101 . 1 . 1 9 9 MET N N 15 118.838 0.000 . . . . . . . 767 M N . 53779 1 102 . 1 . 1 10 10 GLN H H 1 8.009 0.000 . . . . . . . 768 Q H . 53779 1 103 . 1 . 1 10 10 GLN HA H 1 4.138 0.000 . . . . . . . 768 Q HA . 53779 1 104 . 1 . 1 10 10 GLN HB2 H 1 2.206 0.000 . . . . . . . 768 Q HB2 . 53779 1 105 . 1 . 1 10 10 GLN HB3 H 1 2.253 0.000 . . . . . . . 768 Q HB3 . 53779 1 106 . 1 . 1 10 10 GLN HG2 H 1 2.534 0.000 . . . . . . . 768 Q HG2 . 53779 1 107 . 1 . 1 10 10 GLN HG3 H 1 2.546 0.000 . . . . . . . 768 Q HG3 . 53779 1 108 . 1 . 1 10 10 GLN HE21 H 1 7.078 0.010 . . . . . . . 768 Q HE21 . 53779 1 109 . 1 . 1 10 10 GLN HE22 H 1 7.245 0.000 . . . . . . . 768 Q HE22 . 53779 1 110 . 1 . 1 10 10 GLN C C 13 179.073 0.000 . . . . . . . 768 Q C . 53779 1 111 . 1 . 1 10 10 GLN CA C 13 58.878 0.000 . . . . . . . 768 Q CA . 53779 1 112 . 1 . 1 10 10 GLN CB C 13 28.189 0.000 . . . . . . . 768 Q CB . 53779 1 113 . 1 . 1 10 10 GLN CG C 13 33.939 0.000 . . . . . . . 768 Q CG . 53779 1 114 . 1 . 1 10 10 GLN N N 15 117.742 0.000 . . . . . . . 768 Q N . 53779 1 115 . 1 . 1 10 10 GLN NE2 N 15 112.290 0.000 . . . . . . . 768 Q NE2 . 53779 1 116 . 1 . 1 11 11 GLU H H 1 7.707 0.000 . . . . . . . 769 E H . 53779 1 117 . 1 . 1 11 11 GLU HA H 1 4.234 0.000 . . . . . . . 769 E HA . 53779 1 118 . 1 . 1 11 11 GLU HB2 H 1 2.081 0.000 . . . . . . . 769 E HB2 . 53779 1 119 . 1 . 1 11 11 GLU HB3 H 1 2.085 0.000 . . . . . . . 769 E HB3 . 53779 1 120 . 1 . 1 11 11 GLU HG2 H 1 2.304 0.000 . . . . . . . 769 E HG2 . 53779 1 121 . 1 . 1 11 11 GLU HG3 H 1 2.387 0.000 . . . . . . . 769 E HG3 . 53779 1 122 . 1 . 1 11 11 GLU C C 13 180.057 0.000 . . . . . . . 769 E C . 53779 1 123 . 1 . 1 11 11 GLU CA C 13 59.021 0.000 . . . . . . . 769 E CA . 53779 1 124 . 1 . 1 11 11 GLU CB C 13 29.327 0.000 . . . . . . . 769 E CB . 53779 1 125 . 1 . 1 11 11 GLU CG C 13 36.414 0.000 . . . . . . . 769 E CG . 53779 1 126 . 1 . 1 11 11 GLU N N 15 121.446 0.000 . . . . . . . 769 E N . 53779 1 127 . 1 . 1 12 12 PHE H H 1 8.740 0.000 . . . . . . . 770 F H . 53779 1 128 . 1 . 1 12 12 PHE HA H 1 4.967 0.000 . . . . . . . 770 F HA . 53779 1 129 . 1 . 1 12 12 PHE HB2 H 1 3.468 0.010 . . . . . . . 770 F HB2 . 53779 1 130 . 1 . 1 12 12 PHE HB3 H 1 3.505 0.000 . . . . . . . 770 F HB3 . 53779 1 131 . 1 . 1 12 12 PHE HD1 H 1 7.226 0.000 . . . . . . . 770 F HD1 . 53779 1 132 . 1 . 1 12 12 PHE HD2 H 1 7.233 0.000 . . . . . . . 770 F HD2 . 53779 1 133 . 1 . 1 12 12 PHE HE1 H 1 4.969 0.010 . . . . . . . 770 F HE1 . 53779 1 134 . 1 . 1 12 12 PHE HE2 H 1 7.272 0.010 . . . . . . . 770 F HE2 . 53779 1 135 . 1 . 1 12 12 PHE HZ H 1 7.252 0.010 . . . . . . . 770 F HZ . 53779 1 136 . 1 . 1 12 12 PHE C C 13 178.769 0.000 . . . . . . . 770 F C . 53779 1 137 . 1 . 1 12 12 PHE CA C 13 58.818 0.000 . . . . . . . 770 F CA . 53779 1 138 . 1 . 1 12 12 PHE CB C 13 37.805 0.000 . . . . . . . 770 F CB . 53779 1 139 . 1 . 1 12 12 PHE CD1 C 13 130.134 0.000 . . . . . . . 770 F CD1 . 53779 1 140 . 1 . 1 12 12 PHE CE1 C 13 133.252 0.010 . . . . . . . 770 F CE1 . 53779 1 141 . 1 . 1 12 12 PHE CZ C 13 132.028 0.010 . . . . . . . 770 F CZ . 53779 1 142 . 1 . 1 12 12 PHE N N 15 119.997 0.000 . . . . . . . 770 F N . 53779 1 143 . 1 . 1 13 13 ARG H H 1 8.884 0.000 . . . . . . . 771 R H . 53779 1 144 . 1 . 1 13 13 ARG HA H 1 4.135 0.000 . . . . . . . 771 R HA . 53779 1 145 . 1 . 1 13 13 ARG HB2 H 1 2.003 0.000 . . . . . . . 771 R HB2 . 53779 1 146 . 1 . 1 13 13 ARG HB3 H 1 2.010 0.000 . . . . . . . 771 R HB3 . 53779 1 147 . 1 . 1 13 13 ARG HG2 H 1 0.887 0.010 . . . . . . . 771 R HG2 . 53779 1 148 . 1 . 1 13 13 ARG HG3 H 1 1.591 0.000 . . . . . . . 771 R HG3 . 53779 1 149 . 1 . 1 13 13 ARG HD2 H 1 3.029 0.000 . . . . . . . 771 R HD2 . 53779 1 150 . 1 . 1 13 13 ARG HD3 H 1 3.032 0.000 . . . . . . . 771 R HD3 . 53779 1 151 . 1 . 1 13 13 ARG HE H 1 7.665 0.000 . . . . . . . 771 R HE . 53779 1 152 . 1 . 1 13 13 ARG C C 13 177.788 0.000 . . . . . . . 771 R C . 53779 1 153 . 1 . 1 13 13 ARG CA C 13 59.870 0.000 . . . . . . . 771 R CA . 53779 1 154 . 1 . 1 13 13 ARG CB C 13 30.396 0.000 . . . . . . . 771 R CB . 53779 1 155 . 1 . 1 13 13 ARG CG C 13 27.426 0.000 . . . . . . . 771 R CG . 53779 1 156 . 1 . 1 13 13 ARG CD C 13 43.267 0.000 . . . . . . . 771 R CD . 53779 1 157 . 1 . 1 13 13 ARG N N 15 120.346 0.000 . . . . . . . 771 R N . 53779 1 158 . 1 . 1 14 14 ALA H H 1 8.240 0.000 . . . . . . . 772 A H . 53779 1 159 . 1 . 1 14 14 ALA HA H 1 4.222 0.010 . . . . . . . 772 A HA . 53779 1 160 . 1 . 1 14 14 ALA HB1 H 1 1.617 0.000 . . . . . . . 772 A HB# . 53779 1 161 . 1 . 1 14 14 ALA HB2 H 1 1.617 0.000 . . . . . . . 772 A HB# . 53779 1 162 . 1 . 1 14 14 ALA HB3 H 1 1.617 0.000 . . . . . . . 772 A HB# . 53779 1 163 . 1 . 1 14 14 ALA C C 13 181.312 0.000 . . . . . . . 772 A C . 53779 1 164 . 1 . 1 14 14 ALA CA C 13 55.293 0.000 . . . . . . . 772 A CA . 53779 1 165 . 1 . 1 14 14 ALA CB C 13 18.045 0.000 . . . . . . . 772 A CB . 53779 1 166 . 1 . 1 14 14 ALA N N 15 121.240 0.000 . . . . . . . 772 A N . 53779 1 167 . 1 . 1 15 15 SER H H 1 8.324 0.000 . . . . . . . 773 S H . 53779 1 168 . 1 . 1 15 15 SER HA H 1 4.770 0.000 . . . . . . . 773 S HA . 53779 1 169 . 1 . 1 15 15 SER HB2 H 1 4.311 0.000 . . . . . . . 773 S HB2 . 53779 1 170 . 1 . 1 15 15 SER HB3 H 1 4.337 0.010 . . . . . . . 773 S HB3 . 53779 1 171 . 1 . 1 15 15 SER C C 13 176.362 0.000 . . . . . . . 773 S C . 53779 1 172 . 1 . 1 15 15 SER CA C 13 62.295 0.000 . . . . . . . 773 S CA . 53779 1 173 . 1 . 1 15 15 SER CB C 13 63.068 0.010 . . . . . . . 773 S CB . 53779 1 174 . 1 . 1 15 15 SER N N 15 115.111 0.000 . . . . . . . 773 S N . 53779 1 175 . 1 . 1 16 16 PHE H H 1 8.488 0.000 . . . . . . . 774 F H . 53779 1 176 . 1 . 1 16 16 PHE HA H 1 4.011 0.000 . . . . . . . 774 F HA . 53779 1 177 . 1 . 1 16 16 PHE HB2 H 1 3.036 0.000 . . . . . . . 774 F HB2 . 53779 1 178 . 1 . 1 16 16 PHE HB3 H 1 3.321 0.000 . . . . . . . 774 F HB3 . 53779 1 179 . 1 . 1 16 16 PHE HD1 H 1 6.800 0.000 . . . . . . . 774 F HD1 . 53779 1 180 . 1 . 1 16 16 PHE HD2 H 1 6.800 0.000 . . . . . . . 774 F HD2 . 53779 1 181 . 1 . 1 16 16 PHE HE1 H 1 7.120 0.010 . . . . . . . 774 F HE1 . 53779 1 182 . 1 . 1 16 16 PHE HE2 H 1 8.475 0.010 . . . . . . . 774 F HE2 . 53779 1 183 . 1 . 1 16 16 PHE HZ H 1 6.511 0.010 . . . . . . . 774 F HZ . 53779 1 184 . 1 . 1 16 16 PHE C C 13 177.574 0.000 . . . . . . . 774 F C . 53779 1 185 . 1 . 1 16 16 PHE CA C 13 62.288 0.000 . . . . . . . 774 F CA . 53779 1 186 . 1 . 1 16 16 PHE CB C 13 40.197 0.000 . . . . . . . 774 F CB . 53779 1 187 . 1 . 1 16 16 PHE CD1 C 13 132.652 0.000 . . . . . . . 774 F CD1 . 53779 1 188 . 1 . 1 16 16 PHE CE1 C 13 133.862 0.000 . . . . . . . 774 F CE1 . 53779 1 189 . 1 . 1 16 16 PHE CZ C 13 131.915 0.000 . . . . . . . 774 F CZ . 53779 1 190 . 1 . 1 16 16 PHE N N 15 121.645 0.000 . . . . . . . 774 F N . 53779 1 191 . 1 . 1 17 17 ASN H H 1 8.720 0.000 . . . . . . . 775 N H . 53779 1 192 . 1 . 1 17 17 ASN HA H 1 4.530 0.000 . . . . . . . 775 N HA . 53779 1 193 . 1 . 1 17 17 ASN HB2 H 1 2.993 0.010 . . . . . . . 775 N HB2 . 53779 1 194 . 1 . 1 17 17 ASN HB3 H 1 3.011 0.000 . . . . . . . 775 N HB3 . 53779 1 195 . 1 . 1 17 17 ASN HD21 H 1 6.805 0.000 . . . . . . . 775 N HD21 . 53779 1 196 . 1 . 1 17 17 ASN HD22 H 1 7.624 0.000 . . . . . . . 775 N HD22 . 53779 1 197 . 1 . 1 17 17 ASN C C 13 177.878 0.000 . . . . . . . 775 N C . 53779 1 198 . 1 . 1 17 17 ASN CA C 13 55.512 0.000 . . . . . . . 775 N CA . 53779 1 199 . 1 . 1 17 17 ASN CB C 13 38.125 0.000 . . . . . . . 775 N CB . 53779 1 200 . 1 . 1 17 17 ASN N N 15 114.356 0.000 . . . . . . . 775 N N . 53779 1 201 . 1 . 1 17 17 ASN ND2 N 15 110.691 0.000 . . . . . . . 775 N ND2 . 53779 1 202 . 1 . 1 18 18 HIS H H 1 7.985 0.000 . . . . . . . 776 H H . 53779 1 203 . 1 . 1 18 18 HIS HA H 1 4.142 0.000 . . . . . . . 776 H HA . 53779 1 204 . 1 . 1 18 18 HIS HB2 H 1 3.116 0.000 . . . . . . . 776 H HB2 . 53779 1 205 . 1 . 1 18 18 HIS HB3 H 1 3.119 0.000 . . . . . . . 776 H HB3 . 53779 1 206 . 1 . 1 18 18 HIS HD1 H 1 7.986 0.000 . . . . . . . 776 H HD1 . 53779 1 207 . 1 . 1 18 18 HIS HD2 H 1 6.907 0.000 . . . . . . . 776 H HD2 . 53779 1 208 . 1 . 1 18 18 HIS HE1 H 1 8.337 0.010 . . . . . . . 776 H HE1 . 53779 1 209 . 1 . 1 18 18 HIS C C 13 176.401 0.000 . . . . . . . 776 H C . 53779 1 210 . 1 . 1 18 18 HIS CA C 13 59.328 0.000 . . . . . . . 776 H CA . 53779 1 211 . 1 . 1 18 18 HIS CB C 13 29.992 0.000 . . . . . . . 776 H CB . 53779 1 212 . 1 . 1 18 18 HIS CD2 C 13 132.176 0.000 . . . . . . . 776 H CD2 . 53779 1 213 . 1 . 1 18 18 HIS CE1 C 13 138.285 0.010 . . . . . . . 776 H CE1 . 53779 1 214 . 1 . 1 18 18 HIS N N 15 119.287 0.000 . . . . . . . 776 H N . 53779 1 215 . 1 . 1 18 18 HIS ND1 N 15 119.352 0.000 . . . . . . . 776 H ND1 . 53779 1 216 . 1 . 1 19 19 PHE H H 1 7.371 0.000 . . . . . . . 777 F H . 53779 1 217 . 1 . 1 19 19 PHE HA H 1 4.147 0.000 . . . . . . . 777 F HA . 53779 1 218 . 1 . 1 19 19 PHE HB2 H 1 2.547 0.000 . . . . . . . 777 F HB2 . 53779 1 219 . 1 . 1 19 19 PHE HB3 H 1 3.207 0.000 . . . . . . . 777 F HB3 . 53779 1 220 . 1 . 1 19 19 PHE HD1 H 1 6.793 0.010 . . . . . . . 777 F HD1 . 53779 1 221 . 1 . 1 19 19 PHE HD2 H 1 7.663 0.010 . . . . . . . 777 F HD2 . 53779 1 222 . 1 . 1 19 19 PHE HE1 H 1 7.658 0.010 . . . . . . . 777 F HE1 . 53779 1 223 . 1 . 1 19 19 PHE HE2 H 1 7.660 0.000 . . . . . . . 777 F HE2 . 53779 1 224 . 1 . 1 19 19 PHE HZ H 1 7.481 0.010 . . . . . . . 777 F HZ . 53779 1 225 . 1 . 1 19 19 PHE C C 13 176.905 0.000 . . . . . . . 777 F C . 53779 1 226 . 1 . 1 19 19 PHE CA C 13 59.800 0.000 . . . . . . . 777 F CA . 53779 1 227 . 1 . 1 19 19 PHE CB C 13 39.907 0.000 . . . . . . . 777 F CB . 53779 1 228 . 1 . 1 19 19 PHE CD1 C 13 132.300 0.000 . . . . . . . 777 F CD1 . 53779 1 229 . 1 . 1 19 19 PHE CE1 C 13 132.382 0.000 . . . . . . . 777 F CE1 . 53779 1 230 . 1 . 1 19 19 PHE CZ C 13 132.584 0.000 . . . . . . . 777 F CZ . 53779 1 231 . 1 . 1 19 19 PHE N N 15 113.507 0.000 . . . . . . . 777 F N . 53779 1 232 . 1 . 1 20 20 ASP H H 1 7.456 0.000 . . . . . . . 778 D H . 53779 1 233 . 1 . 1 20 20 ASP HA H 1 4.536 0.000 . . . . . . . 778 D HA . 53779 1 234 . 1 . 1 20 20 ASP HB2 H 1 2.197 0.000 . . . . . . . 778 D HB2 . 53779 1 235 . 1 . 1 20 20 ASP HB3 H 1 2.883 0.010 . . . . . . . 778 D HB3 . 53779 1 236 . 1 . 1 20 20 ASP C C 13 177.035 0.000 . . . . . . . 778 D C . 53779 1 237 . 1 . 1 20 20 ASP CA C 13 52.610 0.000 . . . . . . . 778 D CA . 53779 1 238 . 1 . 1 20 20 ASP CB C 13 39.237 0.000 . . . . . . . 778 D CB . 53779 1 239 . 1 . 1 20 20 ASP N N 15 121.273 0.000 . . . . . . . 778 D N . 53779 1 240 . 1 . 1 21 21 LYS H H 1 7.868 0.000 . . . . . . . 779 K H . 53779 1 241 . 1 . 1 21 21 LYS HA H 1 3.879 0.000 . . . . . . . 779 K HA . 53779 1 242 . 1 . 1 21 21 LYS HB2 H 1 1.765 0.000 . . . . . . . 779 K HB2 . 53779 1 243 . 1 . 1 21 21 LYS HB3 H 1 1.812 0.000 . . . . . . . 779 K HB3 . 53779 1 244 . 1 . 1 21 21 LYS HG2 H 1 1.415 0.000 . . . . . . . 779 K HG2 . 53779 1 245 . 1 . 1 21 21 LYS HG3 H 1 1.421 0.000 . . . . . . . 779 K HG3 . 53779 1 246 . 1 . 1 21 21 LYS HD2 H 1 1.665 0.000 . . . . . . . 779 K HD2 . 53779 1 247 . 1 . 1 21 21 LYS HD3 H 1 1.665 0.010 . . . . . . . 779 K HD3 . 53779 1 248 . 1 . 1 21 21 LYS HE2 H 1 2.987 0.010 . . . . . . . 779 K HE2 . 53779 1 249 . 1 . 1 21 21 LYS HE3 H 1 2.988 0.000 . . . . . . . 779 K HE3 . 53779 1 250 . 1 . 1 21 21 LYS C C 13 177.277 0.000 . . . . . . . 779 K C . 53779 1 251 . 1 . 1 21 21 LYS CA C 13 58.710 0.000 . . . . . . . 779 K CA . 53779 1 252 . 1 . 1 21 21 LYS CB C 13 32.356 0.000 . . . . . . . 779 K CB . 53779 1 253 . 1 . 1 21 21 LYS CG C 13 24.582 0.000 . . . . . . . 779 K CG . 53779 1 254 . 1 . 1 21 21 LYS CD C 13 29.049 0.000 . . . . . . . 779 K CD . 53779 1 255 . 1 . 1 21 21 LYS CE C 13 42.230 0.000 . . . . . . . 779 K CE . 53779 1 256 . 1 . 1 21 21 LYS N N 15 124.633 0.000 . . . . . . . 779 K N . 53779 1 257 . 1 . 1 22 22 ASP H H 1 8.526 0.000 . . . . . . . 780 D H . 53779 1 258 . 1 . 1 22 22 ASP HA H 1 4.617 0.000 . . . . . . . 780 D HA . 53779 1 259 . 1 . 1 22 22 ASP HB2 H 1 2.683 0.000 . . . . . . . 780 D HB2 . 53779 1 260 . 1 . 1 22 22 ASP HB3 H 1 2.996 0.000 . . . . . . . 780 D HB3 . 53779 1 261 . 1 . 1 22 22 ASP C C 13 176.129 0.000 . . . . . . . 780 D C . 53779 1 262 . 1 . 1 22 22 ASP CA C 13 53.962 0.000 . . . . . . . 780 D CA . 53779 1 263 . 1 . 1 22 22 ASP CB C 13 39.675 0.000 . . . . . . . 780 D CB . 53779 1 264 . 1 . 1 22 22 ASP N N 15 116.514 0.000 . . . . . . . 780 D N . 53779 1 265 . 1 . 1 23 23 HIS H H 1 7.915 0.000 . . . . . . . 781 H H . 53779 1 266 . 1 . 1 23 23 HIS HA H 1 4.236 0.000 . . . . . . . 781 H HA . 53779 1 267 . 1 . 1 23 23 HIS HB2 H 1 3.328 0.000 . . . . . . . 781 H HB2 . 53779 1 268 . 1 . 1 23 23 HIS HB3 H 1 3.342 0.000 . . . . . . . 781 H HB3 . 53779 1 269 . 1 . 1 23 23 HIS HD1 H 1 7.190 0.010 . . . . . . . 781 H HD1 . 53779 1 270 . 1 . 1 23 23 HIS HD2 H 1 7.170 0.000 . . . . . . . 781 H HD2 . 53779 1 271 . 1 . 1 23 23 HIS HE1 H 1 7.939 0.000 . . . . . . . 781 H HE1 . 53779 1 272 . 1 . 1 23 23 HIS C C 13 175.534 0.000 . . . . . . . 781 H C . 53779 1 273 . 1 . 1 23 23 HIS CA C 13 56.636 0.000 . . . . . . . 781 H CA . 53779 1 274 . 1 . 1 23 23 HIS CB C 13 26.856 0.000 . . . . . . . 781 H CB . 53779 1 275 . 1 . 1 23 23 HIS CD2 C 13 129.001 0.000 . . . . . . . 781 H CD2 . 53779 1 276 . 1 . 1 23 23 HIS N N 15 116.859 0.000 . . . . . . . 781 H N . 53779 1 277 . 1 . 1 23 23 HIS ND1 N 15 118.024 0.010 . . . . . . . 781 H ND1 . 53779 1 278 . 1 . 1 24 24 GLY H H 1 9.141 0.000 . . . . . . . 782 G H . 53779 1 279 . 1 . 1 24 24 GLY HA2 H 1 3.918 0.000 . . . . . . . 782 G HA2 . 53779 1 280 . 1 . 1 24 24 GLY HA3 H 1 3.923 0.010 . . . . . . . 782 G HA3 . 53779 1 281 . 1 . 1 24 24 GLY C C 13 176.479 0.000 . . . . . . . 782 G C . 53779 1 282 . 1 . 1 24 24 GLY CA C 13 46.071 0.000 . . . . . . . 782 G CA . 53779 1 283 . 1 . 1 24 24 GLY N N 15 108.782 0.000 . . . . . . . 782 G N . 53779 1 284 . 1 . 1 25 25 GLY H H 1 10.798 0.000 . . . . . . . 783 G H . 53779 1 285 . 1 . 1 25 25 GLY HA2 H 1 3.807 0.000 . . . . . . . 783 G HA2 . 53779 1 286 . 1 . 1 25 25 GLY HA3 H 1 4.277 0.000 . . . . . . . 783 G HA3 . 53779 1 287 . 1 . 1 25 25 GLY C C 13 174.916 0.000 . . . . . . . 783 G C . 53779 1 288 . 1 . 1 25 25 GLY CA C 13 45.728 0.000 . . . . . . . 783 G CA . 53779 1 289 . 1 . 1 25 25 GLY N N 15 113.469 0.000 . . . . . . . 783 G N . 53779 1 290 . 1 . 1 26 26 ALA H H 1 7.701 0.000 . . . . . . . 784 A H . 53779 1 291 . 1 . 1 26 26 ALA HA H 1 5.149 0.000 . . . . . . . 784 A HA . 53779 1 292 . 1 . 1 26 26 ALA HB1 H 1 1.232 0.000 . . . . . . . 784 A HB# . 53779 1 293 . 1 . 1 26 26 ALA HB2 H 1 1.232 0.000 . . . . . . . 784 A HB# . 53779 1 294 . 1 . 1 26 26 ALA HB3 H 1 1.232 0.000 . . . . . . . 784 A HB# . 53779 1 295 . 1 . 1 26 26 ALA C C 13 175.335 0.000 . . . . . . . 784 A C . 53779 1 296 . 1 . 1 26 26 ALA CA C 13 51.468 0.000 . . . . . . . 784 A CA . 53779 1 297 . 1 . 1 26 26 ALA CB C 13 22.410 0.000 . . . . . . . 784 A CB . 53779 1 298 . 1 . 1 26 26 ALA N N 15 120.836 0.000 . . . . . . . 784 A N . 53779 1 299 . 1 . 1 27 27 LEU H H 1 8.693 0.000 . . . . . . . 785 L H . 53779 1 300 . 1 . 1 27 27 LEU HA H 1 4.741 0.000 . . . . . . . 785 L HA . 53779 1 301 . 1 . 1 27 27 LEU HB2 H 1 1.514 0.000 . . . . . . . 785 L HB2 . 53779 1 302 . 1 . 1 27 27 LEU HB3 H 1 1.518 0.000 . . . . . . . 785 L HB3 . 53779 1 303 . 1 . 1 27 27 LEU HG H 1 1.037 0.000 . . . . . . . 785 L HG . 53779 1 304 . 1 . 1 27 27 LEU HD11 H 1 0.340 0.000 . . . . . . . 785 L QD1 . 53779 1 305 . 1 . 1 27 27 LEU HD12 H 1 0.340 0.000 . . . . . . . 785 L QD1 . 53779 1 306 . 1 . 1 27 27 LEU HD13 H 1 0.340 0.000 . . . . . . . 785 L QD1 . 53779 1 307 . 1 . 1 27 27 LEU HD21 H 1 0.365 0.000 . . . . . . . 785 L QD2 . 53779 1 308 . 1 . 1 27 27 LEU HD22 H 1 0.365 0.000 . . . . . . . 785 L QD2 . 53779 1 309 . 1 . 1 27 27 LEU HD23 H 1 0.365 0.000 . . . . . . . 785 L QD2 . 53779 1 310 . 1 . 1 27 27 LEU C C 13 177.465 0.000 . . . . . . . 785 L C . 53779 1 311 . 1 . 1 27 27 LEU CA C 13 53.189 0.000 . . . . . . . 785 L CA . 53779 1 312 . 1 . 1 27 27 LEU CB C 13 44.591 0.000 . . . . . . . 785 L CB . 53779 1 313 . 1 . 1 27 27 LEU CG C 13 25.893 0.000 . . . . . . . 785 L CG . 53779 1 314 . 1 . 1 27 27 LEU CD1 C 13 21.555 0.000 . . . . . . . 785 L CD1 . 53779 1 315 . 1 . 1 27 27 LEU CD2 C 13 25.845 0.000 . . . . . . . 785 L CD2 . 53779 1 316 . 1 . 1 27 27 LEU N N 15 119.990 0.000 . . . . . . . 785 L N . 53779 1 317 . 1 . 1 28 28 GLY H H 1 8.500 0.000 . . . . . . . 786 G H . 53779 1 318 . 1 . 1 28 28 GLY HA2 H 1 3.983 0.000 . . . . . . . 786 G HA2 . 53779 1 319 . 1 . 1 28 28 GLY HA3 H 1 4.813 0.000 . . . . . . . 786 G HA3 . 53779 1 320 . 1 . 1 28 28 GLY C C 13 172.484 0.000 . . . . . . . 786 G C . 53779 1 321 . 1 . 1 28 28 GLY CA C 13 44.266 0.000 . . . . . . . 786 G CA . 53779 1 322 . 1 . 1 28 28 GLY N N 15 108.982 0.000 . . . . . . . 786 G N . 