data_28012 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28012 _Entry.Title ; Backbone resonance assignments for Human Focal Adhesion Targeting domain (892-1052) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-09-10 _Entry.Accession_date 2019-09-10 _Entry.Last_release_date 2019-09-10 _Entry.Original_release_date 2019-09-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _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 . _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 Carlos Alvarado . . . . 28012 2 William Cance . . . . 28012 3 Timothy Marlowe . . . . 28012 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28012 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 451 28012 '15N chemical shifts' 138 28012 '1H chemical shifts' 516 28012 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2020-04-21 2019-09-10 update BMRB 'update entry citation' 28012 1 . . 2019-10-15 2019-09-10 original author 'original release' 28012 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28012 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31540099 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Development of a fragment-based screening assay for the focal adhesion targeting domain using SPR and NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Molecules _Citation.Journal_name_full 'Molecules (Basel, Switzerland)' _Citation.Journal_volume 24 _Citation.Journal_issue 18 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1420-3049 _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 E3352 _Citation.Page_last E3352 _Citation.Year 2019 _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 Carlos Alvarado C. . . . 28012 1 2 Erik Stahl E. . . . 28012 1 3 Karissa Koessel K. . . . 28012 1 4 Andrew Rivera A. . . . 28012 1 5 Brian Cherry B. R. . . 28012 1 6 Surya Pulavarti . . . . 28012 1 7 Thomas Szyperski T. . . . 28012 1 8 William Cance W. . . . 28012 1 9 Timothy Marlowe T. . . . 28012 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Human FAT domain' 28012 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28012 _Assembly.ID 1 _Assembly.Name HFAT-892 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 19227 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 HFAT-892 1 $Human_Focal_Adhesion_Targeting_domain A . yes native no no . . . 28012 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Human_Focal_Adhesion_Targeting_domain _Entity.Sf_category entity _Entity.Sf_framecode Human_Focal_Adhesion_Targeting_domain _Entity.Entry_ID 28012 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Human_Focal_Adhesion_Targeting_domain _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 ; GSHMSSPADSYNEGVKLQPQ EISPPPTANLDRSNDKVYEN VTGLVKAVIEMSSKIQPAPP EEYVPMVKEVGLALRTLLAT VDETIPLLPASTHREIEMAQ KLLNSDLGELINKMKLAQQY VMTSLQQEYKKQMLTAAHAL AVDAKNLLDVIDQARLKMLG QTRPH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 888 _Entity.Polymer_author_seq_details . _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 165 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 Q05397 . . . . . . . . . . . . . . . . 28012 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 1 888 GLY . 28012 1 2 889 SER . 28012 1 3 890 HIS . 28012 1 4 891 MET . 28012 1 5 892 SER . 28012 1 6 893 SER . 28012 1 7 894 PRO . 28012 1 8 895 ALA . 28012 1 9 896 ASP . 28012 1 10 897 SER . 28012 1 11 898 TYR . 28012 1 12 899 ASN . 28012 1 13 900 GLU . 28012 1 14 901 GLY . 28012 1 15 902 VAL . 28012 1 16 903 LYS . 28012 1 17 904 LEU . 28012 1 18 905 GLN . 28012 1 19 906 PRO . 28012 1 20 907 GLN . 28012 1 21 908 GLU . 28012 1 22 909 ILE . 28012 1 23 910 SER . 28012 1 24 911 PRO . 28012 1 25 912 PRO . 28012 1 26 913 PRO . 28012 1 27 914 THR . 28012 1 28 915 ALA . 28012 1 29 916 ASN . 28012 1 30 917 LEU . 28012 1 31 918 ASP . 28012 1 32 919 ARG . 28012 1 33 920 SER . 28012 1 34 921 ASN . 28012 1 35 922 ASP . 28012 1 36 923 LYS . 28012 1 37 924 VAL . 28012 1 38 925 TYR . 28012 1 39 926 GLU . 28012 1 40 927 ASN . 28012 1 41 928 VAL . 28012 1 42 929 THR . 28012 1 43 930 GLY . 28012 1 44 931 LEU . 28012 1 45 932 VAL . 28012 1 46 933 LYS . 28012 1 47 934 ALA . 28012 1 48 935 VAL . 28012 1 49 936 ILE . 28012 1 50 937 GLU . 28012 1 51 938 MET . 28012 1 52 939 SER . 28012 1 53 940 SER . 28012 1 54 941 LYS . 28012 1 55 942 ILE . 28012 1 56 943 GLN . 28012 1 57 944 PRO . 28012 1 58 945 ALA . 28012 1 59 946 PRO . 28012 1 60 947 PRO . 28012 1 61 948 GLU . 28012 1 62 949 GLU . 28012 1 63 950 TYR . 28012 1 64 951 VAL . 28012 1 65 952 PRO . 28012 1 66 953 MET . 28012 1 67 954 VAL . 28012 1 68 955 LYS . 28012 1 69 956 GLU . 28012 1 70 957 VAL . 28012 1 71 958 GLY . 28012 1 72 959 LEU . 28012 1 73 960 ALA . 28012 1 74 961 LEU . 28012 1 75 962 ARG . 28012 1 76 963 THR . 28012 1 77 964 LEU . 28012 1 78 965 LEU . 28012 1 79 966 ALA . 28012 1 80 967 THR . 28012 1 81 968 VAL . 28012 1 82 969 ASP . 28012 1 83 970 GLU . 28012 1 84 971 THR . 28012 1 85 972 ILE . 28012 1 86 973 PRO . 28012 1 87 974 LEU . 28012 1 88 975 LEU . 28012 1 89 976 PRO . 28012 1 90 977 ALA . 28012 1 91 978 SER . 28012 1 92 979 THR . 28012 1 93 980 HIS . 28012 1 94 981 ARG . 28012 1 95 982 GLU . 28012 1 96 983 ILE . 28012 1 97 984 GLU . 28012 1 98 985 MET . 28012 1 99 986 ALA . 28012 1 100 987 GLN . 28012 1 101 988 LYS . 28012 1 102 989 LEU . 28012 1 103 990 LEU . 28012 1 104 991 ASN . 28012 1 105 992 SER . 28012 1 106 993 ASP . 28012 1 107 994 LEU . 28012 1 108 995 GLY . 28012 1 109 996 GLU . 28012 1 110 997 LEU . 28012 1 111 998 ILE . 28012 1 112 999 ASN . 28012 1 113 1000 LYS . 28012 1 114 1001 MET . 28012 1 115 1002 LYS . 28012 1 116 1003 LEU . 28012 1 117 1004 ALA . 28012 1 118 1005 GLN . 28012 1 119 1006 GLN . 28012 1 120 1007 TYR . 28012 1 121 1008 VAL . 28012 1 122 1009 MET . 28012 1 123 1010 THR . 28012 1 124 1011 SER . 28012 1 125 1012 LEU . 28012 1 126 1013 GLN . 28012 1 127 1014 GLN . 28012 1 128 1015 GLU . 28012 1 129 1016 TYR . 28012 1 130 1017 LYS . 28012 1 131 1018 LYS . 28012 1 132 1019 GLN . 28012 1 133 1020 MET . 28012 1 134 1021 LEU . 28012 1 135 1022 THR . 28012 1 136 1023 ALA . 28012 1 137 1024 ALA . 28012 1 138 1025 HIS . 28012 1 139 1026 ALA . 28012 1 140 1027 LEU . 28012 1 141 1028 ALA . 28012 1 142 1029 VAL . 28012 1 143 1030 ASP . 28012 1 144 1031 ALA . 28012 1 145 1032 LYS . 28012 1 146 1033 ASN . 28012 1 147 1034 LEU . 28012 1 148 1035 LEU . 28012 1 149 1036 ASP . 28012 1 150 1037 VAL . 28012 1 151 1038 ILE . 28012 1 152 1039 ASP . 28012 1 153 1040 GLN . 28012 1 154 1041 ALA . 28012 1 155 1042 ARG . 28012 1 156 1043 LEU . 28012 1 157 1044 LYS . 28012 1 158 1045 MET . 28012 1 159 1046 LEU . 28012 1 160 1047 GLY . 28012 1 161 1048 GLN . 28012 1 162 1049 THR . 28012 1 163 1050 ARG . 28012 1 164 1051 PRO . 28012 1 165 1052 HIS . 28012 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 28012 1 . SER 2 2 28012 1 . HIS 3 3 28012 1 . MET 4 4 28012 1 . SER 5 5 28012 1 . SER 6 6 28012 1 . PRO 7 7 28012 1 . ALA 8 8 28012 1 . ASP 9 9 28012 1 . SER 10 10 28012 1 . TYR 11 11 28012 1 . ASN 12 12 28012 1 . GLU 13 13 28012 1 . GLY 14 14 28012 1 . VAL 15 15 28012 1 . LYS 16 16 28012 1 . LEU 17 17 28012 1 . GLN 18 18 28012 1 . PRO 19 19 28012 1 . GLN 20 20 28012 1 . GLU 21 21 28012 1 . ILE 22 22 28012 1 . SER 23 23 28012 1 . PRO 24 24 28012 1 . PRO 25 25 28012 1 . PRO 26 26 28012 1 . THR 27 27 28012 1 . ALA 28 28 28012 1 . ASN 29 29 28012 1 . LEU 30 30 28012 1 . ASP 31 31 28012 1 . ARG 32 32 28012 1 . SER 33 33 28012 1 . ASN 34 34 28012 1 . ASP 35 35 28012 1 . LYS 36 36 28012 1 . VAL 37 37 28012 1 . TYR 38 38 28012 1 . GLU 39 39 28012 1 . ASN 40 40 28012 1 . VAL 41 41 28012 1 . THR 42 42 28012 1 . GLY 43 43 28012 1 . LEU 44 44 28012 1 . VAL 45 45 28012 1 . LYS 46 46 28012 1 . ALA 47 47 28012 1 . VAL 48 48 28012 1 . ILE 49 49 28012 1 . GLU 50 50 28012 1 . MET 51 51 28012 1 . SER 52 52 28012 1 . SER 53 53 28012 1 . LYS 54 54 28012 1 . ILE 55 55 28012 1 . GLN 56 56 28012 1 . PRO 57 57 28012 1 . ALA 58 58 28012 1 . PRO 59 59 28012 1 . PRO 60 60 28012 1 . GLU 61 61 28012 1 . GLU 62 62 28012 1 . TYR 63 63 28012 1 . VAL 64 64 28012 1 . PRO 65 65 28012 1 . MET 66 66 28012 1 . VAL 67 67 28012 1 . LYS 68 68 28012 1 . GLU 69 69 28012 1 . VAL 70 70 28012 1 . GLY 71 71 28012 1 . LEU 72 72 28012 1 . ALA 73 73 28012 1 . LEU 74 74 28012 1 . ARG 75 75 28012 1 . THR 76 76 28012 1 . LEU 77 77 28012 1 . LEU 78 78 28012 1 . ALA 79 79 28012 1 . THR 80 80 28012 1 . VAL 81 81 28012 1 . ASP 82 82 28012 1 . GLU 83 83 28012 1 . THR 84 84 28012 1 . ILE 85 85 28012 1 . PRO 86 86 28012 1 . LEU 87 87 28012 1 . LEU 88 88 28012 1 . PRO 89 89 28012 1 . ALA 90 90 28012 1 . SER 91 91 28012 1 . THR 92 92 28012 1 . HIS 93 93 28012 1 . ARG 94 94 28012 1 . GLU 95 95 28012 1 . ILE 96 96 28012 1 . GLU 97 97 28012 1 . MET 98 98 28012 1 . ALA 99 99 28012 1 . GLN 100 100 28012 1 . LYS 101 101 28012 1 . LEU 102 102 28012 1 . LEU 103 103 28012 1 . ASN 104 104 28012 1 . SER 105 105 28012 1 . ASP 106 106 28012 1 . LEU 107 107 28012 1 . GLY 108 108 28012 1 . GLU 109 109 28012 1 . LEU 110 110 28012 1 . ILE 111 111 28012 1 . ASN 112 112 28012 1 . LYS 113 113 28012 1 . MET 114 114 28012 1 . LYS 115 115 28012 1 . LEU 116 116 28012 1 . ALA 117 117 28012 1 . GLN 118 118 28012 1 . GLN 119 119 28012 1 . TYR 120 120 28012 1 . VAL 121 121 28012 1 . MET 122 122 28012 1 . THR 123 123 28012 1 . SER 124 124 28012 1 . LEU 125 125 28012 1 . GLN 126 126 28012 1 . GLN 127 127 28012 1 . GLU 128 128 28012 1 . TYR 129 129 28012 1 . LYS 130 130 28012 1 . LYS 131 131 28012 1 . GLN 132 132 28012 1 . MET 133 133 28012 1 . LEU 134 134 28012 1 . THR 135 135 28012 1 . ALA 136 136 28012 1 . ALA 137 137 28012 1 . HIS 138 138 28012 1 . ALA 139 139 28012 1 . LEU 140 140 28012 1 . ALA 141 141 28012 1 . VAL 142 142 28012 1 . ASP 143 143 28012 1 . ALA 144 144 28012 1 . LYS 145 145 28012 1 . ASN 146 146 28012 1 . LEU 147 147 28012 1 . LEU 148 148 28012 1 . ASP 149 149 28012 1 . VAL 150 150 28012 1 . ILE 151 151 28012 1 . ASP 152 152 28012 1 . GLN 153 153 28012 1 . ALA 154 154 28012 1 . ARG 155 155 28012 1 . LEU 156 156 28012 1 . LYS 157 157 28012 1 . MET 158 158 28012 1 . LEU 159 159 28012 1 . GLY 160 160 28012 1 . GLN 161 161 28012 1 . THR 162 162 28012 1 . ARG 163 163 28012 1 . PRO 164 164 28012 1 . HIS 165 165 28012 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 28012 _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 $Human_Focal_Adhesion_Targeting_domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 28012 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 28012 _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 $Human_Focal_Adhesion_Targeting_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET15B . . AviTag 28012 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28012 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details [U-15N,13C]-HFAT-892 _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TRIS 'natural abundance' . . . . . . 100 . . mM . . . . 28012 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 28012 1 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 28012 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 28012 1 5 D2O '[U-99% 2H]' . . . . . . 10 . . mM . . . . 28012 1 6 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 28012 1 7 'Human Focal Adhesion Targeting domain' '[U-13C; U-15N]' . . 1 $Human_Focal_Adhesion_Targeting_domain . . 0.5 . . mM . . . . 28012 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 28012 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 . M 28012 1 pH 8.0 0.1 pH 28012 1 pressure 1 . atm 28012 1 temperature 303 1 K 28012 1 stop_ save_ ############################ # Computer software used # ############################ save_PROSA _Software.Sf_category software _Software.Sf_framecode PROSA _Software.Entry_ID 28012 _Software.ID 1 _Software.Type . _Software.Name PROSA _Software.Version 6.7 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Guntert . . 28012 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 28012 1 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 28012 _Software.ID 2 _Software.Type . _Software.Name VNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 28012 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 28012 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 28012 _Software.ID 3 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 28012 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 28012 3 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 28012 _Software.ID 4 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 28012 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 28012 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 28012 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'Statler High Field NMR Facility, University at Buffalo' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model DD2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 28012 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'Statler High Field NMR Facility, University at Buffalo' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 28012 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian DD2 . 