data_51973 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51973 _Entry.Title ; Backbone resonance assignments of Escherichia coli Adenylate kinase C77S ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-05-22 _Entry.Accession_date 2023-05-22 _Entry.Last_release_date 2023-05-22 _Entry.Original_release_date 2023-05-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 Julia Brom . A. . . 51973 2 Sasiprapa Samsri . . . . 51973 3 Ruta Petrikis . G. . . 51973 4 Stuart Parnham . . . . 51973 5 Gary Pielak . J. . . 51973 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of North Carolina at Chapel Hill' . 51973 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51973 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 376 51973 '15N chemical shifts' 200 51973 '1H chemical shifts' 200 51973 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 . . 2023-11-14 2023-05-22 update BMRB 'update entry citation' 51973 1 . . 2023-08-28 2023-05-22 original author 'original release' 51973 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51973 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37632688 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, 15N backbone resonance assignment of Escherichia coli adenylate kinase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 17 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 235 _Citation.Page_last 238 _Citation.Year 2023 _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 Julia Brom . A. . . 51973 1 2 Sasiprapa Samsri . . . . 51973 1 3 Ruta Petrikis . G. . . 51973 1 4 Stuart Parnham . . . . 51973 1 5 Gary Pielak . J. . . 51973 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51973 _Assembly.ID 1 _Assembly.Name 'Adenylate kinase C77S' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 'Adenylate kinase C77S' 1 $entity_1 . . yes native no no . . . 51973 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51973 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MRIILLGAPGAGKGTQAQFI MEKYGIPQISTGDMLRAAVK SGSELGKQAKDIMDAGKLVT DELVIALVKERIAQEDSRNG FLLDGFPRTIPQADAMKEAG INVDYVLEFDVPDELIVDRI VGRRVHAPSGRVYHVKFNPP KVEGKDDVTGEELTTRKDDQ EETVRKRLVEYHQMTAPLIG YYSKEAEAGNTKYAKVDGTK PVAEVRADLEKILG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _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 214 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation C77S _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_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 . MET . 51973 1 2 . ARG . 51973 1 3 . ILE . 51973 1 4 . ILE . 51973 1 5 . LEU . 51973 1 6 . LEU . 51973 1 7 . GLY . 51973 1 8 . ALA . 51973 1 9 . PRO . 51973 1 10 . GLY . 51973 1 11 . ALA . 51973 1 12 . GLY . 51973 1 13 . LYS . 51973 1 14 . GLY . 51973 1 15 . THR . 51973 1 16 . GLN . 51973 1 17 . ALA . 51973 1 18 . GLN . 51973 1 19 . PHE . 51973 1 20 . ILE . 51973 1 21 . MET . 51973 1 22 . GLU . 51973 1 23 . LYS . 51973 1 24 . TYR . 51973 1 25 . GLY . 51973 1 26 . ILE . 51973 1 27 . PRO . 51973 1 28 . GLN . 51973 1 29 . ILE . 51973 1 30 . SER . 51973 1 31 . THR . 51973 1 32 . GLY . 51973 1 33 . ASP . 51973 1 34 . MET . 51973 1 35 . LEU . 51973 1 36 . ARG . 51973 1 37 . ALA . 51973 1 38 . ALA . 51973 1 39 . VAL . 51973 1 40 . LYS . 51973 1 41 . SER . 51973 1 42 . GLY . 51973 1 43 . SER . 51973 1 44 . GLU . 51973 1 45 . LEU . 51973 1 46 . GLY . 51973 1 47 . LYS . 51973 1 48 . GLN . 51973 1 49 . ALA . 51973 1 50 . LYS . 51973 1 51 . ASP . 51973 1 52 . ILE . 51973 1 53 . MET . 51973 1 54 . ASP . 51973 1 55 . ALA . 51973 1 56 . GLY . 51973 1 57 . LYS . 51973 1 58 . LEU . 51973 1 59 . VAL . 51973 1 60 . THR . 51973 1 61 . ASP . 51973 1 62 . GLU . 51973 1 63 . LEU . 51973 1 64 . VAL . 51973 1 65 . ILE . 51973 1 66 . ALA . 51973 1 67 . LEU . 51973 1 68 . VAL . 51973 1 69 . LYS . 51973 1 70 . GLU . 51973 1 71 . ARG . 51973 1 72 . ILE . 51973 1 73 . ALA . 51973 1 74 . GLN . 51973 1 75 . GLU . 51973 1 76 . ASP . 51973 1 77 . SER . 51973 1 78 . ARG . 51973 1 79 . ASN . 51973 1 80 . GLY . 51973 1 81 . PHE . 51973 1 82 . LEU . 51973 1 83 . LEU . 51973 1 84 . ASP . 51973 1 85 . GLY . 51973 1 86 . PHE . 51973 1 87 . PRO . 51973 1 88 . ARG . 51973 1 89 . THR . 51973 1 90 . ILE . 51973 1 91 . PRO . 51973 1 92 . GLN . 51973 1 93 . ALA . 51973 1 94 . ASP . 51973 1 95 . ALA . 51973 1 96 . MET . 51973 1 97 . LYS . 51973 1 98 . GLU . 51973 1 99 . ALA . 51973 1 100 . GLY . 51973 1 101 . ILE . 51973 1 102 . ASN . 51973 1 103 . VAL . 51973 1 104 . ASP . 51973 1 105 . TYR . 51973 1 106 . VAL . 51973 1 107 . LEU . 51973 1 108 . GLU . 51973 1 109 . PHE . 51973 1 110 . ASP . 51973 1 111 . VAL . 51973 1 112 . PRO . 51973 1 113 . ASP . 51973 1 114 . GLU . 51973 1 115 . LEU . 51973 1 116 . ILE . 51973 1 117 . VAL . 51973 1 118 . ASP . 51973 1 119 . ARG . 51973 1 120 . ILE . 51973 1 121 . VAL . 51973 1 122 . GLY . 51973 1 123 . ARG . 51973 1 124 . ARG . 51973 1 125 . VAL . 51973 1 126 . HIS . 51973 1 127 . ALA . 51973 1 128 . PRO . 51973 1 129 . SER . 51973 1 130 . GLY . 51973 1 131 . ARG . 51973 1 132 . VAL . 51973 1 133 . TYR . 51973 1 134 . HIS . 51973 1 135 . VAL . 51973 1 136 . LYS . 51973 1 137 . PHE . 51973 1 138 . ASN . 51973 1 139 . PRO . 51973 1 140 . PRO . 51973 1 141 . LYS . 51973 1 142 . VAL . 51973 1 143 . GLU . 51973 1 144 . GLY . 51973 1 145 . LYS . 51973 1 146 . ASP . 51973 1 147 . ASP . 51973 1 148 . VAL . 51973 1 149 . THR . 51973 1 150 . GLY . 51973 1 151 . GLU . 51973 1 152 . GLU . 51973 1 153 . LEU . 51973 1 154 . THR . 51973 1 155 . THR . 51973 1 156 . ARG . 51973 1 157 . LYS . 51973 1 158 . ASP . 51973 1 159 . ASP . 51973 1 160 . GLN . 51973 1 161 . GLU . 51973 1 162 . GLU . 51973 1 163 . THR . 51973 1 164 . VAL . 51973 1 165 . ARG . 51973 1 166 . LYS . 51973 1 167 . ARG . 51973 1 168 . LEU . 51973 1 169 . VAL . 51973 1 170 . GLU . 51973 1 171 . TYR . 51973 1 172 . HIS . 51973 1 173 . GLN . 51973 1 174 . MET . 51973 1 175 . THR . 51973 1 176 . ALA . 51973 1 177 . PRO . 51973 1 178 . LEU . 51973 1 179 . ILE . 51973 1 180 . GLY . 51973 1 181 . TYR . 51973 1 182 . TYR . 51973 1 183 . SER . 51973 1 184 . LYS . 51973 1 185 . GLU . 51973 1 186 . ALA . 51973 1 187 . GLU . 51973 1 188 . ALA . 51973 1 189 . GLY . 51973 1 190 . ASN . 51973 1 191 . THR . 51973 1 192 . LYS . 51973 1 193 . TYR . 51973 1 194 . ALA . 51973 1 195 . LYS . 51973 1 196 . VAL . 51973 1 197 . ASP . 51973 1 198 . GLY . 51973 1 199 . THR . 51973 1 200 . LYS . 51973 1 201 . PRO . 51973 1 202 . VAL . 51973 1 203 . ALA . 51973 1 204 . GLU . 51973 1 205 . VAL . 51973 1 206 . ARG . 51973 1 207 . ALA . 51973 1 208 . ASP . 51973 1 209 . LEU . 51973 1 210 . GLU . 51973 1 211 . LYS . 51973 1 212 . ILE . 51973 1 213 . LEU . 51973 1 214 . GLY . 51973 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 . MET 1 1 51973 1 . ARG 2 2 51973 1 . ILE 3 3 51973 1 . ILE 4 4 51973 1 . LEU 5 5 51973 1 . LEU 6 6 51973 1 . GLY 7 7 51973 1 . ALA 8 8 51973 1 . PRO 9 9 51973 1 . GLY 10 10 51973 1 . ALA 11 11 51973 1 . GLY 12 12 51973 1 . LYS 13 13 51973 1 . GLY 14 14 51973 1 . THR 15 15 51973 1 . GLN 16 16 51973 1 . ALA 17 17 51973 1 . GLN 18 18 51973 1 . PHE 19 19 51973 1 . ILE 20 20 51973 1 . MET 21 21 51973 1 . GLU 22 22 51973 1 . LYS 23 23 51973 1 . TYR 24 24 51973 1 . GLY 25 25 51973 1 . ILE 26 26 51973 1 . PRO 27 27 51973 1 . GLN 28 28 51973 1 . ILE 29 29 51973 1 . SER 30 30 51973 1 . THR 31 31 51973 1 . GLY 32 32 51973 1 . ASP 33 33 51973 1 . MET 34 34 51973 1 . LEU 35 35 51973 1 . ARG 36 36 51973 1 . ALA 37 37 51973 1 . ALA 38 38 51973 1 . VAL 39 39 51973 1 . LYS 40 40 51973 1 . SER 41 41 51973 1 . GLY 42 42 51973 1 . SER 43 43 51973 1 . GLU 44 44 51973 1 . LEU 45 45 51973 1 . GLY 46 46 51973 1 . LYS 47 47 51973 1 . GLN 48 48 51973 1 . ALA 49 49 51973 1 . LYS 50 50 51973 1 . ASP 51 51 51973 1 . ILE 52 52 51973 1 . MET 53 53 51973 1 . ASP 54 54 51973 1 . ALA 55 55 51973 1 . GLY 56 56 51973 1 . LYS 57 57 51973 1 . LEU 58 58 51973 1 . VAL 59 59 51973 1 . THR 60 60 51973 1 . ASP 61 61 51973 1 . GLU 62 62 51973 1 . LEU 63 63 51973 1 . VAL 64 64 51973 1 . ILE 65 65 51973 1 . ALA 66 66 51973 1 . LEU 67 67 51973 1 . VAL 68 68 51973 1 . LYS 69 69 51973 1 . GLU 70 70 51973 1 . ARG 71 71 51973 1 . ILE 72 72 51973 1 . ALA 73 73 51973 1 . GLN 74 74 51973 1 . GLU 75 75 51973 1 . ASP 76 76 51973 1 . SER 77 77 51973 1 . ARG 78 78 51973 1 . ASN 79 79 51973 1 . GLY 80 80 51973 1 . PHE 81 81 51973 1 . LEU 82 82 51973 1 . LEU 83 83 51973 1 . ASP 84 84 51973 1 . GLY 85 85 51973 1 . PHE 86 86 51973 1 . PRO 87 87 51973 1 . ARG 88 88 51973 1 . THR 89 89 51973 1 . ILE 90 90 51973 1 . PRO 91 91 51973 1 . GLN 92 92 51973 1 . ALA 93 93 51973 1 . ASP 94 94 51973 1 . ALA 95 95 51973 1 . MET 96 96 51973 1 . LYS 97 97 51973 1 . GLU 98 98 51973 1 . ALA 99 99 51973 1 . GLY 100 100 51973 1 . ILE 101 101 51973 1 . ASN 102 102 51973 1 . VAL 103 103 51973 1 . ASP 104 104 51973 1 . TYR 105 105 51973 1 . VAL 106 106 51973 1 . LEU 107 107 51973 1 . GLU 108 108 51973 1 . PHE 109 109 51973 1 . ASP 110 110 51973 1 . VAL 111 111 51973 1 . PRO 112 112 51973 1 . ASP 113 113 51973 1 . GLU 114 114 51973 1 . LEU 115 115 51973 1 . ILE 116 116 51973 1 . VAL 117 117 51973 1 . ASP 118 118 51973 1 . ARG 119 119 51973 1 . ILE 120 120 51973 1 . VAL 121 121 51973 1 . GLY 122 122 51973 1 . ARG 123 123 51973 1 . ARG 124 124 51973 1 . VAL 125 125 51973 1 . HIS 126 126 51973 1 . ALA 127 127 51973 1 . PRO 128 128 51973 