53779 1 323 . 1 . 1 29 29 PRO HA H 1 4.315 0.000 . . . . . . . 787 P HA . 53779 1 324 . 1 . 1 29 29 PRO HB2 H 1 2.211 0.000 . . . . . . . 787 P HB2 . 53779 1 325 . 1 . 1 29 29 PRO HB3 H 1 2.571 0.000 . . . . . . . 787 P HB3 . 53779 1 326 . 1 . 1 29 29 PRO HG2 H 1 1.946 0.000 . . . . . . . 787 P HG2 . 53779 1 327 . 1 . 1 29 29 PRO HG3 H 1 2.305 0.000 . . . . . . . 787 P HG3 . 53779 1 328 . 1 . 1 29 29 PRO HD2 H 1 3.802 0.000 . . . . . . . 787 P HD2 . 53779 1 329 . 1 . 1 29 29 PRO HD3 H 1 4.079 0.000 . . . . . . . 787 P HD3 . 53779 1 330 . 1 . 1 29 29 PRO C C 13 179.106 0.000 . . . . . . . 787 P C . 53779 1 331 . 1 . 1 29 29 PRO CA C 13 66.693 0.000 . . . . . . . 787 P CA . 53779 1 332 . 1 . 1 29 29 PRO CB C 13 32.272 0.000 . . . . . . . 787 P CB . 53779 1 333 . 1 . 1 29 29 PRO CG C 13 28.340 0.000 . . . . . . . 787 P CG . 53779 1 334 . 1 . 1 29 29 PRO CD C 13 49.206 0.000 . . . . . . . 787 P CD . 53779 1 335 . 1 . 1 30 30 GLU H H 1 8.709 0.000 . . . . . . . 788 E H . 53779 1 336 . 1 . 1 30 30 GLU HA H 1 3.953 0.000 . . . . . . . 788 E HA . 53779 1 337 . 1 . 1 30 30 GLU HB2 H 1 1.998 0.010 . . . . . . . 788 E HB2 . 53779 1 338 . 1 . 1 30 30 GLU HB3 H 1 2.024 0.000 . . . . . . . 788 E HB3 . 53779 1 339 . 1 . 1 30 30 GLU HG2 H 1 2.326 0.000 . . . . . . . 788 E HG2 . 53779 1 340 . 1 . 1 30 30 GLU HG3 H 1 2.329 0.000 . . . . . . . 788 E HG3 . 53779 1 341 . 1 . 1 30 30 GLU C C 13 180.057 0.000 . . . . . . . 788 E C . 53779 1 342 . 1 . 1 30 30 GLU CA C 13 59.862 0.000 . . . . . . . 788 E CA . 53779 1 343 . 1 . 1 30 30 GLU CB C 13 29.145 0.000 . . . . . . . 788 E CB . 53779 1 344 . 1 . 1 30 30 GLU CG C 13 36.805 0.000 . . . . . . . 788 E CG . 53779 1 345 . 1 . 1 30 30 GLU N N 15 115.666 0.000 . . . . . . . 788 E N . 53779 1 346 . 1 . 1 31 31 GLU H H 1 7.993 0.000 . . . . . . . 789 E H . 53779 1 347 . 1 . 1 31 31 GLU HA H 1 4.150 0.000 . . . . . . . 789 E HA . 53779 1 348 . 1 . 1 31 31 GLU HB2 H 1 2.342 0.010 . . . . . . . 789 E HB2 . 53779 1 349 . 1 . 1 31 31 GLU HB3 H 1 2.361 0.000 . . . . . . . 789 E HB3 . 53779 1 350 . 1 . 1 31 31 GLU HG2 H 1 2.391 0.000 . . . . . . . 789 E HG2 . 53779 1 351 . 1 . 1 31 31 GLU HG3 H 1 2.755 0.000 . . . . . . . 789 E HG3 . 53779 1 352 . 1 . 1 31 31 GLU C C 13 178.083 0.000 . . . . . . . 789 E C . 53779 1 353 . 1 . 1 31 31 GLU CA C 13 59.909 0.000 . . . . . . . 789 E CA . 53779 1 354 . 1 . 1 31 31 GLU CB C 13 30.208 0.000 . . . . . . . 789 E CB . 53779 1 355 . 1 . 1 31 31 GLU CG C 13 37.717 0.000 . . . . . . . 789 E CG . 53779 1 356 . 1 . 1 31 31 GLU N N 15 121.518 0.000 . . . . . . . 789 E N . 53779 1 357 . 1 . 1 32 32 PHE H H 1 9.010 0.000 . . . . . . . 790 F H . 53779 1 358 . 1 . 1 32 32 PHE HA H 1 4.237 0.000 . . . . . . . 790 F HA . 53779 1 359 . 1 . 1 32 32 PHE HB2 H 1 3.028 0.000 . . . . . . . 790 F HB2 . 53779 1 360 . 1 . 1 32 32 PHE HB3 H 1 3.037 0.000 . . . . . . . 790 F HB3 . 53779 1 361 . 1 . 1 32 32 PHE HD1 H 1 7.183 0.010 . . . . . . . 790 F HD1 . 53779 1 362 . 1 . 1 32 32 PHE HD2 H 1 7.215 0.000 . . . . . . . 790 F HD2 . 53779 1 363 . 1 . 1 32 32 PHE HE1 H 1 6.617 0.010 . . . . . . . 790 F HE1 . 53779 1 364 . 1 . 1 32 32 PHE HE2 H 1 7.603 0.000 . . . . . . . 790 F HE2 . 53779 1 365 . 1 . 1 32 32 PHE HZ H 1 6.905 0.010 . . . . . . . 790 F HZ . 53779 1 366 . 1 . 1 32 32 PHE C C 13 176.899 0.000 . . . . . . . 790 F C . 53779 1 367 . 1 . 1 32 32 PHE CA C 13 59.361 0.000 . . . . . . . 790 F CA . 53779 1 368 . 1 . 1 32 32 PHE CB C 13 38.710 0.000 . . . . . . . 790 F CB . 53779 1 369 . 1 . 1 32 32 PHE CD1 C 13 131.437 0.000 . . . . . . . 790 F CD1 . 53779 1 370 . 1 . 1 32 32 PHE CE1 C 13 133.369 0.010 . . . . . . . 790 F CE1 . 53779 1 371 . 1 . 1 32 32 PHE CZ C 13 131.530 0.000 . . . . . . . 790 F CZ . 53779 1 372 . 1 . 1 32 32 PHE N N 15 119.280 0.000 . . . . . . . 790 F N . 53779 1 373 . 1 . 1 33 33 LYS H H 1 8.498 0.000 . . . . . . . 791 K H . 53779 1 374 . 1 . 1 33 33 LYS HA H 1 3.286 0.000 . . . . . . . 791 K HA . 53779 1 375 . 1 . 1 33 33 LYS HB2 H 1 1.380 0.000 . . . . . . . 791 K HB2 . 53779 1 376 . 1 . 1 33 33 LYS HB3 H 1 1.563 0.000 . . . . . . . 791 K HB3 . 53779 1 377 . 1 . 1 33 33 LYS HG2 H 1 0.561 0.000 . . . . . . . 791 K HG2 . 53779 1 378 . 1 . 1 33 33 LYS HG3 H 1 1.033 0.000 . . . . . . . 791 K HG3 . 53779 1 379 . 1 . 1 33 33 LYS HD2 H 1 1.105 0.010 . . . . . . . 791 K HD2 . 53779 1 380 . 1 . 1 33 33 LYS HD3 H 1 1.232 0.010 . . . . . . . 791 K HD3 . 53779 1 381 . 1 . 1 33 33 LYS HE2 H 1 2.085 0.000 . . . . . . . 791 K HE2 . 53779 1 382 . 1 . 1 33 33 LYS HE3 H 1 2.087 0.000 . . . . . . . 791 K HE3 . 53779 1 383 . 1 . 1 33 33 LYS C C 13 177.141 0.000 . . . . . . . 791 K C . 53779 1 384 . 1 . 1 33 33 LYS CA C 13 60.813 0.000 . . . . . . . 791 K CA . 53779 1 385 . 1 . 1 33 33 LYS CB C 13 31.690 0.000 . . . . . . . 791 K CB . 53779 1 386 . 1 . 1 33 33 LYS CG C 13 24.996 0.000 . . . . . . . 791 K CG . 53779 1 387 . 1 . 1 33 33 LYS CD C 13 29.028 0.000 . . . . . . . 791 K CD . 53779 1 388 . 1 . 1 33 33 LYS CE C 13 41.083 0.000 . . . . . . . 791 K CE . 53779 1 389 . 1 . 1 33 33 LYS N N 15 120.251 0.000 . . . . . . . 791 K N . 53779 1 390 . 1 . 1 34 34 ALA H H 1 7.235 0.000 . . . . . . . 792 A H . 53779 1 391 . 1 . 1 34 34 ALA HA H 1 3.823 0.000 . . . . . . . 792 A HA . 53779 1 392 . 1 . 1 34 34 ALA HB1 H 1 1.361 0.000 . . . . . . . 792 A HB# . 53779 1 393 . 1 . 1 34 34 ALA HB2 H 1 1.361 0.000 . . . . . . . 792 A HB# . 53779 1 394 . 1 . 1 34 34 ALA HB3 H 1 1.361 0.000 . . . . . . . 792 A HB# . 53779 1 395 . 1 . 1 34 34 ALA C C 13 179.637 0.000 . . . . . . . 792 A C . 53779 1 396 . 1 . 1 34 34 ALA CA C 13 55.235 0.000 . . . . . . . 792 A CA . 53779 1 397 . 1 . 1 34 34 ALA CB C 13 18.035 0.000 . . . . . . . 792 A CB . 53779 1 398 . 1 . 1 34 34 ALA N N 15 119.234 0.000 . . . . . . . 792 A N . 53779 1 399 . 1 . 1 35 35 CYS H H 1 7.657 0.000 . . . . . . . 793 C H . 53779 1 400 . 1 . 1 35 35 CYS HA H 1 3.196 0.000 . . . . . . . 793 C HA . 53779 1 401 . 1 . 1 35 35 CYS HB2 H 1 2.235 0.000 . . . . . . . 793 C HB2 . 53779 1 402 . 1 . 1 35 35 CYS HB3 H 1 2.851 0.000 . . . . . . . 793 C HB3 . 53779 1 403 . 1 . 1 35 35 CYS HG H 1 1.411 0.000 . . . . . . . 793 C HG . 53779 1 404 . 1 . 1 35 35 CYS C C 13 177.455 0.000 . . . . . . . 793 C C . 53779 1 405 . 1 . 1 35 35 CYS CA C 13 61.822 0.000 . . . . . . . 793 C CA . 53779 1 406 . 1 . 1 35 35 CYS CB C 13 26.071 0.000 . . . . . . . 793 C CB . 53779 1 407 . 1 . 1 35 35 CYS N N 15 121.526 0.000 . . . . . . . 793 C N . 53779 1 408 . 1 . 1 36 36 LEU H H 1 8.401 0.000 . . . . . . . 794 L H . 53779 1 409 . 1 . 1 36 36 LEU HA H 1 3.862 0.000 . . . . . . . 794 L HA . 53779 1 410 . 1 . 1 36 36 LEU HB2 H 1 1.042 0.000 . . . . . . . 794 L HB2 . 53779 1 411 . 1 . 1 36 36 LEU HB3 H 1 1.807 0.000 . . . . . . . 794 L HB3 . 53779 1 412 . 1 . 1 36 36 LEU HG H 1 1.798 0.010 . . . . . . . 794 L HG . 53779 1 413 . 1 . 1 36 36 LEU HD11 H 1 0.198 0.000 . . . . . . . 794 L QD1 . 53779 1 414 . 1 . 1 36 36 LEU HD12 H 1 0.198 0.000 . . . . . . . 794 L QD1 . 53779 1 415 . 1 . 1 36 36 LEU HD13 H 1 0.198 0.000 . . . . . . . 794 L QD1 . 53779 1 416 . 1 . 1 36 36 LEU HD21 H 1 0.228 0.000 . . . . . . . 794 L QD2 . 53779 1 417 . 1 . 1 36 36 LEU HD22 H 1 0.228 0.000 . . . . . . . 794 L QD2 . 53779 1 418 . 1 . 1 36 36 LEU HD23 H 1 0.228 0.000 . . . . . . . 794 L QD2 . 53779 1 419 . 1 . 1 36 36 LEU C C 13 180.015 0.000 . . . . . . . 794 L C . 53779 1 420 . 1 . 1 36 36 LEU CA C 13 58.310 0.000 . . . . . . . 794 L CA . 53779 1 421 . 1 . 1 36 36 LEU CB C 13 41.147 0.000 . . . . . . . 794 L CB . 53779 1 422 . 1 . 1 36 36 LEU CG C 13 26.437 0.000 . . . . . . . 794 L CG . 53779 1 423 . 1 . 1 36 36 LEU CD1 C 13 21.385 0.000 . . . . . . . 794 L CD1 . 53779 1 424 . 1 . 1 36 36 LEU CD2 C 13 26.441 0.000 . . . . . . . 794 L CD2 . 53779 1 425 . 1 . 1 36 36 LEU N N 15 120.141 0.000 . . . . . . . 794 L N . 53779 1 426 . 1 . 1 37 37 ILE H H 1 8.438 0.000 . . . . . . . 795 I H . 53779 1 427 . 1 . 1 37 37 ILE HA H 1 4.002 0.000 . . . . . . . 795 I HA . 53779 1 428 . 1 . 1 37 37 ILE HB H 1 1.820 0.000 . . . . . . . 795 I HB . 53779 1 429 . 1 . 1 37 37 ILE HG12 H 1 1.035 0.000 . . . . . . . 795 I HG12 . 53779 1 430 . 1 . 1 37 37 ILE HG13 H 1 1.692 0.000 . . . . . . . 795 I HG13 . 53779 1 431 . 1 . 1 37 37 ILE HG21 H 1 0.936 0.000 . . . . . . . 795 I QG2 . 53779 1 432 . 1 . 1 37 37 ILE HG22 H 1 0.936 0.000 . . . . . . . 795 I QG2 . 53779 1 433 . 1 . 1 37 37 ILE HG23 H 1 0.936 0.000 . . . . . . . 795 I QG2 . 53779 1 434 . 1 . 1 37 37 ILE HD11 H 1 0.726 0.000 . . . . . . . 795 I QD1 . 53779 1 435 . 1 . 1 37 37 ILE HD12 H 1 0.726 0.000 . . . . . . . 795 I QD1 . 53779 1 436 . 1 . 1 37 37 ILE HD13 H 1 0.726 0.000 . . . . . . . 795 I QD1 . 53779 1 437 . 1 . 1 37 37 ILE C C 13 181.163 0.000 . . . . . . . 795 I C . 53779 1 438 . 1 . 1 37 37 ILE CA C 13 65.554 0.000 . . . . . . . 795 I CA . 53779 1 439 . 1 . 1 37 37 ILE CB C 13 38.162 0.000 . . . . . . . 795 I CB . 53779 1 440 . 1 . 1 37 37 ILE CG1 C 13 29.912 0.000 . . . . . . . 795 I CG1 . 53779 1 441 . 1 . 1 37 37 ILE CG2 C 13 17.030 0.000 . . . . . . . 795 I CG2 . 53779 1 442 . 1 . 1 37 37 ILE CD1 C 13 14.179 0.000 . . . . . . . 795 I CD1 . 53779 1 443 . 1 . 1 37 37 ILE N N 15 121.499 0.000 . . . . . . . 795 I N . 53779 1 444 . 1 . 1 38 38 SER H H 1 8.025 0.000 . . . . . . . 796 S H . 53779 1 445 . 1 . 1 38 38 SER HA H 1 4.311 0.000 . . . . . . . 796 S HA . 53779 1 446 . 1 . 1 38 38 SER HB2 H 1 4.248 0.010 . . . . . . . 796 S HB2 . 53779 1 447 . 1 . 1 38 38 SER HB3 H 1 4.769 0.010 . . . . . . . 796 S HB3 . 53779 1 448 . 1 . 1 38 38 SER C C 13 175.347 0.000 . . . . . . . 796 S C . 53779 1 449 . 1 . 1 38 38 SER CA C 13 61.890 0.000 . . . . . . . 796 S CA . 53779 1 450 . 1 . 1 38 38 SER CB C 13 63.100 0.000 . . . . . . . 796 S CB . 53779 1 451 . 1 . 1 38 38 SER N N 15 119.182 0.000 . . . . . . . 796 S N . 53779 1 452 . 1 . 1 39 39 LEU H H 1 7.645 0.000 . . . . . . . 797 L H . 53779 1 453 . 1 . 1 39 39 LEU HA H 1 4.640 0.000 . . . . . . . 797 L HA . 53779 1 454 . 1 . 1 39 39 LEU HB2 H 1 2.123 0.000 . . . . . . . 797 L HB2 . 53779 1 455 . 1 . 1 39 39 LEU HB3 H 1 2.137 0.000 . . . . . . . 797 L HB3 . 53779 1 456 . 1 . 1 39 39 LEU HG H 1 1.241 0.010 . . . . . . . 797 L HG . 53779 1 457 . 1 . 1 39 39 LEU HD11 H 1 1.219 0.000 . . . . . . . 797 L QD1 . 53779 1 458 . 1 . 1 39 39 LEU HD12 H 1 1.219 0.000 . . . . . . . 797 L QD1 . 53779 1 459 . 1 . 1 39 39 LEU HD13 H 1 1.219 0.000 . . . . . . . 797 L QD1 . 53779 1 460 . 1 . 1 39 39 LEU HD21 H 1 2.124 0.010 . . . . . . . 797 L QD2 . 53779 1 461 . 1 . 1 39 39 LEU HD22 H 1 2.124 0.010 . . . . . . . 797 L QD2 . 53779 1 462 . 1 . 1 39 39 LEU HD23 H 1 2.124 0.010 . . . . . . . 797 L QD2 . 53779 1 463 . 1 . 1 39 39 LEU C C 13 177.248 0.000 . . . . . . . 797 L C . 53779 1 464 . 1 . 1 39 39 LEU CA C 13 55.009 0.000 . . . . . . . 797 L CA . 53779 1 465 . 1 . 1 39 39 LEU CB C 13 42.925 0.000 . . . . . . . 797 L CB . 53779 1 466 . 1 . 1 39 39 LEU CG C 13 27.122 0.000 . . . . . . . 797 L CG . 53779 1 467 . 1 . 1 39 39 LEU CD1 C 13 22.818 0.000 . . . . . . . 797 L CD1 . 53779 1 468 . 1 . 1 39 39 LEU CD2 C 13 27.059 0.000 . . . . . . . 797 L CD2 . 53779 1 469 . 1 . 1 39 39 LEU N N 15 121.623 0.000 . . . . . . . 797 L N . 53779 1 470 . 1 . 1 40 40 GLY H H 1 8.028 0.000 . . . . . . . 798 G H . 53779 1 471 . 1 . 1 40 40 GLY HA2 H 1 3.780 0.010 . . . . . . . 798 G HA2 . 53779 1 472 . 1 . 1 40 40 GLY HA3 H 1 3.928 0.010 . . . . . . . 798 G HA3 . 53779 1 473 . 1 . 1 40 40 GLY C C 13 174.887 0.000 . . . . . . . 798 G C . 53779 1 474 . 1 . 1 40 40 GLY CA C 13 45.606 0.000 . . . . . . . 798 G CA . 53779 1 475 . 1 . 1 40 40 GLY N N 15 106.903 0.000 . . . . . . . 798 G N . 53779 1 476 . 1 . 1 41 41 TYR H H 1 8.141 0.000 . . . . . . . 799 Y H . 53779 1 477 . 1 . 1 41 41 TYR HA H 1 4.262 0.000 . . . . . . . 799 Y HA . 53779 1 478 . 1 . 1 41 41 TYR HB2 H 1 2.686 0.000 . . . . . . . 799 Y HB2 . 53779 1 479 . 1 . 1 41 41 TYR HB3 H 1 2.704 0.000 . . . . . . . 799 Y HB3 . 53779 1 480 . 1 . 1 41 41 TYR HD1 H 1 7.260 0.000 . . . . . . . 799 Y HD1 . 53779 1 481 . 1 . 1 41 41 TYR HD2 H 1 7.265 0.000 . . . . . . . 799 Y HD2 . 53779 1 482 . 1 . 1 41 41 TYR HE1 H 1 6.816 0.010 . . . . . . . 799 Y HE1 . 53779 1 483 . 1 . 1 41 41 TYR HE2 H 1 8.129 0.010 . . . . . . . 799 Y HE2 . 53779 1 484 . 1 . 1 41 41 TYR C C 13 176.206 0.000 . . . . . . . 799 Y C . 53779 1 485 . 1 . 1 41 41 TYR CA C 13 58.925 0.000 . . . . . . . 799 Y CA . 53779 1 486 . 1 . 1 41 41 TYR CB C 13 39.413 0.000 . . . . . . . 799 Y CB . 53779 1 487 . 1 . 1 41 41 TYR CD1 C 13 133.527 0.000 . . . . . . . 799 Y CD1 . 53779 1 488 . 1 . 1 41 41 TYR CE1 C 13 118.251 0.000 . . . . . . . 799 Y CE1 . 53779 1 489 . 1 . 1 41 41 TYR N N 15 120.758 0.000 . . . . . . . 799 Y N . 53779 1 490 . 1 . 1 42 42 ASP H H 1 8.937 0.000 . . . . . . . 800 D H . 53779 1 491 . 1 . 1 42 42 ASP HA H 1 4.890 0.000 . . . . . . . 800 D HA . 53779 1 492 . 1 . 1 42 42 ASP HB2 H 1 2.585 0.000 . . . . . . . 800 D HB2 . 53779 1 493 . 1 . 1 42 42 ASP HB3 H 1 2.893 0.000 . . . . . . . 800 D HB3 . 53779 1 494 . 1 . 1 42 42 ASP C C 13 176.340 0.000 . . . . . . . 800 D C . 53779 1 495 . 1 . 1 42 42 ASP CA C 13 53.449 0.000 . . . . . . . 800 D CA . 53779 1 496 . 1 . 1 42 42 ASP CB C 13 39.972 0.000 . . . . . . . 800 D CB . 53779 1 497 . 1 . 1 42 42 ASP N N 15 124.962 0.000 . . . . . . . 800 D N . 53779 1 498 . 1 . 1 43 43 VAL H H 1 7.372 0.000 . . . . . . . 801 V H . 53779 1 499 . 1 . 1 43 43 VAL HA H 1 4.623 0.000 . . . . . . . 801 V HA . 53779 1 500 . 1 . 1 43 43 VAL HB H 1 2.377 0.000 . . . . . . . 801 V HB . 53779 1 501 . 1 . 1 43 43 VAL HG11 H 1 0.713 0.000 . . . . . . . 801 V QG1 . 53779 1 502 . 1 . 1 43 43 VAL HG12 H 1 0.713 0.000 . . . . . . . 801 V QG1 . 53779 1 503 . 1 . 1 43 43 VAL HG13 H 1 0.713 0.000 . . . . . . . 801 V QG1 . 53779 1 504 . 1 . 1 43 43 VAL HG21 H 1 0.889 0.000 . . . . . . . 801 V QG2 . 53779 1 505 . 1 . 1 43 43 VAL HG22 H 1 0.889 0.000 . . . . . . . 801 V QG2 . 53779 1 506 . 1 . 1 43 43 VAL HG23 H 1 0.889 0.000 . . . . . . . 801 V QG2 . 53779 1 507 . 1 . 1 43 43 VAL C C 13 174.961 0.000 . . . . . . . 801 V C . 53779 1 508 . 1 . 1 43 43 VAL CA C 13 60.509 0.000 . . . . . . . 801 V CA . 53779 1 509 . 1 . 1 43 43 VAL CB C 13 32.032 0.000 . . . . . . . 801 V CB . 53779 1 510 . 1 . 1 43 43 VAL CG1 C 13 19.797 0.000 . . . . . . . 801 V CG1 . 53779 1 511 . 1 . 1 43 43 VAL CG2 C 13 22.112 0.000 . . . . . . . 801 V CG2 . 53779 1 512 . 1 . 1 43 43 VAL N N 15 113.203 0.000 . . . . . . . 801 V N . 53779 1 513 . 1 . 1 44 44 GLU H H 1 8.385 0.000 . . . . . . . 802 E H . 53779 1 514 . 1 . 1 44 44 GLU HA H 1 4.351 0.000 . . . . . . . 802 E HA . 53779 1 515 . 1 . 1 44 44 GLU HB2 H 1 1.881 0.000 . . . . . . . 802 E HB2 . 53779 1 516 . 1 . 1 44 44 GLU HB3 H 1 2.359 0.010 . . . . . . . 802 E HB3 . 53779 1 517 . 1 . 1 44 44 GLU HG2 H 1 2.141 0.000 . . . . . . . 802 E HG2 . 53779 1 518 . 1 . 1 44 44 GLU HG3 H 1 2.155 0.000 . . . . . . . 802 E HG3 . 53779 1 519 . 1 . 1 44 44 GLU C C 13 176.298 0.000 . . . . . . . 802 E C . 53779 1 520 . 1 . 1 44 44 GLU CA C 13 56.526 0.000 . . . . . . . 802 E CA . 53779 1 521 . 1 . 1 44 44 GLU CB C 13 31.325 0.000 . . . . . . . 802 E CB . 53779 1 522 . 1 . 1 44 44 GLU CG C 13 36.830 0.000 . . . . . . . 802 E CG . 53779 1 523 . 1 . 1 44 44 GLU N N 15 120.729 0.000 . . . . . . . 802 E N . 53779 1 524 . 1 . 1 45 45 ASN H H 1 8.231 0.000 . . . . . . . 803 N H . 53779 1 525 . 1 . 1 45 45 ASN HA H 1 4.654 0.000 . . . . . . . 803 N HA . 53779 1 526 . 1 . 1 45 45 ASN HB2 H 1 2.833 0.000 . . . . . . . 803 N HB2 . 53779 1 527 . 1 . 1 45 45 ASN HB3 H 1 2.853 0.000 . . . . . . . 803 N HB3 . 53779 1 528 . 1 . 1 45 45 ASN HD21 H 1 6.908 0.000 . . . . . . . 803 N HD21 . 53779 1 529 . 1 . 1 45 45 ASN HD22 H 1 7.845 0.000 . . . . . . . 803 N HD22 . 53779 1 530 . 1 . 1 45 45 ASN C C 13 175.302 0.000 . . . . . . . 803 N C . 53779 1 531 . 1 . 1 45 45 ASN CA C 13 53.987 0.000 . . . . . . . 803 N CA . 53779 1 532 . 1 . 1 45 45 ASN CB C 13 38.786 0.000 . . . . . . . 803 N CB . 53779 1 533 . 1 . 1 45 45 ASN N N 15 118.374 0.000 . . . . . . . 803 N N . 53779 1 534 . 1 . 1 45 45 ASN ND2 N 15 114.199 0.000 . . . . . . . 803 N ND2 . 53779 1 535 . 1 . 1 46 46 ASP H H 1 8.478 0.000 . . . . . . . 804 D H . 53779 1 536 . 1 . 1 46 46 ASP HA H 1 4.527 0.000 . . . . . . . 804 D HA . 53779 1 537 . 1 . 1 46 46 ASP HB2 H 1 2.835 0.000 . . . . . . . 804 D HB2 . 53779 1 538 . 1 . 1 46 46 ASP HB3 H 1 2.835 0.000 . . . . . . . 804 D HB3 . 53779 1 539 . 1 . 1 46 46 ASP C C 13 176.832 0.000 . . . . . . . 804 D C . 53779 1 540 . 1 . 1 46 46 ASP CA C 13 54.574 0.000 . . . . . . . 804 D CA . 53779 1 541 . 1 . 1 46 46 ASP CB C 13 41.524 0.000 . . . . . . . 804 D CB . 53779 1 542 . 1 . 1 46 46 ASP N N 15 121.445 0.000 . . . . . . . 804 D N . 53779 1 543 . 1 . 1 47 47 ARG H H 1 8.504 0.000 . . . . . . . 805 R H . 53779 1 544 . 1 . 1 47 47 ARG HA H 1 4.234 0.000 . . . . . . . 