600 'Statler High Field NMR Facility, University at Buffalo' . . 28012 1 2 spectrometer_2 Varian INOVA . 750 'Statler High Field NMR Facility, University at Buffalo' . . 28012 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 28012 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 28012 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 28012 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 28012 1 4 '2D 1H-13C HSQC aliphatic (constant time)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 28012 1 5 '2D 1H-13C HSQC aromatic (constant time)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 28012 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 28012 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 28012 1 8 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 28012 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 28012 1 10 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 28012 1 11 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 28012 1 12 '3D [H]-NOESY-[NH/CH]' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 28012 1 13 '1D 1H' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 28012 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 28012 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 28012 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 28012 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 28012 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 28012 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 28012 1 4 '2D 1H-13C HSQC aliphatic (constant time)' . . . 28012 1 5 '2D 1H-13C HSQC aromatic (constant time)' . . . 28012 1 7 '3D HNCO' . . . 28012 1 8 '3D HNCA' . . . 28012 1 9 '3D CBCA(CO)NH' . . . 28012 1 10 '3D HNCACB' . . . 28012 1 11 '3D HBHA(CO)NH' . . . 28012 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 3 3 HIS HA H 1 4.110 0.030 . 1 . . . . . 890 HIS HA . 28012 1 2 . 1 . 1 3 3 HIS HB2 H 1 3.066 0.030 . 2 . . . . . 890 HIS HB2 . 28012 1 3 . 1 . 1 3 3 HIS HB3 H 1 2.798 0.030 . 2 . . . . . 890 HIS HB3 . 28012 1 4 . 1 . 1 3 3 HIS C C 13 176.933 0.500 . 1 . . . . . 890 HIS C . 28012 1 5 . 1 . 1 3 3 HIS CA C 13 54.496 0.500 . 1 . . . . . 890 HIS CA . 28012 1 6 . 1 . 1 3 3 HIS CB C 13 31.299 0.500 . 1 . . . . . 890 HIS CB . 28012 1 7 . 1 . 1 4 4 MET H H 1 8.295 0.030 . 1 . . . . . 891 MET H . 28012 1 8 . 1 . 1 4 4 MET HA H 1 4.388 0.030 . 1 . . . . . 891 MET HA . 28012 1 9 . 1 . 1 4 4 MET HB2 H 1 1.964 0.030 . 2 . . . . . 891 MET HB2 . 28012 1 10 . 1 . 1 4 4 MET HB3 H 1 1.978 0.030 . 2 . . . . . 891 MET HB3 . 28012 1 11 . 1 . 1 4 4 MET C C 13 175.736 0.500 . 1 . . . . . 891 MET C . 28012 1 12 . 1 . 1 4 4 MET CA C 13 54.810 0.500 . 1 . . . . . 891 MET CA . 28012 1 13 . 1 . 1 4 4 MET CB C 13 32.922 0.500 . 1 . . . . . 891 MET CB . 28012 1 14 . 1 . 1 4 4 MET N N 15 120.281 0.500 . 1 . . . . . 891 MET N . 28012 1 15 . 1 . 1 5 5 SER H H 1 8.222 0.030 . 1 . . . . . 892 SER H . 28012 1 16 . 1 . 1 5 5 SER HA H 1 4.455 0.030 . 1 . . . . . 892 SER HA . 28012 1 17 . 1 . 1 5 5 SER HB2 H 1 3.842 0.030 . 2 . . . . . 892 SER HB2 . 28012 1 18 . 1 . 1 5 5 SER HB3 H 1 3.842 0.030 . 2 . . . . . 892 SER HB3 . 28012 1 19 . 1 . 1 5 5 SER C C 13 173.963 0.500 . 1 . . . . . 892 SER C . 28012 1 20 . 1 . 1 5 5 SER CA C 13 57.885 0.500 . 1 . . . . . 892 SER CA . 28012 1 21 . 1 . 1 5 5 SER CB C 13 63.520 0.500 . 1 . . . . . 892 SER CB . 28012 1 22 . 1 . 1 5 5 SER N N 15 116.933 0.500 . 1 . . . . . 892 SER N . 28012 1 23 . 1 . 1 6 6 SER H H 1 8.306 0.030 . 1 . . . . . 893 SER H . 28012 1 24 . 1 . 1 6 6 SER C C 13 172.823 0.500 . 1 . . . . . 893 SER C . 28012 1 25 . 1 . 1 6 6 SER CA C 13 55.907 0.500 . 1 . . . . . 893 SER CA . 28012 1 26 . 1 . 1 6 6 SER CB C 13 63.256 0.500 . 1 . . . . . 893 SER CB . 28012 1 27 . 1 . 1 6 6 SER N N 15 118.663 0.500 . 1 . . . . . 893 SER N . 28012 1 28 . 1 . 1 7 7 PRO HA H 1 4.388 0.030 . 1 . . . . . 894 PRO HA . 28012 1 29 . 1 . 1 7 7 PRO HB2 H 1 2.280 0.030 . 2 . . . . . 894 PRO HB2 . 28012 1 30 . 1 . 1 7 7 PRO HB3 H 1 1.926 0.030 . 2 . . . . . 894 PRO HB3 . 28012 1 31 . 1 . 1 7 7 PRO C C 13 176.730 0.500 . 1 . . . . . 894 PRO C . 28012 1 32 . 1 . 1 7 7 PRO CA C 13 63.559 0.500 . 1 . . . . . 894 PRO CA . 28012 1 33 . 1 . 1 7 7 PRO CB C 13 31.803 0.500 . 1 . . . . . 894 PRO CB . 28012 1 34 . 1 . 1 8 8 ALA H H 1 8.236 0.030 . 1 . . . . . 895 ALA H . 28012 1 35 . 1 . 1 8 8 ALA HA H 1 4.216 0.030 . 1 . . . . . 895 ALA HA . 28012 1 36 . 1 . 1 8 8 ALA HB1 H 1 1.313 0.030 . 1 . . . . . 895 ALA HB1 . 28012 1 37 . 1 . 1 8 8 ALA HB2 H 1 1.313 0.030 . 1 . . . . . 895 ALA HB2 . 28012 1 38 . 1 . 1 8 8 ALA HB3 H 1 1.313 0.030 . 1 . . . . . 895 ALA HB3 . 28012 1 39 . 1 . 1 8 8 ALA C C 13 177.604 0.500 . 1 . . . . . 895 ALA C . 28012 1 40 . 1 . 1 8 8 ALA CA C 13 52.609 0.500 . 1 . . . . . 895 ALA CA . 28012 1 41 . 1 . 1 8 8 ALA CB C 13 19.138 0.500 . 1 . . . . . 895 ALA CB . 28012 1 42 . 1 . 1 8 8 ALA N N 15 123.247 0.500 . 1 . . . . . 895 ALA N . 28012 1 43 . 1 . 1 9 9 ASP H H 1 8.066 0.030 . 1 . . . . . 896 ASP H . 28012 1 44 . 1 . 1 9 9 ASP HA H 1 4.542 0.030 . 1 . . . . . 896 ASP HA . 28012 1 45 . 1 . 1 9 9 ASP HB2 H 1 2.635 0.030 . 2 . . . . . 896 ASP HB2 . 28012 1 46 . 1 . 1 9 9 ASP HB3 H 1 2.635 0.030 . 2 . . . . . 896 ASP HB3 . 28012 1 47 . 1 . 1 9 9 ASP C C 13 176.338 0.500 . 1 . . . . . 896 ASP C . 28012 1 48 . 1 . 1 9 9 ASP CA C 13 54.317 0.500 . 1 . . . . . 896 ASP CA . 28012 1 49 . 1 . 1 9 9 ASP CB C 13 40.879 0.500 . 1 . . . . . 896 ASP CB . 28012 1 50 . 1 . 1 9 9 ASP N N 15 118.771 0.500 . 1 . . . . . 896 ASP N . 28012 1 51 . 1 . 1 10 10 SER H H 1 7.984 0.030 . 1 . . . . . 897 SER H . 28012 1 52 . 1 . 1 10 10 SER HA H 1 4.340 0.030 . 1 . . . . . 897 SER HA . 28012 1 53 . 1 . 1 10 10 SER HB2 H 1 3.756 0.030 . 2 . . . . . 897 SER HB2 . 28012 1 54 . 1 . 1 10 10 SER HB3 H 1 3.756 0.030 . 2 . . . . . 897 SER HB3 . 28012 1 55 . 1 . 1 10 10 SER C C 13 174.280 0.500 . 1 . . . . . 897 SER C . 28012 1 56 . 1 . 1 10 10 SER CA C 13 58.306 0.500 . 1 . . . . . 897 SER CA . 28012 1 57 . 1 . 1 10 10 SER CB C 13 63.351 0.500 . 1 . . . . . 897 SER CB . 28012 1 58 . 1 . 1 10 10 SER N N 15 115.049 0.500 . 1 . . . . . 897 SER N . 28012 1 59 . 1 . 1 11 11 TYR H H 1 8.107 0.030 . 1 . . . . . 898 TYR H . 28012 1 60 . 1 . 1 11 11 TYR HA H 1 4.475 0.030 . 1 . . . . . 898 TYR HA . 28012 1 61 . 1 . 1 11 11 TYR HB2 H 1 2.980 0.030 . 2 . . . . . 898 TYR HB2 . 28012 1 62 . 1 . 1 11 11 TYR HB3 H 1 2.980 0.030 . 2 . . . . . 898 TYR HB3 . 28012 1 63 . 1 . 1 11 11 TYR C C 13 175.514 0.500 . 1 . . . . . 898 TYR C . 28012 1 64 . 1 . 1 11 11 TYR CA C 13 57.876 0.500 . 1 . . . . . 898 TYR CA . 28012 1 65 . 1 . 1 11 11 TYR CB C 13 38.431 0.500 . 1 . . . . . 898 TYR CB . 28012 1 66 . 1 . 1 11 11 TYR N N 15 121.845 0.500 . 1 . . . . . 898 TYR N . 28012 1 67 . 1 . 1 12 12 ASN H H 1 8.166 0.030 . 1 . . . . . 899 ASN H . 28012 1 68 . 1 . 1 12 12 ASN HA H 1 4.609 0.030 . 1 . . . . . 899 ASN HA . 28012 1 69 . 1 . 1 12 12 ASN HB2 H 1 2.769 0.030 . 2 . . . . . 899 ASN HB2 . 28012 1 70 . 1 . 1 12 12 ASN HB3 H 1 2.654 0.030 . 2 . . . . . 899 ASN HB3 . 28012 1 71 . 1 . 1 12 12 ASN C C 13 174.786 0.500 . 1 . . . . . 899 ASN C . 28012 1 72 . 1 . 1 12 12 ASN CA C 13 52.952 0.500 . 1 . . . . . 899 ASN CA . 28012 1 73 . 1 . 1 12 12 ASN CB C 13 39.022 0.500 . 1 . . . . . 899 ASN CB . 28012 1 74 . 1 . 1 12 12 ASN N N 15 120.443 0.500 . 1 . . . . . 899 ASN N . 28012 1 75 . 1 . 1 13 13 GLU H H 1 8.224 0.030 . 1 . . . . . 900 GLU H . 28012 1 76 . 1 . 1 13 13 GLU HA H 1 4.187 0.030 . 1 . . . . . 900 GLU HA . 28012 1 77 . 1 . 1 13 13 GLU HB2 H 1 2.060 0.030 . 2 . . . . . 900 GLU HB2 . 28012 1 78 . 1 . 1 13 13 GLU HB3 H 1 1.916 0.030 . 2 . . . . . 900 GLU HB3 . 28012 1 79 . 1 . 1 13 13 GLU C C 13 176.813 0.500 . 1 . . . . . 900 GLU C . 28012 1 80 . 1 . 1 13 13 GLU CA C 13 56.583 0.500 . 1 . . . . . 900 GLU CA . 28012 1 81 . 1 . 1 13 13 GLU CB C 13 29.819 0.500 . 1 . . . . . 900 GLU CB . 28012 1 82 . 1 . 1 13 13 GLU N N 15 121.036 0.500 . 1 . . . . . 900 GLU N . 28012 1 83 . 1 . 1 14 14 GLY H H 1 8.271 0.030 . 1 . . . . . 901 GLY H . 28012 1 84 . 1 . 1 14 14 GLY HA2 H 1 3.933 0.030 . 2 . . . . . 901 GLY HA2 . 28012 1 85 . 1 . 1 14 14 GLY HA3 H 1 3.896 0.030 . 2 . . . . . 901 GLY HA3 . 28012 1 86 . 1 . 1 14 14 GLY C C 13 173.963 0.500 . 1 . . . . . 901 GLY C . 28012 1 87 . 1 . 1 14 14 GLY CA C 13 45.402 0.500 . 1 . . . . . 901 GLY CA . 28012 1 88 . 1 . 1 14 14 GLY N N 15 108.974 0.500 . 1 . . . . . 901 GLY N . 28012 1 89 . 1 . 1 15 15 VAL H H 1 7.791 0.030 . 1 . . . . . 902 VAL H . 28012 1 90 . 1 . 1 15 15 VAL HA H 1 4.034 0.030 . 1 . . . . . 902 VAL HA . 28012 1 91 . 1 . 1 15 15 VAL HB H 1 2.016 0.030 . 1 . . . . . 902 VAL HB . 28012 1 92 . 1 . 1 15 15 VAL C C 13 175.894 0.500 . 1 . . . . . 902 VAL C . 28012 1 93 . 1 . 1 15 15 VAL CA C 13 62.184 0.500 . 1 . . . . . 902 VAL CA . 28012 1 94 . 1 . 1 15 15 VAL CB C 13 32.183 0.500 . 1 . . . . . 902 VAL CB . 28012 1 95 . 1 . 1 15 15 VAL N N 15 119.418 0.500 . 1 . . . . . 902 VAL N . 28012 1 96 . 1 . 1 16 16 LYS H H 1 8.231 0.030 . 1 . . . . . 903 LYS H . 28012 1 97 . 1 . 1 16 16 LYS HA H 1 4.265 0.030 . 1 . . . . . 903 LYS HA . 28012 1 98 . 1 . 1 16 16 LYS HB2 H 1 1.720 0.030 . 2 . . . . . 903 LYS HB2 . 28012 1 99 . 1 . 1 16 16 LYS HB3 H 1 1.720 0.030 . 2 . . . . . 903 LYS HB3 . 28012 1 100 . 1 . 1 16 16 LYS C C 13 176.029 0.500 . 1 . . . . . 903 LYS C . 28012 1 101 . 1 . 1 16 16 LYS CA C 13 55.907 0.500 . 1 . . . . . 903 LYS CA . 28012 1 102 . 1 . 1 16 16 LYS CB C 13 32.729 0.500 . 1 . . . . . 903 LYS CB . 28012 1 103 . 1 . 1 16 16 LYS N N 15 124.976 0.500 . 1 . . . . . 903 LYS N . 28012 1 104 . 1 . 1 17 17 LEU H H 1 8.144 0.030 . 1 . . . . . 904 LEU H . 28012 1 105 . 1 . 1 17 17 LEU HA H 1 4.311 0.030 . 1 . . . . . 904 LEU HA . 28012 1 106 . 1 . 1 17 17 LEU HB2 H 1 1.555 0.030 . 2 . . . . . 904 LEU HB2 . 28012 1 107 . 1 . 1 17 17 LEU HB3 H 1 1.500 0.030 . 2 . . . . . 904 LEU HB3 . 28012 1 108 . 1 . 1 17 17 LEU C C 13 176.813 0.500 . 1 . . . . . 904 LEU C . 28012 1 109 . 1 . 1 17 17 LEU CA C 13 54.717 0.500 . 1 . . . . . 904 LEU CA . 28012 1 110 . 1 . 1 17 17 LEU CB C 13 42.219 0.500 . 1 . . . . . 904 LEU CB . 28012 1 111 . 1 . 1 17 17 LEU N N 15 123.744 0.500 . 1 . . . . . 904 LEU N . 28012 1 112 . 1 . 1 18 18 GLN H H 1 8.313 0.030 . 1 . . . . . 905 GLN H . 28012 1 113 . 1 . 1 18 18 GLN C C 13 173.995 0.500 . 1 . . . . . 905 GLN C . 28012 1 114 . 1 . 1 18 18 GLN CA C 13 53.418 0.500 . 1 . . . . . 905 GLN CA . 28012 1 115 . 1 . 1 18 18 GLN CB C 13 28.415 0.500 . 1 . . . . . 905 GLN CB . 28012 1 116 . 1 . 1 18 18 GLN N N 15 122.119 0.500 . 1 . . . . . 905 GLN N . 28012 1 117 . 1 . 1 19 19 PRO HA H 1 4.357 0.030 . 1 . . . . . 906 PRO HA . 28012 1 118 . 1 . 1 19 19 PRO HB2 H 1 2.242 0.030 . 2 . . . . . 906 PRO HB2 . 28012 1 119 . 1 . 1 19 19 PRO HB3 H 1 1.878 0.030 . 2 . . . . . 906 PRO HB3 . 28012 1 120 . 1 . 1 19 19 PRO C C 13 176.813 0.500 . 1 . . . . . 906 PRO C . 28012 1 121 . 1 . 1 19 19 PRO CA C 13 63.374 0.500 . 1 . . . . . 906 PRO CA . 28012 1 122 . 1 . 1 19 19 PRO CB C 13 31.551 0.500 . 1 . . . . . 906 PRO CB . 28012 1 123 . 1 . 1 20 20 GLN H H 1 8.435 0.030 . 1 . . . . . 907 GLN H . 28012 1 124 . 1 . 1 20 20 GLN HA H 1 4.273 0.030 . 1 . . . . . 907 GLN HA . 28012 1 125 . 1 . 1 20 20 GLN HB2 H 1 2.022 0.030 . 2 . . . . . 907 GLN HB2 . 28012 1 126 . 1 . 1 20 20 GLN HB3 H 1 1.936 0.030 . 2 . . . . . 907 GLN HB3 . 28012 1 127 . 1 . 1 20 20 GLN C C 13 175.799 0.500 . 1 . . . . . 907 GLN C . 28012 1 128 . 1 . 1 20 20 GLN CA C 13 55.739 0.500 . 1 . . . . . 907 GLN CA . 28012 1 129 . 1 . 1 20 20 GLN CB C 13 29.143 0.500 . 1 . . . . . 907 GLN CB . 28012 1 130 . 1 . 1 20 20 GLN N N 15 119.903 0.500 . 1 . . . . . 907 GLN N . 28012 1 131 . 1 . 1 21 21 GLU H H 1 8.336 0.030 . 1 . . . . . 908 GLU H . 28012 1 132 . 1 . 1 21 21 GLU HA H 1 4.264 0.030 . 1 . . . . . 908 GLU HA . 28012 1 133 . 1 . 1 21 21 GLU HB2 H 1 1.983 0.030 . 2 . . . . . 908 GLU HB2 . 28012 1 134 . 1 . 1 21 21 GLU HB3 H 1 1.897 0.030 . 2 . . . . . 908 GLU HB3 . 28012 1 135 . 1 . 1 21 21 GLU C C 13 175.989 0.500 . 1 . . . . . 908 GLU C . 28012 1 136 . 1 . 1 21 21 GLU CA C 13 56.081 0.500 . 1 . . . . . 908 GLU CA . 28012 1 137 . 1 . 1 21 21 GLU CB C 13 30.241 0.500 . 1 . . . . . 908 GLU CB . 28012 1 138 . 1 . 1 21 21 GLU N N 15 121.899 0.500 . 