data_26597 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26597 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the N-terminal active domain of the gyrase B subunit of Pseudomonas aeruginosa ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-07-05 _Entry.Accession_date 2015-07-05 _Entry.Last_release_date 2016-07-15 _Entry.Original_release_date 2016-07-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Yan Li . . . . 26597 2 'Ying Lei' Wong . . . . 26597 3 'Michelle Yueqi' Lee . . . . 26597 4 'Hui Qi' Ng . . . . 26597 5 CongBao Kang . . . . 26597 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26597 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 629 26597 '15N chemical shifts' 218 26597 '1H chemical shifts' 218 26597 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-07-15 . original BMRB . 26597 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26598 'DNA gyrase B subunit' 26597 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26597 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26272827 _Citation.Full_citation . _Citation.Title ; NMR structural characterization of the N-terminal active domain of the gyrase B subunit from Pseudomonas aeruginosa and its complex with an inhibitor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full . _Citation.Journal_volume 589 _Citation.Journal_issue 19 _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 2683 _Citation.Page_last 2689 _Citation.Year 2015 _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 Yan Li . . . . 26597 1 2 'Yun Xuan' Wong . . . . 26597 1 3 'Zhi Ying' Poh . . . . 26597 1 4 'Ying Lei' Wong . . . . 26597 1 5 'Michelle Yueqi' Lee . . . . 26597 1 6 'Hui Qi' Ng . . . . 26597 1 7 Boping Liu . . . . 26597 1 8 Alvin Hung . . . . 26597 1 9 Joseph Cherian . . . . 26597 1 10 Jeffrey Hill . . . . 26597 1 11 'Thomas H' Keller . . . . 26597 1 12 CongBao Kang . . . . 26597 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 26597 1 'drug discovery' 26597 1 'gyrase B' 26597 1 'structure-based drug design' 26597 1 topoisomerase 26597 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26597 _Assembly.ID 1 _Assembly.Name 'DNA gyrase B' _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 . _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 'DNA gyrase B' 1 $Pseudomonas_aeruginosa_DNA_gyrase_B_subunit A . yes native no no . . . 26597 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Pseudomonas_aeruginosa_DNA_gyrase_B_subunit _Entity.Sf_category entity _Entity.Sf_framecode Pseudomonas_aeruginosa_DNA_gyrase_B_subunit _Entity.Entry_ID 26597 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Pseudomonas_aeruginosa_DNA_gyrase_B_subunit _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 ; MSENNTYDSSSIKVLKGLDA VRKRPGMYIGDTDDGTGLHH MVFEVVDNSIDEALAGYCSE ISITIHTDESITVRDNGRGI PVDIHKEEGVSAAEVIMTVL HAGGKFDVNTYKVSGGLHGV GVSVVNALSHELRLTIRRHN KVWEQVYHHGVPQFPLREVG ETDGSGTEVHFKPSPETFSN IHFSWDILAKRIRELSFLNS GVGILLRDERTGKEELFKYE GGLEHHHHH ; _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 229 _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_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 26597 1 2 2 SER . 26597 1 3 3 GLU . 26597 1 4 4 ASN . 26597 1 5 5 ASN . 26597 1 6 6 THR . 26597 1 7 7 TYR . 26597 1 8 8 ASP . 26597 1 9 9 SER . 26597 1 10 10 SER . 26597 1 11 11 SER . 26597 1 12 12 ILE . 26597 1 13 13 LYS . 26597 1 14 14 VAL . 26597 1 15 15 LEU . 26597 1 16 16 LYS . 26597 1 17 17 GLY . 26597 1 18 18 LEU . 26597 1 19 19 ASP . 26597 1 20 20 ALA . 26597 1 21 21 VAL . 26597 1 22 22 ARG . 26597 1 23 23 LYS . 26597 1 24 24 ARG . 26597 1 25 25 PRO . 26597 1 26 26 GLY . 26597 1 27 27 MET . 26597 1 28 28 TYR . 26597 1 29 29 ILE . 26597 1 30 30 GLY . 26597 1 31 31 ASP . 26597 1 32 32 THR . 26597 1 33 33 ASP . 26597 1 34 34 ASP . 26597 1 35 35 GLY . 26597 1 36 36 THR . 26597 1 37 37 GLY . 26597 1 38 38 LEU . 26597 1 39 39 HIS . 26597 1 40 40 HIS . 26597 1 41 41 MET . 26597 1 42 42 VAL . 26597 1 43 43 PHE . 26597 1 44 44 GLU . 26597 1 45 45 VAL . 26597 1 46 46 VAL . 26597 1 47 47 ASP . 26597 1 48 48 ASN . 26597 1 49 49 SER . 26597 1 50 50 ILE . 26597 1 51 51 ASP . 26597 1 52 52 GLU . 26597 1 53 53 ALA . 26597 1 54 54 LEU . 26597 1 55 55 ALA . 26597 1 56 56 GLY . 26597 1 57 57 TYR . 26597 1 58 58 CYS . 26597 1 59 59 SER . 26597 1 60 60 GLU . 26597 1 61 61 ILE . 26597 1 62 62 SER . 26597 1 63 63 ILE . 26597 1 64 64 THR . 26597 1 65 65 ILE . 26597 1 66 66 HIS . 26597 1 67 67 THR . 26597 1 68 68 ASP . 26597 1 69 69 GLU . 26597 1 70 70 SER . 26597 1 71 71 ILE . 26597 1 72 72 THR . 26597 1 73 73 VAL . 26597 1 74 74 ARG . 26597 1 75 75 ASP . 26597 1 76 76 ASN . 26597 1 77 77 GLY . 26597 1 78 78 ARG . 26597 1 79 79 GLY . 26597 1 80 80 ILE . 26597 1 81 81 PRO . 26597 1 82 82 VAL . 26597 1 83 83 ASP . 26597 1 84 84 ILE . 26597 1 85 85 HIS . 26597 1 86 86 LYS . 26597 1 87 87 GLU . 26597 1 88 88 GLU . 26597 1 89 89 GLY . 26597 1 90 90 VAL . 26597 1 91 91 SER . 26597 1 92 92 ALA . 26597 1 93 93 ALA . 26597 1 94 94 GLU . 26597 1 95 95 VAL . 26597 1 96 96 ILE . 26597 1 97 97 MET . 26597 1 98 98 THR . 26597 1 99 99 VAL . 26597 1 100 100 LEU . 26597 1 101 101 HIS . 26597 1 102 102 ALA . 26597 1 103 103 GLY . 26597 1 104 104 GLY . 26597 1 105 105 LYS . 26597 1 106 106 PHE . 26597 1 107 107 ASP . 26597 1 108 108 VAL . 26597 1 109 109 ASN . 26597 1 110 110 THR . 26597 1 111 111 TYR . 26597 1 112 112 LYS . 26597 1 113 113 VAL . 26597 1 114 114 SER . 26597 1 115 115 GLY . 26597 1 116 116 GLY . 26597 1 117 117 LEU . 26597 1 118 118 HIS . 26597 1 119 119 GLY . 26597 1 120 120 VAL . 26597 1 121 121 GLY . 26597 1 122 122 VAL . 26597 1 123 123 SER . 26597 1 124 124 VAL . 26597 1 125 125 VAL . 26597 1 126 126 ASN . 26597 1 127 127 ALA . 26597 1 128 128 LEU . 26597 1 129 129 SER . 26597 1 130 130 HIS . 26597 1 131 131 GLU . 26597 1 132 132 LEU . 26597 1 133 133 ARG . 26597 1 134 134 LEU . 26597 1 135 135 THR . 26597 1 136 136 ILE . 26597 1 137 137 ARG . 26597 1 138 138 ARG . 26597 1 139 139 HIS . 26597 1 140 140 ASN . 26597 1 141 141 LYS . 26597 1 142 142 VAL . 26597 1 143 143 TRP . 26597 1 144 144 GLU . 26597 1 145 145 GLN . 26597 1 146 146 VAL . 26597 1 147 147 TYR . 26597 1 148 148 HIS . 26597 1 149 149 HIS . 26597 1 150 150 GLY . 26597 1 151 151 VAL . 26597 1 152 152 PRO . 26597 1 153 153 GLN . 26597 1 154 154 PHE . 26597 1 155 155 PRO . 26597 1 156 156 LEU . 26597 1 157 157 ARG . 26597 1 158 158 GLU . 26597 1 159 159 VAL . 26597 1 160 160 GLY . 26597 1 161 161 GLU . 26597 1 162 162 THR . 26597 1 163 163 ASP . 26597 1 164 164 GLY . 26597 1 165 165 SER . 26597 1 166 166 GLY . 26597 1 167 167 THR . 26597 1 168 168 GLU . 26597 1 169 169 VAL . 26597 1 170 170 HIS . 26597 1 171 171 PHE . 26597 1 172 172 LYS . 26597 1 173 173 PRO . 26597 1 174 174 SER . 26597 1 175 175 PRO . 26597 1 176 176 GLU . 26597 1 177 177 THR . 26597 1 178 178 PHE . 26597 1 179 179 SER . 26597 1 180 180 ASN . 26597 1 181 181 ILE . 26597 1 182 182 HIS . 26597 1 183 183 PHE . 26597 1 184 184 SER . 26597 1 185 185 TRP . 26597 1 186 186 ASP . 26597 1 187 187 ILE . 26597 1 188 188 LEU . 26597 1 189 189 ALA . 26597 1 190 190 LYS . 26597 1 191 191 ARG . 26597 1 192 192 ILE . 26597 1 193 193 ARG . 26597 1 194 194 GLU . 26597 1 195 195 LEU . 26597 1 196 196 SER . 26597 1 197 197 PHE . 26597 1 198 198 LEU . 26597 1 199 199 ASN . 26597 1 200 200 SER . 26597 1 201 201 GLY . 26597 1 202 202 VAL . 26597 1 203 203 GLY . 26597 1 204 204 ILE . 26597 1 205 205 LEU . 26597 1 206 206 LEU . 26597 1 207 207 ARG . 26597 1 208 208 ASP . 26597 1 209 209 GLU . 26597 1 210 210 ARG . 26597 1 211 211 THR . 26597 1 212 212 GLY . 26597 1 213 213 LYS . 26597 1 214 214 GLU . 26597 1 215 215 GLU . 26597 1 216 216 LEU . 26597 1 217 217 PHE . 26597 1 218 218 LYS . 26597 1 219 219 TYR . 26597 1 220 220 GLU . 26597 1 221 221 GLY . 26597 1 222 222 GLY . 26597 1 223 223 LEU . 26597 1 224 224 GLU . 26597 1 225 225 HIS . 26597 1 226 226 HIS . 26597 1 227 227 HIS . 26597 1 228 228 HIS . 26597 1 229 229 HIS . 