805 R HA . 53779 1 545 . 1 . 1 47 47 ARG HB2 H 1 1.905 0.000 . . . . . . . 805 R HB2 . 53779 1 546 . 1 . 1 47 47 ARG HB3 H 1 2.330 0.010 . . . . . . . 805 R HB3 . 53779 1 547 . 1 . 1 47 47 ARG HG2 H 1 1.720 0.000 . . . . . . . 805 R HG2 . 53779 1 548 . 1 . 1 47 47 ARG HG3 H 1 1.729 0.000 . . . . . . . 805 R HG3 . 53779 1 549 . 1 . 1 47 47 ARG HD2 H 1 3.244 0.000 . . . . . . . 805 R HD2 . 53779 1 550 . 1 . 1 47 47 ARG HD3 H 1 3.250 0.000 . . . . . . . 805 R HD3 . 53779 1 551 . 1 . 1 47 47 ARG HE H 1 8.076 0.010 . . . . . . . 805 R HE . 53779 1 552 . 1 . 1 47 47 ARG C C 13 178.278 0.000 . . . . . . . 805 R C . 53779 1 553 . 1 . 1 47 47 ARG CA C 13 58.534 0.000 . . . . . . . 805 R CA . 53779 1 554 . 1 . 1 47 47 ARG CB C 13 30.278 0.000 . . . . . . . 805 R CB . 53779 1 555 . 1 . 1 47 47 ARG CG C 13 27.186 0.000 . . . . . . . 805 R CG . 53779 1 556 . 1 . 1 47 47 ARG CD C 13 43.434 0.000 . . . . . . . 805 R CD . 53779 1 557 . 1 . 1 47 47 ARG N N 15 120.323 0.000 . . . . . . . 805 R N . 53779 1 558 . 1 . 1 48 48 GLN H H 1 8.558 0.000 . . . . . . . 806 Q H . 53779 1 559 . 1 . 1 48 48 GLN HA H 1 4.341 0.000 . . . . . . . 806 Q HA . 53779 1 560 . 1 . 1 48 48 GLN HB2 H 1 2.159 0.000 . . . . . . . 806 Q HB2 . 53779 1 561 . 1 . 1 48 48 GLN HB3 H 1 2.183 0.010 . . . . . . . 806 Q HB3 . 53779 1 562 . 1 . 1 48 48 GLN HG2 H 1 2.436 0.000 . . . . . . . 806 Q HG2 . 53779 1 563 . 1 . 1 48 48 GLN HG3 H 1 2.751 0.010 . . . . . . . 806 Q HG3 . 53779 1 564 . 1 . 1 48 48 GLN HE21 H 1 6.882 0.000 . . . . . . . 806 Q HE21 . 53779 1 565 . 1 . 1 48 48 GLN HE22 H 1 7.647 0.000 . . . . . . . 806 Q HE22 . 53779 1 566 . 1 . 1 48 48 GLN C C 13 177.893 0.000 . . . . . . . 806 Q C . 53779 1 567 . 1 . 1 48 48 GLN CA C 13 57.640 0.000 . . . . . . . 806 Q CA . 53779 1 568 . 1 . 1 48 48 GLN CB C 13 28.646 0.000 . . . . . . . 806 Q CB . 53779 1 569 . 1 . 1 48 48 GLN CG C 13 34.123 0.000 . . . . . . . 806 Q CG . 53779 1 570 . 1 . 1 48 48 GLN N N 15 119.023 0.000 . . . . . . . 806 Q N . 53779 1 571 . 1 . 1 48 48 GLN NE2 N 15 112.352 0.000 . . . . . . . 806 Q NE2 . 53779 1 572 . 1 . 1 49 49 GLY H H 1 8.338 0.000 . . . . . . . 807 G H . 53779 1 573 . 1 . 1 49 49 GLY HA2 H 1 3.915 0.010 . . . . . . . 807 G HA2 . 53779 1 574 . 1 . 1 49 49 GLY HA3 H 1 4.050 0.010 . . . . . . . 807 G HA3 . 53779 1 575 . 1 . 1 49 49 GLY C C 13 175.669 0.000 . . . . . . . 807 G C . 53779 1 576 . 1 . 1 49 49 GLY CA C 13 47.145 0.000 . . . . . . . 807 G CA . 53779 1 577 . 1 . 1 49 49 GLY N N 15 110.952 0.000 . . . . . . . 807 G N . 53779 1 578 . 1 . 1 50 50 GLU H H 1 8.216 0.000 . . . . . . . 808 E H . 53779 1 579 . 1 . 1 50 50 GLU HA H 1 4.233 0.000 . . . . . . . 808 E HA . 53779 1 580 . 1 . 1 50 50 GLU HB2 H 1 2.072 0.000 . . . . . . . 808 E HB2 . 53779 1 581 . 1 . 1 50 50 GLU HB3 H 1 2.367 0.010 . . . . . . . 808 E HB3 . 53779 1 582 . 1 . 1 50 50 GLU HG2 H 1 1.905 0.010 . . . . . . . 808 E HG2 . 53779 1 583 . 1 . 1 50 50 GLU HG3 H 1 2.262 0.010 . . . . . . . 808 E HG3 . 53779 1 584 . 1 . 1 50 50 GLU C C 13 178.259 0.000 . . . . . . . 808 E C . 53779 1 585 . 1 . 1 50 50 GLU CA C 13 58.792 0.000 . . . . . . . 808 E CA . 53779 1 586 . 1 . 1 50 50 GLU CB C 13 29.902 0.000 . . . . . . . 808 E CB . 53779 1 587 . 1 . 1 50 50 GLU CG C 13 36.381 0.000 . . . . . . . 808 E CG . 53779 1 588 . 1 . 1 50 50 GLU N N 15 121.902 0.000 . . . . . . . 808 E N . 53779 1 589 . 1 . 1 51 51 ALA H H 1 8.012 0.000 . . . . . . . 809 A H . 53779 1 590 . 1 . 1 51 51 ALA HA H 1 4.241 0.000 . . . . . . . 809 A HA . 53779 1 591 . 1 . 1 51 51 ALA HB1 H 1 1.564 0.000 . . . . . . . 809 A HB# . 53779 1 592 . 1 . 1 51 51 ALA HB2 H 1 1.564 0.000 . . . . . . . 809 A HB# . 53779 1 593 . 1 . 1 51 51 ALA HB3 H 1 1.564 0.000 . . . . . . . 809 A HB# . 53779 1 594 . 1 . 1 51 51 ALA C C 13 180.887 0.000 . . . . . . . 809 A C . 53779 1 595 . 1 . 1 51 51 ALA CA C 13 55.134 0.000 . . . . . . . 809 A CA . 53779 1 596 . 1 . 1 51 51 ALA CB C 13 18.116 0.000 . . . . . . . 809 A CB . 53779 1 597 . 1 . 1 51 51 ALA N N 15 121.826 0.000 . . . . . . . 809 A N . 53779 1 598 . 1 . 1 52 52 GLU H H 1 8.295 0.000 . . . . . . . 810 E H . 53779 1 599 . 1 . 1 52 52 GLU HA H 1 4.677 0.000 . . . . . . . 810 E HA . 53779 1 600 . 1 . 1 52 52 GLU HB2 H 1 2.204 0.000 . . . . . . . 810 E HB2 . 53779 1 601 . 1 . 1 52 52 GLU HB3 H 1 2.223 0.000 . . . . . . . 810 E HB3 . 53779 1 602 . 1 . 1 52 52 GLU HG2 H 1 2.206 0.010 . . . . . . . 810 E HG2 . 53779 1 603 . 1 . 1 52 52 GLU HG3 H 1 2.882 0.000 . . . . . . . 810 E HG3 . 53779 1 604 . 1 . 1 52 52 GLU C C 13 178.331 0.000 . . . . . . . 810 E C . 53779 1 605 . 1 . 1 52 52 GLU CA C 13 58.200 0.000 . . . . . . . 810 E CA . 53779 1 606 . 1 . 1 52 52 GLU CB C 13 29.127 0.000 . . . . . . . 810 E CB . 53779 1 607 . 1 . 1 52 52 GLU CG C 13 39.271 0.000 . . . . . . . 810 E CG . 53779 1 608 . 1 . 1 52 52 GLU N N 15 121.893 0.000 . . . . . . . 810 E N . 53779 1 609 . 1 . 1 53 53 PHE H H 1 8.803 0.000 . . . . . . . 811 F H . 53779 1 610 . 1 . 1 53 53 PHE HA H 1 4.035 0.000 . . . . . . . 811 F HA . 53779 1 611 . 1 . 1 53 53 PHE HB2 H 1 3.147 0.000 . . . . . . . 811 F HB2 . 53779 1 612 . 1 . 1 53 53 PHE HB3 H 1 3.150 0.000 . . . . . . . 811 F HB3 . 53779 1 613 . 1 . 1 53 53 PHE HD1 H 1 7.041 0.000 . . . . . . . 811 F HD1 . 53779 1 614 . 1 . 1 53 53 PHE HD2 H 1 7.056 0.010 . . . . . . . 811 F HD2 . 53779 1 615 . 1 . 1 53 53 PHE HE1 H 1 6.531 0.010 . . . . . . . 811 F HE1 . 53779 1 616 . 1 . 1 53 53 PHE HE2 H 1 8.461 0.010 . . . . . . . 811 F HE2 . 53779 1 617 . 1 . 1 53 53 PHE HZ H 1 6.526 0.010 . . . . . . . 811 F HZ . 53779 1 618 . 1 . 1 53 53 PHE C C 13 176.862 0.000 . . . . . . . 811 F C . 53779 1 619 . 1 . 1 53 53 PHE CA C 13 62.247 0.000 . . . . . . . 811 F CA . 53779 1 620 . 1 . 1 53 53 PHE CB C 13 38.895 0.000 . . . . . . . 811 F CB . 53779 1 621 . 1 . 1 53 53 PHE CD1 C 13 131.493 0.000 . . . . . . . 811 F CD1 . 53779 1 622 . 1 . 1 53 53 PHE CE1 C 13 134.472 0.010 . . . . . . . 811 F CE1 . 53779 1 623 . 1 . 1 53 53 PHE CZ C 13 132.786 0.010 . . . . . . . 811 F CZ . 53779 1 624 . 1 . 1 53 53 PHE N N 15 120.582 0.000 . . . . . . . 811 F N . 53779 1 625 . 1 . 1 54 54 ASN H H 1 8.469 0.000 . . . . . . . 812 N H . 53779 1 626 . 1 . 1 54 54 ASN HA H 1 4.194 0.000 . . . . . . . 812 N HA . 53779 1 627 . 1 . 1 54 54 ASN HB2 H 1 2.805 0.000 . . . . . . . 812 N HB2 . 53779 1 628 . 1 . 1 54 54 ASN HB3 H 1 2.897 0.000 . . . . . . . 812 N HB3 . 53779 1 629 . 1 . 1 54 54 ASN HD21 H 1 7.074 0.000 . . . . . . . 812 N HD21 . 53779 1 630 . 1 . 1 54 54 ASN HD22 H 1 7.600 0.000 . . . . . . . 812 N HD22 . 53779 1 631 . 1 . 1 54 54 ASN C C 13 178.234 0.000 . . . . . . . 812 N C . 53779 1 632 . 1 . 1 54 54 ASN CA C 13 56.267 0.000 . . . . . . . 812 N CA . 53779 1 633 . 1 . 1 54 54 ASN CB C 13 38.018 0.000 . . . . . . . 812 N CB . 53779 1 634 . 1 . 1 54 54 ASN N N 15 116.421 0.000 . . . . . . . 812 N N . 53779 1 635 . 1 . 1 54 54 ASN ND2 N 15 112.274 0.000 . . . . . . . 812 N ND2 . 53779 1 636 . 1 . 1 55 55 ARG H H 1 8.108 0.000 . . . . . . . 813 R H . 53779 1 637 . 1 . 1 55 55 ARG HA H 1 3.964 0.000 . . . . . . . 813 R HA . 53779 1 638 . 1 . 1 55 55 ARG HB2 H 1 1.928 0.010 . . . . . . . 813 R HB2 . 53779 1 639 . 1 . 1 55 55 ARG HB3 H 1 2.293 0.000 . . . . . . . 813 R HB3 . 53779 1 640 . 1 . 1 55 55 ARG HG2 H 1 1.344 0.000 . . . . . . . 813 R HG2 . 53779 1 641 . 1 . 1 55 55 ARG HG3 H 1 1.346 0.000 . . . . . . . 813 R HG3 . 53779 1 642 . 1 . 1 55 55 ARG HD2 H 1 3.052 0.000 . . . . . . . 813 R HD2 . 53779 1 643 . 1 . 1 55 55 ARG HD3 H 1 3.457 0.000 . . . . . . . 813 R HD3 . 53779 1 644 . 1 . 1 55 55 ARG HE H 1 8.109 0.000 . . . . . . . 813 R HE . 53779 1 645 . 1 . 1 55 55 ARG C C 13 179.359 0.000 . . . . . . . 813 R C . 53779 1 646 . 1 . 1 55 55 ARG CA C 13 59.744 0.000 . . . . . . . 813 R CA . 53779 1 647 . 1 . 1 55 55 ARG CB C 13 30.357 0.000 . . . . . . . 813 R CB . 53779 1 648 . 1 . 1 55 55 ARG CG C 13 27.528 0.000 . . . . . . . 813 R CG . 53779 1 649 . 1 . 1 55 55 ARG CD C 13 42.956 0.000 . . . . . . . 813 R CD . 53779 1 650 . 1 . 1 55 55 ARG N N 15 123.211 0.000 . . . . . . . 813 R N . 53779 1 651 . 1 . 1 56 56 ILE H H 1 8.142 0.000 . . . . . . . 814 I H . 53779 1 652 . 1 . 1 56 56 ILE HA H 1 3.306 0.000 . . . . . . . 814 I HA . 53779 1 653 . 1 . 1 56 56 ILE HB H 1 1.543 0.000 . . . . . . . 814 I HB . 53779 1 654 . 1 . 1 56 56 ILE HG12 H 1 0.867 0.000 . . . . . . . 814 I HG12 . 53779 1 655 . 1 . 1 56 56 ILE HG13 H 1 1.840 0.000 . . . . . . . 814 I HG13 . 53779 1 656 . 1 . 1 56 56 ILE HG21 H 1 0.247 0.000 . . . . . . . 814 I QG2 . 53779 1 657 . 1 . 1 56 56 ILE HG22 H 1 0.247 0.000 . . . . . . . 814 I QG2 . 53779 1 658 . 1 . 1 56 56 ILE HG23 H 1 0.247 0.000 . . . . . . . 814 I QG2 . 53779 1 659 . 1 . 1 56 56 ILE HD11 H 1 0.724 0.000 . . . . . . . 814 I QD1 . 53779 1 660 . 1 . 1 56 56 ILE HD12 H 1 0.724 0.000 . . . . . . . 814 I QD1 . 53779 1 661 . 1 . 1 56 56 ILE HD13 H 1 0.724 0.000 . . . . . . . 814 I QD1 . 53779 1 662 . 1 . 1 56 56 ILE C C 13 178.727 0.000 . . . . . . . 814 I C . 53779 1 663 . 1 . 1 56 56 ILE CA C 13 66.220 0.000 . . . . . . . 814 I CA . 53779 1 664 . 1 . 1 56 56 ILE CB C 13 38.176 0.000 . . . . . . . 814 I CB . 53779 1 665 . 1 . 1 56 56 ILE CG1 C 13 28.849 0.000 . . . . . . . 814 I CG1 . 53779 1 666 . 1 . 1 56 56 ILE CG2 C 13 17.054 0.000 . . . . . . . 814 I CG2 . 53779 1 667 . 1 . 1 56 56 ILE CD1 C 13 14.282 0.000 . . . . . . . 814 I CD1 . 53779 1 668 . 1 . 1 56 56 ILE N N 15 121.238 0.000 . . . . . . . 814 I N . 53779 1 669 . 1 . 1 57 57 MET H H 1 8.557 0.000 . . . . . . . 815 M H . 53779 1 670 . 1 . 1 57 57 MET HA H 1 4.226 0.000 . . . . . . . 815 M HA . 53779 1 671 . 1 . 1 57 57 MET HB2 H 1 1.710 0.010 . . . . . . . 815 M HB2 . 53779 1 672 . 1 . 1 57 57 MET HB3 H 1 3.077 0.010 . . . . . . . 815 M HB3 . 53779 1 673 . 1 . 1 57 57 MET HG2 H 1 1.610 0.000 . . . . . . . 815 M HG2 . 53779 1 674 . 1 . 1 57 57 MET HG3 H 1 2.206 0.000 . . . . . . . 815 M HG3 . 53779 1 675 . 1 . 1 57 57 MET HE1 H 1 1.786 0.000 . . . . . . . 815 M HE# . 53779 1 676 . 1 . 1 57 57 MET HE2 H 1 1.786 0.000 . . . . . . . 815 M HE# . 53779 1 677 . 1 . 1 57 57 MET HE3 H 1 1.786 0.000 . . . . . . . 815 M HE# . 53779 1 678 . 1 . 1 57 57 MET C C 13 178.820 0.000 . . . . . . . 815 M C . 53779 1 679 . 1 . 1 57 57 MET CA C 13 56.513 0.000 . . . . . . . 815 M CA . 53779 1 680 . 1 . 1 57 57 MET CB C 13 29.757 0.000 . . . . . . . 815 M CB . 53779 1 681 . 1 . 1 57 57 MET CG C 13 32.167 0.000 . . . . . . . 815 M CG . 53779 1 682 . 1 . 1 57 57 MET CE C 13 15.527 0.000 . . . . . . . 815 M CE . 53779 1 683 . 1 . 1 57 57 MET N N 15 118.818 0.000 . . . . . . . 815 M N . 53779 1 684 . 1 . 1 58 58 SER H H 1 7.733 0.000 . . . . . . . 816 S H . 53779 1 685 . 1 . 1 58 58 SER HA H 1 4.069 0.000 . . . . . . . 816 S HA . 53779 1 686 . 1 . 1 58 58 SER HB2 H 1 3.949 0.000 . . . . . . . 816 S HB2 . 53779 1 687 . 1 . 1 58 58 SER HB3 H 1 4.006 0.000 . . . . . . . 816 S HB3 . 53779 1 688 . 1 . 1 58 58 SER C C 13 174.793 0.000 . . . . . . . 816 S C . 53779 1 689 . 1 . 1 58 58 SER CA C 13 61.682 0.000 . . . . . . . 816 S CA . 53779 1 690 . 1 . 1 58 58 SER CB C 13 63.121 0.000 . . . . . . . 816 S CB . 53779 1 691 . 1 . 1 58 58 SER N N 15 114.421 0.000 . . . . . . . 816 S N . 53779 1 692 . 1 . 1 59 59 LEU H H 1 7.341 0.000 . . . . . . . 817 L H . 53779 1 693 . 1 . 1 59 59 LEU HA H 1 4.305 0.000 . . . . . . . 817 L HA . 53779 1 694 . 1 . 1 59 59 LEU HB2 H 1 1.567 0.000 . . . . . . . 817 L HB2 . 53779 1 695 . 1 . 1 59 59 LEU HB3 H 1 2.049 0.000 . . . . . . . 817 L HB3 . 53779 1 696 . 1 . 1 59 59 LEU HG H 1 1.848 0.000 . . . . . . . 817 L HG . 53779 1 697 . 1 . 1 59 59 LEU HD11 H 1 1.022 0.000 . . . . . . . 817 L QD1 . 53779 1 698 . 1 . 1 59 59 LEU HD12 H 1 1.022 0.000 . . . . . . . 817 L QD1 . 53779 1 699 . 1 . 1 59 59 LEU HD13 H 1 1.022 0.000 . . . . . . . 817 L QD1 . 53779 1 700 . 1 . 1 59 59 LEU HD21 H 1 1.015 0.010 . . . . . . . 817 L QD2 . 53779 1 701 . 1 . 1 59 59 LEU HD22 H 1 1.015 0.010 . . . . . . . 817 L QD2 . 53779 1 702 . 1 . 1 59 59 LEU HD23 H 1 1.015 0.010 . . . . . . . 817 L QD2 . 53779 1 703 . 1 . 1 59 59 LEU C C 13 179.436 0.000 . . . . . . . 817 L C . 53779 1 704 . 1 . 1 59 59 LEU CA C 13 56.750 0.000 . . . . . . . 817 L CA . 53779 1 705 . 1 . 1 59 59 LEU CB C 13 42.824 0.000 . . . . . . . 817 L CB . 53779 1 706 . 1 . 1 59 59 LEU CG C 13 26.618 0.000 . . . . . . . 817 L CG . 53779 1 707 . 1 . 1 59 59 LEU CD1 C 13 25.869 0.010 . . . . . . . 817 L CD1 . 53779 1 708 . 1 . 1 59 59 LEU CD2 C 13 25.933 0.000 . . . . . . . 817 L CD2 . 53779 1 709 . 1 . 1 59 59 LEU N N 15 120.348 0.000 . . . . . . . 817 L N . 53779 1 710 . 1 . 1 60 60 VAL H H 1 7.889 0.000 . . . . . . . 818 V H . 53779 1 711 . 1 . 1 60 60 VAL HA H 1 4.308 0.000 . . . . . . . 818 V HA . 53779 1 712 . 1 . 1 60 60 VAL HB H 1 1.941 0.000 . . . . . . . 818 V HB . 53779 1 713 . 1 . 1 60 60 VAL HG11 H 1 0.668 0.000 . . . . . . . 818 V QG1 . 53779 1 714 . 1 . 1 60 60 VAL HG12 H 1 0.668 0.000 . . . . . . . 818 V QG1 . 53779 1 715 . 1 . 1 60 60 VAL HG13 H 1 0.668 0.000 . . . . . . . 818 V QG1 . 53779 1 716 . 1 . 1 60 60 VAL HG21 H 1 0.665 0.000 . . . . . . . 818 V QG2 . 53779 1 717 . 1 . 1 60 60 VAL HG22 H 1 0.665 0.000 . . . . . . . 818 V QG2 . 53779 1 718 . 1 . 1 60 60 VAL HG23 H 1 0.665 0.000 . . . . . . . 818 V QG2 . 53779 1 719 . 1 . 1 60 60 VAL C C 13 175.242 0.000 . . . . . . . 818 V C . 53779 1 720 . 1 . 1 60 60 VAL CA C 13 62.366 0.000 . . . . . . . 818 V CA . 53779 1 721 . 1 . 1 60 60 VAL CB C 13 32.476 0.000 . . . . . . . 818 V CB . 53779 1 722 . 1 . 1 60 60 VAL CG1 C 13 21.230 0.000 . . . . . . . 818 V CG1 . 53779 1 723 . 1 . 1 60 60 VAL CG2 C 13 21.844 0.000 . . . . . . . 818 V CG2 . 53779 1 724 . 1 . 1 60 60 VAL N N 15 110.762 0.000 . . . . . . . 818 V N . 53779 1 725 . 1 . 1 61 61 ASP H H 1 8.050 0.000 . . . . . . . 819 D H . 53779 1 726 . 1 . 1 61 61 ASP HA H 1 5.187 0.000 . . . . . . . 819 D HA . 53779 1 727 . 1 . 1 61 61 ASP HB2 H 1 2.085 0.000 . . . . . . . 819 D HB2 . 53779 1 728 . 1 . 1 61 61 ASP HB3 H 1 2.740 0.000 . . . . . . . 819 D HB3 . 53779 1 729 . 1 . 1 61 61 ASP C C 13 176.286 0.000 . . . . . . . 819 D C . 53779 1 730 . 1 . 1 61 61 ASP CA C 13 51.837 0.000 . . . . . . . 819 D CA . 53779 1 731 . 1 . 1 61 61 ASP CB C 13 41.119 0.000 . . . . . . . 819 D CB . 53779 1 732 . 1 . 1 61 61 ASP N N 15 119.844 0.000 . . . . . . . 819 D N . 53779 1 733 . 1 . 1 62 62 PRO HA H 1 4.309 0.000 . . . . . . . 820 P HA . 53779 1 734 . 1 . 1 62 62 PRO HB2 H 1 1.892 0.000 . . . . . . . 820 P HB2 . 53779 1 735 . 1 . 1 62 62 PRO HB3 H 1 2.363 0.000 . . . . . . . 820 P HB3 . 53779 1 736 . 1 . 1 62 62 PRO HG2 H 1 1.823 0.000 . . . . . . . 820 P HG2 . 53779 1 737 . 1 . 1 62 62 PRO HG3 H 1 2.065 0.010 . . . . . . . 820 P HG3 . 53779 1 738 . 1 . 1 62 62 PRO HD2 H 1 3.227 0.000 . . . . . . . 820 P HD2 . 53779 1 739 . 1 . 1 62 62 PRO HD3 H 1 3.636 0.000 . . . . . . . 820 P HD3 . 53779 1 740 . 1 . 1 62 62 PRO C C 13 177.577 0.000 . . . . . . . 820 P C . 53779 1 741 . 1 . 1 62 62 PRO CA C 13 64.780 0.000 . . . . . . . 820 P CA . 53779 1 742 . 1 . 1 62 62 PRO CB C 13 31.757 0.000 . . . . . . . 820 P CB . 53779 1 743 . 1 . 1 62 62 PRO CG C 13 27.199 0.000 . . . . . . . 820 P CG . 53779 1 744 . 1 . 1 62 62 PRO CD C 13 50.543 0.000 . . . . . . . 820 P CD . 53779 1 745 . 1 . 1 63 63 ASN H H 1 8.598 0.000 . . . . . . . 821 N H . 53779 1 746 . 1 . 1 63 63 ASN HA H 1 5.187 0.000 . . . . . . . 821 N HA . 53779 1 747 . 1 . 1 63 63 ASN HB2 H 1 2.734 0.010 . . . . . . . 821 N HB2 . 53779 1 748 . 1 . 1 63 63 ASN HB3 H 1 2.741 0.010 . . . . . . . 821 N HB3 . 53779 1 749 . 1 . 1 63 63 ASN HD21 H 1 6.980 0.000 . . . . . . . 821 N HD21 . 53779 1 750 . 1 . 1 63 63 ASN HD22 H 1 7.461 0.000 . . . . . . . 821 N HD22 . 53779 1 751 . 1 . 1 63 63 ASN C C 13 175.260 0.000 . . . . . . . 821 N C . 53779 1 752 . 1 . 1 63 63 ASN CA C 13 52.086 0.000 . . . . . . . 821 N CA . 53779 1 753 . 1 . 1 63 63 ASN CB C 13 41.005 0.000 . . . . . . . 821 N CB . 53779 1 754 . 1 . 1 63 63 ASN N N 15 114.022 0.000 . . . . . . . 821 N N . 53779 1 755 . 1 . 1 63 63 ASN ND2 N 15 113.324 0.000 . . . . . . . 821 N ND2 . 53779 1 756 . 1 . 1 64 64 HIS H H 1 8.027 0.000 . . . . . . . 822 H H . 53779 1 757 . 1 . 1 64 64 HIS HA H 1 4.188 0.000 . . . . . . . 822 H HA . 53779 1 758 . 1 . 1 64 64 HIS HB2 H 1 3.226 0.000 . . . . . . . 822 H HB2 . 53779 1 759 . 1 . 1 64 64 HIS HB3 H 1 3.295 0.000 . . . . . . . 822 H HB3 . 53779 1 760 . 1 . 1 64 64 HIS HD1 H 1 4.766 0.010 . . . . . . . 822 H HD1 . 53779 1 761 . 1 . 1 64 64 HIS HD2 H 1 7.087 0.000 . . . . . . . 822 H HD2 . 53779 1 762 . 1 . 1 64 64 HIS HE1 H 1 8.002 0.010 . . . . . . . 822 H HE1 . 53779 1 763 . 1 . 1 64 64 HIS C C 13 175.263 0.000 . . . . . . . 822 H C . 53779 1 764 . 1 . 1 64 64 HIS CA C 13 56.666 0.000 . . . . . . . 822 H CA . 53779 1 765 . 1 . 1 64 64 HIS CB C 13 26.388 0.000 . . . . . . . 822 H CB . 53779 1 766 . 1 . 1 64 64 HIS CD2 C 13 120.125 0.000 . . . . . . . 