data_53778 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53778 _Entry.Title ; Holo 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 holo 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 53778 2 Matic Kovacic . . . 0000-0002-8150-9479 53778 3 Janez Plavec . . . 0000-0003-1570-8602 53778 4 Kristina Djinovic-Carugo . . . 0000-0003-0252-2972 53778 5 Miha Pavsic . . . 0000-0002-2230-1758 53778 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 ; . 53778 2 . 'Slovenian NMR Centre, National Institute of Chemistry, Ljubljana, Slovenia' . 53778 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53778 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 640 53778 '15N chemical shifts' 162 53778 '1H chemical shifts' 1046 53778 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 . 53778 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53779 'Apo form of calmodulin-like domain of human alpha-actinin-4' 53778 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53778 _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 . . . . 53778 1 2 Matic Kovacic . . . . 53778 1 3 Janez Plavec . . . . 53778 1 4 Kristina Djinovic-Carugo . . . . 53778 1 5 Miha Pavsic . . . . 53778 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53778 _Assembly.ID 1 _Assembly.Name 'ACTN4 CaMD domain in holo form' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 1 _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 17012.79 _Assembly.Enzyme_commission_number . _Assembly.Details 'Holo form of calmodulin-like domain of human alpha-actinin-4 with a bound calcium ion.' _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 . . . 53778 1 2 'calcium ion' 2 $entity_CA . . no native no no . . . 53778 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53778 _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 . . . . . . . . . . . . . . 53778 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.' 53778 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 . 53778 1 2 760 SER . 53778 1 3 761 SER . 53778 1 4 762 ILE . 53778 1 5 763 SER . 53778 1 6 764 GLN . 53778 1 7 765 GLU . 53778 1 8 766 GLN . 53778 1 9 767 MET . 53778 1 10 768 GLN . 53778 1 11 769 GLU . 53778 1 12 770 PHE . 53778 1 13 771 ARG . 53778 1 14 772 ALA . 53778 1 15 773 SER . 53778 1 16 774 PHE . 53778 1 17 775 ASN . 53778 1 18 776 HIS . 53778 1 19 777 PHE . 53778 1 20 778 ASP . 53778 1 21 779 LYS . 53778 1 22 780 ASP . 53778 1 23 781 HIS . 53778 1 24 782 GLY . 53778 1 25 783 GLY . 53778 1 26 784 ALA . 53778 1 27 785 LEU . 53778 1 28 786 GLY . 53778 1 29 787 PRO . 53778 1 30 788 GLU . 53778 1 31 789 GLU . 53778 1 32 790 PHE . 53778 1 33 791 LYS . 53778 1 34 792 ALA . 53778 1 35 793 CYS . 53778 1 36 794 LEU . 53778 1 37 795 ILE . 53778 1 38 796 SER . 53778 1 39 797 LEU . 53778 1 40 798 GLY . 53778 1 41 799 TYR . 53778 1 42 800 ASP . 53778 1 43 801 VAL . 53778 1 44 802 GLU . 53778 1 45 803 ASN . 53778 1 46 804 ASP . 53778 1 47 805 ARG . 53778 1 48 806 GLN . 53778 1 49 807 GLY . 53778 1 50 808 GLU . 53778 1 51 809 ALA . 53778 1 52 810 GLU . 53778 1 53 811 PHE . 53778 1 54 812 ASN . 53778 1 55 813 ARG . 53778 1 56 814 ILE . 53778 1 57 815 MET . 53778 1 58 816 SER . 53778 1 59 817 LEU . 53778 1 60 818 VAL . 53778 1 61 819 ASP . 53778 1 62 820 PRO . 53778 1 63 821 ASN . 53778 1 64 822 HIS . 53778 1 65 823 SER . 53778 1 66 824 GLY . 53778 1 67 825 LEU . 53778 1 68 826 VAL . 53778 1 69 827 THR . 53778 1 70 828 PHE . 53778 1 71 829 GLN . 53778 1 72 830 ALA . 53778 1 73 831 PHE . 53778 1 74 832 ILE . 53778 1 75 833 ASP . 53778 1 76 834 PHE . 53778 1 77 835 MET . 53778 1 78 836 SER . 53778 1 79 837 ARG . 53778 1 80 838 GLU . 53778 1 81 839 THR . 53778 1 82 840 THR . 53778 1 83 841 ASP . 53778 1 84 842 THR . 53778 1 85 843 ASP . 53778 1 86 844 THR . 53778 1 87 845 ALA . 53778 1 88 846 ASP . 53778 1 89 847 GLN . 53778 1 90 848 VAL . 53778 1 91 849 ILE . 53778 1 92 850 ALA . 53778 1 93 851 SER . 53778 1 94 852 PHE . 53778 1 95 853 LYS . 53778 1 96 854 VAL . 53778 1 97 855 LEU . 53778 1 98 856 ALA . 53778 1 99 857 GLY . 53778 1 100 858 ASP . 53778 1 101 859 LYS . 53778 1 102 860 ASN . 53778 1 103 861 PHE . 53778 1 104 862 ILE . 53778 1 105 863 THR . 53778 1 106 864 ALA . 53778 1 107 865 GLU . 53778 1 108 866 GLU . 53778 1 109 867 LEU . 53778 1 110 868 ARG . 53778 1 111 869 ARG . 53778 1 112 870 GLU . 53778 1 113 871 LEU . 53778 1 114 872 PRO . 53778 1 115 873 PRO . 53778 1 116 874 ASP . 53778 1 117 875 GLN . 53778 1 118 876 ALA . 53778 1 119 877 GLU . 53778 1 120 878 TYR . 53778 1 121 879 CYS . 53778 1 122 880 ILE . 53778 1 123 881 ALA . 53778 1 124 882 ARG . 53778 1 125 883 MET . 53778 1 126 884 ALA . 53778 1 127 885 PRO . 53778 1 128 886 TYR . 53778 1 129 887 GLN . 53778 1 130 888 GLY . 53778 1 131 889 PRO . 53778 1 132 890 ASP . 53778 1 133 891 ALA . 53778 1 134 892 VAL . 53778 1 135 893 PRO . 53778 1 136 894 GLY . 53778 1 137 895 ALA . 53778 1 138 896 LEU . 53778 1 139 897 ASP . 53778 1 140 898 TYR . 53778 1 141 899 LYS . 53778 1 142 900 SER . 53778 1 143 901 PHE . 53778 1 144 902 SER . 53778 1 145 903 THR . 53778 1 146 904 ALA . 53778 1 147 905 LEU . 53778 1 148 906 TYR . 53778 1 149 907 GLY . 53778 1 150 908 GLU . 53778 1 151 909 SER . 53778 1 152 910 ASP . 53778 1 153 911 LEU . 53778 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 53778 1 . SER 2 2 53778 1 . SER 3 3 53778 1 . ILE 4 4 53778 1 . SER 5 5 53778 1 . GLN 6 6 53778 1 . GLU 7 7 53778 1 . GLN 8 8 53778 1 . MET 9 9 53778 1 . GLN 10 10 53778 1 . GLU 11 11 53778 1 . PHE 12 12 53778 1 . ARG 13 13 53778 1 . ALA 14 14 53778 1 . SER 15 15 53778 1 . PHE 16 16 53778 1 . ASN 17 17 53778 1 . HIS 18 18 53778 1 . PHE 19 19 53778 1 . ASP 20 20 53778 1 . LYS 21 21 53778 1 . ASP 22 22 53778 1 . HIS 23 23 53778 1 . GLY 24 24 53778 1 . GLY 25 25 53778 1 . ALA 26 26 53778 1 . LEU 27 27 53778 1 . GLY 28 28 53778 1 . PRO 29 29 53778 1 . GLU 30 30 53778 1 . GLU 31 31 53778 1 . PHE 32 32 53778 1 . LYS 33 33 53778 1 . ALA 34 34 53778 1 . CYS 35 35 53778 1 . LEU 36 36 53778 1 . ILE 37 37 53778 1 . SER 38 38 53778 1 . LEU 39 39 53778 1 . GLY 40 40 53778 1 . TYR 41 41 53778 1 . ASP 42 42 53778 1 . VAL 43 43 53778 1 . GLU 44 44 53778 1 . ASN 45 45 53778 1 . ASP 46 46 53778 1 . ARG 47 47 53778 1 . GLN 48 48 53778 1 . GLY 49 49 53778 1 . GLU 50 50 53778 1 . ALA 51 51 53778 1 . GLU 52 52 53778 1 . PHE 53 53 53778 1 . ASN 54 54 53778 1 . ARG 55 55 53778 1 . ILE 56 56 53778 1 . MET 57 57 53778 1 . SER 58 58 53778 1 . LEU 59 59 53778 1 . VAL 60 60 53778 1 . ASP 61 61 53778 1 . PRO 62 62 53778 1 . ASN 63 63 53778 1 . HIS 64 64 53778 1 . SER 65 65 53778 1 . GLY 66 66 53778 1 . LEU 67 67 53778 1 . VAL 68 68 53778 1 . THR 69 69 53778 1 . PHE 70 70 53778 1 . GLN 71 71 53778 1 . ALA 72 72 53778 1 . PHE 73 73 53778 1 . ILE 74 74 53778 1 . ASP 75 75 53778 1 . PHE 76 76 53778 1 . MET 77 77 53778 1 . SER 78 78 53778 1 . ARG 79 79 53778 1 . GLU 80 80 53778 1 . THR 81 81 53778 1 . THR 82 82 53778 1 . ASP 83 83 53778 1 . THR 84 84 53778 1 . ASP 85 85 53778 1 . THR 86 86 53778 1 . ALA 87 87 53778 1 . ASP 88 88 53778 1 . GLN 89 89 53778 1 . VAL 90 90 53778 1 . ILE 91 91 53778 1 . ALA 92 92 53778 1 . SER 93 93 53778 1 . PHE 94 94 53778 1 . LYS 95 95 53778 1 . VAL 96 96 53778 1 . LEU 97 97 53778 1 . ALA 98 98 53778 1 . GLY 99 99 53778 1 . ASP 100 100 53778 1 . LYS 101 101 53778 1 . ASN 102 102 53778 1 . PHE 103 103 53778 1 . ILE 104 104 53778 1 . THR 105 105 53778 1 . ALA 106 106 53778 1 . GLU 107 107 53778 1 . GLU 108 108 53778 1 . LEU 109 109 53778 1 . ARG 110 110 53778 1 . ARG 111 111 53778 1 . GLU 112 112 53778 1 . LEU 113 113 53778 1 . PRO 114 114 53778 1 . PRO 115 115 53778 1 . ASP 116 116 53778 1 . GLN 117 117 53778 1 . ALA 118 118 53778 1 . GLU 119 119 53778 1 . TYR 120 120 53778 1 . CYS 121 121 53778 1 . ILE 122 122 53778 1 . ALA 123 123 53778 1 . ARG 124 124 53778 1 . MET 125 125 53778 1 . ALA 126 126 53778 1 . PRO 127 127 53778 1 . TYR 128 128 53778 1 . GLN 129 129 53778 1 . GLY 130 130 53778 1 . PRO 131 131 53778 1 . ASP 132 132 53778 1 . ALA 133 133 53778 1 . VAL 134 134 53778 1 . PRO 135 135 53778 1 . GLY 136 136 53778 1 . ALA 137 137 53778 1 . LEU 138 138 53778 1 . ASP 139 139 53778 1 . TYR 140 140 53778 1 . LYS 141 141 53778 1 . SER 142 142 53778 1 . PHE 143 143 53778 1 . SER 144 144 53778 1 . THR 145 145 53778 1 . ALA 146 146 53778 1 . LEU 147 147 53778 1 . TYR 148 148 53778 1 . GLY 149 149 53778 1 . GLU 150 150 53778 1 . SER 151 151 53778 1 . ASP 152 152 53778 1 . LEU 153 153 53778 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 53778 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name entity_CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 53778 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 53778 2 CA 'Three letter code' 53778 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CA $chem_comp_CA 53778 2 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 53778 _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 . 53778 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 53778 _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 . . . 53778 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 53778 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 53778 CA InChI=1S/Ca/q+2 InChI InChI 1.03 53778 CA [Ca++] SMILES CACTVS 3.341 53778 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 53778 CA [Ca+2] SMILES ACDLabs 10.04 53778 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 53778 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 53778 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 53778 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 53778 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 53778 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53778 _Sample.ID 1 _Sample.Name ACTN4_CaMD_holo _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. Calcium chloride was titrated to the protein sample to the final 18.75 mM calcium concentration and 0.75 mM protein concentration, corresponding to 25.0 molar equivalents of Ca2+ with respect to the protein concentration. ; _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-like domain of human a-actinin-4' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.75 . . mM . . . . 53778 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 53778 1 3 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 53778 1 4 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 53778 1 5 'Calcium chloride' 'natural abundance' . . . . . . 18.75 . . mM . . . . 53778 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 53778 1 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 53778 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 53778 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'ACTN4_CaMD_holo 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' 170 . mM 53778 1 pH 7.4 . pH 53778 1 pressure 1 . atm 53778 1 temperature 298 . K 53778 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53778 _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' . 53778 1 'peak picking' . 53778 1 processing . 53778 1 'structure solution' . 53778 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53778 _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 . 53778 2 'structure solution' . 53778 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53778 _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' . 53778 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 53778 _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' . 53778 4 'data analysis' . 53778 4 'peak picking' . 53778 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 53778 _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 . 53778 5 'data analysis' . 53778 5 processing . 53778 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53778 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance Neo 800 MHz NMR spectrometer' _NMR_spectrometer.Details 'Equipped with a proton-optimized TCI (triple resonance NMR inverse) cryoprobe.' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 53778 _NMR_spectrometer.ID 2 _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 53778 _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_1 . . . . . . . . . . . . . . . . . 53778 1 2 '2D 1H-15N HSQC' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53778 1 3 '3D HNCACB' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53778 1 4 '3D HN(CO)CACB' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53778 1 5 '3D HNCO' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53778 1 6 '3D HNCACO' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53778 1 7 '3D HBHA(CO)NH' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53778 1 8 '3D 1H-15N NOESY' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53778 1 9 '2D 1H-13C HSQC' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53778 1 10 '3D CCH-TOCSY' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53778 1 11 '3D HCCH-TOCSY' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53778 1 12 '3D 1H-13C NOESY' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53778 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)' . . 53778 1 2 '2D 1H-15N HSQC' 2D_15N_HSQC.zip . 'Time-domain (raw spectral data)' . . 53778 1 3 '3D HNCACB' 3D_HNCACB.zip . 'Time-domain (raw spectral data)' . . 53778 1 4 '3D HN(CO)CACB' 3D_HNCOCACB.zip . 'Time-domain (raw spectral data)' . . 53778 1 5 '3D HNCO' 3D_HNCO.zip . 'Time-domain (raw spectral data)' . . 53778 1 6 '3D HNCACO' 3D_HNCACO.zip . 'Time-domain (raw spectral data)' . . 53778 1 7 '3D HBHA(CO)NH' 3D_HBHACONH.zip . 'Time-domain (raw spectral data)' . . 53778 1 8 '3D 1H-15N NOESY' 3D_15N_HSQC_NOESY.zip . 'Time-domain (raw spectral data)' . . 53778 1 9 '2D 1H-13C HSQC' 2D_13C_HSQC.zip . 'Time-domain (raw spectral data)' . . 53778 1 10 '3D CCH-TOCSY' 3D_CCH_TOCSY.zip . 'Time-domain (raw spectral data)' . . 53778 1 11 '3D HCCH-TOCSY' 3D_HCCH_TOCSY.zip . 'Time-domain (raw spectral data)' . . 53778 1 12 '3D 1H-13C NOESY' 3D_13C_HSQC_NOESY.zip . 'Time-domain (raw spectral data)' . . 53778 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 53778 _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 . . . . . 53778 1 H 1 DSS 'methyl protons' . . . . ppm 0.072 external direct 1 . . . . . 53778 1 N 15 DSS 'methyl protons' . . . . ppm 0.072 external indirect . . . . . . 53778 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 53778 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'ACTN4_CaMD_holo 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' . . . 53778 1 3 '3D HNCACB' . . . 53778 1 4 '3D HN(CO)CACB' . . . 53778 1 5 '3D HNCO' . . . 53778 1 6 '3D HNCACO' . . . 53778 1 7 '3D HBHA(CO)NH' . . . 53778 1 8 '3D 1H-15N NOESY' . . . 53778 1 9 '2D 1H-13C HSQC' . . . 53778 1 10 '3D CCH-TOCSY' . . . 53778 1 11 '3D HCCH-TOCSY' . . . 53778 1 12 '3D 1H-13C NOESY' . . . 53778 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 . . 53778 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 8.588 0.010 . . . . . . . 759 G H . 53778 1 2 . 1 . 1 1 1 GLY HA2 H 1 3.154 0.010 . . . . . . . 759 G HA2 . 53778 1 3 . 1 . 1 1 1 GLY HA3 H 1 3.498 0.000 . . . . . . . 759 G HA3 . 53778 1 4 . 1 . 1 1 1 GLY C C 13 176.423 0.000 . . . . . . . 759 G C . 53778 1 5 . 1 . 1 1 1 GLY CA C 13 50.262 0.000 . . . . . . . 759 G CA . 53778 1 6 . 1 . 1 1 1 GLY N N 15 109.745 0.010 . . . . . . . 759 G N . 53778 1 7 . 1 . 1 2 2 SER H H 1 8.152 0.000 . . . . . . . 760 S H . 53778 1 8 . 1 . 1 2 2 SER HA H 1 4.503 0.010 . . . . . . . 760 S HA . 53778 1 9 . 1 . 1 2 2 SER HB2 H 1 3.864 0.010 . . . . . . . 760 S HB2 . 53778 1 10 . 1 . 1 2 2 SER HB3 H 1 4.100 0.010 . . . . . . . 760 S HB3 . 53778 1 11 . 1 . 1 2 2 SER C C 13 176.370 0.000 . . . . . . . 760 S C . 53778 1 12 . 1 . 1 2 2 SER CA C 13 58.061 0.000 . . . . . . . 760 S CA . 53778 1 13 . 1 . 1 2 2 SER CB C 13 64.244 0.010 . . . . . . . 760 S CB . 53778 1 14 . 1 . 1 2 2 SER N N 15 123.431 0.000 . . . . . . . 760 S N . 53778 1 15 . 1 . 1 3 3 SER H H 1 8.374 0.000 . . . . . . . 761 S H . 53778 1 16 . 1 . 1 3 3 SER HA H 1 4.557 0.000 . . . . . . . 761 S HA . 53778 1 17 . 1 . 1 3 3 SER HB2 H 1 3.865 0.000 . . . . . . . 761 S HB2 . 53778 1 18 . 1 . 1 3 3 SER HB3 H 1 3.867 0.000 . . . . . . . 761 S HB3 . 53778 1 19 . 1 . 1 3 3 SER C C 13 173.980 0.000 . . . . . . . 761 S C . 53778 1 20 . 1 . 1 3 3 SER CA C 13 58.352 0.000 . . . . . . . 761 S CA . 53778 1 21 . 1 . 1 3 3 SER CB C 13 64.194 0.000 . . . . . . . 761 S CB . 53778 1 22 . 1 . 1 3 3 SER N N 15 119.474 0.000 . . . . . . . 761 S N . 53778 1 23 . 1 . 1 4 4 ILE H H 1 8.146 0.000 . . . . . . . 762 I H . 53778 1 24 . 1 . 1 4 4 ILE HA H 1 4.389 0.000 . . . . . . . 762 I HA . 53778 1 25 . 1 . 1 4 4 ILE HB H 1 1.851 0.000 . . . . . . . 762 I HB . 53778 1 26 . 1 . 1 4 4 ILE HG12 H 1 1.216 0.000 . . . . . . . 762 I HG12 . 53778 1 27 . 1 . 1 4 4 ILE HG13 H 1 1.573 0.000 . . . . . . . 762 I HG13 . 53778 1 28 . 1 . 1 4 4 ILE HG21 H 1 1.027 0.000 . . . . . . . 762 I QG2 . 53778 1 29 . 1 . 1 4 4 ILE HG22 H 1 1.027 0.000 . . . . . . . 762 I QG2 . 53778 1 30 . 1 . 1 4 4 ILE HG23 H 1 1.027 0.000 . . . . . . . 762 I QG2 . 53778 1 31 . 1 . 1 4 4 ILE HD11 H 1 0.891 0.000 . . . . . . . 762 I QD1 . 53778 1 32 . 1 . 1 4 4 ILE HD12 H 1 0.891 0.000 . . . . . . . 762 I QD1 . 53778 1 33 . 1 . 1 4 4 ILE HD13 H 1 0.891 0.000 . . . . . . . 762 I QD1 . 53778 1 34 . 1 . 1 4 4 ILE C C 13 176.140 0.000 . . . . . . . 762 I C . 53778 1 35 . 1 . 1 4 4 ILE CA C 13 60.612 0.000 . . . . . . . 762 I CA . 53778 1 36 . 1 . 1 4 4 ILE CB C 13 39.178 0.000 . . . . . . . 762 I CB . 53778 1 37 . 1 . 1 4 4 ILE CG1 C 13 27.234 0.000 . . . . . . . 762 I CG1 . 53778 1 38 . 1 . 1 4 4 ILE CG2 C 13 17.980 0.000 . . . . . . . 762 I CG2 . 53778 1 39 . 1 . 1 4 4 ILE CD1 C 13 13.422 0.000 . . . . . . . 762 I CD1 . 53778 1 40 . 1 . 1 4 4 ILE N N 15 122.529 0.000 . . . . . . . 762 I N . 53778 1 41 . 1 . 1 5 5 SER H H 1 8.866 0.000 . . . . . . . 763 S H . 53778 1 42 . 1 . 1 5 5 SER HA H 1 4.781 0.000 . . . . . . . 763 S HA . 53778 1 43 . 1 . 1 5 5 SER HB2 H 1 4.054 0.010 . . . . . . . 763 S HB2 . 53778 1 44 . 1 . 1 5 5 SER HB3 H 1 4.421 0.000 . . . . . . . 763 S HB3 . 53778 1 45 . 1 . 1 5 5 SER C C 13 175.074 0.010 . . . . . . . 763 S C . 53778 1 46 . 1 . 1 5 5 SER CA C 13 56.473 0.010 . . . . . . . 763 S CA . 53778 1 47 . 1 . 1 5 5 SER CB C 13 65.494 0.000 . . . . . . . 763 S CB . 53778 1 48 . 1 . 1 5 5 SER N N 15 123.389 0.000 . . . . . . . 763 S N . 53778 1 49 . 1 . 1 6 6 GLN H H 1 7.877 0.000 . . . . . . . 764 Q H . 53778 1 50 . 1 . 1 6 6 GLN HA H 1 4.231 0.010 . . . . . . . 764 Q HA . 53778 1 51 . 1 . 1 6 6 GLN HB2 H 1 1.640 0.010 . . . . . . . 764 Q HB2 . 53778 1 52 . 1 . 1 6 6 GLN HB3 H 1 2.447 0.010 . . . . . . . 764 Q HB3 . 53778 1 53 . 1 . 1 6 6 GLN HG2 H 1 2.117 0.010 . . . . . . . 764 Q HG2 . 53778 1 54 . 1 . 1 6 6 GLN HG3 H 1 2.883 0.010 . . . . . . . 764 Q HG3 . 53778 1 55 . 1 . 1 6 6 GLN HE21 H 1 7.066 0.000 . . . . . . . 764 Q HE21 . 53778 1 56 . 1 . 1 6 6 GLN HE22 H 1 7.588 0.000 . . . . . . . 764 Q HE22 . 53778 1 57 . 1 . 1 6 6 GLN C C 13 177.723 0.010 . . . . . . . 764 Q C . 53778 1 58 . 1 . 1 6 6 GLN CA C 13 58.661 0.010 . . . . . . . 764 Q CA . 53778 1 59 . 1 . 1 6 6 GLN CB C 13 28.820 0.000 . . . . . . . 764 Q CB . 53778 1 60 . 1 . 1 6 6 GLN CG C 13 34.116 0.000 . . . . . . . 764 Q CG . 53778 1 61 . 1 . 1 6 6 GLN N N 15 120.770 0.000 . . . . . . . 764 Q N . 53778 1 62 . 1 . 1 6 6 GLN NE2 N 15 112.296 0.000 . . . . . . . 764 Q NE2 . 53778 1 63 . 1 . 1 7 7 GLU H H 1 8.479 0.000 . . . . . . . 765 E H . 53778 1 64 . 1 . 1 7 7 GLU HA H 1 4.086 0.010 . . . . . . . 765 E HA . 53778 1 65 . 1 . 1 7 7 GLU HB2 H 1 0.999 0.010 . . . . . . . 765 E HB2 . 