26597 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 26597 1 . SER 2 2 26597 1 . GLU 3 3 26597 1 . ASN 4 4 26597 1 . ASN 5 5 26597 1 . THR 6 6 26597 1 . TYR 7 7 26597 1 . ASP 8 8 26597 1 . SER 9 9 26597 1 . SER 10 10 26597 1 . SER 11 11 26597 1 . ILE 12 12 26597 1 . LYS 13 13 26597 1 . VAL 14 14 26597 1 . LEU 15 15 26597 1 . LYS 16 16 26597 1 . GLY 17 17 26597 1 . LEU 18 18 26597 1 . ASP 19 19 26597 1 . ALA 20 20 26597 1 . VAL 21 21 26597 1 . ARG 22 22 26597 1 . LYS 23 23 26597 1 . ARG 24 24 26597 1 . PRO 25 25 26597 1 . GLY 26 26 26597 1 . MET 27 27 26597 1 . TYR 28 28 26597 1 . ILE 29 29 26597 1 . GLY 30 30 26597 1 . ASP 31 31 26597 1 . THR 32 32 26597 1 . ASP 33 33 26597 1 . ASP 34 34 26597 1 . GLY 35 35 26597 1 . THR 36 36 26597 1 . GLY 37 37 26597 1 . LEU 38 38 26597 1 . HIS 39 39 26597 1 . HIS 40 40 26597 1 . MET 41 41 26597 1 . VAL 42 42 26597 1 . PHE 43 43 26597 1 . GLU 44 44 26597 1 . VAL 45 45 26597 1 . VAL 46 46 26597 1 . ASP 47 47 26597 1 . ASN 48 48 26597 1 . SER 49 49 26597 1 . ILE 50 50 26597 1 . ASP 51 51 26597 1 . GLU 52 52 26597 1 . ALA 53 53 26597 1 . LEU 54 54 26597 1 . ALA 55 55 26597 1 . GLY 56 56 26597 1 . TYR 57 57 26597 1 . CYS 58 58 26597 1 . SER 59 59 26597 1 . GLU 60 60 26597 1 . ILE 61 61 26597 1 . SER 62 62 26597 1 . ILE 63 63 26597 1 . THR 64 64 26597 1 . ILE 65 65 26597 1 . HIS 66 66 26597 1 . THR 67 67 26597 1 . ASP 68 68 26597 1 . GLU 69 69 26597 1 . SER 70 70 26597 1 . ILE 71 71 26597 1 . THR 72 72 26597 1 . VAL 73 73 26597 1 . ARG 74 74 26597 1 . ASP 75 75 26597 1 . ASN 76 76 26597 1 . GLY 77 77 26597 1 . ARG 78 78 26597 1 . GLY 79 79 26597 1 . ILE 80 80 26597 1 . PRO 81 81 26597 1 . VAL 82 82 26597 1 . ASP 83 83 26597 1 . ILE 84 84 26597 1 . HIS 85 85 26597 1 . LYS 86 86 26597 1 . GLU 87 87 26597 1 . GLU 88 88 26597 1 . GLY 89 89 26597 1 . VAL 90 90 26597 1 . SER 91 91 26597 1 . ALA 92 92 26597 1 . ALA 93 93 26597 1 . GLU 94 94 26597 1 . VAL 95 95 26597 1 . ILE 96 96 26597 1 . MET 97 97 26597 1 . THR 98 98 26597 1 . VAL 99 99 26597 1 . LEU 100 100 26597 1 . HIS 101 101 26597 1 . ALA 102 102 26597 1 . GLY 103 103 26597 1 . GLY 104 104 26597 1 . LYS 105 105 26597 1 . PHE 106 106 26597 1 . ASP 107 107 26597 1 . VAL 108 108 26597 1 . ASN 109 109 26597 1 . THR 110 110 26597 1 . TYR 111 111 26597 1 . LYS 112 112 26597 1 . VAL 113 113 26597 1 . SER 114 114 26597 1 . GLY 115 115 26597 1 . GLY 116 116 26597 1 . LEU 117 117 26597 1 . HIS 118 118 26597 1 . GLY 119 119 26597 1 . VAL 120 120 26597 1 . GLY 121 121 26597 1 . VAL 122 122 26597 1 . SER 123 123 26597 1 . VAL 124 124 26597 1 . VAL 125 125 26597 1 . ASN 126 126 26597 1 . ALA 127 127 26597 1 . LEU 128 128 26597 1 . SER 129 129 26597 1 . HIS 130 130 26597 1 . GLU 131 131 26597 1 . LEU 132 132 26597 1 . ARG 133 133 26597 1 . LEU 134 134 26597 1 . THR 135 135 26597 1 . ILE 136 136 26597 1 . ARG 137 137 26597 1 . ARG 138 138 26597 1 . HIS 139 139 26597 1 . ASN 140 140 26597 1 . LYS 141 141 26597 1 . VAL 142 142 26597 1 . TRP 143 143 26597 1 . GLU 144 144 26597 1 . GLN 145 145 26597 1 . VAL 146 146 26597 1 . TYR 147 147 26597 1 . HIS 148 148 26597 1 . HIS 149 149 26597 1 . GLY 150 150 26597 1 . VAL 151 151 26597 1 . PRO 152 152 26597 1 . GLN 153 153 26597 1 . PHE 154 154 26597 1 . PRO 155 155 26597 1 . LEU 156 156 26597 1 . ARG 157 157 26597 1 . GLU 158 158 26597 1 . VAL 159 159 26597 1 . GLY 160 160 26597 1 . GLU 161 161 26597 1 . THR 162 162 26597 1 . ASP 163 163 26597 1 . GLY 164 164 26597 1 . SER 165 165 26597 1 . GLY 166 166 26597 1 . THR 167 167 26597 1 . GLU 168 168 26597 1 . VAL 169 169 26597 1 . HIS 170 170 26597 1 . PHE 171 171 26597 1 . LYS 172 172 26597 1 . PRO 173 173 26597 1 . SER 174 174 26597 1 . PRO 175 175 26597 1 . GLU 176 176 26597 1 . THR 177 177 26597 1 . PHE 178 178 26597 1 . SER 179 179 26597 1 . ASN 180 180 26597 1 . ILE 181 181 26597 1 . HIS 182 182 26597 1 . PHE 183 183 26597 1 . SER 184 184 26597 1 . TRP 185 185 26597 1 . ASP 186 186 26597 1 . ILE 187 187 26597 1 . LEU 188 188 26597 1 . ALA 189 189 26597 1 . LYS 190 190 26597 1 . ARG 191 191 26597 1 . ILE 192 192 26597 1 . ARG 193 193 26597 1 . GLU 194 194 26597 1 . LEU 195 195 26597 1 . SER 196 196 26597 1 . PHE 197 197 26597 1 . LEU 198 198 26597 1 . ASN 199 199 26597 1 . SER 200 200 26597 1 . GLY 201 201 26597 1 . VAL 202 202 26597 1 . GLY 203 203 26597 1 . ILE 204 204 26597 1 . LEU 205 205 26597 1 . LEU 206 206 26597 1 . ARG 207 207 26597 1 . ASP 208 208 26597 1 . GLU 209 209 26597 1 . ARG 210 210 26597 1 . THR 211 211 26597 1 . GLY 212 212 26597 1 . LYS 213 213 26597 1 . GLU 214 214 26597 1 . GLU 215 215 26597 1 . LEU 216 216 26597 1 . PHE 217 217 26597 1 . LYS 218 218 26597 1 . TYR 219 219 26597 1 . GLU 220 220 26597 1 . GLY 221 221 26597 1 . GLY 222 222 26597 1 . LEU 223 223 26597 1 . GLU 224 224 26597 1 . HIS 225 225 26597 1 . HIS 226 226 26597 1 . HIS 227 227 26597 1 . HIS 228 228 26597 1 . HIS 229 229 26597 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 26597 _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 $Pseudomonas_aeruginosa_DNA_gyrase_B_subunit . 287 organism . 'Pseudomonas aeruginosa' g-proteobacteria . . Bacteria . Pseudomonas aeruginosa . . . . . . . . . . . . . 26597 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 26597 _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 $Pseudomonas_aeruginosa_DNA_gyrase_B_subunit . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Bl21DE3 . . . . . pET29b . . . 26597 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26597 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Pseudomonas aeruginosa DNA gyrase B subunit' '[U-13C; U-15N; U-2H]' . . 1 $Pseudomonas_aeruginosa_DNA_gyrase_B_subunit . . 0.8 . . mM . . . . 26597 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26597 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26597 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 26597 1 5 KCl 'natural abundance' . . . . . . 80 . . mM . . . . 26597 1 6 DDT 'natural abundance' . . . . . . 2 . . mM . . . . 26597 1 7 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 26597 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 26597 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 80 . mM 26597 1 pH 6.5 . pH 26597 1 pressure 1 . atm 26597 1 temperature 298 . K 26597 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 26597 _Software.ID 1 _Software.Name X-PLOR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26597 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26597 1 processing 26597 1 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 26597 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 26597 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 26597 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 26597 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26597 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26597 1 3 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26597 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26597 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26597 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26597 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26597 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26597 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 26597 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 . . . . . 26597 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26597 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26597 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 26597 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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 'TROSY offset; 2H isotope effect.' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D HNCACB' . . . 26597 1 3 '3D HN(CO)CACB' . . . 26597 1 4 '3D HNCA' . . . 26597 1 5 '3D HN(CO)CA' . . . 26597 1 6 '3D HNCO' . . . 26597 1 7 '3D HN(CA)CO' . . . 26597 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER H H 1 8.240 0.020 . 1 . . . . 2 SER H . 26597 1 2 . 1 1 2 2 SER C C 13 175.081 0.300 . 1 . . . . 2 SER C . 26597 1 3 . 1 1 2 2 SER CA C 13 58.153 0.300 . 1 . . . . 2 SER CA . 26597 1 4 . 1 1 2 2 SER CB C 13 63.668 0.300 . 1 . . . . 2 SER CB . 26597 1 5 . 1 1 2 2 SER N N 15 122.048 0.300 . 1 . . . . 2 SER N . 26597 1 6 . 1 1 3 3 GLU H H 1 8.558 0.020 . 1 . . . . 3 GLU H . 26597 1 7 . 1 1 3 3 GLU C C 13 176.271 0.300 . 1 . . . . 3 GLU C . 26597 1 8 . 1 1 3 3 GLU CA C 13 56.280 0.300 . 1 . . . . 3 GLU CA . 26597 1 9 . 1 1 3 3 GLU CB C 13 29.024 0.300 . 1 . . . . 3 GLU CB . 26597 1 10 . 1 1 3 3 GLU N N 15 122.864 0.300 . 1 . . . . 3 GLU N . 26597 1 11 . 1 1 4 4 ASN H H 1 8.330 0.020 . 1 . . . . 4 ASN H . 26597 1 12 . 