1 . SER 129 129 51973 1 . GLY 130 130 51973 1 . ARG 131 131 51973 1 . VAL 132 132 51973 1 . TYR 133 133 51973 1 . HIS 134 134 51973 1 . VAL 135 135 51973 1 . LYS 136 136 51973 1 . PHE 137 137 51973 1 . ASN 138 138 51973 1 . PRO 139 139 51973 1 . PRO 140 140 51973 1 . LYS 141 141 51973 1 . VAL 142 142 51973 1 . GLU 143 143 51973 1 . GLY 144 144 51973 1 . LYS 145 145 51973 1 . ASP 146 146 51973 1 . ASP 147 147 51973 1 . VAL 148 148 51973 1 . THR 149 149 51973 1 . GLY 150 150 51973 1 . GLU 151 151 51973 1 . GLU 152 152 51973 1 . LEU 153 153 51973 1 . THR 154 154 51973 1 . THR 155 155 51973 1 . ARG 156 156 51973 1 . LYS 157 157 51973 1 . ASP 158 158 51973 1 . ASP 159 159 51973 1 . GLN 160 160 51973 1 . GLU 161 161 51973 1 . GLU 162 162 51973 1 . THR 163 163 51973 1 . VAL 164 164 51973 1 . ARG 165 165 51973 1 . LYS 166 166 51973 1 . ARG 167 167 51973 1 . LEU 168 168 51973 1 . VAL 169 169 51973 1 . GLU 170 170 51973 1 . TYR 171 171 51973 1 . HIS 172 172 51973 1 . GLN 173 173 51973 1 . MET 174 174 51973 1 . THR 175 175 51973 1 . ALA 176 176 51973 1 . PRO 177 177 51973 1 . LEU 178 178 51973 1 . ILE 179 179 51973 1 . GLY 180 180 51973 1 . TYR 181 181 51973 1 . TYR 182 182 51973 1 . SER 183 183 51973 1 . LYS 184 184 51973 1 . GLU 185 185 51973 1 . ALA 186 186 51973 1 . GLU 187 187 51973 1 . ALA 188 188 51973 1 . GLY 189 189 51973 1 . ASN 190 190 51973 1 . THR 191 191 51973 1 . LYS 192 192 51973 1 . TYR 193 193 51973 1 . ALA 194 194 51973 1 . LYS 195 195 51973 1 . VAL 196 196 51973 1 . ASP 197 197 51973 1 . GLY 198 198 51973 1 . THR 199 199 51973 1 . LYS 200 200 51973 1 . PRO 201 201 51973 1 . VAL 202 202 51973 1 . ALA 203 203 51973 1 . GLU 204 204 51973 1 . VAL 205 205 51973 1 . ARG 206 206 51973 1 . ALA 207 207 51973 1 . ASP 208 208 51973 1 . LEU 209 209 51973 1 . GLU 210 210 51973 1 . LYS 211 211 51973 1 . ILE 212 212 51973 1 . LEU 213 213 51973 1 . GLY 214 214 51973 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51973 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . C77S . . . . . . . . . . . 51973 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51973 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . 'pET-28b(+)/ADK C77S' . . . 51973 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51973 _Sample.ID 1 _Sample.Name 'Adenylate kinase C77S' _Sample.Type solution _Sample.Sub_type . _Sample.Details '40 mM MOPS, 50 mM NaCl, 1% D2O, pH 6.7' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '99% H2O/1% 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 'Adenylate kinase C77S' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 900 . . uM . . . . 51973 1 2 MOPS 'natural abundance' . . . . . . 40 . . mM . . . . 51973 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 51973 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 51973 _Sample_condition_list.ID 1 _Sample_condition_list.Name Assignment _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' 0.05 . M 51973 1 pH 6.7 . pH 51973 1 pressure 1 . atm 51973 1 temperature 298 . K 51973 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51973 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51973 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51973 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51973 2 'peak picking' . 51973 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51973 _Software.ID 3 _Software.Type . _Software.Name SMILE _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51973 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51973 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'UNC Avance 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51973 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51973 1 2 '3D CBCA(CO)NH' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51973 1 3 '3D HNCACB' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51973 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51973 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'ADK assignments' _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 external indirect 0.251449530 . . . . . 51973 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 51973 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 51973 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51973 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Adenylate kinase C77S' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51973 1 2 '3D CBCA(CO)NH' . . . 51973 1 3 '3D HNCACB' . . . 51973 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51973 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 2 2 ARG H H 1 9.531648198 0 . 1 . . . . . 2 ARG H . 51973 1 2 . 1 . 1 2 2 ARG CA C 13 54.91029365 0 . 1 . . . . . 2 ARG CA . 51973 1 3 . 1 . 1 2 2 ARG CB C 13 32.0968117 0 . 1 . . . . . 2 ARG CB . 51973 1 4 . 1 . 1 2 2 ARG N N 15 127.5659212 0 . 1 . . . . . 2 ARG N . 51973 1 5 . 1 . 1 3 3 ILE H H 1 8.541281783 0 . 1 . . . . . 3 ILE H . 51973 1 6 . 1 . 1 3 3 ILE CA C 13 59.54507926 0 . 1 . . . . . 3 ILE CA . 51973 1 7 . 1 . 1 3 3 ILE CB C 13 44.25046367 0 . 1 . . . . . 3 ILE CB . 51973 1 8 . 1 . 1 3 3 ILE N N 15 124.7448928 0 . 1 . . . . . 3 ILE N . 51973 1 9 . 1 . 1 4 4 ILE H H 1 8.574474491 0 . 1 . . . . . 4 ILE H . 51973 1 10 . 1 . 1 4 4 ILE CA C 13 61.42238174 0 . 1 . . . . . 4 ILE CA . 51973 1 11 . 1 . 1 4 4 ILE CB C 13 40.82034746 0 . 1 . . . . . 4 ILE CB . 51973 1 12 . 1 . 1 4 4 ILE N N 15 126.0993443 0 . 1 . . . . . 4 ILE N . 51973 1 13 . 1 . 1 5 5 LEU H H 1 8.171200537 0 . 1 . . . . . 5 LEU H . 51973 1 14 . 1 . 1 5 5 LEU CA C 13 53.20867552 0 . 1 . . . . . 5 LEU CA . 51973 1 15 . 1 . 1 5 5 LEU CB C 13 44.98232264 0 . 1 . . . . . 5 LEU CB . 51973 1 16 . 1 . 1 5 5 LEU N N 15 128.7860101 0 . 1 . . . . . 5 LEU N . 51973 1 17 . 1 . 1 6 6 LEU H H 1 9.348759078 0 . 1 . . . . . 6 LEU H . 51973 1 18 . 1 . 1 6 6 LEU CA C 13 53.26750614 0 . 1 . . . . . 6 LEU CA . 51973 1 19 . 1 . 1 6 6 LEU CB C 13 44.65743146 0 . 1 . . . . . 6 LEU CB . 51973 1 20 . 1 . 1 6 6 LEU N N 15 128.4563863 0 . 1 . . . . . 6 LEU N . 51973 1 21 . 1 . 1 7 7 GLY H H 1 8.046977271 0 . 1 . . . . . 7 GLY H . 51973 1 22 . 1 . 1 7 7 GLY CA C 13 47.19045834 0 . 1 . . . . . 7 GLY CA . 51973 1 23 . 1 . 1 7 7 GLY N N 15 108.0789258 0 . 1 . . . . . 7 GLY N . 51973 1 24 . 1 . 1 8 8 ALA H H 1 9.144938324 0 . 1 . . . . . 8 ALA H . 51973 1 25 . 1 . 1 8 8 ALA CA C 13 50.07993443 0 . 1 . . . . . 8 ALA CA . 51973 1 26 . 1 . 1 8 8 ALA CB C 13 17.66050998 0 . 1 . . . . . 8 ALA CB . 51973 1 27 . 1 . 1 8 8 ALA N N 15 126.6737952 0 . 1 . . . . . 8 ALA N . 51973 1 28 . 1 . 1 10 10 GLY H H 1 8.327359111 0 . 1 . . . . . 10 GLY H . 51973 1 29 . 1 . 1 10 10 GLY CA C 13 46.22088763 0 . 1 . . . . . 10 GLY CA . 51973 1 30 . 1 . 1 10 10 GLY N N 15 111.9703091 0 . 1 . . . . . 10 GLY N . 51973 1 31 . 1 . 1 11 11 ALA H H 1 8.099277931 0 . 1 . . . . . 11 ALA H . 51973 1 32 . 1 . 1 11 11 ALA CA C 13 54.07001953 0 . 1 . . . . . 11 ALA CA . 51973 1 33 . 1 . 1 11 11 ALA CB C 13 19.99719631 0 . 1 . . . . . 11 ALA CB . 51973 1 34 . 1 . 1 11 11 ALA N N 15 121.3251756 0 . 1 . . . . . 11 ALA N . 51973 1 35 . 1 . 1 13 13 LYS H H 1 8.043863937 0 . 1 . . . . . 13 LYS H . 51973 1 36 . 1 . 1 13 13 LYS CA C 13 58.232 0 . 1 . . . . . 13 LYS CA . 51973 1 37 . 1 . 1 13 13 LYS CB C 13 32.27220162 0 . 1 . . . . . 13 LYS CB . 51973 1 38 . 1 . 1 13 13 LYS N N 15 120.7895816 0 . 1 . . . . . 13 LYS N . 51973 1 39 . 1 . 1 15 15 THR H H 1 7.40314701 0 . 1 . . . . . 15 THR H . 51973 1 40 . 1 . 1 15 15 THR CA C 13 59.34365922 0 . 1 . . . . . 15 THR CA . 51973 1 41 . 1 . 1 15 15 THR CB C 13 65.50157617 0 . 1 . . . . . 15 THR CB . 51973 1 42 . 1 . 1 15 15 THR N N 15 117.6536168 0 . 1 . . . . . 15 THR N . 51973 1 43 . 1 . 1 16 16 GLN H H 1 6.947008184 0 . 1 . . . . . 16 GLN H . 51973 1 44 . 1 . 1 16 16 GLN CA C 13 55.83597544 0 . 1 . . . . . 16 GLN CA . 51973 1 45 . 1 . 1 16 16 GLN CB C 13 29.29797616 0 . 1 . . . . . 16 GLN CB . 51973 1 46 . 1 . 1 16 16 GLN N N 15 117.6520508 0 . 1 . . . . . 16 GLN N . 51973 1 47 . 1 . 1 17 17 ALA H H 1 7.989408149 0 . 1 . . . . . 17 ALA H . 51973 1 48 . 1 . 1 17 17 ALA CA C 13 55.72993437 0 . 1 . . . . . 17 ALA CA . 51973 1 49 . 1 . 1 17 17 ALA CB C 13 18.40198241 0 . 1 . . . . . 17 ALA CB . 51973 1 50 . 1 . 1 17 17 ALA N N 15 122.5145318 0 . 1 . . . . . 17 ALA N . 51973 1 51 . 1 . 1 18 18 GLN H H 1 7.616339153 0 . 1 . . . . . 18 GLN H . 51973 1 52 . 1 . 1 18 18 GLN CA C 13 59.03437424 0 . 1 . . . . . 18 GLN CA . 51973 1 53 . 1 . 1 18 18 GLN CB C 13 27.94551125 0 . 1 . . . . . 18 GLN CB . 51973 1 54 . 1 . 1 18 18 GLN N N 15 114.8472946 0 . 1 . . . . . 18 GLN N . 51973 1 55 . 1 . 1 19 19 PHE H H 1 6.946704028 0 . 1 . . . . . 19 PHE H . 51973 1 56 . 1 . 1 19 19 PHE CA C 13 60.16864761 0 . 1 . . . . . 19 PHE CA . 51973 1 57 . 1 . 1 19 19 PHE CB C 13 38.79194824 0 . 1 . . . . . 19 PHE CB . 51973 1 58 . 1 . 1 19 19 PHE N N 15 118.7961919 0 . 1 . . . . . 19 PHE N . 51973 1 59 . 1 . 1 20 20 ILE H H 1 7.896530884 0 . 1 . . . . . 20 ILE H . 51973 1 60 . 1 . 1 20 20 ILE CA C 13 65.23872263 0 . 1 . . . . . 20 ILE CA . 51973 1 61 . 1 . 1 20 20 ILE CB C 13 38.37006887 0 . 1 . . . . . 20 ILE CB . 51973 1 62 . 1 . 1 20 20 ILE N N 15 120.0696271 0 . 1 . . . . . 20 ILE N . 51973 1 63 . 1 . 1 21 21 MET H H 1 8.322317497 0 . 1 . . . . . 21 MET H . 51973 1 64 . 1 . 1 21 21 MET CA C 13 60.39692213 0 . 1 . . . . . 21 MET CA . 