53778 1 66 . 1 . 1 7 7 GLU HB3 H 1 2.093 0.010 . . . . . . . 765 E HB3 . 53778 1 67 . 1 . 1 7 7 GLU HG2 H 1 1.664 0.010 . . . . . . . 765 E HG2 . 53778 1 68 . 1 . 1 7 7 GLU HG3 H 1 2.701 0.010 . . . . . . . 765 E HG3 . 53778 1 69 . 1 . 1 7 7 GLU C C 13 177.839 0.010 . . . . . . . 765 E C . 53778 1 70 . 1 . 1 7 7 GLU CA C 13 58.482 0.000 . . . . . . . 765 E CA . 53778 1 71 . 1 . 1 7 7 GLU CB C 13 29.071 0.000 . . . . . . . 765 E CB . 53778 1 72 . 1 . 1 7 7 GLU CG C 13 36.516 0.000 . . . . . . . 765 E CG . 53778 1 73 . 1 . 1 7 7 GLU N N 15 118.931 0.010 . . . . . . . 765 E N . 53778 1 74 . 1 . 1 8 8 GLN H H 1 8.476 0.000 . . . . . . . 766 Q H . 53778 1 75 . 1 . 1 8 8 GLN HA H 1 3.819 0.000 . . . . . . . 766 Q HA . 53778 1 76 . 1 . 1 8 8 GLN HB2 H 1 1.637 0.000 . . . . . . . 766 Q HB2 . 53778 1 77 . 1 . 1 8 8 GLN HB3 H 1 1.649 0.000 . . . . . . . 766 Q HB3 . 53778 1 78 . 1 . 1 8 8 GLN HG2 H 1 2.061 0.000 . . . . . . . 766 Q HG2 . 53778 1 79 . 1 . 1 8 8 GLN HG3 H 1 2.063 0.000 . . . . . . . 766 Q HG3 . 53778 1 80 . 1 . 1 8 8 GLN HE21 H 1 6.942 0.010 . . . . . . . 766 Q HE21 . 53778 1 81 . 1 . 1 8 8 GLN HE22 H 1 7.204 0.000 . . . . . . . 766 Q HE22 . 53778 1 82 . 1 . 1 8 8 GLN C C 13 178.677 0.010 . . . . . . . 766 Q C . 53778 1 83 . 1 . 1 8 8 GLN CA C 13 58.434 0.000 . . . . . . . 766 Q CA . 53778 1 84 . 1 . 1 8 8 GLN CB C 13 29.000 0.000 . . . . . . . 766 Q CB . 53778 1 85 . 1 . 1 8 8 GLN CG C 13 34.939 0.000 . . . . . . . 766 Q CG . 53778 1 86 . 1 . 1 8 8 GLN N N 15 118.958 0.000 . . . . . . . 766 Q N . 53778 1 87 . 1 . 1 8 8 GLN NE2 N 15 112.946 0.000 . . . . . . . 766 Q NE2 . 53778 1 88 . 1 . 1 9 9 MET H H 1 8.475 0.000 . . . . . . . 767 M H . 53778 1 89 . 1 . 1 9 9 MET HA H 1 4.285 0.000 . . . . . . . 767 M HA . 53778 1 90 . 1 . 1 9 9 MET HB2 H 1 2.240 0.010 . . . . . . . 767 M HB2 . 53778 1 91 . 1 . 1 9 9 MET HB3 H 1 2.260 0.010 . . . . . . . 767 M HB3 . 53778 1 92 . 1 . 1 9 9 MET HG2 H 1 2.715 0.000 . . . . . . . 767 M HG2 . 53778 1 93 . 1 . 1 9 9 MET HG3 H 1 2.719 0.000 . . . . . . . 767 M HG3 . 53778 1 94 . 1 . 1 9 9 MET HE1 H 1 2.189 0.010 . . . . . . . 767 M HE# . 53778 1 95 . 1 . 1 9 9 MET HE2 H 1 2.189 0.010 . . . . . . . 767 M HE# . 53778 1 96 . 1 . 1 9 9 MET HE3 H 1 2.189 0.010 . . . . . . . 767 M HE# . 53778 1 97 . 1 . 1 9 9 MET C C 13 178.800 0.000 . . . . . . . 767 M C . 53778 1 98 . 1 . 1 9 9 MET CA C 13 58.363 0.000 . . . . . . . 767 M CA . 53778 1 99 . 1 . 1 9 9 MET CB C 13 30.980 0.000 . . . . . . . 767 M CB . 53778 1 100 . 1 . 1 9 9 MET CG C 13 32.648 0.000 . . . . . . . 767 M CG . 53778 1 101 . 1 . 1 9 9 MET CE C 13 17.048 0.010 . . . . . . . 767 M CE . 53778 1 102 . 1 . 1 9 9 MET N N 15 118.981 0.000 . . . . . . . 767 M N . 53778 1 103 . 1 . 1 10 10 GLN H H 1 8.030 0.000 . . . . . . . 768 Q H . 53778 1 104 . 1 . 1 10 10 GLN HA H 1 4.145 0.000 . . . . . . . 768 Q HA . 53778 1 105 . 1 . 1 10 10 GLN HB2 H 1 2.263 0.010 . . . . . . . 768 Q HB2 . 53778 1 106 . 1 . 1 10 10 GLN HB3 H 1 3.098 0.000 . . . . . . . 768 Q HB3 . 53778 1 107 . 1 . 1 10 10 GLN HG2 H 1 2.474 0.010 . . . . . . . 768 Q HG2 . 53778 1 108 . 1 . 1 10 10 GLN HG3 H 1 2.563 0.000 . . . . . . . 768 Q HG3 . 53778 1 109 . 1 . 1 10 10 GLN HE21 H 1 6.905 0.010 . . . . . . . 768 Q HE21 . 53778 1 110 . 1 . 1 10 10 GLN HE22 H 1 7.492 0.010 . . . . . . . 768 Q HE22 . 53778 1 111 . 1 . 1 10 10 GLN C C 13 179.135 0.000 . . . . . . . 768 Q C . 53778 1 112 . 1 . 1 10 10 GLN CA C 13 58.989 0.000 . . . . . . . 768 Q CA . 53778 1 113 . 1 . 1 10 10 GLN CB C 13 28.078 0.000 . . . . . . . 768 Q CB . 53778 1 114 . 1 . 1 10 10 GLN CG C 13 33.833 0.000 . . . . . . . 768 Q CG . 53778 1 115 . 1 . 1 10 10 GLN N N 15 117.907 0.000 . . . . . . . 768 Q N . 53778 1 116 . 1 . 1 10 10 GLN NE2 N 15 111.702 0.000 . . . . . . . 768 Q NE2 . 53778 1 117 . 1 . 1 11 11 GLU H H 1 7.740 0.000 . . . . . . . 769 E H . 53778 1 118 . 1 . 1 11 11 GLU HA H 1 4.207 0.000 . . . . . . . 769 E HA . 53778 1 119 . 1 . 1 11 11 GLU HB2 H 1 2.079 0.000 . . . . . . . 769 E HB2 . 53778 1 120 . 1 . 1 11 11 GLU HB3 H 1 2.081 0.000 . . . . . . . 769 E HB3 . 53778 1 121 . 1 . 1 11 11 GLU HG2 H 1 1.646 0.000 . . . . . . . 769 E HG2 . 53778 1 122 . 1 . 1 11 11 GLU HG3 H 1 1.658 0.000 . . . . . . . 769 E HG3 . 53778 1 123 . 1 . 1 11 11 GLU C C 13 180.137 0.000 . . . . . . . 769 E C . 53778 1 124 . 1 . 1 11 11 GLU CA C 13 59.226 0.000 . . . . . . . 769 E CA . 53778 1 125 . 1 . 1 11 11 GLU CB C 13 29.235 0.000 . . . . . . . 769 E CB . 53778 1 126 . 1 . 1 11 11 GLU CG C 13 36.521 0.000 . . . . . . . 769 E CG . 53778 1 127 . 1 . 1 11 11 GLU N N 15 121.672 0.000 . . . . . . . 769 E N . 53778 1 128 . 1 . 1 12 12 PHE H H 1 8.828 0.000 . . . . . . . 770 F H . 53778 1 129 . 1 . 1 12 12 PHE HA H 1 5.059 0.000 . . . . . . . 770 F HA . 53778 1 130 . 1 . 1 12 12 PHE HB2 H 1 3.442 0.000 . . . . . . . 770 F HB2 . 53778 1 131 . 1 . 1 12 12 PHE HB3 H 1 3.549 0.000 . . . . . . . 770 F HB3 . 53778 1 132 . 1 . 1 12 12 PHE HD1 H 1 7.173 0.000 . . . . . . . 770 F HD1 . 53778 1 133 . 1 . 1 12 12 PHE HD2 H 1 7.235 0.010 . . . . . . . 770 F HD2 . 53778 1 134 . 1 . 1 12 12 PHE HE1 H 1 7.247 0.000 . . . . . . . 770 F HE1 . 53778 1 135 . 1 . 1 12 12 PHE HE2 H 1 7.253 0.000 . . . . . . . 770 F HE2 . 53778 1 136 . 1 . 1 12 12 PHE HZ H 1 7.700 0.000 . . . . . . . 770 F HZ . 53778 1 137 . 1 . 1 12 12 PHE C C 13 178.955 0.000 . . . . . . . 770 F C . 53778 1 138 . 1 . 1 12 12 PHE CA C 13 58.470 0.000 . . . . . . . 770 F CA . 53778 1 139 . 1 . 1 12 12 PHE CB C 13 37.970 0.000 . . . . . . . 770 F CB . 53778 1 140 . 1 . 1 12 12 PHE CD1 C 13 134.120 0.010 . . . . . . . 770 F CD1 . 53778 1 141 . 1 . 1 12 12 PHE CE1 C 13 129.960 0.000 . . . . . . . 770 F CE1 . 53778 1 142 . 1 . 1 12 12 PHE CZ C 13 132.120 0.000 . . . . . . . 770 F CZ . 53778 1 143 . 1 . 1 12 12 PHE N N 15 119.767 0.000 . . . . . . . 770 F N . 53778 1 144 . 1 . 1 13 13 ARG H H 1 8.955 0.000 . . . . . . . 771 R H . 53778 1 145 . 1 . 1 13 13 ARG HA H 1 4.163 0.000 . . . . . . . 771 R HA . 53778 1 146 . 1 . 1 13 13 ARG HB2 H 1 2.051 0.000 . . . . . . . 771 R HB2 . 53778 1 147 . 1 . 1 13 13 ARG HB3 H 1 2.059 0.000 . . . . . . . 771 R HB3 . 53778 1 148 . 1 . 1 13 13 ARG HG2 H 1 1.612 0.000 . . . . . . . 771 R HG2 . 53778 1 149 . 1 . 1 13 13 ARG HG3 H 1 1.641 0.000 . . . . . . . 771 R HG3 . 53778 1 150 . 1 . 1 13 13 ARG HD2 H 1 2.987 0.000 . . . . . . . 771 R HD2 . 53778 1 151 . 1 . 1 13 13 ARG HD3 H 1 2.998 0.000 . . . . . . . 771 R HD3 . 53778 1 152 . 1 . 1 13 13 ARG HE H 1 7.224 0.000 . . . . . . . 771 R HE . 53778 1 153 . 1 . 1 13 13 ARG C C 13 177.740 0.000 . . . . . . . 771 R C . 53778 1 154 . 1 . 1 13 13 ARG CA C 13 59.566 0.000 . . . . . . . 771 R CA . 53778 1 155 . 1 . 1 13 13 ARG CB C 13 29.840 0.000 . . . . . . . 771 R CB . 53778 1 156 . 1 . 1 13 13 ARG CG C 13 27.018 0.000 . . . . . . . 771 R CG . 53778 1 157 . 1 . 1 13 13 ARG CD C 13 42.816 0.000 . . . . . . . 771 R CD . 53778 1 158 . 1 . 1 13 13 ARG N N 15 120.788 0.000 . . . . . . . 771 R N . 53778 1 159 . 1 . 1 14 14 ALA H H 1 8.199 0.000 . . . . . . . 772 A H . 53778 1 160 . 1 . 1 14 14 ALA HA H 1 4.273 0.000 . . . . . . . 772 A HA . 53778 1 161 . 1 . 1 14 14 ALA HB1 H 1 1.636 0.000 . . . . . . . 772 A HB# . 53778 1 162 . 1 . 1 14 14 ALA HB2 H 1 1.636 0.000 . . . . . . . 772 A HB# . 53778 1 163 . 1 . 1 14 14 ALA HB3 H 1 1.636 0.000 . . . . . . . 772 A HB# . 53778 1 164 . 1 . 1 14 14 ALA C C 13 181.428 0.000 . . . . . . . 772 A C . 53778 1 165 . 1 . 1 14 14 ALA CA C 13 55.331 0.000 . . . . . . . 772 A CA . 53778 1 166 . 1 . 1 14 14 ALA CB C 13 17.957 0.000 . . . . . . . 772 A CB . 53778 1 167 . 1 . 1 14 14 ALA N N 15 121.422 0.000 . . . . . . . 772 A N . 53778 1 168 . 1 . 1 15 15 SER H H 1 8.406 0.000 . . . . . . . 773 S H . 53778 1 169 . 1 . 1 15 15 SER HA H 1 4.397 0.010 . . . . . . . 773 S HA . 53778 1 170 . 1 . 1 15 15 SER HB2 H 1 4.397 0.000 . . . . . . . 773 S HB2 . 53778 1 171 . 1 . 1 15 15 SER HB3 H 1 4.459 0.000 . . . . . . . 773 S HB3 . 53778 1 172 . 1 . 1 15 15 SER C C 13 175.500 0.000 . . . . . . . 773 S C . 53778 1 173 . 1 . 1 15 15 SER CA C 13 62.506 0.010 . . . . . . . 773 S CA . 53778 1 174 . 1 . 1 15 15 SER CB C 13 63.276 0.000 . . . . . . . 773 S CB . 53778 1 175 . 1 . 1 15 15 SER N N 15 115.518 0.000 . . . . . . . 773 S N . 53778 1 176 . 1 . 1 16 16 PHE H H 1 8.766 0.000 . . . . . . . 774 F H . 53778 1 177 . 1 . 1 16 16 PHE HA H 1 3.656 0.000 . . . . . . . 774 F HA . 53778 1 178 . 1 . 1 16 16 PHE HB2 H 1 3.014 0.000 . . . . . . . 774 F HB2 . 53778 1 179 . 1 . 1 16 16 PHE HB3 H 1 3.271 0.000 . . . . . . . 774 F HB3 . 53778 1 180 . 1 . 1 16 16 PHE HD1 H 1 6.687 0.000 . . . . . . . 774 F HD1 . 53778 1 181 . 1 . 1 16 16 PHE HD2 H 1 6.687 0.000 . . . . . . . 774 F HD2 . 53778 1 182 . 1 . 1 16 16 PHE HE1 H 1 7.017 0.010 . . . . . . . 774 F HE1 . 53778 1 183 . 1 . 1 16 16 PHE HE2 H 1 8.710 0.010 . . . . . . . 774 F HE2 . 53778 1 184 . 1 . 1 16 16 PHE HZ H 1 7.021 0.010 . . . . . . . 774 F HZ . 53778 1 185 . 1 . 1 16 16 PHE C C 13 176.815 0.000 . . . . . . . 774 F C . 53778 1 186 . 1 . 1 16 16 PHE CA C 13 62.528 0.000 . . . . . . . 774 F CA . 53778 1 187 . 1 . 1 16 16 PHE CB C 13 39.805 0.000 . . . . . . . 774 F CB . 53778 1 188 . 1 . 1 16 16 PHE CD1 C 13 132.309 0.000 . . . . . . . 774 F CD1 . 53778 1 189 . 1 . 1 16 16 PHE CE1 C 13 131.498 0.010 . . . . . . . 774 F CE1 . 53778 1 190 . 1 . 1 16 16 PHE CZ C 13 131.563 0.000 . . . . . . . 774 F CZ . 53778 1 191 . 1 . 1 16 16 PHE N N 15 121.884 0.000 . . . . . . . 774 F N . 53778 1 192 . 1 . 1 17 17 ASN H H 1 8.622 0.000 . . . . . . . 775 N H . 53778 1 193 . 1 . 1 17 17 ASN HA H 1 4.441 0.000 . . . . . . . 775 N HA . 53778 1 194 . 1 . 1 17 17 ASN HB2 H 1 2.977 0.000 . . . . . . . 775 N HB2 . 53778 1 195 . 1 . 1 17 17 ASN HB3 H 1 2.995 0.000 . . . . . . . 775 N HB3 . 53778 1 196 . 1 . 1 17 17 ASN HD21 H 1 6.867 0.000 . . . . . . . 775 N HD21 . 53778 1 197 . 1 . 1 17 17 ASN HD22 H 1 7.640 0.000 . . . . . . . 775 N HD22 . 53778 1 198 . 1 . 1 17 17 ASN C C 13 177.870 0.000 . . . . . . . 775 N C . 53778 1 199 . 1 . 1 17 17 ASN CA C 13 55.656 0.000 . . . . . . . 775 N CA . 53778 1 200 . 1 . 1 17 17 ASN CB C 13 37.925 0.000 . . . . . . . 775 N CB . 53778 1 201 . 1 . 1 17 17 ASN N N 15 113.801 0.000 . . . . . . . 775 N N . 53778 1 202 . 1 . 1 17 17 ASN ND2 N 15 110.868 0.000 . . . . . . . 775 N ND2 . 53778 1 203 . 1 . 1 18 18 HIS H H 1 8.053 0.000 . . . . . . . 776 H H . 53778 1 204 . 1 . 1 18 18 HIS HA H 1 4.120 0.000 . . . . . . . 776 H HA . 53778 1 205 . 1 . 1 18 18 HIS HB2 H 1 3.104 0.000 . . . . . . . 776 H HB2 . 53778 1 206 . 1 . 1 18 18 HIS HB3 H 1 3.129 0.000 . . . . . . . 776 H HB3 . 53778 1 207 . 1 . 1 18 18 HIS HD1 H 1 8.071 0.010 . . . . . . . 776 H HD1 . 53778 1 208 . 1 . 1 18 18 HIS HD2 H 1 5.240 0.000 . . . . . . . 776 H HD2 . 53778 1 209 . 1 . 1 18 18 HIS HE1 H 1 7.635 0.010 . . . . . . . 776 H HE1 . 53778 1 210 . 1 . 1 18 18 HIS C C 13 176.871 0.000 . . . . . . . 776 H C . 53778 1 211 . 1 . 1 18 18 HIS CA C 13 59.556 0.000 . . . . . . . 776 H CA . 53778 1 212 . 1 . 1 18 18 HIS CB C 13 29.848 0.000 . . . . . . . 776 H CB . 53778 1 213 . 1 . 1 18 18 HIS CD2 C 13 120.008 0.000 . . . . . . . 776 H CD2 . 53778 1 214 . 1 . 1 18 18 HIS CE1 C 13 138.267 0.010 . . . . . . . 776 H CE1 . 53778 1 215 . 1 . 1 18 18 HIS N N 15 119.506 0.000 . . . . . . . 776 H N . 53778 1 216 . 1 . 1 18 18 HIS ND1 N 15 114.037 0.010 . . . . . . . 776 H ND1 . 53778 1 217 . 1 . 1 19 19 PHE H H 1 7.629 0.000 . . . . . . . 777 F H . 53778 1 218 . 1 . 1 19 19 PHE HA H 1 4.121 0.000 . . . . . . . 777 F HA . 53778 1 219 . 1 . 1 19 19 PHE HB2 H 1 2.506 0.000 . . . . . . . 777 F HB2 . 53778 1 220 . 1 . 1 19 19 PHE HB3 H 1 3.315 0.000 . . . . . . . 777 F HB3 . 53778 1 221 . 1 . 1 19 19 PHE HD1 H 1 7.711 0.000 . . . . . . . 777 F HD1 . 53778 1 222 . 1 . 1 19 19 PHE HD2 H 1 7.715 0.000 . . . . . . . 777 F HD2 . 53778 1 223 . 1 . 1 19 19 PHE HE1 H 1 7.271 0.010 . . . . . . . 777 F HE1 . 53778 1 224 . 1 . 1 19 19 PHE HE2 H 1 7.297 0.000 . . . . . . . 777 F HE2 . 53778 1 225 . 1 . 1 19 19 PHE HZ H 1 6.874 0.010 . . . . . . . 777 F HZ . 53778 1 226 . 1 . 1 19 19 PHE C C 13 175.353 0.000 . . . . . . . 777 F C . 53778 1 227 . 1 . 1 19 19 PHE CA C 13 60.905 0.000 . . . . . . . 777 F CA . 53778 1 228 . 1 . 1 19 19 PHE CB C 13 39.041 0.000 . . . . . . . 777 F CB . 53778 1 229 . 1 . 1 19 19 PHE CD1 C 13 132.866 0.000 . . . . . . . 777 F CD1 . 53778 1 230 . 1 . 1 19 19 PHE CE1 C 13 133.447 0.000 . . . . . . . 777 F CE1 . 53778 1 231 . 1 . 1 19 19 PHE CZ C 13 132.928 0.000 . . . . . . . 777 F CZ . 53778 1 232 . 1 . 1 19 19 PHE N N 15 113.589 0.000 . . . . . . . 777 F N . 53778 1 233 . 1 . 1 20 20 ASP H H 1 7.448 0.000 . . . . . . . 778 D H . 53778 1 234 . 1 . 1 20 20 ASP HA H 1 4.520 0.000 . . . . . . . 778 D HA . 53778 1 235 . 1 . 1 20 20 ASP HB2 H 1 1.883 0.000 . . . . . . . 778 D HB2 . 53778 1 236 . 1 . 1 20 20 ASP HB3 H 1 2.770 0.000 . . . . . . . 778 D HB3 . 53778 1 237 . 1 . 1 20 20 ASP C C 13 177.076 0.000 . . . . . . . 778 D C . 53778 1 238 . 1 . 1 20 20 ASP CA C 13 52.510 0.000 . . . . . . . 778 D CA . 53778 1 239 . 1 . 1 20 20 ASP CB C 13 38.409 0.000 . . . . . . . 778 D CB . 53778 1 240 . 1 . 1 20 20 ASP N N 15 120.988 0.000 . . . . . . . 778 D N . 53778 1 241 . 1 . 1 21 21 LYS H H 1 7.811 0.000 . . . . . . . 779 K H . 53778 1 242 . 1 . 1 21 21 LYS HA H 1 3.749 0.000 . . . . . . . 779 K HA . 53778 1 243 . 1 . 1 21 21 LYS HB2 H 1 1.806 0.000 . . . . . . . 779 K HB2 . 53778 1 244 . 1 . 1 21 21 LYS HB3 H 1 1.814 0.000 . . . . . . . 779 K HB3 . 53778 1 245 . 1 . 1 21 21 LYS HG2 H 1 1.448 0.000 . . . . . . . 779 K HG2 . 53778 1 246 . 1 . 1 21 21 LYS HG3 H 1 1.516 0.000 . . . . . . . 779 K HG3 . 53778 1 247 . 1 . 1 21 21 LYS HD2 H 1 1.650 0.000 . . . . . . . 779 K HD2 . 53778 1 248 . 1 . 1 21 21 LYS HD3 H 1 1.666 0.000 . . . . . . . 779 K HD3 . 53778 1 249 . 1 . 1 21 21 LYS HE2 H 1 2.934 0.000 . . . . . . . 779 K HE2 . 53778 1 250 . 1 . 1 21 21 LYS HE3 H 1 2.966 0.000 . . . . . . . 779 K HE3 . 53778 1 251 . 1 . 1 21 21 LYS C C 13 177.036 0.000 . . . . . . . 779 K C . 53778 1 252 . 1 . 1 21 21 LYS CA C 13 58.479 0.000 . . . . . . . 779 K CA . 53778 1 253 . 1 . 1 21 21 LYS CB C 13 32.646 0.000 . . . . . . . 779 K CB . 53778 1 254 . 1 . 1 21 21 LYS CG C 13 24.989 0.000 . . . . . . . 779 K CG . 53778 1 255 . 1 . 1 21 21 LYS CD C 13 28.841 0.000 . . . . . . . 779 K CD . 53778 1 256 . 1 . 1 21 21 LYS CE C 13 42.420 0.000 . . . . . . . 779 K CE . 53778 1 257 . 1 . 1 21 21 LYS N N 15 125.461 0.000 . . . . . . . 779 K N . 53778 1 258 . 1 . 1 22 22 ASP H H 1 8.177 0.000 . . . . . . . 780 D H . 53778 1 259 . 1 . 1 22 22 ASP HA H 1 4.435 0.000 . . . . . . . 780 D HA . 53778 1 260 . 1 . 1 22 22 ASP HB2 H 1 2.554 0.000 . . . . . . . 780 D HB2 . 53778 1 261 . 1 . 1 22 22 ASP HB3 H 1 2.923 0.000 . . . . . . . 780 D HB3 . 53778 1 262 . 1 . 1 22 22 ASP C C 13 176.328 0.000 . . . . . . . 780 D C . 53778 1 263 . 1 . 1 22 22 ASP CA C 13 52.703 0.000 . . . . . . . 780 D CA . 53778 1 264 . 1 . 1 22 22 ASP CB C 13 39.652 0.000 . . . . . . . 780 D CB . 53778 1 265 . 1 . 1 22 22 ASP N N 15 113.362 0.000 . . . . . . . 780 D N . 53778 1 266 . 1 . 1 23 23 HIS H H 1 7.887 0.000 . . . . . . . 781 H H . 53778 1 267 . 1 . 1 23 23 HIS HA H 1 4.416 0.010 . . . . . . . 781 H HA . 53778 1 268 . 1 . 1 23 23 HIS HB2 H 1 3.336 0.000 . . . . . . . 781 H HB2 . 53778 1 269 . 1 . 1 23 23 HIS HB3 H 1 3.377 0.000 . . . . . . . 781 H HB3 . 53778 1 270 . 1 . 1 23 23 HIS HD1 H 1 4.794 0.010 . . . . . . . 781 H HD1 . 53778 1 271 . 1 . 1 23 23 HIS HD2 H 1 7.116 0.000 . . . . . . . 781 H HD2 . 53778 1 272 . 1 . 1 23 23 HIS HE1 H 1 8.151 0.010 . . . . . . . 781 H HE1 . 53778 1 273 . 1 . 1 23 23 HIS C C 13 175.476 0.000 . . . . . . . 781 H C . 53778 1 274 . 1 . 1 23 23 HIS CA C 13 56.523 0.000 . . . . . . . 781 H CA . 53778 1 275 . 1 . 1 23 23 HIS CB C 13 26.579 0.000 . . . . . . . 781 H CB . 53778 1 276 . 1 . 1 23 23 HIS CD2 C 13 120.525 0.000 . . . . . . . 781 H CD2 . 53778 1 277 . 1 . 1 23 23 HIS CE1 C 13 137.119 0.010 . . . . . . . 781 H CE1 . 53778 1 278 . 1 . 1 23 23 HIS N N 15 114.943 0.000 . . . . . . . 781 H N . 53778 1 279 . 1 . 1 23 23 HIS ND1 N 15 114.887 0.010 . . . . . . . 781 H ND1 . 53778 1 280 . 1 . 1 24 24 GLY H H 1 7.902 0.000 . . . . . . . 782 G H . 53778 1 281 . 1 . 1 24 24 GLY HA2 H 1 3.990 0.000 . . . . . . . 782 G HA2 . 53778 1 282 . 1 . 1 24 24 GLY HA3 H 1 4.223 0.000 . . . . . . . 782 G HA3 . 53778 1 283 . 1 . 1 24 24 GLY C C 13 176.393 0.000 . . . . . . . 782 G C . 53778 1 284 . 1 . 1 24 24 GLY CA C 13 46.378 0.000 . . . . . . . 782 G CA . 53778 1 285 . 1 . 1 24 24 GLY N N 15 106.350 0.000 . . . . . . . 782 G N . 53778 1 286 . 1 . 1 25 25 GLY H H 1 10.812 0.000 . . . . . . . 783 G H . 53778 1 287 . 1 . 1 25 25 GLY HA2 H 1 3.705 0.000 . . . . . . . 783 G HA2 . 53778 1 288 . 1 . 1 25 25 GLY HA3 H 1 4.401 0.000 . . . . . . . 783 G HA3 . 53778 1 289 . 1 . 1 25 25 GLY C C 13 173.044 0.000 . . . . . . . 783 G C . 53778 1 290 . 1 . 1 25 25 GLY CA C 13 45.459 0.000 . . . . . . . 783 G CA . 53778 1 291 . 1 . 1 25 25 GLY N N 15 112.914 0.000 . . . . . . . 783 G N . 53778 1 292 . 1 . 1 26 26 ALA H H 1 7.392 0.000 . . . . . . . 784 A H . 53778 1 293 . 1 . 1 26 26 ALA HA H 1 4.945 0.000 . . . . . . . 784 A HA . 53778 1 294 . 1 . 1 26 26 ALA HB1 H 1 1.323 0.000 . . . . . . . 784 A HB# . 53778 1 295 . 1 . 1 26 26 ALA HB2 H 1 1.323 0.000 . . . . . . . 784 A HB# . 53778 1 296 . 1 . 1 26 26 ALA HB3 H 1 1.323 0.000 . . . . . . . 784 A HB# . 53778 1 297 . 1 . 1 26 26 ALA C C 13 175.309 0.000 . . . . . . . 784 A C . 53778 1 298 . 1 . 1 26 26 ALA CA C 13 51.340 0.000 . . . . . . . 784 A CA . 53778 1 299 . 1 . 1 26 26 ALA CB C 13 22.824 0.000 . . . . . . . 784 A CB . 53778 1 300 . 1 . 1 26 26 ALA N N 15 118.391 0.000 . . . . . . . 784 A N . 53778 1 301 . 1 . 1 27 27 LEU H H 1 9.054 0.000 . . . . . . . 785 L H . 53778 1 302 . 1 . 1 27 27 LEU HA H 1 5.514 0.000 . . . . . . . 785 L HA . 53778 1 303 . 1 . 1 27 27 LEU HB2 H 1 1.285 0.000 . . . . . . . 785 L HB2 . 53778 1 304 . 1 . 1 27 27 LEU HB3 H 1 1.777 0.000 . . . . . . . 785 L HB3 . 53778 1 305 . 1 . 1 27 27 LEU HG H 1 1.242 0.000 . . . . . . . 785 L HG . 53778 1 306 . 1 . 1 27 27 LEU HD11 H 1 0.172 0.000 . . . . . . . 785 L QD1 . 53778 1 307 . 1 . 1 27 27 LEU HD12 H 1 0.172 0.000 . . . . . . . 785 L QD1 . 53778 1 308 . 1 . 1 27 27 LEU HD13 H 1 0.172 0.000 . . . . . . . 785 L QD1 . 53778 1 309 . 1 . 1 27 27 LEU HD21 H 1 0.580 0.000 . . . . . . . 785 L QD2 . 53778 1 310 . 1 . 1 27 27 LEU HD22 H 1 0.580 0.000 . . . . . . . 785 L QD2 . 53778 1 311 . 1 . 1 27 27 LEU HD23 H 1 0.580 0.000 . . . . . . . 785 L QD2 . 53778 1 312 . 1 . 1 27 27 LEU C C 13 177.370 0.000 . . . . . . . 785 L C . 53778 1 313 . 1 . 1 27 27 LEU CA C 13 52.502 0.000 . . . . . . . 785 L CA . 53778 1 314 . 1 . 1 27 27 LEU CB C 13 42.105 0.000 . . . . . . . 785 L CB . 53778 1 315 . 1 . 1 27 27 LEU CG C 13 25.809 0.000 . . . . . . . 785 L CG . 53778 1 316 . 1 . 1 27 27 LEU CD1 C 13 21.662 0.000 . . . . . . . 785 L CD1 . 53778 1 317 . 1 . 1 27 27 LEU CD2 C 13 26.931 0.000 . . . . . . . 785 L CD2 . 53778 1 318 . 1 . 1 27 27 LEU N N 15 123.185 0.000 . . . . . . . 785 L N . 53778 1 319 . 1 . 1 28 28 GLY H H 1 8.669 0.000 . . . . . . . 786 G H . 53778 1 320 . 1 . 1 28 28 GLY HA2 H 1 4.023 0.000 . . . . . . . 786 G HA2 . 53778 1 321 . 1 . 1 28 28 GLY HA3 H 1 4.756 0.000 . . . . . . . 786 G HA3 . 53778 1 322 . 1 . 1 28 28 GLY C C 13 172.945 0.000 . . . . . . . 786 G C . 53778 1 323 . 1 . 1 28 28 GLY CA C 13 44.368 0.000 . . . . . . . 786 G CA . 53778 1 324 . 1 . 1 28 28 GLY N N 15 111.809 0.000 . . . . . . . 786 G N . 53778 1 325 . 1 . 1 29 29 PRO HA H 1 4.362 0.000 . . . . . . . 787 P HA . 