1 1 4 4 ASN C C 13 174.820 0.300 . 1 . . . . 4 ASN C . 26597 1 13 . 1 1 4 4 ASN CA C 13 52.854 0.300 . 1 . . . . 4 ASN CA . 26597 1 14 . 1 1 4 4 ASN CB C 13 38.280 0.300 . 1 . . . . 4 ASN CB . 26597 1 15 . 1 1 4 4 ASN N N 15 119.555 0.300 . 1 . . . . 4 ASN N . 26597 1 16 . 1 1 5 5 ASN H H 1 8.301 0.020 . 1 . . . . 5 ASN H . 26597 1 17 . 1 1 5 5 ASN C C 13 175.245 0.300 . 1 . . . . 5 ASN C . 26597 1 18 . 1 1 5 5 ASN CA C 13 52.854 0.300 . 1 . . . . 5 ASN CA . 26597 1 19 . 1 1 5 5 ASN CB C 13 38.280 0.300 . 1 . . . . 5 ASN CB . 26597 1 20 . 1 1 5 5 ASN N N 15 119.821 0.300 . 1 . . . . 5 ASN N . 26597 1 21 . 1 1 6 6 THR H H 1 8.005 0.020 . 1 . . . . 6 THR H . 26597 1 22 . 1 1 6 6 THR C C 13 174.254 0.300 . 1 . . . . 6 THR C . 26597 1 23 . 1 1 6 6 THR CA C 13 61.649 0.300 . 1 . . . . 6 THR CA . 26597 1 24 . 1 1 6 6 THR CB C 13 69.208 0.300 . 1 . . . . 6 THR CB . 26597 1 25 . 1 1 6 6 THR N N 15 114.650 0.300 . 1 . . . . 6 THR N . 26597 1 26 . 1 1 7 7 TYR H H 1 8.111 0.020 . 1 . . . . 7 TYR H . 26597 1 27 . 1 1 7 7 TYR C C 13 175.293 0.300 . 1 . . . . 7 TYR C . 26597 1 28 . 1 1 7 7 TYR CA C 13 57.507 0.300 . 1 . . . . 7 TYR CA . 26597 1 29 . 1 1 7 7 TYR CB C 13 38.037 0.300 . 1 . . . . 7 TYR CB . 26597 1 30 . 1 1 7 7 TYR N N 15 122.766 0.300 . 1 . . . . 7 TYR N . 26597 1 31 . 1 1 8 8 ASP H H 1 8.143 0.020 . 1 . . . . 8 ASP H . 26597 1 32 . 1 1 8 8 ASP C C 13 176.401 0.300 . 1 . . . . 8 ASP C . 26597 1 33 . 1 1 8 8 ASP CA C 13 53.485 0.300 . 1 . . . . 8 ASP CA . 26597 1 34 . 1 1 8 8 ASP CB C 13 40.704 0.300 . 1 . . . . 8 ASP CB . 26597 1 35 . 1 1 8 8 ASP N N 15 122.969 0.300 . 1 . . . . 8 ASP N . 26597 1 36 . 1 1 9 9 SER H H 1 8.262 0.020 . 1 . . . . 9 SER H . 26597 1 37 . 1 1 9 9 SER C C 13 175.174 0.300 . 1 . . . . 9 SER C . 26597 1 38 . 1 1 9 9 SER CA C 13 58.704 0.300 . 1 . . . . 9 SER CA . 26597 1 39 . 1 1 9 9 SER CB C 13 63.277 0.300 . 1 . . . . 9 SER CB . 26597 1 40 . 1 1 9 9 SER N N 15 117.943 0.300 . 1 . . . . 9 SER N . 26597 1 41 . 1 1 10 10 SER H H 1 8.339 0.020 . 1 . . . . 10 SER H . 26597 1 42 . 1 1 10 10 SER C C 13 174.940 0.300 . 1 . . . . 10 SER C . 26597 1 43 . 1 1 10 10 SER CA C 13 59.041 0.300 . 1 . . . . 10 SER CA . 26597 1 44 . 1 1 10 10 SER CB C 13 63.299 0.300 . 1 . . . . 10 SER CB . 26597 1 45 . 1 1 10 10 SER N N 15 118.250 0.300 . 1 . . . . 10 SER N . 26597 1 46 . 1 1 11 11 SER H H 1 8.045 0.020 . 1 . . . . 11 SER H . 26597 1 47 . 1 1 11 11 SER C C 13 174.734 0.300 . 1 . . . . 11 SER C . 26597 1 48 . 1 1 11 11 SER CA C 13 58.477 0.300 . 1 . . . . 11 SER CA . 26597 1 49 . 1 1 11 11 SER N N 15 117.845 0.300 . 1 . . . . 11 SER N . 26597 1 50 . 1 1 12 12 ILE H H 1 7.841 0.020 . 1 . . . . 12 ILE H . 26597 1 51 . 1 1 12 12 ILE C C 13 176.332 0.300 . 1 . . . . 12 ILE C . 26597 1 52 . 1 1 12 12 ILE CA C 13 61.236 0.300 . 1 . . . . 12 ILE CA . 26597 1 53 . 1 1 12 12 ILE CB C 13 37.275 0.300 . 1 . . . . 12 ILE CB . 26597 1 54 . 1 1 12 12 ILE N N 15 122.531 0.300 . 1 . . . . 12 ILE N . 26597 1 55 . 1 1 13 13 LYS H H 1 8.105 0.020 . 1 . . . . 13 LYS H . 26597 1 56 . 1 1 13 13 LYS C C 13 176.757 0.300 . 1 . . . . 13 LYS C . 26597 1 57 . 1 1 13 13 LYS CA C 13 56.304 0.300 . 1 . . . . 13 LYS CA . 26597 1 58 . 1 1 13 13 LYS CB C 13 31.823 0.300 . 1 . . . . 13 LYS CB . 26597 1 59 . 1 1 13 13 LYS N N 15 124.852 0.300 . 1 . . . . 13 LYS N . 26597 1 60 . 1 1 14 14 VAL H H 1 7.946 0.020 . 1 . . . . 14 VAL H . 26597 1 61 . 1 1 14 14 VAL C C 13 176.343 0.300 . 1 . . . . 14 VAL C . 26597 1 62 . 1 1 14 14 VAL CA C 13 62.179 0.300 . 1 . . . . 14 VAL CA . 26597 1 63 . 1 1 14 14 VAL CB C 13 31.604 0.300 . 1 . . . . 14 VAL CB . 26597 1 64 . 1 1 14 14 VAL N N 15 121.790 0.300 . 1 . . . . 14 VAL N . 26597 1 65 . 1 1 15 15 LEU H H 1 8.195 0.020 . 1 . . . . 15 LEU H . 26597 1 66 . 1 1 15 15 LEU C C 13 177.214 0.300 . 1 . . . . 15 LEU C . 26597 1 67 . 1 1 15 15 LEU CA C 13 54.794 0.300 . 1 . . . . 15 LEU CA . 26597 1 68 . 1 1 15 15 LEU CB C 13 41.026 0.300 . 1 . . . . 15 LEU CB . 26597 1 69 . 1 1 15 15 LEU N N 15 126.030 0.300 . 1 . . . . 15 LEU N . 26597 1 70 . 1 1 16 16 LYS H H 1 8.394 0.020 . 1 . . . . 16 LYS H . 26597 1 71 . 1 1 16 16 LYS C C 13 177.513 0.300 . 1 . . . . 16 LYS C . 26597 1 72 . 1 1 16 16 LYS CA C 13 55.955 0.300 . 1 . . . . 16 LYS CA . 26597 1 73 . 1 1 16 16 LYS CB C 13 32.536 0.300 . 1 . . . . 16 LYS CB . 26597 1 74 . 1 1 16 16 LYS N N 15 121.949 0.300 . 1 . . . . 16 LYS N . 26597 1 75 . 1 1 17 17 GLY H H 1 8.245 0.020 . 1 . . . . 17 GLY H . 26597 1 76 . 1 1 17 17 GLY C C 13 175.149 0.300 . 1 . . . . 17 GLY C . 26597 1 77 . 1 1 17 17 GLY CA C 13 45.642 0.300 . 1 . . . . 17 GLY CA . 26597 1 78 . 1 1 17 17 GLY N N 15 109.589 0.300 . 1 . . . . 17 GLY N . 26597 1 79 . 1 1 18 18 LEU H H 1 8.282 0.020 . 1 . . . . 18 LEU H . 26597 1 80 . 1 1 18 18 LEU C C 13 178.382 0.300 . 1 . . . . 18 LEU C . 26597 1 81 . 1 1 18 18 LEU CA C 13 56.134 0.300 . 1 . . . . 18 LEU CA . 26597 1 82 . 1 1 18 18 LEU CB C 13 39.942 0.300 . 1 . . . . 18 LEU CB . 26597 1 83 . 1 1 18 18 LEU N N 15 121.275 0.300 . 1 . . . . 18 LEU N . 26597 1 84 . 1 1 19 19 ASP H H 1 8.064 0.020 . 1 . . . . 19 ASP H . 26597 1 85 . 1 1 19 19 ASP C C 13 178.079 0.300 . 1 . . . . 19 ASP C . 26597 1 86 . 1 1 19 19 ASP CA C 13 56.967 0.300 . 1 . . . . 19 ASP CA . 26597 1 87 . 1 1 19 19 ASP CB C 13 39.967 0.300 . 1 . . . . 19 ASP CB . 26597 1 88 . 1 1 19 19 ASP N N 15 119.286 0.300 . 1 . . . . 19 ASP N . 26597 1 89 . 1 1 20 20 ALA H H 1 7.561 0.020 . 1 . . . . 20 ALA H . 26597 1 90 . 1 1 20 20 ALA C C 13 179.662 0.300 . 1 . . . . 20 ALA C . 26597 1 91 . 1 1 20 20 ALA CA C 13 54.446 0.300 . 1 . . . . 20 ALA CA . 26597 1 92 . 1 1 20 20 ALA CB C 13 17.423 0.300 . 1 . . . . 20 ALA CB . 26597 1 93 . 1 1 20 20 ALA N N 15 120.965 0.300 . 1 . . . . 20 ALA N . 26597 1 94 . 1 1 21 21 VAL H H 1 6.827 0.020 . 1 . . . . 21 VAL H . 26597 1 95 . 1 1 21 21 VAL C C 13 176.639 0.300 . 1 . . . . 21 VAL C . 26597 1 96 . 1 1 21 21 VAL CA C 13 63.459 0.300 . 1 . . . . 21 VAL CA . 26597 1 97 . 1 1 21 21 VAL CB C 13 30.270 0.300 . 1 . . . . 21 VAL CB . 26597 1 98 . 1 1 21 21 VAL N N 15 117.457 0.300 . 1 . . . . 21 VAL N . 26597 1 99 . 1 1 22 22 ARG H H 1 7.171 0.020 . 1 . . . . 22 ARG H . 26597 1 100 . 1 1 22 22 ARG C C 13 179.025 0.300 . 1 . . . . 22 ARG C . 26597 1 101 . 1 1 22 22 ARG N N 15 114.003 0.300 . 1 . . . . 22 ARG N . 26597 1 102 . 1 1 23 23 LYS H H 1 7.479 0.020 . 1 . . . . 23 LYS H . 26597 1 103 . 1 1 23 23 LYS C C 13 177.214 0.300 . 1 . . . . 23 LYS C . 26597 1 104 . 1 1 23 23 LYS N N 15 116.574 0.300 . 1 . . . . 23 LYS N . 26597 1 105 . 1 1 24 24 ARG H H 1 7.092 0.020 . 1 . . . . 24 ARG H . 26597 1 106 . 1 1 24 24 ARG N N 15 117.868 0.300 . 1 . . . . 24 ARG N . 26597 1 107 . 1 1 25 25 PRO C C 13 179.978 0.300 . 1 . . . . 25 PRO C . 26597 1 108 . 1 1 25 25 PRO CA C 13 65.379 0.300 . 1 . . . . 25 PRO CA . 26597 1 109 . 1 1 25 25 PRO CB C 13 30.795 0.300 . 1 . . . . 25 PRO CB . 26597 1 110 . 1 1 26 26 GLY H H 1 8.714 0.020 . 1 . . . . 26 GLY H . 26597 1 111 . 1 1 26 26 GLY C C 13 176.568 0.300 . 1 . . . . 26 GLY C . 26597 1 112 . 1 1 26 26 GLY CA C 13 45.688 0.300 . 1 . . . . 26 GLY CA . 26597 1 113 . 1 1 26 26 GLY N N 15 106.950 0.300 . 1 . . . . 26 GLY N . 26597 1 114 . 1 1 27 27 MET H H 1 7.359 0.020 . 1 . . . . 27 MET H . 26597 1 115 . 1 1 27 27 MET C C 13 178.173 0.300 . 1 . . . . 27 MET C . 26597 1 116 . 1 1 27 27 MET CA C 13 56.357 0.300 . 1 . . . . 27 MET CA . 26597 1 117 . 1 1 27 27 MET CB C 13 31.547 0.300 . 1 . . . . 27 MET CB . 26597 1 118 . 1 1 27 27 MET N N 15 118.337 0.300 . 1 . . . . 27 MET N . 26597 1 119 . 1 1 28 28 TYR H H 1 7.595 0.020 . 1 . . . . 28 TYR H . 26597 1 120 . 1 1 28 28 TYR C C 13 175.239 0.300 . 1 . . . . 28 TYR C . 26597 1 121 . 1 1 28 28 TYR CB C 13 36.805 0.300 . 1 . . . . 28 TYR CB . 26597 1 122 . 1 1 28 28 TYR N N 15 115.446 0.300 . 1 . . . . 28 TYR N . 26597 1 123 . 1 1 29 29 ILE H H 1 8.046 0.020 . 1 . . . . 29 ILE H . 26597 1 124 . 1 1 29 29 ILE C C 13 174.513 0.300 . 1 . . . . 29 ILE C . 26597 1 125 . 1 1 29 29 ILE CA C 13 56.724 0.300 . 1 . . . . 29 ILE CA . 26597 1 126 . 1 1 29 29 ILE N N 15 114.923 0.300 . 1 . . . . 29 ILE N . 26597 1 127 . 1 1 30 30 GLY H H 1 7.136 0.020 . 1 . . . . 30 GLY H . 26597 1 128 . 1 1 30 30 GLY C C 13 172.305 0.300 . 1 . . . . 30 GLY C . 26597 1 129 . 1 1 30 30 GLY CA C 13 42.654 0.300 . 1 . . . . 30 GLY CA . 26597 1 130 . 