51973 1 65 . 1 . 1 21 21 MET CB C 13 34.38734654 0 . 1 . . . . . 21 MET CB . 51973 1 66 . 1 . 1 21 21 MET N N 15 118.3375752 0 . 1 . . . . . 21 MET N . 51973 1 67 . 1 . 1 22 22 GLU H H 1 7.776710219 0 . 1 . . . . . 22 GLU H . 51973 1 68 . 1 . 1 22 22 GLU CA C 13 58.48959005 0 . 1 . . . . . 22 GLU CA . 51973 1 69 . 1 . 1 22 22 GLU CB C 13 29.93034443 0 . 1 . . . . . 22 GLU CB . 51973 1 70 . 1 . 1 22 22 GLU N N 15 117.4556314 0 . 1 . . . . . 22 GLU N . 51973 1 71 . 1 . 1 23 23 LYS H H 1 8.200775136 0 . 1 . . . . . 23 LYS H . 51973 1 72 . 1 . 1 23 23 LYS CA C 13 58.6911444 0 . 1 . . . . . 23 LYS CA . 51973 1 73 . 1 . 1 23 23 LYS CB C 13 31.80152333 0 . 1 . . . . . 23 LYS CB . 51973 1 74 . 1 . 1 23 23 LYS N N 15 120.2862218 0 . 1 . . . . . 23 LYS N . 51973 1 75 . 1 . 1 24 24 TYR H H 1 7.637616261 0 . 1 . . . . . 24 TYR H . 51973 1 76 . 1 . 1 24 24 TYR CA C 13 58.48025719 0 . 1 . . . . . 24 TYR CA . 51973 1 77 . 1 . 1 24 24 TYR CB C 13 38.57723773 0 . 1 . . . . . 24 TYR CB . 51973 1 78 . 1 . 1 24 24 TYR N N 15 112.3491271 0 . 1 . . . . . 24 TYR N . 51973 1 79 . 1 . 1 25 25 GLY H H 1 7.642251151 0 . 1 . . . . . 25 GLY H . 51973 1 80 . 1 . 1 25 25 GLY CA C 13 47.71680939 0 . 1 . . . . . 25 GLY CA . 51973 1 81 . 1 . 1 25 25 GLY N N 15 111.5202966 0 . 1 . . . . . 25 GLY N . 51973 1 82 . 1 . 1 26 26 ILE H H 1 7.221339699 0 . 1 . . . . . 26 ILE H . 51973 1 83 . 1 . 1 26 26 ILE CA C 13 57.31433728 0 . 1 . . . . . 26 ILE CA . 51973 1 84 . 1 . 1 26 26 ILE CB C 13 39.86049688 0 . 1 . . . . . 26 ILE CB . 51973 1 85 . 1 . 1 26 26 ILE N N 15 111.1611735 0 . 1 . . . . . 26 ILE N . 51973 1 86 . 1 . 1 28 28 GLN H H 1 8.215761408 0 . 1 . . . . . 28 GLN H . 51973 1 87 . 1 . 1 28 28 GLN CA C 13 54.38269281 0 . 1 . . . . . 28 GLN CA . 51973 1 88 . 1 . 1 28 28 GLN CB C 13 30.8151601 0 . 1 . . . . . 28 GLN CB . 51973 1 89 . 1 . 1 28 28 GLN N N 15 119.2946835 0 . 1 . . . . . 28 GLN N . 51973 1 90 . 1 . 1 29 29 ILE H H 1 9.328760421 0 . 1 . . . . . 29 ILE H . 51973 1 91 . 1 . 1 29 29 ILE CA C 13 60.58669892 0 . 1 . . . . . 29 ILE CA . 51973 1 92 . 1 . 1 29 29 ILE CB C 13 39.60035042 0 . 1 . . . . . 29 ILE CB . 51973 1 93 . 1 . 1 29 29 ILE N N 15 128.0351427 0 . 1 . . . . . 29 ILE N . 51973 1 94 . 1 . 1 30 30 SER H H 1 8.24811094 0 . 1 . . . . . 30 SER H . 51973 1 95 . 1 . 1 30 30 SER CA C 13 55.76312571 0 . 1 . . . . . 30 SER CA . 51973 1 96 . 1 . 1 30 30 SER CB C 13 65.67509618 0 . 1 . . . . . 30 SER CB . 51973 1 97 . 1 . 1 30 30 SER N N 15 120.902266 0 . 1 . . . . . 30 SER N . 51973 1 98 . 1 . 1 31 31 THR H H 1 9.24401739 0 . 1 . . . . . 31 THR H . 51973 1 99 . 1 . 1 31 31 THR CA C 13 59.44684081 0 . 1 . . . . . 31 THR CA . 51973 1 100 . 1 . 1 31 31 THR CB C 13 65.74001474 0 . 1 . . . . . 31 THR CB . 51973 1 101 . 1 . 1 31 31 THR N N 15 118.1751951 0 . 1 . . . . . 31 THR N . 51973 1 102 . 1 . 1 32 32 GLY H H 1 8.707460492 0 . 1 . . . . . 32 GLY H . 51973 1 103 . 1 . 1 32 32 GLY CA C 13 47.57165285 0 . 1 . . . . . 32 GLY CA . 51973 1 104 . 1 . 1 32 32 GLY N N 15 109.8936372 0 . 1 . . . . . 32 GLY N . 51973 1 105 . 1 . 1 33 33 ASP H H 1 7.447531816 0 . 1 . . . . . 33 ASP H . 51973 1 106 . 1 . 1 33 33 ASP CA C 13 57.09984381 0 . 1 . . . . . 33 ASP CA . 51973 1 107 . 1 . 1 33 33 ASP CB C 13 40.71758827 0 . 1 . . . . . 33 ASP CB . 51973 1 108 . 1 . 1 33 33 ASP N N 15 121.3897851 0 . 1 . . . . . 33 ASP N . 51973 1 109 . 1 . 1 34 34 MET H H 1 8.120451007 0 . 1 . . . . . 34 MET H . 51973 1 110 . 1 . 1 34 34 MET CA C 13 59.35176605 0 . 1 . . . . . 34 MET CA . 51973 1 111 . 1 . 1 34 34 MET CB C 13 33.95615889 0 . 1 . . . . . 34 MET CB . 51973 1 112 . 1 . 1 34 34 MET N N 15 120.1118411 0 . 1 . . . . . 34 MET N . 51973 1 113 . 1 . 1 35 35 LEU H H 1 8.354749848 0 . 1 . . . . . 35 LEU H . 51973 1 114 . 1 . 1 35 35 LEU CA C 13 58.41785133 0 . 1 . . . . . 35 LEU CA . 51973 1 115 . 1 . 1 35 35 LEU CB C 13 41.80093877 0 . 1 . . . . . 35 LEU CB . 51973 1 116 . 1 . 1 35 35 LEU N N 15 121.3180964 0 . 1 . . . . . 35 LEU N . 51973 1 117 . 1 . 1 36 36 ARG H H 1 7.704405277 0 . 1 . . . . . 36 ARG H . 51973 1 118 . 1 . 1 36 36 ARG CA C 13 59.73174218 0 . 1 . . . . . 36 ARG CA . 51973 1 119 . 1 . 1 36 36 ARG CB C 13 30.459 0 . 1 . . . . . 36 ARG CB . 51973 1 120 . 1 . 1 36 36 ARG N N 15 117.8279345 0 . 1 . . . . . 36 ARG N . 51973 1 121 . 1 . 1 37 37 ALA H H 1 7.973426805 0 . 1 . . . . . 37 ALA H . 51973 1 122 . 1 . 1 37 37 ALA CA C 13 54.4571553 0 . 1 . . . . . 37 ALA CA . 51973 1 123 . 1 . 1 37 37 ALA CB C 13 18.29938955 0 . 1 . . . . . 37 ALA CB . 51973 1 124 . 1 . 1 37 37 ALA N N 15 120.2226645 0 . 1 . . . . . 37 ALA N . 51973 1 125 . 1 . 1 38 38 ALA H H 1 8.014654661 0 . 1 . . . . . 38 ALA H . 51973 1 126 . 1 . 1 38 38 ALA CA C 13 54.86971613 0 . 1 . . . . . 38 ALA CA . 51973 1 127 . 1 . 1 38 38 ALA CB C 13 18.40320295 0 . 1 . . . . . 38 ALA CB . 51973 1 128 . 1 . 1 38 38 ALA N N 15 121.9192015 0 . 1 . . . . . 38 ALA N . 51973 1 129 . 1 . 1 39 39 VAL H H 1 7.998341963 0 . 1 . . . . . 39 VAL H . 51973 1 130 . 1 . 1 39 39 VAL CA C 13 66.27564021 0 . 1 . . . . . 39 VAL CA . 51973 1 131 . 1 . 1 39 39 VAL CB C 13 31.93425355 0 . 1 . . . . . 39 VAL CB . 51973 1 132 . 1 . 1 39 39 VAL N N 15 116.9721547 0 . 1 . . . . . 39 VAL N . 51973 1 133 . 1 . 1 40 40 LYS H H 1 7.595606019 0 . 1 . . . . . 40 LYS H . 51973 1 134 . 1 . 1 40 40 LYS CA C 13 57.95075544 0 . 1 . . . . . 40 LYS CA . 51973 1 135 . 1 . 1 40 40 LYS CB C 13 32.43702084 0 . 1 . . . . . 40 LYS CB . 51973 1 136 . 1 . 1 40 40 LYS N N 15 119.2280682 0 . 1 . . . . . 40 LYS N . 51973 1 137 . 1 . 1 41 41 SER H H 1 7.836236852 0 . 1 . . . . . 41 SER H . 51973 1 138 . 1 . 1 41 41 SER CA C 13 59.86675016 0 . 1 . . . . . 41 SER CA . 51973 1 139 . 1 . 1 41 41 SER CB C 13 64.44620753 0 . 1 . . . . . 41 SER CB . 51973 1 140 . 1 . 1 41 41 SER N N 15 113.6929023 0 . 1 . . . . . 41 SER N . 51973 1 141 . 1 . 1 42 42 GLY H H 1 7.828812467 0 . 1 . . . . . 42 GLY H . 51973 1 142 . 1 . 1 42 42 GLY CA C 13 46.17982444 0 . 1 . . . . . 42 GLY CA . 51973 1 143 . 1 . 1 42 42 GLY N N 15 109.6899019 0 . 1 . . . . . 42 GLY N . 51973 1 144 . 1 . 1 43 43 SER H H 1 7.797089922 0 . 1 . . . . . 43 SER H . 51973 1 145 . 1 . 1 43 43 SER CA C 13 57.59088123 0 . 1 . . . . . 43 SER CA . 51973 1 146 . 1 . 1 43 43 SER CB C 13 64.73715742 0 . 1 . . . . . 43 SER CB . 51973 1 147 . 1 . 1 43 43 SER N N 15 115.4035073 0 . 1 . . . . . 43 SER N . 51973 1 148 . 1 . 1 44 44 GLU H H 1 8.892709901 0 . 1 . . . . . 44 GLU H . 51973 1 149 . 1 . 1 44 44 GLU CA C 13 60.0446015 0 . 1 . . . . . 44 GLU CA . 51973 1 150 . 1 . 1 44 44 GLU CB C 13 29.25829781 0 . 1 . . . . . 44 GLU CB . 51973 1 151 . 1 . 1 44 44 GLU N N 15 122.6754935 0 . 1 . . . . . 44 GLU N . 51973 1 152 . 1 . 1 45 45 LEU H H 1 8.387082639 0 . 1 . . . . . 45 LEU H . 51973 1 153 . 1 . 1 45 45 LEU CA C 13 57.4612955 0 . 1 . . . . . 45 LEU CA . 51973 1 154 . 1 . 1 45 45 LEU CB C 13 42.08495044 0 . 1 . . . . . 45 LEU CB . 51973 1 155 . 1 . 1 45 45 LEU N N 15 119.3288937 0 . 1 . . . . . 45 LEU N . 51973 1 156 . 1 . 1 46 46 GLY H H 1 8.046977212 0 . 1 . . . . . 46 GLY H . 51973 1 157 . 1 . 1 46 46 GLY CA C 13 46.34684032 0 . 1 . . . . . 46 GLY CA . 51973 1 158 . 1 . 1 46 46 GLY N N 15 108.3741579 0 . 1 . . . . . 46 GLY N . 51973 1 159 . 1 . 1 47 47 LYS H H 1 8.286944889 0 . 1 . . . . . 47 LYS H . 51973 1 160 . 1 . 1 47 47 LYS CA C 13 59.51395729 0 . 1 . . . . . 47 LYS CA . 51973 1 161 . 1 . 1 47 47 LYS CB C 13 32.22034978 0 . 1 . . . . . 47 LYS CB . 51973 1 162 . 1 . 1 47 47 LYS N N 15 122.2957662 0 . 1 . . . . . 47 LYS N . 51973 1 163 . 1 . 1 48 48 GLN H H 1 7.518910514 0 . 1 . . . . . 48 GLN H . 51973 1 164 . 1 . 1 48 48 GLN CA C 13 59.04766517 0 . 1 . . . . . 48 GLN CA . 51973 1 165 . 1 . 1 48 48 GLN CB C 13 28.80552199 0 . 1 . . . . . 48 GLN CB . 51973 1 166 . 1 . 1 48 48 GLN N N 15 118.7441853 0 . 1 . . . . . 48 GLN N . 51973 1 167 . 1 . 1 49 49 ALA H H 1 8.26341576 0 . 1 . . . . . 49 ALA H . 51973 1 168 . 1 . 1 49 49 ALA CA C 13 55.24119189 0 . 1 . . . . . 49 ALA CA . 51973 1 169 . 1 . 1 49 49 ALA CB C 13 17.7076632 0 . 1 . . . . . 49 ALA CB . 51973 1 170 . 1 . 1 49 49 ALA N N 15 120.763336 0 . 1 . . . . . 49 ALA N . 51973 1 171 . 1 . 1 50 50 LYS H H 1 8.369533817 0 . 1 . . . . . 50 LYS H . 51973 1 172 . 1 . 1 50 50 LYS CA C 13 59.47995069 0 . 1 . . . . . 50 LYS CA . 51973 1 173 . 1 . 1 50 50 LYS CB C 13 32.76110677 0 . 1 . . . . . 50 LYS CB . 51973 1 174 . 1 . 1 50 50 LYS N N 15 119.6762255 0 . 1 . . . . . 50 LYS N . 51973 1 175 . 1 . 1 51 51 ASP H H 1 7.887638261 0 . 1 . . . . . 51 ASP H . 51973 1 176 . 1 . 1 51 51 ASP CA C 13 57.55524084 0 . 1 . . . . . 51 ASP CA . 51973 1 177 . 1 . 1 51 51 ASP CB C 13 40.25497157 0 . 1 . . . . . 51 ASP CB . 51973 1 178 . 1 . 1 51 51 ASP N N 15 118.4247124 0 . 1 . . . . . 51 ASP N . 51973 1 179 . 1 . 1 52 52 ILE H H 1 7.477026157 0 . 1 . . . . . 52 ILE H . 51973 1 180 . 1 . 1 52 52 ILE CA C 13 64.99447994 0 . 1 . . . . . 52 ILE CA . 51973 1 181 . 1 . 1 52 52 ILE CB C 13 38.57447102 0 . 1 . . . . . 52 ILE CB . 51973 1 182 . 1 . 1 52 52 ILE N N 15 120.8097665 0 . 1 . . . . . 52 ILE N . 51973 1 183 . 1 . 1 53 53 MET H H 1 8.306338754 0 . 1 . . . . . 53 MET H . 51973 1 184 . 1 . 1 53 53 MET CA C 13 59.33563132 0 . 1 . . . . . 53 MET CA . 51973 1 185 . 1 . 1 53 53 MET CB C 13 33.18454122 0 . 1 . . . . . 53 MET CB . 51973 1 186 . 1 . 1 53 53 MET N N 15 119.3962054 0 . 1 . . . . . 