53778 1 326 . 1 . 1 29 29 PRO HB2 H 1 2.177 0.000 . . . . . . . 787 P HB2 . 53778 1 327 . 1 . 1 29 29 PRO HB3 H 1 2.580 0.000 . . . . . . . 787 P HB3 . 53778 1 328 . 1 . 1 29 29 PRO HG2 H 1 2.326 0.000 . . . . . . . 787 P HG2 . 53778 1 329 . 1 . 1 29 29 PRO HG3 H 1 2.328 0.000 . . . . . . . 787 P HG3 . 53778 1 330 . 1 . 1 29 29 PRO HD2 H 1 3.766 0.000 . . . . . . . 787 P HD2 . 53778 1 331 . 1 . 1 29 29 PRO HD3 H 1 4.089 0.000 . . . . . . . 787 P HD3 . 53778 1 332 . 1 . 1 29 29 PRO C C 13 178.777 0.000 . . . . . . . 787 P C . 53778 1 333 . 1 . 1 29 29 PRO CA C 13 67.175 0.000 . . . . . . . 787 P CA . 53778 1 334 . 1 . 1 29 29 PRO CB C 13 32.089 0.000 . . . . . . . 787 P CB . 53778 1 335 . 1 . 1 29 29 PRO CG C 13 28.410 0.000 . . . . . . . 787 P CG . 53778 1 336 . 1 . 1 29 29 PRO CD C 13 49.046 0.000 . . . . . . . 787 P CD . 53778 1 337 . 1 . 1 30 30 GLU H H 1 8.723 0.000 . . . . . . . 788 E H . 53778 1 338 . 1 . 1 30 30 GLU HA H 1 4.018 0.000 . . . . . . . 788 E HA . 53778 1 339 . 1 . 1 30 30 GLU HB2 H 1 1.263 0.000 . . . . . . . 788 E HB2 . 53778 1 340 . 1 . 1 30 30 GLU HB3 H 1 2.100 0.000 . . . . . . . 788 E HB3 . 53778 1 341 . 1 . 1 30 30 GLU HG2 H 1 2.357 0.000 . . . . . . . 788 E HG2 . 53778 1 342 . 1 . 1 30 30 GLU HG3 H 1 2.780 0.010 . . . . . . . 788 E HG3 . 53778 1 343 . 1 . 1 30 30 GLU C C 13 180.253 0.000 . . . . . . . 788 E C . 53778 1 344 . 1 . 1 30 30 GLU CA C 13 59.754 0.000 . . . . . . . 788 E CA . 53778 1 345 . 1 . 1 30 30 GLU CB C 13 28.738 0.000 . . . . . . . 788 E CB . 53778 1 346 . 1 . 1 30 30 GLU CG C 13 36.716 0.000 . . . . . . . 788 E CG . 53778 1 347 . 1 . 1 30 30 GLU N N 15 115.540 0.000 . . . . . . . 788 E N . 53778 1 348 . 1 . 1 31 31 GLU H H 1 7.472 0.000 . . . . . . . 789 E H . 53778 1 349 . 1 . 1 31 31 GLU HA H 1 4.378 0.000 . . . . . . . 789 E HA . 53778 1 350 . 1 . 1 31 31 GLU HB2 H 1 2.316 0.000 . . . . . . . 789 E HB2 . 53778 1 351 . 1 . 1 31 31 GLU HB3 H 1 2.380 0.000 . . . . . . . 789 E HB3 . 53778 1 352 . 1 . 1 31 31 GLU HG2 H 1 2.452 0.010 . . . . . . . 789 E HG2 . 53778 1 353 . 1 . 1 31 31 GLU HG3 H 1 2.706 0.000 . . . . . . . 789 E HG3 . 53778 1 354 . 1 . 1 31 31 GLU C C 13 179.041 0.000 . . . . . . . 789 E C . 53778 1 355 . 1 . 1 31 31 GLU CA C 13 58.444 0.000 . . . . . . . 789 E CA . 53778 1 356 . 1 . 1 31 31 GLU CB C 13 31.361 0.000 . . . . . . . 789 E CB . 53778 1 357 . 1 . 1 31 31 GLU CG C 13 36.700 0.000 . . . . . . . 789 E CG . 53778 1 358 . 1 . 1 31 31 GLU N N 15 121.276 0.000 . . . . . . . 789 E N . 53778 1 359 . 1 . 1 32 32 PHE H H 1 9.144 0.000 . . . . . . . 790 F H . 53778 1 360 . 1 . 1 32 32 PHE HA H 1 4.387 0.000 . . . . . . . 790 F HA . 53778 1 361 . 1 . 1 32 32 PHE HB2 H 1 3.043 0.000 . . . . . . . 790 F HB2 . 53778 1 362 . 1 . 1 32 32 PHE HB3 H 1 3.044 0.000 . . . . . . . 790 F HB3 . 53778 1 363 . 1 . 1 32 32 PHE HD1 H 1 6.850 0.010 . . . . . . . 790 F HD1 . 53778 1 364 . 1 . 1 32 32 PHE HD2 H 1 7.233 0.000 . . . . . . . 790 F HD2 . 53778 1 365 . 1 . 1 32 32 PHE HE1 H 1 6.854 0.000 . . . . . . . 790 F HE1 . 53778 1 366 . 1 . 1 32 32 PHE HE2 H 1 6.860 0.000 . . . . . . . 790 F HE2 . 53778 1 367 . 1 . 1 32 32 PHE HZ H 1 6.219 0.000 . . . . . . . 790 F HZ . 53778 1 368 . 1 . 1 32 32 PHE C C 13 177.354 0.000 . . . . . . . 790 F C . 53778 1 369 . 1 . 1 32 32 PHE CA C 13 59.021 0.000 . . . . . . . 790 F CA . 53778 1 370 . 1 . 1 32 32 PHE CB C 13 38.607 0.000 . . . . . . . 790 F CB . 53778 1 371 . 1 . 1 32 32 PHE CD1 C 13 131.115 0.010 . . . . . . . 790 F CD1 . 53778 1 372 . 1 . 1 32 32 PHE CE1 C 13 131.103 0.010 . . . . . . . 790 F CE1 . 53778 1 373 . 1 . 1 32 32 PHE CZ C 13 129.379 0.000 . . . . . . . 790 F CZ . 53778 1 374 . 1 . 1 32 32 PHE N N 15 118.165 0.000 . . . . . . . 790 F N . 53778 1 375 . 1 . 1 33 33 LYS H H 1 8.716 0.000 . . . . . . . 791 K H . 53778 1 376 . 1 . 1 33 33 LYS HA H 1 3.425 0.000 . . . . . . . 791 K HA . 53778 1 377 . 1 . 1 33 33 LYS HB2 H 1 1.561 0.000 . . . . . . . 791 K HB2 . 53778 1 378 . 1 . 1 33 33 LYS HB3 H 1 1.598 0.000 . . . . . . . 791 K HB3 . 53778 1 379 . 1 . 1 33 33 LYS HG2 H 1 0.744 0.000 . . . . . . . 791 K HG2 . 53778 1 380 . 1 . 1 33 33 LYS HG3 H 1 1.094 0.000 . . . . . . . 791 K HG3 . 53778 1 381 . 1 . 1 33 33 LYS HD2 H 1 1.182 0.000 . . . . . . . 791 K HD2 . 53778 1 382 . 1 . 1 33 33 LYS HD3 H 1 1.290 0.010 . . . . . . . 791 K HD3 . 53778 1 383 . 1 . 1 33 33 LYS HE2 H 1 2.108 0.010 . . . . . . . 791 K HE2 . 53778 1 384 . 1 . 1 33 33 LYS HE3 H 1 3.426 0.010 . . . . . . . 791 K HE3 . 53778 1 385 . 1 . 1 33 33 LYS C C 13 177.145 0.000 . . . . . . . 791 K C . 53778 1 386 . 1 . 1 33 33 LYS CA C 13 60.966 0.000 . . . . . . . 791 K CA . 53778 1 387 . 1 . 1 33 33 LYS CB C 13 31.648 0.000 . . . . . . . 791 K CB . 53778 1 388 . 1 . 1 33 33 LYS CG C 13 25.545 0.000 . . . . . . . 791 K CG . 53778 1 389 . 1 . 1 33 33 LYS CD C 13 29.172 0.000 . . . . . . . 791 K CD . 53778 1 390 . 1 . 1 33 33 LYS CE C 13 41.176 0.000 . . . . . . . 791 K CE . 53778 1 391 . 1 . 1 33 33 LYS N N 15 120.064 0.000 . . . . . . . 791 K N . 53778 1 392 . 1 . 1 34 34 ALA H H 1 7.236 0.000 . . . . . . . 792 A H . 53778 1 393 . 1 . 1 34 34 ALA HA H 1 3.951 0.000 . . . . . . . 792 A HA . 53778 1 394 . 1 . 1 34 34 ALA HB1 H 1 1.626 0.000 . . . . . . . 792 A HB# . 53778 1 395 . 1 . 1 34 34 ALA HB2 H 1 1.626 0.000 . . . . . . . 792 A HB# . 53778 1 396 . 1 . 1 34 34 ALA HB3 H 1 1.626 0.000 . . . . . . . 792 A HB# . 53778 1 397 . 1 . 1 34 34 ALA C C 13 179.857 0.000 . . . . . . . 792 A C . 53778 1 398 . 1 . 1 34 34 ALA CA C 13 55.377 0.000 . . . . . . . 792 A CA . 53778 1 399 . 1 . 1 34 34 ALA CB C 13 17.672 0.000 . . . . . . . 792 A CB . 53778 1 400 . 1 . 1 34 34 ALA N N 15 118.793 0.000 . . . . . . . 792 A N . 53778 1 401 . 1 . 1 35 35 CYS H H 1 7.425 0.000 . . . . . . . 793 C H . 53778 1 402 . 1 . 1 35 35 CYS HA H 1 2.621 0.000 . . . . . . . 793 C HA . 53778 1 403 . 1 . 1 35 35 CYS HB2 H 1 2.086 0.000 . . . . . . . 793 C HB2 . 53778 1 404 . 1 . 1 35 35 CYS HB3 H 1 2.909 0.000 . . . . . . . 793 C HB3 . 53778 1 405 . 1 . 1 35 35 CYS HG H 1 0.136 0.010 . . . . . . . 793 C HG . 53778 1 406 . 1 . 1 35 35 CYS C C 13 176.933 0.000 . . . . . . . 793 C C . 53778 1 407 . 1 . 1 35 35 CYS CA C 13 61.277 0.000 . . . . . . . 793 C CA . 53778 1 408 . 1 . 1 35 35 CYS CB C 13 26.160 0.000 . . . . . . . 793 C CB . 53778 1 409 . 1 . 1 35 35 CYS N N 15 120.986 0.000 . . . . . . . 793 C N . 53778 1 410 . 1 . 1 36 36 LEU H H 1 8.390 0.000 . . . . . . . 794 L H . 53778 1 411 . 1 . 1 36 36 LEU HA H 1 3.838 0.000 . . . . . . . 794 L HA . 53778 1 412 . 1 . 1 36 36 LEU HB2 H 1 1.018 0.000 . . . . . . . 794 L HB2 . 53778 1 413 . 1 . 1 36 36 LEU HB3 H 1 1.797 0.000 . . . . . . . 794 L HB3 . 53778 1 414 . 1 . 1 36 36 LEU HG H 1 0.220 0.000 . . . . . . . 794 L HG . 53778 1 415 . 1 . 1 36 36 LEU HD11 H 1 0.057 0.000 . . . . . . . 794 L QD1 . 53778 1 416 . 1 . 1 36 36 LEU HD12 H 1 0.057 0.000 . . . . . . . 794 L QD1 . 53778 1 417 . 1 . 1 36 36 LEU HD13 H 1 0.057 0.000 . . . . . . . 794 L QD1 . 53778 1 418 . 1 . 1 36 36 LEU HD21 H 1 0.221 0.000 . . . . . . . 794 L QD2 . 53778 1 419 . 1 . 1 36 36 LEU HD22 H 1 0.221 0.000 . . . . . . . 794 L QD2 . 53778 1 420 . 1 . 1 36 36 LEU HD23 H 1 0.221 0.000 . . . . . . . 794 L QD2 . 53778 1 421 . 1 . 1 36 36 LEU C C 13 179.991 0.000 . . . . . . . 794 L C . 53778 1 422 . 1 . 1 36 36 LEU CA C 13 58.012 0.000 . . . . . . . 794 L CA . 53778 1 423 . 1 . 1 36 36 LEU CB C 13 41.427 0.000 . . . . . . . 794 L CB . 53778 1 424 . 1 . 1 36 36 LEU CG C 13 26.406 0.000 . . . . . . . 794 L CG . 53778 1 425 . 1 . 1 36 36 LEU CD1 C 13 21.626 0.000 . . . . . . . 794 L CD1 . 53778 1 426 . 1 . 1 36 36 LEU CD2 C 13 26.375 0.000 . . . . . . . 794 L CD2 . 53778 1 427 . 1 . 1 36 36 LEU N N 15 119.468 0.000 . . . . . . . 794 L N . 53778 1 428 . 1 . 1 37 37 ILE H H 1 8.441 0.000 . . . . . . . 795 I H . 53778 1 429 . 1 . 1 37 37 ILE HA H 1 3.972 0.000 . . . . . . . 795 I HA . 53778 1 430 . 1 . 1 37 37 ILE HB H 1 1.843 0.000 . . . . . . . 795 I HB . 53778 1 431 . 1 . 1 37 37 ILE HG12 H 1 1.047 0.000 . . . . . . . 795 I HG12 . 53778 1 432 . 1 . 1 37 37 ILE HG13 H 1 1.686 0.000 . . . . . . . 795 I HG13 . 53778 1 433 . 1 . 1 37 37 ILE HG21 H 1 0.947 0.000 . . . . . . . 795 I QG2 . 53778 1 434 . 1 . 1 37 37 ILE HG22 H 1 0.947 0.000 . . . . . . . 795 I QG2 . 53778 1 435 . 1 . 1 37 37 ILE HG23 H 1 0.947 0.000 . . . . . . . 795 I QG2 . 53778 1 436 . 1 . 1 37 37 ILE HD11 H 1 0.753 0.000 . . . . . . . 795 I QD1 . 53778 1 437 . 1 . 1 37 37 ILE HD12 H 1 0.753 0.000 . . . . . . . 795 I QD1 . 53778 1 438 . 1 . 1 37 37 ILE HD13 H 1 0.753 0.000 . . . . . . . 795 I QD1 . 53778 1 439 . 1 . 1 37 37 ILE C C 13 181.041 0.000 . . . . . . . 795 I C . 53778 1 440 . 1 . 1 37 37 ILE CA C 13 65.385 0.000 . . . . . . . 795 I CA . 53778 1 441 . 1 . 1 37 37 ILE CB C 13 38.072 0.000 . . . . . . . 795 I CB . 53778 1 442 . 1 . 1 37 37 ILE CG1 C 13 29.855 0.000 . . . . . . . 795 I CG1 . 53778 1 443 . 1 . 1 37 37 ILE CG2 C 13 16.854 0.000 . . . . . . . 795 I CG2 . 53778 1 444 . 1 . 1 37 37 ILE CD1 C 13 13.857 0.000 . . . . . . . 795 I CD1 . 53778 1 445 . 1 . 1 37 37 ILE N N 15 120.998 0.000 . . . . . . . 795 I N . 53778 1 446 . 1 . 1 38 38 SER H H 1 7.768 0.000 . . . . . . . 796 S H . 53778 1 447 . 1 . 1 38 38 SER HA H 1 4.405 0.000 . . . . . . . 796 S HA . 53778 1 448 . 1 . 1 38 38 SER HB2 H 1 3.984 0.010 . . . . . . . 796 S HB2 . 53778 1 449 . 1 . 1 38 38 SER HB3 H 1 4.233 0.010 . . . . . . . 796 S HB3 . 53778 1 450 . 1 . 1 38 38 SER C C 13 175.551 0.000 . . . . . . . 796 S C . 53778 1 451 . 1 . 1 38 38 SER CA C 13 61.908 0.000 . . . . . . . 796 S CA . 53778 1 452 . 1 . 1 38 38 SER CB C 13 63.237 0.000 . . . . . . . 796 S CB . 53778 1 453 . 1 . 1 38 38 SER N N 15 118.828 0.000 . . . . . . . 796 S N . 53778 1 454 . 1 . 1 39 39 LEU H H 1 7.661 0.000 . . . . . . . 797 L H . 53778 1 455 . 1 . 1 39 39 LEU HA H 1 4.549 0.000 . . . . . . . 797 L HA . 53778 1 456 . 1 . 1 39 39 LEU HB2 H 1 2.065 0.000 . . . . . . . 797 L HB2 . 53778 1 457 . 1 . 1 39 39 LEU HB3 H 1 2.136 0.000 . . . . . . . 797 L HB3 . 53778 1 458 . 1 . 1 39 39 LEU HG H 1 1.656 0.010 . . . . . . . 797 L HG . 53778 1 459 . 1 . 1 39 39 LEU HD11 H 1 1.088 0.000 . . . . . . . 797 L QD1 . 53778 1 460 . 1 . 1 39 39 LEU HD12 H 1 1.088 0.000 . . . . . . . 797 L QD1 . 53778 1 461 . 1 . 1 39 39 LEU HD13 H 1 1.088 0.000 . . . . . . . 797 L QD1 . 53778 1 462 . 1 . 1 39 39 LEU HD21 H 1 1.136 0.000 . . . . . . . 797 L QD2 . 53778 1 463 . 1 . 1 39 39 LEU HD22 H 1 1.136 0.000 . . . . . . . 797 L QD2 . 53778 1 464 . 1 . 1 39 39 LEU HD23 H 1 1.136 0.000 . . . . . . . 797 L QD2 . 53778 1 465 . 1 . 1 39 39 LEU C C 13 177.331 0.000 . . . . . . . 797 L C . 53778 1 466 . 1 . 1 39 39 LEU CA C 13 55.053 0.000 . . . . . . . 797 L CA . 53778 1 467 . 1 . 1 39 39 LEU CB C 13 43.112 0.000 . . . . . . . 797 L CB . 53778 1 468 . 1 . 1 39 39 LEU CG C 13 27.116 0.000 . . . . . . . 797 L CG . 53778 1 469 . 1 . 1 39 39 LEU CD1 C 13 22.686 0.000 . . . . . . . 797 L CD1 . 53778 1 470 . 1 . 1 39 39 LEU CD2 C 13 27.289 0.000 . . . . . . . 797 L CD2 . 53778 1 471 . 1 . 1 39 39 LEU N N 15 120.815 0.000 . . . . . . . 797 L N . 53778 1 472 . 1 . 1 40 40 GLY H H 1 7.950 0.000 . . . . . . . 798 G H . 53778 1 473 . 1 . 1 40 40 GLY HA2 H 1 3.783 0.000 . . . . . . . 798 G HA2 . 53778 1 474 . 1 . 1 40 40 GLY HA3 H 1 4.243 0.000 . . . . . . . 798 G HA3 . 53778 1 475 . 1 . 1 40 40 GLY C C 13 175.135 0.000 . . . . . . . 798 G C . 53778 1 476 . 1 . 1 40 40 GLY CA C 13 45.612 0.000 . . . . . . . 798 G CA . 53778 1 477 . 1 . 1 40 40 GLY N N 15 106.568 0.000 . . . . . . . 798 G N . 53778 1 478 . 1 . 1 41 41 TYR H H 1 8.111 0.000 . . . . . . . 799 Y H . 53778 1 479 . 1 . 1 41 41 TYR HA H 1 4.283 0.000 . . . . . . . 799 Y HA . 53778 1 480 . 1 . 1 41 41 TYR HB2 H 1 2.659 0.000 . . . . . . . 799 Y HB2 . 53778 1 481 . 1 . 1 41 41 TYR HB3 H 1 2.663 0.010 . . . . . . . 799 Y HB3 . 53778 1 482 . 1 . 1 41 41 TYR HD1 H 1 7.301 0.000 . . . . . . . 799 Y HD1 . 53778 1 483 . 1 . 1 41 41 TYR HD2 H 1 7.306 0.000 . . . . . . . 799 Y HD2 . 53778 1 484 . 1 . 1 41 41 TYR HE1 H 1 6.800 0.000 . . . . . . . 799 Y HE1 . 53778 1 485 . 1 . 1 41 41 TYR HE2 H 1 6.874 0.010 . . . . . . . 799 Y HE2 . 53778 1 486 . 1 . 1 41 41 TYR C C 13 176.374 0.000 . . . . . . . 799 Y C . 53778 1 487 . 1 . 1 41 41 TYR CA C 13 59.118 0.000 . . . . . . . 799 Y CA . 53778 1 488 . 1 . 1 41 41 TYR CB C 13 39.476 0.000 . . . . . . . 799 Y CB . 53778 1 489 . 1 . 1 41 41 TYR CD1 C 13 134.047 0.000 . . . . . . . 799 Y CD1 . 53778 1 490 . 1 . 1 41 41 TYR CE1 C 13 117.652 0.000 . . . . . . . 799 Y CE1 . 53778 1 491 . 1 . 1 41 41 TYR N N 15 120.130 0.000 . . . . . . . 799 Y N . 53778 1 492 . 1 . 1 42 42 ASP H H 1 9.148 0.000 . . . . . . . 800 D H . 53778 1 493 . 1 . 1 42 42 ASP HA H 1 4.910 0.000 . . . . . . . 800 D HA . 53778 1 494 . 1 . 1 42 42 ASP HB2 H 1 2.603 0.000 . . . . . . . 800 D HB2 . 53778 1 495 . 1 . 1 42 42 ASP HB3 H 1 2.921 0.000 . . . . . . . 800 D HB3 . 53778 1 496 . 1 . 1 42 42 ASP C C 13 176.350 0.000 . . . . . . . 800 D C . 53778 1 497 . 1 . 1 42 42 ASP CA C 13 53.331 0.000 . . . . . . . 800 D CA . 53778 1 498 . 1 . 1 42 42 ASP CB C 13 39.712 0.000 . . . . . . . 800 D CB . 53778 1 499 . 1 . 1 42 42 ASP N N 15 125.083 0.000 . . . . . . . 800 D N . 53778 1 500 . 1 . 1 43 43 VAL H H 1 7.373 0.000 . . . . . . . 801 V H . 53778 1 501 . 1 . 1 43 43 VAL HA H 1 4.732 0.000 . . . . . . . 801 V HA . 53778 1 502 . 1 . 1 43 43 VAL HB H 1 2.390 0.000 . . . . . . . 801 V HB . 53778 1 503 . 1 . 1 43 43 VAL HG11 H 1 0.699 0.000 . . . . . . . 801 V QG1 . 53778 1 504 . 1 . 1 43 43 VAL HG12 H 1 0.699 0.000 . . . . . . . 801 V QG1 . 53778 1 505 . 1 . 1 43 43 VAL HG13 H 1 0.699 0.000 . . . . . . . 801 V QG1 . 53778 1 506 . 1 . 1 43 43 VAL HG21 H 1 0.852 0.000 . . . . . . . 801 V QG2 . 53778 1 507 . 1 . 1 43 43 VAL HG22 H 1 0.852 0.000 . . . . . . . 801 V QG2 . 53778 1 508 . 1 . 1 43 43 VAL HG23 H 1 0.852 0.000 . . . . . . . 801 V QG2 . 53778 1 509 . 1 . 1 43 43 VAL C C 13 175.126 0.000 . . . . . . . 801 V C . 53778 1 510 . 1 . 1 43 43 VAL CA C 13 60.275 0.000 . . . . . . . 801 V CA . 53778 1 511 . 1 . 1 43 43 VAL CB C 13 31.865 0.000 . . . . . . . 801 V CB . 53778 1 512 . 1 . 1 43 43 VAL CG1 C 13 19.725 0.000 . . . . . . . 801 V CG1 . 53778 1 513 . 1 . 1 43 43 VAL CG2 C 13 22.030 0.000 . . . . . . . 801 V CG2 . 53778 1 514 . 1 . 1 43 43 VAL N N 15 112.383 0.000 . . . . . . . 801 V N . 53778 1 515 . 1 . 1 44 44 GLU H H 1 8.260 0.000 . . . . . . . 802 E H . 53778 1 516 . 1 . 1 44 44 GLU HA H 1 4.313 0.000 . . . . . . . 802 E HA . 53778 1 517 . 1 . 1 44 44 GLU HB2 H 1 1.914 0.000 . . . . . . . 802 E HB2 . 53778 1 518 . 1 . 1 44 44 GLU HB3 H 1 2.058 0.010 . . . . . . . 802 E HB3 . 53778 1 519 . 1 . 1 44 44 GLU HG2 H 1 2.146 0.000 . . . . . . . 802 E HG2 . 53778 1 520 . 1 . 1 44 44 GLU HG3 H 1 2.206 0.010 . . . . . . . 802 E HG3 . 53778 1 521 . 1 . 1 44 44 GLU C C 13 176.318 0.000 . . . . . . . 802 E C . 53778 1 522 . 1 . 1 44 44 GLU CA C 13 56.675 0.000 . . . . . . . 802 E CA . 53778 1 523 . 1 . 1 44 44 GLU CB C 13 31.063 0.000 . . . . . . . 802 E CB . 53778 1 524 . 1 . 1 44 44 GLU CG C 13 36.789 0.000 . . . . . . . 802 E CG . 53778 1 525 . 1 . 1 44 44 GLU N N 15 120.348 0.000 . . . . . . . 802 E N . 53778 1 526 . 1 . 1 45 45 ASN H H 1 8.198 0.000 . . . . . . . 803 N H . 53778 1 527 . 1 . 1 45 45 ASN HA H 1 4.757 0.010 . . . . . . . 803 N HA . 53778 1 528 . 1 . 1 45 45 ASN HB2 H 1 2.790 0.000 . . . . . . . 803 N HB2 . 53778 1 529 . 1 . 1 45 45 ASN HB3 H 1 2.853 0.000 . . . . . . . 803 N HB3 . 53778 1 530 . 1 . 1 45 45 ASN HD21 H 1 7.063 0.000 . . . . . . . 803 N HD21 . 53778 1 531 . 1 . 1 45 45 ASN HD22 H 1 7.591 0.000 . . . . . . . 803 N HD22 . 53778 1 532 . 1 . 1 45 45 ASN C C 13 175.258 0.000 . . . . . . . 803 N C . 53778 1 533 . 1 . 1 45 45 ASN CA C 13 53.890 0.000 . . . . . . . 803 N CA . 53778 1 534 . 1 . 1 45 45 ASN CB C 13 38.503 0.000 . . . . . . . 803 N CB . 53778 1 535 . 1 . 1 45 45 ASN N N 15 118.189 0.000 . . . . . . . 803 N N . 53778 1 536 . 1 . 1 45 45 ASN ND2 N 15 112.197 0.000 . . . . . . . 803 N ND2 . 53778 1 537 . 1 . 1 46 46 ASP H H 1 8.525 0.000 . . . . . . . 804 D H . 53778 1 538 . 1 . 1 46 46 ASP HA H 1 4.517 0.000 . . . . . . . 804 D HA . 53778 1 539 . 1 . 1 46 46 ASP HB2 H 1 2.841 0.000 . . . . . . . 804 D HB2 . 53778 1 540 . 1 . 1 46 46 ASP HB3 H 1 2.847 0.010 . . . . . . . 804 D HB3 . 53778 1 541 . 1 . 1 46 46 ASP C C 13 176.349 0.000 . . . . . . . 804 D C . 53778 1 542 . 1 . 1 46 46 ASP CA C 13 54.411 0.000 . . . . . . . 804 D CA . 53778 1 543 . 1 . 1 46 46 ASP CB C 13 41.422 0.000 . . . . . . . 804 D CB . 53778 1 544 . 1 . 1 46 46 ASP N N 15 122.106 0.000 . . . . . . . 804 D N . 53778 1 545 . 1 . 1 47 47 ARG H H 1 8.429 0.010 . . . . . . . 805 R H . 53778 1 546 . 1 . 1 47 47 ARG HA H 1 4.222 0.000 . . . . . . . 805 R HA . 53778 1 547 . 1 . 1 47 47 ARG HB2 H 1 1.904 0.000 . . . . . . . 805 R HB2 . 53778 1 548 . 1 . 1 47 47 ARG HB3 H 1 1.905 0.000 . . . . . . . 805 R HB3 . 53778 1 549 . 1 . 1 47 47 ARG HG2 H 1 1.707 0.000 . . . . . . . 805 R HG2 . 53778 1 550 . 1 . 1 47 47 ARG HG3 H 1 1.739 0.000 . . . . . . . 805 R HG3 . 53778 1 551 . 1 . 1 47 47 ARG HD2 H 1 3.233 0.000 . . . . . . . 805 R HD2 . 53778 1 552 . 1 . 1 47 47 ARG HD3 H 1 3.239 0.000 . . . . . . . 805 R HD3 . 53778 1 553 . 1 . 1 47 47 ARG HE H 1 7.169 0.010 . . . . . . . 805 R HE . 53778 1 554 . 1 . 1 47 47 ARG C C 13 178.640 0.000 . . . . . . . 805 R C . 53778 1 555 . 1 . 1 47 47 ARG CA C 13 58.808 0.000 . . . . . . . 805 R CA . 53778 1 556 . 1 . 1 47 47 ARG CB C 13 30.362 0.000 . . . . . . . 805 R CB . 53778 1 557 . 1 . 1 47 47 ARG CG C 13 27.247 0.000 . . . . . . . 805 R CG . 53778 1 558 . 1 . 1 47 47 ARG CD C 13 43.359 0.000 . . . . . . . 805 R CD . 53778 1 559 . 1 . 1 47 47 ARG N N 15 123.089 0.010 . . . . . . . 805 R N . 53778 1 560 . 1 . 1 48 48 GLN H H 1 8.528 0.000 . . . . . . . 806 Q H . 53778 1 561 . 1 . 1 48 48 GLN HA H 1 4.323 0.000 . . . . . . . 806 Q HA . 53778 1 562 . 1 . 1 48 48 GLN HB2 H 1 2.158 0.000 . . . . . . . 806 Q HB2 . 53778 1 563 . 1 . 1 48 48 GLN HB3 H 1 2.175 0.010 . . . . . . . 806 Q HB3 . 53778 1 564 . 1 . 1 48 48 GLN HG2 H 1 2.145 0.010 . . . . . . . 806 Q HG2 . 53778 1 565 . 1 . 1 48 48 GLN HG3 H 1 2.444 0.000 . . . . . . . 806 Q HG3 . 53778 1 566 . 1 . 1 48 48 GLN HE21 H 1 6.886 0.010 . . . . . . . 806 Q HE21 . 53778 1 567 . 1 . 1 48 48 GLN HE22 H 1 7.640 0.000 . . . . . . . 806 Q HE22 . 53778 1 568 . 1 . 1 48 48 GLN C C 13 178.076 0.000 . . . . . . . 806 Q C . 53778 1 569 . 1 . 1 48 48 GLN CA C 13 57.925 0.000 . . . . . . . 806 Q CA . 53778 1 570 . 1 . 1 48 48 GLN CB C 13 28.652 0.000 . . . . . . . 806 Q CB . 53778 1 571 . 1 . 1 48 48 GLN CG C 13 34.231 0.000 . . . . . . . 806 Q CG . 53778 1 572 . 1 . 1 48 48 GLN N N 15 119.051 0.000 . . . . . . . 806 Q N . 53778 1 573 . 1 . 1 48 48 GLN NE2 N 15 112.272 0.000 . . . . . . . 806 Q NE2 . 53778 1 574 . 1 . 1 49 49 GLY H H 1 8.374 0.000 . . . . . . . 807 G H . 53778 1 575 . 1 . 1 49 49 GLY HA2 H 1 3.961 0.000 . . . . . . . 807 G HA2 . 53778 1 576 . 1 . 1 49 49 GLY HA3 H 1 4.103 0.010 . . . . . . . 807 G HA3 . 53778 1 577 . 1 . 1 49 49 GLY C C 13 175.946 0.000 . . . . . . . 807 G C . 53778 1 578 . 1 . 1 49 49 GLY CA C 13 46.903 0.000 . . . . . . . 807 G CA . 53778 1 579 . 1 . 1 49 49 GLY N N 15 111.363 0.000 . . . . . . . 807 G N . 53778 1 580 . 1 . 1 50 50 GLU H H 1 8.236 0.000 . . . . . . . 808 E H . 53778 1 581 . 1 . 1 50 50 GLU HA H 1 4.205 0.000 . . . . . . . 808 E HA . 53778 1 582 . 1 . 1 50 50 GLU HB2 H 1 1.576 0.010 . . . . . . . 808 E HB2 . 53778 1 583 . 1 . 1 50 50 GLU HB3 H 1 2.074 0.010 . . . . . . . 808 E HB3 . 53778 1 584 . 1 . 1 50 50 GLU HG2 H 1 2.267 0.010 . . . . . . . 