1 . . . . . 908 GLU N . 28012 1 139 . 1 . 1 22 22 ILE H H 1 8.078 0.030 . 1 . . . . . 909 ILE H . 28012 1 140 . 1 . 1 22 22 ILE HA H 1 4.168 0.030 . 1 . . . . . 909 ILE HA . 28012 1 141 . 1 . 1 22 22 ILE HB H 1 1.801 0.030 . 1 . . . . . 909 ILE HB . 28012 1 142 . 1 . 1 22 22 ILE C C 13 175.546 0.500 . 1 . . . . . 909 ILE C . 28012 1 143 . 1 . 1 22 22 ILE CA C 13 60.382 0.500 . 1 . . . . . 909 ILE CA . 28012 1 144 . 1 . 1 22 22 ILE CB C 13 38.500 0.500 . 1 . . . . . 909 ILE CB . 28012 1 145 . 1 . 1 22 22 ILE N N 15 121.575 0.500 . 1 . . . . . 909 ILE N . 28012 1 146 . 1 . 1 23 23 SER H H 1 8.213 0.030 . 1 . . . . . 910 SER H . 28012 1 147 . 1 . 1 23 23 SER C C 13 171.852 0.500 . 1 . . . . . 910 SER C . 28012 1 148 . 1 . 1 23 23 SER CA C 13 55.959 0.500 . 1 . . . . . 910 SER CA . 28012 1 149 . 1 . 1 23 23 SER CB C 13 63.084 0.500 . 1 . . . . . 910 SER CB . 28012 1 150 . 1 . 1 23 23 SER N N 15 120.604 0.500 . 1 . . . . . 910 SER N . 28012 1 151 . 1 . 1 26 26 PRO HA H 1 4.484 0.030 . 1 . . . . . 913 PRO HA . 28012 1 152 . 1 . 1 26 26 PRO HB2 H 1 2.300 0.030 . 2 . . . . . 913 PRO HB2 . 28012 1 153 . 1 . 1 26 26 PRO HB3 H 1 1.945 0.030 . 2 . . . . . 913 PRO HB3 . 28012 1 154 . 1 . 1 26 26 PRO C C 13 176.974 0.500 . 1 . . . . . 913 PRO C . 28012 1 155 . 1 . 1 26 26 PRO CA C 13 62.836 0.500 . 1 . . . . . 913 PRO CA . 28012 1 156 . 1 . 1 26 26 PRO CB C 13 31.719 0.500 . 1 . . . . . 913 PRO CB . 28012 1 157 . 1 . 1 27 27 THR H H 1 8.081 0.030 . 1 . . . . . 914 THR H . 28012 1 158 . 1 . 1 27 27 THR HA H 1 4.101 0.030 . 1 . . . . . 914 THR HA . 28012 1 159 . 1 . 1 27 27 THR C C 13 174.786 0.500 . 1 . . . . . 914 THR C . 28012 1 160 . 1 . 1 27 27 THR CA C 13 62.356 0.500 . 1 . . . . . 914 THR CA . 28012 1 161 . 1 . 1 27 27 THR CB C 13 69.070 0.500 . 1 . . . . . 914 THR CB . 28012 1 162 . 1 . 1 27 27 THR N N 15 112.853 0.500 . 1 . . . . . 914 THR N . 28012 1 163 . 1 . 1 28 28 ALA H H 1 8.220 0.030 . 1 . . . . . 915 ALA H . 28012 1 164 . 1 . 1 28 28 ALA HA H 1 4.216 0.030 . 1 . . . . . 915 ALA HA . 28012 1 165 . 1 . 1 28 28 ALA HB1 H 1 1.313 0.030 . 1 . . . . . 915 ALA HB1 . 28012 1 166 . 1 . 1 28 28 ALA HB2 H 1 1.313 0.030 . 1 . . . . . 915 ALA HB2 . 28012 1 167 . 1 . 1 28 28 ALA HB3 H 1 1.313 0.030 . 1 . . . . . 915 ALA HB3 . 28012 1 168 . 1 . 1 28 28 ALA C C 13 176.800 0.500 . 1 . . . . . 915 ALA C . 28012 1 169 . 1 . 1 28 28 ALA CA C 13 52.332 0.500 . 1 . . . . . 915 ALA CA . 28012 1 170 . 1 . 1 28 28 ALA CB C 13 18.936 0.500 . 1 . . . . . 915 ALA CB . 28012 1 171 . 1 . 1 28 28 ALA N N 15 125.044 0.500 . 1 . . . . . 915 ALA N . 28012 1 172 . 1 . 1 29 29 ASN H H 1 8.236 0.030 . 1 . . . . . 916 ASN H . 28012 1 173 . 1 . 1 29 29 ASN HA H 1 4.590 0.030 . 1 . . . . . 916 ASN HA . 28012 1 174 . 1 . 1 29 29 ASN HB2 H 1 2.769 0.030 . 2 . . . . . 916 ASN HB2 . 28012 1 175 . 1 . 1 29 29 ASN HB3 H 1 2.664 0.030 . 2 . . . . . 916 ASN HB3 . 28012 1 176 . 1 . 1 29 29 ASN C C 13 174.517 0.500 . 1 . . . . . 916 ASN C . 28012 1 177 . 1 . 1 29 29 ASN CA C 13 52.820 0.500 . 1 . . . . . 916 ASN CA . 28012 1 178 . 1 . 1 29 29 ASN CB C 13 38.549 0.500 . 1 . . . . . 916 ASN CB . 28012 1 179 . 1 . 1 29 29 ASN N N 15 116.667 0.500 . 1 . . . . . 916 ASN N . 28012 1 180 . 1 . 1 30 30 LEU H H 1 7.638 0.030 . 1 . . . . . 917 LEU H . 28012 1 181 . 1 . 1 30 30 LEU HA H 1 4.273 0.030 . 1 . . . . . 917 LEU HA . 28012 1 182 . 1 . 1 30 30 LEU HB2 H 1 1.380 0.030 . 2 . . . . . 917 LEU HB2 . 28012 1 183 . 1 . 1 30 30 LEU HB3 H 1 1.380 0.030 . 2 . . . . . 917 LEU HB3 . 28012 1 184 . 1 . 1 30 30 LEU C C 13 176.179 0.500 . 1 . . . . . 917 LEU C . 28012 1 185 . 1 . 1 30 30 LEU CA C 13 54.050 0.500 . 1 . . . . . 917 LEU CA . 28012 1 186 . 1 . 1 30 30 LEU CB C 13 42.399 0.500 . 1 . . . . . 917 LEU CB . 28012 1 187 . 1 . 1 30 30 LEU N N 15 121.629 0.500 . 1 . . . . . 917 LEU N . 28012 1 188 . 1 . 1 31 31 ASP H H 1 8.348 0.030 . 1 . . . . . 918 ASP H . 28012 1 189 . 1 . 1 31 31 ASP HA H 1 4.417 0.030 . 1 . . . . . 918 ASP HA . 28012 1 190 . 1 . 1 31 31 ASP HB2 H 1 2.731 0.030 . 2 . . . . . 918 ASP HB2 . 28012 1 191 . 1 . 1 31 31 ASP HB3 H 1 2.587 0.030 . 2 . . . . . 918 ASP HB3 . 28012 1 192 . 1 . 1 31 31 ASP C C 13 177.402 0.500 . 1 . . . . . 918 ASP C . 28012 1 193 . 1 . 1 31 31 ASP CA C 13 54.050 0.500 . 1 . . . . . 918 ASP CA . 28012 1 194 . 1 . 1 31 31 ASP CB C 13 40.881 0.500 . 1 . . . . . 918 ASP CB . 28012 1 195 . 1 . 1 31 31 ASP N N 15 121.362 0.500 . 1 . . . . . 918 ASP N . 28012 1 196 . 1 . 1 32 32 ARG H H 1 8.693 0.030 . 1 . . . . . 919 ARG H . 28012 1 197 . 1 . 1 32 32 ARG HA H 1 4.254 0.030 . 1 . . . . . 919 ARG HA . 28012 1 198 . 1 . 1 32 32 ARG C C 13 177.541 0.500 . 1 . . . . . 919 ARG C . 28012 1 199 . 1 . 1 32 32 ARG CA C 13 54.017 0.500 . 1 . . . . . 919 ARG CA . 28012 1 200 . 1 . 1 32 32 ARG CB C 13 29.628 0.500 . 1 . . . . . 919 ARG CB . 28012 1 201 . 1 . 1 32 32 ARG N N 15 124.073 0.500 . 1 . . . . . 919 ARG N . 28012 1 202 . 1 . 1 33 33 SER H H 1 8.499 0.030 . 1 . . . . . 920 SER H . 28012 1 203 . 1 . 1 33 33 SER HA H 1 4.063 0.030 . 1 . . . . . 920 SER HA . 28012 1 204 . 1 . 1 33 33 SER HB2 H 1 3.813 0.030 . 2 . . . . . 920 SER HB2 . 28012 1 205 . 1 . 1 33 33 SER HB3 H 1 3.813 0.030 . 2 . . . . . 920 SER HB3 . 28012 1 206 . 1 . 1 33 33 SER C C 13 174.755 0.500 . 1 . . . . . 920 SER C . 28012 1 207 . 1 . 1 33 33 SER CA C 13 61.050 0.500 . 1 . . . . . 920 SER CA . 28012 1 208 . 1 . 1 33 33 SER CB C 13 62.258 0.500 . 1 . . . . . 920 SER CB . 28012 1 209 . 1 . 1 33 33 SER N N 15 118.355 0.500 . 1 . . . . . 920 SER N . 28012 1 210 . 1 . 1 34 34 ASN H H 1 8.476 0.030 . 1 . . . . . 921 ASN H . 28012 1 211 . 1 . 1 34 34 ASN HA H 1 4.752 0.030 . 1 . . . . . 921 ASN HA . 28012 1 212 . 1 . 1 34 34 ASN HB2 H 1 2.874 0.030 . 2 . . . . . 921 ASN HB2 . 28012 1 213 . 1 . 1 34 34 ASN HB3 H 1 2.568 0.030 . 2 . . . . . 921 ASN HB3 . 28012 1 214 . 1 . 1 34 34 ASN C C 13 173.836 0.500 . 1 . . . . . 921 ASN C . 28012 1 215 . 1 . 1 34 34 ASN CA C 13 52.784 0.500 . 1 . . . . . 921 ASN CA . 28012 1 216 . 1 . 1 34 34 ASN CB C 13 38.515 0.500 . 1 . . . . . 921 ASN CB . 28012 1 217 . 1 . 1 34 34 ASN N N 15 119.687 0.500 . 1 . . . . . 921 ASN N . 28012 1 218 . 1 . 1 35 35 ASP H H 1 7.433 0.030 . 1 . . . . . 922 ASP H . 28012 1 219 . 1 . 1 35 35 ASP HA H 1 4.657 0.030 . 1 . . . . . 922 ASP HA . 28012 1 220 . 1 . 1 35 35 ASP HB2 H 1 2.999 0.030 . 2 . . . . . 922 ASP HB2 . 28012 1 221 . 1 . 1 35 35 ASP HB3 H 1 2.464 0.030 . 2 . . . . . 922 ASP HB3 . 28012 1 222 . 1 . 1 35 35 ASP C C 13 176.053 0.500 . 1 . . . . . 922 ASP C . 28012 1 223 . 1 . 1 35 35 ASP CA C 13 52.816 0.500 . 1 . . . . . 922 ASP CA . 28012 1 224 . 1 . 1 35 35 ASP CB C 13 41.470 0.500 . 1 . . . . . 922 ASP CB . 28012 1 225 . 1 . 1 35 35 ASP N N 15 118.963 0.500 . 1 . . . . . 922 ASP N . 28012 1 226 . 1 . 1 36 36 LYS H H 1 8.576 0.030 . 1 . . . . . 923 LYS H . 28012 1 227 . 1 . 1 36 36 LYS HA H 1 4.094 0.030 . 1 . . . . . 923 LYS HA . 28012 1 228 . 1 . 1 36 36 LYS HB2 H 1 1.801 0.030 . 2 . . . . . 923 LYS HB2 . 28012 1 229 . 1 . 1 36 36 LYS HB3 H 1 1.801 0.030 . 2 . . . . . 923 LYS HB3 . 28012 1 230 . 1 . 1 36 36 LYS C C 13 179.155 0.500 . 1 . . . . . 923 LYS C . 28012 1 231 . 1 . 1 36 36 LYS CA C 13 57.801 0.500 . 1 . . . . . 923 LYS CA . 28012 1 232 . 1 . 1 36 36 LYS CB C 13 32.235 0.500 . 1 . . . . . 923 LYS CB . 28012 1 233 . 1 . 1 36 36 LYS N N 15 126.214 0.500 . 1 . . . . . 923 LYS N . 28012 1 234 . 1 . 1 37 37 VAL H H 1 7.908 0.030 . 1 . . . . . 924 VAL H . 28012 1 235 . 1 . 1 37 37 VAL HA H 1 3.421 0.030 . 1 . . . . . 924 VAL HA . 28012 1 236 . 1 . 1 37 37 VAL HB H 1 2.300 0.030 . 1 . . . . . 924 VAL HB . 28012 1 237 . 1 . 1 37 37 VAL C C 13 177.351 0.500 . 1 . . . . . 924 VAL C . 28012 1 238 . 1 . 1 37 37 VAL CA C 13 66.767 0.500 . 1 . . . . . 924 VAL CA . 28012 1 239 . 1 . 1 37 37 VAL CB C 13 30.231 0.500 . 1 . . . . . 924 VAL CB . 28012 1 240 . 1 . 1 37 37 VAL N N 15 119.367 0.500 . 1 . . . . . 924 VAL N . 28012 1 241 . 1 . 1 38 38 TYR H H 1 8.008 0.030 . 1 . . . . . 925 TYR H . 28012 1 242 . 1 . 1 38 38 TYR HA H 1 3.842 0.030 . 1 . . . . . 925 TYR HA . 28012 1 243 . 1 . 1 38 38 TYR HB2 H 1 3.018 0.030 . 2 . . . . . 925 TYR HB2 . 28012 1 244 . 1 . 1 38 38 TYR HB3 H 1 3.018 0.030 . 2 . . . . . 925 TYR HB3 . 28012 1 245 . 1 . 1 38 38 TYR C C 13 178.516 0.500 . 1 . . . . . 925 TYR C . 28012 1 246 . 1 . 1 38 38 TYR CA C 13 61.817 0.500 . 1 . . . . . 925 TYR CA . 28012 1 247 . 1 . 1 38 38 TYR CB C 13 38.515 0.500 . 1 . . . . . 925 TYR CB . 28012 1 248 . 1 . 1 38 38 TYR N N 15 120.604 0.500 . 1 . . . . . 925 TYR N . 28012 1 249 . 1 . 1 39 39 GLU H H 1 8.412 0.030 . 1 . . . . . 926 GLU H . 28012 1 250 . 1 . 1 39 39 GLU HA H 1 3.851 0.030 . 1 . . . . . 926 GLU HA . 28012 1 251 . 1 . 1 39 39 GLU HB2 H 1 2.175 0.030 . 2 . . . . . 926 GLU HB2 . 28012 1 252 . 1 . 1 39 39 GLU HB3 H 1 2.065 0.030 . 2 . . . . . 926 GLU HB3 . 28012 1 253 . 1 . 1 39 39 GLU C C 13 179.060 0.500 . 1 . . . . . 926 GLU C . 28012 1 254 . 1 . 1 39 39 GLU CA C 13 59.658 0.500 . 1 . . . . . 926 GLU CA . 28012 1 255 . 1 . 1 39 39 GLU CB C 13 29.650 0.500 . 1 . . . . . 926 GLU CB . 28012 1 256 . 1 . 1 39 39 GLU N N 15 120.712 0.500 . 1 . . . . . 926 GLU N . 28012 1 257 . 1 . 1 40 40 ASN H H 1 8.353 0.030 . 1 . . . . . 927 ASN H . 28012 1 258 . 1 . 1 40 40 ASN HA H 1 4.657 0.030 . 1 . . . . . 927 ASN HA . 28012 1 259 . 1 . 1 40 40 ASN HB2 H 1 2.889 0.030 . 2 . . . . . 927 ASN HB2 . 28012 1 260 . 1 . 1 40 40 ASN HB3 H 1 2.539 0.030 . 2 . . . . . 927 ASN HB3 . 28012 1 261 . 1 . 1 40 40 ASN C C 13 178.945 0.500 . 1 . . . . . 927 ASN C . 28012 1 262 . 1 . 1 40 40 ASN CA C 13 55.362 0.500 . 1 . . . . . 927 ASN CA . 28012 1 263 . 1 . 1 40 40 ASN CB C 13 39.215 0.500 . 1 . . . . . 927 ASN CB . 28012 1 264 . 1 . 1 40 40 ASN N N 15 117.422 0.500 . 1 . . . . . 927 ASN N . 28012 1 265 . 1 . 1 41 41 VAL H H 1 9.053 0.030 . 1 . . . . . 928 VAL H . 28012 1 266 . 1 . 1 41 41 VAL HA H 1 3.545 0.030 . 1 . . . . . 928 VAL HA . 28012 1 267 . 1 . 1 41 41 VAL HB H 1 2.083 0.030 . 1 . . . . . 928 VAL HB . 28012 1 268 . 1 . 1 41 41 VAL C C 13 177.066 0.500 . 1 . . . . . 928 VAL C . 28012 1 269 . 1 . 1 41 41 VAL CA C 13 67.137 0.500 . 1 . . . . . 928 VAL CA . 28012 1 270 . 1 . 1 41 41 VAL N N 15 124.836 0.500 . 1 . . . . . 928 VAL N . 28012 1 271 . 1 . 1 42 42 THR H H 1 8.207 0.030 . 1 . . . . . 929 THR H . 28012 1 272 . 1 . 1 42 42 THR HA H 1 3.612 0.030 . 1 . . . . . 929 THR HA . 28012 1 273 . 1 . 1 42 42 THR C C 13 177.097 0.500 . 1 . . . . . 929 THR C . 28012 1 274 . 1 . 1 42 42 THR CA C 13 66.921 0.500 . 1 . . . . . 929 THR CA . 28012 1 275 . 1 . 1 42 42 THR CB C 13 66.991 0.500 . 1 . . . . . 929 THR CB . 28012 1 276 . 1 . 1 42 42 THR N N 15 115.356 0.500 . 1 . . . . . 929 THR N . 28012 1 277 . 1 . 1 43 43 GLY H H 1 8.214 0.030 . 1 . . . . . 930 GLY H . 28012 1 278 . 1 . 1 43 43 GLY HA2 H 1 3.957 0.030 . 2 . . . . . 930 GLY HA2 . 28012 1 279 . 1 . 1 43 43 GLY HA3 H 1 3.833 0.030 . 2 . . . . . 930 GLY HA3 . 28012 1 280 . 1 . 1 43 43 GLY C C 13 176.053 0.500 . 1 . . . . . 930 GLY C . 28012 1 281 . 1 . 1 43 43 GLY CA C 13 46.868 0.500 . 1 . . . . . 930 GLY CA . 28012 1 282 . 1 . 1 43 43 GLY N N 15 108.025 0.500 . 1 . . . . . 930 GLY N . 28012 1 283 . 1 . 1 44 44 LEU H H 1 7.715 0.030 . 1 . . . . . 931 LEU H . 28012 1 284 . 1 . 1 44 44 LEU HA H 1 4.139 0.030 . 1 . . . . . 931 LEU HA . 28012 1 285 . 1 . 1 44 44 LEU HB2 H 1 1.437 0.030 . 2 . . . . . 931 LEU HB2 . 28012 1 286 . 1 . 1 44 44 LEU HB3 H 1 1.418 0.030 . 2 . . . . . 931 LEU HB3 . 28012 1 287 . 1 . 1 44 44 LEU C C 13 177.509 0.500 . 1 . . . . . 931 LEU C . 28012 1 288 . 1 . 1 44 44 LEU CA C 13 57.765 0.500 . 1 . . . . . 931 LEU CA . 28012 1 289 . 1 . 1 44 44 LEU CB C 13 41.654 0.500 . 1 . . . . . 931 LEU CB . 28012 1 290 . 1 . 1 44 44 LEU N N 15 123.948 0.500 . 1 . . . . . 931 LEU N . 28012 1 291 . 1 . 1 45 45 VAL H H 1 8.594 0.030 . 1 . . . . . 932 VAL H . 28012 1 292 . 1 . 1 45 45 VAL HA H 1 3.296 0.030 . 1 . . . . . 932 VAL HA . 28012 1 293 . 1 . 1 45 45 VAL HB H 1 2.089 0.030 . 1 . . . . . 932 VAL HB . 28012 1 294 . 1 . 1 45 45 VAL C C 13 177.667 0.500 . 1 . . . . . 932 VAL C . 28012 1 295 . 1 . 1 45 45 VAL CA C 13 67.839 0.500 . 1 . . . . . 932 VAL CA . 28012 1 296 . 1 . 1 45 45 VAL CB C 13 31.001 0.500 . 1 . . . . . 932 VAL CB . 28012 1 297 . 1 . 1 45 45 VAL N N 15 119.849 0.500 . 1 . . . . . 932 VAL N . 28012 1 298 . 1 . 1 46 46 LYS H H 1 8.383 0.030 . 1 . . . . . 933 LYS H . 28012 1 299 . 1 . 1 46 46 LYS HA H 1 3.900 0.030 . 1 . . . . . 933 LYS HA . 28012 1 300 . 1 . 1 46 46 LYS HB2 H 1 1.888 0.030 . 2 . . . . . 933 LYS HB2 . 28012 1 301 . 1 . 1 46 46 LYS HB3 H 1 1.888 0.030 . 2 . . . . . 933 LYS HB3 . 28012 1 302 . 1 . 1 46 46 LYS C C 13 178.522 0.500 . 1 . . . . . 933 LYS C . 