1 1 30 30 GLY N N 15 110.428 0.300 . 1 . . . . 30 GLY N . 26597 1 131 . 1 1 31 31 ASP H H 1 7.958 0.020 . 1 . . . . 31 ASP H . 26597 1 132 . 1 1 31 31 ASP C C 13 179.637 0.300 . 1 . . . . 31 ASP C . 26597 1 133 . 1 1 31 31 ASP CA C 13 56.118 0.300 . 1 . . . . 31 ASP CA . 26597 1 134 . 1 1 31 31 ASP CB C 13 41.894 0.300 . 1 . . . . 31 ASP CB . 26597 1 135 . 1 1 31 31 ASP N N 15 116.625 0.300 . 1 . . . . 31 ASP N . 26597 1 136 . 1 1 32 32 THR H H 1 8.392 0.020 . 1 . . . . 32 THR H . 26597 1 137 . 1 1 32 32 THR C C 13 173.637 0.300 . 1 . . . . 32 THR C . 26597 1 138 . 1 1 32 32 THR CA C 13 63.164 0.300 . 1 . . . . 32 THR CA . 26597 1 139 . 1 1 32 32 THR CB C 13 68.066 0.300 . 1 . . . . 32 THR CB . 26597 1 140 . 1 1 32 32 THR N N 15 117.610 0.300 . 1 . . . . 32 THR N . 26597 1 141 . 1 1 33 33 ASP H H 1 9.087 0.020 . 1 . . . . 33 ASP H . 26597 1 142 . 1 1 33 33 ASP C C 13 177.064 0.300 . 1 . . . . 33 ASP C . 26597 1 143 . 1 1 33 33 ASP CA C 13 54.994 0.300 . 1 . . . . 33 ASP CA . 26597 1 144 . 1 1 33 33 ASP CB C 13 43.266 0.300 . 1 . . . . 33 ASP CB . 26597 1 145 . 1 1 33 33 ASP N N 15 121.609 0.300 . 1 . . . . 33 ASP N . 26597 1 146 . 1 1 34 34 ASP H H 1 8.569 0.020 . 1 . . . . 34 ASP H . 26597 1 147 . 1 1 34 34 ASP C C 13 177.442 0.300 . 1 . . . . 34 ASP C . 26597 1 148 . 1 1 34 34 ASP CA C 13 53.321 0.300 . 1 . . . . 34 ASP CA . 26597 1 149 . 1 1 34 34 ASP CB C 13 39.915 0.300 . 1 . . . . 34 ASP CB . 26597 1 150 . 1 1 34 34 ASP N N 15 120.286 0.300 . 1 . . . . 34 ASP N . 26597 1 151 . 1 1 35 35 GLY H H 1 7.805 0.020 . 1 . . . . 35 GLY H . 26597 1 152 . 1 1 35 35 GLY C C 13 177.014 0.300 . 1 . . . . 35 GLY C . 26597 1 153 . 1 1 35 35 GLY CA C 13 45.563 0.300 . 1 . . . . 35 GLY CA . 26597 1 154 . 1 1 35 35 GLY N N 15 109.688 0.300 . 1 . . . . 35 GLY N . 26597 1 155 . 1 1 36 36 THR H H 1 9.228 0.020 . 1 . . . . 36 THR H . 26597 1 156 . 1 1 36 36 THR C C 13 177.016 0.300 . 1 . . . . 36 THR C . 26597 1 157 . 1 1 36 36 THR CA C 13 66.616 0.300 . 1 . . . . 36 THR CA . 26597 1 158 . 1 1 36 36 THR N N 15 121.588 0.300 . 1 . . . . 36 THR N . 26597 1 159 . 1 1 37 37 GLY H H 1 8.589 0.020 . 1 . . . . 37 GLY H . 26597 1 160 . 1 1 37 37 GLY C C 13 174.652 0.300 . 1 . . . . 37 GLY C . 26597 1 161 . 1 1 37 37 GLY CA C 13 46.983 0.300 . 1 . . . . 37 GLY CA . 26597 1 162 . 1 1 37 37 GLY N N 15 112.108 0.300 . 1 . . . . 37 GLY N . 26597 1 163 . 1 1 38 38 LEU H H 1 8.773 0.020 . 1 . . . . 38 LEU H . 26597 1 164 . 1 1 38 38 LEU C C 13 178.105 0.300 . 1 . . . . 38 LEU C . 26597 1 165 . 1 1 38 38 LEU CA C 13 57.279 0.300 . 1 . . . . 38 LEU CA . 26597 1 166 . 1 1 38 38 LEU CB C 13 40.377 0.300 . 1 . . . . 38 LEU CB . 26597 1 167 . 1 1 38 38 LEU N N 15 121.762 0.300 . 1 . . . . 38 LEU N . 26597 1 168 . 1 1 39 39 HIS H H 1 7.408 0.020 . 1 . . . . 39 HIS H . 26597 1 169 . 1 1 39 39 HIS C C 13 177.352 0.300 . 1 . . . . 39 HIS C . 26597 1 170 . 1 1 39 39 HIS CA C 13 62.635 0.300 . 1 . . . . 39 HIS CA . 26597 1 171 . 1 1 39 39 HIS CB C 13 26.949 0.300 . 1 . . . . 39 HIS CB . 26597 1 172 . 1 1 39 39 HIS N N 15 112.622 0.300 . 1 . . . . 39 HIS N . 26597 1 173 . 1 1 40 40 HIS H H 1 8.232 0.020 . 1 . . . . 40 HIS H . 26597 1 174 . 1 1 40 40 HIS C C 13 177.151 0.300 . 1 . . . . 40 HIS C . 26597 1 175 . 1 1 40 40 HIS CA C 13 58.322 0.300 . 1 . . . . 40 HIS CA . 26597 1 176 . 1 1 40 40 HIS CB C 13 28.552 0.300 . 1 . . . . 40 HIS CB . 26597 1 177 . 1 1 40 40 HIS N N 15 120.434 0.300 . 1 . . . . 40 HIS N . 26597 1 178 . 1 1 41 41 MET H H 1 7.608 0.020 . 1 . . . . 41 MET H . 26597 1 179 . 1 1 41 41 MET C C 13 176.898 0.300 . 1 . . . . 41 MET C . 26597 1 180 . 1 1 41 41 MET CA C 13 58.802 0.300 . 1 . . . . 41 MET CA . 26597 1 181 . 1 1 41 41 MET CB C 13 32.964 0.300 . 1 . . . . 41 MET CB . 26597 1 182 . 1 1 41 41 MET N N 15 116.343 0.300 . 1 . . . . 41 MET N . 26597 1 183 . 1 1 42 42 VAL H H 1 6.679 0.020 . 1 . . . . 42 VAL H . 26597 1 184 . 1 1 42 42 VAL C C 13 178.145 0.300 . 1 . . . . 42 VAL C . 26597 1 185 . 1 1 42 42 VAL CA C 13 65.669 0.300 . 1 . . . . 42 VAL CA . 26597 1 186 . 1 1 42 42 VAL CB C 13 30.482 0.300 . 1 . . . . 42 VAL CB . 26597 1 187 . 1 1 42 42 VAL N N 15 113.520 0.300 . 1 . . . . 42 VAL N . 26597 1 188 . 1 1 43 43 PHE H H 1 7.350 0.020 . 1 . . . . 43 PHE H . 26597 1 189 . 1 1 43 43 PHE C C 13 177.923 0.300 . 1 . . . . 43 PHE C . 26597 1 190 . 1 1 43 43 PHE CA C 13 59.123 0.300 . 1 . . . . 43 PHE CA . 26597 1 191 . 1 1 43 43 PHE CB C 13 36.507 0.300 . 1 . . . . 43 PHE CB . 26597 1 192 . 1 1 43 43 PHE N N 15 118.126 0.300 . 1 . . . . 43 PHE N . 26597 1 193 . 1 1 44 44 GLU H H 1 8.320 0.020 . 1 . . . . 44 GLU H . 26597 1 194 . 1 1 44 44 GLU C C 13 178.733 0.300 . 1 . . . . 44 GLU C . 26597 1 195 . 1 1 44 44 GLU CA C 13 58.540 0.300 . 1 . . . . 44 GLU CA . 26597 1 196 . 1 1 44 44 GLU CB C 13 28.816 0.300 . 1 . . . . 44 GLU CB . 26597 1 197 . 1 1 44 44 GLU N N 15 119.620 0.300 . 1 . . . . 44 GLU N . 26597 1 198 . 1 1 45 45 VAL H H 1 6.975 0.020 . 1 . . . . 45 VAL H . 26597 1 199 . 1 1 45 45 VAL C C 13 178.970 0.300 . 1 . . . . 45 VAL C . 26597 1 200 . 1 1 45 45 VAL CA C 13 65.947 0.300 . 1 . . . . 45 VAL CA . 26597 1 201 . 1 1 45 45 VAL CB C 13 31.024 0.300 . 1 . . . . 45 VAL CB . 26597 1 202 . 1 1 45 45 VAL N N 15 118.178 0.300 . 1 . . . . 45 VAL N . 26597 1 203 . 1 1 46 46 VAL H H 1 8.451 0.020 . 1 . . . . 46 VAL H . 26597 1 204 . 1 1 46 46 VAL C C 13 177.289 0.300 . 1 . . . . 46 VAL C . 26597 1 205 . 1 1 46 46 VAL CA C 13 66.076 0.300 . 1 . . . . 46 VAL CA . 26597 1 206 . 1 1 46 46 VAL CB C 13 30.568 0.300 . 1 . . . . 46 VAL CB . 26597 1 207 . 1 1 46 46 VAL N N 15 120.963 0.300 . 1 . . . . 46 VAL N . 26597 1 208 . 1 1 47 47 ASP H H 1 8.366 0.020 . 1 . . . . 47 ASP H . 26597 1 209 . 1 1 47 47 ASP C C 13 178.264 0.300 . 1 . . . . 47 ASP C . 26597 1 210 . 1 1 47 47 ASP CA C 13 57.255 0.300 . 1 . . . . 47 ASP CA . 26597 1 211 . 1 1 47 47 ASP CB C 13 40.100 0.300 . 1 . . . . 47 ASP CB . 26597 1 212 . 1 1 47 47 ASP N N 15 120.329 0.300 . 1 . . . . 47 ASP N . 26597 1 213 . 1 1 48 48 ASN H H 1 7.213 0.020 . 1 . . . . 48 ASN H . 26597 1 214 . 1 1 48 48 ASN C C 13 177.809 0.300 . 1 . . . . 48 ASN C . 26597 1 215 . 1 1 48 48 ASN CA C 13 56.478 0.300 . 1 . . . . 48 ASN CA . 26597 1 216 . 1 1 48 48 ASN CB C 13 37.935 0.300 . 1 . . . . 48 ASN CB . 26597 1 217 . 1 1 48 48 ASN N N 15 117.802 0.300 . 1 . . . . 48 ASN N . 26597 1 218 . 1 1 49 49 SER H H 1 7.462 0.020 . 1 . . . . 49 SER H . 26597 1 219 . 1 1 49 49 SER C C 13 176.516 0.300 . 1 . . . . 49 SER C . 26597 1 220 . 1 1 49 49 SER CA C 13 62.825 0.300 . 1 . . . . 49 SER CA . 26597 1 221 . 1 1 49 49 SER N N 15 118.913 0.300 . 1 . . . . 49 SER N . 26597 1 222 . 1 1 50 50 ILE H H 1 8.552 0.020 . 1 . . . . 50 ILE H . 26597 1 223 . 1 1 50 50 ILE C C 13 178.227 0.300 . 1 . . . . 50 ILE C . 26597 1 224 . 1 1 50 50 ILE CA C 13 61.974 0.300 . 1 . . . . 50 ILE CA . 26597 1 225 . 1 1 50 50 ILE CB C 13 33.800 0.300 . 1 . . . . 50 ILE CB . 26597 1 226 . 1 1 50 50 ILE N N 15 123.663 0.300 . 1 . . . . 50 ILE N . 26597 1 227 . 1 1 51 51 ASP H H 1 7.956 0.020 . 1 . . . . 51 ASP H . 26597 1 228 . 1 1 51 51 ASP C C 13 179.626 0.300 . 1 . . . . 51 ASP C . 26597 1 229 . 1 1 51 51 ASP CA C 13 57.809 0.300 . 1 . . . . 51 ASP CA . 26597 1 230 . 1 1 51 51 ASP CB C 13 39.178 0.300 . 1 . . . . 51 ASP CB . 26597 1 231 . 1 1 51 51 ASP N N 15 121.657 0.300 . 1 . . . . 51 ASP N . 26597 1 232 . 1 1 52 52 GLU H H 1 7.233 0.020 . 1 . . . . 52 GLU H . 26597 1 233 . 1 1 52 52 GLU C C 13 178.857 0.300 . 1 . . . . 52 GLU C . 26597 1 234 . 1 1 52 52 GLU CA C 13 57.813 0.300 . 1 . . . . 52 GLU CA . 26597 1 235 . 1 1 52 52 GLU CB C 13 29.194 0.300 . 1 . . . . 52 GLU CB . 26597 1 236 . 1 1 52 52 GLU N N 15 119.757 0.300 . 1 . . . . 52 GLU N . 26597 1 237 . 1 1 53 53 ALA H H 1 8.030 0.020 . 1 . . . . 53 ALA H . 26597 1 238 . 1 1 53 53 ALA C C 13 181.654 0.300 . 1 . . . . 53 ALA C . 26597 1 239 . 1 1 53 53 ALA CA C 13 54.770 0.300 . 1 . . . . 53 ALA CA . 26597 1 240 . 1 1 53 53 ALA CB C 13 17.356 0.300 . 1 . . . . 53 ALA CB . 26597 1 241 . 1 1 53 53 ALA N N 15 125.627 0.300 . 1 . . . . 53 ALA N . 26597 1 242 . 1 1 54 54 LEU H H 1 9.017 0.020 . 1 . . . . 54 LEU H . 26597 1 243 . 1 1 54 54 LEU C C 13 179.174 0.300 . 1 . . . . 54 LEU C . 26597 1 244 . 1 1 54 54 LEU CA C 13 57.168 0.300 . 1 . . . . 54 LEU CA . 26597 1 245 . 1 1 54 54 LEU CB C 13 40.363 0.300 . 