808 E HG2 . 53778 1 585 . 1 . 1 50 50 GLU HG3 H 1 2.369 0.010 . . . . . . . 808 E HG3 . 53778 1 586 . 1 . 1 50 50 GLU C C 13 178.540 0.000 . . . . . . . 808 E C . 53778 1 587 . 1 . 1 50 50 GLU CA C 13 59.098 0.000 . . . . . . . 808 E CA . 53778 1 588 . 1 . 1 50 50 GLU CB C 13 29.760 0.000 . . . . . . . 808 E CB . 53778 1 589 . 1 . 1 50 50 GLU CG C 13 36.370 0.000 . . . . . . . 808 E CG . 53778 1 590 . 1 . 1 50 50 GLU N N 15 121.900 0.000 . . . . . . . 808 E N . 53778 1 591 . 1 . 1 51 51 ALA H H 1 7.968 0.000 . . . . . . . 809 A H . 53778 1 592 . 1 . 1 51 51 ALA HA H 1 4.229 0.000 . . . . . . . 809 A HA . 53778 1 593 . 1 . 1 51 51 ALA HB1 H 1 1.569 0.000 . . . . . . . 809 A HB# . 53778 1 594 . 1 . 1 51 51 ALA HB2 H 1 1.569 0.000 . . . . . . . 809 A HB# . 53778 1 595 . 1 . 1 51 51 ALA HB3 H 1 1.569 0.000 . . . . . . . 809 A HB# . 53778 1 596 . 1 . 1 51 51 ALA C C 13 180.972 0.000 . . . . . . . 809 A C . 53778 1 597 . 1 . 1 51 51 ALA CA C 13 55.192 0.000 . . . . . . . 809 A CA . 53778 1 598 . 1 . 1 51 51 ALA CB C 13 18.000 0.000 . . . . . . . 809 A CB . 53778 1 599 . 1 . 1 51 51 ALA N N 15 121.668 0.000 . . . . . . . 809 A N . 53778 1 600 . 1 . 1 52 52 GLU H H 1 8.236 0.000 . . . . . . . 810 E H . 53778 1 601 . 1 . 1 52 52 GLU HA H 1 4.675 0.000 . . . . . . . 810 E HA . 53778 1 602 . 1 . 1 52 52 GLU HB2 H 1 0.834 0.010 . . . . . . . 810 E HB2 . 53778 1 603 . 1 . 1 52 52 GLU HB3 H 1 2.223 0.010 . . . . . . . 810 E HB3 . 53778 1 604 . 1 . 1 52 52 GLU HG2 H 1 2.216 0.010 . . . . . . . 810 E HG2 . 53778 1 605 . 1 . 1 52 52 GLU HG3 H 1 2.717 0.010 . . . . . . . 810 E HG3 . 53778 1 606 . 1 . 1 52 52 GLU C C 13 178.300 0.000 . . . . . . . 810 E C . 53778 1 607 . 1 . 1 52 52 GLU CA C 13 58.389 0.000 . . . . . . . 810 E CA . 53778 1 608 . 1 . 1 52 52 GLU CB C 13 29.149 0.000 . . . . . . . 810 E CB . 53778 1 609 . 1 . 1 52 52 GLU CG C 13 34.476 0.000 . . . . . . . 810 E CG . 53778 1 610 . 1 . 1 52 52 GLU N N 15 121.888 0.000 . . . . . . . 810 E N . 53778 1 611 . 1 . 1 53 53 PHE H H 1 8.770 0.000 . . . . . . . 811 F H . 53778 1 612 . 1 . 1 53 53 PHE HA H 1 3.937 0.000 . . . . . . . 811 F HA . 53778 1 613 . 1 . 1 53 53 PHE HB2 H 1 3.139 0.000 . . . . . . . 811 F HB2 . 53778 1 614 . 1 . 1 53 53 PHE HB3 H 1 3.142 0.000 . . . . . . . 811 F HB3 . 53778 1 615 . 1 . 1 53 53 PHE HD1 H 1 7.041 0.000 . . . . . . . 811 F HD1 . 53778 1 616 . 1 . 1 53 53 PHE HD2 H 1 7.162 0.010 . . . . . . . 811 F HD2 . 53778 1 617 . 1 . 1 53 53 PHE HE1 H 1 7.158 0.010 . . . . . . . 811 F HE1 . 53778 1 618 . 1 . 1 53 53 PHE HE2 H 1 7.518 0.000 . . . . . . . 811 F HE2 . 53778 1 619 . 1 . 1 53 53 PHE HZ H 1 7.161 0.010 . . . . . . . 811 F HZ . 53778 1 620 . 1 . 1 53 53 PHE C C 13 176.848 0.000 . . . . . . . 811 F C . 53778 1 621 . 1 . 1 53 53 PHE CA C 13 62.350 0.000 . . . . . . . 811 F CA . 53778 1 622 . 1 . 1 53 53 PHE CB C 13 39.030 0.000 . . . . . . . 811 F CB . 53778 1 623 . 1 . 1 53 53 PHE CD1 C 13 131.113 0.000 . . . . . . . 811 F CD1 . 53778 1 624 . 1 . 1 53 53 PHE CE1 C 13 131.115 0.000 . . . . . . . 811 F CE1 . 53778 1 625 . 1 . 1 53 53 PHE CZ C 13 131.034 0.010 . . . . . . . 811 F CZ . 53778 1 626 . 1 . 1 53 53 PHE N N 15 120.569 0.000 . . . . . . . 811 F N . 53778 1 627 . 1 . 1 54 54 ASN H H 1 8.537 0.000 . . . . . . . 812 N H . 53778 1 628 . 1 . 1 54 54 ASN HA H 1 4.170 0.000 . . . . . . . 812 N HA . 53778 1 629 . 1 . 1 54 54 ASN HB2 H 1 2.795 0.000 . . . . . . . 812 N HB2 . 53778 1 630 . 1 . 1 54 54 ASN HB3 H 1 2.883 0.000 . . . . . . . 812 N HB3 . 53778 1 631 . 1 . 1 54 54 ASN HD21 H 1 7.580 0.010 . . . . . . . 812 N HD21 . 53778 1 632 . 1 . 1 54 54 ASN HD22 H 1 8.591 0.010 . . . . . . . 812 N HD22 . 53778 1 633 . 1 . 1 54 54 ASN C C 13 178.334 0.000 . . . . . . . 812 N C . 53778 1 634 . 1 . 1 54 54 ASN CA C 13 56.161 0.000 . . . . . . . 812 N CA . 53778 1 635 . 1 . 1 54 54 ASN CB C 13 37.989 0.000 . . . . . . . 812 N CB . 53778 1 636 . 1 . 1 54 54 ASN N N 15 116.500 0.000 . . . . . . . 812 N N . 53778 1 637 . 1 . 1 54 54 ASN ND2 N 15 111.997 0.000 . . . . . . . 812 N ND2 . 53778 1 638 . 1 . 1 55 55 ARG H H 1 8.172 0.000 . . . . . . . 813 R H . 53778 1 639 . 1 . 1 55 55 ARG HA H 1 3.975 0.000 . . . . . . . 813 R HA . 53778 1 640 . 1 . 1 55 55 ARG HB2 H 1 2.249 0.000 . . . . . . . 813 R HB2 . 53778 1 641 . 1 . 1 55 55 ARG HB3 H 1 2.248 0.010 . . . . . . . 813 R HB3 . 53778 1 642 . 1 . 1 55 55 ARG HG2 H 1 1.358 0.000 . . . . . . . 813 R HG2 . 53778 1 643 . 1 . 1 55 55 ARG HG3 H 1 1.359 0.010 . . . . . . . 813 R HG3 . 53778 1 644 . 1 . 1 55 55 ARG HD2 H 1 3.073 0.000 . . . . . . . 813 R HD2 . 53778 1 645 . 1 . 1 55 55 ARG HD3 H 1 3.442 0.000 . . . . . . . 813 R HD3 . 53778 1 646 . 1 . 1 55 55 ARG HE H 1 7.524 0.010 . . . . . . . 813 R HE . 53778 1 647 . 1 . 1 55 55 ARG C C 13 179.295 0.000 . . . . . . . 813 R C . 53778 1 648 . 1 . 1 55 55 ARG CA C 13 59.741 0.000 . . . . . . . 813 R CA . 53778 1 649 . 1 . 1 55 55 ARG CB C 13 30.240 0.000 . . . . . . . 813 R CB . 53778 1 650 . 1 . 1 55 55 ARG CG C 13 27.294 0.000 . . . . . . . 813 R CG . 53778 1 651 . 1 . 1 55 55 ARG CD C 13 43.090 0.000 . . . . . . . 813 R CD . 53778 1 652 . 1 . 1 55 55 ARG N N 15 122.971 0.000 . . . . . . . 813 R N . 53778 1 653 . 1 . 1 56 56 ILE H H 1 8.106 0.000 . . . . . . . 814 I H . 53778 1 654 . 1 . 1 56 56 ILE HA H 1 3.426 0.000 . . . . . . . 814 I HA . 53778 1 655 . 1 . 1 56 56 ILE HB H 1 1.507 0.000 . . . . . . . 814 I HB . 53778 1 656 . 1 . 1 56 56 ILE HG12 H 1 0.871 0.000 . . . . . . . 814 I HG12 . 53778 1 657 . 1 . 1 56 56 ILE HG13 H 1 1.738 0.000 . . . . . . . 814 I HG13 . 53778 1 658 . 1 . 1 56 56 ILE HG21 H 1 0.648 0.000 . . . . . . . 814 I QG2 . 53778 1 659 . 1 . 1 56 56 ILE HG22 H 1 0.648 0.000 . . . . . . . 814 I QG2 . 53778 1 660 . 1 . 1 56 56 ILE HG23 H 1 0.648 0.000 . . . . . . . 814 I QG2 . 53778 1 661 . 1 . 1 56 56 ILE HD11 H 1 0.629 0.000 . . . . . . . 814 I QD1 . 53778 1 662 . 1 . 1 56 56 ILE HD12 H 1 0.629 0.000 . . . . . . . 814 I QD1 . 53778 1 663 . 1 . 1 56 56 ILE HD13 H 1 0.629 0.000 . . . . . . . 814 I QD1 . 53778 1 664 . 1 . 1 56 56 ILE C C 13 178.752 0.000 . . . . . . . 814 I C . 53778 1 665 . 1 . 1 56 56 ILE CA C 13 65.972 0.000 . . . . . . . 814 I CA . 53778 1 666 . 1 . 1 56 56 ILE CB C 13 38.028 0.000 . . . . . . . 814 I CB . 53778 1 667 . 1 . 1 56 56 ILE CG1 C 13 29.281 0.000 . . . . . . . 814 I CG1 . 53778 1 668 . 1 . 1 56 56 ILE CG2 C 13 17.968 0.000 . . . . . . . 814 I CG2 . 53778 1 669 . 1 . 1 56 56 ILE CD1 C 13 14.337 0.000 . . . . . . . 814 I CD1 . 53778 1 670 . 1 . 1 56 56 ILE N N 15 121.257 0.000 . . . . . . . 814 I N . 53778 1 671 . 1 . 1 57 57 MET H H 1 8.642 0.000 . . . . . . . 815 M H . 53778 1 672 . 1 . 1 57 57 MET HA H 1 4.183 0.010 . . . . . . . 815 M HA . 53778 1 673 . 1 . 1 57 57 MET HB2 H 1 1.608 0.000 . . . . . . . 815 M HB2 . 53778 1 674 . 1 . 1 57 57 MET HB3 H 1 1.846 0.010 . . . . . . . 815 M HB3 . 53778 1 675 . 1 . 1 57 57 MET HG2 H 1 2.178 0.010 . . . . . . . 815 M HG2 . 53778 1 676 . 1 . 1 57 57 MET HG3 H 1 2.720 0.010 . . . . . . . 815 M HG3 . 53778 1 677 . 1 . 1 57 57 MET HE1 H 1 1.777 0.000 . . . . . . . 815 M HE# . 53778 1 678 . 1 . 1 57 57 MET HE2 H 1 1.777 0.000 . . . . . . . 815 M HE# . 53778 1 679 . 1 . 1 57 57 MET HE3 H 1 1.777 0.000 . . . . . . . 815 M HE# . 53778 1 680 . 1 . 1 57 57 MET C C 13 178.477 0.010 . . . . . . . 815 M C . 53778 1 681 . 1 . 1 57 57 MET CA C 13 56.994 0.000 . . . . . . . 815 M CA . 53778 1 682 . 1 . 1 57 57 MET CB C 13 30.356 0.000 . . . . . . . 815 M CB . 53778 1 683 . 1 . 1 57 57 MET CG C 13 32.172 0.000 . . . . . . . 815 M CG . 53778 1 684 . 1 . 1 57 57 MET CE C 13 15.699 0.000 . . . . . . . 815 M CE . 53778 1 685 . 1 . 1 57 57 MET N N 15 119.053 0.000 . . . . . . . 815 M N . 53778 1 686 . 1 . 1 58 58 SER H H 1 7.761 0.000 . . . . . . . 816 S H . 53778 1 687 . 1 . 1 58 58 SER HA H 1 4.049 0.000 . . . . . . . 816 S HA . 53778 1 688 . 1 . 1 58 58 SER HB2 H 1 3.929 0.010 . . . . . . . 816 S HB2 . 53778 1 689 . 1 . 1 58 58 SER HB3 H 1 4.775 0.010 . . . . . . . 816 S HB3 . 53778 1 690 . 1 . 1 58 58 SER C C 13 174.916 0.000 . . . . . . . 816 S C . 53778 1 691 . 1 . 1 58 58 SER CA C 13 61.687 0.000 . . . . . . . 816 S CA . 53778 1 692 . 1 . 1 58 58 SER CB C 13 63.158 0.000 . . . . . . . 816 S CB . 53778 1 693 . 1 . 1 58 58 SER N N 15 114.044 0.000 . . . . . . . 816 S N . 53778 1 694 . 1 . 1 59 59 LEU H H 1 7.340 0.000 . . . . . . . 817 L H . 53778 1 695 . 1 . 1 59 59 LEU HA H 1 4.265 0.000 . . . . . . . 817 L HA . 53778 1 696 . 1 . 1 59 59 LEU HB2 H 1 1.616 0.000 . . . . . . . 817 L HB2 . 53778 1 697 . 1 . 1 59 59 LEU HB3 H 1 2.034 0.000 . . . . . . . 817 L HB3 . 53778 1 698 . 1 . 1 59 59 LEU HG H 1 1.843 0.000 . . . . . . . 817 L HG . 53778 1 699 . 1 . 1 59 59 LEU HD11 H 1 0.896 0.000 . . . . . . . 817 L QD1 . 53778 1 700 . 1 . 1 59 59 LEU HD12 H 1 0.896 0.000 . . . . . . . 817 L QD1 . 53778 1 701 . 1 . 1 59 59 LEU HD13 H 1 0.896 0.000 . . . . . . . 817 L QD1 . 53778 1 702 . 1 . 1 59 59 LEU HD21 H 1 0.980 0.000 . . . . . . . 817 L QD2 . 53778 1 703 . 1 . 1 59 59 LEU HD22 H 1 0.980 0.000 . . . . . . . 817 L QD2 . 53778 1 704 . 1 . 1 59 59 LEU HD23 H 1 0.980 0.000 . . . . . . . 817 L QD2 . 53778 1 705 . 1 . 1 59 59 LEU C C 13 179.224 0.000 . . . . . . . 817 L C . 53778 1 706 . 1 . 1 59 59 LEU CA C 13 56.813 0.000 . . . . . . . 817 L CA . 53778 1 707 . 1 . 1 59 59 LEU CB C 13 42.602 0.000 . . . . . . . 817 L CB . 53778 1 708 . 1 . 1 59 59 LEU CG C 13 26.668 0.000 . . . . . . . 817 L CG . 53778 1 709 . 1 . 1 59 59 LEU CD1 C 13 23.287 0.000 . . . . . . . 817 L CD1 . 53778 1 710 . 1 . 1 59 59 LEU CD2 C 13 25.513 0.000 . . . . . . . 817 L CD2 . 53778 1 711 . 1 . 1 59 59 LEU N N 15 120.340 0.000 . . . . . . . 817 L N . 53778 1 712 . 1 . 1 60 60 VAL H H 1 7.675 0.000 . . . . . . . 818 V H . 53778 1 713 . 1 . 1 60 60 VAL HA H 1 4.325 0.000 . . . . . . . 818 V HA . 53778 1 714 . 1 . 1 60 60 VAL HB H 1 1.918 0.000 . . . . . . . 818 V HB . 53778 1 715 . 1 . 1 60 60 VAL HG11 H 1 0.032 0.010 . . . . . . . 818 V QG1 . 53778 1 716 . 1 . 1 60 60 VAL HG12 H 1 0.032 0.010 . . . . . . . 818 V QG1 . 53778 1 717 . 1 . 1 60 60 VAL HG13 H 1 0.032 0.010 . . . . . . . 818 V QG1 . 53778 1 718 . 1 . 1 60 60 VAL HG21 H 1 0.653 0.000 . . . . . . . 818 V QG2 . 53778 1 719 . 1 . 1 60 60 VAL HG22 H 1 0.653 0.000 . . . . . . . 818 V QG2 . 53778 1 720 . 1 . 1 60 60 VAL HG23 H 1 0.653 0.000 . . . . . . . 818 V QG2 . 53778 1 721 . 1 . 1 60 60 VAL C C 13 175.216 0.000 . . . . . . . 818 V C . 53778 1 722 . 1 . 1 60 60 VAL CA C 13 62.267 0.000 . . . . . . . 818 V CA . 53778 1 723 . 1 . 1 60 60 VAL CB C 13 32.643 0.000 . . . . . . . 818 V CB . 53778 1 724 . 1 . 1 60 60 VAL CG1 C 13 21.620 0.010 . . . . . . . 818 V CG1 . 53778 1 725 . 1 . 1 60 60 VAL CG2 C 13 21.836 0.000 . . . . . . . 818 V CG2 . 53778 1 726 . 1 . 1 60 60 VAL N N 15 110.922 0.000 . . . . . . . 818 V N . 53778 1 727 . 1 . 1 61 61 ASP H H 1 8.113 0.000 . . . . . . . 819 D H . 53778 1 728 . 1 . 1 61 61 ASP HA H 1 5.167 0.000 . . . . . . . 819 D HA . 53778 1 729 . 1 . 1 61 61 ASP HB2 H 1 2.083 0.000 . . . . . . . 819 D HB2 . 53778 1 730 . 1 . 1 61 61 ASP HB3 H 1 2.786 0.000 . . . . . . . 819 D HB3 . 53778 1 731 . 1 . 1 61 61 ASP C C 13 179.320 0.000 . . . . . . . 819 D C . 53778 1 732 . 1 . 1 61 61 ASP CA C 13 51.937 0.000 . . . . . . . 819 D CA . 53778 1 733 . 1 . 1 61 61 ASP CB C 13 41.404 0.000 . . . . . . . 819 D CB . 53778 1 734 . 1 . 1 61 61 ASP N N 15 120.118 0.000 . . . . . . . 819 D N . 53778 1 735 . 1 . 1 62 62 PRO HA H 1 4.323 0.000 . . . . . . . 820 P HA . 53778 1 736 . 1 . 1 62 62 PRO HB2 H 1 1.890 0.000 . . . . . . . 820 P HB2 . 53778 1 737 . 1 . 1 62 62 PRO HB3 H 1 2.350 0.000 . . . . . . . 820 P HB3 . 53778 1 738 . 1 . 1 62 62 PRO HG2 H 1 1.821 0.000 . . . . . . . 820 P HG2 . 53778 1 739 . 1 . 1 62 62 PRO HG3 H 1 2.016 0.000 . . . . . . . 820 P HG3 . 53778 1 740 . 1 . 1 62 62 PRO HD2 H 1 3.222 0.000 . . . . . . . 820 P HD2 . 53778 1 741 . 1 . 1 62 62 PRO HD3 H 1 3.653 0.000 . . . . . . . 820 P HD3 . 53778 1 742 . 1 . 1 62 62 PRO C C 13 177.592 0.000 . . . . . . . 820 P C . 53778 1 743 . 1 . 1 62 62 PRO CA C 13 64.624 0.000 . . . . . . . 820 P CA . 53778 1 744 . 1 . 1 62 62 PRO CB C 13 31.598 0.000 . . . . . . . 820 P CB . 53778 1 745 . 1 . 1 62 62 PRO CG C 13 27.280 0.000 . . . . . . . 820 P CG . 53778 1 746 . 1 . 1 62 62 PRO CD C 13 50.761 0.000 . . . . . . . 820 P CD . 53778 1 747 . 1 . 1 63 63 ASN H H 1 8.575 0.000 . . . . . . . 821 N H . 53778 1 748 . 1 . 1 63 63 ASN HA H 1 4.749 0.000 . . . . . . . 821 N HA . 53778 1 749 . 1 . 1 63 63 ASN HB2 H 1 2.719 0.010 . . . . . . . 821 N HB2 . 53778 1 750 . 1 . 1 63 63 ASN HB3 H 1 2.785 0.010 . . . . . . . 821 N HB3 . 53778 1 751 . 1 . 1 63 63 ASN HD21 H 1 6.986 0.000 . . . . . . . 821 N HD21 . 53778 1 752 . 1 . 1 63 63 ASN HD22 H 1 7.465 0.000 . . . . . . . 821 N HD22 . 53778 1 753 . 1 . 1 63 63 ASN C C 13 175.304 0.000 . . . . . . . 821 N C . 53778 1 754 . 1 . 1 63 63 ASN CA C 13 52.630 0.000 . . . . . . . 821 N CA . 53778 1 755 . 1 . 1 63 63 ASN CB C 13 37.990 0.000 . . . . . . . 821 N CB . 53778 1 756 . 1 . 1 63 63 ASN N N 15 114.014 0.000 . . . . . . . 821 N N . 53778 1 757 . 1 . 1 63 63 ASN ND2 N 15 113.317 0.000 . . . . . . . 821 N ND2 . 53778 1 758 . 1 . 1 64 64 HIS H H 1 8.040 0.000 . . . . . . . 822 H H . 53778 1 759 . 1 . 1 64 64 HIS HA H 1 4.199 0.000 . . . . . . . 822 H HA . 53778 1 760 . 1 . 1 64 64 HIS HB2 H 1 3.220 0.000 . . . . . . . 822 H HB2 . 53778 1 761 . 1 . 1 64 64 HIS HB3 H 1 3.319 0.000 . . . . . . . 822 H HB3 . 53778 1 762 . 1 . 1 64 64 HIS HD1 H 1 4.794 0.010 . . . . . . . 822 H HD1 . 53778 1 763 . 1 . 1 64 64 HIS HD2 H 1 7.086 0.000 . . . . . . . 822 H HD2 . 53778 1 764 . 1 . 1 64 64 HIS HE1 H 1 7.998 0.010 . . . . . . . 822 H HE1 . 53778 1 765 . 1 . 1 64 64 HIS C C 13 175.309 0.000 . . . . . . . 822 H C . 53778 1 766 . 1 . 1 64 64 HIS CA C 13 56.701 0.000 . . . . . . . 822 H CA . 53778 1 767 . 1 . 1 64 64 HIS CB C 13 26.354 0.000 . . . . . . . 822 H CB . 53778 1 768 . 1 . 1 64 64 HIS CD2 C 13 120.621 0.000 . . . . . . . 822 H CD2 . 53778 1 769 . 1 . 1 64 64 HIS N N 15 116.777 0.000 . . . . . . . 822 H N . 53778 1 770 . 1 . 1 64 64 HIS ND1 N 15 114.620 0.010 . . . . . . . 822 H ND1 . 53778 1 771 . 1 . 1 65 65 SER H H 1 9.766 0.000 . . . . . . . 823 S H . 53778 1 772 . 1 . 1 65 65 SER HA H 1 4.259 0.000 . . . . . . . 823 S HA . 53778 1 773 . 1 . 1 65 65 SER HB2 H 1 3.871 0.000 . . . . . . . 823 S HB2 . 53778 1 774 . 1 . 1 65 65 SER HB3 H 1 4.757 0.000 . . . . . . . 823 S HB3 . 53778 1 775 . 1 . 1 65 65 SER C C 13 176.656 0.000 . . . . . . . 823 S C . 53778 1 776 . 1 . 1 65 65 SER CA C 13 60.754 0.000 . . . . . . . 823 S CA . 53778 1 777 . 1 . 1 65 65 SER CB C 13 63.730 0.000 . . . . . . . 823 S CB . 53778 1 778 . 1 . 1 65 65 SER N N 15 119.259 0.000 . . . . . . . 823 S N . 53778 1 779 . 1 . 1 66 66 GLY H H 1 10.617 0.000 . . . . . . . 824 G H . 53778 1 780 . 1 . 1 66 66 GLY HA2 H 1 3.439 0.000 . . . . . . . 824 G HA2 . 53778 1 781 . 1 . 1 66 66 GLY HA3 H 1 4.147 0.000 . . . . . . . 824 G HA3 . 53778 1 782 . 1 . 1 66 66 GLY C C 13 172.729 0.000 . . . . . . . 824 G C . 53778 1 783 . 1 . 1 66 66 GLY CA C 13 45.106 0.000 . . . . . . . 824 G CA . 53778 1 784 . 1 . 1 66 66 GLY N N 15 114.509 0.000 . . . . . . . 824 G N . 53778 1 785 . 1 . 1 67 67 LEU H H 1 7.662 0.000 . . . . . . . 825 L H . 53778 1 786 . 1 . 1 67 67 LEU HA H 1 4.763 0.000 . . . . . . . 825 L HA . 53778 1 787 . 1 . 1 67 67 LEU HB2 H 1 1.114 0.000 . . . . . . . 825 L HB2 . 53778 1 788 . 1 . 1 67 67 LEU HB3 H 1 1.406 0.000 . . . . . . . 825 L HB3 . 53778 1 789 . 1 . 1 67 67 LEU HG H 1 1.379 0.000 . . . . . . . 825 L HG . 53778 1 790 . 1 . 1 67 67 LEU HD11 H 1 0.739 0.000 . . . . . . . 825 L QD1 . 53778 1 791 . 1 . 1 67 67 LEU HD12 H 1 0.739 0.000 . . . . . . . 825 L QD1 . 53778 1 792 . 1 . 1 67 67 LEU HD13 H 1 0.739 0.000 . . . . . . . 825 L QD1 . 53778 1 793 . 1 . 1 67 67 LEU HD21 H 1 0.733 0.000 . . . . . . . 825 L QD2 . 53778 1 794 . 1 . 1 67 67 LEU HD22 H 1 0.733 0.000 . . . . . . . 825 L QD2 . 53778 1 795 . 1 . 1 67 67 LEU HD23 H 1 0.733 0.000 . . . . . . . 825 L QD2 . 53778 1 796 . 1 . 1 67 67 LEU C C 13 175.054 0.000 . . . . . . . 825 L C . 53778 1 797 . 1 . 1 67 67 LEU CA C 13 53.436 0.000 . . . . . . . 825 L CA . 53778 1 798 . 1 . 1 67 67 LEU CB C 13 46.222 0.000 . . . . . . . 825 L CB . 53778 1 799 . 1 . 1 67 67 LEU CG C 13 26.135 0.000 . . . . . . . 825 L CG . 53778 1 800 . 1 . 1 67 67 LEU CD1 C 13 23.643 0.000 . . . . . . . 825 L CD1 . 53778 1 801 . 1 . 1 67 67 LEU CD2 C 13 25.298 0.000 . . . . . . . 825 L CD2 . 53778 1 802 . 1 . 1 67 67 LEU N N 15 118.989 0.000 . . . . . . . 825 L N . 53778 1 803 . 1 . 1 68 68 VAL H H 1 8.939 0.000 . . . . . . . 826 V H . 53778 1 804 . 1 . 1 68 68 VAL HA H 1 4.094 0.000 . . . . . . . 826 V HA . 53778 1 805 . 1 . 1 68 68 VAL HB H 1 1.895 0.000 . . . . . . . 826 V HB . 53778 1 806 . 1 . 1 68 68 VAL HG11 H 1 0.015 0.000 . . . . . . . 826 V QG1 . 53778 1 807 . 1 . 1 68 68 VAL HG12 H 1 0.015 0.000 . . . . . . . 826 V QG1 . 53778 1 808 . 1 . 1 68 68 VAL HG13 H 1 0.015 0.000 . . . . . . . 826 V QG1 . 53778 1 809 . 1 . 1 68 68 VAL HG21 H 1 0.590 0.000 . . . . . . . 826 V QG2 . 53778 1 810 . 1 . 1 68 68 VAL HG22 H 1 0.590 0.000 . . . . . . . 826 V QG2 . 53778 1 811 . 1 . 1 68 68 VAL HG23 H 1 0.590 0.000 . . . . . . . 826 V QG2 . 53778 1 812 . 1 . 1 68 68 VAL C C 13 176.625 0.000 . . . . . . . 826 V C . 53778 1 813 . 1 . 1 68 68 VAL CA C 13 62.033 0.000 . . . . . . . 826 V CA . 53778 1 814 . 1 . 1 68 68 VAL CB C 13 32.382 0.000 . . . . . . . 826 V CB . 53778 1 815 . 1 . 1 68 68 VAL CG1 C 13 19.950 0.000 . . . . . . . 826 V CG1 . 53778 1 816 . 1 . 1 68 68 VAL CG2 C 13 20.403 0.000 . . . . . . . 826 V CG2 . 53778 1 817 . 1 . 1 68 68 VAL N N 15 120.856 0.000 . . . . . . . 826 V N . 53778 1 818 . 1 . 1 69 69 THR H H 1 7.733 0.000 . . . . . . . 827 T H . 53778 1 819 . 1 . 1 69 69 THR HA H 1 4.649 0.000 . . . . . . . 827 T HA . 53778 1 820 . 1 . 1 69 69 THR HB H 1 4.792 0.000 . . . . . . . 827 T HB . 53778 1 821 . 1 . 1 69 69 THR HG21 H 1 1.349 0.000 . . . . . . . 827 T QG2 . 53778 1 822 . 1 . 1 69 69 THR HG22 H 1 1.349 0.000 . . . . . . . 827 T QG2 . 53778 1 823 . 1 . 1 69 69 THR HG23 H 1 1.349 0.000 . . . . . . . 827 T QG2 . 53778 1 824 . 1 . 1 69 69 THR C C 13 174.810 0.000 . . . . . . . 827 T C . 53778 1 825 . 1 . 1 69 69 THR CA C 13 60.917 0.000 . . . . . . . 827 T CA . 53778 1 826 . 1 . 1 69 69 THR CB C 13 71.067 0.000 . . . . . . . 827 T CB . 53778 1 827 . 1 . 1 69 69 THR CG2 C 13 22.155 0.000 . . . . . . . 827 T CG2 . 53778 1 828 . 1 . 1 69 69 THR N N 15 116.851 0.000 . . . . . . . 827 T N . 53778 1 829 . 1 . 1 70 70 PHE H H 1 9.139 0.000 . . . . . . . 828 F H . 53778 1 830 . 1 . 1 70 70 PHE HA H 1 3.642 0.000 . . . . . . . 828 F HA . 53778 1 831 . 1 . 1 70 70 PHE HB2 H 1 2.336 0.000 . . . . . . . 828 F HB2 . 53778 1 832 . 1 . 1 70 70 PHE HB3 H 1 2.669 0.000 . . . . . . . 828 F HB3 . 53778 1 833 . 1 . 1 70 70 PHE HD1 H 1 6.426 0.000 . . . . . . . 828 F HD1 . 53778 1 834 . 1 . 1 70 70 PHE HD2 H 1 6.436 0.000 . . . . . . . 828 F HD2 . 53778 1 835 . 1 . 1 70 70 PHE HE1 H 1 7.091 0.010 . . . . . . . 828 F HE1 . 53778 1 836 . 1 . 1 70 70 PHE HE2 H 1 7.288 0.010 . . . . . . . 828 F HE2 . 53778 1 837 . 1 . 1 70 70 PHE HZ H 1 6.732 0.010 . . . . . . . 828 F HZ . 53778 1 838 . 1 . 1 70 70 PHE C C 13 176.887 0.000 . . . . . . . 828 F C . 53778 1 839 . 1 . 1 70 70 PHE CA C 13 61.887 0.000 . . . . . . . 828 F CA . 53778 1 840 . 1 . 1 70 70 PHE CB C 13 38.441 0.000 . . . . . . . 828 F CB . 53778 1 841 . 1 . 1 70 70 PHE CD1 C 13 131.715 0.000 . . . . . . . 828 F CD1 . 53778 1 842 . 1 . 1 70 70 PHE CE1 C 13 132.979 0.010 . . . . . . . 828 F CE1 . 