28012 1 303 . 1 . 1 46 46 LYS CA C 13 59.876 0.500 . 1 . . . . . 933 LYS CA . 28012 1 304 . 1 . 1 46 46 LYS CB C 13 31.845 0.500 . 1 . . . . . 933 LYS CB . 28012 1 305 . 1 . 1 46 46 LYS N N 15 118.501 0.500 . 1 . . . . . 933 LYS N . 28012 1 306 . 1 . 1 47 47 ALA H H 1 7.756 0.030 . 1 . . . . . 934 ALA H . 28012 1 307 . 1 . 1 47 47 ALA HA H 1 4.225 0.030 . 1 . . . . . 934 ALA HA . 28012 1 308 . 1 . 1 47 47 ALA HB1 H 1 1.514 0.030 . 1 . . . . . 934 ALA HB1 . 28012 1 309 . 1 . 1 47 47 ALA HB2 H 1 1.514 0.030 . 1 . . . . . 934 ALA HB2 . 28012 1 310 . 1 . 1 47 47 ALA HB3 H 1 1.514 0.030 . 1 . . . . . 934 ALA HB3 . 28012 1 311 . 1 . 1 47 47 ALA C C 13 180.802 0.500 . 1 . . . . . 934 ALA C . 28012 1 312 . 1 . 1 47 47 ALA CA C 13 54.810 0.500 . 1 . . . . . 934 ALA CA . 28012 1 313 . 1 . 1 47 47 ALA CB C 13 17.239 0.500 . 1 . . . . . 934 ALA CB . 28012 1 314 . 1 . 1 47 47 ALA N N 15 121.252 0.500 . 1 . . . . . 934 ALA N . 28012 1 315 . 1 . 1 48 48 VAL H H 1 8.371 0.030 . 1 . . . . . 935 VAL H . 28012 1 316 . 1 . 1 48 48 VAL HA H 1 3.536 0.030 . 1 . . . . . 935 VAL HA . 28012 1 317 . 1 . 1 48 48 VAL HB H 1 2.309 0.030 . 1 . . . . . 935 VAL HB . 28012 1 318 . 1 . 1 48 48 VAL C C 13 178.586 0.500 . 1 . . . . . 935 VAL C . 28012 1 319 . 1 . 1 48 48 VAL CA C 13 66.952 0.500 . 1 . . . . . 935 VAL CA . 28012 1 320 . 1 . 1 48 48 VAL CB C 13 31.339 0.500 . 1 . . . . . 935 VAL CB . 28012 1 321 . 1 . 1 48 48 VAL N N 15 119.957 0.500 . 1 . . . . . 935 VAL N . 28012 1 322 . 1 . 1 49 49 ILE H H 1 8.845 0.030 . 1 . . . . . 936 ILE H . 28012 1 323 . 1 . 1 49 49 ILE HA H 1 3.641 0.030 . 1 . . . . . 936 ILE HA . 28012 1 324 . 1 . 1 49 49 ILE HB H 1 2.003 0.030 . 1 . . . . . 936 ILE HB . 28012 1 325 . 1 . 1 49 49 ILE C C 13 179.282 0.500 . 1 . . . . . 936 ILE C . 28012 1 326 . 1 . 1 49 49 ILE CA C 13 65.317 0.500 . 1 . . . . . 936 ILE CA . 28012 1 327 . 1 . 1 49 49 ILE CB C 13 37.197 0.500 . 1 . . . . . 936 ILE CB . 28012 1 328 . 1 . 1 49 49 ILE N N 15 124.865 0.500 . 1 . . . . . 936 ILE N . 28012 1 329 . 1 . 1 50 50 GLU H H 1 8.500 0.030 . 1 . . . . . 937 GLU H . 28012 1 330 . 1 . 1 50 50 GLU HA H 1 4.015 0.030 . 1 . . . . . 937 GLU HA . 28012 1 331 . 1 . 1 50 50 GLU HB2 H 1 2.098 0.030 . 2 . . . . . 937 GLU HB2 . 28012 1 332 . 1 . 1 50 50 GLU HB3 H 1 1.955 0.030 . 2 . . . . . 937 GLU HB3 . 28012 1 333 . 1 . 1 50 50 GLU C C 13 179.249 0.500 . 1 . . . . . 937 GLU C . 28012 1 334 . 1 . 1 50 50 GLU CA C 13 59.478 0.500 . 1 . . . . . 937 GLU CA . 28012 1 335 . 1 . 1 50 50 GLU CB C 13 28.854 0.500 . 1 . . . . . 937 GLU CB . 28012 1 336 . 1 . 1 50 50 GLU N N 15 121.467 0.500 . 1 . . . . . 937 GLU N . 28012 1 337 . 1 . 1 51 51 MET H H 1 8.027 0.030 . 1 . . . . . 938 MET H . 28012 1 338 . 1 . 1 51 51 MET HA H 1 4.130 0.030 . 1 . . . . . 938 MET HA . 28012 1 339 . 1 . 1 51 51 MET HB2 H 1 2.190 0.030 . 2 . . . . . 938 MET HB2 . 28012 1 340 . 1 . 1 51 51 MET HB3 H 1 2.190 0.030 . 2 . . . . . 938 MET HB3 . 28012 1 341 . 1 . 1 51 51 MET C C 13 178.269 0.500 . 1 . . . . . 938 MET C . 28012 1 342 . 1 . 1 51 51 MET CA C 13 59.116 0.500 . 1 . . . . . 938 MET CA . 28012 1 343 . 1 . 1 51 51 MET CB C 13 32.352 0.500 . 1 . . . . . 938 MET CB . 28012 1 344 . 1 . 1 51 51 MET N N 15 118.532 0.500 . 1 . . . . . 938 MET N . 28012 1 345 . 1 . 1 52 52 SER H H 1 8.570 0.030 . 1 . . . . . 939 SER H . 28012 1 346 . 1 . 1 52 52 SER HA H 1 4.055 0.030 . 1 . . . . . 939 SER HA . 28012 1 347 . 1 . 1 52 52 SER HB2 H 1 3.894 0.030 . 2 . . . . . 939 SER HB2 . 28012 1 348 . 1 . 1 52 52 SER HB3 H 1 3.894 0.030 . 2 . . . . . 939 SER HB3 . 28012 1 349 . 1 . 1 52 52 SER C C 13 175.451 0.500 . 1 . . . . . 939 SER C . 28012 1 350 . 1 . 1 52 52 SER CA C 13 62.325 0.500 . 1 . . . . . 939 SER CA . 28012 1 351 . 1 . 1 52 52 SER CB C 13 62.100 0.500 . 1 . . . . . 939 SER CB . 28012 1 352 . 1 . 1 52 52 SER N N 15 114.240 0.500 . 1 . . . . . 939 SER N . 28012 1 353 . 1 . 1 53 53 SER H H 1 7.844 0.030 . 1 . . . . . 940 SER H . 28012 1 354 . 1 . 1 53 53 SER HA H 1 4.388 0.030 . 1 . . . . . 940 SER HA . 28012 1 355 . 1 . 1 53 53 SER HB2 H 1 4.005 0.030 . 2 . . . . . 940 SER HB2 . 28012 1 356 . 1 . 1 53 53 SER HB3 H 1 4.005 0.030 . 2 . . . . . 940 SER HB3 . 28012 1 357 . 1 . 1 53 53 SER C C 13 175.277 0.500 . 1 . . . . . 940 SER C . 28012 1 358 . 1 . 1 53 53 SER CA C 13 60.324 0.500 . 1 . . . . . 940 SER CA . 28012 1 359 . 1 . 1 53 53 SER CB C 13 63.351 0.500 . 1 . . . . . 940 SER CB . 28012 1 360 . 1 . 1 53 53 SER N N 15 115.319 0.500 . 1 . . . . . 940 SER N . 28012 1 361 . 1 . 1 54 54 LYS H H 1 7.603 0.030 . 1 . . . . . 941 LYS H . 28012 1 362 . 1 . 1 54 54 LYS HA H 1 4.379 0.030 . 1 . . . . . 941 LYS HA . 28012 1 363 . 1 . 1 54 54 LYS HB2 H 1 1.926 0.030 . 2 . . . . . 941 LYS HB2 . 28012 1 364 . 1 . 1 54 54 LYS HB3 H 1 1.830 0.030 . 2 . . . . . 941 LYS HB3 . 28012 1 365 . 1 . 1 54 54 LYS C C 13 177.762 0.500 . 1 . . . . . 941 LYS C . 28012 1 366 . 1 . 1 54 54 LYS CA C 13 56.752 0.500 . 1 . . . . . 941 LYS CA . 28012 1 367 . 1 . 1 54 54 LYS CB C 13 34.040 0.500 . 1 . . . . . 941 LYS CB . 28012 1 368 . 1 . 1 54 54 LYS N N 15 119.633 0.500 . 1 . . . . . 941 LYS N . 28012 1 369 . 1 . 1 55 55 ILE H H 1 7.674 0.030 . 1 . . . . . 942 ILE H . 28012 1 370 . 1 . 1 55 55 ILE HA H 1 3.842 0.030 . 1 . . . . . 942 ILE HA . 28012 1 371 . 1 . 1 55 55 ILE HB H 1 1.918 0.030 . 1 . . . . . 942 ILE HB . 28012 1 372 . 1 . 1 55 55 ILE C C 13 176.654 0.500 . 1 . . . . . 942 ILE C . 28012 1 373 . 1 . 1 55 55 ILE CA C 13 64.268 0.500 . 1 . . . . . 942 ILE CA . 28012 1 374 . 1 . 1 55 55 ILE CB C 13 37.954 0.500 . 1 . . . . . 942 ILE CB . 28012 1 375 . 1 . 1 55 55 ILE N N 15 117.476 0.500 . 1 . . . . . 942 ILE N . 28012 1 376 . 1 . 1 56 56 GLN H H 1 8.541 0.030 . 1 . . . . . 943 GLN H . 28012 1 377 . 1 . 1 56 56 GLN C C 13 176.047 0.500 . 1 . . . . . 943 GLN C . 28012 1 378 . 1 . 1 56 56 GLN CA C 13 61.544 0.500 . 1 . . . . . 943 GLN CA . 28012 1 379 . 1 . 1 56 56 GLN N N 15 119.868 0.500 . 1 . . . . . 943 GLN N . 28012 1 380 . 1 . 1 57 57 PRO HA H 1 4.666 0.030 . 1 . . . . . 944 PRO HA . 28012 1 381 . 1 . 1 57 57 PRO HB2 H 1 2.165 0.030 . 2 . . . . . 944 PRO HB2 . 28012 1 382 . 1 . 1 57 57 PRO HB3 H 1 1.964 0.030 . 2 . . . . . 944 PRO HB3 . 28012 1 383 . 1 . 1 57 57 PRO C C 13 176.974 0.500 . 1 . . . . . 944 PRO C . 28012 1 384 . 1 . 1 57 57 PRO CA C 13 63.436 0.500 . 1 . . . . . 944 PRO CA . 28012 1 385 . 1 . 1 57 57 PRO CB C 13 31.383 0.500 . 1 . . . . . 944 PRO CB . 28012 1 386 . 1 . 1 58 58 ALA H H 1 7.170 0.030 . 1 . . . . . 945 ALA H . 28012 1 387 . 1 . 1 58 58 ALA HB1 H 1 1.586 0.030 . 1 . . . . . 945 ALA HB1 . 28012 1 388 . 1 . 1 58 58 ALA HB2 H 1 1.586 0.030 . 1 . . . . . 945 ALA HB2 . 28012 1 389 . 1 . 1 58 58 ALA HB3 H 1 1.586 0.030 . 1 . . . . . 945 ALA HB3 . 28012 1 390 . 1 . 1 58 58 ALA C C 13 175.388 0.500 . 1 . . . . . 945 ALA C . 28012 1 391 . 1 . 1 58 58 ALA CA C 13 50.989 0.500 . 1 . . . . . 945 ALA CA . 28012 1 392 . 1 . 1 58 58 ALA CB C 13 19.452 0.500 . 1 . . . . . 945 ALA CB . 28012 1 393 . 1 . 1 58 58 ALA N N 15 122.924 0.500 . 1 . . . . . 945 ALA N . 28012 1 394 . 1 . 1 60 60 PRO HA H 1 2.300 0.030 . 1 . . . . . 947 PRO HA . 28012 1 395 . 1 . 1 60 60 PRO HB2 H 1 1.888 0.030 . 2 . . . . . 947 PRO HB2 . 28012 1 396 . 1 . 1 60 60 PRO HB3 H 1 1.763 0.030 . 2 . . . . . 947 PRO HB3 . 28012 1 397 . 1 . 1 60 60 PRO C C 13 177.441 0.500 . 1 . . . . . 947 PRO C . 28012 1 398 . 1 . 1 60 60 PRO CA C 13 64.361 0.500 . 1 . . . . . 947 PRO CA . 28012 1 399 . 1 . 1 60 60 PRO CB C 13 31.299 0.500 . 1 . . . . . 947 PRO CB . 28012 1 400 . 1 . 1 61 61 GLU H H 1 9.238 0.030 . 1 . . . . . 948 GLU H . 28012 1 401 . 1 . 1 61 61 GLU HA H 1 3.967 0.030 . 1 . . . . . 948 GLU HA . 28012 1 402 . 1 . 1 61 61 GLU HB2 H 1 1.945 0.030 . 2 . . . . . 948 GLU HB2 . 28012 1 403 . 1 . 1 61 61 GLU HB3 H 1 1.945 0.030 . 2 . . . . . 948 GLU HB3 . 28012 1 404 . 1 . 1 61 61 GLU C C 13 177.572 0.500 . 1 . . . . . 948 GLU C . 28012 1 405 . 1 . 1 61 61 GLU CA C 13 59.062 0.500 . 1 . . . . . 948 GLU CA . 28012 1 406 . 1 . 1 61 61 GLU CB C 13 28.451 0.500 . 1 . . . . . 948 GLU CB . 28012 1 407 . 1 . 1 61 61 GLU N N 15 116.025 0.500 . 1 . . . . . 948 GLU N . 28012 1 408 . 1 . 1 62 62 GLU H H 1 7.896 0.030 . 1 . . . . . 949 GLU H . 28012 1 409 . 1 . 1 62 62 GLU HA H 1 4.408 0.030 . 1 . . . . . 949 GLU HA . 28012 1 410 . 1 . 1 62 62 GLU HB2 H 1 2.233 0.030 . 2 . . . . . 949 GLU HB2 . 28012 1 411 . 1 . 1 62 62 GLU HB3 H 1 2.233 0.030 . 2 . . . . . 949 GLU HB3 . 28012 1 412 . 1 . 1 62 62 GLU C C 13 177.731 0.500 . 1 . . . . . 949 GLU C . 28012 1 413 . 1 . 1 62 62 GLU CA C 13 56.540 0.500 . 1 . . . . . 949 GLU CA . 28012 1 414 . 1 . 1 62 62 GLU CB C 13 30.721 0.500 . 1 . . . . . 949 GLU CB . 28012 1 415 . 1 . 1 62 62 GLU N N 15 116.343 0.500 . 1 . . . . . 949 GLU N . 28012 1 416 . 1 . 1 63 63 TYR H H 1 7.908 0.030 . 1 . . . . . 950 TYR H . 28012 1 417 . 1 . 1 63 63 TYR HB2 H 1 3.197 0.030 . 2 . . . . . 950 TYR HB2 . 28012 1 418 . 1 . 1 63 63 TYR HB3 H 1 2.813 0.030 . 2 . . . . . 950 TYR HB3 . 28012 1 419 . 1 . 1 63 63 TYR C C 13 177.731 0.500 . 1 . . . . . 950 TYR C . 28012 1 420 . 1 . 1 63 63 TYR CA C 13 56.712 0.500 . 1 . . . . . 950 TYR CA . 28012 1 421 . 1 . 1 63 63 TYR CB C 13 37.701 0.500 . 1 . . . . . 950 TYR CB . 28012 1 422 . 1 . 1 63 63 TYR N N 15 116.667 0.500 . 1 . . . . . 950 TYR N . 28012 1 423 . 1 . 1 65 65 PRO HA H 1 4.264 0.030 . 1 . . . . . 952 PRO HA . 28012 1 424 . 1 . 1 65 65 PRO HB2 H 1 1.859 0.030 . 2 . . . . . 952 PRO HB2 . 28012 1 425 . 1 . 1 65 65 PRO HB3 H 1 1.859 0.030 . 2 . . . . . 952 PRO HB3 . 28012 1 426 . 1 . 1 65 65 PRO C C 13 179.148 0.500 . 1 . . . . . 952 PRO C . 28012 1 427 . 1 . 1 65 65 PRO CA C 13 65.718 0.500 . 1 . . . . . 952 PRO CA . 28012 1 428 . 1 . 1 65 65 PRO CB C 13 30.626 0.500 . 1 . . . . . 952 PRO CB . 28012 1 429 . 1 . 1 66 66 MET H H 1 7.104 0.030 . 1 . . . . . 953 MET H . 28012 1 430 . 1 . 1 66 66 MET C C 13 178.807 0.500 . 1 . . . . . 953 MET C . 28012 1 431 . 1 . 1 66 66 MET CA C 13 59.062 0.500 . 1 . . . . . 953 MET CA . 28012 1 432 . 1 . 1 66 66 MET CB C 13 32.992 0.500 . 1 . . . . . 953 MET CB . 28012 1 433 . 1 . 1 66 66 MET N N 15 114.905 0.500 . 1 . . . . . 953 MET N . 28012 1 434 . 1 . 1 67 67 VAL H H 1 8.189 0.030 . 1 . . . . . 954 VAL H . 28012 1 435 . 1 . 1 67 67 VAL HA H 1 3.555 0.030 . 1 . . . . . 954 VAL HA . 28012 1 436 . 1 . 1 67 67 VAL HB H 1 2.290 0.030 . 1 . . . . . 954 VAL HB . 28012 1 437 . 1 . 1 67 67 VAL C C 13 178.274 0.500 . 1 . . . . . 954 VAL C . 28012 1 438 . 1 . 1 67 67 VAL CA C 13 66.211 0.500 . 1 . . . . . 954 VAL CA . 28012 1 439 . 1 . 1 67 67 VAL CB C 13 31.377 0.500 . 1 . . . . . 954 VAL CB . 28012 1 440 . 1 . 1 67 67 VAL N N 15 120.874 0.500 . 1 . . . . . 954 VAL N . 28012 1 441 . 1 . 1 68 68 LYS H H 1 8.238 0.030 . 1 . . . . . 955 LYS H . 28012 1 442 . 1 . 1 68 68 LYS HA H 1 4.019 0.030 . 1 . . . . . 955 LYS HA . 28012 1 443 . 1 . 1 68 68 LYS HB2 H 1 1.974 0.030 . 2 . . . . . 955 LYS HB2 . 28012 1 444 . 1 . 1 68 68 LYS HB3 H 1 1.916 0.030 . 2 . . . . . 955 LYS HB3 . 28012 1 445 . 1 . 1 68 68 LYS C C 13 179.345 0.500 . 1 . . . . . 955 LYS C . 28012 1 446 . 1 . 1 68 68 LYS CA C 13 59.683 0.500 . 1 . . . . . 955 LYS CA . 28012 1 447 . 1 . 1 68 68 LYS CB C 13 31.423 0.500 . 1 . . . . . 955 LYS CB . 28012 1 448 . 1 . 1 68 68 LYS N N 15 121.624 0.500 . 1 . . . . . 955 LYS N . 28012 1 449 . 1 . 1 69 69 GLU H H 1 7.797 0.030 . 1 . . . . . 956 GLU H . 28012 1 450 . 1 . 1 69 69 GLU HA H 1 4.053 0.030 . 1 . . . . . 956 GLU HA . 28012 1 451 . 1 . 1 69 69 GLU HB2 H 1 2.186 0.030 . 2 . . . . . 956 GLU HB2 . 28012 1 452 . 1 . 1 69 69 GLU HB3 H 1 2.186 0.030 . 2 . . . . . 956 GLU HB3 . 28012 1 453 . 1 . 1 69 69 GLU C C 13 179.694 0.500 . 1 . . . . . 956 GLU C . 28012 1 454 . 1 . 1 69 69 GLU CA C 13 59.369 0.500 . 1 . . . . . 956 GLU CA . 28012 1 455 . 1 . 1 69 69 GLU CB C 13 28.975 0.500 . 1 . . . . . 956 GLU CB . 28012 1 456 . 1 . 1 69 69 GLU N N 15 118.932 0.500 . 1 . . . . . 956 GLU N . 28012 1 457 . 1 . 1 70 70 VAL H H 1 7.688 0.030 . 1 . . . . . 957 VAL H . 28012 1 458 . 1 . 1 70 70 VAL HA H 1 3.469 0.030 . 1 . . . . . 957 VAL HA . 28012 1 459 . 1 . 1 70 70 VAL HB H 1 2.280 0.030 . 1 . . . . . 957 VAL HB . 28012 1 460 . 1 . 1 70 70 VAL C C 13 177.477 0.500 . 1 . . . . . 957 VAL C . 28012 1 461 . 1 . 1 70 70 VAL CA C 13 66.545 0.500 . 1 . . . . . 957 VAL CA . 28012 1 462 . 1 . 1 70 70 VAL CB C 13 31.085 0.500 . 1 . . . . . 957 VAL CB . 28012 1 463 . 1 . 1 70 70 VAL N N 15 121.367 0.500 . 1 . . . . . 957 VAL N . 28012 1 464 . 1 . 1 71 71 GLY H H 1 8.545 0.030 . 1 . . . . . 958 GLY H . 28012 1 465 . 1 . 1 71 71 GLY HA2 H 1 3.986 0.030 . 2 . . . . . 958 GLY HA2 . 28012 1 466 . 1 . 1 71 71 GLY HA3 H 1 3.698 0.030 . 2 . . . . . 958 GLY HA3 . 28012 1 467 . 