822 H CD2 . 53779 1 767 . 1 . 1 64 64 HIS CE1 C 13 137.267 0.000 . . . . . . . 822 H CE1 . 53779 1 768 . 1 . 1 64 64 HIS N N 15 116.952 0.000 . . . . . . . 822 H N . 53779 1 769 . 1 . 1 64 64 HIS ND1 N 15 121.246 0.010 . . . . . . . 822 H ND1 . 53779 1 770 . 1 . 1 65 65 SER H H 1 9.766 0.000 . . . . . . . 823 S H . 53779 1 771 . 1 . 1 65 65 SER HA H 1 4.253 0.000 . . . . . . . 823 S HA . 53779 1 772 . 1 . 1 65 65 SER HB2 H 1 3.926 0.000 . . . . . . . 823 S HB2 . 53779 1 773 . 1 . 1 65 65 SER HB3 H 1 3.925 0.000 . . . . . . . 823 S HB3 . 53779 1 774 . 1 . 1 65 65 SER C C 13 176.681 0.000 . . . . . . . 823 S C . 53779 1 775 . 1 . 1 65 65 SER CA C 13 60.645 0.000 . . . . . . . 823 S CA . 53779 1 776 . 1 . 1 65 65 SER CB C 13 65.142 0.000 . . . . . . . 823 S CB . 53779 1 777 . 1 . 1 65 65 SER N N 15 119.266 0.000 . . . . . . . 823 S N . 53779 1 778 . 1 . 1 66 66 GLY H H 1 10.542 0.000 . . . . . . . 824 G H . 53779 1 779 . 1 . 1 66 66 GLY HA2 H 1 3.412 0.000 . . . . . . . 824 G HA2 . 53779 1 780 . 1 . 1 66 66 GLY HA3 H 1 4.146 0.000 . . . . . . . 824 G HA3 . 53779 1 781 . 1 . 1 66 66 GLY C C 13 172.468 0.000 . . . . . . . 824 G C . 53779 1 782 . 1 . 1 66 66 GLY CA C 13 45.311 0.000 . . . . . . . 824 G CA . 53779 1 783 . 1 . 1 66 66 GLY N N 15 114.537 0.000 . . . . . . . 824 G N . 53779 1 784 . 1 . 1 67 67 LEU H H 1 7.665 0.000 . . . . . . . 825 L H . 53779 1 785 . 1 . 1 67 67 LEU HA H 1 4.826 0.000 . . . . . . . 825 L HA . 53779 1 786 . 1 . 1 67 67 LEU HB2 H 1 1.055 0.000 . . . . . . . 825 L HB2 . 53779 1 787 . 1 . 1 67 67 LEU HB3 H 1 1.449 0.000 . . . . . . . 825 L HB3 . 53779 1 788 . 1 . 1 67 67 LEU HG H 1 1.352 0.000 . . . . . . . 825 L HG . 53779 1 789 . 1 . 1 67 67 LEU HD11 H 1 0.733 0.000 . . . . . . . 825 L QD1 . 53779 1 790 . 1 . 1 67 67 LEU HD12 H 1 0.733 0.000 . . . . . . . 825 L QD1 . 53779 1 791 . 1 . 1 67 67 LEU HD13 H 1 0.733 0.000 . . . . . . . 825 L QD1 . 53779 1 792 . 1 . 1 67 67 LEU HD21 H 1 0.744 0.000 . . . . . . . 825 L QD2 . 53779 1 793 . 1 . 1 67 67 LEU HD22 H 1 0.744 0.000 . . . . . . . 825 L QD2 . 53779 1 794 . 1 . 1 67 67 LEU HD23 H 1 0.744 0.000 . . . . . . . 825 L QD2 . 53779 1 795 . 1 . 1 67 67 LEU C C 13 175.286 0.000 . . . . . . . 825 L C . 53779 1 796 . 1 . 1 67 67 LEU CA C 13 53.304 0.000 . . . . . . . 825 L CA . 53779 1 797 . 1 . 1 67 67 LEU CB C 13 46.360 0.000 . . . . . . . 825 L CB . 53779 1 798 . 1 . 1 67 67 LEU CG C 13 26.499 0.000 . . . . . . . 825 L CG . 53779 1 799 . 1 . 1 67 67 LEU CD1 C 13 23.433 0.000 . . . . . . . 825 L CD1 . 53779 1 800 . 1 . 1 67 67 LEU CD2 C 13 25.376 0.000 . . . . . . . 825 L CD2 . 53779 1 801 . 1 . 1 67 67 LEU N N 15 119.314 0.000 . . . . . . . 825 L N . 53779 1 802 . 1 . 1 68 68 VAL H H 1 9.121 0.000 . . . . . . . 826 V H . 53779 1 803 . 1 . 1 68 68 VAL HA H 1 4.049 0.000 . . . . . . . 826 V HA . 53779 1 804 . 1 . 1 68 68 VAL HB H 1 1.639 0.000 . . . . . . . 826 V HB . 53779 1 805 . 1 . 1 68 68 VAL HG11 H 1 0.280 0.000 . . . . . . . 826 V QG1 . 53779 1 806 . 1 . 1 68 68 VAL HG12 H 1 0.280 0.000 . . . . . . . 826 V QG1 . 53779 1 807 . 1 . 1 68 68 VAL HG13 H 1 0.280 0.000 . . . . . . . 826 V QG1 . 53779 1 808 . 1 . 1 68 68 VAL HG21 H 1 0.135 0.000 . . . . . . . 826 V QG2 . 53779 1 809 . 1 . 1 68 68 VAL HG22 H 1 0.135 0.000 . . . . . . . 826 V QG2 . 53779 1 810 . 1 . 1 68 68 VAL HG23 H 1 0.135 0.000 . . . . . . . 826 V QG2 . 53779 1 811 . 1 . 1 68 68 VAL C C 13 176.468 0.000 . . . . . . . 826 V C . 53779 1 812 . 1 . 1 68 68 VAL CA C 13 61.714 0.000 . . . . . . . 826 V CA . 53779 1 813 . 1 . 1 68 68 VAL CB C 13 32.649 0.000 . . . . . . . 826 V CB . 53779 1 814 . 1 . 1 68 68 VAL CG1 C 13 19.977 0.000 . . . . . . . 826 V CG1 . 53779 1 815 . 1 . 1 68 68 VAL CG2 C 13 19.995 0.000 . . . . . . . 826 V CG2 . 53779 1 816 . 1 . 1 68 68 VAL N N 15 121.235 0.000 . . . . . . . 826 V N . 53779 1 817 . 1 . 1 69 69 THR H H 1 7.871 0.000 . . . . . . . 827 T H . 53779 1 818 . 1 . 1 69 69 THR HA H 1 4.775 0.010 . . . . . . . 827 T HA . 53779 1 819 . 1 . 1 69 69 THR HB H 1 4.777 0.000 . . . . . . . 827 T HB . 53779 1 820 . 1 . 1 69 69 THR HG21 H 1 1.364 0.000 . . . . . . . 827 T QG2 . 53779 1 821 . 1 . 1 69 69 THR HG22 H 1 1.364 0.000 . . . . . . . 827 T QG2 . 53779 1 822 . 1 . 1 69 69 THR HG23 H 1 1.364 0.000 . . . . . . . 827 T QG2 . 53779 1 823 . 1 . 1 69 69 THR C C 13 174.833 0.000 . . . . . . . 827 T C . 53779 1 824 . 1 . 1 69 69 THR CA C 13 61.361 0.010 . . . . . . . 827 T CA . 53779 1 825 . 1 . 1 69 69 THR CB C 13 70.933 0.000 . . . . . . . 827 T CB . 53779 1 826 . 1 . 1 69 69 THR CG2 C 13 22.078 0.000 . . . . . . . 827 T CG2 . 53779 1 827 . 1 . 1 69 69 THR N N 15 116.541 0.000 . . . . . . . 827 T N . 53779 1 828 . 1 . 1 70 70 PHE H H 1 8.469 0.000 . . . . . . . 828 F H . 53779 1 829 . 1 . 1 70 70 PHE HA H 1 3.466 0.000 . . . . . . . 828 F HA . 53779 1 830 . 1 . 1 70 70 PHE HB2 H 1 2.421 0.000 . . . . . . . 828 F HB2 . 53779 1 831 . 1 . 1 70 70 PHE HB3 H 1 2.710 0.000 . . . . . . . 828 F HB3 . 53779 1 832 . 1 . 1 70 70 PHE HD1 H 1 6.510 0.000 . . . . . . . 828 F HD1 . 53779 1 833 . 1 . 1 70 70 PHE HD2 H 1 6.510 0.010 . . . . . . . 828 F HD2 . 53779 1 834 . 1 . 1 70 70 PHE HE1 H 1 6.511 0.000 . . . . . . . 828 F HE1 . 53779 1 835 . 1 . 1 70 70 PHE HE2 H 1 7.188 0.010 . . . . . . . 828 F HE2 . 53779 1 836 . 1 . 1 70 70 PHE HZ H 1 7.123 0.010 . . . . . . . 828 F HZ . 53779 1 837 . 1 . 1 70 70 PHE C C 13 176.704 0.000 . . . . . . . 828 F C . 53779 1 838 . 1 . 1 70 70 PHE CA C 13 61.852 0.000 . . . . . . . 828 F CA . 53779 1 839 . 1 . 1 70 70 PHE CB C 13 38.392 0.000 . . . . . . . 828 F CB . 53779 1 840 . 1 . 1 70 70 PHE CD1 C 13 131.569 0.010 . . . . . . . 828 F CD1 . 53779 1 841 . 1 . 1 70 70 PHE CE1 C 13 131.706 0.000 . . . . . . . 828 F CE1 . 53779 1 842 . 1 . 1 70 70 PHE CZ C 13 131.917 0.000 . . . . . . . 828 F CZ . 53779 1 843 . 1 . 1 70 70 PHE N N 15 121.332 0.000 . . . . . . . 828 F N . 53779 1 844 . 1 . 1 71 71 GLN H H 1 8.617 0.000 . . . . . . . 829 Q H . 53779 1 845 . 1 . 1 71 71 GLN HA H 1 3.629 0.000 . . . . . . . 829 Q HA . 53779 1 846 . 1 . 1 71 71 GLN HB2 H 1 1.908 0.000 . . . . . . . 829 Q HB2 . 53779 1 847 . 1 . 1 71 71 GLN HB3 H 1 2.165 0.000 . . . . . . . 829 Q HB3 . 53779 1 848 . 1 . 1 71 71 GLN HG2 H 1 2.360 0.000 . . . . . . . 829 Q HG2 . 53779 1 849 . 1 . 1 71 71 GLN HG3 H 1 2.368 0.010 . . . . . . . 829 Q HG3 . 53779 1 850 . 1 . 1 71 71 GLN HE21 H 1 6.840 0.000 . . . . . . . 829 Q HE21 . 53779 1 851 . 1 . 1 71 71 GLN HE22 H 1 7.810 0.000 . . . . . . . 829 Q HE22 . 53779 1 852 . 1 . 1 71 71 GLN C C 13 177.332 0.000 . . . . . . . 829 Q C . 53779 1 853 . 1 . 1 71 71 GLN CA C 13 58.686 0.000 . . . . . . . 829 Q CA . 53779 1 854 . 1 . 1 71 71 GLN CB C 13 28.283 0.000 . . . . . . . 829 Q CB . 53779 1 855 . 1 . 1 71 71 GLN CG C 13 33.650 0.000 . . . . . . . 829 Q CG . 53779 1 856 . 1 . 1 71 71 GLN N N 15 116.784 0.000 . . . . . . . 829 Q N . 53779 1 857 . 1 . 1 71 71 GLN NE2 N 15 115.359 0.000 . . . . . . . 829 Q NE2 . 53779 1 858 . 1 . 1 72 72 ALA H H 1 7.718 0.000 . . . . . . . 830 A H . 53779 1 859 . 1 . 1 72 72 ALA HA H 1 4.149 0.000 . . . . . . . 830 A HA . 53779 1 860 . 1 . 1 72 72 ALA HB1 H 1 1.596 0.000 . . . . . . . 830 A HB# . 53779 1 861 . 1 . 1 72 72 ALA HB2 H 1 1.596 0.000 . . . . . . . 830 A HB# . 53779 1 862 . 1 . 1 72 72 ALA HB3 H 1 1.596 0.000 . . . . . . . 830 A HB# . 53779 1 863 . 1 . 1 72 72 ALA C C 13 180.954 0.000 . . . . . . . 830 A C . 53779 1 864 . 1 . 1 72 72 ALA CA C 13 55.163 0.000 . . . . . . . 830 A CA . 53779 1 865 . 1 . 1 72 72 ALA CB C 13 19.149 0.000 . . . . . . . 830 A CB . 53779 1 866 . 1 . 1 72 72 ALA N N 15 121.456 0.000 . . . . . . . 830 A N . 53779 1 867 . 1 . 1 73 73 PHE H H 1 8.201 0.000 . . . . . . . 831 F H . 53779 1 868 . 1 . 1 73 73 PHE HA H 1 4.157 0.000 . . . . . . . 831 F HA . 53779 1 869 . 1 . 1 73 73 PHE HB2 H 1 3.052 0.000 . . . . . . . 831 F HB2 . 53779 1 870 . 1 . 1 73 73 PHE HB3 H 1 3.259 0.000 . . . . . . . 831 F HB3 . 53779 1 871 . 1 . 1 73 73 PHE HD1 H 1 7.075 0.000 . . . . . . . 831 F HD1 . 53779 1 872 . 1 . 1 73 73 PHE HD2 H 1 7.086 0.010 . . . . . . . 831 F HD2 . 53779 1 873 . 1 . 1 73 73 PHE HE1 H 1 7.276 0.010 . . . . . . . 831 F HE1 . 53779 1 874 . 1 . 1 73 73 PHE HE2 H 1 7.280 0.010 . . . . . . . 831 F HE2 . 53779 1 875 . 1 . 1 73 73 PHE HZ H 1 7.390 0.010 . . . . . . . 831 F HZ . 53779 1 876 . 1 . 1 73 73 PHE C C 13 176.330 0.000 . . . . . . . 831 F C . 53779 1 877 . 1 . 1 73 73 PHE CA C 13 60.767 0.000 . . . . . . . 831 F CA . 53779 1 878 . 1 . 1 73 73 PHE CB C 13 39.278 0.000 . . . . . . . 831 F CB . 53779 1 879 . 1 . 1 73 73 PHE CD1 C 13 131.256 0.000 . . . . . . . 831 F CD1 . 53779 1 880 . 1 . 1 73 73 PHE CE1 C 13 133.610 0.010 . . . . . . . 831 F CE1 . 53779 1 881 . 1 . 1 73 73 PHE CZ C 13 131.686 0.000 . . . . . . . 831 F CZ . 53779 1 882 . 1 . 1 73 73 PHE N N 15 119.459 0.000 . . . . . . . 831 F N . 53779 1 883 . 1 . 1 74 74 ILE H H 1 8.408 0.000 . . . . . . . 832 I H . 53779 1 884 . 1 . 1 74 74 ILE HA H 1 3.196 0.000 . . . . . . . 832 I HA . 53779 1 885 . 1 . 1 74 74 ILE HB H 1 1.564 0.000 . . . . . . . 832 I HB . 53779 1 886 . 1 . 1 74 74 ILE HG12 H 1 0.879 0.000 . . . . . . . 832 I HG12 . 53779 1 887 . 1 . 1 74 74 ILE HG13 H 1 0.888 0.000 . . . . . . . 832 I HG13 . 53779 1 888 . 1 . 1 74 74 ILE HG21 H 1 0.638 0.000 . . . . . . . 832 I QG2 . 53779 1 889 . 1 . 1 74 74 ILE HG22 H 1 0.638 0.000 . . . . . . . 832 I QG2 . 53779 1 890 . 1 . 1 74 74 ILE HG23 H 1 0.638 0.000 . . . . . . . 832 I QG2 . 53779 1 891 . 1 . 1 74 74 ILE HD11 H 1 0.562 0.000 . . . . . . . 832 I QD1 . 53779 1 892 . 1 . 1 74 74 ILE HD12 H 1 0.562 0.000 . . . . . . . 832 I QD1 . 53779 1 893 . 1 . 1 74 74 ILE HD13 H 1 0.562 0.000 . . . . . . . 832 I QD1 . 53779 1 894 . 1 . 1 74 74 ILE C C 13 178.901 0.000 . . . . . . . 832 I C . 53779 1 895 . 1 . 1 74 74 ILE CA C 13 62.268 0.000 . . . . . . . 832 I CA . 53779 1 896 . 1 . 1 74 74 ILE CB C 13 35.954 0.000 . . . . . . . 832 I CB . 53779 1 897 . 1 . 1 74 74 ILE CG1 C 13 27.004 0.000 . . . . . . . 832 I CG1 . 53779 1 898 . 1 . 1 74 74 ILE CG2 C 13 18.368 0.000 . . . . . . . 832 I CG2 . 53779 1 899 . 1 . 1 74 74 ILE CD1 C 13 11.780 0.000 . . . . . . . 832 I CD1 . 53779 1 900 . 1 . 1 74 74 ILE N N 15 119.505 0.000 . . . . . . . 832 I N . 53779 1 901 . 1 . 1 75 75 ASP H H 1 8.391 0.000 . . . . . . . 833 D H . 53779 1 902 . 1 . 1 75 75 ASP HA H 1 4.219 0.000 . . . . . . . 833 D HA . 53779 1 903 . 1 . 1 75 75 ASP HB2 H 1 2.622 0.000 . . . . . . . 833 D HB2 . 53779 1 904 . 1 . 1 75 75 ASP HB3 H 1 2.778 0.000 . . . . . . . 833 D HB3 . 53779 1 905 . 1 . 1 75 75 ASP C C 13 178.756 0.000 . . . . . . . 833 D C . 53779 1 906 . 1 . 1 75 75 ASP CA C 13 57.694 0.000 . . . . . . . 833 D CA . 53779 1 907 . 1 . 1 75 75 ASP CB C 13 40.113 0.000 . . . . . . . 833 D CB . 53779 1 908 . 1 . 1 75 75 ASP N N 15 123.864 0.000 . . . . . . . 833 D N . 53779 1 909 . 1 . 1 76 76 PHE H H 1 7.774 0.000 . . . . . . . 834 F H . 53779 1 910 . 1 . 1 76 76 PHE HA H 1 4.194 0.000 . . . . . . . 834 F HA . 53779 1 911 . 1 . 1 76 76 PHE HB2 H 1 3.145 0.000 . . . . . . . 834 F HB2 . 53779 1 912 . 1 . 1 76 76 PHE HB3 H 1 3.151 0.000 . . . . . . . 834 F HB3 . 53779 1 913 . 1 . 1 76 76 PHE HD1 H 1 7.023 0.000 . . . . . . . 834 F HD1 . 53779 1 914 . 1 . 1 76 76 PHE HD2 H 1 7.044 0.000 . . . . . . . 834 F HD2 . 53779 1 915 . 1 . 1 76 76 PHE HE1 H 1 6.963 0.010 . . . . . . . 834 F HE1 . 53779 1 916 . 1 . 1 76 76 PHE HE2 H 1 7.031 0.010 . . . . . . . 834 F HE2 . 53779 1 917 . 1 . 1 76 76 PHE HZ H 1 7.083 0.010 . . . . . . . 834 F HZ . 53779 1 918 . 1 . 1 76 76 PHE C C 13 177.426 0.000 . . . . . . . 834 F C . 53779 1 919 . 1 . 1 76 76 PHE CA C 13 60.998 0.000 . . . . . . . 834 F CA . 53779 1 920 . 1 . 1 76 76 PHE CB C 13 39.233 0.000 . . . . . . . 834 F CB . 53779 1 921 . 1 . 1 76 76 PHE CD1 C 13 131.305 0.000 . . . . . . . 834 F CD1 . 53779 1 922 . 1 . 1 76 76 PHE CE1 C 13 131.346 0.000 . . . . . . . 834 F CE1 . 53779 1 923 . 1 . 1 76 76 PHE CZ C 13 131.289 0.010 . . . . . . . 834 F CZ . 53779 1 924 . 1 . 1 76 76 PHE N N 15 121.003 0.000 . . . . . . . 834 F N . 53779 1 925 . 1 . 1 77 77 MET H H 1 8.259 0.000 . . . . . . . 835 M H . 53779 1 926 . 1 . 1 77 77 MET HA H 1 3.805 0.000 . . . . . . . 835 M HA . 53779 1 927 . 1 . 1 77 77 MET HB2 H 1 1.273 0.000 . . . . . . . 835 M HB2 . 53779 1 928 . 1 . 1 77 77 MET HB3 H 1 1.282 0.000 . . . . . . . 835 M HB3 . 53779 1 929 . 1 . 1 77 77 MET HG2 H 1 1.226 0.000 . . . . . . . 835 M HG2 . 53779 1 930 . 1 . 1 77 77 MET HG3 H 1 1.771 0.000 . . . . . . . 835 M HG3 . 53779 1 931 . 1 . 1 77 77 MET HE1 H 1 0.893 0.010 . . . . . . . 835 M HE# . 53779 1 932 . 1 . 1 77 77 MET HE2 H 1 0.893 0.010 . . . . . . . 835 M HE# . 53779 1 933 . 1 . 1 77 77 MET HE3 H 1 0.893 0.010 . . . . . . . 835 M HE# . 53779 1 934 . 1 . 1 77 77 MET C C 13 179.043 0.000 . . . . . . . 835 M C . 53779 1 935 . 1 . 1 77 77 MET CA C 13 56.031 0.000 . . . . . . . 835 M CA . 53779 1 936 . 1 . 1 77 77 MET CB C 13 30.738 0.000 . . . . . . . 835 M CB . 53779 1 937 . 1 . 1 77 77 MET CG C 13 31.861 0.000 . . . . . . . 835 M CG . 53779 1 938 . 1 . 1 77 77 MET CE C 13 22.030 0.000 . . . . . . . 835 M CE . 53779 1 939 . 1 . 1 77 77 MET N N 15 117.570 0.000 . . . . . . . 835 M N . 53779 1 940 . 1 . 1 78 78 SER H H 1 8.055 0.000 . . . . . . . 836 S H . 53779 1 941 . 1 . 1 78 78 SER HA H 1 4.216 0.000 . . . . . . . 836 S HA . 53779 1 942 . 1 . 1 78 78 SER HB2 H 1 3.871 0.000 . . . . . . . 836 S HB2 . 53779 1 943 . 1 . 1 78 78 SER HB3 H 1 3.905 0.010 . . . . . . . 836 S HB3 . 53779 1 944 . 1 . 1 78 78 SER C C 13 174.988 0.000 . . . . . . . 836 S C . 53779 1 945 . 1 . 1 78 78 SER CA C 13 60.500 0.000 . . . . . . . 836 S CA . 53779 1 946 . 1 . 1 78 78 SER CB C 13 63.547 0.000 . . . . . . . 836 S CB . 53779 1 947 . 1 . 1 78 78 SER N N 15 113.898 0.000 . . . . . . . 836 S N . 53779 1 948 . 1 . 1 79 79 ARG H H 1 7.283 0.000 . . . . . . . 837 R H . 53779 1 949 . 1 . 1 79 79 ARG HA H 1 4.187 0.000 . . . . . . . 837 R HA . 53779 1 950 . 1 . 1 79 79 ARG HB2 H 1 1.843 0.000 . . . . . . . 837 R HB2 . 53779 1 951 . 1 . 1 79 79 ARG HB3 H 1 1.850 0.000 . . . . . . . 837 R HB3 . 53779 1 952 . 1 . 1 79 79 ARG HG2 H 1 1.616 0.010 . . . . . . . 837 R HG2 . 53779 1 953 . 1 . 1 79 79 ARG HG3 H 1 1.616 0.010 . . . . . . . 837 R HG3 . 53779 1 954 . 1 . 1 79 79 ARG HD2 H 1 3.166 0.000 . . . . . . . 837 R HD2 . 53779 1 955 . 1 . 1 79 79 ARG HD3 H 1 3.168 0.000 . . . . . . . 837 R HD3 . 53779 1 956 . 1 . 1 79 79 ARG HE H 1 7.763 0.000 . . . . . . . 837 R HE . 53779 1 957 . 1 . 1 79 79 ARG C C 13 175.147 0.010 . . . . . . . 837 R C . 53779 1 958 . 1 . 1 79 79 ARG CA C 13 57.214 0.000 . . . . . . . 837 R CA . 53779 1 959 . 1 . 1 79 79 ARG CB C 13 30.431 0.000 . . . . . . . 837 R CB . 53779 1 960 . 1 . 1 79 79 ARG CG C 13 27.451 0.000 . . . . . . . 837 R CG . 53779 1 961 . 1 . 1 79 79 ARG CD C 13 43.482 0.000 . . . . . . . 837 R CD . 53779 1 962 . 1 . 1 79 79 ARG N N 15 121.459 0.000 . . . . . . . 837 R N . 53779 1 963 . 1 . 1 80 80 GLU H H 1 8.033 0.000 . . . . . . . 838 E H . 53779 1 964 . 1 . 1 80 80 GLU HA H 1 4.208 0.000 . . . . . . . 838 E HA . 53779 1 965 . 1 . 1 80 80 GLU HB2 H 1 1.995 0.000 . . . . . . . 838 E HB2 . 53779 1 966 . 1 . 1 80 80 GLU HB3 H 1 1.999 0.010 . . . . . . . 838 E HB3 . 53779 1 967 . 1 . 1 80 80 GLU HG2 H 1 1.565 0.010 . . . . . . . 838 E HG2 . 53779 1 968 . 1 . 1 80 80 GLU HG3 H 1 1.894 0.000 . . . . . . . 838 E HG3 . 53779 1 969 . 1 . 1 80 80 GLU C C 13 177.232 0.000 . . . . . . . 838 E C . 53779 1 970 . 1 . 1 80 80 GLU CA C 13 57.063 0.000 . . . . . . . 838 E CA . 53779 1 971 . 1 . 1 80 80 GLU CB C 13 30.526 0.000 . . . . . . . 838 E CB . 53779 1 972 . 1 . 1 80 80 GLU CG C 13 36.378 0.000 . . . . . . . 838 E CG . 53779 1 973 . 1 . 1 80 80 GLU N N 15 120.176 0.000 . . . . . . . 838 E N . 53779 1 974 . 1 . 1 81 81 THR H H 1 7.910 0.000 . . . . . . . 839 T H . 53779 1 975 . 1 . 1 81 81 THR HA H 1 4.758 0.000 . . . . . . . 839 T HA . 53779 1 976 . 1 . 1 81 81 THR HB H 1 4.269 0.000 . . . . . . . 839 T HB . 53779 1 977 . 1 . 1 81 81 THR HG21 H 1 1.210 0.010 . . . . . . . 839 T QG2 . 53779 1 978 . 1 . 1 81 81 THR HG22 H 1 1.210 0.010 . . . . . . . 839 T QG2 . 53779 1 979 . 1 . 1 81 81 THR HG23 H 1 1.210 0.010 . . . . . . . 839 T QG2 . 53779 1 980 . 1 . 1 81 81 THR C C 13 174.667 0.000 . . . . . . . 839 T C . 53779 1 981 . 1 . 1 81 81 THR CA C 13 62.170 0.000 . . . . . . . 839 T CA . 53779 1 982 . 1 . 1 81 81 THR CB C 13 69.908 0.000 . . . . . . . 839 T CB . 53779 1 983 . 1 . 1 81 81 THR CG2 C 13 21.719 0.000 . . . . . . . 839 T CG2 . 53779 1 984 . 1 . 1 81 81 THR N N 15 113.339 0.000 . . . . . . . 839 T N . 53779 1 985 . 1 . 1 82 82 THR H H 1 8.079 0.000 . . . . . . . 840 T H . 53779 1 986 . 1 . 1 82 82 THR HA H 1 4.421 0.010 . . . . . . . 840 T HA . 53779 1 987 . 1 . 1 82 82 THR HB H 1 4.278 0.010 . . . . . . . 840 T HB . 53779 1 988 . 1 . 