53778 1 843 . 1 . 1 70 70 PHE CZ C 13 131.026 0.000 . . . . . . . 828 F CZ . 53778 1 844 . 1 . 1 70 70 PHE N N 15 121.664 0.000 . . . . . . . 828 F N . 53778 1 845 . 1 . 1 71 71 GLN H H 1 8.526 0.000 . . . . . . . 829 Q H . 53778 1 846 . 1 . 1 71 71 GLN HA H 1 3.626 0.000 . . . . . . . 829 Q HA . 53778 1 847 . 1 . 1 71 71 GLN HB2 H 1 1.902 0.000 . . . . . . . 829 Q HB2 . 53778 1 848 . 1 . 1 71 71 GLN HB3 H 1 2.133 0.000 . . . . . . . 829 Q HB3 . 53778 1 849 . 1 . 1 71 71 GLN HG2 H 1 2.326 0.000 . . . . . . . 829 Q HG2 . 53778 1 850 . 1 . 1 71 71 GLN HG3 H 1 2.406 0.010 . . . . . . . 829 Q HG3 . 53778 1 851 . 1 . 1 71 71 GLN HE21 H 1 6.900 0.010 . . . . . . . 829 Q HE21 . 53778 1 852 . 1 . 1 71 71 GLN HE22 H 1 7.476 0.000 . . . . . . . 829 Q HE22 . 53778 1 853 . 1 . 1 71 71 GLN C C 13 177.557 0.000 . . . . . . . 829 Q C . 53778 1 854 . 1 . 1 71 71 GLN CA C 13 58.784 0.000 . . . . . . . 829 Q CA . 53778 1 855 . 1 . 1 71 71 GLN CB C 13 28.220 0.000 . . . . . . . 829 Q CB . 53778 1 856 . 1 . 1 71 71 GLN CG C 13 33.879 0.000 . . . . . . . 829 Q CG . 53778 1 857 . 1 . 1 71 71 GLN N N 15 116.616 0.000 . . . . . . . 829 Q N . 53778 1 858 . 1 . 1 71 71 GLN NE2 N 15 111.886 0.010 . . . . . . . 829 Q NE2 . 53778 1 859 . 1 . 1 72 72 ALA H H 1 7.681 0.000 . . . . . . . 830 A H . 53778 1 860 . 1 . 1 72 72 ALA HA H 1 4.148 0.000 . . . . . . . 830 A HA . 53778 1 861 . 1 . 1 72 72 ALA HB1 H 1 1.616 0.000 . . . . . . . 830 A HB# . 53778 1 862 . 1 . 1 72 72 ALA HB2 H 1 1.616 0.000 . . . . . . . 830 A HB# . 53778 1 863 . 1 . 1 72 72 ALA HB3 H 1 1.616 0.000 . . . . . . . 830 A HB# . 53778 1 864 . 1 . 1 72 72 ALA C C 13 180.686 0.000 . . . . . . . 830 A C . 53778 1 865 . 1 . 1 72 72 ALA CA C 13 54.992 0.000 . . . . . . . 830 A CA . 53778 1 866 . 1 . 1 72 72 ALA CB C 13 19.189 0.000 . . . . . . . 830 A CB . 53778 1 867 . 1 . 1 72 72 ALA N N 15 121.485 0.000 . . . . . . . 830 A N . 53778 1 868 . 1 . 1 73 73 PHE H H 1 8.480 0.000 . . . . . . . 831 F H . 53778 1 869 . 1 . 1 73 73 PHE HA H 1 3.999 0.000 . . . . . . . 831 F HA . 53778 1 870 . 1 . 1 73 73 PHE HB2 H 1 3.134 0.000 . . . . . . . 831 F HB2 . 53778 1 871 . 1 . 1 73 73 PHE HB3 H 1 3.385 0.000 . . . . . . . 831 F HB3 . 53778 1 872 . 1 . 1 73 73 PHE HD1 H 1 7.053 0.010 . . . . . . . 831 F HD1 . 53778 1 873 . 1 . 1 73 73 PHE HD2 H 1 7.689 0.010 . . . . . . . 831 F HD2 . 53778 1 874 . 1 . 1 73 73 PHE HE1 H 1 6.421 0.010 . . . . . . . 831 F HE1 . 53778 1 875 . 1 . 1 73 73 PHE HE2 H 1 7.651 0.010 . . . . . . . 831 F HE2 . 53778 1 876 . 1 . 1 73 73 PHE HZ H 1 7.681 0.010 . . . . . . . 831 F HZ . 53778 1 877 . 1 . 1 73 73 PHE C C 13 176.642 0.000 . . . . . . . 831 F C . 53778 1 878 . 1 . 1 73 73 PHE CA C 13 61.873 0.000 . . . . . . . 831 F CA . 53778 1 879 . 1 . 1 73 73 PHE CB C 13 39.778 0.000 . . . . . . . 831 F CB . 53778 1 880 . 1 . 1 73 73 PHE CD1 C 13 131.712 0.000 . . . . . . . 831 F CD1 . 53778 1 881 . 1 . 1 73 73 PHE CE1 C 13 131.710 0.000 . . . . . . . 831 F CE1 . 53778 1 882 . 1 . 1 73 73 PHE CZ C 13 132.177 0.010 . . . . . . . 831 F CZ . 53778 1 883 . 1 . 1 73 73 PHE N N 15 119.951 0.000 . . . . . . . 831 F N . 53778 1 884 . 1 . 1 74 74 ILE H H 1 8.436 0.000 . . . . . . . 832 I H . 53778 1 885 . 1 . 1 74 74 ILE HA H 1 3.159 0.000 . . . . . . . 832 I HA . 53778 1 886 . 1 . 1 74 74 ILE HB H 1 1.651 0.000 . . . . . . . 832 I HB . 53778 1 887 . 1 . 1 74 74 ILE HG12 H 1 0.946 0.000 . . . . . . . 832 I HG12 . 53778 1 888 . 1 . 1 74 74 ILE HG13 H 1 0.954 0.000 . . . . . . . 832 I HG13 . 53778 1 889 . 1 . 1 74 74 ILE HG21 H 1 0.584 0.000 . . . . . . . 832 I QG2 . 53778 1 890 . 1 . 1 74 74 ILE HG22 H 1 0.584 0.000 . . . . . . . 832 I QG2 . 53778 1 891 . 1 . 1 74 74 ILE HG23 H 1 0.584 0.000 . . . . . . . 832 I QG2 . 53778 1 892 . 1 . 1 74 74 ILE HD11 H 1 0.582 0.000 . . . . . . . 832 I QD1 . 53778 1 893 . 1 . 1 74 74 ILE HD12 H 1 0.582 0.000 . . . . . . . 832 I QD1 . 53778 1 894 . 1 . 1 74 74 ILE HD13 H 1 0.582 0.000 . . . . . . . 832 I QD1 . 53778 1 895 . 1 . 1 74 74 ILE C C 13 178.834 0.000 . . . . . . . 832 I C . 53778 1 896 . 1 . 1 74 74 ILE CA C 13 63.755 0.000 . . . . . . . 832 I CA . 53778 1 897 . 1 . 1 74 74 ILE CB C 13 36.323 0.000 . . . . . . . 832 I CB . 53778 1 898 . 1 . 1 74 74 ILE CG1 C 13 26.518 0.000 . . . . . . . 832 I CG1 . 53778 1 899 . 1 . 1 74 74 ILE CG2 C 13 18.698 0.000 . . . . . . . 832 I CG2 . 53778 1 900 . 1 . 1 74 74 ILE CD1 C 13 12.697 0.000 . . . . . . . 832 I CD1 . 53778 1 901 . 1 . 1 74 74 ILE N N 15 117.956 0.000 . . . . . . . 832 I N . 53778 1 902 . 1 . 1 75 75 ASP H H 1 8.132 0.000 . . . . . . . 833 D H . 53778 1 903 . 1 . 1 75 75 ASP HA H 1 4.212 0.000 . . . . . . . 833 D HA . 53778 1 904 . 1 . 1 75 75 ASP HB2 H 1 2.651 0.000 . . . . . . . 833 D HB2 . 53778 1 905 . 1 . 1 75 75 ASP HB3 H 1 2.779 0.010 . . . . . . . 833 D HB3 . 53778 1 906 . 1 . 1 75 75 ASP C C 13 178.521 0.000 . . . . . . . 833 D C . 53778 1 907 . 1 . 1 75 75 ASP CA C 13 57.820 0.000 . . . . . . . 833 D CA . 53778 1 908 . 1 . 1 75 75 ASP CB C 13 40.395 0.000 . . . . . . . 833 D CB . 53778 1 909 . 1 . 1 75 75 ASP N N 15 123.597 0.000 . . . . . . . 833 D N . 53778 1 910 . 1 . 1 76 76 PHE H H 1 7.830 0.000 . . . . . . . 834 F H . 53778 1 911 . 1 . 1 76 76 PHE HA H 1 4.150 0.000 . . . . . . . 834 F HA . 53778 1 912 . 1 . 1 76 76 PHE HB2 H 1 2.988 0.000 . . . . . . . 834 F HB2 . 53778 1 913 . 1 . 1 76 76 PHE HB3 H 1 3.139 0.000 . . . . . . . 834 F HB3 . 53778 1 914 . 1 . 1 76 76 PHE HD1 H 1 6.933 0.010 . . . . . . . 834 F HD1 . 53778 1 915 . 1 . 1 76 76 PHE HD2 H 1 7.099 0.010 . . . . . . . 834 F HD2 . 53778 1 916 . 1 . 1 76 76 PHE HE1 H 1 6.931 0.010 . . . . . . . 834 F HE1 . 53778 1 917 . 1 . 1 76 76 PHE HE2 H 1 7.762 0.010 . . . . . . . 834 F HE2 . 53778 1 918 . 1 . 1 76 76 PHE HZ H 1 6.428 0.010 . . . . . . . 834 F HZ . 53778 1 919 . 1 . 1 76 76 PHE C C 13 177.513 0.000 . . . . . . . 834 F C . 53778 1 920 . 1 . 1 76 76 PHE CA C 13 61.162 0.000 . . . . . . . 834 F CA . 53778 1 921 . 1 . 1 76 76 PHE CB C 13 39.697 0.000 . . . . . . . 834 F CB . 53778 1 922 . 1 . 1 76 76 PHE CD1 C 13 133.415 0.010 . . . . . . . 834 F CD1 . 53778 1 923 . 1 . 1 76 76 PHE CE1 C 13 133.364 0.010 . . . . . . . 834 F CE1 . 53778 1 924 . 1 . 1 76 76 PHE CZ C 13 132.514 0.010 . . . . . . . 834 F CZ . 53778 1 925 . 1 . 1 76 76 PHE N N 15 120.582 0.000 . . . . . . . 834 F N . 53778 1 926 . 1 . 1 77 77 MET H H 1 8.405 0.000 . . . . . . . 835 M H . 53778 1 927 . 1 . 1 77 77 MET HA H 1 3.790 0.000 . . . . . . . 835 M HA . 53778 1 928 . 1 . 1 77 77 MET HB2 H 1 1.025 0.000 . . . . . . . 835 M HB2 . 53778 1 929 . 1 . 1 77 77 MET HB3 H 1 1.055 0.000 . . . . . . . 835 M HB3 . 53778 1 930 . 1 . 1 77 77 MET HG2 H 1 1.260 0.000 . . . . . . . 835 M HG2 . 53778 1 931 . 1 . 1 77 77 MET HG3 H 1 1.612 0.000 . . . . . . . 835 M HG3 . 53778 1 932 . 1 . 1 77 77 MET HE1 H 1 3.088 0.000 . . . . . . . 835 M HE# . 53778 1 933 . 1 . 1 77 77 MET HE2 H 1 3.088 0.000 . . . . . . . 835 M HE# . 53778 1 934 . 1 . 1 77 77 MET HE3 H 1 3.088 0.000 . . . . . . . 835 M HE# . 53778 1 935 . 1 . 1 77 77 MET C C 13 179.174 0.000 . . . . . . . 835 M C . 53778 1 936 . 1 . 1 77 77 MET CA C 13 55.840 0.000 . . . . . . . 835 M CA . 53778 1 937 . 1 . 1 77 77 MET CB C 13 30.133 0.000 . . . . . . . 835 M CB . 53778 1 938 . 1 . 1 77 77 MET CG C 13 31.586 0.000 . . . . . . . 835 M CG . 53778 1 939 . 1 . 1 77 77 MET CE C 13 27.647 0.000 . . . . . . . 835 M CE . 53778 1 940 . 1 . 1 77 77 MET N N 15 117.078 0.000 . . . . . . . 835 M N . 53778 1 941 . 1 . 1 78 78 SER H H 1 8.078 0.000 . . . . . . . 836 S H . 53778 1 942 . 1 . 1 78 78 SER HA H 1 4.258 0.000 . . . . . . . 836 S HA . 53778 1 943 . 1 . 1 78 78 SER HB2 H 1 4.017 0.010 . . . . . . . 836 S HB2 . 53778 1 944 . 1 . 1 78 78 SER HB3 H 1 4.793 0.000 . . . . . . . 836 S HB3 . 53778 1 945 . 1 . 1 78 78 SER C C 13 175.121 0.000 . . . . . . . 836 S C . 53778 1 946 . 1 . 1 78 78 SER CA C 13 60.646 0.000 . . . . . . . 836 S CA . 53778 1 947 . 1 . 1 78 78 SER CB C 13 63.581 0.000 . . . . . . . 836 S CB . 53778 1 948 . 1 . 1 78 78 SER N N 15 114.061 0.000 . . . . . . . 836 S N . 53778 1 949 . 1 . 1 79 79 ARG H H 1 7.279 0.000 . . . . . . . 837 R H . 53778 1 950 . 1 . 1 79 79 ARG HA H 1 4.175 0.000 . . . . . . . 837 R HA . 53778 1 951 . 1 . 1 79 79 ARG HB2 H 1 1.838 0.000 . . . . . . . 837 R HB2 . 53778 1 952 . 1 . 1 79 79 ARG HB3 H 1 1.841 0.000 . . . . . . . 837 R HB3 . 53778 1 953 . 1 . 1 79 79 ARG HG2 H 1 1.600 0.000 . . . . . . . 837 R HG2 . 53778 1 954 . 1 . 1 79 79 ARG HG3 H 1 1.678 0.010 . . . . . . . 837 R HG3 . 53778 1 955 . 1 . 1 79 79 ARG HD2 H 1 3.162 0.000 . . . . . . . 837 R HD2 . 53778 1 956 . 1 . 1 79 79 ARG HD3 H 1 3.160 0.000 . . . . . . . 837 R HD3 . 53778 1 957 . 1 . 1 79 79 ARG HE H 1 6.864 0.000 . . . . . . . 837 R HE . 53778 1 958 . 1 . 1 79 79 ARG C C 13 177.281 0.000 . . . . . . . 837 R C . 53778 1 959 . 1 . 1 79 79 ARG CA C 13 57.398 0.000 . . . . . . . 837 R CA . 53778 1 960 . 1 . 1 79 79 ARG CB C 13 30.402 0.000 . . . . . . . 837 R CB . 53778 1 961 . 1 . 1 79 79 ARG CG C 13 27.376 0.000 . . . . . . . 837 R CG . 53778 1 962 . 1 . 1 79 79 ARG CD C 13 43.477 0.000 . . . . . . . 837 R CD . 53778 1 963 . 1 . 1 79 79 ARG N N 15 121.650 0.000 . . . . . . . 837 R N . 53778 1 964 . 1 . 1 80 80 GLU H H 1 7.988 0.000 . . . . . . . 838 E H . 53778 1 965 . 1 . 1 80 80 GLU HA H 1 4.174 0.000 . . . . . . . 838 E HA . 53778 1 966 . 1 . 1 80 80 GLU HB2 H 1 1.807 0.000 . . . . . . . 838 E HB2 . 53778 1 967 . 1 . 1 80 80 GLU HB3 H 1 2.000 0.010 . . . . . . . 838 E HB3 . 53778 1 968 . 1 . 1 80 80 GLU HG2 H 1 1.855 0.000 . . . . . . . 838 E HG2 . 53778 1 969 . 1 . 1 80 80 GLU HG3 H 1 1.861 0.010 . . . . . . . 838 E HG3 . 53778 1 970 . 1 . 1 80 80 GLU C C 13 177.343 0.000 . . . . . . . 838 E C . 53778 1 971 . 1 . 1 80 80 GLU CA C 13 57.119 0.000 . . . . . . . 838 E CA . 53778 1 972 . 1 . 1 80 80 GLU CB C 13 30.474 0.000 . . . . . . . 838 E CB . 53778 1 973 . 1 . 1 80 80 GLU CG C 13 36.413 0.000 . . . . . . . 838 E CG . 53778 1 974 . 1 . 1 80 80 GLU N N 15 119.869 0.000 . . . . . . . 838 E N . 53778 1 975 . 1 . 1 81 81 THR H H 1 7.880 0.000 . . . . . . . 839 T H . 53778 1 976 . 1 . 1 81 81 THR HA H 1 4.409 0.000 . . . . . . . 839 T HA . 53778 1 977 . 1 . 1 81 81 THR HB H 1 4.319 0.000 . . . . . . . 839 T HB . 53778 1 978 . 1 . 1 81 81 THR HG21 H 1 1.251 0.000 . . . . . . . 839 T QG2 . 53778 1 979 . 1 . 1 81 81 THR HG22 H 1 1.251 0.000 . . . . . . . 839 T QG2 . 53778 1 980 . 1 . 1 81 81 THR HG23 H 1 1.251 0.000 . . . . . . . 839 T QG2 . 53778 1 981 . 1 . 1 81 81 THR C C 13 174.834 0.000 . . . . . . . 839 T C . 53778 1 982 . 1 . 1 81 81 THR CA C 13 62.129 0.000 . . . . . . . 839 T CA . 53778 1 983 . 1 . 1 81 81 THR CB C 13 69.870 0.000 . . . . . . . 839 T CB . 53778 1 984 . 1 . 1 81 81 THR CG2 C 13 21.602 0.000 . . . . . . . 839 T CG2 . 53778 1 985 . 1 . 1 81 81 THR N N 15 112.701 0.000 . . . . . . . 839 T N . 53778 1 986 . 1 . 1 82 82 THR H H 1 8.026 0.000 . . . . . . . 840 T H . 53778 1 987 . 1 . 1 82 82 THR HA H 1 4.397 0.010 . . . . . . . 840 T HA . 53778 1 988 . 1 . 1 82 82 THR HB H 1 4.267 0.000 . . . . . . . 840 T HB . 53778 1 989 . 1 . 1 82 82 THR HG21 H 1 1.198 0.000 . . . . . . . 840 T QG2 . 53778 1 990 . 1 . 1 82 82 THR HG22 H 1 1.198 0.000 . . . . . . . 840 T QG2 . 53778 1 991 . 1 . 1 82 82 THR HG23 H 1 1.198 0.000 . . . . . . . 840 T QG2 . 53778 1 992 . 1 . 1 82 82 THR C C 13 174.517 0.000 . . . . . . . 840 T C . 53778 1 993 . 1 . 1 82 82 THR CA C 13 62.183 0.000 . . . . . . . 840 T CA . 53778 1 994 . 1 . 1 82 82 THR CB C 13 69.823 0.000 . . . . . . . 840 T CB . 53778 1 995 . 1 . 1 82 82 THR CG2 C 13 21.642 0.000 . . . . . . . 840 T CG2 . 53778 1 996 . 1 . 1 82 82 THR N N 15 116.177 0.000 . . . . . . . 840 T N . 53778 1 997 . 1 . 1 83 83 ASP H H 1 8.433 0.000 . . . . . . . 841 D H . 53778 1 998 . 1 . 1 83 83 ASP HA H 1 4.739 0.010 . . . . . . . 841 D HA . 53778 1 999 . 1 . 1 83 83 ASP HB2 H 1 2.262 0.010 . . . . . . . 841 D HB2 . 53778 1 1000 . 1 . 1 83 83 ASP HB3 H 1 2.694 0.010 . . . . . . . 841 D HB3 . 53778 1 1001 . 1 . 1 83 83 ASP C C 13 177.107 0.000 . . . . . . . 841 D C . 53778 1 1002 . 1 . 1 83 83 ASP CA C 13 54.898 0.000 . . . . . . . 841 D CA . 53778 1 1003 . 1 . 1 83 83 ASP CB C 13 41.185 0.000 . . . . . . . 841 D CB . 53778 1 1004 . 1 . 1 83 83 ASP N N 15 123.197 0.000 . . . . . . . 841 D N . 53778 1 1005 . 1 . 1 84 84 THR H H 1 8.155 0.000 . . . . . . . 842 T H . 53778 1 1006 . 1 . 1 84 84 THR HA H 1 4.321 0.000 . . . . . . . 842 T HA . 53778 1 1007 . 1 . 1 84 84 THR HB H 1 4.262 0.000 . . . . . . . 842 T HB . 53778 1 1008 . 1 . 1 84 84 THR HG21 H 1 1.187 0.000 . . . . . . . 842 T QG2 . 53778 1 1009 . 1 . 1 84 84 THR HG22 H 1 1.187 0.000 . . . . . . . 842 T QG2 . 53778 1 1010 . 1 . 1 84 84 THR HG23 H 1 1.187 0.000 . . . . . . . 842 T QG2 . 53778 1 1011 . 1 . 1 84 84 THR C C 13 175.241 0.000 . . . . . . . 842 T C . 53778 1 1012 . 1 . 1 84 84 THR CA C 13 62.202 0.000 . . . . . . . 842 T CA . 53778 1 1013 . 1 . 1 84 84 THR CB C 13 69.711 0.000 . . . . . . . 842 T CB . 53778 1 1014 . 1 . 1 84 84 THR CG2 C 13 21.706 0.000 . . . . . . . 842 T CG2 . 53778 1 1015 . 1 . 1 84 84 THR N N 15 114.656 0.000 . . . . . . . 842 T N . 53778 1 1016 . 1 . 1 85 85 ASP H H 1 8.111 0.000 . . . . . . . 843 D H . 53778 1 1017 . 1 . 1 85 85 ASP HA H 1 4.692 0.010 . . . . . . . 843 D HA . 53778 1 1018 . 1 . 1 85 85 ASP HB2 H 1 2.704 0.010 . . . . . . . 843 D HB2 . 53778 1 1019 . 1 . 1 85 85 ASP HB3 H 1 2.723 0.010 . . . . . . . 843 D HB3 . 53778 1 1020 . 1 . 1 85 85 ASP C C 13 176.518 0.000 . . . . . . . 843 D C . 53778 1 1021 . 1 . 1 85 85 ASP CA C 13 54.739 0.000 . . . . . . . 843 D CA . 53778 1 1022 . 1 . 1 85 85 ASP CB C 13 41.080 0.000 . . . . . . . 843 D CB . 53778 1 1023 . 1 . 1 85 85 ASP N N 15 120.136 0.000 . . . . . . . 843 D N . 53778 1 1024 . 1 . 1 86 86 THR H H 1 8.157 0.000 . . . . . . . 844 T H . 53778 1 1025 . 1 . 1 86 86 THR HA H 1 4.204 0.000 . . . . . . . 844 T HA . 53778 1 1026 . 1 . 1 86 86 THR HB H 1 4.270 0.000 . . . . . . . 844 T HB . 53778 1 1027 . 1 . 1 86 86 THR HG21 H 1 1.178 0.000 . . . . . . . 844 T QG2 . 53778 1 1028 . 1 . 1 86 86 THR HG22 H 1 1.178 0.000 . . . . . . . 844 T QG2 . 53778 1 1029 . 1 . 1 86 86 THR HG23 H 1 1.178 0.000 . . . . . . . 844 T QG2 . 53778 1 1030 . 1 . 1 86 86 THR C C 13 175.457 0.000 . . . . . . . 844 T C . 53778 1 1031 . 1 . 1 86 86 THR CA C 13 63.315 0.000 . . . . . . . 844 T CA . 53778 1 1032 . 1 . 1 86 86 THR CB C 13 69.684 0.000 . . . . . . . 844 T CB . 53778 1 1033 . 1 . 1 86 86 THR CG2 C 13 22.021 0.000 . . . . . . . 844 T CG2 . 53778 1 1034 . 1 . 1 86 86 THR N N 15 114.599 0.000 . . . . . . . 844 T N . 53778 1 1035 . 1 . 1 87 87 ALA H H 1 8.413 0.000 . . . . . . . 845 A H . 53778 1 1036 . 1 . 1 87 87 ALA HA H 1 4.157 0.000 . . . . . . . 845 A HA . 53778 1 1037 . 1 . 1 87 87 ALA HB1 H 1 1.491 0.000 . . . . . . . 845 A HB# . 53778 1 1038 . 1 . 1 87 87 ALA HB2 H 1 1.491 0.000 . . . . . . . 845 A HB# . 53778 1 1039 . 1 . 1 87 87 ALA HB3 H 1 1.491 0.000 . . . . . . . 845 A HB# . 53778 1 1040 . 1 . 1 87 87 ALA C C 13 178.568 0.000 . . . . . . . 845 A C . 53778 1 1041 . 1 . 1 87 87 ALA CA C 13 54.793 0.000 . . . . . . . 845 A CA . 53778 1 1042 . 1 . 1 87 87 ALA CB C 13 18.671 0.000 . . . . . . . 845 A CB . 53778 1 1043 . 1 . 1 87 87 ALA N N 15 124.793 0.000 . . . . . . . 845 A N . 53778 1 1044 . 1 . 1 88 88 ASP H H 1 8.238 0.000 . . . . . . . 846 D H . 53778 1 1045 . 1 . 1 88 88 ASP HA H 1 4.439 0.000 . . . . . . . 846 D HA . 53778 1 1046 . 1 . 1 88 88 ASP HB2 H 1 2.688 0.000 . . . . . . . 846 D HB2 . 53778 1 1047 . 1 . 1 88 88 ASP HB3 H 1 2.694 0.000 . . . . . . . 846 D HB3 . 53778 1 1048 . 1 . 1 88 88 ASP C C 13 178.030 0.010 . . . . . . . 846 D C . 53778 1 1049 . 1 . 1 88 88 ASP CA C 13 56.633 0.000 . . . . . . . 846 D CA . 53778 1 1050 . 1 . 1 88 88 ASP CB C 13 40.873 0.000 . . . . . . . 846 D CB . 53778 1 1051 . 1 . 1 88 88 ASP N N 15 117.053 0.000 . . . . . . . 846 D N . 53778 1 1052 . 1 . 1 89 89 GLN H H 1 8.048 0.000 . . . . . . . 847 Q H . 53778 1 1053 . 1 . 1 89 89 GLN HA H 1 4.139 0.000 . . . . . . . 847 Q HA . 53778 1 1054 . 1 . 1 89 89 GLN HB2 H 1 2.113 0.010 . . . . . . . 847 Q HB2 . 53778 1 1055 . 1 . 1 89 89 GLN HB3 H 1 2.103 0.010 . . . . . . . 847 Q HB3 . 53778 1 1056 . 1 . 1 89 89 GLN HG2 H 1 2.359 0.000 . . . . . . . 847 Q HG2 . 53778 1 1057 . 1 . 1 89 89 GLN HG3 H 1 2.420 0.010 . . . . . . . 847 Q HG3 . 53778 1 1058 . 1 . 1 89 89 GLN HE21 H 1 6.805 0.000 . . . . . . . 847 Q HE21 . 53778 1 1059 . 1 . 1 89 89 GLN HE22 H 1 7.467 0.000 . . . . . . . 847 Q HE22 . 53778 1 1060 . 1 . 1 89 89 GLN C C 13 178.088 0.000 . . . . . . . 847 Q C . 53778 1 1061 . 1 . 1 89 89 GLN CA C 13 58.072 0.000 . . . . . . . 847 Q CA . 53778 1 1062 . 1 . 1 89 89 GLN CB C 13 28.722 0.000 . . . . . . . 847 Q CB . 53778 1 1063 . 1 . 1 89 89 GLN CG C 13 33.907 0.000 . . . . . . . 847 Q CG . 53778 1 1064 . 1 . 1 89 89 GLN N N 15 120.224 0.000 . . . . . . . 847 Q N . 53778 1 1065 . 1 . 1 89 89 GLN NE2 N 15 112.251 0.000 . . . . . . . 847 Q NE2 . 53778 1 1066 . 1 . 1 90 90 VAL H H 1 7.992 0.000 . . . . . . . 848 V H . 53778 1 1067 . 1 . 1 90 90 VAL HA H 1 3.567 0.000 . . . . . . . 848 V HA . 53778 1 1068 . 1 . 1 90 90 VAL HB H 1 2.004 0.000 . . . . . . . 848 V HB . 53778 1 1069 . 1 . 1 90 90 VAL HG11 H 1 0.546 0.000 . . . . . . . 848 V QG1 . 53778 1 1070 . 1 . 1 90 90 VAL HG12 H 1 0.546 0.000 . . . . . . . 848 V QG1 . 53778 1 1071 . 1 . 1 90 90 VAL HG13 H 1 0.546 0.000 . . . . . . . 848 V QG1 . 53778 1 1072 . 1 . 1 90 90 VAL HG21 H 1 0.877 0.000 . . . . . . . 848 V QG2 . 53778 1 1073 . 1 . 1 90 90 VAL HG22 H 1 0.877 0.000 . . . . . . . 848 V QG2 . 53778 1 1074 . 1 . 1 90 90 VAL HG23 H 1 0.877 0.000 . . . . . . . 848 V QG2 . 53778 1 1075 . 1 . 1 90 90 VAL C C 13 177.816 0.000 . . . . . . . 848 V C . 53778 1 1076 . 1 . 1 90 90 VAL CA C 13 65.493 0.000 . . . . . . . 848 V CA . 53778 1 1077 . 1 . 1 90 90 VAL CB C 13 31.670 0.000 . . . . . . . 848 V CB . 53778 1 1078 . 1 . 1 90 90 VAL CG1 C 13 21.634 0.000 . . . . . . . 848 V CG1 . 53778 1 1079 . 1 . 1 90 90 VAL CG2 C 13 22.127 0.000 . . . . . . . 848 V CG2 . 53778 1 1080 . 1 . 1 90 90 VAL N N 15 121.496 0.000 . . . . . . . 848 V N . 53778 1 1081 . 1 . 1 91 91 ILE H H 1 8.112 0.000 . . . . . . . 849 I H . 53778 1 1082 . 1 . 1 91 91 ILE HA H 1 3.579 0.000 . . . . . . . 849 I HA . 53778 1 1083 . 1 . 1 91 91 ILE HB H 1 1.911 0.000 . . . . . . . 849 I HB . 53778 1 1084 . 1 . 1 91 91 ILE HG12 H 1 1.407 0.000 . . . . . . . 849 I HG12 . 53778 1 1085 . 1 . 1 91 91 ILE HG13 H 1 1.791 0.000 . . . . . . . 849 I HG13 . 53778 1 1086 . 1 . 1 91 91 ILE HG21 H 1 1.034 0.000 . . . . . . . 849 I QG2 . 53778 1 1087 . 1 . 1 91 91 ILE HG22 H 1 1.034 0.000 . . . . . . . 849 I QG2 . 53778 1 1088 . 1 . 1 91 91 ILE HG23 H 1 1.034 0.000 . . . . . . . 849 I QG2 . 53778 1 1089 . 1 . 1 91 91 ILE HD11 H 1 1.052 0.000 . . . . . . . 849 I QD1 . 53778 1 1090 . 1 . 1 91 91 ILE HD12 H 1 1.052 0.000 . . . . . . . 849 I QD1 . 53778 1 1091 . 1 . 1 91 91 ILE HD13 H 1 1.052 0.000 . . . . . . . 849 I QD1 . 53778 1 1092 . 1 . 1 91 91 ILE C C 13 177.643 0.000 . . . . . . . 849 I C . 53778 1 1093 . 1 . 1 91 91 ILE CA C 13 64.849 0.000 . . . . . . . 849 I CA . 53778 1 1094 . 1 . 1 91 91 ILE CB C 13 38.001 0.000 . . . . . . . 849 I CB . 53778 1 1095 . 1 . 1 91 91 ILE CG1 C 13 29.539 0.000 . . . . . . . 849 I CG1 . 53778 1 1096 . 1 . 1 91 91 ILE CG2 C 13 17.844 0.000 . . . . . . . 849 I CG2 . 53778 1 1097 . 1 . 1 91 91 ILE CD1 C 13 13.359 0.000 . . . . . . . 849 I CD1 . 53778 1 1098 . 1 . 1 91 91 ILE N N 15 121.242 0.000 . . . . . . . 849 I N . 53778 1 1099 . 1 . 1 92 92 ALA H H 1 7.820 0.000 . . . . . . . 850 A H . 53778 1 1100 . 1 . 