1 . . . . 54 LEU CB . 26597 1 246 . 1 1 54 54 LEU N N 15 123.067 0.300 . 1 . . . . 54 LEU N . 26597 1 247 . 1 1 55 55 ALA H H 1 7.397 0.020 . 1 . . . . 55 ALA H . 26597 1 248 . 1 1 55 55 ALA C C 13 177.207 0.300 . 1 . . . . 55 ALA C . 26597 1 249 . 1 1 55 55 ALA CA C 13 52.203 0.300 . 1 . . . . 55 ALA CA . 26597 1 250 . 1 1 55 55 ALA CB C 13 18.317 0.300 . 1 . . . . 55 ALA CB . 26597 1 251 . 1 1 55 55 ALA N N 15 118.618 0.300 . 1 . . . . 55 ALA N . 26597 1 252 . 1 1 56 56 GLY H H 1 7.584 0.020 . 1 . . . . 56 GLY H . 26597 1 253 . 1 1 56 56 GLY C C 13 174.948 0.300 . 1 . . . . 56 GLY C . 26597 1 254 . 1 1 56 56 GLY CA C 13 44.292 0.300 . 1 . . . . 56 GLY CA . 26597 1 255 . 1 1 56 56 GLY N N 15 104.052 0.300 . 1 . . . . 56 GLY N . 26597 1 256 . 1 1 57 57 TYR H H 1 7.618 0.020 . 1 . . . . 57 TYR H . 26597 1 257 . 1 1 57 57 TYR C C 13 174.096 0.300 . 1 . . . . 57 TYR C . 26597 1 258 . 1 1 57 57 TYR CA C 13 58.456 0.300 . 1 . . . . 57 TYR CA . 26597 1 259 . 1 1 57 57 TYR CB C 13 40.258 0.300 . 1 . . . . 57 TYR CB . 26597 1 260 . 1 1 57 57 TYR N N 15 116.419 0.300 . 1 . . . . 57 TYR N . 26597 1 261 . 1 1 58 58 CYS H H 1 7.015 0.020 . 1 . . . . 58 CYS H . 26597 1 262 . 1 1 58 58 CYS C C 13 172.004 0.300 . 1 . . . . 58 CYS C . 26597 1 263 . 1 1 58 58 CYS CA C 13 56.129 0.300 . 1 . . . . 58 CYS CA . 26597 1 264 . 1 1 58 58 CYS CB C 13 28.453 0.300 . 1 . . . . 58 CYS CB . 26597 1 265 . 1 1 58 58 CYS N N 15 118.448 0.300 . 1 . . . . 58 CYS N . 26597 1 266 . 1 1 59 59 SER H H 1 9.151 0.020 . 1 . . . . 59 SER H . 26597 1 267 . 1 1 59 59 SER C C 13 174.124 0.300 . 1 . . . . 59 SER C . 26597 1 268 . 1 1 59 59 SER CA C 13 57.727 0.300 . 1 . . . . 59 SER CA . 26597 1 269 . 1 1 59 59 SER CB C 13 65.581 0.300 . 1 . . . . 59 SER CB . 26597 1 270 . 1 1 59 59 SER N N 15 122.352 0.300 . 1 . . . . 59 SER N . 26597 1 271 . 1 1 60 60 GLU H H 1 8.328 0.020 . 1 . . . . 60 GLU H . 26597 1 272 . 1 1 60 60 GLU C C 13 174.270 0.300 . 1 . . . . 60 GLU C . 26597 1 273 . 1 1 60 60 GLU CA C 13 55.780 0.300 . 1 . . . . 60 GLU CA . 26597 1 274 . 1 1 60 60 GLU CB C 13 32.657 0.300 . 1 . . . . 60 GLU CB . 26597 1 275 . 1 1 60 60 GLU N N 15 127.096 0.300 . 1 . . . . 60 GLU N . 26597 1 276 . 1 1 61 61 ILE H H 1 8.513 0.020 . 1 . . . . 61 ILE H . 26597 1 277 . 1 1 61 61 ILE C C 13 174.577 0.300 . 1 . . . . 61 ILE C . 26597 1 278 . 1 1 61 61 ILE CA C 13 59.186 0.300 . 1 . . . . 61 ILE CA . 26597 1 279 . 1 1 61 61 ILE CB C 13 41.517 0.300 . 1 . . . . 61 ILE CB . 26597 1 280 . 1 1 61 61 ILE N N 15 124.617 0.300 . 1 . . . . 61 ILE N . 26597 1 281 . 1 1 62 62 SER H H 1 9.605 0.020 . 1 . . . . 62 SER H . 26597 1 282 . 1 1 62 62 SER C C 13 173.143 0.300 . 1 . . . . 62 SER C . 26597 1 283 . 1 1 62 62 SER CA C 13 55.686 0.300 . 1 . . . . 62 SER CA . 26597 1 284 . 1 1 62 62 SER CB C 13 65.656 0.300 . 1 . . . . 62 SER CB . 26597 1 285 . 1 1 62 62 SER N N 15 121.629 0.300 . 1 . . . . 62 SER N . 26597 1 286 . 1 1 63 63 ILE H H 1 9.361 0.020 . 1 . . . . 63 ILE H . 26597 1 287 . 1 1 63 63 ILE C C 13 173.853 0.300 . 1 . . . . 63 ILE C . 26597 1 288 . 1 1 63 63 ILE CA C 13 60.215 0.300 . 1 . . . . 63 ILE CA . 26597 1 289 . 1 1 63 63 ILE CB C 13 40.013 0.300 . 1 . . . . 63 ILE CB . 26597 1 290 . 1 1 63 63 ILE N N 15 126.894 0.300 . 1 . . . . 63 ILE N . 26597 1 291 . 1 1 64 64 THR H H 1 9.052 0.020 . 1 . . . . 64 THR H . 26597 1 292 . 1 1 64 64 THR C C 13 172.404 0.300 . 1 . . . . 64 THR C . 26597 1 293 . 1 1 64 64 THR CA C 13 60.607 0.300 . 1 . . . . 64 THR CA . 26597 1 294 . 1 1 64 64 THR CB C 13 70.618 0.300 . 1 . . . . 64 THR CB . 26597 1 295 . 1 1 64 64 THR N N 15 123.485 0.300 . 1 . . . . 64 THR N . 26597 1 296 . 1 1 65 65 ILE H H 1 8.796 0.020 . 1 . . . . 65 ILE H . 26597 1 297 . 1 1 65 65 ILE C C 13 175.340 0.300 . 1 . . . . 65 ILE C . 26597 1 298 . 1 1 65 65 ILE CA C 13 59.789 0.300 . 1 . . . . 65 ILE CA . 26597 1 299 . 1 1 65 65 ILE CB C 13 38.533 0.300 . 1 . . . . 65 ILE CB . 26597 1 300 . 1 1 65 65 ILE N N 15 125.578 0.300 . 1 . . . . 65 ILE N . 26597 1 301 . 1 1 66 66 HIS H H 1 8.593 0.020 . 1 . . . . 66 HIS H . 26597 1 302 . 1 1 66 66 HIS C C 13 177.336 0.300 . 1 . . . . 66 HIS C . 26597 1 303 . 1 1 66 66 HIS CA C 13 55.326 0.300 . 1 . . . . 66 HIS CA . 26597 1 304 . 1 1 66 66 HIS CB C 13 29.585 0.300 . 1 . . . . 66 HIS CB . 26597 1 305 . 1 1 66 66 HIS N N 15 125.312 0.300 . 1 . . . . 66 HIS N . 26597 1 306 . 1 1 67 67 THR H H 1 8.993 0.020 . 1 . . . . 67 THR H . 26597 1 307 . 1 1 67 67 THR C C 13 174.772 0.300 . 1 . . . . 67 THR C . 26597 1 308 . 1 1 67 67 THR CA C 13 64.643 0.300 . 1 . . . . 67 THR CA . 26597 1 309 . 1 1 67 67 THR CB C 13 68.136 0.300 . 1 . . . . 67 THR CB . 26597 1 310 . 1 1 67 67 THR N N 15 110.904 0.300 . 1 . . . . 67 THR N . 26597 1 311 . 1 1 68 68 ASP H H 1 8.176 0.020 . 1 . . . . 68 ASP H . 26597 1 312 . 1 1 68 68 ASP C C 13 175.707 0.300 . 1 . . . . 68 ASP C . 26597 1 313 . 1 1 68 68 ASP CA C 13 52.523 0.300 . 1 . . . . 68 ASP CA . 26597 1 314 . 1 1 68 68 ASP CB C 13 38.534 0.300 . 1 . . . . 68 ASP CB . 26597 1 315 . 1 1 68 68 ASP N N 15 120.388 0.300 . 1 . . . . 68 ASP N . 26597 1 316 . 1 1 69 69 GLU H H 1 8.197 0.020 . 1 . . . . 69 GLU H . 26597 1 317 . 1 1 69 69 GLU C C 13 173.544 0.300 . 1 . . . . 69 GLU C . 26597 1 318 . 1 1 69 69 GLU CA C 13 57.280 0.300 . 1 . . . . 69 GLU CA . 26597 1 319 . 1 1 69 69 GLU CB C 13 24.184 0.300 . 1 . . . . 69 GLU CB . 26597 1 320 . 1 1 69 69 GLU N N 15 113.502 0.300 . 1 . . . . 69 GLU N . 26597 1 321 . 1 1 70 70 SER H H 1 6.948 0.020 . 1 . . . . 70 SER H . 26597 1 322 . 1 1 70 70 SER C C 13 172.200 0.300 . 1 . . . . 70 SER C . 26597 1 323 . 1 1 70 70 SER CA C 13 56.595 0.300 . 1 . . . . 70 SER CA . 26597 1 324 . 1 1 70 70 SER CB C 13 65.443 0.300 . 1 . . . . 70 SER CB . 26597 1 325 . 1 1 70 70 SER N N 15 111.165 0.300 . 1 . . . . 70 SER N . 26597 1 326 . 1 1 71 71 ILE H H 1 7.419 0.020 . 1 . . . . 71 ILE H . 26597 1 327 . 1 1 71 71 ILE C C 13 176.300 0.300 . 1 . . . . 71 ILE C . 26597 1 328 . 1 1 71 71 ILE CA C 13 56.004 0.300 . 1 . . . . 71 ILE CA . 26597 1 329 . 1 1 71 71 ILE CB C 13 38.647 0.300 . 1 . . . . 71 ILE CB . 26597 1 330 . 1 1 71 71 ILE N N 15 118.038 0.300 . 1 . . . . 71 ILE N . 26597 1 331 . 1 1 72 72 THR H H 1 8.486 0.020 . 1 . . . . 72 THR H . 26597 1 332 . 1 1 72 72 THR C C 13 175.053 0.300 . 1 . . . . 72 THR C . 26597 1 333 . 1 1 72 72 THR CA C 13 61.910 0.300 . 1 . . . . 72 THR CA . 26597 1 334 . 1 1 72 72 THR CB C 13 68.943 0.300 . 1 . . . . 72 THR CB . 26597 1 335 . 1 1 72 72 THR N N 15 120.800 0.300 . 1 . . . . 72 THR N . 26597 1 336 . 1 1 73 73 VAL H H 1 9.429 0.020 . 1 . . . . 73 VAL H . 26597 1 337 . 1 1 73 73 VAL C C 13 174.022 0.300 . 1 . . . . 73 VAL C . 26597 1 338 . 1 1 73 73 VAL CA C 13 60.548 0.300 . 1 . . . . 73 VAL CA . 26597 1 339 . 1 1 73 73 VAL CB C 13 33.065 0.300 . 1 . . . . 73 VAL CB . 26597 1 340 . 1 1 73 73 VAL N N 15 130.318 0.300 . 1 . . . . 73 VAL N . 26597 1 341 . 1 1 74 74 ARG H H 1 9.342 0.020 . 1 . . . . 74 ARG H . 26597 1 342 . 1 1 74 74 ARG C C 13 173.683 0.300 . 1 . . . . 74 ARG C . 26597 1 343 . 1 1 74 74 ARG CA C 13 53.993 0.300 . 1 . . . . 74 ARG CA . 26597 1 344 . 1 1 74 74 ARG CB C 13 33.478 0.300 . 1 . . . . 74 ARG CB . 26597 1 345 . 1 1 74 74 ARG N N 15 129.647 0.300 . 1 . . . . 74 ARG N . 26597 1 346 . 1 1 75 75 ASP H H 1 9.010 0.020 . 1 . . . . 75 ASP H . 26597 1 347 . 1 1 75 75 ASP C C 13 174.939 0.300 . 1 . . . . 75 ASP C . 26597 1 348 . 1 1 75 75 ASP CA C 13 52.009 0.300 . 1 . . . . 75 ASP CA . 26597 1 349 . 1 1 75 75 ASP CB C 13 44.809 0.300 . 1 . . . . 75 ASP CB . 26597 1 350 . 1 1 75 75 ASP N N 15 124.249 0.300 . 1 . . . . 75 ASP N . 26597 1 351 . 1 1 76 76 ASN H H 1 7.604 0.020 . 1 . . . . 76 ASN H . 26597 1 352 . 1 1 76 76 ASN C C 13 176.973 0.300 . 1 . . . . 76 ASN C . 26597 1 353 . 1 1 76 76 ASN CA C 13 50.802 0.300 . 1 . . . . 76 ASN CA . 26597 1 354 . 1 1 76 76 ASN CB C 13 37.061 0.300 . 1 . . . . 76 ASN CB . 26597 1 355 . 1 1 76 76 ASN N N 15 118.130 0.300 . 1 . . . . 76 ASN N . 26597 1 356 . 1 1 77 77 GLY H H 1 8.905 0.020 . 1 . . . . 77 GLY H . 26597 1 357 . 1 1 77 77 GLY C C 13 173.382 0.300 . 1 . . . . 77 GLY C . 26597 1 358 . 1 1 77 77 GLY CA C 13 44.109 0.300 . 1 . . . . 77 GLY CA . 26597 1 359 . 1 1 77 77 GLY N N 15 106.030 0.300 . 1 . . . . 77 GLY N . 26597 1 360 . 1 1 78 78 ARG H H 1 8.750 0.020 . 1 . . . . 78 ARG H . 26597 1 361 . 