1 82 82 THR HG21 H 1 1.217 0.000 . . . . . . . 840 T QG2 . 53779 1 989 . 1 . 1 82 82 THR HG22 H 1 1.217 0.000 . . . . . . . 840 T QG2 . 53779 1 990 . 1 . 1 82 82 THR HG23 H 1 1.217 0.000 . . . . . . . 840 T QG2 . 53779 1 991 . 1 . 1 82 82 THR C C 13 176.474 0.010 . . . . . . . 840 T C . 53779 1 992 . 1 . 1 82 82 THR CA C 13 62.206 0.000 . . . . . . . 840 T CA . 53779 1 993 . 1 . 1 82 82 THR CB C 13 69.893 0.000 . . . . . . . 840 T CB . 53779 1 994 . 1 . 1 82 82 THR CG2 C 13 21.776 0.000 . . . . . . . 840 T CG2 . 53779 1 995 . 1 . 1 82 82 THR N N 15 116.080 0.000 . . . . . . . 840 T N . 53779 1 996 . 1 . 1 83 83 ASP H H 1 8.427 0.000 . . . . . . . 841 D H . 53779 1 997 . 1 . 1 83 83 ASP HA H 1 4.677 0.010 . . . . . . . 841 D HA . 53779 1 998 . 1 . 1 83 83 ASP HB2 H 1 2.709 0.010 . . . . . . . 841 D HB2 . 53779 1 999 . 1 . 1 83 83 ASP HB3 H 1 2.729 0.000 . . . . . . . 841 D HB3 . 53779 1 1000 . 1 . 1 83 83 ASP C C 13 177.167 0.000 . . . . . . . 841 D C . 53779 1 1001 . 1 . 1 83 83 ASP CA C 13 54.752 0.000 . . . . . . . 841 D CA . 53779 1 1002 . 1 . 1 83 83 ASP CB C 13 41.120 0.000 . . . . . . . 841 D CB . 53779 1 1003 . 1 . 1 83 83 ASP N N 15 123.164 0.000 . . . . . . . 841 D N . 53779 1 1004 . 1 . 1 84 84 THR H H 1 8.168 0.000 . . . . . . . 842 T H . 53779 1 1005 . 1 . 1 84 84 THR HA H 1 4.313 0.010 . . . . . . . 842 T HA . 53779 1 1006 . 1 . 1 84 84 THR HB H 1 4.273 0.000 . . . . . . . 842 T HB . 53779 1 1007 . 1 . 1 84 84 THR HG21 H 1 1.210 0.000 . . . . . . . 842 T QG2 . 53779 1 1008 . 1 . 1 84 84 THR HG22 H 1 1.210 0.000 . . . . . . . 842 T QG2 . 53779 1 1009 . 1 . 1 84 84 THR HG23 H 1 1.210 0.000 . . . . . . . 842 T QG2 . 53779 1 1010 . 1 . 1 84 84 THR C C 13 174.288 0.000 . . . . . . . 842 T C . 53779 1 1011 . 1 . 1 84 84 THR CA C 13 62.260 0.000 . . . . . . . 842 T CA . 53779 1 1012 . 1 . 1 84 84 THR CB C 13 69.776 0.000 . . . . . . . 842 T CB . 53779 1 1013 . 1 . 1 84 84 THR CG2 C 13 21.707 0.000 . . . . . . . 842 T CG2 . 53779 1 1014 . 1 . 1 84 84 THR N N 15 114.607 0.000 . . . . . . . 842 T N . 53779 1 1015 . 1 . 1 85 85 ASP H H 1 8.424 0.000 . . . . . . . 843 D H . 53779 1 1016 . 1 . 1 85 85 ASP HA H 1 4.682 0.010 . . . . . . . 843 D HA . 53779 1 1017 . 1 . 1 85 85 ASP HB2 H 1 2.385 0.010 . . . . . . . 843 D HB2 . 53779 1 1018 . 1 . 1 85 85 ASP HB3 H 1 2.713 0.010 . . . . . . . 843 D HB3 . 53779 1 1019 . 1 . 1 85 85 ASP C C 13 176.612 0.000 . . . . . . . 843 D C . 53779 1 1020 . 1 . 1 85 85 ASP CA C 13 54.732 0.000 . . . . . . . 843 D CA . 53779 1 1021 . 1 . 1 85 85 ASP CB C 13 41.107 0.000 . . . . . . . 843 D CB . 53779 1 1022 . 1 . 1 85 85 ASP N N 15 123.154 0.000 . . . . . . . 843 D N . 53779 1 1023 . 1 . 1 86 86 THR H H 1 8.167 0.000 . . . . . . . 844 T H . 53779 1 1024 . 1 . 1 86 86 THR HA H 1 4.209 0.000 . . . . . . . 844 T HA . 53779 1 1025 . 1 . 1 86 86 THR HB H 1 4.268 0.000 . . . . . . . 844 T HB . 53779 1 1026 . 1 . 1 86 86 THR HG21 H 1 1.200 0.000 . . . . . . . 844 T QG2 . 53779 1 1027 . 1 . 1 86 86 THR HG22 H 1 1.200 0.000 . . . . . . . 844 T QG2 . 53779 1 1028 . 1 . 1 86 86 THR HG23 H 1 1.200 0.000 . . . . . . . 844 T QG2 . 53779 1 1029 . 1 . 1 86 86 THR C C 13 175.443 0.000 . . . . . . . 844 T C . 53779 1 1030 . 1 . 1 86 86 THR CA C 13 63.344 0.000 . . . . . . . 844 T CA . 53779 1 1031 . 1 . 1 86 86 THR CB C 13 69.685 0.000 . . . . . . . 844 T CB . 53779 1 1032 . 1 . 1 86 86 THR CG2 C 13 21.896 0.000 . . . . . . . 844 T CG2 . 53779 1 1033 . 1 . 1 86 86 THR N N 15 114.655 0.000 . . . . . . . 844 T N . 53779 1 1034 . 1 . 1 87 87 ALA H H 1 8.407 0.000 . . . . . . . 845 A H . 53779 1 1035 . 1 . 1 87 87 ALA HA H 1 4.189 0.000 . . . . . . . 845 A HA . 53779 1 1036 . 1 . 1 87 87 ALA HB1 H 1 1.517 0.000 . . . . . . . 845 A HB# . 53779 1 1037 . 1 . 1 87 87 ALA HB2 H 1 1.517 0.000 . . . . . . . 845 A HB# . 53779 1 1038 . 1 . 1 87 87 ALA HB3 H 1 1.517 0.000 . . . . . . . 845 A HB# . 53779 1 1039 . 1 . 1 87 87 ALA C C 13 178.618 0.000 . . . . . . . 845 A C . 53779 1 1040 . 1 . 1 87 87 ALA CA C 13 54.658 0.000 . . . . . . . 845 A CA . 53779 1 1041 . 1 . 1 87 87 ALA CB C 13 18.765 0.000 . . . . . . . 845 A CB . 53779 1 1042 . 1 . 1 87 87 ALA N N 15 124.969 0.000 . . . . . . . 845 A N . 53779 1 1043 . 1 . 1 88 88 ASP H H 1 8.261 0.000 . . . . . . . 846 D H . 53779 1 1044 . 1 . 1 88 88 ASP HA H 1 4.452 0.000 . . . . . . . 846 D HA . 53779 1 1045 . 1 . 1 88 88 ASP HB2 H 1 2.700 0.000 . . . . . . . 846 D HB2 . 53779 1 1046 . 1 . 1 88 88 ASP HB3 H 1 2.701 0.000 . . . . . . . 846 D HB3 . 53779 1 1047 . 1 . 1 88 88 ASP C C 13 178.468 0.000 . . . . . . . 846 D C . 53779 1 1048 . 1 . 1 88 88 ASP CA C 13 56.577 0.000 . . . . . . . 846 D CA . 53779 1 1049 . 1 . 1 88 88 ASP CB C 13 40.656 0.000 . . . . . . . 846 D CB . 53779 1 1050 . 1 . 1 88 88 ASP N N 15 117.346 0.000 . . . . . . . 846 D N . 53779 1 1051 . 1 . 1 89 89 GLN H H 1 8.067 0.000 . . . . . . . 847 Q H . 53779 1 1052 . 1 . 1 89 89 GLN HA H 1 4.127 0.000 . . . . . . . 847 Q HA . 53779 1 1053 . 1 . 1 89 89 GLN HB2 H 1 2.126 0.000 . . . . . . . 847 Q HB2 . 53779 1 1054 . 1 . 1 89 89 GLN HB3 H 1 2.708 0.010 . . . . . . . 847 Q HB3 . 53779 1 1055 . 1 . 1 89 89 GLN HG2 H 1 2.376 0.000 . . . . . . . 847 Q HG2 . 53779 1 1056 . 1 . 1 89 89 GLN HG3 H 1 2.425 0.010 . . . . . . . 847 Q HG3 . 53779 1 1057 . 1 . 1 89 89 GLN HE21 H 1 6.818 0.010 . . . . . . . 847 Q HE21 . 53779 1 1058 . 1 . 1 89 89 GLN HE22 H 1 7.485 0.010 . . . . . . . 847 Q HE22 . 53779 1 1059 . 1 . 1 89 89 GLN C C 13 178.290 0.000 . . . . . . . 847 Q C . 53779 1 1060 . 1 . 1 89 89 GLN CA C 13 57.985 0.000 . . . . . . . 847 Q CA . 53779 1 1061 . 1 . 1 89 89 GLN CB C 13 28.719 0.000 . . . . . . . 847 Q CB . 53779 1 1062 . 1 . 1 89 89 GLN CG C 13 34.054 0.000 . . . . . . . 847 Q CG . 53779 1 1063 . 1 . 1 89 89 GLN N N 15 120.383 0.000 . . . . . . . 847 Q N . 53779 1 1064 . 1 . 1 89 89 GLN NE2 N 15 112.218 0.000 . . . . . . . 847 Q NE2 . 53779 1 1065 . 1 . 1 90 90 VAL H H 1 8.011 0.000 . . . . . . . 848 V H . 53779 1 1066 . 1 . 1 90 90 VAL HA H 1 3.578 0.000 . . . . . . . 848 V HA . 53779 1 1067 . 1 . 1 90 90 VAL HB H 1 2.023 0.000 . . . . . . . 848 V HB . 53779 1 1068 . 1 . 1 90 90 VAL HG11 H 1 0.556 0.000 . . . . . . . 848 V QG1 . 53779 1 1069 . 1 . 1 90 90 VAL HG12 H 1 0.556 0.000 . . . . . . . 848 V QG1 . 53779 1 1070 . 1 . 1 90 90 VAL HG13 H 1 0.556 0.000 . . . . . . . 848 V QG1 . 53779 1 1071 . 1 . 1 90 90 VAL HG21 H 1 0.891 0.000 . . . . . . . 848 V QG2 . 53779 1 1072 . 1 . 1 90 90 VAL HG22 H 1 0.891 0.000 . . . . . . . 848 V QG2 . 53779 1 1073 . 1 . 1 90 90 VAL HG23 H 1 0.891 0.000 . . . . . . . 848 V QG2 . 53779 1 1074 . 1 . 1 90 90 VAL C C 13 177.901 0.000 . . . . . . . 848 V C . 53779 1 1075 . 1 . 1 90 90 VAL CA C 13 65.479 0.000 . . . . . . . 848 V CA . 53779 1 1076 . 1 . 1 90 90 VAL CB C 13 31.667 0.000 . . . . . . . 848 V CB . 53779 1 1077 . 1 . 1 90 90 VAL CG1 C 13 21.686 0.000 . . . . . . . 848 V CG1 . 53779 1 1078 . 1 . 1 90 90 VAL CG2 C 13 22.041 0.000 . . . . . . . 848 V CG2 . 53779 1 1079 . 1 . 1 90 90 VAL N N 15 121.496 0.000 . . . . . . . 848 V N . 53779 1 1080 . 1 . 1 91 91 ILE H H 1 8.074 0.000 . . . . . . . 849 I H . 53779 1 1081 . 1 . 1 91 91 ILE HA H 1 3.584 0.000 . . . . . . . 849 I HA . 53779 1 1082 . 1 . 1 91 91 ILE HB H 1 1.923 0.000 . . . . . . . 849 I HB . 53779 1 1083 . 1 . 1 91 91 ILE HG12 H 1 1.426 0.000 . . . . . . . 849 I HG12 . 53779 1 1084 . 1 . 1 91 91 ILE HG13 H 1 1.794 0.000 . . . . . . . 849 I HG13 . 53779 1 1085 . 1 . 1 91 91 ILE HG21 H 1 1.052 0.000 . . . . . . . 849 I QG2 . 53779 1 1086 . 1 . 1 91 91 ILE HG22 H 1 1.052 0.000 . . . . . . . 849 I QG2 . 53779 1 1087 . 1 . 1 91 91 ILE HG23 H 1 1.052 0.000 . . . . . . . 849 I QG2 . 53779 1 1088 . 1 . 1 91 91 ILE HD11 H 1 1.068 0.000 . . . . . . . 849 I QD1 . 53779 1 1089 . 1 . 1 91 91 ILE HD12 H 1 1.068 0.000 . . . . . . . 849 I QD1 . 53779 1 1090 . 1 . 1 91 91 ILE HD13 H 1 1.068 0.000 . . . . . . . 849 I QD1 . 53779 1 1091 . 1 . 1 91 91 ILE C C 13 177.813 0.000 . . . . . . . 849 I C . 53779 1 1092 . 1 . 1 91 91 ILE CA C 13 64.723 0.000 . . . . . . . 849 I CA . 53779 1 1093 . 1 . 1 91 91 ILE CB C 13 37.935 0.000 . . . . . . . 849 I CB . 53779 1 1094 . 1 . 1 91 91 ILE CG1 C 13 29.510 0.000 . . . . . . . 849 I CG1 . 53779 1 1095 . 1 . 1 91 91 ILE CG2 C 13 17.766 0.000 . . . . . . . 849 I CG2 . 53779 1 1096 . 1 . 1 91 91 ILE CD1 C 13 13.160 0.000 . . . . . . . 849 I CD1 . 53779 1 1097 . 1 . 1 91 91 ILE N N 15 121.226 0.000 . . . . . . . 849 I N . 53779 1 1098 . 1 . 1 92 92 ALA H H 1 7.830 0.000 . . . . . . . 850 A H . 53779 1 1099 . 1 . 1 92 92 ALA HA H 1 4.107 0.000 . . . . . . . 850 A HA . 53779 1 1100 . 1 . 1 92 92 ALA HB1 H 1 1.418 0.000 . . . . . . . 850 A HB# . 53779 1 1101 . 1 . 1 92 92 ALA HB2 H 1 1.418 0.000 . . . . . . . 850 A HB# . 53779 1 1102 . 1 . 1 92 92 ALA HB3 H 1 1.418 0.000 . . . . . . . 850 A HB# . 53779 1 1103 . 1 . 1 92 92 ALA C C 13 179.976 0.000 . . . . . . . 850 A C . 53779 1 1104 . 1 . 1 92 92 ALA CA C 13 54.629 0.000 . . . . . . . 850 A CA . 53779 1 1105 . 1 . 1 92 92 ALA CB C 13 18.254 0.000 . . . . . . . 850 A CB . 53779 1 1106 . 1 . 1 92 92 ALA N N 15 121.648 0.000 . . . . . . . 850 A N . 53779 1 1107 . 1 . 1 93 93 SER H H 1 7.757 0.000 . . . . . . . 851 S H . 53779 1 1108 . 1 . 1 93 93 SER HA H 1 4.223 0.000 . . . . . . . 851 S HA . 53779 1 1109 . 1 . 1 93 93 SER HB2 H 1 3.791 0.000 . . . . . . . 851 S HB2 . 53779 1 1110 . 1 . 1 93 93 SER HB3 H 1 4.773 0.010 . . . . . . . 851 S HB3 . 53779 1 1111 . 1 . 1 93 93 SER C C 13 177.543 0.000 . . . . . . . 851 S C . 53779 1 1112 . 1 . 1 93 93 SER CA C 13 60.693 0.000 . . . . . . . 851 S CA . 53779 1 1113 . 1 . 1 93 93 SER CB C 13 62.778 0.000 . . . . . . . 851 S CB . 53779 1 1114 . 1 . 1 93 93 SER N N 15 114.444 0.000 . . . . . . . 851 S N . 53779 1 1115 . 1 . 1 94 94 PHE H H 1 7.823 0.000 . . . . . . . 852 F H . 53779 1 1116 . 1 . 1 94 94 PHE HA H 1 4.235 0.000 . . . . . . . 852 F HA . 53779 1 1117 . 1 . 1 94 94 PHE HB2 H 1 2.568 0.000 . . . . . . . 852 F HB2 . 53779 1 1118 . 1 . 1 94 94 PHE HB3 H 1 2.958 0.000 . . . . . . . 852 F HB3 . 53779 1 1119 . 1 . 1 94 94 PHE HD1 H 1 7.041 0.000 . . . . . . . 852 F HD1 . 53779 1 1120 . 1 . 1 94 94 PHE HD2 H 1 7.044 0.000 . . . . . . . 852 F HD2 . 53779 1 1121 . 1 . 1 94 94 PHE HE1 H 1 6.333 0.000 . . . . . . . 852 F HE1 . 53779 1 1122 . 1 . 1 94 94 PHE HE2 H 1 7.019 0.010 . . . . . . . 852 F HE2 . 53779 1 1123 . 1 . 1 94 94 PHE HZ H 1 6.749 0.010 . . . . . . . 852 F HZ . 53779 1 1124 . 1 . 1 94 94 PHE C C 13 176.760 0.000 . . . . . . . 852 F C . 53779 1 1125 . 1 . 1 94 94 PHE CA C 13 59.090 0.000 . . . . . . . 852 F CA . 53779 1 1126 . 1 . 1 94 94 PHE CB C 13 38.670 0.000 . . . . . . . 852 F CB . 53779 1 1127 . 1 . 1 94 94 PHE CD1 C 13 130.652 0.000 . . . . . . . 852 F CD1 . 53779 1 1128 . 1 . 1 94 94 PHE CE1 C 13 132.218 0.000 . . . . . . . 852 F CE1 . 53779 1 1129 . 1 . 1 94 94 PHE CZ C 13 131.482 0.000 . . . . . . . 852 F CZ . 53779 1 1130 . 1 . 1 94 94 PHE N N 15 122.297 0.000 . . . . . . . 852 F N . 53779 1 1131 . 1 . 1 95 95 LYS H H 1 7.939 0.000 . . . . . . . 853 K H . 53779 1 1132 . 1 . 1 95 95 LYS HA H 1 3.621 0.000 . . . . . . . 853 K HA . 53779 1 1133 . 1 . 1 95 95 LYS HB2 H 1 1.833 0.000 . . . . . . . 853 K HB2 . 53779 1 1134 . 1 . 1 95 95 LYS HB3 H 1 1.906 0.000 . . . . . . . 853 K HB3 . 53779 1 1135 . 1 . 1 95 95 LYS HG2 H 1 1.480 0.000 . . . . . . . 853 K HG2 . 53779 1 1136 . 1 . 1 95 95 LYS HG3 H 1 1.482 0.000 . . . . . . . 853 K HG3 . 53779 1 1137 . 1 . 1 95 95 LYS HD2 H 1 1.721 0.000 . . . . . . . 853 K HD2 . 53779 1 1138 . 1 . 1 95 95 LYS HD3 H 1 2.981 0.010 . . . . . . . 853 K HD3 . 53779 1 1139 . 1 . 1 95 95 LYS HE2 H 1 2.620 0.000 . . . . . . . 853 K HE2 . 53779 1 1140 . 1 . 1 95 95 LYS HE3 H 1 2.986 0.000 . . . . . . . 853 K HE3 . 53779 1 1141 . 1 . 1 95 95 LYS C C 13 178.881 0.000 . . . . . . . 853 K C . 53779 1 1142 . 1 . 1 95 95 LYS CA C 13 59.755 0.000 . . . . . . . 853 K CA . 53779 1 1143 . 1 . 1 95 95 LYS CB C 13 32.288 0.000 . . . . . . . 853 K CB . 53779 1 1144 . 1 . 1 95 95 LYS CG C 13 25.308 0.000 . . . . . . . 853 K CG . 53779 1 1145 . 1 . 1 95 95 LYS CD C 13 29.498 0.000 . . . . . . . 853 K CD . 53779 1 1146 . 1 . 1 95 95 LYS CE C 13 42.259 0.000 . . . . . . . 853 K CE . 53779 1 1147 . 1 . 1 95 95 LYS N N 15 119.497 0.000 . . . . . . . 853 K N . 53779 1 1148 . 1 . 1 96 96 VAL H H 1 7.292 0.000 . . . . . . . 854 V H . 53779 1 1149 . 1 . 1 96 96 VAL HA H 1 3.726 0.000 . . . . . . . 854 V HA . 53779 1 1150 . 1 . 1 96 96 VAL HB H 1 2.109 0.000 . . . . . . . 854 V HB . 53779 1 1151 . 1 . 1 96 96 VAL HG11 H 1 0.917 0.000 . . . . . . . 854 V QG1 . 53779 1 1152 . 1 . 1 96 96 VAL HG12 H 1 0.917 0.000 . . . . . . . 854 V QG1 . 53779 1 1153 . 1 . 1 96 96 VAL HG13 H 1 0.917 0.000 . . . . . . . 854 V QG1 . 53779 1 1154 . 1 . 1 96 96 VAL HG21 H 1 1.036 0.000 . . . . . . . 854 V QG2 . 53779 1 1155 . 1 . 1 96 96 VAL HG22 H 1 1.036 0.000 . . . . . . . 854 V QG2 . 53779 1 1156 . 1 . 1 96 96 VAL HG23 H 1 1.036 0.000 . . . . . . . 854 V QG2 . 53779 1 1157 . 1 . 1 96 96 VAL C C 13 179.342 0.000 . . . . . . . 854 V C . 53779 1 1158 . 1 . 1 96 96 VAL CA C 13 65.644 0.000 . . . . . . . 854 V CA . 53779 1 1159 . 1 . 1 96 96 VAL CB C 13 31.802 0.000 . . . . . . . 854 V CB . 53779 1 1160 . 1 . 1 96 96 VAL CG1 C 13 21.160 0.000 . . . . . . . 854 V CG1 . 53779 1 1161 . 1 . 1 96 96 VAL CG2 C 13 22.348 0.000 . . . . . . . 854 V CG2 . 53779 1 1162 . 1 . 1 96 96 VAL N N 15 117.941 0.000 . . . . . . . 854 V N . 53779 1 1163 . 1 . 1 97 97 LEU H H 1 7.543 0.000 . . . . . . . 855 L H . 53779 1 1164 . 1 . 1 97 97 LEU HA H 1 4.015 0.000 . . . . . . . 855 L HA . 53779 1 1165 . 1 . 1 97 97 LEU HB2 H 1 1.404 0.000 . . . . . . . 855 L HB2 . 53779 1 1166 . 1 . 1 97 97 LEU HB3 H 1 1.756 0.000 . . . . . . . 855 L HB3 . 53779 1 1167 . 1 . 1 97 97 LEU HG H 1 1.736 0.000 . . . . . . . 855 L HG . 53779 1 1168 . 1 . 1 97 97 LEU HD11 H 1 0.791 0.000 . . . . . . . 855 L QD1 . 53779 1 1169 . 1 . 1 97 97 LEU HD12 H 1 0.791 0.000 . . . . . . . 855 L QD1 . 53779 1 1170 . 1 . 1 97 97 LEU HD13 H 1 0.791 0.000 . . . . . . . 855 L QD1 . 53779 1 1171 . 1 . 1 97 97 LEU HD21 H 1 0.802 0.000 . . . . . . . 855 L QD2 . 53779 1 1172 . 1 . 1 97 97 LEU HD22 H 1 0.802 0.000 . . . . . . . 855 L QD2 . 53779 1 1173 . 1 . 1 97 97 LEU HD23 H 1 0.802 0.000 . . . . . . . 855 L QD2 . 53779 1 1174 . 1 . 1 97 97 LEU C C 13 177.950 0.000 . . . . . . . 855 L C . 53779 1 1175 . 1 . 1 97 97 LEU CA C 13 57.174 0.000 . . . . . . . 855 L CA . 53779 1 1176 . 1 . 1 97 97 LEU CB C 13 42.426 0.000 . . . . . . . 855 L CB . 53779 1 1177 . 1 . 1 97 97 LEU CG C 13 26.617 0.000 . . . . . . . 855 L CG . 53779 1 1178 . 1 . 1 97 97 LEU CD1 C 13 23.508 0.000 . . . . . . . 855 L CD1 . 53779 1 1179 . 1 . 1 97 97 LEU CD2 C 13 24.788 0.000 . . . . . . . 855 L CD2 . 53779 1 1180 . 1 . 1 97 97 LEU N N 15 121.049 0.000 . . . . . . . 855 L N . 53779 1 1181 . 1 . 1 98 98 ALA H H 1 8.087 0.000 . . . . . . . 856 A H . 53779 1 1182 . 1 . 1 98 98 ALA HA H 1 3.997 0.000 . . . . . . . 856 A HA . 53779 1 1183 . 1 . 1 98 98 ALA HB1 H 1 1.172 0.000 . . . . . . . 856 A HB# . 53779 1 1184 . 1 . 1 98 98 ALA HB2 H 1 1.172 0.000 . . . . . . . 856 A HB# . 53779 1 1185 . 1 . 1 98 98 ALA HB3 H 1 1.172 0.000 . . . . . . . 856 A HB# . 53779 1 1186 . 1 . 1 98 98 ALA C C 13 179.362 0.000 . . . . . . . 856 A C . 53779 1 1187 . 1 . 1 98 98 ALA CA C 13 53.044 0.000 . . . . . . . 856 A CA . 53779 1 1188 . 1 . 1 98 98 ALA CB C 13 19.340 0.000 . . . . . . . 856 A CB . 53779 1 1189 . 1 . 1 98 98 ALA N N 15 119.264 0.000 . . . . . . . 856 A N . 53779 1 1190 . 1 . 1 99 99 GLY H H 1 7.800 0.000 . . . . . . . 857 G H . 53779 1 1191 . 1 . 1 99 99 GLY HA2 H 1 3.805 0.000 . . . . . . . 857 G HA2 . 53779 1 1192 . 1 . 1 99 99 GLY HA3 H 1 3.832 0.000 . . . . . . . 857 G HA3 . 53779 1 1193 . 1 . 1 99 99 GLY C C 13 174.958 0.000 . . . . . . . 857 G C . 53779 1 1194 . 1 . 1 99 99 GLY CA C 13 47.141 0.000 . . . . . . . 857 G CA . 53779 1 1195 . 1 . 1 99 99 GLY N N 15 108.034 0.000 . . . . . . . 857 G N . 53779 1 1196 . 1 . 1 100 100 ASP H H 1 8.682 0.000 . . . . . . . 858 D H . 53779 1 1197 . 1 . 1 100 100 ASP HA H 1 4.453 0.000 . . . . . . . 858 D HA . 53779 1 1198 . 1 . 1 100 100 ASP HB2 H 1 2.751 0.010 . . . . . . . 858 D HB2 . 53779 1 1199 . 1 . 1 100 100 ASP HB3 H 1 2.759 0.000 . . . . . . . 858 D HB3 . 53779 1 1200 . 1 . 1 100 100 ASP C C 13 175.997 0.000 . . . . . . . 858 D C . 53779 1 1201 . 1 . 1 100 100 ASP CA C 13 54.934 0.000 . . . . . . . 858 D CA . 53779 1 1202 . 1 . 1 100 100 ASP CB C 13 40.556 0.000 . . . . . . . 858 D CB . 53779 1 1203 . 1 . 1 100 100 ASP N N 15 120.140 0.000 . . . . . . . 858 D N . 53779 1 1204 . 1 . 1 101 101 LYS H H 1 7.496 0.000 . . . . . . . 859 K H . 53779 1 1205 . 1 . 1 101 101 LYS HA H 1 4.254 0.000 . . . . . . . 859 K HA . 53779 1 1206 . 1 . 1 101 101 LYS HB2 H 1 1.134 0.000 . . . . . . . 859 K HB2 . 53779 1 1207 . 