53 MET N . 51973 1 187 . 1 . 1 54 54 ASP H H 1 9.187849072 0 . 1 . . . . . 54 ASP H . 51973 1 188 . 1 . 1 54 54 ASP CA C 13 56.96719707 0 . 1 . . . . . 54 ASP CA . 51973 1 189 . 1 . 1 54 54 ASP CB C 13 39.86307277 0 . 1 . . . . . 54 ASP CB . 51973 1 190 . 1 . 1 54 54 ASP N N 15 122.0438803 0 . 1 . . . . . 54 ASP N . 51973 1 191 . 1 . 1 55 55 ALA H H 1 7.247337808 0 . 1 . . . . . 55 ALA H . 51973 1 192 . 1 . 1 55 55 ALA CA C 13 52.01677006 0 . 1 . . . . . 55 ALA CA . 51973 1 193 . 1 . 1 55 55 ALA CB C 13 19.10698557 0 . 1 . . . . . 55 ALA CB . 51973 1 194 . 1 . 1 55 55 ALA N N 15 119.7484145 0 . 1 . . . . . 55 ALA N . 51973 1 195 . 1 . 1 56 56 GLY H H 1 7.961491794 0 . 1 . . . . . 56 GLY H . 51973 1 196 . 1 . 1 56 56 GLY CA C 13 45.93597052 0 . 1 . . . . . 56 GLY CA . 51973 1 197 . 1 . 1 56 56 GLY N N 15 107.7535809 0 . 1 . . . . . 56 GLY N . 51973 1 198 . 1 . 1 57 57 LYS H H 1 7.458211123 0 . 1 . . . . . 57 LYS H . 51973 1 199 . 1 . 1 57 57 LYS CA C 13 54.87798523 0 . 1 . . . . . 57 LYS CA . 51973 1 200 . 1 . 1 57 57 LYS CB C 13 34.75776045 0 . 1 . . . . . 57 LYS CB . 51973 1 201 . 1 . 1 57 57 LYS N N 15 119.2579495 0 . 1 . . . . . 57 LYS N . 51973 1 202 . 1 . 1 58 58 LEU H H 1 7.880713523 0 . 1 . . . . . 58 LEU H . 51973 1 203 . 1 . 1 58 58 LEU CA C 13 54.26802249 0 . 1 . . . . . 58 LEU CA . 51973 1 204 . 1 . 1 58 58 LEU CB C 13 42.65987145 0 . 1 . . . . . 58 LEU CB . 51973 1 205 . 1 . 1 58 58 LEU N N 15 119.6661364 0 . 1 . . . . . 58 LEU N . 51973 1 206 . 1 . 1 59 59 VAL H H 1 8.322339259 0 . 1 . . . . . 59 VAL H . 51973 1 207 . 1 . 1 59 59 VAL CA C 13 63.51712699 0 . 1 . . . . . 59 VAL CA . 51973 1 208 . 1 . 1 59 59 VAL CB C 13 31.45375345 0 . 1 . . . . . 59 VAL CB . 51973 1 209 . 1 . 1 59 59 VAL N N 15 121.7351347 0 . 1 . . . . . 59 VAL N . 51973 1 210 . 1 . 1 60 60 THR H H 1 6.935868801 0 . 1 . . . . . 60 THR H . 51973 1 211 . 1 . 1 60 60 THR CA C 13 60.99331133 0 . 1 . . . . . 60 THR CA . 51973 1 212 . 1 . 1 60 60 THR CB C 13 70.41468249 0 . 1 . . . . . 60 THR CB . 51973 1 213 . 1 . 1 60 60 THR N N 15 116.3932322 0 . 1 . . . . . 60 THR N . 51973 1 214 . 1 . 1 61 61 ASP H H 1 8.853725875 0 . 1 . . . . . 61 ASP H . 51973 1 215 . 1 . 1 61 61 ASP CA C 13 57.73714922 0 . 1 . . . . . 61 ASP CA . 51973 1 216 . 1 . 1 61 61 ASP CB C 13 39.99644697 0 . 1 . . . . . 61 ASP CB . 51973 1 217 . 1 . 1 61 61 ASP N N 15 121.9928188 0 . 1 . . . . . 61 ASP N . 51973 1 218 . 1 . 1 62 62 GLU H H 1 8.687101724 0 . 1 . . . . . 62 GLU H . 51973 1 219 . 1 . 1 62 62 GLU CA C 13 59.95262769 0 . 1 . . . . . 62 GLU CA . 51973 1 220 . 1 . 1 62 62 GLU CB C 13 28.89488175 0 . 1 . . . . . 62 GLU CB . 51973 1 221 . 1 . 1 62 62 GLU N N 15 117.1777298 0 . 1 . . . . . 62 GLU N . 51973 1 222 . 1 . 1 63 63 LEU H H 1 7.385096448 0 . 1 . . . . . 63 LEU H . 51973 1 223 . 1 . 1 63 63 LEU CA C 13 57.69584424 0 . 1 . . . . . 63 LEU CA . 51973 1 224 . 1 . 1 63 63 LEU CB C 13 41.69078581 0 . 1 . . . . . 63 LEU CB . 51973 1 225 . 1 . 1 63 63 LEU N N 15 122.2828452 0 . 1 . . . . . 63 LEU N . 51973 1 226 . 1 . 1 64 64 VAL H H 1 7.862130806 0 . 1 . . . . . 64 VAL H . 51973 1 227 . 1 . 1 64 64 VAL CA C 13 67.62857378 0 . 1 . . . . . 64 VAL CA . 51973 1 228 . 1 . 1 64 64 VAL CB C 13 31.19953632 0 . 1 . . . . . 64 VAL CB . 51973 1 229 . 1 . 1 64 64 VAL N N 15 118.4333956 0 . 1 . . . . . 64 VAL N . 51973 1 230 . 1 . 1 65 65 ILE H H 1 8.292209652 0 . 1 . . . . . 65 ILE H . 51973 1 231 . 1 . 1 65 65 ILE CA C 13 63.24305638 0 . 1 . . . . . 65 ILE CA . 51973 1 232 . 1 . 1 65 65 ILE CB C 13 35.65958658 0 . 1 . . . . . 65 ILE CB . 51973 1 233 . 1 . 1 65 65 ILE N N 15 118.994342 0 . 1 . . . . . 65 ILE N . 51973 1 234 . 1 . 1 66 66 ALA H H 1 7.518269448 0 . 1 . . . . . 66 ALA H . 51973 1 235 . 1 . 1 66 66 ALA CA C 13 55.57050546 0 . 1 . . . . . 66 ALA CA . 51973 1 236 . 1 . 1 66 66 ALA CB C 13 18.24145573 0 . 1 . . . . . 66 ALA CB . 51973 1 237 . 1 . 1 66 66 ALA N N 15 122.5163452 0 . 1 . . . . . 66 ALA N . 51973 1 238 . 1 . 1 67 67 LEU H H 1 8.188344028 0 . 1 . . . . . 67 LEU H . 51973 1 239 . 1 . 1 67 67 LEU CA C 13 57.61894181 0 . 1 . . . . . 67 LEU CA . 51973 1 240 . 1 . 1 67 67 LEU CB C 13 41.50522109 0 . 1 . . . . . 67 LEU CB . 51973 1 241 . 1 . 1 67 67 LEU N N 15 119.7049691 0 . 1 . . . . . 67 LEU N . 51973 1 242 . 1 . 1 68 68 VAL H H 1 8.446905476 0 . 1 . . . . . 68 VAL H . 51973 1 243 . 1 . 1 68 68 VAL CA C 13 66.82068679 0 . 1 . . . . . 68 VAL CA . 51973 1 244 . 1 . 1 68 68 VAL CB C 13 31.01311774 0 . 1 . . . . . 68 VAL CB . 51973 1 245 . 1 . 1 68 68 VAL N N 15 123.092021 0 . 1 . . . . . 68 VAL N . 51973 1 246 . 1 . 1 69 69 LYS H H 1 8.286257912 0 . 1 . . . . . 69 LYS H . 51973 1 247 . 1 . 1 69 69 LYS CA C 13 60.24840023 0 . 1 . . . . . 69 LYS CA . 51973 1 248 . 1 . 1 69 69 LYS CB C 13 32.12478423 0 . 1 . . . . . 69 LYS CB . 51973 1 249 . 1 . 1 69 69 LYS N N 15 118.6730602 0 . 1 . . . . . 69 LYS N . 51973 1 250 . 1 . 1 70 70 GLU H H 1 7.392943938 0 . 1 . . . . . 70 GLU H . 51973 1 251 . 1 . 1 70 70 GLU CA C 13 59.28846379 0 . 1 . . . . . 70 GLU CA . 51973 1 252 . 1 . 1 70 70 GLU CB C 13 30.0097202 0 . 1 . . . . . 70 GLU CB . 51973 1 253 . 1 . 1 70 70 GLU N N 15 117.2802316 0 . 1 . . . . . 70 GLU N . 51973 1 254 . 1 . 1 71 71 ARG H H 1 8.130717246 0 . 1 . . . . . 71 ARG H . 51973 1 255 . 1 . 1 71 71 ARG CA C 13 57.55618534 0 . 1 . . . . . 71 ARG CA . 51973 1 256 . 1 . 1 71 71 ARG CB C 13 29.18008119 0 . 1 . . . . . 71 ARG CB . 51973 1 257 . 1 . 1 71 71 ARG N N 15 121.4202933 0 . 1 . . . . . 71 ARG N . 51973 1 258 . 1 . 1 72 72 ILE H H 1 8.181123249 0 . 1 . . . . . 72 ILE H . 51973 1 259 . 1 . 1 72 72 ILE CA C 13 63.20839626 0 . 1 . . . . . 72 ILE CA . 51973 1 260 . 1 . 1 72 72 ILE CB C 13 36.77056119 0 . 1 . . . . . 72 ILE CB . 51973 1 261 . 1 . 1 72 72 ILE N N 15 112.0552595 0 . 1 . . . . . 72 ILE N . 51973 1 262 . 1 . 1 73 73 ALA H H 1 7.049365521 0 . 1 . . . . . 73 ALA H . 51973 1 263 . 1 . 1 73 73 ALA CA C 13 51.84440443 0 . 1 . . . . . 73 ALA CA . 51973 1 264 . 1 . 1 73 73 ALA CB C 13 18.83448434 0 . 1 . . . . . 73 ALA CB . 51973 1 265 . 1 . 1 73 73 ALA N N 15 122.462643 0 . 1 . . . . . 73 ALA N . 51973 1 266 . 1 . 1 74 74 GLN H H 1 7.055549974 0 . 1 . . . . . 74 GLN H . 51973 1 267 . 1 . 1 74 74 GLN CA C 13 55.80995888 0 . 1 . . . . . 74 GLN CA . 51973 1 268 . 1 . 1 74 74 GLN CB C 13 29.16513622 0 . 1 . . . . . 74 GLN CB . 51973 1 269 . 1 . 1 74 74 GLN N N 15 116.8627811 0 . 1 . . . . . 74 GLN N . 51973 1 270 . 1 . 1 75 75 GLU H H 1 8.86742876 0 . 1 . . . . . 75 GLU H . 51973 1 271 . 1 . 1 75 75 GLU CA C 13 55.73230276 0 . 1 . . . . . 75 GLU CA . 51973 1 272 . 1 . 1 75 75 GLU CB C 13 29.4808982 0 . 1 . . . . . 75 GLU CB . 51973 1 273 . 1 . 1 75 75 GLU N N 15 122.0979204 0 . 1 . . . . . 75 GLU N . 51973 1 274 . 1 . 1 76 76 ASP H H 1 8.375470556 0 . 1 . . . . . 76 ASP H . 51973 1 275 . 1 . 1 76 76 ASP CA C 13 55.47065608 0 . 1 . . . . . 76 ASP CA . 51973 1 276 . 1 . 1 76 76 ASP CB C 13 38.98021288 0 . 1 . . . . . 76 ASP CB . 51973 1 277 . 1 . 1 76 76 ASP N N 15 116.8936263 0 . 1 . . . . . 76 ASP N . 51973 1 278 . 1 . 1 77 77 SER H H 1 7.779900468 0 . 1 . . . . . 77 SER H . 51973 1 279 . 1 . 1 77 77 SER CA C 13 58.10162902 0 . 1 . . . . . 77 SER CA . 51973 1 280 . 1 . 1 77 77 SER CB C 13 64.73650758 0 . 1 . . . . . 77 SER CB . 51973 1 281 . 1 . 1 77 77 SER N N 15 116.8427983 0 . 1 . . . . . 77 SER N . 51973 1 282 . 1 . 1 78 78 ARG H H 1 7.551382964 0 . 1 . . . . . 78 ARG H . 51973 1 283 . 1 . 1 78 78 ARG CA C 13 59.35905766 0 . 1 . . . . . 78 ARG CA . 51973 1 284 . 1 . 1 78 78 ARG CB C 13 30.10266713 0 . 1 . . . . . 78 ARG CB . 51973 1 285 . 1 . 1 78 78 ARG N N 15 122.7496275 0 . 1 . . . . . 78 ARG N . 51973 1 286 . 1 . 1 79 79 ASN H H 1 8.814522582 0 . 1 . . . . . 79 ASN H . 51973 1 287 . 1 . 1 79 79 ASN CA C 13 52.55849302 0 . 1 . . . . . 79 ASN CA . 51973 1 288 . 1 . 1 79 79 ASN CB C 13 38.84223546 0 . 1 . . . . . 79 ASN CB . 51973 1 289 . 1 . 1 79 79 ASN N N 15 115.1169008 0 . 1 . . . . . 79 ASN N . 51973 1 290 . 1 . 1 80 80 GLY H H 1 7.648892488 0 . 1 . . . . . 80 GLY H . 51973 1 291 . 1 . 1 80 80 GLY CA C 13 43.91073632 0 . 1 . . . . . 80 GLY CA . 51973 1 292 . 1 . 1 80 80 GLY N N 15 108.5856366 0 . 1 . . . . . 80 GLY N . 51973 1 293 . 1 . 1 81 81 PHE H H 1 7.394973793 0 . 1 . . . . . 81 PHE H . 51973 1 294 . 1 . 1 81 81 PHE CA C 13 57.19778274 0 . 1 . . . . . 81 PHE CA . 51973 1 295 . 1 . 1 81 81 PHE CB C 13 40.01782691 0 . 1 . . . . . 81 PHE CB . 51973 1 296 . 1 . 1 81 81 PHE N N 15 108.5567169 0 . 1 . . . . . 81 PHE N . 51973 1 297 . 1 . 1 82 82 LEU H H 1 8.798542321 0 . 1 . . . . . 82 LEU H . 51973 1 298 . 1 . 1 82 82 LEU CA C 13 53.37284998 0 . 1 . . . . . 82 LEU CA . 51973 1 299 . 1 . 1 82 82 LEU CB C 13 44.54829931 0 . 1 . . . . . 82 LEU CB . 51973 1 300 . 1 . 1 82 82 LEU N N 15 122.5771655 0 . 1 . . . . . 82 LEU N . 51973 1 301 . 1 . 1 83 83 LEU H H 1 9.490999896 0 . 1 . . . . . 83 LEU H . 51973 1 302 . 1 . 1 83 83 LEU CA C 13 54.75354558 0 . 1 . . . . . 83 LEU CA . 51973 1 303 . 1 . 1 83 83 LEU CB C 13 43.00182171 0 . 1 . . . . . 83 LEU CB . 51973 1 304 . 1 . 1 83 83 LEU N N 15 128.0362399 0 . 1 . . . . . 83 LEU N . 51973 1 305 . 1 . 1 84 84 ASP H H 1 8.639881921 0 . 1 . . . . . 84 ASP H . 51973 1 306 . 1 . 1 84 84 ASP CA C 13 52.78831068 0 . 1 . . . . . 84 ASP CA . 51973 1 307 . 1 . 1 84 84 ASP CB C 13 43.31652947 0 . 1 . . . . . 84 ASP CB . 