1 1 78 78 ARG C C 13 178.410 0.300 . 1 . . . . 78 ARG C . 26597 1 362 . 1 1 78 78 ARG CA C 13 57.276 0.300 . 1 . . . . 78 ARG CA . 26597 1 363 . 1 1 78 78 ARG CB C 13 30.760 0.300 . 1 . . . . 78 ARG CB . 26597 1 364 . 1 1 78 78 ARG N N 15 116.830 0.300 . 1 . . . . 78 ARG N . 26597 1 365 . 1 1 79 79 GLY H H 1 8.375 0.020 . 1 . . . . 79 GLY H . 26597 1 366 . 1 1 79 79 GLY C C 13 173.431 0.300 . 1 . . . . 79 GLY C . 26597 1 367 . 1 1 79 79 GLY CA C 13 42.863 0.300 . 1 . . . . 79 GLY CA . 26597 1 368 . 1 1 79 79 GLY N N 15 107.168 0.300 . 1 . . . . 79 GLY N . 26597 1 369 . 1 1 80 80 ILE H H 1 6.303 0.020 . 1 . . . . 80 ILE H . 26597 1 370 . 1 1 80 80 ILE CA C 13 59.770 0.300 . 1 . . . . 80 ILE CA . 26597 1 371 . 1 1 80 80 ILE N N 15 126.292 0.300 . 1 . . . . 80 ILE N . 26597 1 372 . 1 1 81 81 PRO C C 13 175.200 0.300 . 1 . . . . 81 PRO C . 26597 1 373 . 1 1 81 81 PRO CA C 13 63.033 0.300 . 1 . . . . 81 PRO CA . 26597 1 374 . 1 1 81 81 PRO CB C 13 30.861 0.300 . 1 . . . . 81 PRO CB . 26597 1 375 . 1 1 82 82 VAL H H 1 7.441 0.020 . 1 . . . . 82 VAL H . 26597 1 376 . 1 1 82 82 VAL C C 13 175.819 0.300 . 1 . . . . 82 VAL C . 26597 1 377 . 1 1 82 82 VAL CA C 13 59.141 0.300 . 1 . . . . 82 VAL CA . 26597 1 378 . 1 1 82 82 VAL CB C 13 30.792 0.300 . 1 . . . . 82 VAL CB . 26597 1 379 . 1 1 82 82 VAL N N 15 108.478 0.300 . 1 . . . . 82 VAL N . 26597 1 380 . 1 1 83 83 ASP H H 1 7.674 0.020 . 1 . . . . 83 ASP H . 26597 1 381 . 1 1 83 83 ASP C C 13 175.425 0.300 . 1 . . . . 83 ASP C . 26597 1 382 . 1 1 83 83 ASP CA C 13 53.324 0.300 . 1 . . . . 83 ASP CA . 26597 1 383 . 1 1 83 83 ASP CB C 13 40.919 0.300 . 1 . . . . 83 ASP CB . 26597 1 384 . 1 1 83 83 ASP N N 15 120.367 0.300 . 1 . . . . 83 ASP N . 26597 1 385 . 1 1 84 84 ILE H H 1 8.469 0.020 . 1 . . . . 84 ILE H . 26597 1 386 . 1 1 84 84 ILE C C 13 176.212 0.300 . 1 . . . . 84 ILE C . 26597 1 387 . 1 1 84 84 ILE CA C 13 60.318 0.300 . 1 . . . . 84 ILE CA . 26597 1 388 . 1 1 84 84 ILE CB C 13 35.506 0.300 . 1 . . . . 84 ILE CB . 26597 1 389 . 1 1 84 84 ILE N N 15 121.964 0.300 . 1 . . . . 84 ILE N . 26597 1 390 . 1 1 85 85 HIS H H 1 8.516 0.020 . 1 . . . . 85 HIS H . 26597 1 391 . 1 1 85 85 HIS C C 13 176.507 0.300 . 1 . . . . 85 HIS C . 26597 1 392 . 1 1 85 85 HIS CA C 13 56.160 0.300 . 1 . . . . 85 HIS CA . 26597 1 393 . 1 1 85 85 HIS CB C 13 30.953 0.300 . 1 . . . . 85 HIS CB . 26597 1 394 . 1 1 85 85 HIS N N 15 130.893 0.300 . 1 . . . . 85 HIS N . 26597 1 395 . 1 1 86 86 LYS H H 1 8.581 0.020 . 1 . . . . 86 LYS H . 26597 1 396 . 1 1 86 86 LYS C C 13 177.583 0.300 . 1 . . . . 86 LYS C . 26597 1 397 . 1 1 86 86 LYS CA C 13 58.836 0.300 . 1 . . . . 86 LYS CA . 26597 1 398 . 1 1 86 86 LYS CB C 13 31.167 0.300 . 1 . . . . 86 LYS CB . 26597 1 399 . 1 1 86 86 LYS N N 15 127.318 0.300 . 1 . . . . 86 LYS N . 26597 1 400 . 1 1 87 87 GLU H H 1 8.683 0.020 . 1 . . . . 87 GLU H . 26597 1 401 . 1 1 87 87 GLU C C 13 178.050 0.300 . 1 . . . . 87 GLU C . 26597 1 402 . 1 1 87 87 GLU CA C 13 58.202 0.300 . 1 . . . . 87 GLU CA . 26597 1 403 . 1 1 87 87 GLU CB C 13 29.131 0.300 . 1 . . . . 87 GLU CB . 26597 1 404 . 1 1 87 87 GLU N N 15 118.383 0.300 . 1 . . . . 87 GLU N . 26597 1 405 . 1 1 88 88 GLU H H 1 8.723 0.020 . 1 . . . . 88 GLU H . 26597 1 406 . 1 1 88 88 GLU C C 13 178.297 0.300 . 1 . . . . 88 GLU C . 26597 1 407 . 1 1 88 88 GLU CA C 13 56.844 0.300 . 1 . . . . 88 GLU CA . 26597 1 408 . 1 1 88 88 GLU CB C 13 29.257 0.300 . 1 . . . . 88 GLU CB . 26597 1 409 . 1 1 88 88 GLU N N 15 117.802 0.300 . 1 . . . . 88 GLU N . 26597 1 410 . 1 1 89 89 GLY H H 1 8.267 0.020 . 1 . . . . 89 GLY H . 26597 1 411 . 1 1 89 89 GLY C C 13 173.233 0.300 . 1 . . . . 89 GLY C . 26597 1 412 . 1 1 89 89 GLY CA C 13 45.638 0.300 . 1 . . . . 89 GLY CA . 26597 1 413 . 1 1 89 89 GLY N N 15 106.214 0.300 . 1 . . . . 89 GLY N . 26597 1 414 . 1 1 90 90 VAL H H 1 6.822 0.020 . 1 . . . . 90 VAL H . 26597 1 415 . 1 1 90 90 VAL C C 13 174.915 0.300 . 1 . . . . 90 VAL C . 26597 1 416 . 1 1 90 90 VAL CA C 13 58.195 0.300 . 1 . . . . 90 VAL CA . 26597 1 417 . 1 1 90 90 VAL CB C 13 34.352 0.300 . 1 . . . . 90 VAL CB . 26597 1 418 . 1 1 90 90 VAL N N 15 110.558 0.300 . 1 . . . . 90 VAL N . 26597 1 419 . 1 1 91 91 SER H H 1 8.009 0.020 . 1 . . . . 91 SER H . 26597 1 420 . 1 1 91 91 SER C C 13 173.702 0.300 . 1 . . . . 91 SER C . 26597 1 421 . 1 1 91 91 SER CA C 13 58.581 0.300 . 1 . . . . 91 SER CA . 26597 1 422 . 1 1 91 91 SER CB C 13 64.902 0.300 . 1 . . . . 91 SER CB . 26597 1 423 . 1 1 91 91 SER N N 15 117.115 0.300 . 1 . . . . 91 SER N . 26597 1 424 . 1 1 92 92 ALA H H 1 8.516 0.020 . 1 . . . . 92 ALA H . 26597 1 425 . 1 1 92 92 ALA C C 13 179.602 0.300 . 1 . . . . 92 ALA C . 26597 1 426 . 1 1 92 92 ALA CA C 13 54.605 0.300 . 1 . . . . 92 ALA CA . 26597 1 427 . 1 1 92 92 ALA CB C 13 16.231 0.300 . 1 . . . . 92 ALA CB . 26597 1 428 . 1 1 92 92 ALA N N 15 124.492 0.300 . 1 . . . . 92 ALA N . 26597 1 429 . 1 1 93 93 ALA H H 1 6.682 0.020 . 1 . . . . 93 ALA H . 26597 1 430 . 1 1 93 93 ALA C C 13 177.029 0.300 . 1 . . . . 93 ALA C . 26597 1 431 . 1 1 93 93 ALA CA C 13 54.487 0.300 . 1 . . . . 93 ALA CA . 26597 1 432 . 1 1 93 93 ALA CB C 13 17.788 0.300 . 1 . . . . 93 ALA CB . 26597 1 433 . 1 1 93 93 ALA N N 15 118.134 0.300 . 1 . . . . 93 ALA N . 26597 1 434 . 1 1 94 94 GLU H H 1 7.508 0.020 . 1 . . . . 94 GLU H . 26597 1 435 . 1 1 94 94 GLU C C 13 180.422 0.300 . 1 . . . . 94 GLU C . 26597 1 436 . 1 1 94 94 GLU CA C 13 58.770 0.300 . 1 . . . . 94 GLU CA . 26597 1 437 . 1 1 94 94 GLU CB C 13 27.846 0.300 . 1 . . . . 94 GLU CB . 26597 1 438 . 1 1 94 94 GLU N N 15 118.643 0.300 . 1 . . . . 94 GLU N . 26597 1 439 . 1 1 95 95 VAL H H 1 7.769 0.020 . 1 . . . . 95 VAL H . 26597 1 440 . 1 1 95 95 VAL C C 13 177.807 0.300 . 1 . . . . 95 VAL C . 26597 1 441 . 1 1 95 95 VAL CA C 13 66.748 0.300 . 1 . . . . 95 VAL CA . 26597 1 442 . 1 1 95 95 VAL CB C 13 29.882 0.300 . 1 . . . . 95 VAL CB . 26597 1 443 . 1 1 95 95 VAL N N 15 122.360 0.300 . 1 . . . . 95 VAL N . 26597 1 444 . 1 1 96 96 ILE H H 1 7.519 0.020 . 1 . . . . 96 ILE H . 26597 1 445 . 1 1 96 96 ILE C C 13 176.970 0.300 . 1 . . . . 96 ILE C . 26597 1 446 . 1 1 96 96 ILE CA C 13 62.355 0.300 . 1 . . . . 96 ILE CA . 26597 1 447 . 1 1 96 96 ILE CB C 13 36.204 0.300 . 1 . . . . 96 ILE CB . 26597 1 448 . 1 1 96 96 ILE N N 15 118.103 0.300 . 1 . . . . 96 ILE N . 26597 1 449 . 1 1 97 97 MET H H 1 7.462 0.020 . 1 . . . . 97 MET H . 26597 1 450 . 1 1 97 97 MET C C 13 178.625 0.300 . 1 . . . . 97 MET C . 26597 1 451 . 1 1 97 97 MET CA C 13 54.362 0.300 . 1 . . . . 97 MET CA . 26597 1 452 . 1 1 97 97 MET CB C 13 30.289 0.300 . 1 . . . . 97 MET CB . 26597 1 453 . 1 1 97 97 MET N N 15 112.629 0.300 . 1 . . . . 97 MET N . 26597 1 454 . 1 1 98 98 THR H H 1 7.566 0.020 . 1 . . . . 98 THR H . 26597 1 455 . 1 1 98 98 THR C C 13 173.379 0.300 . 1 . . . . 98 THR C . 26597 1 456 . 1 1 98 98 THR CA C 13 61.534 0.300 . 1 . . . . 98 THR CA . 26597 1 457 . 1 1 98 98 THR CB C 13 71.363 0.300 . 1 . . . . 98 THR CB . 26597 1 458 . 1 1 98 98 THR N N 15 106.734 0.300 . 1 . . . . 98 THR N . 26597 1 459 . 1 1 99 99 VAL H H 1 7.609 0.020 . 1 . . . . 99 VAL H . 26597 1 460 . 1 1 99 99 VAL C C 13 174.096 0.300 . 1 . . . . 99 VAL C . 26597 1 461 . 1 1 99 99 VAL CA C 13 61.899 0.300 . 1 . . . . 99 VAL CA . 26597 1 462 . 1 1 99 99 VAL CB C 13 31.622 0.300 . 1 . . . . 99 VAL CB . 26597 1 463 . 1 1 99 99 VAL N N 15 122.771 0.300 . 1 . . . . 99 VAL N . 26597 1 464 . 1 1 100 100 LEU H H 1 7.852 0.020 . 1 . . . . 100 LEU H . 26597 1 465 . 1 1 100 100 LEU C C 13 176.307 0.300 . 1 . . . . 100 LEU C . 26597 1 466 . 1 1 100 100 LEU CA C 13 55.771 0.300 . 1 . . . . 100 LEU CA . 26597 1 467 . 1 1 100 100 LEU CB C 13 41.463 0.300 . 1 . . . . 100 LEU CB . 26597 1 468 . 1 1 100 100 LEU N N 15 122.452 0.300 . 1 . . . . 100 LEU N . 26597 1 469 . 1 1 101 101 HIS H H 1 8.145 0.020 . 1 . . . . 101 HIS H . 26597 1 470 . 1 1 101 101 HIS C C 13 175.336 0.300 . 1 . . . . 101 HIS C . 26597 1 471 . 1 1 101 101 HIS CA C 13 55.813 0.300 . 1 . . . . 101 HIS CA . 26597 1 472 . 1 1 101 101 HIS CB C 13 29.669 0.300 . 1 . . . . 101 HIS CB . 26597 1 473 . 1 1 101 101 HIS N N 15 120.451 0.300 . 1 . . . . 101 HIS N . 26597 1 474 . 1 1 102 102 ALA H H 1 8.154 0.020 . 1 . . . . 102 ALA H . 26597 1 475 . 1 1 102 102 ALA C C 13 178.129 0.300 . 1 . . . . 102 ALA C . 26597 1 476 . 