1 . 1 71 71 GLY C C 13 176.274 0.500 . 1 . . . . . 958 GLY C . 28012 1 468 . 1 . 1 71 71 GLY CA C 13 47.373 0.500 . 1 . . . . . 958 GLY CA . 28012 1 469 . 1 . 1 71 71 GLY N N 15 106.351 0.500 . 1 . . . . . 958 GLY N . 28012 1 470 . 1 . 1 72 72 LEU H H 1 8.254 0.030 . 1 . . . . . 959 LEU H . 28012 1 471 . 1 . 1 72 72 LEU HA H 1 4.110 0.030 . 1 . . . . . 959 LEU HA . 28012 1 472 . 1 . 1 72 72 LEU HB2 H 1 1.763 0.030 . 2 . . . . . 959 LEU HB2 . 28012 1 473 . 1 . 1 72 72 LEU HB3 H 1 1.648 0.030 . 2 . . . . . 959 LEU HB3 . 28012 1 474 . 1 . 1 72 72 LEU C C 13 179.440 0.500 . 1 . . . . . 959 LEU C . 28012 1 475 . 1 . 1 72 72 LEU CA C 13 57.758 0.500 . 1 . . . . . 959 LEU CA . 28012 1 476 . 1 . 1 72 72 LEU CB C 13 41.402 0.500 . 1 . . . . . 959 LEU CB . 28012 1 477 . 1 . 1 72 72 LEU N N 15 123.625 0.500 . 1 . . . . . 959 LEU N . 28012 1 478 . 1 . 1 73 73 ALA H H 1 7.990 0.030 . 1 . . . . . 960 ALA H . 28012 1 479 . 1 . 1 73 73 ALA HA H 1 4.120 0.030 . 1 . . . . . 960 ALA HA . 28012 1 480 . 1 . 1 73 73 ALA HB1 H 1 1.466 0.030 . 1 . . . . . 960 ALA HB1 . 28012 1 481 . 1 . 1 73 73 ALA HB2 H 1 1.466 0.030 . 1 . . . . . 960 ALA HB2 . 28012 1 482 . 1 . 1 73 73 ALA HB3 H 1 1.466 0.030 . 1 . . . . . 960 ALA HB3 . 28012 1 483 . 1 . 1 73 73 ALA C C 13 181.213 0.500 . 1 . . . . . 960 ALA C . 28012 1 484 . 1 . 1 73 73 ALA CA C 13 54.605 0.500 . 1 . . . . . 960 ALA CA . 28012 1 485 . 1 . 1 73 73 ALA CB C 13 17.097 0.500 . 1 . . . . . 960 ALA CB . 28012 1 486 . 1 . 1 73 73 ALA N N 15 123.031 0.500 . 1 . . . . . 960 ALA N . 28012 1 487 . 1 . 1 74 74 LEU H H 1 8.693 0.030 . 1 . . . . . 961 LEU H . 28012 1 488 . 1 . 1 74 74 LEU HA H 1 4.110 0.030 . 1 . . . . . 961 LEU HA . 28012 1 489 . 1 . 1 74 74 LEU HB2 H 1 2.179 0.030 . 2 . . . . . 961 LEU HB2 . 28012 1 490 . 1 . 1 74 74 LEU HB3 H 1 1.524 0.030 . 2 . . . . . 961 LEU HB3 . 28012 1 491 . 1 . 1 74 74 LEU C C 13 177.636 0.500 . 1 . . . . . 961 LEU C . 28012 1 492 . 1 . 1 74 74 LEU CA C 13 57.765 0.500 . 1 . . . . . 961 LEU CA . 28012 1 493 . 1 . 1 74 74 LEU CB C 13 40.795 0.500 . 1 . . . . . 961 LEU CB . 28012 1 494 . 1 . 1 74 74 LEU N N 15 121.198 0.500 . 1 . . . . . 961 LEU N . 28012 1 495 . 1 . 1 75 75 ARG H H 1 8.506 0.030 . 1 . . . . . 962 ARG H . 28012 1 496 . 1 . 1 75 75 ARG HA H 1 3.890 0.030 . 1 . . . . . 962 ARG HA . 28012 1 497 . 1 . 1 75 75 ARG HB2 H 1 2.012 0.030 . 2 . . . . . 962 ARG HB2 . 28012 1 498 . 1 . 1 75 75 ARG HB3 H 1 2.011 0.030 . 2 . . . . . 962 ARG HB3 . 28012 1 499 . 1 . 1 75 75 ARG C C 13 179.567 0.500 . 1 . . . . . 962 ARG C . 28012 1 500 . 1 . 1 75 75 ARG CA C 13 59.943 0.500 . 1 . . . . . 962 ARG CA . 28012 1 501 . 1 . 1 75 75 ARG CB C 13 29.312 0.500 . 1 . . . . . 962 ARG CB . 28012 1 502 . 1 . 1 75 75 ARG N N 15 120.766 0.500 . 1 . . . . . 962 ARG N . 28012 1 503 . 1 . 1 76 76 THR H H 1 8.178 0.030 . 1 . . . . . 963 THR H . 28012 1 504 . 1 . 1 76 76 THR HA H 1 4.156 0.030 . 1 . . . . . 963 THR HA . 28012 1 505 . 1 . 1 76 76 THR C C 13 175.831 0.500 . 1 . . . . . 963 THR C . 28012 1 506 . 1 . 1 76 76 THR CA C 13 66.335 0.500 . 1 . . . . . 963 THR CA . 28012 1 507 . 1 . 1 76 76 THR CB C 13 68.566 0.500 . 1 . . . . . 963 THR CB . 28012 1 508 . 1 . 1 76 76 THR N N 15 116.937 0.500 . 1 . . . . . 963 THR N . 28012 1 509 . 1 . 1 77 77 LEU H H 1 7.685 0.030 . 1 . . . . . 964 LEU H . 28012 1 510 . 1 . 1 77 77 LEU HA H 1 4.197 0.030 . 1 . . . . . 964 LEU HA . 28012 1 511 . 1 . 1 77 77 LEU HB2 H 1 2.360 0.030 . 2 . . . . . 964 LEU HB2 . 28012 1 512 . 1 . 1 77 77 LEU HB3 H 1 1.373 0.030 . 2 . . . . . 964 LEU HB3 . 28012 1 513 . 1 . 1 77 77 LEU C C 13 177.840 0.500 . 1 . . . . . 964 LEU C . 28012 1 514 . 1 . 1 77 77 LEU CA C 13 57.892 0.500 . 1 . . . . . 964 LEU CA . 28012 1 515 . 1 . 1 77 77 LEU CB C 13 40.820 0.500 . 1 . . . . . 964 LEU CB . 28012 1 516 . 1 . 1 77 77 LEU N N 15 122.007 0.500 . 1 . . . . . 964 LEU N . 28012 1 517 . 1 . 1 78 78 LEU H H 1 8.933 0.030 . 1 . . . . . 965 LEU H . 28012 1 518 . 1 . 1 78 78 LEU HA H 1 3.803 0.030 . 1 . . . . . 965 LEU HA . 28012 1 519 . 1 . 1 78 78 LEU HB2 H 1 1.916 0.030 . 2 . . . . . 965 LEU HB2 . 28012 1 520 . 1 . 1 78 78 LEU HB3 H 1 1.591 0.030 . 2 . . . . . 965 LEU HB3 . 28012 1 521 . 1 . 1 78 78 LEU C C 13 178.301 0.500 . 1 . . . . . 965 LEU C . 28012 1 522 . 1 . 1 78 78 LEU CA C 13 58.440 0.500 . 1 . . . . . 965 LEU CA . 28012 1 523 . 1 . 1 78 78 LEU CB C 13 39.950 0.500 . 1 . . . . . 965 LEU CB . 28012 1 524 . 1 . 1 78 78 LEU N N 15 118.231 0.500 . 1 . . . . . 965 LEU N . 28012 1 525 . 1 . 1 79 79 ALA H H 1 7.826 0.030 . 1 . . . . . 966 ALA H . 28012 1 526 . 1 . 1 79 79 ALA HA H 1 4.235 0.030 . 1 . . . . . 966 ALA HA . 28012 1 527 . 1 . 1 79 79 ALA HB1 H 1 1.535 0.030 . 1 . . . . . 966 ALA HB1 . 28012 1 528 . 1 . 1 79 79 ALA HB2 H 1 1.535 0.030 . 1 . . . . . 966 ALA HB2 . 28012 1 529 . 1 . 1 79 79 ALA HB3 H 1 1.535 0.030 . 1 . . . . . 966 ALA HB3 . 28012 1 530 . 1 . 1 79 79 ALA C C 13 180.549 0.500 . 1 . . . . . 966 ALA C . 28012 1 531 . 1 . 1 79 79 ALA CA C 13 54.782 0.500 . 1 . . . . . 966 ALA CA . 28012 1 532 . 1 . 1 79 79 ALA CB C 13 17.726 0.500 . 1 . . . . . 966 ALA CB . 28012 1 533 . 1 . 1 79 79 ALA N N 15 121.306 0.500 . 1 . . . . . 966 ALA N . 28012 1 534 . 1 . 1 80 80 THR H H 1 8.101 0.030 . 1 . . . . . 967 THR H . 28012 1 535 . 1 . 1 80 80 THR HA H 1 3.961 0.030 . 1 . . . . . 967 THR HA . 28012 1 536 . 1 . 1 80 80 THR C C 13 178.016 0.500 . 1 . . . . . 967 THR C . 28012 1 537 . 1 . 1 80 80 THR CA C 13 65.965 0.500 . 1 . . . . . 967 THR CA . 28012 1 538 . 1 . 1 80 80 THR CB C 13 67.893 0.500 . 1 . . . . . 967 THR CB . 28012 1 539 . 1 . 1 80 80 THR N N 15 117.260 0.500 . 1 . . . . . 967 THR N . 28012 1 540 . 1 . 1 81 81 VAL H H 1 8.681 0.030 . 1 . . . . . 968 VAL H . 28012 1 541 . 1 . 1 81 81 VAL HA H 1 3.315 0.030 . 1 . . . . . 968 VAL HA . 28012 1 542 . 1 . 1 81 81 VAL HB H 1 2.234 0.030 . 1 . . . . . 968 VAL HB . 28012 1 543 . 1 . 1 81 81 VAL C C 13 177.644 0.500 . 1 . . . . . 968 VAL C . 28012 1 544 . 1 . 1 81 81 VAL CA C 13 67.538 0.500 . 1 . . . . . 968 VAL CA . 28012 1 545 . 1 . 1 81 81 VAL CB C 13 30.890 0.500 . 1 . . . . . 968 VAL CB . 28012 1 546 . 1 . 1 81 81 VAL N N 15 124.865 0.500 . 1 . . . . . 968 VAL N . 28012 1 547 . 1 . 1 82 82 ASP H H 1 8.435 0.030 . 1 . . . . . 969 ASP H . 28012 1 548 . 1 . 1 82 82 ASP HA H 1 4.407 0.030 . 1 . . . . . 969 ASP HA . 28012 1 549 . 1 . 1 82 82 ASP HB2 H 1 2.906 0.030 . 2 . . . . . 969 ASP HB2 . 28012 1 550 . 1 . 1 82 82 ASP HB3 H 1 2.577 0.030 . 2 . . . . . 969 ASP HB3 . 28012 1 551 . 1 . 1 82 82 ASP C C 13 178.617 0.500 . 1 . . . . . 969 ASP C . 28012 1 552 . 1 . 1 82 82 ASP CA C 13 57.789 0.500 . 1 . . . . . 969 ASP CA . 28012 1 553 . 1 . 1 82 82 ASP CB C 13 39.888 0.500 . 1 . . . . . 969 ASP CB . 28012 1 554 . 1 . 1 82 82 ASP N N 15 122.061 0.500 . 1 . . . . . 969 ASP N . 28012 1 555 . 1 . 1 83 83 GLU H H 1 7.422 0.030 . 1 . . . . . 970 GLU H . 28012 1 556 . 1 . 1 83 83 GLU HA H 1 4.150 0.030 . 1 . . . . . 970 GLU HA . 28012 1 557 . 1 . 1 83 83 GLU HB2 H 1 2.144 0.030 . 2 . . . . . 970 GLU HB2 . 28012 1 558 . 1 . 1 83 83 GLU HB3 H 1 2.144 0.030 . 2 . . . . . 970 GLU HB3 . 28012 1 559 . 1 . 1 83 83 GLU C C 13 177.009 0.500 . 1 . . . . . 970 GLU C . 28012 1 560 . 1 . 1 83 83 GLU CA C 13 57.549 0.500 . 1 . . . . . 970 GLU CA . 28012 1 561 . 1 . 1 83 83 GLU CB C 13 29.796 0.500 . 1 . . . . . 970 GLU CB . 28012 1 562 . 1 . 1 83 83 GLU N N 15 115.642 0.500 . 1 . . . . . 970 GLU N . 28012 1 563 . 1 . 1 84 84 THR H H 1 7.813 0.030 . 1 . . . . . 971 THR H . 28012 1 564 . 1 . 1 84 84 THR HA H 1 4.160 0.030 . 1 . . . . . 971 THR HA . 28012 1 565 . 1 . 1 84 84 THR C C 13 174.660 0.500 . 1 . . . . . 971 THR C . 28012 1 566 . 1 . 1 84 84 THR CA C 13 64.707 0.500 . 1 . . . . . 971 THR CA . 28012 1 567 . 1 . 1 84 84 THR CB C 13 68.986 0.500 . 1 . . . . . 971 THR CB . 28012 1 568 . 1 . 1 84 84 THR N N 15 116.545 0.500 . 1 . . . . . 971 THR N . 28012 1 569 . 1 . 1 85 85 ILE H H 1 7.756 0.030 . 1 . . . . . 972 ILE H . 28012 1 570 . 1 . 1 85 85 ILE HA H 1 3.451 0.030 . 1 . . . . . 972 ILE HA . 28012 1 571 . 1 . 1 85 85 ILE HB H 1 1.725 0.030 . 1 . . . . . 972 ILE HB . 28012 1 572 . 1 . 1 85 85 ILE C C 13 173.678 0.500 . 1 . . . . . 972 ILE C . 28012 1 573 . 1 . 1 85 85 ILE CA C 13 67.809 0.500 . 1 . . . . . 972 ILE CA . 28012 1 574 . 1 . 1 85 85 ILE CB C 13 36.489 0.500 . 1 . . . . . 972 ILE CB . 28012 1 575 . 1 . 1 85 85 ILE N N 15 122.115 0.500 . 1 . . . . . 972 ILE N . 28012 1 576 . 1 . 1 86 86 PRO HA H 1 4.360 0.030 . 1 . . . . . 973 PRO HA . 28012 1 577 . 1 . 1 86 86 PRO HB2 H 1 2.367 0.030 . 2 . . . . . 973 PRO HB2 . 28012 1 578 . 1 . 1 86 86 PRO HB3 H 1 1.677 0.030 . 2 . . . . . 973 PRO HB3 . 28012 1 579 . 1 . 1 86 86 PRO C C 13 177.340 0.500 . 1 . . . . . 973 PRO C . 28012 1 580 . 1 . 1 86 86 PRO CA C 13 64.781 0.500 . 1 . . . . . 973 PRO CA . 28012 1 581 . 1 . 1 86 86 PRO CB C 13 31.047 0.500 . 1 . . . . . 973 PRO CB . 28012 1 582 . 1 . 1 87 87 LEU H H 1 7.797 0.030 . 1 . . . . . 974 LEU H . 28012 1 583 . 1 . 1 87 87 LEU HA H 1 4.321 0.030 . 1 . . . . . 974 LEU HA . 28012 1 584 . 1 . 1 87 87 LEU HB2 H 1 1.957 0.030 . 2 . . . . . 974 LEU HB2 . 28012 1 585 . 1 . 1 87 87 LEU HB3 H 1 1.957 0.030 . 2 . . . . . 974 LEU HB3 . 28012 1 586 . 1 . 1 87 87 LEU C C 13 177.129 0.500 . 1 . . . . . 974 LEU C . 28012 1 587 . 1 . 1 87 87 LEU CA C 13 54.689 0.500 . 1 . . . . . 974 LEU CA . 28012 1 588 . 1 . 1 87 87 LEU CB C 13 41.654 0.500 . 1 . . . . . 974 LEU CB . 28012 1 589 . 1 . 1 87 87 LEU N N 15 115.696 0.500 . 1 . . . . . 974 LEU N . 28012 1 590 . 1 . 1 88 88 LEU H H 1 7.986 0.030 . 1 . . . . . 975 LEU H . 28012 1 591 . 1 . 1 88 88 LEU C C 13 177.224 0.500 . 1 . . . . . 975 LEU C . 28012 1 592 . 1 . 1 88 88 LEU CA C 13 57.801 0.500 . 1 . . . . . 975 LEU CA . 28012 1 593 . 1 . 1 88 88 LEU CB C 13 40.963 0.500 . 1 . . . . . 975 LEU CB . 28012 1 594 . 1 . 1 88 88 LEU N N 15 119.580 0.500 . 1 . . . . . 975 LEU N . 28012 1 595 . 1 . 1 91 91 SER HA H 1 4.138 0.030 . 1 . . . . . 978 SER HA . 28012 1 596 . 1 . 1 91 91 SER C C 13 175.674 0.500 . 1 . . . . . 978 SER C . 28012 1 597 . 1 . 1 91 91 SER CA C 13 60.060 0.500 . 1 . . . . . 978 SER CA . 28012 1 598 . 1 . 1 91 91 SER CB C 13 62.247 0.500 . 1 . . . . . 978 SER CB . 28012 1 599 . 1 . 1 92 92 THR H H 1 8.030 0.030 . 1 . . . . . 979 THR H . 28012 1 600 . 1 . 1 92 92 THR HA H 1 4.617 0.030 . 1 . . . . . 979 THR HA . 28012 1 601 . 1 . 1 92 92 THR C C 13 175.926 0.500 . 1 . . . . . 979 THR C . 28012 1 602 . 1 . 1 92 92 THR CA C 13 62.310 0.500 . 1 . . . . . 979 THR CA . 28012 1 603 . 1 . 1 92 92 THR CB C 13 70.416 0.500 . 1 . . . . . 979 THR CB . 28012 1 604 . 1 . 1 92 92 THR N N 15 112.447 0.500 . 1 . . . . . 979 THR N . 28012 1 605 . 1 . 1 93 93 HIS H H 1 7.513 0.030 . 1 . . . . . 980 HIS H . 28012 1 606 . 1 . 1 93 93 HIS HA H 1 4.180 0.030 . 1 . . . . . 980 HIS HA . 28012 1 607 . 1 . 1 93 93 HIS HB2 H 1 3.171 0.030 . 2 . . . . . 980 HIS HB2 . 28012 1 608 . 1 . 1 93 93 HIS HB3 H 1 3.171 0.030 . 2 . . . . . 980 HIS HB3 . 28012 1 609 . 1 . 1 93 93 HIS C C 13 177.192 0.500 . 1 . . . . . 980 HIS C . 28012 1 610 . 1 . 1 93 93 HIS CA C 13 58.440 0.500 . 1 . . . . . 980 HIS CA . 28012 1 611 . 1 . 1 93 93 HIS CB C 13 30.241 0.500 . 1 . . . . . 980 HIS CB . 28012 1 612 . 1 . 1 93 93 HIS N N 15 120.056 0.500 . 1 . . . . . 980 HIS N . 28012 1 613 . 1 . 1 94 94 ARG H H 1 8.734 0.030 . 1 . . . . . 981 ARG H . 28012 1 614 . 1 . 1 94 94 ARG HA H 1 4.164 0.030 . 1 . . . . . 981 ARG HA . 28012 1 615 . 1 . 1 94 94 ARG HB2 H 1 1.885 0.030 . 2 . . . . . 981 ARG HB2 . 28012 1 616 . 1 . 1 94 94 ARG HB3 H 1 1.885 0.030 . 2 . . . . . 981 ARG HB3 . 28012 1 617 . 1 . 1 94 94 ARG C C 13 178.617 0.500 . 1 . . . . . 981 ARG C . 28012 1 618 . 1 . 1 94 94 ARG CA C 13 59.151 0.500 . 1 . . . . . 981 ARG CA . 28012 1 619 . 1 . 1 94 94 ARG CB C 13 29.143 0.500 . 1 . . . . . 981 ARG CB . 28012 1 620 . 1 . 1 94 94 ARG N N 15 119.310 0.500 . 1 . . . . . 981 ARG N . 28012 1 621 . 1 . 1 95 95 GLU H H 1 8.242 0.030 . 1 . . . . . 982 GLU H . 28012 1 622 . 1 . 1 95 95 GLU HA H 1 4.070 0.030 . 1 . . . . . 982 GLU HA . 28012 1 623 . 1 . 1 95 95 GLU HB2 H 1 2.125 0.030 . 2 . . . . . 982 GLU HB2 . 28012 1 624 . 1 . 1 95 95 GLU HB3 H 1 2.025 0.030 . 2 . . . . . 982 GLU HB3 . 28012 1 625 . 1 . 1 95 95 GLU C C 13 179.599 0.500 . 1 . . . . . 982 GLU C . 28012 1 626 . 1 . 1 95 95 GLU CA C 13 59.642 0.500 . 1 . . . . . 982 GLU CA . 28012 1 627 . 1 . 1 95 95 GLU CB C 13 28.944 0.500 . 1 . . . . . 982 GLU CB . 28012 1 628 . 1 . 1 95 95 GLU N N 15 118.878 0.500 . 1 . . . . . 982 GLU N . 28012 1 629 . 1 . 1 96 96 ILE H H 1 7.668 0.030 . 1 . . . . . 983 ILE H . 28012 1 630 . 1 . 1 96 96 ILE HA H 1 3.510 0.030 . 1 . . . . . 983 ILE HA . 28012 1 631 . 1 . 