1 92 92 ALA HA H 1 4.097 0.000 . . . . . . . 850 A HA . 53778 1 1101 . 1 . 1 92 92 ALA HB1 H 1 1.414 0.000 . . . . . . . 850 A HB# . 53778 1 1102 . 1 . 1 92 92 ALA HB2 H 1 1.414 0.000 . . . . . . . 850 A HB# . 53778 1 1103 . 1 . 1 92 92 ALA HB3 H 1 1.414 0.000 . . . . . . . 850 A HB# . 53778 1 1104 . 1 . 1 92 92 ALA C C 13 179.940 0.000 . . . . . . . 850 A C . 53778 1 1105 . 1 . 1 92 92 ALA CA C 13 54.818 0.000 . . . . . . . 850 A CA . 53778 1 1106 . 1 . 1 92 92 ALA CB C 13 18.510 0.000 . . . . . . . 850 A CB . 53778 1 1107 . 1 . 1 92 92 ALA N N 15 121.711 0.000 . . . . . . . 850 A N . 53778 1 1108 . 1 . 1 93 93 SER H H 1 7.776 0.000 . . . . . . . 851 S H . 53778 1 1109 . 1 . 1 93 93 SER HA H 1 4.226 0.000 . . . . . . . 851 S HA . 53778 1 1110 . 1 . 1 93 93 SER HB2 H 1 3.780 0.000 . . . . . . . 851 S HB2 . 53778 1 1111 . 1 . 1 93 93 SER HB3 H 1 4.780 0.010 . . . . . . . 851 S HB3 . 53778 1 1112 . 1 . 1 93 93 SER C C 13 176.872 0.000 . . . . . . . 851 S C . 53778 1 1113 . 1 . 1 93 93 SER CA C 13 60.727 0.000 . . . . . . . 851 S CA . 53778 1 1114 . 1 . 1 93 93 SER CB C 13 62.721 0.000 . . . . . . . 851 S CB . 53778 1 1115 . 1 . 1 93 93 SER N N 15 114.191 0.000 . . . . . . . 851 S N . 53778 1 1116 . 1 . 1 94 94 PHE H H 1 7.849 0.000 . . . . . . . 852 F H . 53778 1 1117 . 1 . 1 94 94 PHE HA H 1 4.218 0.000 . . . . . . . 852 F HA . 53778 1 1118 . 1 . 1 94 94 PHE HB2 H 1 2.543 0.000 . . . . . . . 852 F HB2 . 53778 1 1119 . 1 . 1 94 94 PHE HB3 H 1 2.953 0.000 . . . . . . . 852 F HB3 . 53778 1 1120 . 1 . 1 94 94 PHE HD1 H 1 6.915 0.010 . . . . . . . 852 F HD1 . 53778 1 1121 . 1 . 1 94 94 PHE HD2 H 1 6.930 0.010 . . . . . . . 852 F HD2 . 53778 1 1122 . 1 . 1 94 94 PHE HE1 H 1 6.932 0.010 . . . . . . . 852 F HE1 . 53778 1 1123 . 1 . 1 94 94 PHE HE2 H 1 6.991 0.010 . . . . . . . 852 F HE2 . 53778 1 1124 . 1 . 1 94 94 PHE HZ H 1 6.329 0.010 . . . . . . . 852 F HZ . 53778 1 1125 . 1 . 1 94 94 PHE C C 13 176.709 0.000 . . . . . . . 852 F C . 53778 1 1126 . 1 . 1 94 94 PHE CA C 13 59.161 0.000 . . . . . . . 852 F CA . 53778 1 1127 . 1 . 1 94 94 PHE CB C 13 38.612 0.000 . . . . . . . 852 F CB . 53778 1 1128 . 1 . 1 94 94 PHE CD1 C 13 131.068 0.010 . . . . . . . 852 F CD1 . 53778 1 1129 . 1 . 1 94 94 PHE CE1 C 13 131.121 0.000 . . . . . . . 852 F CE1 . 53778 1 1130 . 1 . 1 94 94 PHE CZ C 13 131.530 0.010 . . . . . . . 852 F CZ . 53778 1 1131 . 1 . 1 94 94 PHE N N 15 122.320 0.000 . . . . . . . 852 F N . 53778 1 1132 . 1 . 1 95 95 LYS H H 1 7.956 0.000 . . . . . . . 853 K H . 53778 1 1133 . 1 . 1 95 95 LYS HA H 1 3.619 0.000 . . . . . . . 853 K HA . 53778 1 1134 . 1 . 1 95 95 LYS HB2 H 1 1.869 0.010 . . . . . . . 853 K HB2 . 53778 1 1135 . 1 . 1 95 95 LYS HB3 H 1 1.905 0.010 . . . . . . . 853 K HB3 . 53778 1 1136 . 1 . 1 95 95 LYS HG2 H 1 1.471 0.000 . . . . . . . 853 K HG2 . 53778 1 1137 . 1 . 1 95 95 LYS HG3 H 1 1.479 0.010 . . . . . . . 853 K HG3 . 53778 1 1138 . 1 . 1 95 95 LYS HD2 H 1 1.714 0.000 . . . . . . . 853 K HD2 . 53778 1 1139 . 1 . 1 95 95 LYS HD3 H 1 1.723 0.010 . . . . . . . 853 K HD3 . 53778 1 1140 . 1 . 1 95 95 LYS HE2 H 1 2.978 0.000 . . . . . . . 853 K HE2 . 53778 1 1141 . 1 . 1 95 95 LYS HE3 H 1 3.347 0.010 . . . . . . . 853 K HE3 . 53778 1 1142 . 1 . 1 95 95 LYS C C 13 178.897 0.000 . . . . . . . 853 K C . 53778 1 1143 . 1 . 1 95 95 LYS CA C 13 59.710 0.000 . . . . . . . 853 K CA . 53778 1 1144 . 1 . 1 95 95 LYS CB C 13 32.217 0.000 . . . . . . . 853 K CB . 53778 1 1145 . 1 . 1 95 95 LYS CG C 13 25.304 0.000 . . . . . . . 853 K CG . 53778 1 1146 . 1 . 1 95 95 LYS CD C 13 29.362 0.000 . . . . . . . 853 K CD . 53778 1 1147 . 1 . 1 95 95 LYS CE C 13 42.421 0.000 . . . . . . . 853 K CE . 53778 1 1148 . 1 . 1 95 95 LYS N N 15 119.530 0.000 . . . . . . . 853 K N . 53778 1 1149 . 1 . 1 96 96 VAL H H 1 7.296 0.000 . . . . . . . 854 V H . 53778 1 1150 . 1 . 1 96 96 VAL HA H 1 3.719 0.000 . . . . . . . 854 V HA . 53778 1 1151 . 1 . 1 96 96 VAL HB H 1 2.097 0.000 . . . . . . . 854 V HB . 53778 1 1152 . 1 . 1 96 96 VAL HG11 H 1 0.907 0.000 . . . . . . . 854 V QG1 . 53778 1 1153 . 1 . 1 96 96 VAL HG12 H 1 0.907 0.000 . . . . . . . 854 V QG1 . 53778 1 1154 . 1 . 1 96 96 VAL HG13 H 1 0.907 0.000 . . . . . . . 854 V QG1 . 53778 1 1155 . 1 . 1 96 96 VAL HG21 H 1 1.033 0.000 . . . . . . . 854 V QG2 . 53778 1 1156 . 1 . 1 96 96 VAL HG22 H 1 1.033 0.000 . . . . . . . 854 V QG2 . 53778 1 1157 . 1 . 1 96 96 VAL HG23 H 1 1.033 0.000 . . . . . . . 854 V QG2 . 53778 1 1158 . 1 . 1 96 96 VAL C C 13 179.307 0.000 . . . . . . . 854 V C . 53778 1 1159 . 1 . 1 96 96 VAL CA C 13 65.538 0.000 . . . . . . . 854 V CA . 53778 1 1160 . 1 . 1 96 96 VAL CB C 13 32.006 0.000 . . . . . . . 854 V CB . 53778 1 1161 . 1 . 1 96 96 VAL CG1 C 13 21.093 0.000 . . . . . . . 854 V CG1 . 53778 1 1162 . 1 . 1 96 96 VAL CG2 C 13 22.233 0.000 . . . . . . . 854 V CG2 . 53778 1 1163 . 1 . 1 96 96 VAL N N 15 117.826 0.000 . . . . . . . 854 V N . 53778 1 1164 . 1 . 1 97 97 LEU H H 1 7.545 0.000 . . . . . . . 855 L H . 53778 1 1165 . 1 . 1 97 97 LEU HA H 1 4.007 0.000 . . . . . . . 855 L HA . 53778 1 1166 . 1 . 1 97 97 LEU HB2 H 1 1.397 0.000 . . . . . . . 855 L HB2 . 53778 1 1167 . 1 . 1 97 97 LEU HB3 H 1 1.752 0.000 . . . . . . . 855 L HB3 . 53778 1 1168 . 1 . 1 97 97 LEU HG H 1 1.736 0.000 . . . . . . . 855 L HG . 53778 1 1169 . 1 . 1 97 97 LEU HD11 H 1 0.780 0.000 . . . . . . . 855 L QD1 . 53778 1 1170 . 1 . 1 97 97 LEU HD12 H 1 0.780 0.000 . . . . . . . 855 L QD1 . 53778 1 1171 . 1 . 1 97 97 LEU HD13 H 1 0.780 0.000 . . . . . . . 855 L QD1 . 53778 1 1172 . 1 . 1 97 97 LEU HD21 H 1 0.781 0.000 . . . . . . . 855 L QD2 . 53778 1 1173 . 1 . 1 97 97 LEU HD22 H 1 0.781 0.000 . . . . . . . 855 L QD2 . 53778 1 1174 . 1 . 1 97 97 LEU HD23 H 1 0.781 0.000 . . . . . . . 855 L QD2 . 53778 1 1175 . 1 . 1 97 97 LEU C C 13 177.934 0.000 . . . . . . . 855 L C . 53778 1 1176 . 1 . 1 97 97 LEU CA C 13 57.251 0.000 . . . . . . . 855 L CA . 53778 1 1177 . 1 . 1 97 97 LEU CB C 13 42.536 0.000 . . . . . . . 855 L CB . 53778 1 1178 . 1 . 1 97 97 LEU CG C 13 26.702 0.000 . . . . . . . 855 L CG . 53778 1 1179 . 1 . 1 97 97 LEU CD1 C 13 23.482 0.000 . . . . . . . 855 L CD1 . 53778 1 1180 . 1 . 1 97 97 LEU CD2 C 13 24.859 0.000 . . . . . . . 855 L CD2 . 53778 1 1181 . 1 . 1 97 97 LEU N N 15 121.033 0.000 . . . . . . . 855 L N . 53778 1 1182 . 1 . 1 98 98 ALA H H 1 8.097 0.000 . . . . . . . 856 A H . 53778 1 1183 . 1 . 1 98 98 ALA HA H 1 4.000 0.000 . . . . . . . 856 A HA . 53778 1 1184 . 1 . 1 98 98 ALA HB1 H 1 1.170 0.000 . . . . . . . 856 A HB# . 53778 1 1185 . 1 . 1 98 98 ALA HB2 H 1 1.170 0.000 . . . . . . . 856 A HB# . 53778 1 1186 . 1 . 1 98 98 ALA HB3 H 1 1.170 0.000 . . . . . . . 856 A HB# . 53778 1 1187 . 1 . 1 98 98 ALA C C 13 179.350 0.000 . . . . . . . 856 A C . 53778 1 1188 . 1 . 1 98 98 ALA CA C 13 53.059 0.000 . . . . . . . 856 A CA . 53778 1 1189 . 1 . 1 98 98 ALA CB C 13 19.260 0.000 . . . . . . . 856 A CB . 53778 1 1190 . 1 . 1 98 98 ALA N N 15 119.286 0.000 . . . . . . . 856 A N . 53778 1 1191 . 1 . 1 99 99 GLY H H 1 7.810 0.000 . . . . . . . 857 G H . 53778 1 1192 . 1 . 1 99 99 GLY HA2 H 1 3.808 0.000 . . . . . . . 857 G HA2 . 53778 1 1193 . 1 . 1 99 99 GLY HA3 H 1 3.811 0.010 . . . . . . . 857 G HA3 . 53778 1 1194 . 1 . 1 99 99 GLY C C 13 175.101 0.000 . . . . . . . 857 G C . 53778 1 1195 . 1 . 1 99 99 GLY CA C 13 47.315 0.000 . . . . . . . 857 G CA . 53778 1 1196 . 1 . 1 99 99 GLY N N 15 108.083 0.000 . . . . . . . 857 G N . 53778 1 1197 . 1 . 1 100 100 ASP H H 1 8.102 0.000 . . . . . . . 858 D H . 53778 1 1198 . 1 . 1 100 100 ASP HA H 1 4.445 0.000 . . . . . . . 858 D HA . 53778 1 1199 . 1 . 1 100 100 ASP HB2 H 1 2.084 0.010 . . . . . . . 858 D HB2 . 53778 1 1200 . 1 . 1 100 100 ASP HB3 H 1 2.764 0.000 . . . . . . . 858 D HB3 . 53778 1 1201 . 1 . 1 100 100 ASP C C 13 176.091 0.000 . . . . . . . 858 D C . 53778 1 1202 . 1 . 1 100 100 ASP CA C 13 54.905 0.000 . . . . . . . 858 D CA . 53778 1 1203 . 1 . 1 100 100 ASP CB C 13 40.983 0.000 . . . . . . . 858 D CB . 53778 1 1204 . 1 . 1 100 100 ASP N N 15 119.324 0.010 . . . . . . . 858 D N . 53778 1 1205 . 1 . 1 101 101 LYS H H 1 7.488 0.000 . . . . . . . 859 K H . 53778 1 1206 . 1 . 1 101 101 LYS HA H 1 4.254 0.000 . . . . . . . 859 K HA . 53778 1 1207 . 1 . 1 101 101 LYS HB2 H 1 1.117 0.000 . . . . . . . 859 K HB2 . 53778 1 1208 . 1 . 1 101 101 LYS HB3 H 1 1.888 0.000 . . . . . . . 859 K HB3 . 53778 1 1209 . 1 . 1 101 101 LYS HG2 H 1 1.327 0.000 . . . . . . . 859 K HG2 . 53778 1 1210 . 1 . 1 101 101 LYS HG3 H 1 1.473 0.000 . . . . . . . 859 K HG3 . 53778 1 1211 . 1 . 1 101 101 LYS HD2 H 1 1.265 0.000 . . . . . . . 859 K HD2 . 53778 1 1212 . 1 . 1 101 101 LYS HD3 H 1 1.628 0.000 . . . . . . . 859 K HD3 . 53778 1 1213 . 1 . 1 101 101 LYS HE2 H 1 2.782 0.010 . . . . . . . 859 K HE2 . 53778 1 1214 . 1 . 1 101 101 LYS HE3 H 1 2.937 0.000 . . . . . . . 859 K HE3 . 53778 1 1215 . 1 . 1 101 101 LYS C C 13 175.764 0.010 . . . . . . . 859 K C . 53778 1 1216 . 1 . 1 101 101 LYS CA C 13 56.219 0.000 . . . . . . . 859 K CA . 53778 1 1217 . 1 . 1 101 101 LYS CB C 13 33.749 0.000 . . . . . . . 859 K CB . 53778 1 1218 . 1 . 1 101 101 LYS CG C 13 23.903 0.000 . . . . . . . 859 K CG . 53778 1 1219 . 1 . 1 101 101 LYS CD C 13 28.931 0.000 . . . . . . . 859 K CD . 53778 1 1220 . 1 . 1 101 101 LYS CE C 13 40.771 0.000 . . . . . . . 859 K CE . 53778 1 1221 . 1 . 1 101 101 LYS N N 15 117.734 0.000 . . . . . . . 859 K N . 53778 1 1222 . 1 . 1 102 102 ASN H H 1 8.775 0.000 . . . . . . . 860 N H . 53778 1 1223 . 1 . 1 102 102 ASN HA H 1 4.603 0.000 . . . . . . . 860 N HA . 53778 1 1224 . 1 . 1 102 102 ASN HB2 H 1 2.657 0.000 . . . . . . . 860 N HB2 . 53778 1 1225 . 1 . 1 102 102 ASN HB3 H 1 2.986 0.000 . . . . . . . 860 N HB3 . 53778 1 1226 . 1 . 1 102 102 ASN HD21 H 1 7.089 0.010 . . . . . . . 860 N HD21 . 53778 1 1227 . 1 . 1 102 102 ASN HD22 H 1 8.066 0.000 . . . . . . . 860 N HD22 . 53778 1 1228 . 1 . 1 102 102 ASN C C 13 172.287 0.000 . . . . . . . 860 N C . 53778 1 1229 . 1 . 1 102 102 ASN CA C 13 53.884 0.000 . . . . . . . 860 N CA . 53778 1 1230 . 1 . 1 102 102 ASN CB C 13 39.692 0.000 . . . . . . . 860 N CB . 53778 1 1231 . 1 . 1 102 102 ASN N N 15 117.058 0.000 . . . . . . . 860 N N . 53778 1 1232 . 1 . 1 102 102 ASN ND2 N 15 114.475 0.000 . . . . . . . 860 N ND2 . 53778 1 1233 . 1 . 1 103 103 PHE H H 1 6.691 0.000 . . . . . . . 861 F H . 53778 1 1234 . 1 . 1 103 103 PHE HA H 1 4.984 0.000 . . . . . . . 861 F HA . 53778 1 1235 . 1 . 1 103 103 PHE HB2 H 1 1.764 0.000 . . . . . . . 861 F HB2 . 53778 1 1236 . 1 . 1 103 103 PHE HB3 H 1 2.920 0.000 . . . . . . . 861 F HB3 . 53778 1 1237 . 1 . 1 103 103 PHE HD1 H 1 6.333 0.000 . . . . . . . 861 F HD1 . 53778 1 1238 . 1 . 1 103 103 PHE HD2 H 1 7.214 0.010 . . . . . . . 861 F HD2 . 53778 1 1239 . 1 . 1 103 103 PHE HE1 H 1 6.334 0.000 . . . . . . . 861 F HE1 . 53778 1 1240 . 1 . 1 103 103 PHE HE2 H 1 6.343 0.010 . . . . . . . 861 F HE2 . 53778 1 1241 . 1 . 1 103 103 PHE HZ H 1 7.335 0.010 . . . . . . . 861 F HZ . 53778 1 1242 . 1 . 1 103 103 PHE C C 13 171.785 0.000 . . . . . . . 861 F C . 53778 1 1243 . 1 . 1 103 103 PHE CA C 13 54.992 0.000 . . . . . . . 861 F CA . 53778 1 1244 . 1 . 1 103 103 PHE CB C 13 40.917 0.000 . . . . . . . 861 F CB . 53778 1 1245 . 1 . 1 103 103 PHE CD1 C 13 132.248 0.000 . . . . . . . 861 F CD1 . 53778 1 1246 . 1 . 1 103 103 PHE CE1 C 13 132.255 0.000 . . . . . . . 861 F CE1 . 53778 1 1247 . 1 . 1 103 103 PHE CZ C 13 131.639 0.000 . . . . . . . 861 F CZ . 53778 1 1248 . 1 . 1 103 103 PHE N N 15 112.413 0.000 . . . . . . . 861 F N . 53778 1 1249 . 1 . 1 104 104 ILE H H 1 8.778 0.000 . . . . . . . 862 I H . 53778 1 1250 . 1 . 1 104 104 ILE HA H 1 4.914 0.000 . . . . . . . 862 I HA . 53778 1 1251 . 1 . 1 104 104 ILE HB H 1 1.583 0.000 . . . . . . . 862 I HB . 53778 1 1252 . 1 . 1 104 104 ILE HG12 H 1 1.275 0.000 . . . . . . . 862 I HG12 . 53778 1 1253 . 1 . 1 104 104 ILE HG13 H 1 1.684 0.000 . . . . . . . 862 I HG13 . 53778 1 1254 . 1 . 1 104 104 ILE HG21 H 1 0.769 0.000 . . . . . . . 862 I QG2 . 53778 1 1255 . 1 . 1 104 104 ILE HG22 H 1 0.769 0.000 . . . . . . . 862 I QG2 . 53778 1 1256 . 1 . 1 104 104 ILE HG23 H 1 0.769 0.000 . . . . . . . 862 I QG2 . 53778 1 1257 . 1 . 1 104 104 ILE HD11 H 1 0.643 0.000 . . . . . . . 862 I QD1 . 53778 1 1258 . 1 . 1 104 104 ILE HD12 H 1 0.643 0.000 . . . . . . . 862 I QD1 . 53778 1 1259 . 1 . 1 104 104 ILE HD13 H 1 0.643 0.000 . . . . . . . 862 I QD1 . 53778 1 1260 . 1 . 1 104 104 ILE C C 13 173.965 0.000 . . . . . . . 862 I C . 53778 1 1261 . 1 . 1 104 104 ILE CA C 13 59.059 0.000 . . . . . . . 862 I CA . 53778 1 1262 . 1 . 1 104 104 ILE CB C 13 43.385 0.000 . . . . . . . 862 I CB . 53778 1 1263 . 1 . 1 104 104 ILE CG1 C 13 28.955 0.000 . . . . . . . 862 I CG1 . 53778 1 1264 . 1 . 1 104 104 ILE CG2 C 13 17.460 0.000 . . . . . . . 862 I CG2 . 53778 1 1265 . 1 . 1 104 104 ILE CD1 C 13 14.815 0.000 . . . . . . . 862 I CD1 . 53778 1 1266 . 1 . 1 104 104 ILE N N 15 115.976 0.000 . . . . . . . 862 I N . 53778 1 1267 . 1 . 1 105 105 THR H H 1 8.848 0.000 . . . . . . . 863 T H . 53778 1 1268 . 1 . 1 105 105 THR HA H 1 5.266 0.000 . . . . . . . 863 T HA . 53778 1 1269 . 1 . 1 105 105 THR HB H 1 4.728 0.000 . . . . . . . 863 T HB . 53778 1 1270 . 1 . 1 105 105 THR HG21 H 1 1.262 0.000 . . . . . . . 863 T QG2 . 53778 1 1271 . 1 . 1 105 105 THR HG22 H 1 1.262 0.000 . . . . . . . 863 T QG2 . 53778 1 1272 . 1 . 1 105 105 THR HG23 H 1 1.262 0.000 . . . . . . . 863 T QG2 . 53778 1 1273 . 1 . 1 105 105 THR C C 13 175.591 0.000 . . . . . . . 863 T C . 53778 1 1274 . 1 . 1 105 105 THR CA C 13 60.218 0.000 . . . . . . . 863 T CA . 53778 1 1275 . 1 . 1 105 105 THR CB C 13 71.755 0.000 . . . . . . . 863 T CB . 53778 1 1276 . 1 . 1 105 105 THR CG2 C 13 22.126 0.000 . . . . . . . 863 T CG2 . 53778 1 1277 . 1 . 1 105 105 THR N N 15 115.966 0.000 . . . . . . . 863 T N . 53778 1 1278 . 1 . 1 106 106 ALA H H 1 8.899 0.000 . . . . . . . 864 A H . 53778 1 1279 . 1 . 1 106 106 ALA HA H 1 3.913 0.000 . . . . . . . 864 A HA . 53778 1 1280 . 1 . 1 106 106 ALA HB1 H 1 1.494 0.000 . . . . . . . 864 A HB# . 53778 1 1281 . 1 . 1 106 106 ALA HB2 H 1 1.494 0.000 . . . . . . . 864 A HB# . 53778 1 1282 . 1 . 1 106 106 ALA HB3 H 1 1.494 0.000 . . . . . . . 864 A HB# . 53778 1 1283 . 1 . 1 106 106 ALA C C 13 179.343 0.000 . . . . . . . 864 A C . 53778 1 1284 . 1 . 1 106 106 ALA CA C 13 55.608 0.000 . . . . . . . 864 A CA . 53778 1 1285 . 1 . 1 106 106 ALA CB C 13 18.039 0.000 . . . . . . . 864 A CB . 53778 1 1286 . 1 . 1 106 106 ALA N N 15 124.059 0.000 . . . . . . . 864 A N . 53778 1 1287 . 1 . 1 107 107 GLU H H 1 8.544 0.000 . . . . . . . 865 E H . 53778 1 1288 . 1 . 1 107 107 GLU HA H 1 3.929 0.000 . . . . . . . 865 E HA . 53778 1 1289 . 1 . 1 107 107 GLU HB2 H 1 1.940 0.000 . . . . . . . 865 E HB2 . 53778 1 1290 . 1 . 1 107 107 GLU HB3 H 1 1.949 0.000 . . . . . . . 865 E HB3 . 53778 1 1291 . 1 . 1 107 107 GLU HG2 H 1 2.320 0.010 . . . . . . . 865 E HG2 . 53778 1 1292 . 1 . 1 107 107 GLU HG3 H 1 2.320 0.000 . . . . . . . 865 E HG3 . 53778 1 1293 . 1 . 1 107 107 GLU C C 13 179.383 0.000 . . . . . . . 865 E C . 53778 1 1294 . 1 . 1 107 107 GLU CA C 13 59.923 0.000 . . . . . . . 865 E CA . 53778 1 1295 . 1 . 1 107 107 GLU CB C 13 29.516 0.000 . . . . . . . 865 E CB . 53778 1 1296 . 1 . 1 107 107 GLU CG C 13 36.658 0.000 . . . . . . . 865 E CG . 53778 1 1297 . 1 . 1 107 107 GLU N N 15 115.877 0.000 . . . . . . . 865 E N . 53778 1 1298 . 1 . 1 108 108 GLU H H 1 7.747 0.000 . . . . . . . 866 E H . 53778 1 1299 . 1 . 1 108 108 GLU HA H 1 3.909 0.000 . . . . . . . 866 E HA . 53778 1 1300 . 1 . 1 108 108 GLU HB2 H 1 1.890 0.000 . . . . . . . 866 E HB2 . 53778 1 1301 . 1 . 1 108 108 GLU HB3 H 1 2.365 0.000 . . . . . . . 866 E HB3 . 53778 1 1302 . 1 . 1 108 108 GLU HG2 H 1 2.309 0.000 . . . . . . . 866 E HG2 . 53778 1 1303 . 1 . 1 108 108 GLU HG3 H 1 2.313 0.010 . . . . . . . 866 E HG3 . 53778 1 1304 . 1 . 1 108 108 GLU C C 13 178.989 0.000 . . . . . . . 866 E C . 53778 1 1305 . 1 . 1 108 108 GLU CA C 13 59.782 0.000 . . . . . . . 866 E CA . 53778 1 1306 . 1 . 1 108 108 GLU CB C 13 29.824 0.000 . . . . . . . 866 E CB . 53778 1 1307 . 1 . 1 108 108 GLU CG C 13 37.550 0.000 . . . . . . . 866 E CG . 53778 1 1308 . 1 . 1 108 108 GLU N N 15 119.886 0.000 . . . . . . . 866 E N . 53778 1 1309 . 1 . 1 109 109 LEU H H 1 7.770 0.000 . . . . . . . 867 L H . 53778 1 1310 . 1 . 1 109 109 LEU HA H 1 3.890 0.000 . . . . . . . 867 L HA . 53778 1 1311 . 1 . 1 109 109 LEU HB2 H 1 1.194 0.000 . . . . . . . 867 L HB2 . 53778 1 1312 . 1 . 1 109 109 LEU HB3 H 1 2.025 0.000 . . . . . . . 867 L HB3 . 53778 1 1313 . 1 . 1 109 109 LEU HG H 1 1.635 0.000 . . . . . . . 867 L HG . 53778 1 1314 . 1 . 1 109 109 LEU HD11 H 1 0.729 0.000 . . . . . . . 867 L QD1 . 53778 1 1315 . 1 . 1 109 109 LEU HD12 H 1 0.729 0.000 . . . . . . . 867 L QD1 . 53778 1 1316 . 1 . 1 109 109 LEU HD13 H 1 0.729 0.000 . . . . . . . 867 L QD1 . 53778 1 1317 . 1 . 1 109 109 LEU HD21 H 1 0.663 0.000 . . . . . . . 867 L QD2 . 53778 1 1318 . 1 . 1 109 109 LEU HD22 H 1 0.663 0.000 . . . . . . . 867 L QD2 . 53778 1 1319 . 1 . 1 109 109 LEU HD23 H 1 0.663 0.000 . . . . . . . 867 L QD2 . 53778 1 1320 . 1 . 1 109 109 LEU C C 13 178.233 0.000 . . . . . . . 867 L C . 53778 1 1321 . 1 . 1 109 109 LEU CA C 13 58.856 0.000 . . . . . . . 867 L CA . 53778 1 1322 . 1 . 1 109 109 LEU CB C 13 42.392 0.000 . . . . . . . 867 L CB . 53778 1 1323 . 1 . 1 109 109 LEU CG C 13 27.061 0.000 . . . . . . . 867 L CG . 53778 1 1324 . 1 . 1 109 109 LEU CD1 C 13 24.940 0.000 . . . . . . . 867 L CD1 . 53778 1 1325 . 1 . 1 109 109 LEU CD2 C 13 27.504 0.000 . . . . . . . 867 L CD2 . 53778 1 1326 . 1 . 1 109 109 LEU N N 15 118.831 0.000 . . . . . . . 867 L N . 53778 1 1327 . 1 . 1 110 110 ARG H H 1 8.249 0.000 . . . . . . . 868 R H . 53778 1 1328 . 1 . 1 110 110 ARG HA H 1 3.935 0.000 . . . . . . . 868 R HA . 53778 1 1329 . 1 . 1 110 110 ARG HB2 H 1 1.441 0.010 . . . . . . . 868 R HB2 . 53778 1 1330 . 1 . 1 110 110 ARG HB3 H 1 1.788 0.010 . . . . . . . 868 R HB3 . 53778 1 1331 . 1 . 1 110 110 ARG HG2 H 1 1.700 0.010 . . . . . . . 868 R HG2 . 53778 1 1332 . 1 . 1 110 110 ARG HG3 H 1 1.768 0.010 . . . . . . . 868 R HG3 . 53778 1 1333 . 1 . 1 110 110 ARG HD2 H 1 3.078 0.000 . . . . . . . 868 R HD2 . 53778 1 1334 . 1 . 1 110 110 ARG HD3 H 1 3.083 0.010 . . . . . . . 868 R HD3 . 53778 1 1335 . 1 . 1 110 110 ARG HE H 1 8.173 0.000 . . . . . . . 868 R HE . 53778 1 1336 . 1 . 1 110 110 ARG C C 13 178.135 0.000 . . . . . . . 868 R C . 53778 1 1337 . 1 . 1 110 110 ARG CA C 13 58.834 0.000 . . . . . . . 868 R CA . 53778 1 1338 . 1 . 1 110 110 ARG CB C 13 29.975 0.000 . . . . . . . 868 R CB . 53778 1 1339 . 1 . 1 110 110 ARG CG C 13 27.283 0.000 . . . . . . . 868 R CG . 53778 1 1340 . 1 . 1 110 110 ARG CD C 13 43.311 0.000 . . . . . . . 868 R CD . 53778 1 1341 . 1 . 1 110 110 ARG N N 15 114.662 0.000 . . . . . . . 868 R N . 53778 1 1342 . 1 . 1 111 111 ARG H H 1 7.704 0.000 . . . . . . . 869 R H . 53778 1 1343 . 1 . 1 111 111 ARG HA H 1 4.218 0.000 . . . . . . . 869 R HA . 53778 1 1344 . 1 . 1 111 111 ARG HB2 H 1 1.981 0.000 . . . . . . . 869 R HB2 . 53778 1 1345 . 1 . 1 111 111 ARG HB3 H 1 1.984 0.000 . . . . . . . 869 R HB3 . 53778 1 1346 . 1 . 1 111 111 ARG HG2 H 1 0.831 0.000 . . . . . . . 869 R HG2 . 53778 1 1347 . 1 . 1 111 111 ARG HG3 H 1 1.745 0.000 . . . . . . . 869 R HG3 . 53778 1 1348 . 1 . 1 111 111 ARG HD2 H 1 3.249 0.000 . . . . . . . 869 R HD2 . 53778 1 1349 . 1 . 1 111 111 ARG HD3 H 1 3.251 0.000 . . . . . . . 869 R HD3 . 53778 1 1350 . 1 . 1 111 111 ARG HE H 1 7.346 0.000 . . . . . . . 869 R HE . 53778 1 1351 . 1 . 