1 1 102 102 ALA CA C 13 52.394 0.300 . 1 . . . . 102 ALA CA . 26597 1 477 . 1 1 102 102 ALA CB C 13 18.138 0.300 . 1 . . . . 102 ALA CB . 26597 1 478 . 1 1 102 102 ALA N N 15 125.238 0.300 . 1 . . . . 102 ALA N . 26597 1 479 . 1 1 103 103 GLY H H 1 8.394 0.020 . 1 . . . . 103 GLY H . 26597 1 480 . 1 1 103 103 GLY C C 13 174.629 0.300 . 1 . . . . 103 GLY C . 26597 1 481 . 1 1 103 103 GLY CA C 13 44.996 0.300 . 1 . . . . 103 GLY CA . 26597 1 482 . 1 1 103 103 GLY N N 15 108.399 0.300 . 1 . . . . 103 GLY N . 26597 1 483 . 1 1 104 104 GLY H H 1 8.102 0.020 . 1 . . . . 104 GLY H . 26597 1 484 . 1 1 104 104 GLY C C 13 173.941 0.300 . 1 . . . . 104 GLY C . 26597 1 485 . 1 1 104 104 GLY CA C 13 44.868 0.300 . 1 . . . . 104 GLY CA . 26597 1 486 . 1 1 104 104 GLY N N 15 108.788 0.300 . 1 . . . . 104 GLY N . 26597 1 487 . 1 1 105 105 LYS H H 1 7.985 0.020 . 1 . . . . 105 LYS H . 26597 1 488 . 1 1 105 105 LYS C C 13 175.922 0.300 . 1 . . . . 105 LYS C . 26597 1 489 . 1 1 105 105 LYS CA C 13 55.764 0.300 . 1 . . . . 105 LYS CA . 26597 1 490 . 1 1 105 105 LYS CB C 13 31.905 0.300 . 1 . . . . 105 LYS CB . 26597 1 491 . 1 1 105 105 LYS N N 15 120.819 0.300 . 1 . . . . 105 LYS N . 26597 1 492 . 1 1 106 106 PHE H H 1 8.031 0.020 . 1 . . . . 106 PHE H . 26597 1 493 . 1 1 106 106 PHE C C 13 174.723 0.300 . 1 . . . . 106 PHE C . 26597 1 494 . 1 1 106 106 PHE CA C 13 57.034 0.300 . 1 . . . . 106 PHE CA . 26597 1 495 . 1 1 106 106 PHE CB C 13 39.311 0.300 . 1 . . . . 106 PHE CB . 26597 1 496 . 1 1 106 106 PHE N N 15 120.824 0.300 . 1 . . . . 106 PHE N . 26597 1 497 . 1 1 107 107 ASP H H 1 8.064 0.020 . 1 . . . . 107 ASP H . 26597 1 498 . 1 1 107 107 ASP C C 13 176.334 0.300 . 1 . . . . 107 ASP C . 26597 1 499 . 1 1 107 107 ASP CA C 13 53.133 0.300 . 1 . . . . 107 ASP CA . 26597 1 500 . 1 1 107 107 ASP CB C 13 40.937 0.300 . 1 . . . . 107 ASP CB . 26597 1 501 . 1 1 107 107 ASP N N 15 123.343 0.300 . 1 . . . . 107 ASP N . 26597 1 502 . 1 1 108 108 VAL H H 1 8.093 0.020 . 1 . . . . 108 VAL H . 26597 1 503 . 1 1 108 108 VAL C C 13 176.123 0.300 . 1 . . . . 108 VAL C . 26597 1 504 . 1 1 108 108 VAL CA C 13 62.769 0.300 . 1 . . . . 108 VAL CA . 26597 1 505 . 1 1 108 108 VAL CB C 13 31.086 0.300 . 1 . . . . 108 VAL CB . 26597 1 506 . 1 1 108 108 VAL N N 15 121.343 0.300 . 1 . . . . 108 VAL N . 26597 1 507 . 1 1 109 109 ASN H H 1 8.379 0.020 . 1 . . . . 109 ASN H . 26597 1 508 . 1 1 109 109 ASN C C 13 175.889 0.300 . 1 . . . . 109 ASN C . 26597 1 509 . 1 1 109 109 ASN CA C 13 53.806 0.300 . 1 . . . . 109 ASN CA . 26597 1 510 . 1 1 109 109 ASN CB C 13 38.260 0.300 . 1 . . . . 109 ASN CB . 26597 1 511 . 1 1 109 109 ASN N N 15 119.497 0.300 . 1 . . . . 109 ASN N . 26597 1 512 . 1 1 110 110 THR H H 1 7.735 0.020 . 1 . . . . 110 THR H . 26597 1 513 . 1 1 110 110 THR C C 13 174.467 0.300 . 1 . . . . 110 THR C . 26597 1 514 . 1 1 110 110 THR CA C 13 62.357 0.300 . 1 . . . . 110 THR CA . 26597 1 515 . 1 1 110 110 THR CB C 13 69.109 0.300 . 1 . . . . 110 THR CB . 26597 1 516 . 1 1 110 110 THR N N 15 113.726 0.300 . 1 . . . . 110 THR N . 26597 1 517 . 1 1 111 111 TYR H H 1 7.922 0.020 . 1 . . . . 111 TYR H . 26597 1 518 . 1 1 111 111 TYR C C 13 175.650 0.300 . 1 . . . . 111 TYR C . 26597 1 519 . 1 1 111 111 TYR CA C 13 58.074 0.300 . 1 . . . . 111 TYR CA . 26597 1 520 . 1 1 111 111 TYR CB C 13 37.701 0.300 . 1 . . . . 111 TYR CB . 26597 1 521 . 1 1 111 111 TYR N N 15 121.994 0.300 . 1 . . . . 111 TYR N . 26597 1 522 . 1 1 112 112 LYS H H 1 7.890 0.020 . 1 . . . . 112 LYS H . 26597 1 523 . 1 1 112 112 LYS C C 13 176.663 0.300 . 1 . . . . 112 LYS C . 26597 1 524 . 1 1 112 112 LYS CA C 13 55.837 0.300 . 1 . . . . 112 LYS CA . 26597 1 525 . 1 1 112 112 LYS CB C 13 32.162 0.300 . 1 . . . . 112 LYS CB . 26597 1 526 . 1 1 112 112 LYS N N 15 122.393 0.300 . 1 . . . . 112 LYS N . 26597 1 527 . 1 1 113 113 VAL H H 1 7.994 0.020 . 1 . . . . 113 VAL H . 26597 1 528 . 1 1 113 113 VAL C C 13 176.474 0.300 . 1 . . . . 113 VAL C . 26597 1 529 . 1 1 113 113 VAL CA C 13 62.232 0.300 . 1 . . . . 113 VAL CA . 26597 1 530 . 1 1 113 113 VAL CB C 13 31.791 0.300 . 1 . . . . 113 VAL CB . 26597 1 531 . 1 1 113 113 VAL N N 15 120.822 0.300 . 1 . . . . 113 VAL N . 26597 1 532 . 1 1 114 114 SER H H 1 8.148 0.020 . 1 . . . . 114 SER H . 26597 1 533 . 1 1 114 114 SER C C 13 175.010 0.300 . 1 . . . . 114 SER C . 26597 1 534 . 1 1 114 114 SER CA C 13 58.166 0.300 . 1 . . . . 114 SER CA . 26597 1 535 . 1 1 114 114 SER CB C 13 63.452 0.300 . 1 . . . . 114 SER CB . 26597 1 536 . 1 1 114 114 SER N N 15 117.966 0.300 . 1 . . . . 114 SER N . 26597 1 537 . 1 1 115 115 GLY H H 1 8.243 0.020 . 1 . . . . 115 GLY H . 26597 1 538 . 1 1 115 115 GLY C C 13 174.490 0.300 . 1 . . . . 115 GLY C . 26597 1 539 . 1 1 115 115 GLY CA C 13 44.965 0.300 . 1 . . . . 115 GLY CA . 26597 1 540 . 1 1 115 115 GLY N N 15 111.132 0.300 . 1 . . . . 115 GLY N . 26597 1 541 . 1 1 116 116 GLY H H 1 8.125 0.020 . 1 . . . . 116 GLY H . 26597 1 542 . 1 1 116 116 GLY C C 13 173.455 0.300 . 1 . . . . 116 GLY C . 26597 1 543 . 1 1 116 116 GLY CA C 13 44.457 0.300 . 1 . . . . 116 GLY CA . 26597 1 544 . 1 1 116 116 GLY N N 15 108.783 0.300 . 1 . . . . 116 GLY N . 26597 1 545 . 1 1 117 117 LEU H H 1 8.132 0.020 . 1 . . . . 117 LEU H . 26597 1 546 . 1 1 117 117 LEU C C 13 177.142 0.300 . 1 . . . . 117 LEU C . 26597 1 547 . 1 1 117 117 LEU CA C 13 54.538 0.300 . 1 . . . . 117 LEU CA . 26597 1 548 . 1 1 117 117 LEU CB C 13 41.395 0.300 . 1 . . . . 117 LEU CB . 26597 1 549 . 1 1 117 117 LEU N N 15 121.763 0.300 . 1 . . . . 117 LEU N . 26597 1 550 . 1 1 118 118 HIS H H 1 8.350 0.020 . 1 . . . . 118 HIS H . 26597 1 551 . 1 1 118 118 HIS C C 13 175.488 0.300 . 1 . . . . 118 HIS C . 26597 1 552 . 1 1 118 118 HIS CA C 13 55.893 0.300 . 1 . . . . 118 HIS CA . 26597 1 553 . 1 1 118 118 HIS CB C 13 28.992 0.300 . 1 . . . . 118 HIS CB . 26597 1 554 . 1 1 118 118 HIS N N 15 119.798 0.300 . 1 . . . . 118 HIS N . 26597 1 555 . 1 1 119 119 GLY H H 1 8.675 0.020 . 1 . . . . 119 GLY H . 26597 1 556 . 1 1 119 119 GLY C C 13 176.757 0.300 . 1 . . . . 119 GLY C . 26597 1 557 . 1 1 119 119 GLY CA C 13 45.245 0.300 . 1 . . . . 119 GLY CA . 26597 1 558 . 1 1 119 119 GLY N N 15 111.665 0.300 . 1 . . . . 119 GLY N . 26597 1 559 . 1 1 120 120 VAL H H 1 8.291 0.020 . 1 . . . . 120 VAL H . 26597 1 560 . 1 1 120 120 VAL C C 13 176.290 0.300 . 1 . . . . 120 VAL C . 26597 1 561 . 1 1 120 120 VAL CA C 13 62.419 0.300 . 1 . . . . 120 VAL CA . 26597 1 562 . 1 1 120 120 VAL N N 15 120.957 0.300 . 1 . . . . 120 VAL N . 26597 1 563 . 1 1 121 121 GLY H H 1 8.422 0.020 . 1 . . . . 121 GLY H . 26597 1 564 . 1 1 121 121 GLY C C 13 175.046 0.300 . 1 . . . . 121 GLY C . 26597 1 565 . 1 1 121 121 GLY CA C 13 44.519 0.300 . 1 . . . . 121 GLY CA . 26597 1 566 . 1 1 121 121 GLY N N 15 110.391 0.300 . 1 . . . . 121 GLY N . 26597 1 567 . 1 1 122 122 VAL H H 1 8.122 0.020 . 1 . . . . 122 VAL H . 26597 1 568 . 1 1 122 122 VAL C C 13 176.653 0.300 . 1 . . . . 122 VAL C . 26597 1 569 . 1 1 122 122 VAL CA C 13 64.313 0.300 . 1 . . . . 122 VAL CA . 26597 1 570 . 1 1 122 122 VAL CB C 13 30.946 0.300 . 1 . . . . 122 VAL CB . 26597 1 571 . 1 1 122 122 VAL N N 15 116.837 0.300 . 1 . . . . 122 VAL N . 26597 1 572 . 1 1 123 123 SER H H 1 8.349 0.020 . 1 . . . . 123 SER H . 26597 1 573 . 1 1 123 123 SER C C 13 176.877 0.300 . 1 . . . . 123 SER C . 26597 1 574 . 1 1 123 123 SER CA C 13 60.192 0.300 . 1 . . . . 123 SER CA . 26597 1 575 . 1 1 123 123 SER CB C 13 61.498 0.300 . 1 . . . . 123 SER CB . 26597 1 576 . 1 1 123 123 SER N N 15 118.304 0.300 . 1 . . . . 123 SER N . 26597 1 577 . 1 1 124 124 VAL H H 1 6.842 0.020 . 1 . . . . 124 VAL H . 26597 1 578 . 1 1 124 124 VAL C C 13 176.298 0.300 . 1 . . . . 124 VAL C . 26597 1 579 . 1 1 124 124 VAL CA C 13 65.656 0.300 . 1 . . . . 124 VAL CA . 26597 1 580 . 1 1 124 124 VAL CB C 13 30.194 0.300 . 1 . . . . 124 VAL CB . 26597 1 581 . 1 1 124 124 VAL N N 15 123.277 0.300 . 1 . . . . 124 VAL N . 26597 1 582 . 1 1 125 125 VAL H H 1 6.431 0.020 . 1 . . . . 125 VAL H . 26597 1 583 . 1 1 125 125 VAL C C 13 178.827 0.300 . 1 . . . . 125 VAL C . 26597 1 584 . 1 1 125 125 VAL CA C 13 64.500 0.300 . 1 . . . . 125 VAL CA . 26597 1 585 . 1 1 125 125 VAL CB C 13 29.997 0.300 . 1 . . . . 125 VAL CB . 26597 1 586 . 1 1 125 125 VAL N N 15 118.288 0.300 . 1 . . . . 125 VAL N . 26597 1 587 . 