1 96 96 ILE HB H 1 1.829 0.030 . 1 . . . . . 983 ILE HB . 28012 1 632 . 1 . 1 96 96 ILE C C 13 177.287 0.500 . 1 . . . . . 983 ILE C . 28012 1 633 . 1 . 1 96 96 ILE CA C 13 65.564 0.500 . 1 . . . . . 983 ILE CA . 28012 1 634 . 1 . 1 96 96 ILE CB C 13 37.671 0.500 . 1 . . . . . 983 ILE CB . 28012 1 635 . 1 . 1 96 96 ILE N N 15 120.766 0.500 . 1 . . . . . 983 ILE N . 28012 1 636 . 1 . 1 97 97 GLU H H 1 8.635 0.030 . 1 . . . . . 984 GLU H . 28012 1 637 . 1 . 1 97 97 GLU HA H 1 4.300 0.030 . 1 . . . . . 984 GLU HA . 28012 1 638 . 1 . 1 97 97 GLU HB2 H 1 2.196 0.030 . 2 . . . . . 984 GLU HB2 . 28012 1 639 . 1 . 1 97 97 GLU HB3 H 1 2.083 0.030 . 2 . . . . . 984 GLU HB3 . 28012 1 640 . 1 . 1 97 97 GLU C C 13 180.264 0.500 . 1 . . . . . 984 GLU C . 28012 1 641 . 1 . 1 97 97 GLU CA C 13 59.116 0.500 . 1 . . . . . 984 GLU CA . 28012 1 642 . 1 . 1 97 97 GLU CB C 13 29.143 0.500 . 1 . . . . . 984 GLU CB . 28012 1 643 . 1 . 1 97 97 GLU N N 15 120.820 0.500 . 1 . . . . . 984 GLU N . 28012 1 644 . 1 . 1 98 98 MET H H 1 8.322 0.030 . 1 . . . . . 985 MET H . 28012 1 645 . 1 . 1 98 98 MET HA H 1 4.175 0.030 . 1 . . . . . 985 MET HA . 28012 1 646 . 1 . 1 98 98 MET HB2 H 1 2.156 0.030 . 2 . . . . . 985 MET HB2 . 28012 1 647 . 1 . 1 98 98 MET HB3 H 1 2.156 0.030 . 2 . . . . . 985 MET HB3 . 28012 1 648 . 1 . 1 98 98 MET C C 13 178.491 0.500 . 1 . . . . . 985 MET C . 28012 1 649 . 1 . 1 98 98 MET CA C 13 58.531 0.500 . 1 . . . . . 985 MET CA . 28012 1 650 . 1 . 1 98 98 MET CB C 13 32.098 0.500 . 1 . . . . . 985 MET CB . 28012 1 651 . 1 . 1 98 98 MET N N 15 118.015 0.500 . 1 . . . . . 985 MET N . 28012 1 652 . 1 . 1 99 99 ALA H H 1 7.709 0.030 . 1 . . . . . 986 ALA H . 28012 1 653 . 1 . 1 99 99 ALA HA H 1 4.191 0.030 . 1 . . . . . 986 ALA HA . 28012 1 654 . 1 . 1 99 99 ALA HB1 H 1 1.586 0.030 . 1 . . . . . 986 ALA HB1 . 28012 1 655 . 1 . 1 99 99 ALA HB2 H 1 1.586 0.030 . 1 . . . . . 986 ALA HB2 . 28012 1 656 . 1 . 1 99 99 ALA HB3 H 1 1.586 0.030 . 1 . . . . . 986 ALA HB3 . 28012 1 657 . 1 . 1 99 99 ALA C C 13 180.549 0.500 . 1 . . . . . 986 ALA C . 28012 1 658 . 1 . 1 99 99 ALA CA C 13 54.605 0.500 . 1 . . . . . 986 ALA CA . 28012 1 659 . 1 . 1 99 99 ALA CB C 13 18.562 0.500 . 1 . . . . . 986 ALA CB . 28012 1 660 . 1 . 1 99 99 ALA N N 15 123.193 0.500 . 1 . . . . . 986 ALA N . 28012 1 661 . 1 . 1 100 100 GLN H H 1 8.535 0.030 . 1 . . . . . 987 GLN H . 28012 1 662 . 1 . 1 100 100 GLN HA H 1 3.819 0.030 . 1 . . . . . 987 GLN HA . 28012 1 663 . 1 . 1 100 100 GLN HB2 H 1 2.449 0.030 . 2 . . . . . 987 GLN HB2 . 28012 1 664 . 1 . 1 100 100 GLN HB3 H 1 2.083 0.030 . 2 . . . . . 987 GLN HB3 . 28012 1 665 . 1 . 1 100 100 GLN C C 13 177.794 0.500 . 1 . . . . . 987 GLN C . 28012 1 666 . 1 . 1 100 100 GLN CA C 13 59.724 0.500 . 1 . . . . . 987 GLN CA . 28012 1 667 . 1 . 1 100 100 GLN CB C 13 30.325 0.500 . 1 . . . . . 987 GLN CB . 28012 1 668 . 1 . 1 100 100 GLN N N 15 118.285 0.500 . 1 . . . . . 987 GLN N . 28012 1 669 . 1 . 1 101 101 LYS H H 1 8.103 0.030 . 1 . . . . . 988 LYS H . 28012 1 670 . 1 . 1 101 101 LYS HA H 1 4.033 0.030 . 1 . . . . . 988 LYS HA . 28012 1 671 . 1 . 1 101 101 LYS HB2 H 1 1.953 0.030 . 2 . . . . . 988 LYS HB2 . 28012 1 672 . 1 . 1 101 101 LYS HB3 H 1 1.953 0.030 . 2 . . . . . 988 LYS HB3 . 28012 1 673 . 1 . 1 101 101 LYS C C 13 179.686 0.500 . 1 . . . . . 988 LYS C . 28012 1 674 . 1 . 1 101 101 LYS CA C 13 59.642 0.500 . 1 . . . . . 988 LYS CA . 28012 1 675 . 1 . 1 101 101 LYS CB C 13 31.983 0.500 . 1 . . . . . 988 LYS CB . 28012 1 676 . 1 . 1 101 101 LYS N N 15 119.553 0.500 . 1 . . . . . 988 LYS N . 28012 1 677 . 1 . 1 102 102 LEU H H 1 7.873 0.030 . 1 . . . . . 989 LEU H . 28012 1 678 . 1 . 1 102 102 LEU HA H 1 4.117 0.030 . 1 . . . . . 989 LEU HA . 28012 1 679 . 1 . 1 102 102 LEU HB2 H 1 1.800 0.030 . 2 . . . . . 989 LEU HB2 . 28012 1 680 . 1 . 1 102 102 LEU HB3 H 1 1.649 0.030 . 2 . . . . . 989 LEU HB3 . 28012 1 681 . 1 . 1 102 102 LEU C C 13 178.522 0.500 . 1 . . . . . 989 LEU C . 28012 1 682 . 1 . 1 102 102 LEU CA C 13 57.945 0.500 . 1 . . . . . 989 LEU CA . 28012 1 683 . 1 . 1 102 102 LEU CB C 13 41.611 0.500 . 1 . . . . . 989 LEU CB . 28012 1 684 . 1 . 1 102 102 LEU N N 15 121.252 0.500 . 1 . . . . . 989 LEU N . 28012 1 685 . 1 . 1 103 103 LEU H H 1 7.539 0.030 . 1 . . . . . 990 LEU H . 28012 1 686 . 1 . 1 103 103 LEU HA H 1 4.154 0.030 . 1 . . . . . 990 LEU HA . 28012 1 687 . 1 . 1 103 103 LEU HB2 H 1 2.029 0.030 . 2 . . . . . 990 LEU HB2 . 28012 1 688 . 1 . 1 103 103 LEU HB3 H 1 1.547 0.030 . 2 . . . . . 990 LEU HB3 . 28012 1 689 . 1 . 1 103 103 LEU C C 13 178.807 0.500 . 1 . . . . . 990 LEU C . 28012 1 690 . 1 . 1 103 103 LEU CA C 13 58.068 0.500 . 1 . . . . . 990 LEU CA . 28012 1 691 . 1 . 1 103 103 LEU CB C 13 41.222 0.500 . 1 . . . . . 990 LEU CB . 28012 1 692 . 1 . 1 103 103 LEU N N 15 117.692 0.500 . 1 . . . . . 990 LEU N . 28012 1 693 . 1 . 1 105 105 SER HA H 1 4.253 0.030 . 1 . . . . . 992 SER HA . 28012 1 694 . 1 . 1 105 105 SER HB2 H 1 4.049 0.030 . 2 . . . . . 992 SER HB2 . 28012 1 695 . 1 . 1 105 105 SER HB3 H 1 4.049 0.030 . 2 . . . . . 992 SER HB3 . 28012 1 696 . 1 . 1 105 105 SER C C 13 177.055 0.500 . 1 . . . . . 992 SER C . 28012 1 697 . 1 . 1 105 105 SER CA C 13 61.862 0.500 . 1 . . . . . 992 SER CA . 28012 1 698 . 1 . 1 105 105 SER CB C 13 61.862 0.500 . 1 . . . . . 992 SER CB . 28012 1 699 . 1 . 1 106 106 ASP H H 1 8.881 0.030 . 1 . . . . . 993 ASP H . 28012 1 700 . 1 . 1 106 106 ASP HA H 1 4.416 0.030 . 1 . . . . . 993 ASP HA . 28012 1 701 . 1 . 1 106 106 ASP HB2 H 1 3.250 0.030 . 2 . . . . . 993 ASP HB2 . 28012 1 702 . 1 . 1 106 106 ASP HB3 H 1 2.592 0.030 . 2 . . . . . 993 ASP HB3 . 28012 1 703 . 1 . 1 106 106 ASP C C 13 178.744 0.500 . 1 . . . . . 993 ASP C . 28012 1 704 . 1 . 1 106 106 ASP CA C 13 55.867 0.500 . 1 . . . . . 993 ASP CA . 28012 1 705 . 1 . 1 106 106 ASP CB C 13 38.290 0.500 . 1 . . . . . 993 ASP CB . 28012 1 706 . 1 . 1 106 106 ASP N N 15 123.085 0.500 . 1 . . . . . 993 ASP N . 28012 1 707 . 1 . 1 107 107 LEU H H 1 8.260 0.030 . 1 . . . . . 994 LEU H . 28012 1 708 . 1 . 1 107 107 LEU HA H 1 4.049 0.030 . 1 . . . . . 994 LEU HA . 28012 1 709 . 1 . 1 107 107 LEU HB2 H 1 2.036 0.030 . 2 . . . . . 994 LEU HB2 . 28012 1 710 . 1 . 1 107 107 LEU HB3 H 1 1.480 0.030 . 2 . . . . . 994 LEU HB3 . 28012 1 711 . 1 . 1 107 107 LEU C C 13 177.921 0.500 . 1 . . . . . 994 LEU C . 28012 1 712 . 1 . 1 107 107 LEU CA C 13 57.765 0.500 . 1 . . . . . 994 LEU CA . 28012 1 713 . 1 . 1 107 107 LEU CB C 13 40.288 0.500 . 1 . . . . . 994 LEU CB . 28012 1 714 . 1 . 1 107 107 LEU N N 15 121.953 0.500 . 1 . . . . . 994 LEU N . 28012 1 715 . 1 . 1 108 108 GLY H H 1 8.042 0.030 . 1 . . . . . 995 GLY H . 28012 1 716 . 1 . 1 108 108 GLY HA2 H 1 3.966 0.030 . 2 . . . . . 995 GLY HA2 . 28012 1 717 . 1 . 1 108 108 GLY HA3 H 1 3.730 0.030 . 2 . . . . . 995 GLY HA3 . 28012 1 718 . 1 . 1 108 108 GLY C C 13 176.369 0.500 . 1 . . . . . 995 GLY C . 28012 1 719 . 1 . 1 108 108 GLY CA C 13 47.189 0.500 . 1 . . . . . 995 GLY CA . 28012 1 720 . 1 . 1 108 108 GLY N N 15 106.091 0.500 . 1 . . . . . 995 GLY N . 28012 1 721 . 1 . 1 109 109 GLU H H 1 7.995 0.030 . 1 . . . . . 996 GLU H . 28012 1 722 . 1 . 1 109 109 GLU HA H 1 4.326 0.030 . 1 . . . . . 996 GLU HA . 28012 1 723 . 1 . 1 109 109 GLU HB2 H 1 2.193 0.030 . 2 . . . . . 996 GLU HB2 . 28012 1 724 . 1 . 1 109 109 GLU HB3 H 1 2.072 0.030 . 2 . . . . . 996 GLU HB3 . 28012 1 725 . 1 . 1 109 109 GLU C C 13 177.984 0.500 . 1 . . . . . 996 GLU C . 28012 1 726 . 1 . 1 109 109 GLU CA C 13 58.477 0.500 . 1 . . . . . 996 GLU CA . 28012 1 727 . 1 . 1 109 109 GLU CB C 13 28.975 0.500 . 1 . . . . . 996 GLU CB . 28012 1 728 . 1 . 1 109 109 GLU N N 15 122.029 0.500 . 1 . . . . . 996 GLU N . 28012 1 729 . 1 . 1 110 110 LEU H H 1 7.896 0.030 . 1 . . . . . 997 LEU H . 28012 1 730 . 1 . 1 110 110 LEU HA H 1 3.905 0.030 . 1 . . . . . 997 LEU HA . 28012 1 731 . 1 . 1 110 110 LEU HB2 H 1 2.370 0.030 . 2 . . . . . 997 LEU HB2 . 28012 1 732 . 1 . 1 110 110 LEU HB3 H 1 2.370 0.030 . 2 . . . . . 997 LEU HB3 . 28012 1 733 . 1 . 1 110 110 LEU C C 13 177.826 0.500 . 1 . . . . . 997 LEU C . 28012 1 734 . 1 . 1 110 110 LEU CA C 13 59.025 0.500 . 1 . . . . . 997 LEU CA . 28012 1 735 . 1 . 1 110 110 LEU CB C 13 41.470 0.500 . 1 . . . . . 997 LEU CB . 28012 1 736 . 1 . 1 110 110 LEU N N 15 120.874 0.500 . 1 . . . . . 997 LEU N . 28012 1 737 . 1 . 1 111 111 ILE H H 1 8.525 0.030 . 1 . . . . . 998 ILE H . 28012 1 738 . 1 . 1 111 111 ILE HA H 1 3.629 0.030 . 1 . . . . . 998 ILE HA . 28012 1 739 . 1 . 1 111 111 ILE HB H 1 1.371 0.030 . 1 . . . . . 998 ILE HB . 28012 1 740 . 1 . 1 111 111 ILE C C 13 177.826 0.500 . 1 . . . . . 998 ILE C . 28012 1 741 . 1 . 1 111 111 ILE CA C 13 65.101 0.500 . 1 . . . . . 998 ILE CA . 28012 1 742 . 1 . 1 111 111 ILE CB C 13 37.281 0.500 . 1 . . . . . 998 ILE CB . 28012 1 743 . 1 . 1 111 111 ILE N N 15 118.492 0.500 . 1 . . . . . 998 ILE N . 28012 1 744 . 1 . 1 112 112 ASN H H 1 8.265 0.030 . 1 . . . . . 999 ASN H . 28012 1 745 . 1 . 1 112 112 ASN HA H 1 4.413 0.030 . 1 . . . . . 999 ASN HA . 28012 1 746 . 1 . 1 112 112 ASN HB2 H 1 3.007 0.030 . 2 . . . . . 999 ASN HB2 . 28012 1 747 . 1 . 1 112 112 ASN HB3 H 1 2.855 0.030 . 2 . . . . . 999 ASN HB3 . 28012 1 748 . 1 . 1 112 112 ASN C C 13 178.554 0.500 . 1 . . . . . 999 ASN C . 28012 1 749 . 1 . 1 112 112 ASN CA C 13 56.161 0.500 . 1 . . . . . 999 ASN CA . 28012 1 750 . 1 . 1 112 112 ASN CB C 13 37.924 0.500 . 1 . . . . . 999 ASN CB . 28012 1 751 . 1 . 1 112 112 ASN N N 15 118.932 0.500 . 1 . . . . . 999 ASN N . 28012 1 752 . 1 . 1 113 113 LYS H H 1 8.488 0.030 . 1 . . . . . 1000 LYS H . 28012 1 753 . 1 . 1 113 113 LYS HA H 1 4.117 0.030 . 1 . . . . . 1000 LYS HA . 28012 1 754 . 1 . 1 113 113 LYS HB2 H 1 1.994 0.030 . 2 . . . . . 1000 LYS HB2 . 28012 1 755 . 1 . 1 113 113 LYS HB3 H 1 1.994 0.030 . 2 . . . . . 1000 LYS HB3 . 28012 1 756 . 1 . 1 113 113 LYS C C 13 178.016 0.500 . 1 . . . . . 1000 LYS C . 28012 1 757 . 1 . 1 113 113 LYS CA C 13 57.296 0.500 . 1 . . . . . 1000 LYS CA . 28012 1 758 . 1 . 1 113 113 LYS CB C 13 30.805 0.500 . 1 . . . . . 1000 LYS CB . 28012 1 759 . 1 . 1 113 113 LYS N N 15 117.260 0.500 . 1 . . . . . 1000 LYS N . 28012 1 760 . 1 . 1 114 114 MET H H 1 8.500 0.030 . 1 . . . . . 1001 MET H . 28012 1 761 . 1 . 1 114 114 MET HA H 1 4.429 0.030 . 1 . . . . . 1001 MET HA . 28012 1 762 . 1 . 1 114 114 MET C C 13 177.929 0.500 . 1 . . . . . 1001 MET C . 28012 1 763 . 1 . 1 114 114 MET CA C 13 59.642 0.500 . 1 . . . . . 1001 MET CA . 28012 1 764 . 1 . 1 114 114 MET CB C 13 33.365 0.500 . 1 . . . . . 1001 MET CB . 28012 1 765 . 1 . 1 114 114 MET N N 15 122.115 0.500 . 1 . . . . . 1001 MET N . 28012 1 766 . 1 . 1 115 115 LYS HA H 1 4.089 0.030 . 1 . . . . . 1002 LYS HA . 28012 1 767 . 1 . 1 115 115 LYS HB2 H 1 1.998 0.030 . 2 . . . . . 1002 LYS HB2 . 28012 1 768 . 1 . 1 115 115 LYS HB3 H 1 1.813 0.030 . 2 . . . . . 1002 LYS HB3 . 28012 1 769 . 1 . 1 115 115 LYS C C 13 180.164 0.500 . 1 . . . . . 1002 LYS C . 28012 1 770 . 1 . 1 115 115 LYS CA C 13 59.493 0.500 . 1 . . . . . 1002 LYS CA . 28012 1 771 . 1 . 1 115 115 LYS CB C 13 31.803 0.500 . 1 . . . . . 1002 LYS CB . 28012 1 772 . 1 . 1 116 116 LEU H H 1 7.527 0.030 . 1 . . . . . 1003 LEU H . 28012 1 773 . 1 . 1 116 116 LEU HA H 1 3.964 0.030 . 1 . . . . . 1003 LEU HA . 28012 1 774 . 1 . 1 116 116 LEU C C 13 178.174 0.500 . 1 . . . . . 1003 LEU C . 28012 1 775 . 1 . 1 116 116 LEU CA C 13 57.765 0.500 . 1 . . . . . 1003 LEU CA . 28012 1 776 . 1 . 1 116 116 LEU CB C 13 40.457 0.500 . 1 . . . . . 1003 LEU CB . 28012 1 777 . 1 . 1 116 116 LEU N N 15 120.820 0.500 . 1 . . . . . 1003 LEU N . 28012 1 778 . 1 . 1 117 117 ALA H H 1 8.355 0.030 . 1 . . . . . 1004 ALA H . 28012 1 779 . 1 . 1 117 117 ALA HA H 1 3.988 0.030 . 1 . . . . . 1004 ALA HA . 28012 1 780 . 1 . 1 117 117 ALA HB1 H 1 1.553 0.030 . 1 . . . . . 1004 ALA HB1 . 28012 1 781 . 1 . 1 117 117 ALA HB2 H 1 1.553 0.030 . 1 . . . . . 1004 ALA HB2 . 28012 1 782 . 1 . 1 117 117 ALA HB3 H 1 1.553 0.030 . 1 . . . . . 1004 ALA HB3 . 28012 1 783 . 1 . 1 117 117 ALA C C 13 179.470 0.500 . 1 . . . . . 1004 ALA C . 28012 1 784 . 1 . 1 117 117 ALA CA C 13 55.699 0.500 . 1 . . . . . 1004 ALA CA . 28012 1 785 . 1 . 1 117 117 ALA CB C 13 17.686 0.500 . 1 . . . . . 1004 ALA CB . 28012 1 786 . 1 . 1 117 117 ALA N N 15 121.583 0.500 . 1 . . . . . 1004 ALA N . 28012 1 787 . 1 . 1 118 118 GLN H H 1 8.095 0.030 . 1 . . . . . 1005 GLN H . 28012 1 788 . 1 . 1 118 118 GLN C C 13 178.364 0.500 . 1 . . . . . 1005 GLN C . 28012 1 789 . 1 . 1 118 118 GLN CA C 13 58.428 0.500 . 1 . . . . . 1005 GLN CA . 28012 1 790 . 1 . 1 118 118 GLN CB C 13 29.460 0.500 . 1 . . . . . 1005 GLN CB . 28012 1 791 . 1 . 1 118 118 GLN N N 15 114.078 0.500 . 