1 . 1 101 101 LYS HB3 H 1 1.897 0.000 . . . . . . . 859 K HB3 . 53779 1 1208 . 1 . 1 101 101 LYS HG2 H 1 1.327 0.000 . . . . . . . 859 K HG2 . 53779 1 1209 . 1 . 1 101 101 LYS HG3 H 1 1.471 0.010 . . . . . . . 859 K HG3 . 53779 1 1210 . 1 . 1 101 101 LYS HD2 H 1 1.258 0.000 . . . . . . . 859 K HD2 . 53779 1 1211 . 1 . 1 101 101 LYS HD3 H 1 1.628 0.010 . . . . . . . 859 K HD3 . 53779 1 1212 . 1 . 1 101 101 LYS HE2 H 1 2.793 0.000 . . . . . . . 859 K HE2 . 53779 1 1213 . 1 . 1 101 101 LYS HE3 H 1 2.804 0.010 . . . . . . . 859 K HE3 . 53779 1 1214 . 1 . 1 101 101 LYS CA C 13 56.278 0.000 . . . . . . . 859 K CA . 53779 1 1215 . 1 . 1 101 101 LYS CB C 13 33.576 0.000 . . . . . . . 859 K CB . 53779 1 1216 . 1 . 1 101 101 LYS CG C 13 23.986 0.000 . . . . . . . 859 K CG . 53779 1 1217 . 1 . 1 101 101 LYS CD C 13 28.858 0.000 . . . . . . . 859 K CD . 53779 1 1218 . 1 . 1 101 101 LYS CE C 13 40.615 0.000 . . . . . . . 859 K CE . 53779 1 1219 . 1 . 1 101 101 LYS N N 15 117.752 0.000 . . . . . . . 859 K N . 53779 1 1220 . 1 . 1 102 102 ASN H H 1 6.689 0.000 . . . . . . . 860 N H . 53779 1 1221 . 1 . 1 102 102 ASN HA H 1 4.987 0.000 . . . . . . . 860 N HA . 53779 1 1222 . 1 . 1 102 102 ASN HB2 H 1 1.780 0.010 . . . . . . . 860 N HB2 . 53779 1 1223 . 1 . 1 102 102 ASN HB3 H 1 2.929 0.000 . . . . . . . 860 N HB3 . 53779 1 1224 . 1 . 1 102 102 ASN HD21 H 1 6.695 0.010 . . . . . . . 860 N HD21 . 53779 1 1225 . 1 . 1 102 102 ASN HD22 H 1 7.234 0.010 . . . . . . . 860 N HD22 . 53779 1 1226 . 1 . 1 102 102 ASN C C 13 171.759 0.000 . . . . . . . 860 N C . 53779 1 1227 . 1 . 1 102 102 ASN CA C 13 54.866 0.000 . . . . . . . 860 N CA . 53779 1 1228 . 1 . 1 102 102 ASN CB C 13 41.018 0.000 . . . . . . . 860 N CB . 53779 1 1229 . 1 . 1 102 102 ASN N N 15 112.401 0.000 . . . . . . . 860 N N . 53779 1 1230 . 1 . 1 102 102 ASN ND2 N 15 112.355 0.000 . . . . . . . 860 N ND2 . 53779 1 1231 . 1 . 1 103 103 PHE H H 1 8.783 0.000 . . . . . . . 861 F H . 53779 1 1232 . 1 . 1 103 103 PHE HA H 1 4.985 0.000 . . . . . . . 861 F HA . 53779 1 1233 . 1 . 1 103 103 PHE HB2 H 1 1.777 0.000 . . . . . . . 861 F HB2 . 53779 1 1234 . 1 . 1 103 103 PHE HB3 H 1 2.931 0.000 . . . . . . . 861 F HB3 . 53779 1 1235 . 1 . 1 103 103 PHE HD1 H 1 6.337 0.000 . . . . . . . 861 F HD1 . 53779 1 1236 . 1 . 1 103 103 PHE HD2 H 1 6.339 0.000 . . . . . . . 861 F HD2 . 53779 1 1237 . 1 . 1 103 103 PHE HE1 H 1 6.335 0.010 . . . . . . . 861 F HE1 . 53779 1 1238 . 1 . 1 103 103 PHE HE2 H 1 7.216 0.010 . . . . . . . 861 F HE2 . 53779 1 1239 . 1 . 1 103 103 PHE HZ H 1 6.335 0.010 . . . . . . . 861 F HZ . 53779 1 1240 . 1 . 1 103 103 PHE C C 13 173.908 0.000 . . . . . . . 861 F C . 53779 1 1241 . 1 . 1 103 103 PHE CA C 13 54.914 0.000 . . . . . . . 861 F CA . 53779 1 1242 . 1 . 1 103 103 PHE CB C 13 40.999 0.000 . . . . . . . 861 F CB . 53779 1 1243 . 1 . 1 103 103 PHE CD1 C 13 131.959 0.000 . . . . . . . 861 F CD1 . 53779 1 1244 . 1 . 1 103 103 PHE CE1 C 13 131.873 0.000 . . . . . . . 861 F CE1 . 53779 1 1245 . 1 . 1 103 103 PHE CZ C 13 131.941 0.000 . . . . . . . 861 F CZ . 53779 1 1246 . 1 . 1 103 103 PHE N N 15 116.021 0.000 . . . . . . . 861 F N . 53779 1 1247 . 1 . 1 104 104 ILE H H 1 8.782 0.000 . . . . . . . 862 I H . 53779 1 1248 . 1 . 1 104 104 ILE HA H 1 4.917 0.000 . . . . . . . 862 I HA . 53779 1 1249 . 1 . 1 104 104 ILE HB H 1 1.594 0.000 . . . . . . . 862 I HB . 53779 1 1250 . 1 . 1 104 104 ILE HG12 H 1 1.275 0.000 . . . . . . . 862 I HG12 . 53779 1 1251 . 1 . 1 104 104 ILE HG13 H 1 1.278 0.010 . . . . . . . 862 I HG13 . 53779 1 1252 . 1 . 1 104 104 ILE HG21 H 1 0.775 0.000 . . . . . . . 862 I QG2 . 53779 1 1253 . 1 . 1 104 104 ILE HG22 H 1 0.775 0.000 . . . . . . . 862 I QG2 . 53779 1 1254 . 1 . 1 104 104 ILE HG23 H 1 0.775 0.000 . . . . . . . 862 I QG2 . 53779 1 1255 . 1 . 1 104 104 ILE HD11 H 1 0.650 0.000 . . . . . . . 862 I QD1 . 53779 1 1256 . 1 . 1 104 104 ILE HD12 H 1 0.650 0.000 . . . . . . . 862 I QD1 . 53779 1 1257 . 1 . 1 104 104 ILE HD13 H 1 0.650 0.000 . . . . . . . 862 I QD1 . 53779 1 1258 . 1 . 1 104 104 ILE C C 13 173.916 0.000 . . . . . . . 862 I C . 53779 1 1259 . 1 . 1 104 104 ILE CA C 13 59.203 0.000 . . . . . . . 862 I CA . 53779 1 1260 . 1 . 1 104 104 ILE CB C 13 43.430 0.000 . . . . . . . 862 I CB . 53779 1 1261 . 1 . 1 104 104 ILE CG1 C 13 28.796 0.000 . . . . . . . 862 I CG1 . 53779 1 1262 . 1 . 1 104 104 ILE CG2 C 13 17.616 0.000 . . . . . . . 862 I CG2 . 53779 1 1263 . 1 . 1 104 104 ILE CD1 C 13 14.864 0.000 . . . . . . . 862 I CD1 . 53779 1 1264 . 1 . 1 104 104 ILE N N 15 116.001 0.000 . . . . . . . 862 I N . 53779 1 1265 . 1 . 1 105 105 THR H H 1 8.874 0.000 . . . . . . . 863 T H . 53779 1 1266 . 1 . 1 105 105 THR HA H 1 5.273 0.000 . . . . . . . 863 T HA . 53779 1 1267 . 1 . 1 105 105 THR HB H 1 4.730 0.000 . . . . . . . 863 T HB . 53779 1 1268 . 1 . 1 105 105 THR HG21 H 1 1.283 0.000 . . . . . . . 863 T QG2 . 53779 1 1269 . 1 . 1 105 105 THR HG22 H 1 1.283 0.000 . . . . . . . 863 T QG2 . 53779 1 1270 . 1 . 1 105 105 THR HG23 H 1 1.283 0.000 . . . . . . . 863 T QG2 . 53779 1 1271 . 1 . 1 105 105 THR C C 13 175.597 0.000 . . . . . . . 863 T C . 53779 1 1272 . 1 . 1 105 105 THR CA C 13 60.208 0.000 . . . . . . . 863 T CA . 53779 1 1273 . 1 . 1 105 105 THR CB C 13 71.610 0.000 . . . . . . . 863 T CB . 53779 1 1274 . 1 . 1 105 105 THR CG2 C 13 21.993 0.000 . . . . . . . 863 T CG2 . 53779 1 1275 . 1 . 1 105 105 THR N N 15 115.981 0.000 . . . . . . . 863 T N . 53779 1 1276 . 1 . 1 106 106 ALA H H 1 8.884 0.000 . . . . . . . 864 A H . 53779 1 1277 . 1 . 1 106 106 ALA HA H 1 3.911 0.000 . . . . . . . 864 A HA . 53779 1 1278 . 1 . 1 106 106 ALA HB1 H 1 1.512 0.000 . . . . . . . 864 A HB# . 53779 1 1279 . 1 . 1 106 106 ALA HB2 H 1 1.512 0.000 . . . . . . . 864 A HB# . 53779 1 1280 . 1 . 1 106 106 ALA HB3 H 1 1.512 0.000 . . . . . . . 864 A HB# . 53779 1 1281 . 1 . 1 106 106 ALA C C 13 179.339 0.000 . . . . . . . 864 A C . 53779 1 1282 . 1 . 1 106 106 ALA CA C 13 55.743 0.000 . . . . . . . 864 A CA . 53779 1 1283 . 1 . 1 106 106 ALA CB C 13 18.028 0.000 . . . . . . . 864 A CB . 53779 1 1284 . 1 . 1 106 106 ALA N N 15 124.043 0.000 . . . . . . . 864 A N . 53779 1 1285 . 1 . 1 107 107 GLU H H 1 8.547 0.000 . . . . . . . 865 E H . 53779 1 1286 . 1 . 1 107 107 GLU HA H 1 3.937 0.000 . . . . . . . 865 E HA . 53779 1 1287 . 1 . 1 107 107 GLU HB2 H 1 1.953 0.000 . . . . . . . 865 E HB2 . 53779 1 1288 . 1 . 1 107 107 GLU HB3 H 1 1.952 0.010 . . . . . . . 865 E HB3 . 53779 1 1289 . 1 . 1 107 107 GLU HG2 H 1 2.318 0.000 . . . . . . . 865 E HG2 . 53779 1 1290 . 1 . 1 107 107 GLU HG3 H 1 2.681 0.000 . . . . . . . 865 E HG3 . 53779 1 1291 . 1 . 1 107 107 GLU C C 13 179.274 0.000 . . . . . . . 865 E C . 53779 1 1292 . 1 . 1 107 107 GLU CA C 13 59.800 0.000 . . . . . . . 865 E CA . 53779 1 1293 . 1 . 1 107 107 GLU CB C 13 29.368 0.000 . . . . . . . 865 E CB . 53779 1 1294 . 1 . 1 107 107 GLU CG C 13 36.825 0.000 . . . . . . . 865 E CG . 53779 1 1295 . 1 . 1 107 107 GLU N N 15 115.838 0.000 . . . . . . . 865 E N . 53779 1 1296 . 1 . 1 108 108 GLU H H 1 7.752 0.000 . . . . . . . 866 E H . 53779 1 1297 . 1 . 1 108 108 GLU HA H 1 3.894 0.000 . . . . . . . 866 E HA . 53779 1 1298 . 1 . 1 108 108 GLU HB2 H 1 2.351 0.010 . . . . . . . 866 E HB2 . 53779 1 1299 . 1 . 1 108 108 GLU HB3 H 1 2.370 0.000 . . . . . . . 866 E HB3 . 53779 1 1300 . 1 . 1 108 108 GLU HG2 H 1 2.308 0.000 . . . . . . . 866 E HG2 . 53779 1 1301 . 1 . 1 108 108 GLU HG3 H 1 2.311 0.010 . . . . . . . 866 E HG3 . 53779 1 1302 . 1 . 1 108 108 GLU C C 13 179.023 0.000 . . . . . . . 866 E C . 53779 1 1303 . 1 . 1 108 108 GLU CA C 13 59.678 0.000 . . . . . . . 866 E CA . 53779 1 1304 . 1 . 1 108 108 GLU CB C 13 29.933 0.000 . . . . . . . 866 E CB . 53779 1 1305 . 1 . 1 108 108 GLU CG C 13 37.720 0.000 . . . . . . . 866 E CG . 53779 1 1306 . 1 . 1 108 108 GLU N N 15 119.911 0.000 . . . . . . . 866 E N . 53779 1 1307 . 1 . 1 109 109 LEU H H 1 7.766 0.000 . . . . . . . 867 L H . 53779 1 1308 . 1 . 1 109 109 LEU HA H 1 3.895 0.000 . . . . . . . 867 L HA . 53779 1 1309 . 1 . 1 109 109 LEU HB2 H 1 1.202 0.000 . . . . . . . 867 L HB2 . 53779 1 1310 . 1 . 1 109 109 LEU HB3 H 1 2.023 0.000 . . . . . . . 867 L HB3 . 53779 1 1311 . 1 . 1 109 109 LEU HG H 1 1.626 0.000 . . . . . . . 867 L HG . 53779 1 1312 . 1 . 1 109 109 LEU HD11 H 1 0.746 0.000 . . . . . . . 867 L QD1 . 53779 1 1313 . 1 . 1 109 109 LEU HD12 H 1 0.746 0.000 . . . . . . . 867 L QD1 . 53779 1 1314 . 1 . 1 109 109 LEU HD13 H 1 0.746 0.000 . . . . . . . 867 L QD1 . 53779 1 1315 . 1 . 1 109 109 LEU HD21 H 1 0.674 0.000 . . . . . . . 867 L QD2 . 53779 1 1316 . 1 . 1 109 109 LEU HD22 H 1 0.674 0.000 . . . . . . . 867 L QD2 . 53779 1 1317 . 1 . 1 109 109 LEU HD23 H 1 0.674 0.000 . . . . . . . 867 L QD2 . 53779 1 1318 . 1 . 1 109 109 LEU C C 13 178.312 0.000 . . . . . . . 867 L C . 53779 1 1319 . 1 . 1 109 109 LEU CA C 13 58.789 0.000 . . . . . . . 867 L CA . 53779 1 1320 . 1 . 1 109 109 LEU CB C 13 42.339 0.000 . . . . . . . 867 L CB . 53779 1 1321 . 1 . 1 109 109 LEU CG C 13 27.167 0.000 . . . . . . . 867 L CG . 53779 1 1322 . 1 . 1 109 109 LEU CD1 C 13 24.760 0.000 . . . . . . . 867 L CD1 . 53779 1 1323 . 1 . 1 109 109 LEU CD2 C 13 27.565 0.000 . . . . . . . 867 L CD2 . 53779 1 1324 . 1 . 1 109 109 LEU N N 15 118.858 0.000 . . . . . . . 867 L N . 53779 1 1325 . 1 . 1 110 110 ARG H H 1 8.246 0.000 . . . . . . . 868 R H . 53779 1 1326 . 1 . 1 110 110 ARG HA H 1 3.941 0.000 . . . . . . . 868 R HA . 53779 1 1327 . 1 . 1 110 110 ARG HB2 H 1 1.451 0.000 . . . . . . . 868 R HB2 . 53779 1 1328 . 1 . 1 110 110 ARG HB3 H 1 1.792 0.010 . . . . . . . 868 R HB3 . 53779 1 1329 . 1 . 1 110 110 ARG HG2 H 1 1.584 0.000 . . . . . . . 868 R HG2 . 53779 1 1330 . 1 . 1 110 110 ARG HG3 H 1 1.609 0.010 . . . . . . . 868 R HG3 . 53779 1 1331 . 1 . 1 110 110 ARG HD2 H 1 3.049 0.010 . . . . . . . 868 R HD2 . 53779 1 1332 . 1 . 1 110 110 ARG HD3 H 1 3.087 0.000 . . . . . . . 868 R HD3 . 53779 1 1333 . 1 . 1 110 110 ARG HE H 1 7.722 0.000 . . . . . . . 868 R HE . 53779 1 1334 . 1 . 1 110 110 ARG C C 13 178.067 0.000 . . . . . . . 868 R C . 53779 1 1335 . 1 . 1 110 110 ARG CA C 13 58.758 0.000 . . . . . . . 868 R CA . 53779 1 1336 . 1 . 1 110 110 ARG CB C 13 29.995 0.000 . . . . . . . 868 R CB . 53779 1 1337 . 1 . 1 110 110 ARG CG C 13 27.202 0.000 . . . . . . . 868 R CG . 53779 1 1338 . 1 . 1 110 110 ARG CD C 13 43.385 0.000 . . . . . . . 868 R CD . 53779 1 1339 . 1 . 1 110 110 ARG N N 15 114.660 0.000 . . . . . . . 868 R N . 53779 1 1340 . 1 . 1 111 111 ARG H H 1 7.705 0.000 . . . . . . . 869 R H . 53779 1 1341 . 1 . 1 111 111 ARG HA H 1 4.226 0.000 . . . . . . . 869 R HA . 53779 1 1342 . 1 . 1 111 111 ARG HB2 H 1 1.986 0.010 . . . . . . . 869 R HB2 . 53779 1 1343 . 1 . 1 111 111 ARG HB3 H 1 1.990 0.000 . . . . . . . 869 R HB3 . 53779 1 1344 . 1 . 1 111 111 ARG HG2 H 1 1.257 0.010 . . . . . . . 869 R HG2 . 53779 1 1345 . 1 . 1 111 111 ARG HG3 H 1 1.748 0.010 . . . . . . . 869 R HG3 . 53779 1 1346 . 1 . 1 111 111 ARG HD2 H 1 3.215 0.000 . . . . . . . 869 R HD2 . 53779 1 1347 . 1 . 1 111 111 ARG HD3 H 1 3.227 0.000 . . . . . . . 869 R HD3 . 53779 1 1348 . 1 . 1 111 111 ARG HE H 1 7.678 0.000 . . . . . . . 869 R HE . 53779 1 1349 . 1 . 1 111 111 ARG C C 13 176.274 0.010 . . . . . . . 869 R C . 53779 1 1350 . 1 . 1 111 111 ARG CA C 13 58.465 0.000 . . . . . . . 869 R CA . 53779 1 1351 . 1 . 1 111 111 ARG CB C 13 31.006 0.000 . . . . . . . 869 R CB . 53779 1 1352 . 1 . 1 111 111 ARG CG C 13 27.494 0.000 . . . . . . . 869 R CG . 53779 1 1353 . 1 . 1 111 111 ARG CD C 13 43.562 0.000 . . . . . . . 869 R CD . 53779 1 1354 . 1 . 1 111 111 ARG N N 15 117.956 0.000 . . . . . . . 869 R N . 53779 1 1355 . 1 . 1 112 112 GLU H H 1 7.522 0.000 . . . . . . . 870 E H . 53779 1 1356 . 1 . 1 112 112 GLU HA H 1 4.426 0.000 . . . . . . . 870 E HA . 53779 1 1357 . 1 . 1 112 112 GLU HB2 H 1 1.747 0.000 . . . . . . . 870 E HB2 . 53779 1 1358 . 1 . 1 112 112 GLU HB3 H 1 2.208 0.010 . . . . . . . 870 E HB3 . 53779 1 1359 . 1 . 1 112 112 GLU HG2 H 1 2.387 0.000 . . . . . . . 870 E HG2 . 53779 1 1360 . 1 . 1 112 112 GLU HG3 H 1 2.466 0.000 . . . . . . . 870 E HG3 . 53779 1 1361 . 1 . 1 112 112 GLU C C 13 176.471 0.000 . . . . . . . 870 E C . 53779 1 1362 . 1 . 1 112 112 GLU CA C 13 56.880 0.000 . . . . . . . 870 E CA . 53779 1 1363 . 1 . 1 112 112 GLU CB C 13 32.043 0.000 . . . . . . . 870 E CB . 53779 1 1364 . 1 . 1 112 112 GLU CG C 13 35.322 0.000 . . . . . . . 870 E CG . 53779 1 1365 . 1 . 1 112 112 GLU N N 15 115.323 0.000 . . . . . . . 870 E N . 53779 1 1366 . 1 . 1 113 113 LEU H H 1 7.945 0.000 . . . . . . . 871 L H . 53779 1 1367 . 1 . 1 113 113 LEU HA H 1 4.935 0.000 . . . . . . . 871 L HA . 53779 1 1368 . 1 . 1 113 113 LEU HB2 H 1 1.374 0.000 . . . . . . . 871 L HB2 . 53779 1 1369 . 1 . 1 113 113 LEU HB3 H 1 1.753 0.000 . . . . . . . 871 L HB3 . 53779 1 1370 . 1 . 1 113 113 LEU HG H 1 0.892 0.000 . . . . . . . 871 L HG . 53779 1 1371 . 1 . 1 113 113 LEU HD11 H 1 1.235 0.000 . . . . . . . 871 L QD1 . 53779 1 1372 . 1 . 1 113 113 LEU HD12 H 1 1.235 0.000 . . . . . . . 871 L QD1 . 53779 1 1373 . 1 . 1 113 113 LEU HD13 H 1 1.235 0.000 . . . . . . . 871 L QD1 . 53779 1 1374 . 1 . 1 113 113 LEU HD21 H 1 0.926 0.000 . . . . . . . 871 L QD2 . 53779 1 1375 . 1 . 1 113 113 LEU HD22 H 1 0.926 0.000 . . . . . . . 871 L QD2 . 53779 1 1376 . 1 . 1 113 113 LEU HD23 H 1 0.926 0.000 . . . . . . . 871 L QD2 . 53779 1 1377 . 1 . 1 113 113 LEU C C 13 174.059 0.000 . . . . . . . 871 L C . 53779 1 1378 . 1 . 1 113 113 LEU CA C 13 52.248 0.000 . . . . . . . 871 L CA . 53779 1 1379 . 1 . 1 113 113 LEU CB C 13 42.775 0.000 . . . . . . . 871 L CB . 53779 1 1380 . 1 . 1 113 113 LEU CG C 13 26.936 0.000 . . . . . . . 871 L CG . 53779 1 1381 . 1 . 1 113 113 LEU CD1 C 13 22.434 0.000 . . . . . . . 871 L CD1 . 53779 1 1382 . 1 . 1 113 113 LEU CD2 C 13 22.988 0.000 . . . . . . . 871 L CD2 . 53779 1 1383 . 1 . 1 113 113 LEU N N 15 119.287 0.000 . . . . . . . 871 L N . 53779 1 1384 . 1 . 1 114 114 PRO HA H 1 4.749 0.000 . . . . . . . 872 P HA . 53779 1 1385 . 1 . 1 114 114 PRO HB2 H 1 2.543 0.010 . . . . . . . 872 P HB2 . 53779 1 1386 . 1 . 1 114 114 PRO HB3 H 1 2.546 0.000 . . . . . . . 872 P HB3 . 53779 1 1387 . 1 . 1 114 114 PRO HG2 H 1 2.106 0.000 . . . . . . . 872 P HG2 . 53779 1 1388 . 1 . 1 114 114 PRO HG3 H 1 2.116 0.000 . . . . . . . 872 P HG3 . 53779 1 1389 . 1 . 1 114 114 PRO HD2 H 1 3.543 0.000 . . . . . . . 872 P HD2 . 53779 1 1390 . 1 . 1 114 114 PRO HD3 H 1 3.906 0.000 . . . . . . . 872 P HD3 . 53779 1 1391 . 1 . 1 114 114 PRO CA C 13 61.551 0.000 . . . . . . . 872 P CA . 53779 1 1392 . 1 . 1 114 114 PRO CB C 13 31.176 0.000 . . . . . . . 872 P CB . 53779 1 1393 . 1 . 1 114 114 PRO CG C 13 28.404 0.000 . . . . . . . 872 P CG . 53779 1 1394 . 1 . 1 114 114 PRO CD C 13 50.379 0.000 . . . . . . . 872 P CD . 53779 1 1395 . 1 . 1 115 115 PRO HA H 1 4.301 0.000 . . . . . . . 873 P HA . 53779 1 1396 . 1 . 1 115 115 PRO HB2 H 1 2.104 0.000 . . . . . . . 873 P HB2 . 53779 1 1397 . 1 . 1 115 115 PRO HB3 H 1 2.477 0.000 . . . . . . . 873 P HB3 . 53779 1 1398 . 1 . 1 115 115 PRO HG2 H 1 2.182 0.000 . . . . . . . 873 P HG2 . 53779 1 1399 . 1 . 1 115 115 PRO HG3 H 1 2.197 0.000 . . . . . . . 873 P HG3 . 53779 1 1400 . 1 . 1 115 115 PRO HD2 H 1 3.854 0.000 . . . . . . . 873 P HD2 . 53779 1 1401 . 1 . 1 115 115 PRO HD3 H 1 3.897 0.000 . . . . . . . 873 P HD3 . 53779 1 1402 . 1 . 1 115 115 PRO C C 13 178.264 0.000 . . . . . . . 873 P C . 53779 1 1403 . 1 . 1 115 115 PRO CA C 13 66.508 0.000 . . . . . . . 873 P CA . 53779 1 1404 . 1 . 1 115 115 PRO CB C 13 32.257 0.000 . . . . . . . 873 P CB . 53779 1 1405 . 1 . 1 115 115 PRO CG C 13 27.643 0.000 . . . . . . . 873 P CG . 53779 1 1406 . 1 . 1 115 115 PRO CD C 13 50.393 0.000 . . . . . . . 873 P CD . 53779 1 1407 . 1 . 1 116 116 ASP H H 1 8.809 0.000 . . . . . . . 874 D H . 53779 1 1408 . 1 . 1 116 116 ASP HA H 1 4.375 0.000 . . . . . . . 874 D HA . 53779 1 1409 . 1 . 1 116 116 ASP HB2 H 1 2.637 0.000 . . . . . . . 874 D HB2 . 53779 1 1410 . 1 . 1 116 116 ASP HB3 H 1 2.660 0.010 . . . . . . . 874 D HB3 . 53779 1 1411 . 1 . 1 116 116 ASP C C 13 179.251 0.000 . . . . . . . 874 D C . 53779 1 1412 . 1 . 1 116 116 ASP CA C 13 56.904 0.000 . . . . . . . 874 D CA . 53779 1 1413 . 1 . 1 116 116 ASP CB C 13 39.378 0.000 . . . . . . . 874 D CB . 53779 1 1414 . 1 . 1 116 116 ASP N N 15 114.887 0.000 . . . . . . . 874 D N . 53779 1 1415 . 1 . 1 117 117 GLN H H 1 7.474 0.000 . . . . . . . 875 Q H . 53779 1 1416 . 1 . 1 117 117 GLN HA H 1 3.862 0.000 . . . . . . . 875 Q HA . 53779 1 1417 . 1 . 1 117 117 GLN HB2 H 1 2.074 0.010 . . . . . . . 875 Q HB2 . 53779 1 1418 . 1 . 1 117 117 GLN HB3 H 1 2.090 0.010 . . . . . . . 875 Q HB3 . 53779 1 1419 . 1 . 1 117 117 GLN HG2 H 1 1.767 0.010 . . . . . . . 875 Q HG2 . 53779 1 1420 . 1 . 