51973 1 308 . 1 . 1 84 84 ASP N N 15 124.0398826 0 . 1 . . . . . 84 ASP N . 51973 1 309 . 1 . 1 85 85 GLY H H 1 8.952427721 0 . 1 . . . . . 85 GLY H . 51973 1 310 . 1 . 1 85 85 GLY CA C 13 46.34006905 0 . 1 . . . . . 85 GLY CA . 51973 1 311 . 1 . 1 85 85 GLY N N 15 113.0720064 0 . 1 . . . . . 85 GLY N . 51973 1 312 . 1 . 1 86 86 PHE H H 1 7.311263185 0 . 1 . . . . . 86 PHE H . 51973 1 313 . 1 . 1 86 86 PHE CA C 13 55.7152136 0 . 1 . . . . . 86 PHE CA . 51973 1 314 . 1 . 1 86 86 PHE CB C 13 43.13355973 0 . 1 . . . . . 86 PHE CB . 51973 1 315 . 1 . 1 86 86 PHE N N 15 119.9881466 0 . 1 . . . . . 86 PHE N . 51973 1 316 . 1 . 1 88 88 ARG H H 1 8.549655416 0 . 1 . . . . . 88 ARG H . 51973 1 317 . 1 . 1 88 88 ARG CA C 13 62.21924963 0 . 1 . . . . . 88 ARG CA . 51973 1 318 . 1 . 1 88 88 ARG CB C 13 35.29955257 0 . 1 . . . . . 88 ARG CB . 51973 1 319 . 1 . 1 88 88 ARG N N 15 114.5021053 0 . 1 . . . . . 88 ARG N . 51973 1 320 . 1 . 1 89 89 THR H H 1 7.046578853 0 . 1 . . . . . 89 THR H . 51973 1 321 . 1 . 1 89 89 THR CA C 13 58.03476782 0 . 1 . . . . . 89 THR CA . 51973 1 322 . 1 . 1 89 89 THR CB C 13 72.23495404 0 . 1 . . . . . 89 THR CB . 51973 1 323 . 1 . 1 89 89 THR N N 15 106.9281044 0 . 1 . . . . . 89 THR N . 51973 1 324 . 1 . 1 90 90 ILE H H 1 8.976088692 0 . 1 . . . . . 90 ILE H . 51973 1 325 . 1 . 1 90 90 ILE CA C 13 66.33232663 0 . 1 . . . . . 90 ILE CA . 51973 1 326 . 1 . 1 90 90 ILE CB C 13 35.0190613 0 . 1 . . . . . 90 ILE CB . 51973 1 327 . 1 . 1 90 90 ILE N N 15 121.55693 0 . 1 . . . . . 90 ILE N . 51973 1 328 . 1 . 1 92 92 GLN H H 1 7.21804731 0 . 1 . . . . . 92 GLN H . 51973 1 329 . 1 . 1 92 92 GLN CB C 13 28.38315129 0 . 1 . . . . . 92 GLN CB . 51973 1 330 . 1 . 1 92 92 GLN N N 15 116.5416308 0 . 1 . . . . . 92 GLN N . 51973 1 331 . 1 . 1 93 93 ALA H H 1 7.680765723 0 . 1 . . . . . 93 ALA H . 51973 1 332 . 1 . 1 93 93 ALA CA C 13 55.68235661 0 . 1 . . . . . 93 ALA CA . 51973 1 333 . 1 . 1 93 93 ALA CB C 13 18.43560677 0 . 1 . . . . . 93 ALA CB . 51973 1 334 . 1 . 1 93 93 ALA N N 15 124.8220543 0 . 1 . . . . . 93 ALA N . 51973 1 335 . 1 . 1 94 94 ASP H H 1 8.769108512 0 . 1 . . . . . 94 ASP H . 51973 1 336 . 1 . 1 94 94 ASP CA C 13 57.224677 0 . 1 . . . . . 94 ASP CA . 51973 1 337 . 1 . 1 94 94 ASP CB C 13 40.54983539 0 . 1 . . . . . 94 ASP CB . 51973 1 338 . 1 . 1 94 94 ASP N N 15 119.615433 0 . 1 . . . . . 94 ASP N . 51973 1 339 . 1 . 1 95 95 ALA H H 1 8.02478932 0 . 1 . . . . . 95 ALA H . 51973 1 340 . 1 . 1 95 95 ALA CA C 13 54.86443602 0 . 1 . . . . . 95 ALA CA . 51973 1 341 . 1 . 1 95 95 ALA CB C 13 17.94542276 0 . 1 . . . . . 95 ALA CB . 51973 1 342 . 1 . 1 95 95 ALA N N 15 122.9510316 0 . 1 . . . . . 95 ALA N . 51973 1 343 . 1 . 1 96 96 MET H H 1 8.102595788 0 . 1 . . . . . 96 MET H . 51973 1 344 . 1 . 1 96 96 MET CA C 13 59.24913605 0 . 1 . . . . . 96 MET CA . 51973 1 345 . 1 . 1 96 96 MET CB C 13 33.91657284 0 . 1 . . . . . 96 MET CB . 51973 1 346 . 1 . 1 96 96 MET N N 15 120.2334073 0 . 1 . . . . . 96 MET N . 51973 1 347 . 1 . 1 97 97 LYS H H 1 7.532842147 0 . 1 . . . . . 97 LYS H . 51973 1 348 . 1 . 1 97 97 LYS CA C 13 59.86888005 0 . 1 . . . . . 97 LYS CA . 51973 1 349 . 1 . 1 97 97 LYS CB C 13 32.22970887 0 . 1 . . . . . 97 LYS CB . 51973 1 350 . 1 . 1 97 97 LYS N N 15 120.74829 0 . 1 . . . . . 97 LYS N . 51973 1 351 . 1 . 1 98 98 GLU H H 1 8.418676032 0 . 1 . . . . . 98 GLU H . 51973 1 352 . 1 . 1 98 98 GLU CA C 13 59.01785156 0 . 1 . . . . . 98 GLU CA . 51973 1 353 . 1 . 1 98 98 GLU CB C 13 29.43644013 0 . 1 . . . . . 98 GLU CB . 51973 1 354 . 1 . 1 98 98 GLU N N 15 121.2895342 0 . 1 . . . . . 98 GLU N . 51973 1 355 . 1 . 1 99 99 ALA H H 1 7.493553707 0 . 1 . . . . . 99 ALA H . 51973 1 356 . 1 . 1 99 99 ALA CA C 13 52.06526132 0 . 1 . . . . . 99 ALA CA . 51973 1 357 . 1 . 1 99 99 ALA CB C 13 19.07007392 0 . 1 . . . . . 99 ALA CB . 51973 1 358 . 1 . 1 99 99 ALA N N 15 118.7518506 0 . 1 . . . . . 99 ALA N . 51973 1 359 . 1 . 1 100 100 GLY H H 1 7.812965448 0 . 1 . . . . . 100 GLY H . 51973 1 360 . 1 . 1 100 100 GLY CA C 13 45.69122219 0 . 1 . . . . . 100 GLY CA . 51973 1 361 . 1 . 1 100 100 GLY N N 15 106.6202771 0 . 1 . . . . . 100 GLY N . 51973 1 362 . 1 . 1 101 101 ILE H H 1 8.042664919 0 . 1 . . . . . 101 ILE H . 51973 1 363 . 1 . 1 101 101 ILE CA C 13 60.85800283 0 . 1 . . . . . 101 ILE CA . 51973 1 364 . 1 . 1 101 101 ILE CB C 13 36.83379467 0 . 1 . . . . . 101 ILE CB . 51973 1 365 . 1 . 1 101 101 ILE N N 15 122.0914341 0 . 1 . . . . . 101 ILE N . 51973 1 366 . 1 . 1 102 102 ASN H H 1 7.853207994 0 . 1 . . . . . 102 ASN H . 51973 1 367 . 1 . 1 102 102 ASN CA C 13 52.6389874 0 . 1 . . . . . 102 ASN CA . 51973 1 368 . 1 . 1 102 102 ASN CB C 13 39.87508408 0 . 1 . . . . . 102 ASN CB . 51973 1 369 . 1 . 1 102 102 ASN N N 15 123.5901502 0 . 1 . . . . . 102 ASN N . 51973 1 370 . 1 . 1 103 103 VAL H H 1 8.349386964 0 . 1 . . . . . 103 VAL H . 51973 1 371 . 1 . 1 103 103 VAL CA C 13 60.39720246 0 . 1 . . . . . 103 VAL CA . 51973 1 372 . 1 . 1 103 103 VAL CB C 13 34.37937074 0 . 1 . . . . . 103 VAL CB . 51973 1 373 . 1 . 1 103 103 VAL N N 15 113.0459134 0 . 1 . . . . . 103 VAL N . 51973 1 374 . 1 . 1 104 104 ASP H H 1 8.505469066 0 . 1 . . . . . 104 ASP H . 51973 1 375 . 1 . 1 104 104 ASP N N 15 124.7480219 0 . 1 . . . . . 104 ASP N . 51973 1 376 . 1 . 1 105 105 TYR H H 1 7.553433301 0 . 1 . . . . . 105 TYR H . 51973 1 377 . 1 . 1 105 105 TYR CA C 13 57.10247695 0 . 1 . . . . . 105 TYR CA . 51973 1 378 . 1 . 1 105 105 TYR CB C 13 44.31740836 0 . 1 . . . . . 105 TYR CB . 51973 1 379 . 1 . 1 105 105 TYR N N 15 114.3309334 0 . 1 . . . . . 105 TYR N . 51973 1 380 . 1 . 1 106 106 VAL H H 1 8.929898106 0 . 1 . . . . . 106 VAL H . 51973 1 381 . 1 . 1 106 106 VAL CA C 13 62.16924623 0 . 1 . . . . . 106 VAL CA . 51973 1 382 . 1 . 1 106 106 VAL CB C 13 32.67141788 0 . 1 . . . . . 106 VAL CB . 51973 1 383 . 1 . 1 106 106 VAL N N 15 123.3859034 0 . 1 . . . . . 106 VAL N . 51973 1 384 . 1 . 1 107 107 LEU H H 1 8.878952515 0 . 1 . . . . . 107 LEU H . 51973 1 385 . 1 . 1 107 107 LEU CA C 13 51.55153693 0 . 1 . . . . . 107 LEU CA . 51973 1 386 . 1 . 1 107 107 LEU CB C 13 44.82545623 0 . 1 . . . . . 107 LEU CB . 51973 1 387 . 1 . 1 107 107 LEU N N 15 124.5677273 0 . 1 . . . . . 107 LEU N . 51973 1 388 . 1 . 1 108 108 GLU H H 1 8.723100323 0 . 1 . . . . . 108 GLU H . 51973 1 389 . 1 . 1 108 108 GLU CA C 13 53.9952112 0 . 1 . . . . . 108 GLU CA . 51973 1 390 . 1 . 1 108 108 GLU CB C 13 32.03461334 0 . 1 . . . . . 108 GLU CB . 51973 1 391 . 1 . 1 108 108 GLU N N 15 124.557073 0 . 1 . . . . . 108 GLU N . 51973 1 392 . 1 . 1 109 109 PHE H H 1 9.23245885 0 . 1 . . . . . 109 PHE H . 51973 1 393 . 1 . 1 109 109 PHE CA C 13 58.01831786 0 . 1 . . . . . 109 PHE CA . 51973 1 394 . 1 . 1 109 109 PHE CB C 13 39.95501687 0 . 1 . . . . . 109 PHE CB . 51973 1 395 . 1 . 1 109 109 PHE N N 15 130.7622299 0 . 1 . . . . . 109 PHE N . 51973 1 396 . 1 . 1 110 110 ASP H H 1 8.685405339 0 . 1 . . . . . 110 ASP H . 51973 1 397 . 1 . 1 110 110 ASP CA C 13 54.83587886 0 . 1 . . . . . 110 ASP CA . 51973 1 398 . 1 . 1 110 110 ASP CB C 13 44.5009219 0 . 1 . . . . . 110 ASP CB . 51973 1 399 . 1 . 1 110 110 ASP N N 15 128.7362482 0 . 1 . . . . . 110 ASP N . 51973 1 400 . 1 . 1 111 111 VAL H H 1 7.326971986 0 . 1 . . . . . 111 VAL H . 51973 1 401 . 1 . 1 111 111 VAL CA C 13 59.53161888 0 . 1 . . . . . 111 VAL CA . 51973 1 402 . 1 . 1 111 111 VAL CB C 13 36.5726894 0 . 1 . . . . . 111 VAL CB . 51973 1 403 . 1 . 1 111 111 VAL N N 15 125.9478701 0 . 1 . . . . . 111 VAL N . 51973 1 404 . 1 . 1 113 113 ASP H H 1 8.811962482 0 . 1 . . . . . 113 ASP H . 51973 1 405 . 1 . 1 113 113 ASP CA C 13 57.6898529 0 . 1 . . . . . 113 ASP CA . 51973 1 406 . 1 . 1 113 113 ASP CB C 13 40.89771021 0 . 1 . . . . . 113 ASP CB . 51973 1 407 . 1 . 1 113 113 ASP N N 15 124.0214999 0 . 1 . . . . . 113 ASP N . 51973 1 408 . 1 . 1 114 114 GLU H H 1 8.935421417 0 . 1 . . . . . 114 GLU H . 51973 1 409 . 1 . 1 114 114 GLU CA C 13 59.50792301 0 . 1 . . . . . 114 GLU CA . 51973 1 410 . 1 . 1 114 114 GLU CB C 13 28.70792414 0 . 1 . . . . . 114 GLU CB . 51973 1 411 . 1 . 1 114 114 GLU N N 15 114.4494159 0 . 1 . . . . . 114 GLU N . 51973 1 412 . 1 . 1 115 115 LEU H H 1 7.038226173 0 . 1 . . . . . 115 LEU H . 51973 1 413 . 1 . 1 115 115 LEU N N 15 119.1680884 0 . 1 . . . . . 115 LEU N . 51973 1 414 . 1 . 1 116 116 ILE H H 1 7.341080648 0 . 1 . . . . . 116 ILE H . 51973 1 415 . 1 . 1 116 116 ILE CA C 13 66.45706322 0 . 1 . . . . . 116 ILE CA . 51973 1 416 . 1 . 1 116 116 ILE CB C 13 37.88092044 0 . 1 . . . . . 116 ILE CB . 51973 1 417 . 1 . 1 116 116 ILE N N 15 120.8939419 0 . 1 . . . . . 116 ILE N . 51973 1 418 . 1 . 1 117 117 VAL H H 1 8.22948132 0 . 1 . . . . . 117 VAL H . 51973 1 419 . 1 . 1 117 117 VAL CA C 13 67.56594968 0 . 1 . . . . . 117 VAL CA . 51973 1 420 . 1 . 1 117 117 VAL CB C 13 31.8698132 0 . 1 . . . . . 117 VAL CB . 51973 1 421 . 1 . 1 117 117 VAL N N 15 117.0270974 0 . 1 . . . . . 117 VAL N . 51973 1 422 . 1 . 1 118 118 ASP H H 1 7.691778011 0 . 1 . . . . . 118 ASP H . 51973 1 423 . 1 . 1 118 118 ASP CA C 13 57.49499587 0 . 1 . . . . . 118 ASP CA . 51973 1 424 . 1 . 1 118 118 ASP CB C 13 41.95823556 0 . 1 . . . . . 118 ASP CB . 51973 1 425 . 1 . 1 118 118 ASP N N 15 117.0924283 0 . 1 . . . . . 118 ASP N . 51973 1 426 . 1 . 1 119 119 ARG H H 1 8.025549915 0 . 1 . . . . . 