1 . . . . . 1005 GLN N . 28012 1 792 . 1 . 1 119 119 GLN H H 1 7.965 0.030 . 1 . . . . . 1006 GLN H . 28012 1 793 . 1 . 1 119 119 GLN HA H 1 3.964 0.030 . 1 . . . . . 1006 GLN HA . 28012 1 794 . 1 . 1 119 119 GLN HB2 H 1 2.012 0.030 . 2 . . . . . 1006 GLN HB2 . 28012 1 795 . 1 . 1 119 119 GLN HB3 H 1 1.823 0.030 . 2 . . . . . 1006 GLN HB3 . 28012 1 796 . 1 . 1 119 119 GLN C C 13 177.157 0.500 . 1 . . . . . 1006 GLN C . 28012 1 797 . 1 . 1 119 119 GLN CA C 13 57.773 0.500 . 1 . . . . . 1006 GLN CA . 28012 1 798 . 1 . 1 119 119 GLN CB C 13 28.692 0.500 . 1 . . . . . 1006 GLN CB . 28012 1 799 . 1 . 1 119 119 GLN N N 15 119.486 0.500 . 1 . . . . . 1006 GLN N . 28012 1 800 . 1 . 1 120 120 TYR H H 1 7.783 0.030 . 1 . . . . . 1007 TYR H . 28012 1 801 . 1 . 1 120 120 TYR HA H 1 4.626 0.030 . 1 . . . . . 1007 TYR HA . 28012 1 802 . 1 . 1 120 120 TYR HB2 H 1 3.297 0.030 . 2 . . . . . 1007 TYR HB2 . 28012 1 803 . 1 . 1 120 120 TYR HB3 H 1 2.601 0.030 . 2 . . . . . 1007 TYR HB3 . 28012 1 804 . 1 . 1 120 120 TYR C C 13 175.958 0.500 . 1 . . . . . 1007 TYR C . 28012 1 805 . 1 . 1 120 120 TYR CA C 13 58.168 0.500 . 1 . . . . . 1007 TYR CA . 28012 1 806 . 1 . 1 120 120 TYR CB C 13 37.113 0.500 . 1 . . . . . 1007 TYR CB . 28012 1 807 . 1 . 1 120 120 TYR N N 15 116.113 0.500 . 1 . . . . . 1007 TYR N . 28012 1 808 . 1 . 1 121 121 VAL H H 1 7.222 0.030 . 1 . . . . . 1008 VAL H . 28012 1 809 . 1 . 1 121 121 VAL HA H 1 4.047 0.030 . 1 . . . . . 1008 VAL HA . 28012 1 810 . 1 . 1 121 121 VAL HB H 1 2.381 0.030 . 1 . . . . . 1008 VAL HB . 28012 1 811 . 1 . 1 121 121 VAL C C 13 174.913 0.500 . 1 . . . . . 1008 VAL C . 28012 1 812 . 1 . 1 121 121 VAL CA C 13 63.422 0.500 . 1 . . . . . 1008 VAL CA . 28012 1 813 . 1 . 1 121 121 VAL CB C 13 31.930 0.500 . 1 . . . . . 1008 VAL CB . 28012 1 814 . 1 . 1 121 121 VAL N N 15 120.550 0.500 . 1 . . . . . 1008 VAL N . 28012 1 815 . 1 . 1 122 122 MET H H 1 8.505 0.030 . 1 . . . . . 1009 MET H . 28012 1 816 . 1 . 1 122 122 MET C C 13 178.254 0.500 . 1 . . . . . 1009 MET C . 28012 1 817 . 1 . 1 122 122 MET CA C 13 55.953 0.500 . 1 . . . . . 1009 MET CA . 28012 1 818 . 1 . 1 122 122 MET CB C 13 30.367 0.500 . 1 . . . . . 1009 MET CB . 28012 1 819 . 1 . 1 122 122 MET N N 15 118.099 0.500 . 1 . . . . . 1009 MET N . 28012 1 820 . 1 . 1 126 126 GLN H H 1 7.773 0.030 . 1 . . . . . 1013 GLN H . 28012 1 821 . 1 . 1 126 126 GLN HA H 1 3.964 0.030 . 1 . . . . . 1013 GLN HA . 28012 1 822 . 1 . 1 126 126 GLN HB2 H 1 2.302 0.030 . 2 . . . . . 1013 GLN HB2 . 28012 1 823 . 1 . 1 126 126 GLN HB3 H 1 2.302 0.030 . 2 . . . . . 1013 GLN HB3 . 28012 1 824 . 1 . 1 126 126 GLN C C 13 178.047 0.500 . 1 . . . . . 1013 GLN C . 28012 1 825 . 1 . 1 126 126 GLN CA C 13 60.241 0.500 . 1 . . . . . 1013 GLN CA . 28012 1 826 . 1 . 1 126 126 GLN CB C 13 27.946 0.500 . 1 . . . . . 1013 GLN CB . 28012 1 827 . 1 . 1 126 126 GLN N N 15 119.727 0.500 . 1 . . . . . 1013 GLN N . 28012 1 828 . 1 . 1 127 127 GLN H H 1 8.207 0.030 . 1 . . . . . 1014 GLN H . 28012 1 829 . 1 . 1 127 127 GLN HA H 1 4.025 0.030 . 1 . . . . . 1014 GLN HA . 28012 1 830 . 1 . 1 127 127 GLN HB2 H 1 2.192 0.030 . 2 . . . . . 1014 GLN HB2 . 28012 1 831 . 1 . 1 127 127 GLN HB3 H 1 2.192 0.030 . 2 . . . . . 1014 GLN HB3 . 28012 1 832 . 1 . 1 127 127 GLN C C 13 178.301 0.500 . 1 . . . . . 1014 GLN C . 28012 1 833 . 1 . 1 127 127 GLN CA C 13 58.474 0.500 . 1 . . . . . 1014 GLN CA . 28012 1 834 . 1 . 1 127 127 GLN CB C 13 28.019 0.500 . 1 . . . . . 1014 GLN CB . 28012 1 835 . 1 . 1 127 127 GLN N N 15 115.966 0.500 . 1 . . . . . 1014 GLN N . 28012 1 836 . 1 . 1 128 128 GLU H H 1 7.416 0.030 . 1 . . . . . 1015 GLU H . 28012 1 837 . 1 . 1 128 128 GLU HA H 1 4.043 0.030 . 1 . . . . . 1015 GLU HA . 28012 1 838 . 1 . 1 128 128 GLU HB2 H 1 1.890 0.030 . 2 . . . . . 1015 GLU HB2 . 28012 1 839 . 1 . 1 128 128 GLU HB3 H 1 1.675 0.030 . 2 . . . . . 1015 GLU HB3 . 28012 1 840 . 1 . 1 128 128 GLU C C 13 178.879 0.500 . 1 . . . . . 1015 GLU C . 28012 1 841 . 1 . 1 128 128 GLU CA C 13 58.271 0.500 . 1 . . . . . 1015 GLU CA . 28012 1 842 . 1 . 1 128 128 GLU CB C 13 28.215 0.500 . 1 . . . . . 1015 GLU CB . 28012 1 843 . 1 . 1 128 128 GLU N N 15 120.604 0.500 . 1 . . . . . 1015 GLU N . 28012 1 844 . 1 . 1 129 129 TYR H H 1 7.867 0.030 . 1 . . . . . 1016 TYR H . 28012 1 845 . 1 . 1 129 129 TYR HA H 1 4.006 0.030 . 1 . . . . . 1016 TYR HA . 28012 1 846 . 1 . 1 129 129 TYR HB2 H 1 3.199 0.030 . 2 . . . . . 1016 TYR HB2 . 28012 1 847 . 1 . 1 129 129 TYR HB3 H 1 2.615 0.030 . 2 . . . . . 1016 TYR HB3 . 28012 1 848 . 1 . 1 129 129 TYR C C 13 178.807 0.500 . 1 . . . . . 1016 TYR C . 28012 1 849 . 1 . 1 129 129 TYR CA C 13 62.140 0.500 . 1 . . . . . 1016 TYR CA . 28012 1 850 . 1 . 1 129 129 TYR CB C 13 37.029 0.500 . 1 . . . . . 1016 TYR CB . 28012 1 851 . 1 . 1 129 129 TYR N N 15 117.422 0.500 . 1 . . . . . 1016 TYR N . 28012 1 852 . 1 . 1 130 130 LYS H H 1 8.365 0.030 . 1 . . . . . 1017 LYS H . 28012 1 853 . 1 . 1 130 130 LYS C C 13 178.498 0.500 . 1 . . . . . 1017 LYS C . 28012 1 854 . 1 . 1 130 130 LYS CA C 13 60.408 0.500 . 1 . . . . . 1017 LYS CA . 28012 1 855 . 1 . 1 130 130 LYS CB C 13 32.824 0.500 . 1 . . . . . 1017 LYS CB . 28012 1 856 . 1 . 1 130 130 LYS N N 15 121.662 0.500 . 1 . . . . . 1017 LYS N . 28012 1 857 . 1 . 1 131 131 LYS HA H 1 3.933 0.030 . 1 . . . . . 1018 LYS HA . 28012 1 858 . 1 . 1 131 131 LYS HB2 H 1 2.007 0.030 . 2 . . . . . 1018 LYS HB2 . 28012 1 859 . 1 . 1 131 131 LYS HB3 H 1 2.007 0.030 . 2 . . . . . 1018 LYS HB3 . 28012 1 860 . 1 . 1 131 131 LYS C C 13 179.514 0.500 . 1 . . . . . 1018 LYS C . 28012 1 861 . 1 . 1 131 131 LYS CA C 13 59.903 0.500 . 1 . . . . . 1018 LYS CA . 28012 1 862 . 1 . 1 131 131 LYS CB C 13 31.215 0.500 . 1 . . . . . 1018 LYS CB . 28012 1 863 . 1 . 1 132 132 GLN H H 1 7.896 0.030 . 1 . . . . . 1019 GLN H . 28012 1 864 . 1 . 1 132 132 GLN C C 13 179.852 0.500 . 1 . . . . . 1019 GLN C . 28012 1 865 . 1 . 1 132 132 GLN CA C 13 59.031 0.500 . 1 . . . . . 1019 GLN CA . 28012 1 866 . 1 . 1 132 132 GLN CB C 13 27.708 0.500 . 1 . . . . . 1019 GLN CB . 28012 1 867 . 1 . 1 132 132 GLN N N 15 118.285 0.500 . 1 . . . . . 1019 GLN N . 28012 1 868 . 1 . 1 133 133 MET H H 1 8.488 0.030 . 1 . . . . . 1020 MET H . 28012 1 869 . 1 . 1 133 133 MET C C 13 177.458 0.500 . 1 . . . . . 1020 MET C . 28012 1 870 . 1 . 1 133 133 MET CA C 13 59.622 0.500 . 1 . . . . . 1020 MET CA . 28012 1 871 . 1 . 1 133 133 MET CB C 13 33.365 0.500 . 1 . . . . . 1020 MET CB . 28012 1 872 . 1 . 1 133 133 MET N N 15 121.845 0.500 . 1 . . . . . 1020 MET N . 28012 1 873 . 1 . 1 134 134 LEU HB2 H 1 2.218 0.030 . 2 . . . . . 1021 LEU HB2 . 28012 1 874 . 1 . 1 134 134 LEU HB3 H 1 1.575 0.030 . 2 . . . . . 1021 LEU HB3 . 28012 1 875 . 1 . 1 134 134 LEU C C 13 179.748 0.500 . 1 . . . . . 1021 LEU C . 28012 1 876 . 1 . 1 134 134 LEU CA C 13 58.807 0.500 . 1 . . . . . 1021 LEU CA . 28012 1 877 . 1 . 1 134 134 LEU CB C 13 40.963 0.500 . 1 . . . . . 1021 LEU CB . 28012 1 878 . 1 . 1 135 135 THR H H 1 8.308 0.030 . 1 . . . . . 1022 THR H . 28012 1 879 . 1 . 1 135 135 THR HA H 1 3.970 0.030 . 1 . . . . . 1022 THR HA . 28012 1 880 . 1 . 1 135 135 THR C C 13 176.623 0.500 . 1 . . . . . 1022 THR C . 28012 1 881 . 1 . 1 135 135 THR CA C 13 66.582 0.500 . 1 . . . . . 1022 THR CA . 28012 1 882 . 1 . 1 135 135 THR CB C 13 68.403 0.500 . 1 . . . . . 1022 THR CB . 28012 1 883 . 1 . 1 135 135 THR N N 15 117.822 0.500 . 1 . . . . . 1022 THR N . 28012 1 884 . 1 . 1 136 136 ALA H H 1 7.826 0.030 . 1 . . . . . 1023 ALA H . 28012 1 885 . 1 . 1 136 136 ALA HA H 1 4.274 0.030 . 1 . . . . . 1023 ALA HA . 28012 1 886 . 1 . 1 136 136 ALA HB1 H 1 1.509 0.030 . 1 . . . . . 1023 ALA HB1 . 28012 1 887 . 1 . 1 136 136 ALA HB2 H 1 1.509 0.030 . 1 . . . . . 1023 ALA HB2 . 28012 1 888 . 1 . 1 136 136 ALA HB3 H 1 1.509 0.030 . 1 . . . . . 1023 ALA HB3 . 28012 1 889 . 1 . 1 136 136 ALA C C 13 179.662 0.500 . 1 . . . . . 1023 ALA C . 28012 1 890 . 1 . 1 136 136 ALA CA C 13 54.689 0.500 . 1 . . . . . 1023 ALA CA . 28012 1 891 . 1 . 1 136 136 ALA CB C 13 17.350 0.500 . 1 . . . . . 1023 ALA CB . 28012 1 892 . 1 . 1 136 136 ALA N N 15 124.865 0.500 . 1 . . . . . 1023 ALA N . 28012 1 893 . 1 . 1 137 137 ALA H H 1 8.605 0.030 . 1 . . . . . 1024 ALA H . 28012 1 894 . 1 . 1 137 137 ALA HA H 1 3.988 0.030 . 1 . . . . . 1024 ALA HA . 28012 1 895 . 1 . 1 137 137 ALA HB1 H 1 1.481 0.030 . 1 . . . . . 1024 ALA HB1 . 28012 1 896 . 1 . 1 137 137 ALA HB2 H 1 1.481 0.030 . 1 . . . . . 1024 ALA HB2 . 28012 1 897 . 1 . 1 137 137 ALA HB3 H 1 1.481 0.030 . 1 . . . . . 1024 ALA HB3 . 28012 1 898 . 1 . 1 137 137 ALA C C 13 178.111 0.500 . 1 . . . . . 1024 ALA C . 28012 1 899 . 1 . 1 137 137 ALA CA C 13 55.231 0.500 . 1 . . . . . 1024 ALA CA . 28012 1 900 . 1 . 1 137 137 ALA CB C 13 17.830 0.500 . 1 . . . . . 1024 ALA CB . 28012 1 901 . 1 . 1 137 137 ALA N N 15 121.521 0.500 . 1 . . . . . 1024 ALA N . 28012 1 902 . 1 . 1 138 138 HIS H H 1 8.325 0.030 . 1 . . . . . 1025 HIS H . 28012 1 903 . 1 . 1 138 138 HIS HA H 1 4.172 0.030 . 1 . . . . . 1025 HIS HA . 28012 1 904 . 1 . 1 138 138 HIS HB2 H 1 3.285 0.030 . 2 . . . . . 1025 HIS HB2 . 28012 1 905 . 1 . 1 138 138 HIS HB3 H 1 3.285 0.030 . 2 . . . . . 1025 HIS HB3 . 28012 1 906 . 1 . 1 138 138 HIS C C 13 176.749 0.500 . 1 . . . . . 1025 HIS C . 28012 1 907 . 1 . 1 138 138 HIS CA C 13 59.158 0.500 . 1 . . . . . 1025 HIS CA . 28012 1 908 . 1 . 1 138 138 HIS CB C 13 28.535 0.500 . 1 . . . . . 1025 HIS CB . 28012 1 909 . 1 . 1 138 138 HIS N N 15 117.098 0.500 . 1 . . . . . 1025 HIS N . 28012 1 910 . 1 . 1 139 139 ALA H H 1 7.858 0.030 . 1 . . . . . 1026 ALA H . 28012 1 911 . 1 . 1 139 139 ALA HA H 1 3.966 0.030 . 1 . . . . . 1026 ALA HA . 28012 1 912 . 1 . 1 139 139 ALA HB1 H 1 1.426 0.030 . 1 . . . . . 1026 ALA HB1 . 28012 1 913 . 1 . 1 139 139 ALA HB2 H 1 1.426 0.030 . 1 . . . . . 1026 ALA HB2 . 28012 1 914 . 1 . 1 139 139 ALA HB3 H 1 1.426 0.030 . 1 . . . . . 1026 ALA HB3 . 28012 1 915 . 1 . 1 139 139 ALA C C 13 178.427 0.500 . 1 . . . . . 1026 ALA C . 28012 1 916 . 1 . 1 139 139 ALA CA C 13 54.729 0.500 . 1 . . . . . 1026 ALA CA . 28012 1 917 . 1 . 1 139 139 ALA CB C 13 17.323 0.500 . 1 . . . . . 1026 ALA CB . 28012 1 918 . 1 . 1 139 139 ALA N N 15 121.090 0.500 . 1 . . . . . 1026 ALA N . 28012 1 919 . 1 . 1 140 140 LEU H H 1 7.527 0.030 . 1 . . . . . 1027 LEU H . 28012 1 920 . 1 . 1 140 140 LEU HA H 1 4.274 0.030 . 1 . . . . . 1027 LEU HA . 28012 1 921 . 1 . 1 140 140 LEU HB2 H 1 1.934 0.030 . 2 . . . . . 1027 LEU HB2 . 28012 1 922 . 1 . 1 140 140 LEU HB3 H 1 1.690 0.030 . 2 . . . . . 1027 LEU HB3 . 28012 1 923 . 1 . 1 140 140 LEU C C 13 178.174 0.500 . 1 . . . . . 1027 LEU C . 28012 1 924 . 1 . 1 140 140 LEU CA C 13 58.284 0.500 . 1 . . . . . 1027 LEU CA . 28012 1 925 . 1 . 1 140 140 LEU CB C 13 42.159 0.500 . 1 . . . . . 1027 LEU CB . 28012 1 926 . 1 . 1 140 140 LEU N N 15 117.098 0.500 . 1 . . . . . 1027 LEU N . 28012 1 927 . 1 . 1 141 141 ALA H H 1 7.621 0.030 . 1 . . . . . 1028 ALA H . 28012 1 928 . 1 . 1 141 141 ALA HA H 1 3.870 0.030 . 1 . . . . . 1028 ALA HA . 28012 1 929 . 1 . 1 141 141 ALA HB1 H 1 1.477 0.030 . 1 . . . . . 1028 ALA HB1 . 28012 1 930 . 1 . 1 141 141 ALA HB2 H 1 1.477 0.030 . 1 . . . . . 1028 ALA HB2 . 28012 1 931 . 1 . 1 141 141 ALA HB3 H 1 1.477 0.030 . 1 . . . . . 1028 ALA HB3 . 28012 1 932 . 1 . 1 141 141 ALA C C 13 179.789 0.500 . 1 . . . . . 1028 ALA C . 28012 1 933 . 1 . 1 141 141 ALA CA C 13 55.316 0.500 . 1 . . . . . 1028 ALA CA . 28012 1 934 . 1 . 1 141 141 ALA CB C 13 17.830 0.500 . 1 . . . . . 1028 ALA CB . 28012 1 935 . 1 . 1 141 141 ALA N N 15 119.472 0.500 . 1 . . . . . 1028 ALA N . 28012 1 936 . 1 . 1 142 142 VAL H H 1 8.095 0.030 . 1 . . . . . 1029 VAL H . 28012 1 937 . 1 . 1 142 142 VAL HA H 1 3.454 0.030 . 1 . . . . . 1029 VAL HA . 28012 1 938 . 1 . 1 142 142 VAL HB H 1 1.974 0.030 . 1 . . . . . 1029 VAL HB . 28012 1 939 . 1 . 1 142 142 VAL C C 13 178.915 0.500 . 1 . . . . . 1029 VAL C . 28012 1 940 . 1 . 1 142 142 VAL CA C 13 66.295 0.500 . 1 . . . . . 1029 VAL CA . 28012 1 941 . 1 . 1 142 142 VAL CB C 13 31.459 0.500 . 1 . . . . . 1029 VAL CB . 28012 1 942 . 1 . 1 142 142 VAL N N 15 119.634 0.500 . 1 . . . . . 1029 VAL N . 28012 1 943 . 1 . 1 143 143 ASP H H 1 9.010 0.030 . 1 . . . . . 1030 ASP H . 28012 1 944 . 1 . 1 143 143 ASP HA H 1 4.576 0.030 . 1 . . . . . 1030 ASP HA . 28012 1 945 . 1 . 1 143 143 ASP HB2 H 1 2.845 0.030 . 2 . . . . . 1030 ASP HB2 . 28012 1 946 . 1 . 1 143 143 ASP HB3 H 1 2.495 0.030 . 2 . . . . . 1030 ASP HB3 . 28012 1 947 . 1 . 1 143 143 ASP C C 13 179.757 0.500 . 1 . . . . . 1030 ASP C . 28012 1 948 . 1 . 1 143 143 ASP CA C 13 56.617 0.500 . 1 . . . . . 1030 ASP CA . 28012 1 949 . 1 . 1 143 143 ASP CB C 13 37.924 0.500 . 