1 117 117 GLN HG3 H 1 2.467 0.000 . . . . . . . 875 Q HG3 . 53779 1 1421 . 1 . 1 117 117 GLN HE21 H 1 6.918 0.010 . . . . . . . 875 Q HE21 . 53779 1 1422 . 1 . 1 117 117 GLN HE22 H 1 7.500 0.010 . . . . . . . 875 Q HE22 . 53779 1 1423 . 1 . 1 117 117 GLN C C 13 178.335 0.000 . . . . . . . 875 Q C . 53779 1 1424 . 1 . 1 117 117 GLN CA C 13 58.704 0.000 . . . . . . . 875 Q CA . 53779 1 1425 . 1 . 1 117 117 GLN CB C 13 29.160 0.000 . . . . . . . 875 Q CB . 53779 1 1426 . 1 . 1 117 117 GLN CG C 13 33.978 0.000 . . . . . . . 875 Q CG . 53779 1 1427 . 1 . 1 117 117 GLN N N 15 121.410 0.000 . . . . . . . 875 Q N . 53779 1 1428 . 1 . 1 117 117 GLN NE2 N 15 111.798 0.000 . . . . . . . 875 Q NE2 . 53779 1 1429 . 1 . 1 118 118 ALA H H 1 8.881 0.000 . . . . . . . 876 A H . 53779 1 1430 . 1 . 1 118 118 ALA HA H 1 3.824 0.000 . . . . . . . 876 A HA . 53779 1 1431 . 1 . 1 118 118 ALA HB1 H 1 1.358 0.000 . . . . . . . 876 A HB# . 53779 1 1432 . 1 . 1 118 118 ALA HB2 H 1 1.358 0.000 . . . . . . . 876 A HB# . 53779 1 1433 . 1 . 1 118 118 ALA HB3 H 1 1.358 0.000 . . . . . . . 876 A HB# . 53779 1 1434 . 1 . 1 118 118 ALA C C 13 179.158 0.000 . . . . . . . 876 A C . 53779 1 1435 . 1 . 1 118 118 ALA CA C 13 56.209 0.000 . . . . . . . 876 A CA . 53779 1 1436 . 1 . 1 118 118 ALA CB C 13 18.035 0.000 . . . . . . . 876 A CB . 53779 1 1437 . 1 . 1 118 118 ALA N N 15 122.559 0.000 . . . . . . . 876 A N . 53779 1 1438 . 1 . 1 119 119 GLU H H 1 8.204 0.000 . . . . . . . 877 E H . 53779 1 1439 . 1 . 1 119 119 GLU HA H 1 4.067 0.000 . . . . . . . 877 E HA . 53779 1 1440 . 1 . 1 119 119 GLU HB2 H 1 0.819 0.010 . . . . . . . 877 E HB2 . 53779 1 1441 . 1 . 1 119 119 GLU HB3 H 1 2.189 0.000 . . . . . . . 877 E HB3 . 53779 1 1442 . 1 . 1 119 119 GLU HG2 H 1 2.477 0.010 . . . . . . . 877 E HG2 . 53779 1 1443 . 1 . 1 119 119 GLU HG3 H 1 2.610 0.000 . . . . . . . 877 E HG3 . 53779 1 1444 . 1 . 1 119 119 GLU C C 13 179.326 0.000 . . . . . . . 877 E C . 53779 1 1445 . 1 . 1 119 119 GLU CA C 13 58.977 0.000 . . . . . . . 877 E CA . 53779 1 1446 . 1 . 1 119 119 GLU CB C 13 32.054 0.000 . . . . . . . 877 E CB . 53779 1 1447 . 1 . 1 119 119 GLU CG C 13 35.433 0.000 . . . . . . . 877 E CG . 53779 1 1448 . 1 . 1 119 119 GLU N N 15 114.035 0.000 . . . . . . . 877 E N . 53779 1 1449 . 1 . 1 120 120 TYR H H 1 7.693 0.000 . . . . . . . 878 Y H . 53779 1 1450 . 1 . 1 120 120 TYR HA H 1 4.148 0.000 . . . . . . . 878 Y HA . 53779 1 1451 . 1 . 1 120 120 TYR HB2 H 1 3.321 0.010 . . . . . . . 878 Y HB2 . 53779 1 1452 . 1 . 1 120 120 TYR HB3 H 1 3.418 0.000 . . . . . . . 878 Y HB3 . 53779 1 1453 . 1 . 1 120 120 TYR HD1 H 1 6.844 0.010 . . . . . . . 878 Y HD1 . 53779 1 1454 . 1 . 1 120 120 TYR HD2 H 1 7.284 0.000 . . . . . . . 878 Y HD2 . 53779 1 1455 . 1 . 1 120 120 TYR HE1 H 1 6.574 0.010 . . . . . . . 878 Y HE1 . 53779 1 1456 . 1 . 1 120 120 TYR HE2 H 1 7.094 0.010 . . . . . . . 878 Y HE2 . 53779 1 1457 . 1 . 1 120 120 TYR C C 13 177.818 0.000 . . . . . . . 878 Y C . 53779 1 1458 . 1 . 1 120 120 TYR CA C 13 60.955 0.000 . . . . . . . 878 Y CA . 53779 1 1459 . 1 . 1 120 120 TYR CB C 13 38.738 0.000 . . . . . . . 878 Y CB . 53779 1 1460 . 1 . 1 120 120 TYR CD1 C 13 133.733 0.000 . . . . . . . 878 Y CD1 . 53779 1 1461 . 1 . 1 120 120 TYR CE1 C 13 118.890 0.010 . . . . . . . 878 Y CE1 . 53779 1 1462 . 1 . 1 120 120 TYR N N 15 120.641 0.000 . . . . . . . 878 Y N . 53779 1 1463 . 1 . 1 121 121 CYS H H 1 8.064 0.000 . . . . . . . 879 C H . 53779 1 1464 . 1 . 1 121 121 CYS HA H 1 4.160 0.000 . . . . . . . 879 C HA . 53779 1 1465 . 1 . 1 121 121 CYS HB2 H 1 2.578 0.000 . . . . . . . 879 C HB2 . 53779 1 1466 . 1 . 1 121 121 CYS HB3 H 1 3.109 0.000 . . . . . . . 879 C HB3 . 53779 1 1467 . 1 . 1 121 121 CYS HG H 1 4.773 0.000 . . . . . . . 879 C HG . 53779 1 1468 . 1 . 1 121 121 CYS C C 13 176.848 0.000 . . . . . . . 879 C C . 53779 1 1469 . 1 . 1 121 121 CYS CA C 13 64.201 0.000 . . . . . . . 879 C CA . 53779 1 1470 . 1 . 1 121 121 CYS CB C 13 27.591 0.000 . . . . . . . 879 C CB . 53779 1 1471 . 1 . 1 121 121 CYS N N 15 115.781 0.000 . . . . . . . 879 C N . 53779 1 1472 . 1 . 1 122 122 ILE H H 1 8.495 0.000 . . . . . . . 880 I H . 53779 1 1473 . 1 . 1 122 122 ILE HA H 1 3.356 0.000 . . . . . . . 880 I HA . 53779 1 1474 . 1 . 1 122 122 ILE HB H 1 1.715 0.000 . . . . . . . 880 I HB . 53779 1 1475 . 1 . 1 122 122 ILE HG12 H 1 0.719 0.000 . . . . . . . 880 I HG12 . 53779 1 1476 . 1 . 1 122 122 ILE HG13 H 1 1.849 0.000 . . . . . . . 880 I HG13 . 53779 1 1477 . 1 . 1 122 122 ILE HG21 H 1 0.895 0.000 . . . . . . . 880 I QG2 . 53779 1 1478 . 1 . 1 122 122 ILE HG22 H 1 0.895 0.000 . . . . . . . 880 I QG2 . 53779 1 1479 . 1 . 1 122 122 ILE HG23 H 1 0.895 0.000 . . . . . . . 880 I QG2 . 53779 1 1480 . 1 . 1 122 122 ILE HD11 H 1 0.832 0.000 . . . . . . . 880 I QD1 . 53779 1 1481 . 1 . 1 122 122 ILE HD12 H 1 0.832 0.000 . . . . . . . 880 I QD1 . 53779 1 1482 . 1 . 1 122 122 ILE HD13 H 1 0.832 0.000 . . . . . . . 880 I QD1 . 53779 1 1483 . 1 . 1 122 122 ILE C C 13 178.231 0.000 . . . . . . . 880 I C . 53779 1 1484 . 1 . 1 122 122 ILE CA C 13 65.744 0.000 . . . . . . . 880 I CA . 53779 1 1485 . 1 . 1 122 122 ILE CB C 13 38.907 0.000 . . . . . . . 880 I CB . 53779 1 1486 . 1 . 1 122 122 ILE CG1 C 13 31.741 0.000 . . . . . . . 880 I CG1 . 53779 1 1487 . 1 . 1 122 122 ILE CG2 C 13 17.032 0.000 . . . . . . . 880 I CG2 . 53779 1 1488 . 1 . 1 122 122 ILE CD1 C 13 14.389 0.000 . . . . . . . 880 I CD1 . 53779 1 1489 . 1 . 1 122 122 ILE N N 15 120.339 0.000 . . . . . . . 880 I N . 53779 1 1490 . 1 . 1 123 123 ALA H H 1 7.323 0.000 . . . . . . . 881 A H . 53779 1 1491 . 1 . 1 123 123 ALA HA H 1 4.231 0.000 . . . . . . . 881 A HA . 53779 1 1492 . 1 . 1 123 123 ALA HB1 H 1 1.439 0.000 . . . . . . . 881 A HB# . 53779 1 1493 . 1 . 1 123 123 ALA HB2 H 1 1.439 0.000 . . . . . . . 881 A HB# . 53779 1 1494 . 1 . 1 123 123 ALA HB3 H 1 1.439 0.000 . . . . . . . 881 A HB# . 53779 1 1495 . 1 . 1 123 123 ALA C C 13 177.408 0.000 . . . . . . . 881 A C . 53779 1 1496 . 1 . 1 123 123 ALA CA C 13 53.463 0.000 . . . . . . . 881 A CA . 53779 1 1497 . 1 . 1 123 123 ALA CB C 13 19.056 0.000 . . . . . . . 881 A CB . 53779 1 1498 . 1 . 1 123 123 ALA N N 15 116.867 0.000 . . . . . . . 881 A N . 53779 1 1499 . 1 . 1 124 124 ARG H H 1 7.321 0.000 . . . . . . . 882 R H . 53779 1 1500 . 1 . 1 124 124 ARG HA H 1 4.266 0.000 . . . . . . . 882 R HA . 53779 1 1501 . 1 . 1 124 124 ARG HB2 H 1 1.348 0.000 . . . . . . . 882 R HB2 . 53779 1 1502 . 1 . 1 124 124 ARG HB3 H 1 2.337 0.000 . . . . . . . 882 R HB3 . 53779 1 1503 . 1 . 1 124 124 ARG HG2 H 1 1.277 0.010 . . . . . . . 882 R HG2 . 53779 1 1504 . 1 . 1 124 124 ARG HG3 H 1 1.380 0.000 . . . . . . . 882 R HG3 . 53779 1 1505 . 1 . 1 124 124 ARG HD2 H 1 2.232 0.000 . . . . . . . 882 R HD2 . 53779 1 1506 . 1 . 1 124 124 ARG HD3 H 1 2.799 0.000 . . . . . . . 882 R HD3 . 53779 1 1507 . 1 . 1 124 124 ARG HE H 1 6.856 0.000 . . . . . . . 882 R HE . 53779 1 1508 . 1 . 1 124 124 ARG C C 13 174.751 0.000 . . . . . . . 882 R C . 53779 1 1509 . 1 . 1 124 124 ARG CA C 13 56.195 0.000 . . . . . . . 882 R CA . 53779 1 1510 . 1 . 1 124 124 ARG CB C 13 31.604 0.000 . . . . . . . 882 R CB . 53779 1 1511 . 1 . 1 124 124 ARG CG C 13 28.314 0.000 . . . . . . . 882 R CG . 53779 1 1512 . 1 . 1 124 124 ARG CD C 13 42.224 0.000 . . . . . . . 882 R CD . 53779 1 1513 . 1 . 1 124 124 ARG N N 15 116.890 0.000 . . . . . . . 882 R N . 53779 1 1514 . 1 . 1 125 125 MET H H 1 7.209 0.000 . . . . . . . 883 M H . 53779 1 1515 . 1 . 1 125 125 MET HA H 1 4.553 0.000 . . . . . . . 883 M HA . 53779 1 1516 . 1 . 1 125 125 MET HB2 H 1 1.719 0.000 . . . . . . . 883 M HB2 . 53779 1 1517 . 1 . 1 125 125 MET HB3 H 1 1.723 0.000 . . . . . . . 883 M HB3 . 53779 1 1518 . 1 . 1 125 125 MET HG2 H 1 2.301 0.000 . . . . . . . 883 M HG2 . 53779 1 1519 . 1 . 1 125 125 MET HG3 H 1 2.745 0.000 . . . . . . . 883 M HG3 . 53779 1 1520 . 1 . 1 125 125 MET HE1 H 1 1.292 0.000 . . . . . . . 883 M HE# . 53779 1 1521 . 1 . 1 125 125 MET HE2 H 1 1.292 0.000 . . . . . . . 883 M HE# . 53779 1 1522 . 1 . 1 125 125 MET HE3 H 1 1.292 0.000 . . . . . . . 883 M HE# . 53779 1 1523 . 1 . 1 125 125 MET C C 13 173.618 0.000 . . . . . . . 883 M C . 53779 1 1524 . 1 . 1 125 125 MET CA C 13 55.465 0.000 . . . . . . . 883 M CA . 53779 1 1525 . 1 . 1 125 125 MET CB C 13 36.785 0.000 . . . . . . . 883 M CB . 53779 1 1526 . 1 . 1 125 125 MET CG C 13 34.636 0.000 . . . . . . . 883 M CG . 53779 1 1527 . 1 . 1 125 125 MET CE C 13 17.031 0.010 . . . . . . . 883 M CE . 53779 1 1528 . 1 . 1 125 125 MET N N 15 117.941 0.000 . . . . . . . 883 M N . 53779 1 1529 . 1 . 1 126 126 ALA H H 1 8.593 0.000 . . . . . . . 884 A H . 53779 1 1530 . 1 . 1 126 126 ALA HA H 1 4.016 0.000 . . . . . . . 884 A HA . 53779 1 1531 . 1 . 1 126 126 ALA HB1 H 1 1.331 0.000 . . . . . . . 884 A HB# . 53779 1 1532 . 1 . 1 126 126 ALA HB2 H 1 1.331 0.000 . . . . . . . 884 A HB# . 53779 1 1533 . 1 . 1 126 126 ALA HB3 H 1 1.331 0.000 . . . . . . . 884 A HB# . 53779 1 1534 . 1 . 1 126 126 ALA C C 13 174.689 0.010 . . . . . . . 884 A C . 53779 1 1535 . 1 . 1 126 126 ALA CA C 13 49.326 0.000 . . . . . . . 884 A CA . 53779 1 1536 . 1 . 1 126 126 ALA CB C 13 18.479 0.000 . . . . . . . 884 A CB . 53779 1 1537 . 1 . 1 126 126 ALA N N 15 125.178 0.000 . . . . . . . 884 A N . 53779 1 1538 . 1 . 1 127 127 PRO HA H 1 4.556 0.000 . . . . . . . 885 P HA . 53779 1 1539 . 1 . 1 127 127 PRO HB2 H 1 1.731 0.000 . . . . . . . 885 P HB2 . 53779 1 1540 . 1 . 1 127 127 PRO HB3 H 1 2.385 0.000 . . . . . . . 885 P HB3 . 53779 1 1541 . 1 . 1 127 127 PRO HG2 H 1 1.981 0.000 . . . . . . . 885 P HG2 . 53779 1 1542 . 1 . 1 127 127 PRO HG3 H 1 2.064 0.000 . . . . . . . 885 P HG3 . 53779 1 1543 . 1 . 1 127 127 PRO HD2 H 1 3.515 0.000 . . . . . . . 885 P HD2 . 53779 1 1544 . 1 . 1 127 127 PRO HD3 H 1 3.577 0.010 . . . . . . . 885 P HD3 . 53779 1 1545 . 1 . 1 127 127 PRO C C 13 176.476 0.000 . . . . . . . 885 P C . 53779 1 1546 . 1 . 1 127 127 PRO CA C 13 62.894 0.000 . . . . . . . 885 P CA . 53779 1 1547 . 1 . 1 127 127 PRO CB C 13 32.066 0.000 . . . . . . . 885 P CB . 53779 1 1548 . 1 . 1 127 127 PRO CG C 13 27.672 0.000 . . . . . . . 885 P CG . 53779 1 1549 . 1 . 1 127 127 PRO CD C 13 50.381 0.000 . . . . . . . 885 P CD . 53779 1 1550 . 1 . 1 128 128 TYR H H 1 8.155 0.000 . . . . . . . 886 Y H . 53779 1 1551 . 1 . 1 128 128 TYR HA H 1 4.519 0.000 . . . . . . . 886 Y HA . 53779 1 1552 . 1 . 1 128 128 TYR HB2 H 1 2.293 0.000 . . . . . . . 886 Y HB2 . 53779 1 1553 . 1 . 1 128 128 TYR HB3 H 1 2.482 0.010 . . . . . . . 886 Y HB3 . 53779 1 1554 . 1 . 1 128 128 TYR HD1 H 1 6.656 0.000 . . . . . . . 886 Y HD1 . 53779 1 1555 . 1 . 1 128 128 TYR HD2 H 1 6.677 0.000 . . . . . . . 886 Y HD2 . 53779 1 1556 . 1 . 1 128 128 TYR HE1 H 1 6.687 0.000 . . . . . . . 886 Y HE1 . 53779 1 1557 . 1 . 1 128 128 TYR HE2 H 1 6.690 0.000 . . . . . . . 886 Y HE2 . 53779 1 1558 . 1 . 1 128 128 TYR C C 13 174.525 0.000 . . . . . . . 886 Y C . 53779 1 1559 . 1 . 1 128 128 TYR CA C 13 57.738 0.000 . . . . . . . 886 Y CA . 53779 1 1560 . 1 . 1 128 128 TYR CB C 13 39.360 0.000 . . . . . . . 886 Y CB . 53779 1 1561 . 1 . 1 128 128 TYR CD1 C 13 133.072 0.000 . . . . . . . 886 Y CD1 . 53779 1 1562 . 1 . 1 128 128 TYR CE1 C 13 118.727 0.000 . . . . . . . 886 Y CE1 . 53779 1 1563 . 1 . 1 128 128 TYR N N 15 123.409 0.000 . . . . . . . 886 Y N . 53779 1 1564 . 1 . 1 129 129 GLN H H 1 8.192 0.000 . . . . . . . 887 Q H . 53779 1 1565 . 1 . 1 129 129 GLN HA H 1 4.357 0.000 . . . . . . . 887 Q HA . 53779 1 1566 . 1 . 1 129 129 GLN HB2 H 1 1.609 0.000 . . . . . . . 887 Q HB2 . 53779 1 1567 . 1 . 1 129 129 GLN HB3 H 1 1.612 0.000 . . . . . . . 887 Q HB3 . 53779 1 1568 . 1 . 1 129 129 GLN HG2 H 1 2.072 0.000 . . . . . . . 887 Q HG2 . 53779 1 1569 . 1 . 1 129 129 GLN HG3 H 1 2.072 0.000 . . . . . . . 887 Q HG3 . 53779 1 1570 . 1 . 1 129 129 GLN HE21 H 1 6.801 0.000 . . . . . . . 887 Q HE21 . 53779 1 1571 . 1 . 1 129 129 GLN HE22 H 1 7.394 0.000 . . . . . . . 887 Q HE22 . 53779 1 1572 . 1 . 1 129 129 GLN C C 13 176.292 0.010 . . . . . . . 887 Q C . 53779 1 1573 . 1 . 1 129 129 GLN CA C 13 54.068 0.000 . . . . . . . 887 Q CA . 53779 1 1574 . 1 . 1 129 129 GLN CB C 13 30.105 0.000 . . . . . . . 887 Q CB . 53779 1 1575 . 1 . 1 129 129 GLN CG C 13 33.624 0.000 . . . . . . . 887 Q CG . 53779 1 1576 . 1 . 1 129 129 GLN N N 15 125.988 0.000 . . . . . . . 887 Q N . 53779 1 1577 . 1 . 1 129 129 GLN NE2 N 15 111.829 0.000 . . . . . . . 887 Q NE2 . 53779 1 1578 . 1 . 1 130 130 GLY H H 1 6.095 0.000 . . . . . . . 888 G H . 53779 1 1579 . 1 . 1 130 130 GLY HA2 H 1 3.719 0.000 . . . . . . . 888 G HA2 . 53779 1 1580 . 1 . 1 130 130 GLY HA3 H 1 4.069 0.000 . . . . . . . 888 G HA3 . 53779 1 1581 . 1 . 1 130 130 GLY C C 13 173.028 0.000 . . . . . . . 888 G C . 53779 1 1582 . 1 . 1 130 130 GLY CA C 13 45.079 0.000 . . . . . . . 888 G CA . 53779 1 1583 . 1 . 1 130 130 GLY N N 15 105.946 0.000 . . . . . . . 888 G N . 53779 1 1584 . 1 . 1 131 131 PRO HA H 1 4.394 0.000 . . . . . . . 889 P HA . 53779 1 1585 . 1 . 1 131 131 PRO HB2 H 1 2.074 0.000 . . . . . . . 889 P HB2 . 53779 1 1586 . 1 . 1 131 131 PRO HB3 H 1 2.368 0.000 . . . . . . . 889 P HB3 . 53779 1 1587 . 1 . 1 131 131 PRO HG2 H 1 2.092 0.000 . . . . . . . 889 P HG2 . 53779 1 1588 . 1 . 1 131 131 PRO HG3 H 1 2.100 0.000 . . . . . . . 889 P HG3 . 53779 1 1589 . 1 . 1 131 131 PRO HD2 H 1 3.665 0.000 . . . . . . . 889 P HD2 . 53779 1 1590 . 1 . 1 131 131 PRO HD3 H 1 3.671 0.000 . . . . . . . 889 P HD3 . 53779 1 1591 . 1 . 1 131 131 PRO C C 13 176.556 0.000 . . . . . . . 889 P C . 53779 1 1592 . 1 . 1 131 131 PRO CA C 13 64.980 0.000 . . . . . . . 889 P CA . 53779 1 1593 . 1 . 1 131 131 PRO CB C 13 31.734 0.000 . . . . . . . 889 P CB . 53779 1 1594 . 1 . 1 131 131 PRO CG C 13 27.523 0.000 . . . . . . . 889 P CG . 53779 1 1595 . 1 . 1 131 131 PRO CD C 13 49.768 0.000 . . . . . . . 889 P CD . 53779 1 1596 . 1 . 1 132 132 ASP H H 1 9.509 0.000 . . . . . . . 890 D H . 53779 1 1597 . 1 . 1 132 132 ASP HA H 1 4.616 0.000 . . . . . . . 890 D HA . 53779 1 1598 . 1 . 1 132 132 ASP HB2 H 1 2.769 0.000 . . . . . . . 890 D HB2 . 53779 1 1599 . 1 . 1 132 132 ASP HB3 H 1 3.129 0.000 . . . . . . . 890 D HB3 . 53779 1 1600 . 1 . 1 132 132 ASP C C 13 174.859 0.000 . . . . . . . 890 D C . 53779 1 1601 . 1 . 1 132 132 ASP CA C 13 52.599 0.000 . . . . . . . 890 D CA . 53779 1 1602 . 1 . 1 132 132 ASP CB C 13 39.156 0.000 . . . . . . . 890 D CB . 53779 1 1603 . 1 . 1 132 132 ASP N N 15 115.325 0.000 . . . . . . . 890 D N . 53779 1 1604 . 1 . 1 133 133 ALA H H 1 7.417 0.000 . . . . . . . 891 A H . 53779 1 1605 . 1 . 1 133 133 ALA HA H 1 3.373 0.000 . . . . . . . 891 A HA . 53779 1 1606 . 1 . 1 133 133 ALA HB1 H 1 1.318 0.000 . . . . . . . 891 A HB# . 53779 1 1607 . 1 . 1 133 133 ALA HB2 H 1 1.318 0.000 . . . . . . . 891 A HB# . 53779 1 1608 . 1 . 1 133 133 ALA HB3 H 1 1.318 0.000 . . . . . . . 891 A HB# . 53779 1 1609 . 1 . 1 133 133 ALA C C 13 176.308 0.000 . . . . . . . 891 A C . 53779 1 1610 . 1 . 1 133 133 ALA CA C 13 53.768 0.000 . . . . . . . 891 A CA . 53779 1 1611 . 1 . 1 133 133 ALA CB C 13 19.876 0.000 . . . . . . . 891 A CB . 53779 1 1612 . 1 . 1 133 133 ALA N N 15 120.347 0.000 . . . . . . . 891 A N . 53779 1 1613 . 1 . 1 134 134 VAL H H 1 5.735 0.000 . . . . . . . 892 V H . 53779 1 1614 . 1 . 1 134 134 VAL HA H 1 4.330 0.010 . . . . . . . 892 V HA . 53779 1 1615 . 1 . 1 134 134 VAL HB H 1 2.310 0.000 . . . . . . . 892 V HB . 53779 1 1616 . 1 . 1 134 134 VAL HG11 H 1 0.656 0.000 . . . . . . . 892 V QG1 . 53779 1 1617 . 1 . 1 134 134 VAL HG12 H 1 0.656 0.000 . . . . . . . 892 V QG1 . 53779 1 1618 . 1 . 1 134 134 VAL HG13 H 1 0.656 0.000 . . . . . . . 892 V QG1 . 53779 1 1619 . 1 . 1 134 134 VAL HG21 H 1 1.022 0.000 . . . . . . . 892 V QG2 . 53779 1 1620 . 1 . 1 134 134 VAL HG22 H 1 1.022 0.000 . . . . . . . 892 V QG2 . 53779 1 1621 . 1 . 1 134 134 VAL HG23 H 1 1.022 0.000 . . . . . . . 892 V QG2 . 53779 1 1622 . 1 . 1 134 134 VAL C C 13 173.604 0.000 . . . . . . . 892 V C . 53779 1 1623 . 1 . 1 134 134 VAL CA C 13 57.664 0.000 . . . . . . . 892 V CA . 53779 1 1624 . 1 . 1 134 134 VAL CB C 13 32.130 0.000 . . . . . . . 892 V CB . 53779 1 1625 . 1 . 1 134 134 VAL CG1 C 13 18.273 0.000 . . . . . . . 892 V CG1 . 53779 1 1626 . 1 . 1 134 134 VAL CG2 C 13 21.643 0.000 . . . . . . . 892 V CG2 . 53779 1 1627 . 1 . 1 134 134 VAL N N 15 111.383 0.000 . . . . . . . 892 V N . 53779 1 1628 . 1 . 1 135 135 PRO HA H 1 4.317 0.000 . . . . . . . 893 P HA . 53779 1 1629 . 1 . 1 135 135 PRO HB2 H 1 1.894 0.010 . . . . . . . 893 P HB2 . 53779 1 1630 . 1 . 1 135 135 PRO HB3 H 1 2.351 0.010 . . . . . . . 893 P HB3 . 53779 1 1631 . 1 . 1 135 135 PRO HG2 H 1 0.671 0.010 . . . . . . . 893 P HG2 . 53779 1 1632 . 1 . 1 135 135 PRO HG3 H 1 2.031 0.010 . . . . . . . 893 P HG3 . 53779 1 1633 . 1 . 1 135 135 PRO HD2 H 1 3.225 0.000 . . . . . . . 