119 ARG H . 51973 1 427 . 1 . 1 119 119 ARG CA C 13 59.79559341 0 . 1 . . . . . 119 ARG CA . 51973 1 428 . 1 . 1 119 119 ARG CB C 13 30.59016508 0 . 1 . . . . . 119 ARG CB . 51973 1 429 . 1 . 1 119 119 ARG N N 15 116.8505886 0 . 1 . . . . . 119 ARG N . 51973 1 430 . 1 . 1 120 120 ILE H H 1 7.968759567 0 . 1 . . . . . 120 ILE H . 51973 1 431 . 1 . 1 120 120 ILE CA C 13 64.38412366 0 . 1 . . . . . 120 ILE CA . 51973 1 432 . 1 . 1 120 120 ILE CB C 13 39.15519257 0 . 1 . . . . . 120 ILE CB . 51973 1 433 . 1 . 1 120 120 ILE N N 15 119.0497828 0 . 1 . . . . . 120 ILE N . 51973 1 434 . 1 . 1 121 121 VAL H H 1 8.866216771 0 . 1 . . . . . 121 VAL H . 51973 1 435 . 1 . 1 121 121 VAL CA C 13 64.3975207 0 . 1 . . . . . 121 VAL CA . 51973 1 436 . 1 . 1 121 121 VAL CB C 13 31.0110284 0 . 1 . . . . . 121 VAL CB . 51973 1 437 . 1 . 1 121 121 VAL N N 15 115.2631076 0 . 1 . . . . . 121 VAL N . 51973 1 438 . 1 . 1 122 122 GLY H H 1 7.354159751 0 . 1 . . . . . 122 GLY H . 51973 1 439 . 1 . 1 122 122 GLY CA C 13 43.36418016 0 . 1 . . . . . 122 GLY CA . 51973 1 440 . 1 . 1 122 122 GLY N N 15 106.1245809 0 . 1 . . . . . 122 GLY N . 51973 1 441 . 1 . 1 123 123 ARG H H 1 7.611432644 0 . 1 . . . . . 123 ARG H . 51973 1 442 . 1 . 1 123 123 ARG CA C 13 57.65833641 0 . 1 . . . . . 123 ARG CA . 51973 1 443 . 1 . 1 123 123 ARG CB C 13 31.82406719 0 . 1 . . . . . 123 ARG CB . 51973 1 444 . 1 . 1 123 123 ARG N N 15 120.7872242 0 . 1 . . . . . 123 ARG N . 51973 1 445 . 1 . 1 124 124 ARG H H 1 8.791442649 0 . 1 . . . . . 124 ARG H . 51973 1 446 . 1 . 1 124 124 ARG CA C 13 53.08217754 0 . 1 . . . . . 124 ARG CA . 51973 1 447 . 1 . 1 124 124 ARG CB C 13 31.64493744 0 . 1 . . . . . 124 ARG CB . 51973 1 448 . 1 . 1 124 124 ARG N N 15 125.5756664 0 . 1 . . . . . 124 ARG N . 51973 1 449 . 1 . 1 125 125 VAL H H 1 9.233814247 0 . 1 . . . . . 125 VAL H . 51973 1 450 . 1 . 1 125 125 VAL CA C 13 59.4672644 0 . 1 . . . . . 125 VAL CA . 51973 1 451 . 1 . 1 125 125 VAL CB C 13 36.16128535 0 . 1 . . . . . 125 VAL CB . 51973 1 452 . 1 . 1 125 125 VAL N N 15 118.0362644 0 . 1 . . . . . 125 VAL N . 51973 1 453 . 1 . 1 126 126 HIS H H 1 9.12965052 0 . 1 . . . . . 126 HIS H . 51973 1 454 . 1 . 1 126 126 HIS CA C 13 59.46324552 0 . 1 . . . . . 126 HIS CA . 51973 1 455 . 1 . 1 126 126 HIS CB C 13 31.28147368 0 . 1 . . . . . 126 HIS CB . 51973 1 456 . 1 . 1 126 126 HIS N N 15 126.7646502 0 . 1 . . . . . 126 HIS N . 51973 1 457 . 1 . 1 127 127 ALA H H 1 8.993403526 0 . 1 . . . . . 127 ALA H . 51973 1 458 . 1 . 1 127 127 ALA CA C 13 56.10750832 0 . 1 . . . . . 127 ALA CA . 51973 1 459 . 1 . 1 127 127 ALA CB C 13 16.12477005 0 . 1 . . . . . 127 ALA CB . 51973 1 460 . 1 . 1 127 127 ALA N N 15 129.6449769 0 . 1 . . . . . 127 ALA N . 51973 1 461 . 1 . 1 129 129 SER H H 1 6.720530304 0 . 1 . . . . . 129 SER H . 51973 1 462 . 1 . 1 129 129 SER CA C 13 56.334 0 . 1 . . . . . 129 SER CA . 51973 1 463 . 1 . 1 129 129 SER CB C 13 65.248 0 . 1 . . . . . 129 SER CB . 51973 1 464 . 1 . 1 129 129 SER N N 15 107.4213332 0 . 1 . . . . . 129 SER N . 51973 1 465 . 1 . 1 130 130 GLY H H 1 8.531492651 0 . 1 . . . . . 130 GLY H . 51973 1 466 . 1 . 1 130 130 GLY CA C 13 45.27768348 0 . 1 . . . . . 130 GLY CA . 51973 1 467 . 1 . 1 130 130 GLY N N 15 113.0625876 0 . 1 . . . . . 130 GLY N . 51973 1 468 . 1 . 1 131 131 ARG H H 1 8.391026115 0 . 1 . . . . . 131 ARG H . 51973 1 469 . 1 . 1 131 131 ARG CA C 13 59.40869059 0 . 1 . . . . . 131 ARG CA . 51973 1 470 . 1 . 1 131 131 ARG CB C 13 32.96542878 0 . 1 . . . . . 131 ARG CB . 51973 1 471 . 1 . 1 131 131 ARG N N 15 122.1035454 0 . 1 . . . . . 131 ARG N . 51973 1 472 . 1 . 1 132 132 VAL H H 1 7.848324557 0 . 1 . . . . . 132 VAL H . 51973 1 473 . 1 . 1 132 132 VAL CA C 13 61.20078548 0 . 1 . . . . . 132 VAL CA . 51973 1 474 . 1 . 1 132 132 VAL CB C 13 34.45718196 0 . 1 . . . . . 132 VAL CB . 51973 1 475 . 1 . 1 132 132 VAL N N 15 119.9755395 0 . 1 . . . . . 132 VAL N . 51973 1 476 . 1 . 1 133 133 TYR H H 1 9.152871069 0 . 1 . . . . . 133 TYR H . 51973 1 477 . 1 . 1 133 133 TYR CA C 13 55.89800684 0 . 1 . . . . . 133 TYR CA . 51973 1 478 . 1 . 1 133 133 TYR CB C 13 42.36734978 0 . 1 . . . . . 133 TYR CB . 51973 1 479 . 1 . 1 133 133 TYR N N 15 124.3543956 0 . 1 . . . . . 133 TYR N . 51973 1 480 . 1 . 1 134 134 HIS H H 1 8.34794786 0 . 1 . . . . . 134 HIS H . 51973 1 481 . 1 . 1 134 134 HIS CA C 13 57.3529328 0 . 1 . . . . . 134 HIS CA . 51973 1 482 . 1 . 1 134 134 HIS CB C 13 34.17186936 0 . 1 . . . . . 134 HIS CB . 51973 1 483 . 1 . 1 134 134 HIS N N 15 120.8319431 0 . 1 . . . . . 134 HIS N . 51973 1 484 . 1 . 1 135 135 VAL H H 1 8.137228042 0 . 1 . . . . . 135 VAL H . 51973 1 485 . 1 . 1 135 135 VAL CA C 13 65.81196692 0 . 1 . . . . . 135 VAL CA . 51973 1 486 . 1 . 1 135 135 VAL CB C 13 31.41477719 0 . 1 . . . . . 135 VAL CB . 51973 1 487 . 1 . 1 135 135 VAL N N 15 120.8540801 0 . 1 . . . . . 135 VAL N . 51973 1 488 . 1 . 1 136 136 LYS H H 1 9.461409951 0 . 1 . . . . . 136 LYS H . 51973 1 489 . 1 . 1 136 136 LYS CA C 13 57.60548991 0 . 1 . . . . . 136 LYS CA . 51973 1 490 . 1 . 1 136 136 LYS CB C 13 34.90598421 0 . 1 . . . . . 136 LYS CB . 51973 1 491 . 1 . 1 136 136 LYS N N 15 119.974978 0 . 1 . . . . . 136 LYS N . 51973 1 492 . 1 . 1 137 137 PHE H H 1 8.111522559 0 . 1 . . . . . 137 PHE H . 51973 1 493 . 1 . 1 137 137 PHE CA C 13 58.4844788 0 . 1 . . . . . 137 PHE CA . 51973 1 494 . 1 . 1 137 137 PHE CB C 13 39.69835547 0 . 1 . . . . . 137 PHE CB . 51973 1 495 . 1 . 1 137 137 PHE N N 15 116.9367681 0 . 1 . . . . . 137 PHE N . 51973 1 496 . 1 . 1 138 138 ASN H H 1 8.54455357 0 . 1 . . . . . 138 ASN H . 51973 1 497 . 1 . 1 138 138 ASN CA C 13 52.53575358 0 . 1 . . . . . 138 ASN CA . 51973 1 498 . 1 . 1 138 138 ASN CB C 13 38.26406119 0 . 1 . . . . . 138 ASN CB . 51973 1 499 . 1 . 1 138 138 ASN N N 15 114.2502867 0 . 1 . . . . . 138 ASN N . 51973 1 500 . 1 . 1 141 141 LYS H H 1 10.03701212 0 . 1 . . . . . 141 LYS H . 51973 1 501 . 1 . 1 141 141 LYS CA C 13 62.2780707 0 . 1 . . . . . 141 LYS CA . 51973 1 502 . 1 . 1 141 141 LYS CB C 13 32.4303092 0 . 1 . . . . . 141 LYS CB . 51973 1 503 . 1 . 1 141 141 LYS N N 15 124.1200517 0 . 1 . . . . . 141 LYS N . 51973 1 504 . 1 . 1 142 142 VAL H H 1 8.775747468 0 . 1 . . . . . 142 VAL H . 51973 1 505 . 1 . 1 142 142 VAL CA C 13 61.36784668 0 . 1 . . . . . 142 VAL CA . 51973 1 506 . 1 . 1 142 142 VAL CB C 13 33.2641889 0 . 1 . . . . . 142 VAL CB . 51973 1 507 . 1 . 1 142 142 VAL N N 15 120.6786044 0 . 1 . . . . . 142 VAL N . 51973 1 508 . 1 . 1 143 143 GLU H H 1 8.068273608 0 . 1 . . . . . 143 GLU H . 51973 1 509 . 1 . 1 143 143 GLU CA C 13 58.40651261 0 . 1 . . . . . 143 GLU CA . 51973 1 510 . 1 . 1 143 143 GLU CB C 13 29.78394765 0 . 1 . . . . . 143 GLU CB . 51973 1 511 . 1 . 1 143 143 GLU N N 15 125.5174992 0 . 1 . . . . . 143 GLU N . 51973 1 512 . 1 . 1 144 144 GLY H H 1 8.828916256 0 . 1 . . . . . 144 GLY H . 51973 1 513 . 1 . 1 144 144 GLY CA C 13 45.59516033 0 . 1 . . . . . 144 GLY CA . 51973 1 514 . 1 . 1 144 144 GLY N N 15 111.7619506 0 . 1 . . . . . 144 GLY N . 51973 1 515 . 1 . 1 145 145 LYS H H 1 7.90925224 0 . 1 . . . . . 145 LYS H . 51973 1 516 . 1 . 1 145 145 LYS CA C 13 53.76707377 0 . 1 . . . . . 145 LYS CA . 51973 1 517 . 1 . 1 145 145 LYS CB C 13 36.10497339 0 . 1 . . . . . 145 LYS CB . 51973 1 518 . 1 . 1 145 145 LYS N N 15 119.3359728 0 . 1 . . . . . 145 LYS N . 51973 1 519 . 1 . 1 146 146 ASP H H 1 8.976669282 0 . 1 . . . . . 146 ASP H . 51973 1 520 . 1 . 1 146 146 ASP CA C 13 53.99283565 0 . 1 . . . . . 146 ASP CA . 51973 1 521 . 1 . 1 146 146 ASP CB C 13 43.79665272 0 . 1 . . . . . 146 ASP CB . 51973 1 522 . 1 . 1 146 146 ASP N N 15 119.9133582 0 . 1 . . . . . 146 ASP N . 51973 1 523 . 1 . 1 147 147 ASP H H 1 7.819255239 0 . 1 . . . . . 147 ASP H . 51973 1 524 . 1 . 1 147 147 ASP CA C 13 57.42417315 0 . 1 . . . . . 147 ASP CA . 51973 1 525 . 1 . 1 147 147 ASP CB C 13 40.54920573 0 . 1 . . . . . 147 ASP CB . 51973 1 526 . 1 . 1 147 147 ASP N N 15 127.0867438 0 . 1 . . . . . 147 ASP N . 51973 1 527 . 1 . 1 148 148 VAL H H 1 6.270961366 0 . 1 . . . . . 148 VAL H . 51973 1 528 . 1 . 1 148 148 VAL CA C 13 65.19240658 0 . 1 . . . . . 148 VAL CA . 51973 1 529 . 1 . 1 148 148 VAL CB C 13 32.7519528 0 . 1 . . . . . 148 VAL CB . 51973 1 530 . 1 . 1 148 148 VAL N N 15 114.9099278 0 . 1 . . . . . 148 VAL N . 51973 1 531 . 1 . 1 149 149 THR H H 1 7.402954571 0 . 1 . . . . . 149 THR H . 51973 1 532 . 1 . 1 149 149 THR CA C 13 49.15217523 0 . 1 . . . . . 149 THR CA . 51973 1 533 . 1 . 1 149 149 THR CB C 13 73.19215478 0 . 1 . . . . . 149 THR CB . 51973 1 534 . 1 . 1 149 149 THR N N 15 105.5062605 0 . 1 . . . . . 149 THR N . 51973 1 535 . 1 . 1 150 150 GLY H H 1 7.790939036 0 . 1 . . . . . 150 GLY H . 51973 1 536 . 1 . 1 150 150 GLY CA C 13 45.89881652 0 . 1 . . . . . 150 GLY CA . 51973 1 537 . 1 . 1 150 150 GLY N N 15 111.0947641 0 . 1 . . . . . 150 GLY N . 51973 1 538 . 1 . 1 151 151 GLU H H 1 7.596456267 0 . 1 . . . . . 151 GLU H . 51973 1 539 . 1 . 1 151 151 GLU CA C 13 55.8423007 0 . 1 . . . . . 151 GLU CA . 51973 1 540 . 1 . 1 151 151 GLU CB C 13 31.3982238 0 . 1 . . . . . 151 GLU CB . 51973 1 541 . 1 . 1 151 151 GLU N N 15 118.6202377 0 . 1 . . . . . 151 GLU N . 51973 1 542 . 1 . 1 152 152 GLU H H 1 8.621573423 0 . 1 . . . . . 152 GLU H . 51973 1 543 . 1 . 1 152 152 GLU CA C 13 57.6527099 0 . 1 . . . . . 