1 . . . . . 1030 ASP CB . 28012 1 950 . 1 . 1 143 143 ASP N N 15 121.192 0.500 . 1 . . . . . 1030 ASP N . 28012 1 951 . 1 . 1 144 144 ALA H H 1 8.646 0.030 . 1 . . . . . 1031 ALA H . 28012 1 952 . 1 . 1 144 144 ALA HA H 1 4.061 0.030 . 1 . . . . . 1031 ALA HA . 28012 1 953 . 1 . 1 144 144 ALA HB1 H 1 1.435 0.030 . 1 . . . . . 1031 ALA HB1 . 28012 1 954 . 1 . 1 144 144 ALA HB2 H 1 1.435 0.030 . 1 . . . . . 1031 ALA HB2 . 28012 1 955 . 1 . 1 144 144 ALA HB3 H 1 1.435 0.030 . 1 . . . . . 1031 ALA HB3 . 28012 1 956 . 1 . 1 144 144 ALA C C 13 178.047 0.500 . 1 . . . . . 1031 ALA C . 28012 1 957 . 1 . 1 144 144 ALA CA C 13 55.380 0.500 . 1 . . . . . 1031 ALA CA . 28012 1 958 . 1 . 1 144 144 ALA CB C 13 17.854 0.500 . 1 . . . . . 1031 ALA CB . 28012 1 959 . 1 . 1 144 144 ALA N N 15 127.238 0.500 . 1 . . . . . 1031 ALA N . 28012 1 960 . 1 . 1 145 145 LYS H H 1 7.606 0.030 . 1 . . . . . 1032 LYS H . 28012 1 961 . 1 . 1 145 145 LYS C C 13 178.559 0.500 . 1 . . . . . 1032 LYS C . 28012 1 962 . 1 . 1 145 145 LYS CA C 13 59.108 0.500 . 1 . . . . . 1032 LYS CA . 28012 1 963 . 1 . 1 145 145 LYS CB C 13 31.058 0.500 . 1 . . . . . 1032 LYS CB . 28012 1 964 . 1 . 1 145 145 LYS N N 15 118.993 0.500 . 1 . . . . . 1032 LYS N . 28012 1 965 . 1 . 1 146 146 ASN H H 1 8.301 0.030 . 1 . . . . . 1033 ASN H . 28012 1 966 . 1 . 1 146 146 ASN HA H 1 4.516 0.030 . 1 . . . . . 1033 ASN HA . 28012 1 967 . 1 . 1 146 146 ASN HB2 H 1 2.891 0.030 . 2 . . . . . 1033 ASN HB2 . 28012 1 968 . 1 . 1 146 146 ASN C C 13 177.026 0.500 . 1 . . . . . 1033 ASN C . 28012 1 969 . 1 . 1 146 146 ASN CA C 13 55.921 0.500 . 1 . . . . . 1033 ASN CA . 28012 1 970 . 1 . 1 146 146 ASN CB C 13 37.840 0.500 . 1 . . . . . 1033 ASN CB . 28012 1 971 . 1 . 1 146 146 ASN N N 15 118.555 0.500 . 1 . . . . . 1033 ASN N . 28012 1 972 . 1 . 1 147 147 LEU H H 1 7.720 0.030 . 1 . . . . . 1034 LEU H . 28012 1 973 . 1 . 1 147 147 LEU HA H 1 3.960 0.030 . 1 . . . . . 1034 LEU HA . 28012 1 974 . 1 . 1 147 147 LEU HB2 H 1 2.289 0.030 . 2 . . . . . 1034 LEU HB2 . 28012 1 975 . 1 . 1 147 147 LEU HB3 H 1 1.518 0.030 . 2 . . . . . 1034 LEU HB3 . 28012 1 976 . 1 . 1 147 147 LEU C C 13 177.224 0.500 . 1 . . . . . 1034 LEU C . 28012 1 977 . 1 . 1 147 147 LEU CA C 13 57.849 0.500 . 1 . . . . . 1034 LEU CA . 28012 1 978 . 1 . 1 147 147 LEU CB C 13 40.372 0.500 . 1 . . . . . 1034 LEU CB . 28012 1 979 . 1 . 1 147 147 LEU N N 15 120.496 0.500 . 1 . . . . . 1034 LEU N . 28012 1 980 . 1 . 1 148 148 LEU H H 1 7.720 0.030 . 1 . . . . . 1035 LEU H . 28012 1 981 . 1 . 1 148 148 LEU HA H 1 3.850 0.030 . 1 . . . . . 1035 LEU HA . 28012 1 982 . 1 . 1 148 148 LEU HB2 H 1 2.307 0.030 . 2 . . . . . 1035 LEU HB2 . 28012 1 983 . 1 . 1 148 148 LEU HB3 H 1 2.307 0.030 . 2 . . . . . 1035 LEU HB3 . 28012 1 984 . 1 . 1 148 148 LEU C C 13 177.003 0.500 . 1 . . . . . 1035 LEU C . 28012 1 985 . 1 . 1 148 148 LEU CA C 13 58.254 0.500 . 1 . . . . . 1035 LEU CA . 28012 1 986 . 1 . 1 148 148 LEU CB C 13 41.526 0.500 . 1 . . . . . 1035 LEU CB . 28012 1 987 . 1 . 1 148 148 LEU N N 15 119.633 0.500 . 1 . . . . . 1035 LEU N . 28012 1 988 . 1 . 1 149 149 ASP H H 1 8.107 0.030 . 1 . . . . . 1036 ASP H . 28012 1 989 . 1 . 1 149 149 ASP HA H 1 4.403 0.030 . 1 . . . . . 1036 ASP HA . 28012 1 990 . 1 . 1 149 149 ASP HB2 H 1 2.942 0.030 . 2 . . . . . 1036 ASP HB2 . 28012 1 991 . 1 . 1 149 149 ASP HB3 H 1 2.738 0.030 . 2 . . . . . 1036 ASP HB3 . 28012 1 992 . 1 . 1 149 149 ASP C C 13 178.997 0.500 . 1 . . . . . 1036 ASP C . 28012 1 993 . 1 . 1 149 149 ASP CA C 13 57.837 0.500 . 1 . . . . . 1036 ASP CA . 28012 1 994 . 1 . 1 149 149 ASP CB C 13 40.288 0.500 . 1 . . . . . 1036 ASP CB . 28012 1 995 . 1 . 1 149 149 ASP N N 15 118.123 0.500 . 1 . . . . . 1036 ASP N . 28012 1 996 . 1 . 1 150 150 VAL H H 1 8.150 0.030 . 1 . . . . . 1037 VAL H . 28012 1 997 . 1 . 1 150 150 VAL HA H 1 3.763 0.030 . 1 . . . . . 1037 VAL HA . 28012 1 998 . 1 . 1 150 150 VAL HB H 1 2.219 0.030 . 1 . . . . . 1037 VAL HB . 28012 1 999 . 1 . 1 150 150 VAL C C 13 179.155 0.500 . 1 . . . . . 1037 VAL C . 28012 1 1000 . 1 . 1 150 150 VAL CA C 13 66.043 0.500 . 1 . . . . . 1037 VAL CA . 28012 1 1001 . 1 . 1 150 150 VAL CB C 13 31.646 0.500 . 1 . . . . . 1037 VAL CB . 28012 1 1002 . 1 . 1 150 150 VAL N N 15 119.430 0.500 . 1 . . . . . 1037 VAL N . 28012 1 1003 . 1 . 1 151 151 ILE H H 1 8.254 0.030 . 1 . . . . . 1038 ILE H . 28012 1 1004 . 1 . 1 151 151 ILE HA H 1 3.701 0.030 . 1 . . . . . 1038 ILE HA . 28012 1 1005 . 1 . 1 151 151 ILE HB H 1 2.089 0.030 . 1 . . . . . 1038 ILE HB . 28012 1 1006 . 1 . 1 151 151 ILE C C 13 177.604 0.500 . 1 . . . . . 1038 ILE C . 28012 1 1007 . 1 . 1 151 151 ILE CA C 13 65.194 0.500 . 1 . . . . . 1038 ILE CA . 28012 1 1008 . 1 . 1 151 151 ILE CB C 13 36.692 0.500 . 1 . . . . . 1038 ILE CB . 28012 1 1009 . 1 . 1 151 151 ILE N N 15 122.708 0.500 . 1 . . . . . 1038 ILE N . 28012 1 1010 . 1 . 1 152 152 ASP H H 1 9.488 0.030 . 1 . . . . . 1039 ASP H . 28012 1 1011 . 1 . 1 152 152 ASP HA H 1 4.367 0.030 . 1 . . . . . 1039 ASP HA . 28012 1 1012 . 1 . 1 152 152 ASP HB2 H 1 2.965 0.030 . 2 . . . . . 1039 ASP HB2 . 28012 1 1013 . 1 . 1 152 152 ASP HB3 H 1 2.449 0.030 . 2 . . . . . 1039 ASP HB3 . 28012 1 1014 . 1 . 1 152 152 ASP C C 13 179.345 0.500 . 1 . . . . . 1039 ASP C . 28012 1 1015 . 1 . 1 152 152 ASP CA C 13 57.717 0.500 . 1 . . . . . 1039 ASP CA . 28012 1 1016 . 1 . 1 152 152 ASP CB C 13 39.804 0.500 . 1 . . . . . 1039 ASP CB . 28012 1 1017 . 1 . 1 152 152 ASP N N 15 122.725 0.500 . 1 . . . . . 1039 ASP N . 28012 1 1018 . 1 . 1 153 153 GLN H H 1 8.263 0.030 . 1 . . . . . 1040 GLN H . 28012 1 1019 . 1 . 1 153 153 GLN HA H 1 3.970 0.030 . 1 . . . . . 1040 GLN HA . 28012 1 1020 . 1 . 1 153 153 GLN HB2 H 1 2.187 0.030 . 2 . . . . . 1040 GLN HB2 . 28012 1 1021 . 1 . 1 153 153 GLN HB3 H 1 2.154 0.030 . 2 . . . . . 1040 GLN HB3 . 28012 1 1022 . 1 . 1 153 153 GLN C C 13 178.807 0.500 . 1 . . . . . 1040 GLN C . 28012 1 1023 . 1 . 1 153 153 GLN CA C 13 58.391 0.500 . 1 . . . . . 1040 GLN CA . 28012 1 1024 . 1 . 1 153 153 GLN CB C 13 28.030 0.500 . 1 . . . . . 1040 GLN CB . 28012 1 1025 . 1 . 1 153 153 GLN N N 15 117.627 0.500 . 1 . . . . . 1040 GLN N . 28012 1 1026 . 1 . 1 154 154 ALA H H 1 8.054 0.030 . 1 . . . . . 1041 ALA H . 28012 1 1027 . 1 . 1 154 154 ALA HA H 1 4.117 0.030 . 1 . . . . . 1041 ALA HA . 28012 1 1028 . 1 . 1 154 154 ALA HB1 H 1 1.743 0.030 . 1 . . . . . 1041 ALA HB1 . 28012 1 1029 . 1 . 1 154 154 ALA HB2 H 1 1.743 0.030 . 1 . . . . . 1041 ALA HB2 . 28012 1 1030 . 1 . 1 154 154 ALA HB3 H 1 1.743 0.030 . 1 . . . . . 1041 ALA HB3 . 28012 1 1031 . 1 . 1 154 154 ALA C C 13 179.535 0.500 . 1 . . . . . 1041 ALA C . 28012 1 1032 . 1 . 1 154 154 ALA CA C 13 55.110 0.500 . 1 . . . . . 1041 ALA CA . 28012 1 1033 . 1 . 1 154 154 ALA CB C 13 19.200 0.500 . 1 . . . . . 1041 ALA CB . 28012 1 1034 . 1 . 1 154 154 ALA N N 15 123.902 0.500 . 1 . . . . . 1041 ALA N . 28012 1 1035 . 1 . 1 155 155 ARG H H 1 8.637 0.030 . 1 . . . . . 1042 ARG H . 28012 1 1036 . 1 . 1 155 155 ARG HA H 1 3.914 0.030 . 1 . . . . . 1042 ARG HA . 28012 1 1037 . 1 . 1 155 155 ARG C C 13 179.535 0.500 . 1 . . . . . 1042 ARG C . 28012 1 1038 . 1 . 1 155 155 ARG CA C 13 59.765 0.500 . 1 . . . . . 1042 ARG CA . 28012 1 1039 . 1 . 1 155 155 ARG CB C 13 30.477 0.500 . 1 . . . . . 1042 ARG CB . 28012 1 1040 . 1 . 1 155 155 ARG N N 15 117.646 0.500 . 1 . . . . . 1042 ARG N . 28012 1 1041 . 1 . 1 156 156 LEU H H 1 8.127 0.030 . 1 . . . . . 1043 LEU H . 28012 1 1042 . 1 . 1 156 156 LEU C C 13 177.826 0.500 . 1 . . . . . 1043 LEU C . 28012 1 1043 . 1 . 1 156 156 LEU CA C 13 59.919 0.500 . 1 . . . . . 1043 LEU CA . 28012 1 1044 . 1 . 1 156 156 LEU N N 15 119.580 0.500 . 1 . . . . . 1043 LEU N . 28012 1 1045 . 1 . 1 157 157 LYS HA H 1 4.108 0.030 . 1 . . . . . 1044 LYS HA . 28012 1 1046 . 1 . 1 157 157 LYS HB2 H 1 1.979 0.030 . 2 . . . . . 1044 LYS HB2 . 28012 1 1047 . 1 . 1 157 157 LYS HB3 H 1 1.979 0.030 . 2 . . . . . 1044 LYS HB3 . 28012 1 1048 . 1 . 1 157 157 LYS C C 13 178.559 0.500 . 1 . . . . . 1044 LYS C . 28012 1 1049 . 1 . 1 157 157 LYS CA C 13 58.264 0.500 . 1 . . . . . 1044 LYS CA . 28012 1 1050 . 1 . 1 157 157 LYS CB C 13 31.888 0.500 . 1 . . . . . 1044 LYS CB . 28012 1 1051 . 1 . 1 158 158 MET H H 1 7.779 0.030 . 1 . . . . . 1045 MET H . 28012 1 1052 . 1 . 1 158 158 MET HA H 1 4.265 0.030 . 1 . . . . . 1045 MET HA . 28012 1 1053 . 1 . 1 158 158 MET HB2 H 1 2.357 0.030 . 2 . . . . . 1045 MET HB2 . 28012 1 1054 . 1 . 1 158 158 MET HB3 H 1 2.145 0.030 . 2 . . . . . 1045 MET HB3 . 28012 1 1055 . 1 . 1 158 158 MET C C 13 177.192 0.500 . 1 . . . . . 1045 MET C . 28012 1 1056 . 1 . 1 158 158 MET CA C 13 57.174 0.500 . 1 . . . . . 1045 MET CA . 28012 1 1057 . 1 . 1 158 158 MET CB C 13 33.027 0.500 . 1 . . . . . 1045 MET CB . 28012 1 1058 . 1 . 1 158 158 MET N N 15 118.177 0.500 . 1 . . . . . 1045 MET N . 28012 1 1059 . 1 . 1 159 159 LEU H H 1 7.832 0.030 . 1 . . . . . 1046 LEU H . 28012 1 1060 . 1 . 1 159 159 LEU HA H 1 4.272 0.030 . 1 . . . . . 1046 LEU HA . 28012 1 1061 . 1 . 1 159 159 LEU HB2 H 1 1.795 0.030 . 2 . . . . . 1046 LEU HB2 . 28012 1 1062 . 1 . 1 159 159 LEU HB3 H 1 1.611 0.030 . 2 . . . . . 1046 LEU HB3 . 28012 1 1063 . 1 . 1 159 159 LEU C C 13 178.301 0.500 . 1 . . . . . 1046 LEU C . 28012 1 1064 . 1 . 1 159 159 LEU CA C 13 55.907 0.500 . 1 . . . . . 1046 LEU CA . 28012 1 1065 . 1 . 1 159 159 LEU CB C 13 42.145 0.500 . 1 . . . . . 1046 LEU CB . 28012 1 1066 . 1 . 1 159 159 LEU N N 15 119.849 0.500 . 1 . . . . . 1046 LEU N . 28012 1 1067 . 1 . 1 160 160 GLY H H 1 8.037 0.030 . 1 . . . . . 1047 GLY H . 28012 1 1068 . 1 . 1 160 160 GLY HA2 H 1 3.970 0.030 . 2 . . . . . 1047 GLY HA2 . 28012 1 1069 . 1 . 1 160 160 GLY HA3 H 1 3.914 0.030 . 2 . . . . . 1047 GLY HA3 . 28012 1 1070 . 1 . 1 160 160 GLY C C 13 174.438 0.500 . 1 . . . . . 1047 GLY C . 28012 1 1071 . 1 . 1 160 160 GLY CA C 13 45.359 0.500 . 1 . . . . . 1047 GLY CA . 28012 1 1072 . 1 . 1 160 160 GLY N N 15 107.318 0.500 . 1 . . . . . 1047 GLY N . 28012 1 1073 . 1 . 1 161 161 GLN H H 1 7.967 0.030 . 1 . . . . . 1048 GLN H . 28012 1 1074 . 1 . 1 161 161 GLN HA H 1 4.427 0.030 . 1 . . . . . 1048 GLN HA . 28012 1 1075 . 1 . 1 161 161 GLN HB2 H 1 2.154 0.030 . 2 . . . . . 1048 GLN HB2 . 28012 1 1076 . 1 . 1 161 161 GLN HB3 H 1 1.988 0.030 . 2 . . . . . 1048 GLN HB3 . 28012 1 1077 . 1 . 1 161 161 GLN C C 13 176.053 0.500 . 1 . . . . . 1048 GLN C . 28012 1 1078 . 1 . 1 161 161 GLN CA C 13 55.401 0.500 . 1 . . . . . 1048 GLN CA . 28012 1 1079 . 1 . 1 161 161 GLN CB C 13 29.596 0.500 . 1 . . . . . 1048 GLN CB . 28012 1 1080 . 1 . 1 161 161 GLN N N 15 119.040 0.500 . 1 . . . . . 1048 GLN N . 28012 1 1081 . 1 . 1 162 162 THR H H 1 8.066 0.030 . 1 . . . . . 1049 THR H . 28012 1 1082 . 1 . 1 162 162 THR HA H 1 4.320 0.030 . 1 . . . . . 1049 THR HA . 28012 1 1083 . 1 . 1 162 162 THR C C 13 174.090 0.500 . 1 . . . . . 1049 THR C . 28012 1 1084 . 1 . 1 162 162 THR CA C 13 61.585 0.500 . 1 . . . . . 1049 THR CA . 28012 1 1085 . 1 . 1 162 162 THR CB C 13 69.789 0.500 . 1 . . . . . 1049 THR CB . 28012 1 1086 . 1 . 1 162 162 THR N N 15 114.510 0.500 . 1 . . . . . 1049 THR N . 28012 1 1087 . 1 . 1 163 163 ARG H H 1 8.224 0.030 . 1 . . . . . 1050 ARG H . 28012 1 1088 . 1 . 1 163 163 ARG HA H 1 4.326 0.030 . 1 . . . . . 1050 ARG HA . 28012 1 1089 . 1 . 1 163 163 ARG HB2 H 1 1.739 0.030 . 2 . . . . . 1050 ARG HB2 . 28012 1 1090 . 1 . 1 163 163 ARG HB3 H 1 1.739 0.030 . 2 . . . . . 1050 ARG HB3 . 28012 1 1091 . 1 . 1 163 163 ARG C C 13 173.995 0.500 . 1 . . . . . 1050 ARG C . 28012 1 1092 . 1 . 1 163 163 ARG CA C 13 53.512 0.500 . 1 . . . . . 1050 ARG CA . 28012 1 1093 . 1 . 1 163 163 ARG CB C 13 30.324 0.500 . 1 . . . . . 1050 ARG CB . 28012 1 1094 . 1 . 1 163 163 ARG N N 15 124.164 0.500 . 1 . . . . . 1050 ARG N . 28012 1 1095 . 1 . 1 164 164 PRO HA H 1 4.375 0.030 . 1 . . . . . 1051 PRO HA . 28012 1 1096 . 1 . 1 164 164 PRO HB2 H 1 2.228 0.030 . 2 . . . . . 1051 PRO HB2 . 28012 1 1097 . 1 . 1 164 164 PRO HB3 H 1 1.869 0.030 . 2 . . . . . 1051 PRO HB3 . 28012 1 1098 . 1 . 1 164 164 PRO C C 13 175.790 0.500 . 1 . . . . . 1051 PRO C . 28012 1 1099 . 1 . 1 164 164 PRO CA C 13 63.099 0.500 . 1 . . . . . 1051 PRO CA . 28012 1 1100 . 1 . 1 164 164 PRO CB C 13 31.803 0.500 . 1 . . . . . 1051 PRO CB . 28012 1 1101 . 1 . 1 165 165 HIS H H 1 7.918 0.030 . 1 . . . . . 1052 HIS H . 28012 1 1102 . 1 . 1 165 165 HIS C C 13 178.712 0.500 . 1 . . . . . 1052 HIS C . 28012 1 1103 . 1 . 1 165 165 HIS CA C 13 56.540 0.500 . 1 . . . . . 1052 HIS CA . 28012 1 1104 . 1 . 1 165 165 HIS CB C 13 30.159 0.500 . 1 . . . . . 1052 HIS CB . 28012 1 1105 . 1 . 1 165 165 HIS N N 15 123.367 0.500 . 1 . . . . . 1052 HIS N . 28012 1 stop_ save_