893 P HD2 . 53779 1 1634 . 1 . 1 135 135 PRO HD3 H 1 3.629 0.000 . . . . . . . 893 P HD3 . 53779 1 1635 . 1 . 1 135 135 PRO C C 13 177.749 0.000 . . . . . . . 893 P C . 53779 1 1636 . 1 . 1 135 135 PRO CA C 13 64.691 0.000 . . . . . . . 893 P CA . 53779 1 1637 . 1 . 1 135 135 PRO CB C 13 31.723 0.000 . . . . . . . 893 P CB . 53779 1 1638 . 1 . 1 135 135 PRO CG C 13 27.430 0.000 . . . . . . . 893 P CG . 53779 1 1639 . 1 . 1 135 135 PRO CD C 13 50.504 0.000 . . . . . . . 893 P CD . 53779 1 1640 . 1 . 1 136 136 GLY H H 1 8.850 0.000 . . . . . . . 894 G H . 53779 1 1641 . 1 . 1 136 136 GLY HA2 H 1 3.762 0.000 . . . . . . . 894 G HA2 . 53779 1 1642 . 1 . 1 136 136 GLY HA3 H 1 4.371 0.000 . . . . . . . 894 G HA3 . 53779 1 1643 . 1 . 1 136 136 GLY C C 13 174.809 0.000 . . . . . . . 894 G C . 53779 1 1644 . 1 . 1 136 136 GLY CA C 13 45.230 0.000 . . . . . . . 894 G CA . 53779 1 1645 . 1 . 1 136 136 GLY N N 15 112.187 0.000 . . . . . . . 894 G N . 53779 1 1646 . 1 . 1 137 137 ALA H H 1 7.785 0.000 . . . . . . . 895 A H . 53779 1 1647 . 1 . 1 137 137 ALA HA H 1 4.024 0.000 . . . . . . . 895 A HA . 53779 1 1648 . 1 . 1 137 137 ALA HB1 H 1 1.035 0.000 . . . . . . . 895 A HB# . 53779 1 1649 . 1 . 1 137 137 ALA HB2 H 1 1.035 0.000 . . . . . . . 895 A HB# . 53779 1 1650 . 1 . 1 137 137 ALA HB3 H 1 1.035 0.000 . . . . . . . 895 A HB# . 53779 1 1651 . 1 . 1 137 137 ALA C C 13 177.136 0.000 . . . . . . . 895 A C . 53779 1 1652 . 1 . 1 137 137 ALA CA C 13 53.377 0.000 . . . . . . . 895 A CA . 53779 1 1653 . 1 . 1 137 137 ALA CB C 13 20.328 0.000 . . . . . . . 895 A CB . 53779 1 1654 . 1 . 1 137 137 ALA N N 15 120.740 0.000 . . . . . . . 895 A N . 53779 1 1655 . 1 . 1 138 138 LEU H H 1 9.641 0.000 . . . . . . . 896 L H . 53779 1 1656 . 1 . 1 138 138 LEU HA H 1 4.802 0.000 . . . . . . . 896 L HA . 53779 1 1657 . 1 . 1 138 138 LEU HB2 H 1 1.168 0.000 . . . . . . . 896 L HB2 . 53779 1 1658 . 1 . 1 138 138 LEU HB3 H 1 1.894 0.000 . . . . . . . 896 L HB3 . 53779 1 1659 . 1 . 1 138 138 LEU HG H 1 1.923 0.000 . . . . . . . 896 L HG . 53779 1 1660 . 1 . 1 138 138 LEU HD11 H 1 0.710 0.000 . . . . . . . 896 L QD1 . 53779 1 1661 . 1 . 1 138 138 LEU HD12 H 1 0.710 0.000 . . . . . . . 896 L QD1 . 53779 1 1662 . 1 . 1 138 138 LEU HD13 H 1 0.710 0.000 . . . . . . . 896 L QD1 . 53779 1 1663 . 1 . 1 138 138 LEU HD21 H 1 0.793 0.000 . . . . . . . 896 L QD2 . 53779 1 1664 . 1 . 1 138 138 LEU HD22 H 1 0.793 0.000 . . . . . . . 896 L QD2 . 53779 1 1665 . 1 . 1 138 138 LEU HD23 H 1 0.793 0.000 . . . . . . . 896 L QD2 . 53779 1 1666 . 1 . 1 138 138 LEU C C 13 176.123 0.000 . . . . . . . 896 L C . 53779 1 1667 . 1 . 1 138 138 LEU CA C 13 54.434 0.000 . . . . . . . 896 L CA . 53779 1 1668 . 1 . 1 138 138 LEU CB C 13 44.654 0.000 . . . . . . . 896 L CB . 53779 1 1669 . 1 . 1 138 138 LEU CG C 13 26.501 0.000 . . . . . . . 896 L CG . 53779 1 1670 . 1 . 1 138 138 LEU CD1 C 13 22.885 0.000 . . . . . . . 896 L CD1 . 53779 1 1671 . 1 . 1 138 138 LEU CD2 C 13 27.015 0.000 . . . . . . . 896 L CD2 . 53779 1 1672 . 1 . 1 138 138 LEU N N 15 126.471 0.000 . . . . . . . 896 L N . 53779 1 1673 . 1 . 1 139 139 ASP H H 1 9.129 0.000 . . . . . . . 897 D H . 53779 1 1674 . 1 . 1 139 139 ASP HA H 1 4.959 0.000 . . . . . . . 897 D HA . 53779 1 1675 . 1 . 1 139 139 ASP HB2 H 1 2.383 0.000 . . . . . . . 897 D HB2 . 53779 1 1676 . 1 . 1 139 139 ASP HB3 H 1 3.034 0.000 . . . . . . . 897 D HB3 . 53779 1 1677 . 1 . 1 139 139 ASP C C 13 177.181 0.000 . . . . . . . 897 D C . 53779 1 1678 . 1 . 1 139 139 ASP CA C 13 52.182 0.000 . . . . . . . 897 D CA . 53779 1 1679 . 1 . 1 139 139 ASP CB C 13 40.929 0.000 . . . . . . . 897 D CB . 53779 1 1680 . 1 . 1 139 139 ASP N N 15 120.144 0.000 . . . . . . . 897 D N . 53779 1 1681 . 1 . 1 140 140 TYR H H 1 7.590 0.000 . . . . . . . 898 Y H . 53779 1 1682 . 1 . 1 140 140 TYR HA H 1 4.589 0.000 . . . . . . . 898 Y HA . 53779 1 1683 . 1 . 1 140 140 TYR HB2 H 1 2.419 0.000 . . . . . . . 898 Y HB2 . 53779 1 1684 . 1 . 1 140 140 TYR HB3 H 1 3.026 0.000 . . . . . . . 898 Y HB3 . 53779 1 1685 . 1 . 1 140 140 TYR HD1 H 1 6.836 0.000 . . . . . . . 898 Y HD1 . 53779 1 1686 . 1 . 1 140 140 TYR HD2 H 1 6.840 0.000 . . . . . . . 898 Y HD2 . 53779 1 1687 . 1 . 1 140 140 TYR HE1 H 1 6.540 0.000 . . . . . . . 898 Y HE1 . 53779 1 1688 . 1 . 1 140 140 TYR HE2 H 1 6.558 0.000 . . . . . . . 898 Y HE2 . 53779 1 1689 . 1 . 1 140 140 TYR C C 13 176.680 0.000 . . . . . . . 898 Y C . 53779 1 1690 . 1 . 1 140 140 TYR CA C 13 59.225 0.000 . . . . . . . 898 Y CA . 53779 1 1691 . 1 . 1 140 140 TYR CB C 13 37.517 0.000 . . . . . . . 898 Y CB . 53779 1 1692 . 1 . 1 140 140 TYR CD1 C 13 132.964 0.000 . . . . . . . 898 Y CD1 . 53779 1 1693 . 1 . 1 140 140 TYR CE1 C 13 118.241 0.000 . . . . . . . 898 Y CE1 . 53779 1 1694 . 1 . 1 140 140 TYR N N 15 126.483 0.000 . . . . . . . 898 Y N . 53779 1 1695 . 1 . 1 141 141 LYS H H 1 7.669 0.000 . . . . . . . 899 K H . 53779 1 1696 . 1 . 1 141 141 LYS HA H 1 4.160 0.000 . . . . . . . 899 K HA . 53779 1 1697 . 1 . 1 141 141 LYS HB2 H 1 1.899 0.000 . . . . . . . 899 K HB2 . 53779 1 1698 . 1 . 1 141 141 LYS HB3 H 1 1.911 0.000 . . . . . . . 899 K HB3 . 53779 1 1699 . 1 . 1 141 141 LYS HG2 H 1 1.097 0.000 . . . . . . . 899 K HG2 . 53779 1 1700 . 1 . 1 141 141 LYS HG3 H 1 1.250 0.000 . . . . . . . 899 K HG3 . 53779 1 1701 . 1 . 1 141 141 LYS HD2 H 1 1.107 0.010 . . . . . . . 899 K HD2 . 53779 1 1702 . 1 . 1 141 141 LYS HD3 H 1 1.659 0.000 . . . . . . . 899 K HD3 . 53779 1 1703 . 1 . 1 141 141 LYS HE2 H 1 2.986 0.010 . . . . . . . 899 K HE2 . 53779 1 1704 . 1 . 1 141 141 LYS HE3 H 1 2.988 0.000 . . . . . . . 899 K HE3 . 53779 1 1705 . 1 . 1 141 141 LYS C C 13 177.635 0.000 . . . . . . . 899 K C . 53779 1 1706 . 1 . 1 141 141 LYS CA C 13 58.854 0.000 . . . . . . . 899 K CA . 53779 1 1707 . 1 . 1 141 141 LYS CB C 13 31.627 0.000 . . . . . . . 899 K CB . 53779 1 1708 . 1 . 1 141 141 LYS CG C 13 26.227 0.000 . . . . . . . 899 K CG . 53779 1 1709 . 1 . 1 141 141 LYS CD C 13 29.271 0.000 . . . . . . . 899 K CD . 53779 1 1710 . 1 . 1 141 141 LYS CE C 13 42.204 0.000 . . . . . . . 899 K CE . 53779 1 1711 . 1 . 1 141 141 LYS N N 15 121.655 0.000 . . . . . . . 899 K N . 53779 1 1712 . 1 . 1 142 142 SER H H 1 7.685 0.000 . . . . . . . 900 S H . 53779 1 1713 . 1 . 1 142 142 SER HA H 1 4.489 0.000 . . . . . . . 900 S HA . 53779 1 1714 . 1 . 1 142 142 SER HB2 H 1 3.884 0.010 . . . . . . . 900 S HB2 . 53779 1 1715 . 1 . 1 142 142 SER HB3 H 1 4.168 0.010 . . . . . . . 900 S HB3 . 53779 1 1716 . 1 . 1 142 142 SER C C 13 174.234 0.000 . . . . . . . 900 S C . 53779 1 1717 . 1 . 1 142 142 SER CA C 13 58.990 0.000 . . . . . . . 900 S CA . 53779 1 1718 . 1 . 1 142 142 SER CB C 13 64.430 0.000 . . . . . . . 900 S CB . 53779 1 1719 . 1 . 1 142 142 SER N N 15 113.365 0.000 . . . . . . . 900 S N . 53779 1 1720 . 1 . 1 143 143 PHE H H 1 7.316 0.000 . . . . . . . 901 F H . 53779 1 1721 . 1 . 1 143 143 PHE HA H 1 4.668 0.000 . . . . . . . 901 F HA . 53779 1 1722 . 1 . 1 143 143 PHE HB2 H 1 3.208 0.000 . . . . . . . 901 F HB2 . 53779 1 1723 . 1 . 1 143 143 PHE HB3 H 1 3.264 0.000 . . . . . . . 901 F HB3 . 53779 1 1724 . 1 . 1 143 143 PHE HD1 H 1 6.832 0.010 . . . . . . . 901 F HD1 . 53779 1 1725 . 1 . 1 143 143 PHE HD2 H 1 7.242 0.010 . . . . . . . 901 F HD2 . 53779 1 1726 . 1 . 1 143 143 PHE HE1 H 1 6.831 0.010 . . . . . . . 901 F HE1 . 53779 1 1727 . 1 . 1 143 143 PHE HE2 H 1 7.239 0.010 . . . . . . . 901 F HE2 . 53779 1 1728 . 1 . 1 143 143 PHE HZ H 1 7.092 0.010 . . . . . . . 901 F HZ . 53779 1 1729 . 1 . 1 143 143 PHE C C 13 175.070 0.000 . . . . . . . 901 F C . 53779 1 1730 . 1 . 1 143 143 PHE CA C 13 59.623 0.000 . . . . . . . 901 F CA . 53779 1 1731 . 1 . 1 143 143 PHE CB C 13 40.128 0.000 . . . . . . . 901 F CB . 53779 1 1732 . 1 . 1 143 143 PHE CD1 C 13 132.702 0.010 . . . . . . . 901 F CD1 . 53779 1 1733 . 1 . 1 143 143 PHE CE1 C 13 133.314 0.010 . . . . . . . 901 F CE1 . 53779 1 1734 . 1 . 1 143 143 PHE CZ C 13 133.275 0.000 . . . . . . . 901 F CZ . 53779 1 1735 . 1 . 1 143 143 PHE N N 15 122.771 0.000 . . . . . . . 901 F N . 53779 1 1736 . 1 . 1 144 144 SER H H 1 7.480 0.000 . . . . . . . 902 S H . 53779 1 1737 . 1 . 1 144 144 SER HA H 1 4.336 0.010 . . . . . . . 902 S HA . 53779 1 1738 . 1 . 1 144 144 SER HB2 H 1 4.002 0.010 . . . . . . . 902 S HB2 . 53779 1 1739 . 1 . 1 144 144 SER HB3 H 1 4.320 0.010 . . . . . . . 902 S HB3 . 53779 1 1740 . 1 . 1 144 144 SER C C 13 173.178 0.000 . . . . . . . 902 S C . 53779 1 1741 . 1 . 1 144 144 SER CA C 13 57.647 0.000 . . . . . . . 902 S CA . 53779 1 1742 . 1 . 1 144 144 SER CB C 13 64.743 0.000 . . . . . . . 902 S CB . 53779 1 1743 . 1 . 1 144 144 SER N N 15 119.705 0.000 . . . . . . . 902 S N . 53779 1 1744 . 1 . 1 145 145 THR H H 1 8.040 0.000 . . . . . . . 903 T H . 53779 1 1745 . 1 . 1 145 145 THR HA H 1 4.017 0.000 . . . . . . . 903 T HA . 53779 1 1746 . 1 . 1 145 145 THR HB H 1 4.344 0.000 . . . . . . . 903 T HB . 53779 1 1747 . 1 . 1 145 145 THR HG21 H 1 1.307 0.000 . . . . . . . 903 T QG2 . 53779 1 1748 . 1 . 1 145 145 THR HG22 H 1 1.307 0.000 . . . . . . . 903 T QG2 . 53779 1 1749 . 1 . 1 145 145 THR HG23 H 1 1.307 0.000 . . . . . . . 903 T QG2 . 53779 1 1750 . 1 . 1 145 145 THR C C 13 175.429 0.000 . . . . . . . 903 T C . 53779 1 1751 . 1 . 1 145 145 THR CA C 13 63.613 0.000 . . . . . . . 903 T CA . 53779 1 1752 . 1 . 1 145 145 THR CB C 13 69.153 0.000 . . . . . . . 903 T CB . 53779 1 1753 . 1 . 1 145 145 THR CG2 C 13 22.228 0.000 . . . . . . . 903 T CG2 . 53779 1 1754 . 1 . 1 145 145 THR N N 15 111.320 0.000 . . . . . . . 903 T N . 53779 1 1755 . 1 . 1 146 146 ALA H H 1 7.910 0.000 . . . . . . . 904 A H . 53779 1 1756 . 1 . 1 146 146 ALA HA H 1 4.275 0.000 . . . . . . . 904 A HA . 53779 1 1757 . 1 . 1 146 146 ALA HB1 H 1 1.289 0.000 . . . . . . . 904 A HB# . 53779 1 1758 . 1 . 1 146 146 ALA HB2 H 1 1.289 0.000 . . . . . . . 904 A HB# . 53779 1 1759 . 1 . 1 146 146 ALA HB3 H 1 1.289 0.000 . . . . . . . 904 A HB# . 53779 1 1760 . 1 . 1 146 146 ALA C C 13 177.529 0.000 . . . . . . . 904 A C . 53779 1 1761 . 1 . 1 146 146 ALA CA C 13 52.424 0.000 . . . . . . . 904 A CA . 53779 1 1762 . 1 . 1 146 146 ALA CB C 13 19.271 0.000 . . . . . . . 904 A CB . 53779 1 1763 . 1 . 1 146 146 ALA N N 15 125.392 0.000 . . . . . . . 904 A N . 53779 1 1764 . 1 . 1 147 147 LEU H H 1 8.059 0.000 . . . . . . . 905 L H . 53779 1 1765 . 1 . 1 147 147 LEU HA H 1 4.054 0.000 . . . . . . . 905 L HA . 53779 1 1766 . 1 . 1 147 147 LEU HB2 H 1 1.311 0.000 . . . . . . . 905 L HB2 . 53779 1 1767 . 1 . 1 147 147 LEU HB3 H 1 1.380 0.010 . . . . . . . 905 L HB3 . 53779 1 1768 . 1 . 1 147 147 LEU HG H 1 1.477 0.010 . . . . . . . 905 L HG . 53779 1 1769 . 1 . 1 147 147 LEU HD11 H 1 0.785 0.000 . . . . . . . 905 L QD1 . 53779 1 1770 . 1 . 1 147 147 LEU HD12 H 1 0.785 0.000 . . . . . . . 905 L QD1 . 53779 1 1771 . 1 . 1 147 147 LEU HD13 H 1 0.785 0.000 . . . . . . . 905 L QD1 . 53779 1 1772 . 1 . 1 147 147 LEU HD21 H 1 0.834 0.010 . . . . . . . 905 L QD2 . 53779 1 1773 . 1 . 1 147 147 LEU HD22 H 1 0.834 0.010 . . . . . . . 905 L QD2 . 53779 1 1774 . 1 . 1 147 147 LEU HD23 H 1 0.834 0.010 . . . . . . . 905 L QD2 . 53779 1 1775 . 1 . 1 147 147 LEU C C 13 177.759 0.010 . . . . . . . 905 L C . 53779 1 1776 . 1 . 1 147 147 LEU CA C 13 55.673 0.000 . . . . . . . 905 L CA . 53779 1 1777 . 1 . 1 147 147 LEU CB C 13 42.398 0.000 . . . . . . . 905 L CB . 53779 1 1778 . 1 . 1 147 147 LEU CG C 13 27.191 0.010 . . . . . . . 905 L CG . 53779 1 1779 . 1 . 1 147 147 LEU CD1 C 13 24.004 0.000 . . . . . . . 905 L CD1 . 53779 1 1780 . 1 . 1 147 147 LEU CD2 C 13 25.236 0.010 . . . . . . . 905 L CD2 . 53779 1 1781 . 1 . 1 147 147 LEU N N 15 120.584 0.000 . . . . . . . 905 L N . 53779 1 1782 . 1 . 1 148 148 TYR H H 1 8.204 0.000 . . . . . . . 906 Y H . 53779 1 1783 . 1 . 1 148 148 TYR HA H 1 4.440 0.000 . . . . . . . 906 Y HA . 53779 1 1784 . 1 . 1 148 148 TYR HB2 H 1 2.801 0.000 . . . . . . . 906 Y HB2 . 53779 1 1785 . 1 . 1 148 148 TYR HB3 H 1 2.908 0.000 . . . . . . . 906 Y HB3 . 53779 1 1786 . 1 . 1 148 148 TYR HD1 H 1 2.860 0.010 . . . . . . . 906 Y HD1 . 53779 1 1787 . 1 . 1 148 148 TYR HD2 H 1 7.098 0.000 . . . . . . . 906 Y HD2 . 53779 1 1788 . 1 . 1 148 148 TYR HE1 H 1 6.799 0.000 . . . . . . . 906 Y HE1 . 53779 1 1789 . 1 . 1 148 148 TYR HE2 H 1 6.831 0.010 . . . . . . . 906 Y HE2 . 53779 1 1790 . 1 . 1 148 148 TYR C C 13 176.531 0.000 . . . . . . . 906 Y C . 53779 1 1791 . 1 . 1 148 148 TYR CA C 13 58.713 0.000 . . . . . . . 906 Y CA . 53779 1 1792 . 1 . 1 148 148 TYR CB C 13 38.716 0.000 . . . . . . . 906 Y CB . 53779 1 1793 . 1 . 1 148 148 TYR CD1 C 13 133.416 0.000 . . . . . . . 906 Y CD1 . 53779 1 1794 . 1 . 1 148 148 TYR CE1 C 13 118.322 0.000 . . . . . . . 906 Y CE1 . 53779 1 1795 . 1 . 1 148 148 TYR N N 15 121.066 0.000 . . . . . . . 906 Y N . 53779 1 1796 . 1 . 1 149 149 GLY H H 1 8.093 0.000 . . . . . . . 907 G H . 53779 1 1797 . 1 . 1 149 149 GLY HA2 H 1 3.796 0.010 . . . . . . . 907 G HA2 . 53779 1 1798 . 1 . 1 149 149 GLY HA3 H 1 4.768 0.000 . . . . . . . 907 G HA3 . 53779 1 1799 . 1 . 1 149 149 GLY C C 13 173.886 0.000 . . . . . . . 907 G C . 53779 1 1800 . 1 . 1 149 149 GLY CA C 13 45.325 0.000 . . . . . . . 907 G CA . 53779 1 1801 . 1 . 1 149 149 GLY N N 15 112.044 0.000 . . . . . . . 907 G N . 53779 1 1802 . 1 . 1 150 150 GLU H H 1 8.036 0.000 . . . . . . . 908 E H . 53779 1 1803 . 1 . 1 150 150 GLU HA H 1 4.311 0.000 . . . . . . . 908 E HA . 53779 1 1804 . 1 . 1 150 150 GLU HB2 H 1 1.917 0.000 . . . . . . . 908 E HB2 . 53779 1 1805 . 1 . 1 150 150 GLU HB3 H 1 2.250 0.010 . . . . . . . 908 E HB3 . 53779 1 1806 . 1 . 1 150 150 GLU HG2 H 1 2.246 0.010 . . . . . . . 908 E HG2 . 53779 1 1807 . 1 . 1 150 150 GLU HG3 H 1 2.246 0.010 . . . . . . . 908 E HG3 . 53779 1 1808 . 1 . 1 150 150 GLU C C 13 176.594 0.000 . . . . . . . 908 E C . 53779 1 1809 . 1 . 1 150 150 GLU CA C 13 56.540 0.000 . . . . . . . 908 E CA . 53779 1 1810 . 1 . 1 150 150 GLU CB C 13 30.524 0.000 . . . . . . . 908 E CB . 53779 1 1811 . 1 . 1 150 150 GLU CG C 13 36.400 0.000 . . . . . . . 908 E CG . 53779 1 1812 . 1 . 1 150 150 GLU N N 15 120.164 0.000 . . . . . . . 908 E N . 53779 1 1813 . 1 . 1 151 151 SER H H 1 8.339 0.000 . . . . . . . 909 S H . 53779 1 1814 . 1 . 1 151 151 SER HA H 1 4.584 0.010 . . . . . . . 909 S HA . 53779 1 1815 . 1 . 1 151 151 SER HB2 H 1 3.864 0.010 . . . . . . . 909 S HB2 . 53779 1 1816 . 1 . 1 151 151 SER HB3 H 1 4.468 0.010 . . . . . . . 909 S HB3 . 53779 1 1817 . 1 . 1 151 151 SER C C 13 174.344 0.000 . . . . . . . 909 S C . 53779 1 1818 . 1 . 1 151 151 SER CA C 13 58.335 0.000 . . . . . . . 909 S CA . 53779 1 1819 . 1 . 1 151 151 SER CB C 13 64.156 0.000 . . . . . . . 909 S CB . 53779 1 1820 . 1 . 1 151 151 SER N N 15 116.378 0.000 . . . . . . . 909 S N . 53779 1 1821 . 1 . 1 152 152 ASP H H 1 8.415 0.000 . . . . . . . 910 D H . 53779 1 1822 . 1 . 1 152 152 ASP HA H 1 4.665 0.000 . . . . . . . 910 D HA . 53779 1 1823 . 1 . 1 152 152 ASP HB2 H 1 1.803 0.010 . . . . . . . 910 D HB2 . 53779 1 1824 . 1 . 1 152 152 ASP HB3 H 1 2.723 0.000 . . . . . . . 910 D HB3 . 53779 1 1825 . 1 . 1 152 152 ASP C C 13 175.172 0.000 . . . . . . . 910 D C . 53779 1 1826 . 1 . 1 152 152 ASP CA C 13 54.642 0.000 . . . . . . . 910 D CA . 53779 1 1827 . 1 . 1 152 152 ASP CB C 13 41.082 0.000 . . . . . . . 910 D CB . 53779 1 1828 . 1 . 1 152 152 ASP N N 15 123.023 0.000 . . . . . . . 910 D N . 53779 1 1829 . 1 . 1 153 153 LEU H H 1 7.738 0.000 . . . . . . . 911 L H . 53779 1 1830 . 1 . 1 153 153 LEU HA H 1 4.160 0.000 . . . . . . . 911 L HA . 53779 1 1831 . 1 . 1 153 153 LEU HB2 H 1 1.203 0.010 . . . . . . . 911 L HB2 . 53779 1 1832 . 1 . 1 153 153 LEU HB3 H 1 1.565 0.000 . . . . . . . 911 L HB3 . 53779 1 1833 . 1 . 1 153 153 LEU HG H 1 1.571 0.000 . . . . . . . 911 L HG . 53779 1 1834 . 1 . 1 153 153 LEU HD11 H 1 0.857 0.000 . . . . . . . 911 L QD1 . 53779 1 1835 . 1 . 1 153 153 LEU HD12 H 1 0.857 0.000 . . . . . . . 911 L QD1 . 53779 1 1836 . 1 . 1 153 153 LEU HD13 H 1 0.857 0.000 . . . . . . . 911 L QD1 . 53779 1 1837 . 1 . 1 153 153 LEU HD21 H 1 0.901 0.000 . . . . . . . 911 L QD2 . 53779 1 1838 . 1 . 1 153 153 LEU HD22 H 1 0.901 0.000 . . . . . . . 911 L QD2 . 53779 1 1839 . 1 . 1 153 153 LEU HD23 H 1 0.901 0.000 . . . . . . . 911 L QD2 . 53779 1 1840 . 1 . 1 153 153 LEU C C 13 181.770 0.000 . . . . . . . 911 L C . 53779 1 1841 . 1 . 1 153 153 LEU CA C 13 56.863 0.000 . . . . . . . 911 L CA . 53779 1 1842 . 1 . 1 153 153 LEU CB C 13 43.422 0.000 . . . . . . . 911 L CB . 53779 1 1843 . 1 . 1 153 153 LEU CG C 13 27.144 0.000 . . . . . . . 911 L CG . 53779 1 1844 . 1 . 1 153 153 LEU CD1 C 13 23.553 0.000 . . . . . . . 911 L CD1 . 53779 1 1845 . 1 . 1 153 153 LEU CD2 C 13 25.285 0.000 . . . . . . . 911 L CD2 . 53779 1 1846 . 1 . 1 153 153 LEU N N 15 127.356 0.000 . . . . . . . 911 L N . 53779 1 stop_ save_