1 111 111 ARG C C 13 178.133 0.010 . . . . . . . 869 R C . 53778 1 1352 . 1 . 1 111 111 ARG CA C 13 58.425 0.000 . . . . . . . 869 R CA . 53778 1 1353 . 1 . 1 111 111 ARG CB C 13 31.033 0.000 . . . . . . . 869 R CB . 53778 1 1354 . 1 . 1 111 111 ARG CG C 13 27.168 0.000 . . . . . . . 869 R CG . 53778 1 1355 . 1 . 1 111 111 ARG CD C 13 43.605 0.000 . . . . . . . 869 R CD . 53778 1 1356 . 1 . 1 111 111 ARG N N 15 117.956 0.000 . . . . . . . 869 R N . 53778 1 1357 . 1 . 1 112 112 GLU H H 1 7.531 0.000 . . . . . . . 870 E H . 53778 1 1358 . 1 . 1 112 112 GLU HA H 1 4.431 0.000 . . . . . . . 870 E HA . 53778 1 1359 . 1 . 1 112 112 GLU HB2 H 1 1.763 0.000 . . . . . . . 870 E HB2 . 53778 1 1360 . 1 . 1 112 112 GLU HB3 H 1 2.201 0.000 . . . . . . . 870 E HB3 . 53778 1 1361 . 1 . 1 112 112 GLU HG2 H 1 2.453 0.010 . . . . . . . 870 E HG2 . 53778 1 1362 . 1 . 1 112 112 GLU HG3 H 1 2.458 0.000 . . . . . . . 870 E HG3 . 53778 1 1363 . 1 . 1 112 112 GLU C C 13 176.629 0.000 . . . . . . . 870 E C . 53778 1 1364 . 1 . 1 112 112 GLU CA C 13 56.819 0.000 . . . . . . . 870 E CA . 53778 1 1365 . 1 . 1 112 112 GLU CB C 13 32.076 0.000 . . . . . . . 870 E CB . 53778 1 1366 . 1 . 1 112 112 GLU CG C 13 35.352 0.000 . . . . . . . 870 E CG . 53778 1 1367 . 1 . 1 112 112 GLU N N 15 115.322 0.000 . . . . . . . 870 E N . 53778 1 1368 . 1 . 1 113 113 LEU H H 1 7.948 0.000 . . . . . . . 871 L H . 53778 1 1369 . 1 . 1 113 113 LEU HA H 1 4.933 0.000 . . . . . . . 871 L HA . 53778 1 1370 . 1 . 1 113 113 LEU HB2 H 1 1.379 0.000 . . . . . . . 871 L HB2 . 53778 1 1371 . 1 . 1 113 113 LEU HB3 H 1 1.753 0.000 . . . . . . . 871 L HB3 . 53778 1 1372 . 1 . 1 113 113 LEU HG H 1 0.885 0.000 . . . . . . . 871 L HG . 53778 1 1373 . 1 . 1 113 113 LEU HD11 H 1 0.902 0.000 . . . . . . . 871 L QD1 . 53778 1 1374 . 1 . 1 113 113 LEU HD12 H 1 0.902 0.000 . . . . . . . 871 L QD1 . 53778 1 1375 . 1 . 1 113 113 LEU HD13 H 1 0.902 0.000 . . . . . . . 871 L QD1 . 53778 1 1376 . 1 . 1 113 113 LEU HD21 H 1 0.895 0.000 . . . . . . . 871 L QD2 . 53778 1 1377 . 1 . 1 113 113 LEU HD22 H 1 0.895 0.000 . . . . . . . 871 L QD2 . 53778 1 1378 . 1 . 1 113 113 LEU HD23 H 1 0.895 0.000 . . . . . . . 871 L QD2 . 53778 1 1379 . 1 . 1 113 113 LEU C C 13 174.163 0.000 . . . . . . . 871 L C . 53778 1 1380 . 1 . 1 113 113 LEU CA C 13 52.425 0.000 . . . . . . . 871 L CA . 53778 1 1381 . 1 . 1 113 113 LEU CB C 13 42.591 0.000 . . . . . . . 871 L CB . 53778 1 1382 . 1 . 1 113 113 LEU CG C 13 26.841 0.000 . . . . . . . 871 L CG . 53778 1 1383 . 1 . 1 113 113 LEU CD1 C 13 22.911 0.000 . . . . . . . 871 L CD1 . 53778 1 1384 . 1 . 1 113 113 LEU CD2 C 13 23.317 0.010 . . . . . . . 871 L CD2 . 53778 1 1385 . 1 . 1 113 113 LEU N N 15 119.317 0.000 . . . . . . . 871 L N . 53778 1 1386 . 1 . 1 114 114 PRO HA H 1 4.738 0.000 . . . . . . . 872 P HA . 53778 1 1387 . 1 . 1 114 114 PRO HB2 H 1 1.992 0.000 . . . . . . . 872 P HB2 . 53778 1 1388 . 1 . 1 114 114 PRO HB3 H 1 2.546 0.000 . . . . . . . 872 P HB3 . 53778 1 1389 . 1 . 1 114 114 PRO HG2 H 1 2.102 0.010 . . . . . . . 872 P HG2 . 53778 1 1390 . 1 . 1 114 114 PRO HG3 H 1 2.116 0.000 . . . . . . . 872 P HG3 . 53778 1 1391 . 1 . 1 114 114 PRO HD2 H 1 3.546 0.000 . . . . . . . 872 P HD2 . 53778 1 1392 . 1 . 1 114 114 PRO HD3 H 1 3.904 0.000 . . . . . . . 872 P HD3 . 53778 1 1393 . 1 . 1 114 114 PRO CA C 13 61.504 0.000 . . . . . . . 872 P CA . 53778 1 1394 . 1 . 1 114 114 PRO CB C 13 31.035 0.000 . . . . . . . 872 P CB . 53778 1 1395 . 1 . 1 114 114 PRO CG C 13 28.290 0.000 . . . . . . . 872 P CG . 53778 1 1396 . 1 . 1 114 114 PRO CD C 13 50.239 0.000 . . . . . . . 872 P CD . 53778 1 1397 . 1 . 1 115 115 PRO HA H 1 4.290 0.000 . . . . . . . 873 P HA . 53778 1 1398 . 1 . 1 115 115 PRO HB2 H 1 2.073 0.010 . . . . . . . 873 P HB2 . 53778 1 1399 . 1 . 1 115 115 PRO HB3 H 1 2.484 0.000 . . . . . . . 873 P HB3 . 53778 1 1400 . 1 . 1 115 115 PRO HG2 H 1 2.176 0.010 . . . . . . . 873 P HG2 . 53778 1 1401 . 1 . 1 115 115 PRO HG3 H 1 2.196 0.010 . . . . . . . 873 P HG3 . 53778 1 1402 . 1 . 1 115 115 PRO HD2 H 1 3.860 0.010 . . . . . . . 873 P HD2 . 53778 1 1403 . 1 . 1 115 115 PRO HD3 H 1 3.894 0.000 . . . . . . . 873 P HD3 . 53778 1 1404 . 1 . 1 115 115 PRO C C 13 178.299 0.000 . . . . . . . 873 P C . 53778 1 1405 . 1 . 1 115 115 PRO CA C 13 66.607 0.000 . . . . . . . 873 P CA . 53778 1 1406 . 1 . 1 115 115 PRO CB C 13 32.168 0.000 . . . . . . . 873 P CB . 53778 1 1407 . 1 . 1 115 115 PRO CG C 13 27.782 0.000 . . . . . . . 873 P CG . 53778 1 1408 . 1 . 1 115 115 PRO CD C 13 50.266 0.000 . . . . . . . 873 P CD . 53778 1 1409 . 1 . 1 116 116 ASP H H 1 8.812 0.000 . . . . . . . 874 D H . 53778 1 1410 . 1 . 1 116 116 ASP HA H 1 4.384 0.000 . . . . . . . 874 D HA . 53778 1 1411 . 1 . 1 116 116 ASP HB2 H 1 2.658 0.010 . . . . . . . 874 D HB2 . 53778 1 1412 . 1 . 1 116 116 ASP HB3 H 1 2.765 0.000 . . . . . . . 874 D HB3 . 53778 1 1413 . 1 . 1 116 116 ASP C C 13 179.213 0.000 . . . . . . . 874 D C . 53778 1 1414 . 1 . 1 116 116 ASP CA C 13 56.950 0.000 . . . . . . . 874 D CA . 53778 1 1415 . 1 . 1 116 116 ASP CB C 13 39.231 0.000 . . . . . . . 874 D CB . 53778 1 1416 . 1 . 1 116 116 ASP N N 15 114.876 0.000 . . . . . . . 874 D N . 53778 1 1417 . 1 . 1 117 117 GLN H H 1 7.474 0.000 . . . . . . . 875 Q H . 53778 1 1418 . 1 . 1 117 117 GLN HA H 1 4.781 0.010 . . . . . . . 875 Q HA . 53778 1 1419 . 1 . 1 117 117 GLN HB2 H 1 2.104 0.010 . . . . . . . 875 Q HB2 . 53778 1 1420 . 1 . 1 117 117 GLN HB3 H 1 2.165 0.010 . . . . . . . 875 Q HB3 . 53778 1 1421 . 1 . 1 117 117 GLN HG2 H 1 1.704 0.010 . . . . . . . 875 Q HG2 . 53778 1 1422 . 1 . 1 117 117 GLN HG3 H 1 2.442 0.010 . . . . . . . 875 Q HG3 . 53778 1 1423 . 1 . 1 117 117 GLN HE21 H 1 6.666 0.000 . . . . . . . 875 Q HE21 . 53778 1 1424 . 1 . 1 117 117 GLN HE22 H 1 7.484 0.000 . . . . . . . 875 Q HE22 . 53778 1 1425 . 1 . 1 117 117 GLN C C 13 178.360 0.000 . . . . . . . 875 Q C . 53778 1 1426 . 1 . 1 117 117 GLN CA C 13 58.373 0.010 . . . . . . . 875 Q CA . 53778 1 1427 . 1 . 1 117 117 GLN CB C 13 29.118 0.000 . . . . . . . 875 Q CB . 53778 1 1428 . 1 . 1 117 117 GLN CG C 13 33.992 0.000 . . . . . . . 875 Q CG . 53778 1 1429 . 1 . 1 117 117 GLN N N 15 121.221 0.000 . . . . . . . 875 Q N . 53778 1 1430 . 1 . 1 117 117 GLN NE2 N 15 110.201 0.000 . . . . . . . 875 Q NE2 . 53778 1 1431 . 1 . 1 118 118 ALA H H 1 8.879 0.000 . . . . . . . 876 A H . 53778 1 1432 . 1 . 1 118 118 ALA HA H 1 3.811 0.000 . . . . . . . 876 A HA . 53778 1 1433 . 1 . 1 118 118 ALA HB1 H 1 1.336 0.000 . . . . . . . 876 A HB# . 53778 1 1434 . 1 . 1 118 118 ALA HB2 H 1 1.336 0.000 . . . . . . . 876 A HB# . 53778 1 1435 . 1 . 1 118 118 ALA HB3 H 1 1.336 0.000 . . . . . . . 876 A HB# . 53778 1 1436 . 1 . 1 118 118 ALA C C 13 179.257 0.000 . . . . . . . 876 A C . 53778 1 1437 . 1 . 1 118 118 ALA CA C 13 56.456 0.000 . . . . . . . 876 A CA . 53778 1 1438 . 1 . 1 118 118 ALA CB C 13 18.052 0.000 . . . . . . . 876 A CB . 53778 1 1439 . 1 . 1 118 118 ALA N N 15 122.544 0.000 . . . . . . . 876 A N . 53778 1 1440 . 1 . 1 119 119 GLU H H 1 8.223 0.000 . . . . . . . 877 E H . 53778 1 1441 . 1 . 1 119 119 GLU HA H 1 4.057 0.000 . . . . . . . 877 E HA . 53778 1 1442 . 1 . 1 119 119 GLU HB2 H 1 1.785 0.010 . . . . . . . 877 E HB2 . 53778 1 1443 . 1 . 1 119 119 GLU HB3 H 1 2.165 0.000 . . . . . . . 877 E HB3 . 53778 1 1444 . 1 . 1 119 119 GLU HG2 H 1 2.445 0.010 . . . . . . . 877 E HG2 . 53778 1 1445 . 1 . 1 119 119 GLU HG3 H 1 2.600 0.000 . . . . . . . 877 E HG3 . 53778 1 1446 . 1 . 1 119 119 GLU C C 13 179.351 0.000 . . . . . . . 877 E C . 53778 1 1447 . 1 . 1 119 119 GLU CA C 13 58.984 0.000 . . . . . . . 877 E CA . 53778 1 1448 . 1 . 1 119 119 GLU CB C 13 28.751 0.000 . . . . . . . 877 E CB . 53778 1 1449 . 1 . 1 119 119 GLU CG C 13 35.580 0.000 . . . . . . . 877 E CG . 53778 1 1450 . 1 . 1 119 119 GLU N N 15 114.031 0.000 . . . . . . . 877 E N . 53778 1 1451 . 1 . 1 120 120 TYR H H 1 7.684 0.000 . . . . . . . 878 Y H . 53778 1 1452 . 1 . 1 120 120 TYR HA H 1 4.124 0.000 . . . . . . . 878 Y HA . 53778 1 1453 . 1 . 1 120 120 TYR HB2 H 1 3.328 0.000 . . . . . . . 878 Y HB2 . 53778 1 1454 . 1 . 1 120 120 TYR HB3 H 1 3.408 0.000 . . . . . . . 878 Y HB3 . 53778 1 1455 . 1 . 1 120 120 TYR HD1 H 1 7.266 0.000 . . . . . . . 878 Y HD1 . 53778 1 1456 . 1 . 1 120 120 TYR HD2 H 1 7.277 0.000 . . . . . . . 878 Y HD2 . 53778 1 1457 . 1 . 1 120 120 TYR HE1 H 1 6.780 0.010 . . . . . . . 878 Y HE1 . 53778 1 1458 . 1 . 1 120 120 TYR HE2 H 1 6.868 0.000 . . . . . . . 878 Y HE2 . 53778 1 1459 . 1 . 1 120 120 TYR C C 13 177.755 0.000 . . . . . . . 878 Y C . 53778 1 1460 . 1 . 1 120 120 TYR CA C 13 61.038 0.000 . . . . . . . 878 Y CA . 53778 1 1461 . 1 . 1 120 120 TYR CB C 13 38.731 0.000 . . . . . . . 878 Y CB . 53778 1 1462 . 1 . 1 120 120 TYR CD1 C 13 134.056 0.000 . . . . . . . 878 Y CD1 . 53778 1 1463 . 1 . 1 120 120 TYR CE1 C 13 117.641 0.000 . . . . . . . 878 Y CE1 . 53778 1 1464 . 1 . 1 120 120 TYR N N 15 120.442 0.000 . . . . . . . 878 Y N . 53778 1 1465 . 1 . 1 121 121 CYS H H 1 8.060 0.000 . . . . . . . 879 C H . 53778 1 1466 . 1 . 1 121 121 CYS HA H 1 4.133 0.000 . . . . . . . 879 C HA . 53778 1 1467 . 1 . 1 121 121 CYS HB2 H 1 2.563 0.000 . . . . . . . 879 C HB2 . 53778 1 1468 . 1 . 1 121 121 CYS HB3 H 1 3.097 0.000 . . . . . . . 879 C HB3 . 53778 1 1469 . 1 . 1 121 121 CYS HG H 1 3.080 0.010 . . . . . . . 879 C HG . 53778 1 1470 . 1 . 1 121 121 CYS C C 13 176.835 0.000 . . . . . . . 879 C C . 53778 1 1471 . 1 . 1 121 121 CYS CA C 13 64.314 0.000 . . . . . . . 879 C CA . 53778 1 1472 . 1 . 1 121 121 CYS CB C 13 27.529 0.000 . . . . . . . 879 C CB . 53778 1 1473 . 1 . 1 121 121 CYS N N 15 115.785 0.000 . . . . . . . 879 C N . 53778 1 1474 . 1 . 1 122 122 ILE H H 1 8.484 0.000 . . . . . . . 880 I H . 53778 1 1475 . 1 . 1 122 122 ILE HA H 1 3.350 0.000 . . . . . . . 880 I HA . 53778 1 1476 . 1 . 1 122 122 ILE HB H 1 1.698 0.000 . . . . . . . 880 I HB . 53778 1 1477 . 1 . 1 122 122 ILE HG12 H 1 0.715 0.000 . . . . . . . 880 I HG12 . 53778 1 1478 . 1 . 1 122 122 ILE HG13 H 1 0.717 0.000 . . . . . . . 880 I HG13 . 53778 1 1479 . 1 . 1 122 122 ILE HG21 H 1 0.887 0.000 . . . . . . . 880 I QG2 . 53778 1 1480 . 1 . 1 122 122 ILE HG22 H 1 0.887 0.000 . . . . . . . 880 I QG2 . 53778 1 1481 . 1 . 1 122 122 ILE HG23 H 1 0.887 0.000 . . . . . . . 880 I QG2 . 53778 1 1482 . 1 . 1 122 122 ILE HD11 H 1 0.832 0.000 . . . . . . . 880 I QD1 . 53778 1 1483 . 1 . 1 122 122 ILE HD12 H 1 0.832 0.000 . . . . . . . 880 I QD1 . 53778 1 1484 . 1 . 1 122 122 ILE HD13 H 1 0.832 0.000 . . . . . . . 880 I QD1 . 53778 1 1485 . 1 . 1 122 122 ILE C C 13 177.369 0.010 . . . . . . . 880 I C . 53778 1 1486 . 1 . 1 122 122 ILE CA C 13 65.748 0.000 . . . . . . . 880 I CA . 53778 1 1487 . 1 . 1 122 122 ILE CB C 13 39.031 0.000 . . . . . . . 880 I CB . 53778 1 1488 . 1 . 1 122 122 ILE CG1 C 13 31.561 0.000 . . . . . . . 880 I CG1 . 53778 1 1489 . 1 . 1 122 122 ILE CG2 C 13 16.960 0.000 . . . . . . . 880 I CG2 . 53778 1 1490 . 1 . 1 122 122 ILE CD1 C 13 14.471 0.000 . . . . . . . 880 I CD1 . 53778 1 1491 . 1 . 1 122 122 ILE N N 15 120.124 0.000 . . . . . . . 880 I N . 53778 1 1492 . 1 . 1 123 123 ALA H H 1 7.335 0.000 . . . . . . . 881 A H . 53778 1 1493 . 1 . 1 123 123 ALA HA H 1 4.218 0.000 . . . . . . . 881 A HA . 53778 1 1494 . 1 . 1 123 123 ALA HB1 H 1 1.428 0.000 . . . . . . . 881 A HB# . 53778 1 1495 . 1 . 1 123 123 ALA HB2 H 1 1.428 0.000 . . . . . . . 881 A HB# . 53778 1 1496 . 1 . 1 123 123 ALA HB3 H 1 1.428 0.000 . . . . . . . 881 A HB# . 53778 1 1497 . 1 . 1 123 123 ALA C C 13 178.533 0.000 . . . . . . . 881 A C . 53778 1 1498 . 1 . 1 123 123 ALA CA C 13 53.365 0.000 . . . . . . . 881 A CA . 53778 1 1499 . 1 . 1 123 123 ALA CB C 13 19.123 0.000 . . . . . . . 881 A CB . 53778 1 1500 . 1 . 1 123 123 ALA N N 15 116.839 0.000 . . . . . . . 881 A N . 53778 1 1501 . 1 . 1 124 124 ARG H H 1 7.320 0.000 . . . . . . . 882 R H . 53778 1 1502 . 1 . 1 124 124 ARG HA H 1 4.291 0.000 . . . . . . . 882 R HA . 53778 1 1503 . 1 . 1 124 124 ARG HB2 H 1 1.330 0.000 . . . . . . . 882 R HB2 . 53778 1 1504 . 1 . 1 124 124 ARG HB3 H 1 2.323 0.010 . . . . . . . 882 R HB3 . 53778 1 1505 . 1 . 1 124 124 ARG HG2 H 1 1.307 0.000 . . . . . . . 882 R HG2 . 53778 1 1506 . 1 . 1 124 124 ARG HG3 H 1 1.377 0.000 . . . . . . . 882 R HG3 . 53778 1 1507 . 1 . 1 124 124 ARG HD2 H 1 2.236 0.000 . . . . . . . 882 R HD2 . 53778 1 1508 . 1 . 1 124 124 ARG HD3 H 1 2.783 0.000 . . . . . . . 882 R HD3 . 53778 1 1509 . 1 . 1 124 124 ARG HE H 1 6.881 0.000 . . . . . . . 882 R HE . 53778 1 1510 . 1 . 1 124 124 ARG C C 13 174.882 0.000 . . . . . . . 882 R C . 53778 1 1511 . 1 . 1 124 124 ARG CA C 13 56.094 0.000 . . . . . . . 882 R CA . 53778 1 1512 . 1 . 1 124 124 ARG CB C 13 31.556 0.000 . . . . . . . 882 R CB . 53778 1 1513 . 1 . 1 124 124 ARG CG C 13 28.185 0.000 . . . . . . . 882 R CG . 53778 1 1514 . 1 . 1 124 124 ARG CD C 13 42.070 0.000 . . . . . . . 882 R CD . 53778 1 1515 . 1 . 1 124 124 ARG N N 15 116.732 0.000 . . . . . . . 882 R N . 53778 1 1516 . 1 . 1 125 125 MET H H 1 7.241 0.000 . . . . . . . 883 M H . 53778 1 1517 . 1 . 1 125 125 MET HA H 1 4.549 0.000 . . . . . . . 883 M HA . 53778 1 1518 . 1 . 1 125 125 MET HB2 H 1 1.711 0.000 . . . . . . . 883 M HB2 . 53778 1 1519 . 1 . 1 125 125 MET HB3 H 1 1.709 0.000 . . . . . . . 883 M HB3 . 53778 1 1520 . 1 . 1 125 125 MET HG2 H 1 2.264 0.000 . . . . . . . 883 M HG2 . 53778 1 1521 . 1 . 1 125 125 MET HG3 H 1 2.717 0.000 . . . . . . . 883 M HG3 . 53778 1 1522 . 1 . 1 125 125 MET HE1 H 1 1.265 0.000 . . . . . . . 883 M HE# . 53778 1 1523 . 1 . 1 125 125 MET HE2 H 1 1.265 0.000 . . . . . . . 883 M HE# . 53778 1 1524 . 1 . 1 125 125 MET HE3 H 1 1.265 0.000 . . . . . . . 883 M HE# . 53778 1 1525 . 1 . 1 125 125 MET C C 13 173.719 0.000 . . . . . . . 883 M C . 53778 1 1526 . 1 . 1 125 125 MET CA C 13 55.559 0.000 . . . . . . . 883 M CA . 53778 1 1527 . 1 . 1 125 125 MET CB C 13 36.680 0.000 . . . . . . . 883 M CB . 53778 1 1528 . 1 . 1 125 125 MET CG C 13 34.456 0.000 . . . . . . . 883 M CG . 53778 1 1529 . 1 . 1 125 125 MET CE C 13 18.628 0.000 . . . . . . . 883 M CE . 53778 1 1530 . 1 . 1 125 125 MET N N 15 118.178 0.000 . . . . . . . 883 M N . 53778 1 1531 . 1 . 1 126 126 ALA H H 1 8.639 0.000 . . . . . . . 884 A H . 53778 1 1532 . 1 . 1 126 126 ALA HA H 1 4.017 0.010 . . . . . . . 884 A HA . 53778 1 1533 . 1 . 1 126 126 ALA HB1 H 1 1.324 0.000 . . . . . . . 884 A HB# . 53778 1 1534 . 1 . 1 126 126 ALA HB2 H 1 1.324 0.000 . . . . . . . 884 A HB# . 53778 1 1535 . 1 . 1 126 126 ALA HB3 H 1 1.324 0.000 . . . . . . . 884 A HB# . 53778 1 1536 . 1 . 1 126 126 ALA C C 13 174.593 0.000 . . . . . . . 884 A C . 53778 1 1537 . 1 . 1 126 126 ALA CA C 13 49.567 0.000 . . . . . . . 884 A CA . 53778 1 1538 . 1 . 1 126 126 ALA CB C 13 18.617 0.000 . . . . . . . 884 A CB . 53778 1 1539 . 1 . 1 126 126 ALA N N 15 125.371 0.000 . . . . . . . 884 A N . 53778 1 1540 . 1 . 1 127 127 PRO HA H 1 4.554 0.000 . . . . . . . 885 P HA . 53778 1 1541 . 1 . 1 127 127 PRO HB2 H 1 1.728 0.000 . . . . . . . 885 P HB2 . 53778 1 1542 . 1 . 1 127 127 PRO HB3 H 1 2.383 0.000 . . . . . . . 885 P HB3 . 53778 1 1543 . 1 . 1 127 127 PRO HG2 H 1 1.990 0.000 . . . . . . . 885 P HG2 . 53778 1 1544 . 1 . 1 127 127 PRO HG3 H 1 2.071 0.000 . . . . . . . 885 P HG3 . 53778 1 1545 . 1 . 1 127 127 PRO HD2 H 1 3.520 0.010 . . . . . . . 885 P HD2 . 53778 1 1546 . 1 . 1 127 127 PRO HD3 H 1 3.608 0.010 . . . . . . . 885 P HD3 . 53778 1 1547 . 1 . 1 127 127 PRO C C 13 174.023 0.010 . . . . . . . 885 P C . 53778 1 1548 . 1 . 1 127 127 PRO CA C 13 62.751 0.000 . . . . . . . 885 P CA . 53778 1 1549 . 1 . 1 127 127 PRO CB C 13 32.073 0.000 . . . . . . . 885 P CB . 53778 1 1550 . 1 . 1 127 127 PRO CG C 13 27.681 0.000 . . . . . . . 885 P CG . 53778 1 1551 . 1 . 1 127 127 PRO CD C 13 50.269 0.000 . . . . . . . 885 P CD . 53778 1 1552 . 1 . 1 128 128 TYR H H 1 8.166 0.000 . . . . . . . 886 Y H . 53778 1 1553 . 1 . 1 128 128 TYR HA H 1 4.508 0.000 . . . . . . . 886 Y HA . 53778 1 1554 . 1 . 1 128 128 TYR HB2 H 1 2.280 0.000 . . . . . . . 886 Y HB2 . 53778 1 1555 . 1 . 1 128 128 TYR HB3 H 1 2.477 0.000 . . . . . . . 886 Y HB3 . 53778 1 1556 . 1 . 1 128 128 TYR HD1 H 1 6.646 0.000 . . . . . . . 886 Y HD1 . 53778 1 1557 . 1 . 1 128 128 TYR HD2 H 1 6.649 0.000 . . . . . . . 886 Y HD2 . 53778 1 1558 . 1 . 1 128 128 TYR HE1 H 1 6.692 0.000 . . . . . . . 886 Y HE1 . 53778 1 1559 . 1 . 1 128 128 TYR HE2 H 1 6.696 0.000 . . . . . . . 886 Y HE2 . 53778 1 1560 . 1 . 1 128 128 TYR C C 13 174.518 0.000 . . . . . . . 886 Y C . 53778 1 1561 . 1 . 1 128 128 TYR CA C 13 57.814 0.000 . . . . . . . 886 Y CA . 53778 1 1562 . 1 . 1 128 128 TYR CB C 13 39.206 0.000 . . . . . . . 886 Y CB . 53778 1 1563 . 1 . 1 128 128 TYR CD1 C 13 133.304 0.010 . . . . . . . 886 Y CD1 . 53778 1 1564 . 1 . 1 128 128 TYR CE1 C 13 118.813 0.000 . . . . . . . 886 Y CE1 . 53778 1 1565 . 1 . 1 128 128 TYR N N 15 123.433 0.000 . . . . . . . 886 Y N . 53778 1 1566 . 1 . 1 129 129 GLN H H 1 8.188 0.000 . . . . . . . 887 Q H . 53778 1 1567 . 1 . 1 129 129 GLN HA H 1 4.347 0.000 . . . . . . . 887 Q HA . 53778 1 1568 . 1 . 1 129 129 GLN HB2 H 1 1.604 0.000 . . . . . . . 887 Q HB2 . 53778 1 1569 . 1 . 1 129 129 GLN HB3 H 1 2.070 0.010 . . . . . . . 887 Q HB3 . 53778 1 1570 . 1 . 1 129 129 GLN HG2 H 1 2.074 0.000 . . . . . . . 887 Q HG2 . 53778 1 1571 . 1 . 1 129 129 GLN HG3 H 1 2.075 0.000 . . . . . . . 887 Q HG3 . 53778 1 1572 . 1 . 1 129 129 GLN HE21 H 1 6.798 0.000 . . . . . . . 887 Q HE21 . 53778 1 1573 . 1 . 1 129 129 GLN HE22 H 1 7.456 0.010 . . . . . . . 887 Q HE22 . 53778 1 1574 . 1 . 1 129 129 GLN C C 13 174.535 0.000 . . . . . . . 887 Q C . 53778 1 1575 . 1 . 1 129 129 GLN CA C 13 54.209 0.000 . . . . . . . 887 Q CA . 53778 1 1576 . 1 . 1 129 129 GLN CB C 13 30.256 0.000 . . . . . . . 887 Q CB . 53778 1 1577 . 1 . 1 129 129 GLN CG C 13 33.728 0.000 . . . . . . . 887 Q CG . 53778 1 1578 . 1 . 1 129 129 GLN N N 15 125.962 0.000 . . . . . . . 887 Q N . 53778 1 1579 . 1 . 1 129 129 GLN NE2 N 15 111.943 0.000 . . . . . . . 887 Q NE2 . 53778 1 1580 . 1 . 1 130 130 GLY H H 1 6.101 0.000 . . . . . . . 888 G H . 53778 1 1581 . 1 . 1 130 130 GLY HA2 H 1 3.726 0.000 . . . . . . . 888 G HA2 . 53778 1 1582 . 1 . 1 130 130 GLY HA3 H 1 4.067 0.000 . . . . . . . 888 G HA3 . 53778 1 1583 . 1 . 1 130 130 GLY C C 13 172.712 0.000 . . . . . . . 888 G C . 53778 1 1584 . 1 . 1 130 130 GLY CA C 13 45.053 0.000 . . . . . . . 888 G CA . 53778 1 1585 . 1 . 1 130 130 GLY N N 15 105.958 0.000 . . . . . . . 888 G N . 53778 1 1586 . 1 . 1 131 131 PRO HA H 1 4.392 0.000 . . . . . . . 889 P HA . 53778 1 1587 . 1 . 1 131 131 PRO HB2 H 1 2.062 0.000 . . . . . . . 889 P HB2 . 53778 1 1588 . 1 . 1 131 131 PRO HB3 H 1 2.355 0.000 . . . . . . . 889 P HB3 . 53778 1 1589 . 1 . 1 131 131 PRO HG2 H 1 2.081 0.010 . . . . . . . 889 P HG2 . 53778 1 1590 . 1 . 1 131 131 PRO HG3 H 1 2.097 0.000 . . . . . . . 889 P HG3 . 53778 1 1591 . 1 . 1 131 131 PRO HD2 H 1 3.678 0.000 . . . . . . . 889 P HD2 . 53778 1 1592 . 1 . 1 131 131 PRO HD3 H 1 3.682 0.000 . . . . . . . 889 P HD3 . 53778 1 1593 . 1 . 1 131 131 PRO C C 13 176.567 0.000 . . . . . . . 889 P C . 53778 1 1594 . 1 . 1 131 131 PRO CA C 13 64.909 0.000 . . . . . . . 889 P CA . 53778 1 1595 . 1 . 1 131 131 PRO CB C 13 31.568 0.000 . . . . . . . 889 P CB . 53778 1 1596 . 1 . 1 131 131 PRO CG C 13 27.469 0.000 . . . . . . . 889 P CG . 53778 1 1597 . 1 . 1 131 131 PRO CD C 13 49.672 0.000 . . . . . . . 889 P CD . 53778 1 1598 . 1 . 1 132 132 ASP H H 1 9.510 0.000 . . . . . . . 890 D H . 53778 1 1599 . 1 . 1 132 132 ASP HA H 1 4.615 0.000 . . . . . . . 890 D HA . 53778 1 1600 . 1 . 