152 GLU CA . 51973 1 544 . 1 . 1 152 152 GLU CB C 13 30.55929725 0 . 1 . . . . . 152 GLU CB . 51973 1 545 . 1 . 1 152 152 GLU N N 15 119.624404 0 . 1 . . . . . 152 GLU N . 51973 1 546 . 1 . 1 153 153 LEU H H 1 7.845296626 0 . 1 . . . . . 153 LEU H . 51973 1 547 . 1 . 1 153 153 LEU CA C 13 53.28460447 0 . 1 . . . . . 153 LEU CA . 51973 1 548 . 1 . 1 153 153 LEU CB C 13 43.39015241 0 . 1 . . . . . 153 LEU CB . 51973 1 549 . 1 . 1 153 153 LEU N N 15 120.90952 0 . 1 . . . . . 153 LEU N . 51973 1 550 . 1 . 1 154 154 THR H H 1 9.249141085 0 . 1 . . . . . 154 THR H . 51973 1 551 . 1 . 1 154 154 THR CA C 13 60.19138229 0 . 1 . . . . . 154 THR CA . 51973 1 552 . 1 . 1 154 154 THR CB C 13 71.93441728 0 . 1 . . . . . 154 THR CB . 51973 1 553 . 1 . 1 154 154 THR N N 15 114.3553678 0 . 1 . . . . . 154 THR N . 51973 1 554 . 1 . 1 155 155 THR H H 1 8.317035033 0 . 1 . . . . . 155 THR H . 51973 1 555 . 1 . 1 155 155 THR CA C 13 60.89942944 0 . 1 . . . . . 155 THR CA . 51973 1 556 . 1 . 1 155 155 THR CB C 13 70.18692315 0 . 1 . . . . . 155 THR CB . 51973 1 557 . 1 . 1 155 155 THR N N 15 115.8704773 0 . 1 . . . . . 155 THR N . 51973 1 558 . 1 . 1 156 156 ARG H H 1 9.741816855 0 . 1 . . . . . 156 ARG H . 51973 1 559 . 1 . 1 156 156 ARG CA C 13 56.20209858 0 . 1 . . . . . 156 ARG CA . 51973 1 560 . 1 . 1 156 156 ARG CB C 13 30.22124423 0 . 1 . . . . . 156 ARG CB . 51973 1 561 . 1 . 1 156 156 ARG N N 15 127.4244569 0 . 1 . . . . . 156 ARG N . 51973 1 562 . 1 . 1 157 157 LYS H H 1 8.801558211 0 . 1 . . . . . 157 LYS H . 51973 1 563 . 1 . 1 157 157 LYS CA C 13 52.99562214 0 . 1 . . . . . 157 LYS CA . 51973 1 564 . 1 . 1 157 157 LYS CB C 13 35.83786723 0 . 1 . . . . . 157 LYS CB . 51973 1 565 . 1 . 1 157 157 LYS N N 15 125.6908643 0 . 1 . . . . . 157 LYS N . 51973 1 566 . 1 . 1 158 158 ASP H H 1 8.314807118 0 . 1 . . . . . 158 ASP H . 51973 1 567 . 1 . 1 158 158 ASP CA C 13 55.79369258 0 . 1 . . . . . 158 ASP CA . 51973 1 568 . 1 . 1 158 158 ASP CB C 13 40.73006228 0 . 1 . . . . . 158 ASP CB . 51973 1 569 . 1 . 1 158 158 ASP N N 15 114.5311996 0 . 1 . . . . . 158 ASP N . 51973 1 570 . 1 . 1 159 159 ASP H H 1 7.359927448 0 . 1 . . . . . 159 ASP H . 51973 1 571 . 1 . 1 159 159 ASP CA C 13 53.52006086 0 . 1 . . . . . 159 ASP CA . 51973 1 572 . 1 . 1 159 159 ASP CB C 13 40.74433466 0 . 1 . . . . . 159 ASP CB . 51973 1 573 . 1 . 1 159 159 ASP N N 15 116.5588919 0 . 1 . . . . . 159 ASP N . 51973 1 574 . 1 . 1 160 160 GLN H H 1 6.966819906 0 . 1 . . . . . 160 GLN H . 51973 1 575 . 1 . 1 160 160 GLN CA C 13 55.82921612 0 . 1 . . . . . 160 GLN CA . 51973 1 576 . 1 . 1 160 160 GLN CB C 13 29.3058046 0 . 1 . . . . . 160 GLN CB . 51973 1 577 . 1 . 1 160 160 GLN N N 15 117.331239 0 . 1 . . . . . 160 GLN N . 51973 1 578 . 1 . 1 161 161 GLU H H 1 9.118873354 0 . 1 . . . . . 161 GLU H . 51973 1 579 . 1 . 1 161 161 GLU CA C 13 61.5010396 0 . 1 . . . . . 161 GLU CA . 51973 1 580 . 1 . 1 161 161 GLU CB C 13 29.34100317 0 . 1 . . . . . 161 GLU CB . 51973 1 581 . 1 . 1 161 161 GLU N N 15 124.5194603 0 . 1 . . . . . 161 GLU N . 51973 1 582 . 1 . 1 162 162 GLU H H 1 9.183709931 0 . 1 . . . . . 162 GLU H . 51973 1 583 . 1 . 1 162 162 GLU CA C 13 59.9057416 0 . 1 . . . . . 162 GLU CA . 51973 1 584 . 1 . 1 162 162 GLU CB C 13 29.26049209 0 . 1 . . . . . 162 GLU CB . 51973 1 585 . 1 . 1 162 162 GLU N N 15 116.4440511 0 . 1 . . . . . 162 GLU N . 51973 1 586 . 1 . 1 163 163 THR H H 1 7.118266467 0 . 1 . . . . . 163 THR H . 51973 1 587 . 1 . 1 163 163 THR CA C 13 59.5288474 0 . 1 . . . . . 163 THR CA . 51973 1 588 . 1 . 1 163 163 THR CB C 13 68.83537412 0 . 1 . . . . . 163 THR CB . 51973 1 589 . 1 . 1 163 163 THR N N 15 116.2551424 0 . 1 . . . . . 163 THR N . 51973 1 590 . 1 . 1 164 164 VAL H H 1 8.173969345 0 . 1 . . . . . 164 VAL H . 51973 1 591 . 1 . 1 164 164 VAL CA C 13 66.62377143 0 . 1 . . . . . 164 VAL CA . 51973 1 592 . 1 . 1 164 164 VAL CB C 13 32.1814299 0 . 1 . . . . . 164 VAL CB . 51973 1 593 . 1 . 1 164 164 VAL N N 15 123.0536217 0 . 1 . . . . . 164 VAL N . 51973 1 594 . 1 . 1 165 165 ARG H H 1 8.687101724 0 . 1 . . . . . 165 ARG H . 51973 1 595 . 1 . 1 165 165 ARG CA C 13 60.91909212 0 . 1 . . . . . 165 ARG CA . 51973 1 596 . 1 . 1 165 165 ARG CB C 13 29.57318776 0 . 1 . . . . . 165 ARG CB . 51973 1 597 . 1 . 1 165 165 ARG N N 15 116.8303981 0 . 1 . . . . . 165 ARG N . 51973 1 598 . 1 . 1 166 166 LYS H H 1 7.660971842 0 . 1 . . . . . 166 LYS H . 51973 1 599 . 1 . 1 166 166 LYS CA C 13 59.84866642 0 . 1 . . . . . 166 LYS CA . 51973 1 600 . 1 . 1 166 166 LYS CB C 13 32.44399961 0 . 1 . . . . . 166 LYS CB . 51973 1 601 . 1 . 1 166 166 LYS N N 15 120.0906344 0 . 1 . . . . . 166 LYS N . 51973 1 602 . 1 . 1 167 167 ARG H H 1 7.968759567 0 . 1 . . . . . 167 ARG H . 51973 1 603 . 1 . 1 167 167 ARG CA C 13 59.27024355 0 . 1 . . . . . 167 ARG CA . 51973 1 604 . 1 . 1 167 167 ARG CB C 13 30.18019685 0 . 1 . . . . . 167 ARG CB . 51973 1 605 . 1 . 1 167 167 ARG N N 15 118.6892467 0 . 1 . . . . . 167 ARG N . 51973 1 606 . 1 . 1 168 168 LEU H H 1 8.080572198 0 . 1 . . . . . 168 LEU H . 51973 1 607 . 1 . 1 168 168 LEU CA C 13 58.31055026 0 . 1 . . . . . 168 LEU CA . 51973 1 608 . 1 . 1 168 168 LEU CB C 13 41.19553632 0 . 1 . . . . . 168 LEU CB . 51973 1 609 . 1 . 1 168 168 LEU N N 15 121.4293718 0 . 1 . . . . . 168 LEU N . 51973 1 610 . 1 . 1 169 169 VAL H H 1 8.154524688 0 . 1 . . . . . 169 VAL H . 51973 1 611 . 1 . 1 169 169 VAL CA C 13 67.1381708 0 . 1 . . . . . 169 VAL CA . 51973 1 612 . 1 . 1 169 169 VAL CB C 13 31.44115541 0 . 1 . . . . . 169 VAL CB . 51973 1 613 . 1 . 1 169 169 VAL N N 15 121.1927916 0 . 1 . . . . . 169 VAL N . 51973 1 614 . 1 . 1 170 170 GLU H H 1 7.915951969 0 . 1 . . . . . 170 GLU H . 51973 1 615 . 1 . 1 170 170 GLU CA C 13 59.33725556 0 . 1 . . . . . 170 GLU CA . 51973 1 616 . 1 . 1 170 170 GLU CB C 13 29.39110435 0 . 1 . . . . . 170 GLU CB . 51973 1 617 . 1 . 1 170 170 GLU N N 15 119.2153508 0 . 1 . . . . . 170 GLU N . 51973 1 618 . 1 . 1 171 171 TYR H H 1 8.176440628 0 . 1 . . . . . 171 TYR H . 51973 1 619 . 1 . 1 171 171 TYR CA C 13 60.22353568 0 . 1 . . . . . 171 TYR CA . 51973 1 620 . 1 . 1 171 171 TYR CB C 13 33.9217771 0 . 1 . . . . . 171 TYR CB . 51973 1 621 . 1 . 1 171 171 TYR N N 15 120.0009542 0 . 1 . . . . . 171 TYR N . 51973 1 622 . 1 . 1 172 172 HIS H H 1 8.775747172 0 . 1 . . . . . 172 HIS H . 51973 1 623 . 1 . 1 172 172 HIS CA C 13 59.62289148 0 . 1 . . . . . 172 HIS CA . 51973 1 624 . 1 . 1 172 172 HIS CB C 13 28.38765911 0 . 1 . . . . . 172 HIS CB . 51973 1 625 . 1 . 1 172 172 HIS N N 15 120.5483514 0 . 1 . . . . . 172 HIS N . 51973 1 626 . 1 . 1 173 173 GLN H H 1 8.45756443 0 . 1 . . . . . 173 GLN H . 51973 1 627 . 1 . 1 173 173 GLN CA C 13 59.19075384 0 . 1 . . . . . 173 GLN CA . 51973 1 628 . 1 . 1 173 173 GLN CB C 13 28.47605272 0 . 1 . . . . . 173 GLN CB . 51973 1 629 . 1 . 1 173 173 GLN N N 15 118.8970551 0 . 1 . . . . . 173 GLN N . 51973 1 630 . 1 . 1 174 174 MET H H 1 7.722389631 0 . 1 . . . . . 174 MET H . 51973 1 631 . 1 . 1 174 174 MET CA C 13 57.66305881 0 . 1 . . . . . 174 MET CA . 51973 1 632 . 1 . 1 174 174 MET CB C 13 33.38238438 0 . 1 . . . . . 174 MET CB . 51973 1 633 . 1 . 1 174 174 MET N N 15 115.6064228 0 . 1 . . . . . 174 MET N . 51973 1 634 . 1 . 1 175 175 THR H H 1 8.138991596 0 . 1 . . . . . 175 THR H . 51973 1 635 . 1 . 1 175 175 THR CA C 13 65.53503234 0 . 1 . . . . . 175 THR CA . 51973 1 636 . 1 . 1 175 175 THR CB C 13 69.10805542 0 . 1 . . . . . 175 THR CB . 51973 1 637 . 1 . 1 175 175 THR N N 15 113.2910887 0 . 1 . . . . . 175 THR N . 51973 1 638 . 1 . 1 176 176 ALA H H 1 8.363854487 0 . 1 . . . . . 176 ALA H . 51973 1 639 . 1 . 1 176 176 ALA CA C 13 57.5660286 0 . 1 . . . . . 176 ALA CA . 51973 1 640 . 1 . 1 176 176 ALA CB C 13 15.34673483 0 . 1 . . . . . 176 ALA CB . 51973 1 641 . 1 . 1 176 176 ALA N N 15 126.0294024 0 . 1 . . . . . 176 ALA N . 51973 1 642 . 1 . 1 178 178 LEU H H 1 6.867690176 0 . 1 . . . . . 178 LEU H . 51973 1 643 . 1 . 1 178 178 LEU CA C 13 57.18067211 0 . 1 . . . . . 178 LEU CA . 51973 1 644 . 1 . 1 178 178 LEU N N 15 119.2366939 0 . 1 . . . . . 178 LEU N . 51973 1 645 . 1 . 1 179 179 ILE H H 1 8.388654375 0 . 1 . . . . . 179 ILE H . 51973 1 646 . 1 . 1 179 179 ILE CA C 13 57.44790171 0 . 1 . . . . . 179 ILE CA . 51973 1 647 . 1 . 1 179 179 ILE CB C 13 36.77946711 0 . 1 . . . . . 179 ILE CB . 51973 1 648 . 1 . 1 179 179 ILE N N 15 121.105019 0 . 1 . . . . . 179 ILE N . 51973 1 649 . 1 . 1 180 180 GLY H H 1 7.820277691 0 . 1 . . . . . 180 GLY H . 51973 1 650 . 1 . 1 180 180 GLY CA C 13 47.49356503 0 . 1 . . . . . 180 GLY CA . 51973 1 651 . 1 . 1 180 180 GLY N N 15 107.651391 0 . 1 . . . . . 180 GLY N . 51973 1 652 . 1 . 1 181 181 TYR H H 1 7.876164704 0 . 1 . . . . . 181 TYR H . 51973 1 653 . 1 . 1 181 181 TYR CA C 13 52.67843658 0 . 1 . . . . . 181 TYR CA . 51973 1 654 . 1 . 1 181 181 TYR CB C 13 39.67867258 0 . 1 . . . . . 181 TYR CB . 51973 1 655 . 1 . 1 181 181 TYR N N 15 123.8072325 0 . 1 . . . . . 181 TYR N . 51973 1 656 . 1 . 1 182 182 TYR H H 1 8.847332712 0 . 1 . . . . . 182 TYR H . 51973 1 657 . 1 . 1 182 182 TYR CA C 13 63.32193844 0 . 1 . . . . . 182 TYR CA . 51973 1 658 . 1 . 1 182 182 TYR CB C 13 37.4450406 0 . 1 . . . . . 182 TYR CB . 51973 1 659 . 1 . 1 182 182 TYR N N 15 118.7229428 0 . 1 . . . . . 182 TYR N . 51973 1 660 . 1 . 1 183 183 SER H H 1 8.440378944 0 . 1 . . . . . 183 SER H . 51973 1 661 . 1 . 1 183 183 SER CA C 13 62.27227493 0 . 1 . . . . . 183 SER CA . 51973 1 662 . 1 . 1 183 183 SER N N 15 117.2787342 0 . 1 . . . . . 183 SER N . 51973 1 663 . 1 . 1 184 184 LYS H H 1 7.386891907 0 . 1 . . . . . 184 LYS H . 51973 1 664 . 1 . 1 184 184 LYS CA C 13 59.11235595 0 . 1 . . . . . 184 LYS CA . 51973 1 665 . 1 . 1 184 184 LYS CB C 13 31.38028316 0 . 1 . . . . . 184 LYS CB . 51973 1 666 . 1 . 1 184 184 LYS N N 15 123.5282444 0 . 1 . . . . . 184 LYS N . 51973 1 667 . 1 . 1 185 185 GLU H H 1 7.919881858 0 . 1 . . . . . 185 GLU H . 51973 1 668 . 1 . 1 185 185 GLU CA C 13 58.88573675 0 . 1 . . . . . 185 GLU CA . 51973 1 669 . 1 . 1 185 185 GLU CB C 13 30.40761034 0 . 1 . . . . . 185 GLU CB . 51973 1 670 . 1 . 1 185 185 GLU N N 15 120.821546 0 . 1 . . . . . 185 GLU N . 51973 1 671 . 1 . 1 186 186 ALA H H 1 8.301332772 0 . 1 . . . . . 186 ALA H . 51973 1 672 . 1 . 1 186 186 ALA CA C 13 54.23037147 0 . 1 . . . . . 186 ALA CA . 51973 1 673 . 1 . 1 186 186 ALA CB C 13 18.87411022 0 . 1 . . . . . 186 ALA CB . 51973 1 674 . 1 . 1 186 186 ALA N N 15 122.87019 0 . 1 . . . . . 186 ALA N . 51973 1 675 . 1 . 1 187 187 GLU H H 1 7.917243802 0 . 1 . . . . . 187 GLU H . 51973 1 676 . 1 . 1 187 187 GLU CA C 13 59.36381864 0 . 1 . . . . . 187 GLU CA . 51973 1 677 . 1 . 1 187 187 GLU CB C 13 29.37137641 0 . 1 . . . . . 187 GLU CB . 51973 1 678 . 1 . 1 187 187 GLU N N 15 122.0061427 0 . 1 . . . . . 187 GLU N . 51973 1 679 . 1 . 1 188 188 ALA H H 1 7.421266181 0 . 1 . . . . . 188 ALA H . 51973 1 680 . 1 . 1 188 188 ALA CA C 13 52.3716809 0 . 1 . . . . . 188 ALA CA . 51973 1 681 . 1 . 1 188 188 ALA CB C 13 19.07138095 0 . 1 . . . . . 188 ALA CB . 51973 1 682 . 1 . 1 188 188 ALA N N 15 118.7084764 0 . 1 . . . . . 188 ALA N . 51973 1 683 . 1 . 1 189 189 GLY H H 1 7.754857846 0 . 1 . . . . . 189 GLY H . 51973 1 684 . 1 . 1 189 189 GLY CA C 13 45.02745422 0 . 1 . . . . . 189 GLY CA . 51973 1 685 . 1 . 1 189 189 GLY N N 15 105.2503393 0 . 1 . . . . . 189 GLY N . 51973 1 686 . 1 . 1 190 190 ASN H H 1 8.100469329 0 . 1 . . . . . 190 ASN H . 51973 1 687 . 1 . 1 190 190 ASN CA C 13 54.08784894 0 . 1 . . . . . 190 ASN CA . 51973 1 688 . 1 . 1 190 190 ASN CB C 13 39.46841204 0 . 1 . . . . . 190 ASN CB . 51973 1 689 . 1 . 1 190 190 ASN N N 15 117.171217 0 . 1 . . . . . 190 ASN N . 51973 1 690 . 1 . 1 191 191 THR H H 1 7.466611844 0 . 1 . . . . . 191 THR H . 51973 1 691 . 1 . 1 191 191 THR CA C 13 61.30574372 0 . 1 . . . . . 191 THR CA . 51973 1 692 . 1 . 1 191 191 THR CB C 13 68.68157164 0 . 1 . . . . . 191 THR CB . 51973 1 693 . 1 . 1 191 191 THR N N 15 113.158351 0 . 1 . . . . . 191 THR N . 51973 1 694 . 1 . 1 192 192 LYS H H 1 7.782216242 0 . 1 . . . . . 192 LYS H . 51973 1 695 . 1 . 1 192 192 LYS CA C 13 55.82257124 0 . 1 . . . . . 192 LYS CA . 51973 1 696 . 1 . 1 192 192 LYS CB C 13 34.49809578 0 . 1 . . . . . 192 LYS CB . 51973 1 697 . 1 . 1 192 192 LYS N N 15 122.5224277 0 . 1 . . . . . 192 LYS N . 51973 1 698 . 1 . 1 193 193 TYR H H 1 8.260037284 0 . 1 . . . . . 193 TYR H . 51973 1 699 . 1 . 1 193 193 TYR CA C 13 55.70083628 0 . 1 . . . . . 193 TYR CA . 51973 1 700 . 1 . 1 193 193 TYR CB C 13 42.11685339 0 . 1 . . . . . 193 TYR CB . 51973 1 701 . 1 . 1 193 193 TYR N N 15 123.9114614 0 . 1 . . . . . 193 TYR N . 51973 1 702 . 1 . 1 194 194 ALA H H 1 8.242214896 0 . 1 . . . . . 194 ALA H . 51973 1 703 . 1 . 1 194 194 ALA CA C 13 51.67647029 0 . 1 . . . . . 194 ALA CA . 51973 1 704 . 1 . 1 194 194 ALA CB C 13 22.74778626 0 . 1 . . . . . 194 ALA CB . 51973 1 705 . 1 . 1 194 194 ALA N N 15 130.1887626 0 . 1 . . . . . 194 ALA N . 51973 1 706 . 1 . 1 195 195 LYS H H 1 8.262139261 0 . 1 . . . . . 195 LYS H . 51973 1 707 . 1 . 1 195 195 LYS CA C 13 55.21890513 0 . 1 . . . . . 195 LYS CA . 51973 1 708 . 1 . 1 195 195 LYS CB C 13 34.04719464 0 . 1 . . . . . 195 LYS CB . 51973 1 709 . 1 . 1 195 195 LYS N N 15 122.5893609 0 . 1 . . . . . 195 LYS N . 51973 1 710 . 1 . 1 196 196 VAL H H 1 9.030036433 0 . 1 . . . . . 196 VAL H . 51973 1 711 . 1 . 1 196 196 VAL CA C 13 60.06805409 0 . 1 . . . . . 196 VAL CA . 51973 1 712 . 1 . 1 196 196 VAL CB C 13 34.25362412 0 . 1 . . . . . 196 VAL CB . 51973 1 713 . 1 . 1 196 196 VAL N N 15 125.4038461 0 . 1 . . . . . 196 VAL N . 51973 1 714 . 1 . 1 197 197 ASP H H 1 8.670252689 0 . 1 . . . . . 197 ASP H . 51973 1 715 . 1 . 1 197 197 ASP CA C 13 53.02582499 0 . 1 . . . . . 197 ASP CA . 51973 1 716 . 1 . 1 197 197 ASP CB C 13 40.1097721 0 . 1 . . . . . 197 ASP CB . 51973 1 717 . 1 . 1 197 197 ASP N N 15 124.6203515 0 . 1 . . . . . 197 ASP N . 51973 1 718 . 1 . 1 198 198 GLY H H 1 8.334161356 0 . 1 . . . . . 198 GLY H . 51973 1 719 . 1 . 1 198 198 GLY CA C 13 46.36013003 0 . 1 . . . . . 198 GLY CA . 51973 1 720 . 1 . 1 198 198 GLY N N 15 112.1005557 0 . 1 . . . . . 198 GLY N . 51973 1 721 . 1 . 1 199 199 THR H H 1 8.586053616 0 . 1 . . . . . 199 THR H . 51973 1 722 . 1 . 1 199 199 THR CA C 13 62.97385373 0 . 1 . . . . . 199 THR CA . 51973 1 723 . 1 . 1 199 199 THR CB C 13 69.16361199 0 . 1 . . . . . 199 THR CB . 51973 1 724 . 1 . 1 199 199 THR N N 15 111.7816841 0 . 1 . . . . . 199 THR N . 51973 1 725 . 1 . 1 200 200 LYS H H 1 6.500436101 0 . 1 . . . . . 200 LYS H . 51973 1 726 . 1 . 1 200 200 LYS CA C 13 55.66834182 0 . 1 . . . . . 200 LYS CA . 51973 1 727 . 1 . 1 200 200 LYS CB C 13 31.49368462 0 . 1 . . . . . 200 LYS CB . 51973 1 728 . 1 . 1 200 200 LYS N N 15 121.6035803 0 . 1 . . . . . 200 LYS N . 51973 1 729 . 1 . 1 202 202 VAL H H 1 8.388994313 0 . 1 . . . . . 202 VAL H . 51973 1 730 . 1 . 1 202 202 VAL CA C 13 66.89651832 0 . 1 . . . . . 202 VAL CA . 51973 1 731 . 1 . 1 202 202 VAL CB C 13 32.17702225 0 . 1 . . . . . 202 VAL CB . 51973 1 732 . 1 . 1 202 202 VAL N N 15 123.4678543 0 . 1 . . . . . 202 VAL N . 51973 1 733 . 1 . 1 203 203 ALA H H 1 8.768258112 0 . 1 . . . . . 203 ALA H . 51973 1 734 . 1 . 1 203 203 ALA CA C 13 55.24399865 0 . 1 . . . . . 203 ALA CA . 51973 1 735 . 1 . 1 203 203 ALA CB C 13 18.58212281 0 . 1 . . . . . 203 ALA CB . 51973 1 736 . 1 . 1 203 203 ALA N N 15 119.4851856 0 . 1 . . . . . 203 ALA N . 51973 1 737 . 1 . 1 204 204 GLU H H 1 7.332738536 0 . 1 . . . . . 204 GLU H . 51973 1 738 . 1 . 1 204 204 GLU CA C 13 58.59923737 0 . 1 . . . . . 204 GLU CA . 51973 1 739 . 1 . 1 204 204 GLU CB C 13 30.19143062 0 . 1 . . . . . 204 GLU CB . 51973 1 740 . 1 . 1 204 204 GLU N N 15 117.7935989 0 . 1 . . . . . 204 GLU N . 51973 1 741 . 1 . 1 205 205 VAL H H 1 7.798870183 0 . 1 . . . . . 205 VAL H . 51973 1 742 . 1 . 1 205 205 VAL CA C 13 66.48037866 0 . 1 . . . . . 205 VAL CA . 51973 1 743 . 1 . 1 205 205 VAL CB C 13 31.73185964 0 . 1 . . . . . 205 VAL CB . 51973 1 744 . 1 . 1 205 205 VAL N N 15 121.1513651 0 . 1 . . . . . 205 VAL N . 51973 1 745 . 1 . 1 206 206 ARG H H 1 7.887638688 0 . 1 . . . . . 206 ARG H . 51973 1 746 . 1 . 1 206 206 ARG CA C 13 59.780014 0 . 1 . . . . . 206 ARG CA . 51973 1 747 . 1 . 1 206 206 ARG CB C 13 29.88894405 0 . 1 . . . . . 206 ARG CB . 51973 1 748 . 1 . 1 206 206 ARG N N 15 118.3031492 0 . 1 . . . . . 206 ARG N . 51973 1 749 . 1 . 1 207 207 ALA H H 1 7.165775584 0 . 1 . . . . . 207 ALA H . 51973 1 750 . 1 . 1 207 207 ALA CA C 13 55.21964212 0 . 1 . . . . . 207 ALA CA . 51973 1 751 . 1 . 1 207 207 ALA CB C 13 17.72596161 0 . 1 . . . . . 207 ALA CB . 51973 1 752 . 1 . 1 207 207 ALA N N 15 120.4090414 0 . 1 . . . . . 207 ALA N . 51973 1 753 . 1 . 1 208 208 ASP H H 1 8.19013484 0 . 1 . . . . . 208 ASP H . 51973 1 754 . 1 . 1 208 208 ASP CA C 13 57.64330304 0 . 1 . . . . . 208 ASP CA . 51973 1 755 . 1 . 1 208 208 ASP CB C 13 39.5454075 0 . 1 . . . . . 208 ASP CB . 51973 1 756 . 1 . 1 208 208 ASP N N 15 121.3046918 0 . 1 . . . . . 208 ASP N . 51973 1 757 . 1 . 1 209 209 LEU H H 1 8.469635858 0 . 1 . . . . . 209 LEU H . 51973 1 758 . 1 . 1 209 209 LEU CA C 13 58.04209005 0 . 1 . . . . . 209 LEU CA . 51973 1 759 . 1 . 1 209 209 LEU CB C 13 41.91215549 0 . 1 . . . . . 209 LEU CB . 51973 1 760 . 1 . 1 209 209 LEU N N 15 120.5504991 0 . 1 . . . . . 209 LEU N . 51973 1 761 . 1 . 1 210 210 GLU H H 1 8.390395555 0 . 1 . . . . . 210 GLU H . 51973 1 762 . 1 . 1 210 210 GLU CA C 13 59.74179372 0 . 1 . . . . . 210 GLU CA . 51973 1 763 . 1 . 1 210 210 GLU CB C 13 29.62889299 0 . 1 . . . . . 210 GLU CB . 51973 1 764 . 1 . 1 210 210 GLU N N 15 118.982856 0 . 1 . . . . . 210 GLU N . 51973 1 765 . 1 . 1 211 211 LYS H H 1 7.595605875 0 . 1 . . . . . 211 LYS H . 51973 1 766 . 1 . 1 211 211 LYS CA C 13 59.05864135 0 . 1 . . . . . 211 LYS CA . 51973 1 767 . 1 . 1 211 211 LYS CB C 13 32.44760936 0 . 1 . . . . . 211 LYS CB . 51973 1 768 . 1 . 1 211 211 LYS N N 15 118.9502038 0 . 1 . . . . . 211 LYS N . 51973 1 769 . 1 . 1 212 212 ILE H H 1 7.535474978 0 . 1 . . . . . 212 ILE H . 51973 1 770 . 1 . 1 212 212 ILE CA C 13 64.47562284 0 . 1 . . . . . 212 ILE CA . 51973 1 771 . 1 . 1 212 212 ILE CB C 13 39.73949176 0 . 1 . . . . . 212 ILE CB . 51973 1 772 . 1 . 1 212 212 ILE N N 15 119.2880737 0 . 1 . . . . . 212 ILE N . 51973 1 773 . 1 . 1 213 213 LEU H H 1 8.042554885 0 . 1 . . . . . 213 LEU H . 51973 1 774 . 1 . 1 213 213 LEU CA C 13 55.96236609 0 . 1 . . . . . 213 LEU CA . 51973 1 775 . 1 . 1 213 213 LEU CB C 13 41.43529504 0 . 1 . . . . . 213 LEU CB . 51973 1 776 . 1 . 1 213 213 LEU N N 15 117.0937208 0 . 1 . . . . . 213 LEU N . 51973 1 stop_ save_