1 132 132 ASP HB2 H 1 2.775 0.000 . . . . . . . 890 D HB2 . 53778 1 1601 . 1 . 1 132 132 ASP HB3 H 1 3.130 0.000 . . . . . . . 890 D HB3 . 53778 1 1602 . 1 . 1 132 132 ASP C C 13 174.849 0.000 . . . . . . . 890 D C . 53778 1 1603 . 1 . 1 132 132 ASP CA C 13 52.515 0.000 . . . . . . . 890 D CA . 53778 1 1604 . 1 . 1 132 132 ASP CB C 13 39.092 0.000 . . . . . . . 890 D CB . 53778 1 1605 . 1 . 1 132 132 ASP N N 15 115.323 0.000 . . . . . . . 890 D N . 53778 1 1606 . 1 . 1 133 133 ALA H H 1 7.416 0.000 . . . . . . . 891 A H . 53778 1 1607 . 1 . 1 133 133 ALA HA H 1 3.362 0.000 . . . . . . . 891 A HA . 53778 1 1608 . 1 . 1 133 133 ALA HB1 H 1 1.312 0.000 . . . . . . . 891 A HB# . 53778 1 1609 . 1 . 1 133 133 ALA HB2 H 1 1.312 0.000 . . . . . . . 891 A HB# . 53778 1 1610 . 1 . 1 133 133 ALA HB3 H 1 1.312 0.000 . . . . . . . 891 A HB# . 53778 1 1611 . 1 . 1 133 133 ALA C C 13 176.225 0.000 . . . . . . . 891 A C . 53778 1 1612 . 1 . 1 133 133 ALA CA C 13 53.804 0.000 . . . . . . . 891 A CA . 53778 1 1613 . 1 . 1 133 133 ALA CB C 13 19.849 0.000 . . . . . . . 891 A CB . 53778 1 1614 . 1 . 1 133 133 ALA N N 15 120.373 0.000 . . . . . . . 891 A N . 53778 1 1615 . 1 . 1 134 134 VAL H H 1 5.739 0.000 . . . . . . . 892 V H . 53778 1 1616 . 1 . 1 134 134 VAL HA H 1 4.709 0.000 . . . . . . . 892 V HA . 53778 1 1617 . 1 . 1 134 134 VAL HB H 1 2.302 0.000 . . . . . . . 892 V HB . 53778 1 1618 . 1 . 1 134 134 VAL HG11 H 1 0.652 0.000 . . . . . . . 892 V QG1 . 53778 1 1619 . 1 . 1 134 134 VAL HG12 H 1 0.652 0.000 . . . . . . . 892 V QG1 . 53778 1 1620 . 1 . 1 134 134 VAL HG13 H 1 0.652 0.000 . . . . . . . 892 V QG1 . 53778 1 1621 . 1 . 1 134 134 VAL HG21 H 1 1.014 0.000 . . . . . . . 892 V QG2 . 53778 1 1622 . 1 . 1 134 134 VAL HG22 H 1 1.014 0.000 . . . . . . . 892 V QG2 . 53778 1 1623 . 1 . 1 134 134 VAL HG23 H 1 1.014 0.000 . . . . . . . 892 V QG2 . 53778 1 1624 . 1 . 1 134 134 VAL C C 13 173.576 0.000 . . . . . . . 892 V C . 53778 1 1625 . 1 . 1 134 134 VAL CA C 13 57.842 0.000 . . . . . . . 892 V CA . 53778 1 1626 . 1 . 1 134 134 VAL CB C 13 32.087 0.000 . . . . . . . 892 V CB . 53778 1 1627 . 1 . 1 134 134 VAL CG1 C 13 18.173 0.000 . . . . . . . 892 V CG1 . 53778 1 1628 . 1 . 1 134 134 VAL CG2 C 13 21.604 0.000 . . . . . . . 892 V CG2 . 53778 1 1629 . 1 . 1 134 134 VAL N N 15 111.384 0.000 . . . . . . . 892 V N . 53778 1 1630 . 1 . 1 135 135 PRO HA H 1 4.320 0.000 . . . . . . . 893 P HA . 53778 1 1631 . 1 . 1 135 135 PRO HB2 H 1 1.328 0.010 . . . . . . . 893 P HB2 . 53778 1 1632 . 1 . 1 135 135 PRO HB3 H 1 2.334 0.010 . . . . . . . 893 P HB3 . 53778 1 1633 . 1 . 1 135 135 PRO HG2 H 1 1.966 0.010 . . . . . . . 893 P HG2 . 53778 1 1634 . 1 . 1 135 135 PRO HG3 H 1 2.130 0.010 . . . . . . . 893 P HG3 . 53778 1 1635 . 1 . 1 135 135 PRO HD2 H 1 3.609 0.010 . . . . . . . 893 P HD2 . 53778 1 1636 . 1 . 1 135 135 PRO HD3 H 1 3.832 0.000 . . . . . . . 893 P HD3 . 53778 1 1637 . 1 . 1 135 135 PRO C C 13 177.751 0.000 . . . . . . . 893 P C . 53778 1 1638 . 1 . 1 135 135 PRO CA C 13 64.509 0.000 . . . . . . . 893 P CA . 53778 1 1639 . 1 . 1 135 135 PRO CB C 13 31.652 0.000 . . . . . . . 893 P CB . 53778 1 1640 . 1 . 1 135 135 PRO CG C 13 27.996 0.000 . . . . . . . 893 P CG . 53778 1 1641 . 1 . 1 135 135 PRO CD C 13 50.365 0.000 . . . . . . . 893 P CD . 53778 1 1642 . 1 . 1 136 136 GLY H H 1 8.837 0.000 . . . . . . . 894 G H . 53778 1 1643 . 1 . 1 136 136 GLY HA2 H 1 3.750 0.000 . . . . . . . 894 G HA2 . 53778 1 1644 . 1 . 1 136 136 GLY HA3 H 1 4.368 0.000 . . . . . . . 894 G HA3 . 53778 1 1645 . 1 . 1 136 136 GLY C C 13 174.768 0.000 . . . . . . . 894 G C . 53778 1 1646 . 1 . 1 136 136 GLY CA C 13 45.134 0.000 . . . . . . . 894 G CA . 53778 1 1647 . 1 . 1 136 136 GLY N N 15 112.076 0.000 . . . . . . . 894 G N . 53778 1 1648 . 1 . 1 137 137 ALA H H 1 7.784 0.000 . . . . . . . 895 A H . 53778 1 1649 . 1 . 1 137 137 ALA HA H 1 4.016 0.000 . . . . . . . 895 A HA . 53778 1 1650 . 1 . 1 137 137 ALA HB1 H 1 1.025 0.000 . . . . . . . 895 A HB# . 53778 1 1651 . 1 . 1 137 137 ALA HB2 H 1 1.025 0.000 . . . . . . . 895 A HB# . 53778 1 1652 . 1 . 1 137 137 ALA HB3 H 1 1.025 0.000 . . . . . . . 895 A HB# . 53778 1 1653 . 1 . 1 137 137 ALA C C 13 177.170 0.000 . . . . . . . 895 A C . 53778 1 1654 . 1 . 1 137 137 ALA CA C 13 53.307 0.000 . . . . . . . 895 A CA . 53778 1 1655 . 1 . 1 137 137 ALA CB C 13 20.353 0.000 . . . . . . . 895 A CB . 53778 1 1656 . 1 . 1 137 137 ALA N N 15 120.746 0.000 . . . . . . . 895 A N . 53778 1 1657 . 1 . 1 138 138 LEU H H 1 9.635 0.000 . . . . . . . 896 L H . 53778 1 1658 . 1 . 1 138 138 LEU HA H 1 4.815 0.000 . . . . . . . 896 L HA . 53778 1 1659 . 1 . 1 138 138 LEU HB2 H 1 1.157 0.000 . . . . . . . 896 L HB2 . 53778 1 1660 . 1 . 1 138 138 LEU HB3 H 1 1.894 0.000 . . . . . . . 896 L HB3 . 53778 1 1661 . 1 . 1 138 138 LEU HG H 1 1.920 0.010 . . . . . . . 896 L HG . 53778 1 1662 . 1 . 1 138 138 LEU HD11 H 1 0.705 0.000 . . . . . . . 896 L QD1 . 53778 1 1663 . 1 . 1 138 138 LEU HD12 H 1 0.705 0.000 . . . . . . . 896 L QD1 . 53778 1 1664 . 1 . 1 138 138 LEU HD13 H 1 0.705 0.000 . . . . . . . 896 L QD1 . 53778 1 1665 . 1 . 1 138 138 LEU HD21 H 1 0.784 0.010 . . . . . . . 896 L QD2 . 53778 1 1666 . 1 . 1 138 138 LEU HD22 H 1 0.784 0.010 . . . . . . . 896 L QD2 . 53778 1 1667 . 1 . 1 138 138 LEU HD23 H 1 0.784 0.010 . . . . . . . 896 L QD2 . 53778 1 1668 . 1 . 1 138 138 LEU C C 13 176.006 0.000 . . . . . . . 896 L C . 53778 1 1669 . 1 . 1 138 138 LEU CA C 13 54.444 0.000 . . . . . . . 896 L CA . 53778 1 1670 . 1 . 1 138 138 LEU CB C 13 44.576 0.000 . . . . . . . 896 L CB . 53778 1 1671 . 1 . 1 138 138 LEU CG C 13 26.780 0.000 . . . . . . . 896 L CG . 53778 1 1672 . 1 . 1 138 138 LEU CD1 C 13 22.748 0.000 . . . . . . . 896 L CD1 . 53778 1 1673 . 1 . 1 138 138 LEU CD2 C 13 26.796 0.000 . . . . . . . 896 L CD2 . 53778 1 1674 . 1 . 1 138 138 LEU N N 15 126.376 0.000 . . . . . . . 896 L N . 53778 1 1675 . 1 . 1 139 139 ASP H H 1 9.125 0.000 . . . . . . . 897 D H . 53778 1 1676 . 1 . 1 139 139 ASP HA H 1 4.958 0.000 . . . . . . . 897 D HA . 53778 1 1677 . 1 . 1 139 139 ASP HB2 H 1 2.373 0.000 . . . . . . . 897 D HB2 . 53778 1 1678 . 1 . 1 139 139 ASP HB3 H 1 3.025 0.000 . . . . . . . 897 D HB3 . 53778 1 1679 . 1 . 1 139 139 ASP C C 13 177.211 0.000 . . . . . . . 897 D C . 53778 1 1680 . 1 . 1 139 139 ASP CA C 13 52.172 0.000 . . . . . . . 897 D CA . 53778 1 1681 . 1 . 1 139 139 ASP CB C 13 40.892 0.000 . . . . . . . 897 D CB . 53778 1 1682 . 1 . 1 139 139 ASP N N 15 120.138 0.000 . . . . . . . 897 D N . 53778 1 1683 . 1 . 1 140 140 TYR H H 1 7.597 0.000 . . . . . . . 898 Y H . 53778 1 1684 . 1 . 1 140 140 TYR HA H 1 4.572 0.000 . . . . . . . 898 Y HA . 53778 1 1685 . 1 . 1 140 140 TYR HB2 H 1 2.408 0.000 . . . . . . . 898 Y HB2 . 53778 1 1686 . 1 . 1 140 140 TYR HB3 H 1 3.012 0.000 . . . . . . . 898 Y HB3 . 53778 1 1687 . 1 . 1 140 140 TYR HD1 H 1 6.829 0.000 . . . . . . . 898 Y HD1 . 53778 1 1688 . 1 . 1 140 140 TYR HD2 H 1 6.832 0.000 . . . . . . . 898 Y HD2 . 53778 1 1689 . 1 . 1 140 140 TYR HE1 H 1 6.526 0.000 . . . . . . . 898 Y HE1 . 53778 1 1690 . 1 . 1 140 140 TYR HE2 H 1 6.798 0.010 . . . . . . . 898 Y HE2 . 53778 1 1691 . 1 . 1 140 140 TYR C C 13 176.726 0.000 . . . . . . . 898 Y C . 53778 1 1692 . 1 . 1 140 140 TYR CA C 13 59.194 0.000 . . . . . . . 898 Y CA . 53778 1 1693 . 1 . 1 140 140 TYR CB C 13 37.472 0.000 . . . . . . . 898 Y CB . 53778 1 1694 . 1 . 1 140 140 TYR CD1 C 13 132.883 0.000 . . . . . . . 898 Y CD1 . 53778 1 1695 . 1 . 1 140 140 TYR CE1 C 13 118.248 0.000 . . . . . . . 898 Y CE1 . 53778 1 1696 . 1 . 1 140 140 TYR N N 15 126.267 0.000 . . . . . . . 898 Y N . 53778 1 1697 . 1 . 1 141 141 LYS H H 1 7.703 0.000 . . . . . . . 899 K H . 53778 1 1698 . 1 . 1 141 141 LYS HA H 1 4.140 0.000 . . . . . . . 899 K HA . 53778 1 1699 . 1 . 1 141 141 LYS HB2 H 1 1.904 0.010 . . . . . . . 899 K HB2 . 53778 1 1700 . 1 . 1 141 141 LYS HB3 H 1 1.903 0.000 . . . . . . . 899 K HB3 . 53778 1 1701 . 1 . 1 141 141 LYS HG2 H 1 1.096 0.010 . . . . . . . 899 K HG2 . 53778 1 1702 . 1 . 1 141 141 LYS HG3 H 1 1.236 0.000 . . . . . . . 899 K HG3 . 53778 1 1703 . 1 . 1 141 141 LYS HD2 H 1 0.629 0.010 . . . . . . . 899 K HD2 . 53778 1 1704 . 1 . 1 141 141 LYS HD3 H 1 1.673 0.000 . . . . . . . 899 K HD3 . 53778 1 1705 . 1 . 1 141 141 LYS HE2 H 1 2.132 0.010 . . . . . . . 899 K HE2 . 53778 1 1706 . 1 . 1 141 141 LYS HE3 H 1 2.981 0.000 . . . . . . . 899 K HE3 . 53778 1 1707 . 1 . 1 141 141 LYS C C 13 177.708 0.000 . . . . . . . 899 K C . 53778 1 1708 . 1 . 1 141 141 LYS CA C 13 58.986 0.000 . . . . . . . 899 K CA . 53778 1 1709 . 1 . 1 141 141 LYS CB C 13 31.545 0.000 . . . . . . . 899 K CB . 53778 1 1710 . 1 . 1 141 141 LYS CG C 13 26.157 0.000 . . . . . . . 899 K CG . 53778 1 1711 . 1 . 1 141 141 LYS CD C 13 29.294 0.000 . . . . . . . 899 K CD . 53778 1 1712 . 1 . 1 141 141 LYS CE C 13 42.374 0.000 . . . . . . . 899 K CE . 53778 1 1713 . 1 . 1 141 141 LYS N N 15 122.017 0.000 . . . . . . . 899 K N . 53778 1 1714 . 1 . 1 142 142 SER H H 1 7.705 0.000 . . . . . . . 900 S H . 53778 1 1715 . 1 . 1 142 142 SER HA H 1 4.485 0.000 . . . . . . . 900 S HA . 53778 1 1716 . 1 . 1 142 142 SER HB2 H 1 3.868 0.000 . . . . . . . 900 S HB2 . 53778 1 1717 . 1 . 1 142 142 SER HB3 H 1 4.142 0.000 . . . . . . . 900 S HB3 . 53778 1 1718 . 1 . 1 142 142 SER C C 13 174.379 0.000 . . . . . . . 900 S C . 53778 1 1719 . 1 . 1 142 142 SER CA C 13 59.084 0.000 . . . . . . . 900 S CA . 53778 1 1720 . 1 . 1 142 142 SER CB C 13 64.333 0.000 . . . . . . . 900 S CB . 53778 1 1721 . 1 . 1 142 142 SER N N 15 113.353 0.000 . . . . . . . 900 S N . 53778 1 1722 . 1 . 1 143 143 PHE H H 1 7.313 0.000 . . . . . . . 901 F H . 53778 1 1723 . 1 . 1 143 143 PHE HA H 1 4.661 0.000 . . . . . . . 901 F HA . 53778 1 1724 . 1 . 1 143 143 PHE HB2 H 1 3.188 0.010 . . . . . . . 901 F HB2 . 53778 1 1725 . 1 . 1 143 143 PHE HB3 H 1 3.269 0.000 . . . . . . . 901 F HB3 . 53778 1 1726 . 1 . 1 143 143 PHE HD1 H 1 1.787 0.010 . . . . . . . 901 F HD1 . 53778 1 1727 . 1 . 1 143 143 PHE HD2 H 1 7.236 0.010 . . . . . . . 901 F HD2 . 53778 1 1728 . 1 . 1 143 143 PHE HE1 H 1 6.519 0.010 . . . . . . . 901 F HE1 . 53778 1 1729 . 1 . 1 143 143 PHE HE2 H 1 7.497 0.010 . . . . . . . 901 F HE2 . 53778 1 1730 . 1 . 1 143 143 PHE HZ H 1 6.815 0.010 . . . . . . . 901 F HZ . 53778 1 1731 . 1 . 1 143 143 PHE C C 13 175.109 0.000 . . . . . . . 901 F C . 53778 1 1732 . 1 . 1 143 143 PHE CA C 13 59.554 0.000 . . . . . . . 901 F CA . 53778 1 1733 . 1 . 1 143 143 PHE CB C 13 40.302 0.000 . . . . . . . 901 F CB . 53778 1 1734 . 1 . 1 143 143 PHE CD1 C 13 133.439 0.000 . . . . . . . 901 F CD1 . 53778 1 1735 . 1 . 1 143 143 PHE CE1 C 13 133.217 0.000 . . . . . . . 901 F CE1 . 53778 1 1736 . 1 . 1 143 143 PHE CZ C 13 132.002 0.010 . . . . . . . 901 F CZ . 53778 1 1737 . 1 . 1 143 143 PHE N N 15 122.780 0.000 . . . . . . . 901 F N . 53778 1 1738 . 1 . 1 144 144 SER H H 1 7.533 0.000 . . . . . . . 902 S H . 53778 1 1739 . 1 . 1 144 144 SER HA H 1 4.314 0.000 . . . . . . . 902 S HA . 53778 1 1740 . 1 . 1 144 144 SER HB2 H 1 4.010 0.010 . . . . . . . 902 S HB2 . 53778 1 1741 . 1 . 1 144 144 SER HB3 H 1 4.013 0.010 . . . . . . . 902 S HB3 . 53778 1 1742 . 1 . 1 144 144 SER C C 13 173.434 0.000 . . . . . . . 902 S C . 53778 1 1743 . 1 . 1 144 144 SER CA C 13 57.949 0.000 . . . . . . . 902 S CA . 53778 1 1744 . 1 . 1 144 144 SER CB C 13 64.578 0.000 . . . . . . . 902 S CB . 53778 1 1745 . 1 . 1 144 144 SER N N 15 119.286 0.000 . . . . . . . 902 S N . 53778 1 1746 . 1 . 1 145 145 THR H H 1 8.030 0.000 . . . . . . . 903 T H . 53778 1 1747 . 1 . 1 145 145 THR HA H 1 4.023 0.000 . . . . . . . 903 T HA . 53778 1 1748 . 1 . 1 145 145 THR HB H 1 4.328 0.000 . . . . . . . 903 T HB . 53778 1 1749 . 1 . 1 145 145 THR HG21 H 1 1.308 0.000 . . . . . . . 903 T QG2 . 53778 1 1750 . 1 . 1 145 145 THR HG22 H 1 1.308 0.000 . . . . . . . 903 T QG2 . 53778 1 1751 . 1 . 1 145 145 THR HG23 H 1 1.308 0.000 . . . . . . . 903 T QG2 . 53778 1 1752 . 1 . 1 145 145 THR C C 13 175.460 0.000 . . . . . . . 903 T C . 53778 1 1753 . 1 . 1 145 145 THR CA C 13 63.735 0.000 . . . . . . . 903 T CA . 53778 1 1754 . 1 . 1 145 145 THR CB C 13 69.129 0.000 . . . . . . . 903 T CB . 53778 1 1755 . 1 . 1 145 145 THR CG2 C 13 22.142 0.000 . . . . . . . 903 T CG2 . 53778 1 1756 . 1 . 1 145 145 THR N N 15 111.703 0.000 . . . . . . . 903 T N . 53778 1 1757 . 1 . 1 146 146 ALA H H 1 7.907 0.000 . . . . . . . 904 A H . 53778 1 1758 . 1 . 1 146 146 ALA HA H 1 4.257 0.000 . . . . . . . 904 A HA . 53778 1 1759 . 1 . 1 146 146 ALA HB1 H 1 1.296 0.000 . . . . . . . 904 A HB# . 53778 1 1760 . 1 . 1 146 146 ALA HB2 H 1 1.296 0.000 . . . . . . . 904 A HB# . 53778 1 1761 . 1 . 1 146 146 ALA HB3 H 1 1.296 0.000 . . . . . . . 904 A HB# . 53778 1 1762 . 1 . 1 146 146 ALA C C 13 177.646 0.000 . . . . . . . 904 A C . 53778 1 1763 . 1 . 1 146 146 ALA CA C 13 52.612 0.000 . . . . . . . 904 A CA . 53778 1 1764 . 1 . 1 146 146 ALA CB C 13 19.157 0.000 . . . . . . . 904 A CB . 53778 1 1765 . 1 . 1 146 146 ALA N N 15 125.384 0.000 . . . . . . . 904 A N . 53778 1 1766 . 1 . 1 147 147 LEU H H 1 8.030 0.000 . . . . . . . 905 L H . 53778 1 1767 . 1 . 1 147 147 LEU HA H 1 4.053 0.000 . . . . . . . 905 L HA . 53778 1 1768 . 1 . 1 147 147 LEU HB2 H 1 1.293 0.000 . . . . . . . 905 L HB2 . 53778 1 1769 . 1 . 1 147 147 LEU HB3 H 1 1.364 0.000 . . . . . . . 905 L HB3 . 53778 1 1770 . 1 . 1 147 147 LEU HG H 1 1.445 0.000 . . . . . . . 905 L HG . 53778 1 1771 . 1 . 1 147 147 LEU HD11 H 1 0.778 0.000 . . . . . . . 905 L QD1 . 53778 1 1772 . 1 . 1 147 147 LEU HD12 H 1 0.778 0.000 . . . . . . . 905 L QD1 . 53778 1 1773 . 1 . 1 147 147 LEU HD13 H 1 0.778 0.000 . . . . . . . 905 L QD1 . 53778 1 1774 . 1 . 1 147 147 LEU HD21 H 1 0.830 0.000 . . . . . . . 905 L QD2 . 53778 1 1775 . 1 . 1 147 147 LEU HD22 H 1 0.830 0.000 . . . . . . . 905 L QD2 . 53778 1 1776 . 1 . 1 147 147 LEU HD23 H 1 0.830 0.000 . . . . . . . 905 L QD2 . 53778 1 1777 . 1 . 1 147 147 LEU C C 13 177.635 0.000 . . . . . . . 905 L C . 53778 1 1778 . 1 . 1 147 147 LEU CA C 13 55.647 0.000 . . . . . . . 905 L CA . 53778 1 1779 . 1 . 1 147 147 LEU CB C 13 42.522 0.000 . . . . . . . 905 L CB . 53778 1 1780 . 1 . 1 147 147 LEU CG C 13 27.210 0.000 . . . . . . . 905 L CG . 53778 1 1781 . 1 . 1 147 147 LEU CD1 C 13 24.685 0.010 . . . . . . . 905 L CD1 . 53778 1 1782 . 1 . 1 147 147 LEU CD2 C 13 25.029 0.000 . . . . . . . 905 L CD2 . 53778 1 1783 . 1 . 1 147 147 LEU N N 15 120.314 0.000 . . . . . . . 905 L N . 53778 1 1784 . 1 . 1 148 148 TYR H H 1 8.169 0.000 . . . . . . . 906 Y H . 53778 1 1785 . 1 . 1 148 148 TYR HA H 1 4.452 0.000 . . . . . . . 906 Y HA . 53778 1 1786 . 1 . 1 148 148 TYR HB2 H 1 2.791 0.010 . . . . . . . 906 Y HB2 . 53778 1 1787 . 1 . 1 148 148 TYR HB3 H 1 2.850 0.010 . . . . . . . 906 Y HB3 . 53778 1 1788 . 1 . 1 148 148 TYR HD1 H 1 7.089 0.000 . . . . . . . 906 Y HD1 . 53778 1 1789 . 1 . 1 148 148 TYR HD2 H 1 7.091 0.000 . . . . . . . 906 Y HD2 . 53778 1 1790 . 1 . 1 148 148 TYR HE1 H 1 6.813 0.010 . . . . . . . 906 Y HE1 . 53778 1 1791 . 1 . 1 148 148 TYR HE2 H 1 6.864 0.010 . . . . . . . 906 Y HE2 . 53778 1 1792 . 1 . 1 148 148 TYR C C 13 176.600 0.000 . . . . . . . 906 Y C . 53778 1 1793 . 1 . 1 148 148 TYR CA C 13 58.807 0.000 . . . . . . . 906 Y CA . 53778 1 1794 . 1 . 1 148 148 TYR CB C 13 38.678 0.000 . . . . . . . 906 Y CB . 53778 1 1795 . 1 . 1 148 148 TYR CD1 C 13 133.477 0.000 . . . . . . . 906 Y CD1 . 53778 1 1796 . 1 . 1 148 148 TYR CE1 C 13 118.261 0.000 . . . . . . . 906 Y CE1 . 53778 1 1797 . 1 . 1 148 148 TYR N N 15 120.551 0.000 . . . . . . . 906 Y N . 53778 1 1798 . 1 . 1 149 149 GLY H H 1 8.096 0.000 . . . . . . . 907 G H . 53778 1 1799 . 1 . 1 149 149 GLY HA2 H 1 3.830 0.000 . . . . . . . 907 G HA2 . 53778 1 1800 . 1 . 1 149 149 GLY HA3 H 1 4.257 0.010 . . . . . . . 907 G HA3 . 53778 1 1801 . 1 . 1 149 149 GLY C C 13 173.895 0.000 . . . . . . . 907 G C . 53778 1 1802 . 1 . 1 149 149 GLY CA C 13 45.169 0.000 . . . . . . . 907 G CA . 53778 1 1803 . 1 . 1 149 149 GLY N N 15 111.613 0.000 . . . . . . . 907 G N . 53778 1 1804 . 1 . 1 150 150 GLU H H 1 8.049 0.000 . . . . . . . 908 E H . 53778 1 1805 . 1 . 1 150 150 GLU HA H 1 4.320 0.000 . . . . . . . 908 E HA . 53778 1 1806 . 1 . 1 150 150 GLU HB2 H 1 1.925 0.010 . . . . . . . 908 E HB2 . 53778 1 1807 . 1 . 1 150 150 GLU HB3 H 1 3.088 0.010 . . . . . . . 908 E HB3 . 53778 1 1808 . 1 . 1 150 150 GLU HG2 H 1 2.234 0.010 . . . . . . . 908 E HG2 . 53778 1 1809 . 1 . 1 150 150 GLU HG3 H 1 2.264 0.000 . . . . . . . 908 E HG3 . 53778 1 1810 . 1 . 1 150 150 GLU C C 13 176.626 0.000 . . . . . . . 908 E C . 53778 1 1811 . 1 . 1 150 150 GLU CA C 13 56.669 0.000 . . . . . . . 908 E CA . 53778 1 1812 . 1 . 1 150 150 GLU CB C 13 30.410 0.000 . . . . . . . 908 E CB . 53778 1 1813 . 1 . 1 150 150 GLU CG C 13 36.378 0.000 . . . . . . . 908 E CG . 53778 1 1814 . 1 . 1 150 150 GLU N N 15 120.269 0.000 . . . . . . . 908 E N . 53778 1 1815 . 1 . 1 151 151 SER H H 1 8.343 0.000 . . . . . . . 909 S H . 53778 1 1816 . 1 . 1 151 151 SER HA H 1 4.452 0.000 . . . . . . . 909 S HA . 53778 1 1817 . 1 . 1 151 151 SER HB2 H 1 3.844 0.000 . . . . . . . 909 S HB2 . 53778 1 1818 . 1 . 1 151 151 SER HB3 H 1 4.283 0.010 . . . . . . . 909 S HB3 . 53778 1 1819 . 1 . 1 151 151 SER C C 13 174.545 0.010 . . . . . . . 909 S C . 53778 1 1820 . 1 . 1 151 151 SER CA C 13 58.421 0.000 . . . . . . . 909 S CA . 53778 1 1821 . 1 . 1 151 151 SER CB C 13 64.227 0.000 . . . . . . . 909 S CB . 53778 1 1822 . 1 . 1 151 151 SER N N 15 116.445 0.000 . . . . . . . 909 S N . 53778 1 1823 . 1 . 1 152 152 ASP H H 1 8.430 0.000 . . . . . . . 910 D H . 53778 1 1824 . 1 . 1 152 152 ASP HA H 1 4.669 0.000 . . . . . . . 910 D HA . 53778 1 1825 . 1 . 1 152 152 ASP HB2 H 1 2.592 0.010 . . . . . . . 910 D HB2 . 53778 1 1826 . 1 . 1 152 152 ASP HB3 H 1 2.701 0.010 . . . . . . . 910 D HB3 . 53778 1 1827 . 1 . 1 152 152 ASP C C 13 175.173 0.000 . . . . . . . 910 D C . 53778 1 1828 . 1 . 1 152 152 ASP CA C 13 54.430 0.000 . . . . . . . 910 D CA . 53778 1 1829 . 1 . 1 152 152 ASP CB C 13 41.222 0.000 . . . . . . . 910 D CB . 53778 1 1830 . 1 . 1 152 152 ASP N N 15 123.165 0.000 . . . . . . . 910 D N . 53778 1 1831 . 1 . 1 153 153 LEU H H 1 7.753 0.000 . . . . . . . 911 L H . 53778 1 1832 . 1 . 1 153 153 LEU HA H 1 4.153 0.000 . . . . . . . 911 L HA . 53778 1 1833 . 1 . 1 153 153 LEU HB2 H 1 1.567 0.000 . . . . . . . 911 L HB2 . 53778 1 1834 . 1 . 1 153 153 LEU HB3 H 1 1.567 0.000 . . . . . . . 911 L HB3 . 53778 1 1835 . 1 . 1 153 153 LEU HG H 1 1.576 0.000 . . . . . . . 911 L HG . 53778 1 1836 . 1 . 1 153 153 LEU HD11 H 1 0.842 0.000 . . . . . . . 911 L QD1 . 53778 1 1837 . 1 . 1 153 153 LEU HD12 H 1 0.842 0.000 . . . . . . . 911 L QD1 . 53778 1 1838 . 1 . 1 153 153 LEU HD13 H 1 0.842 0.000 . . . . . . . 911 L QD1 . 53778 1 1839 . 1 . 1 153 153 LEU HD21 H 1 0.894 0.000 . . . . . . . 911 L QD2 . 53778 1 1840 . 1 . 1 153 153 LEU HD22 H 1 0.894 0.000 . . . . . . . 911 L QD2 . 53778 1 1841 . 1 . 1 153 153 LEU HD23 H 1 0.894 0.000 . . . . . . . 911 L QD2 . 53778 1 1842 . 1 . 1 153 153 LEU C C 13 171.048 0.000 . . . . . . . 911 L C . 53778 1 1843 . 1 . 1 153 153 LEU CA C 13 56.755 0.000 . . . . . . . 911 L CA . 53778 1 1844 . 1 . 1 153 153 LEU CB C 13 43.503 0.000 . . . . . . . 911 L CB . 53778 1 1845 . 1 . 1 153 153 LEU CG C 13 27.181 0.000 . . . . . . . 911 L CG . 53778 1 1846 . 1 . 1 153 153 LEU CD1 C 13 23.760 0.000 . . . . . . . 911 L CD1 . 53778 1 1847 . 1 . 1 153 153 LEU CD2 C 13 25.360 0.000 . . . . . . . 911 L CD2 . 53778 1 1848 . 1 . 1 153 153 LEU N N 15 127.363 0.000 . . . . . . . 911 L N . 53778 1 stop_ save_