1 1 126 126 ASN H H 1 7.797 0.020 . 1 . . . . 126 ASN H . 26597 1 588 . 1 1 126 126 ASN C C 13 176.551 0.300 . 1 . . . . 126 ASN C . 26597 1 589 . 1 1 126 126 ASN CA C 13 54.786 0.300 . 1 . . . . 126 ASN CA . 26597 1 590 . 1 1 126 126 ASN CB C 13 37.557 0.300 . 1 . . . . 126 ASN CB . 26597 1 591 . 1 1 126 126 ASN N N 15 117.510 0.300 . 1 . . . . 126 ASN N . 26597 1 592 . 1 1 127 127 ALA H H 1 7.725 0.020 . 1 . . . . 127 ALA H . 26597 1 593 . 1 1 127 127 ALA C C 13 173.558 0.300 . 1 . . . . 127 ALA C . 26597 1 594 . 1 1 127 127 ALA CA C 13 54.286 0.300 . 1 . . . . 127 ALA CA . 26597 1 595 . 1 1 127 127 ALA CB C 13 17.799 0.300 . 1 . . . . 127 ALA CB . 26597 1 596 . 1 1 127 127 ALA N N 15 117.961 0.300 . 1 . . . . 127 ALA N . 26597 1 597 . 1 1 128 128 LEU H H 1 6.948 0.020 . 1 . . . . 128 LEU H . 26597 1 598 . 1 1 128 128 LEU C C 13 175.127 0.300 . 1 . . . . 128 LEU C . 26597 1 599 . 1 1 128 128 LEU CA C 13 53.275 0.300 . 1 . . . . 128 LEU CA . 26597 1 600 . 1 1 128 128 LEU CB C 13 39.510 0.300 . 1 . . . . 128 LEU CB . 26597 1 601 . 1 1 128 128 LEU N N 15 111.578 0.300 . 1 . . . . 128 LEU N . 26597 1 602 . 1 1 129 129 SER H H 1 7.567 0.020 . 1 . . . . 129 SER H . 26597 1 603 . 1 1 129 129 SER C C 13 174.986 0.300 . 1 . . . . 129 SER C . 26597 1 604 . 1 1 129 129 SER CA C 13 58.877 0.300 . 1 . . . . 129 SER CA . 26597 1 605 . 1 1 129 129 SER CB C 13 63.559 0.300 . 1 . . . . 129 SER CB . 26597 1 606 . 1 1 129 129 SER N N 15 117.482 0.300 . 1 . . . . 129 SER N . 26597 1 607 . 1 1 130 130 HIS H H 1 8.561 0.020 . 1 . . . . 130 HIS H . 26597 1 608 . 1 1 130 130 HIS C C 13 175.101 0.300 . 1 . . . . 130 HIS C . 26597 1 609 . 1 1 130 130 HIS CA C 13 58.100 0.300 . 1 . . . . 130 HIS CA . 26597 1 610 . 1 1 130 130 HIS CB C 13 31.021 0.300 . 1 . . . . 130 HIS CB . 26597 1 611 . 1 1 130 130 HIS N N 15 125.849 0.300 . 1 . . . . 130 HIS N . 26597 1 612 . 1 1 131 131 GLU H H 1 6.722 0.020 . 1 . . . . 131 GLU H . 26597 1 613 . 1 1 131 131 GLU C C 13 173.309 0.300 . 1 . . . . 131 GLU C . 26597 1 614 . 1 1 131 131 GLU CA C 13 54.937 0.300 . 1 . . . . 131 GLU CA . 26597 1 615 . 1 1 131 131 GLU CB C 13 33.203 0.300 . 1 . . . . 131 GLU CB . 26597 1 616 . 1 1 131 131 GLU N N 15 115.779 0.300 . 1 . . . . 131 GLU N . 26597 1 617 . 1 1 132 132 LEU H H 1 8.499 0.020 . 1 . . . . 132 LEU H . 26597 1 618 . 1 1 132 132 LEU C C 13 174.324 0.300 . 1 . . . . 132 LEU C . 26597 1 619 . 1 1 132 132 LEU CA C 13 55.070 0.300 . 1 . . . . 132 LEU CA . 26597 1 620 . 1 1 132 132 LEU CB C 13 43.383 0.300 . 1 . . . . 132 LEU CB . 26597 1 621 . 1 1 132 132 LEU N N 15 129.176 0.300 . 1 . . . . 132 LEU N . 26597 1 622 . 1 1 133 133 ARG H H 1 9.937 0.020 . 1 . . . . 133 ARG H . 26597 1 623 . 1 1 133 133 ARG C C 13 173.522 0.300 . 1 . . . . 133 ARG C . 26597 1 624 . 1 1 133 133 ARG CA C 13 54.824 0.300 . 1 . . . . 133 ARG CA . 26597 1 625 . 1 1 133 133 ARG CB C 13 32.114 0.300 . 1 . . . . 133 ARG CB . 26597 1 626 . 1 1 133 133 ARG N N 15 127.576 0.300 . 1 . . . . 133 ARG N . 26597 1 627 . 1 1 134 134 LEU H H 1 9.232 0.020 . 1 . . . . 134 LEU H . 26597 1 628 . 1 1 134 134 LEU C C 13 174.241 0.300 . 1 . . . . 134 LEU C . 26597 1 629 . 1 1 134 134 LEU CA C 13 53.044 0.300 . 1 . . . . 134 LEU CA . 26597 1 630 . 1 1 134 134 LEU CB C 13 44.971 0.300 . 1 . . . . 134 LEU CB . 26597 1 631 . 1 1 134 134 LEU N N 15 133.097 0.300 . 1 . . . . 134 LEU N . 26597 1 632 . 1 1 135 135 THR H H 1 9.318 0.020 . 1 . . . . 135 THR H . 26597 1 633 . 1 1 135 135 THR C C 13 173.879 0.300 . 1 . . . . 135 THR C . 26597 1 634 . 1 1 135 135 THR CA C 13 61.543 0.300 . 1 . . . . 135 THR CA . 26597 1 635 . 1 1 135 135 THR CB C 13 70.065 0.300 . 1 . . . . 135 THR CB . 26597 1 636 . 1 1 135 135 THR N N 15 123.710 0.300 . 1 . . . . 135 THR N . 26597 1 637 . 1 1 136 136 ILE H H 1 9.843 0.020 . 1 . . . . 136 ILE H . 26597 1 638 . 1 1 136 136 ILE C C 13 174.121 0.300 . 1 . . . . 136 ILE C . 26597 1 639 . 1 1 136 136 ILE CA C 13 59.516 0.300 . 1 . . . . 136 ILE CA . 26597 1 640 . 1 1 136 136 ILE CB C 13 42.221 0.300 . 1 . . . . 136 ILE CB . 26597 1 641 . 1 1 136 136 ILE N N 15 129.418 0.300 . 1 . . . . 136 ILE N . 26597 1 642 . 1 1 137 137 ARG H H 1 9.219 0.020 . 1 . . . . 137 ARG H . 26597 1 643 . 1 1 137 137 ARG C C 13 174.220 0.300 . 1 . . . . 137 ARG C . 26597 1 644 . 1 1 137 137 ARG CA C 13 54.324 0.300 . 1 . . . . 137 ARG CA . 26597 1 645 . 1 1 137 137 ARG CB C 13 28.488 0.300 . 1 . . . . 137 ARG CB . 26597 1 646 . 1 1 137 137 ARG N N 15 128.816 0.300 . 1 . . . . 137 ARG N . 26597 1 647 . 1 1 138 138 ARG H H 1 8.964 0.020 . 1 . . . . 138 ARG H . 26597 1 648 . 1 1 138 138 ARG C C 13 176.528 0.300 . 1 . . . . 138 ARG C . 26597 1 649 . 1 1 138 138 ARG CA C 13 56.034 0.300 . 1 . . . . 138 ARG CA . 26597 1 650 . 1 1 138 138 ARG CB C 13 32.498 0.300 . 1 . . . . 138 ARG CB . 26597 1 651 . 1 1 138 138 ARG N N 15 122.507 0.300 . 1 . . . . 138 ARG N . 26597 1 652 . 1 1 139 139 HIS H H 1 9.481 0.020 . 1 . . . . 139 HIS H . 26597 1 653 . 1 1 139 139 HIS C C 13 174.799 0.300 . 1 . . . . 139 HIS C . 26597 1 654 . 1 1 139 139 HIS CA C 13 56.011 0.300 . 1 . . . . 139 HIS CA . 26597 1 655 . 1 1 139 139 HIS CB C 13 27.088 0.300 . 1 . . . . 139 HIS CB . 26597 1 656 . 1 1 139 139 HIS N N 15 125.989 0.300 . 1 . . . . 139 HIS N . 26597 1 657 . 1 1 140 140 ASN H H 1 9.277 0.020 . 1 . . . . 140 ASN H . 26597 1 658 . 1 1 140 140 ASN C C 13 174.703 0.300 . 1 . . . . 140 ASN C . 26597 1 659 . 1 1 140 140 ASN CA C 13 55.632 0.300 . 1 . . . . 140 ASN CA . 26597 1 660 . 1 1 140 140 ASN CB C 13 36.525 0.300 . 1 . . . . 140 ASN CB . 26597 1 661 . 1 1 140 140 ASN N N 15 109.452 0.300 . 1 . . . . 140 ASN N . 26597 1 662 . 1 1 141 141 LYS H H 1 7.841 0.020 . 1 . . . . 141 LYS H . 26597 1 663 . 1 1 141 141 LYS C C 13 173.092 0.300 . 1 . . . . 141 LYS C . 26597 1 664 . 1 1 141 141 LYS CA C 13 53.771 0.300 . 1 . . . . 141 LYS CA . 26597 1 665 . 1 1 141 141 LYS N N 15 120.538 0.300 . 1 . . . . 141 LYS N . 26597 1 666 . 1 1 142 142 VAL H H 1 7.711 0.020 . 1 . . . . 142 VAL H . 26597 1 667 . 1 1 142 142 VAL C C 13 174.487 0.300 . 1 . . . . 142 VAL C . 26597 1 668 . 1 1 142 142 VAL CA C 13 60.225 0.300 . 1 . . . . 142 VAL CA . 26597 1 669 . 1 1 142 142 VAL CB C 13 31.463 0.300 . 1 . . . . 142 VAL CB . 26597 1 670 . 1 1 142 142 VAL N N 15 120.382 0.300 . 1 . . . . 142 VAL N . 26597 1 671 . 1 1 143 143 TRP H H 1 9.746 0.020 . 1 . . . . 143 TRP H . 26597 1 672 . 1 1 143 143 TRP C C 13 175.703 0.300 . 1 . . . . 143 TRP C . 26597 1 673 . 1 1 143 143 TRP CA C 13 54.190 0.300 . 1 . . . . 143 TRP CA . 26597 1 674 . 1 1 143 143 TRP CB C 13 31.275 0.300 . 1 . . . . 143 TRP CB . 26597 1 675 . 1 1 143 143 TRP N N 15 129.293 0.300 . 1 . . . . 143 TRP N . 26597 1 676 . 1 1 144 144 GLU H H 1 9.404 0.020 . 1 . . . . 144 GLU H . 26597 1 677 . 1 1 144 144 GLU C C 13 175.741 0.300 . 1 . . . . 144 GLU C . 26597 1 678 . 1 1 144 144 GLU CA C 13 53.867 0.300 . 1 . . . . 144 GLU CA . 26597 1 679 . 1 1 144 144 GLU CB C 13 34.934 0.300 . 1 . . . . 144 GLU CB . 26597 1 680 . 1 1 144 144 GLU N N 15 120.709 0.300 . 1 . . . . 144 GLU N . 26597 1 681 . 1 1 145 145 GLN H H 1 9.023 0.020 . 1 . . . . 145 GLN H . 26597 1 682 . 1 1 145 145 GLN C C 13 171.983 0.300 . 1 . . . . 145 GLN C . 26597 1 683 . 1 1 145 145 GLN CA C 13 56.878 0.300 . 1 . . . . 145 GLN CA . 26597 1 684 . 1 1 145 145 GLN CB C 13 32.109 0.300 . 1 . . . . 145 GLN CB . 26597 1 685 . 1 1 145 145 GLN N N 15 123.260 0.300 . 1 . . . . 145 GLN N . 26597 1 686 . 1 1 146 146 VAL H H 1 5.318 0.020 . 1 . . . . 146 VAL H . 26597 1 687 . 1 1 146 146 VAL C C 13 172.694 0.300 . 1 . . . . 146 VAL C . 26597 1 688 . 1 1 146 146 VAL CA C 13 60.083 0.300 . 1 . . . . 146 VAL CA . 26597 1 689 . 1 1 146 146 VAL N N 15 123.979 0.300 . 1 . . . . 146 VAL N . 26597 1 690 . 1 1 147 147 TYR H H 1 9.206 0.020 . 1 . . . . 147 TYR H . 26597 1 691 . 1 1 147 147 TYR C C 13 174.561 0.300 . 1 . . . . 147 TYR C . 26597 1 692 . 1 1 147 147 TYR CA C 13 54.545 0.300 . 1 . . . . 147 TYR CA . 26597 1 693 . 1 1 147 147 TYR CB C 13 41.776 0.300 . 1 . . . . 147 TYR CB . 26597 1 694 . 1 1 147 147 TYR N N 15 125.506 0.300 . 1 . . . . 147 TYR N . 26597 1 695 . 1 1 148 148 HIS H H 1 8.063 0.020 . 1 . . . . 148 HIS H . 26597 1 696 . 1 1 148 148 HIS C C 13 175.836 0.300 . 1 . . . . 148 HIS C . 26597 1 697 . 1 1 148 148 HIS CA C 13 54.352 0.300 . 1 . . . . 148 HIS CA . 26597 1 698 . 1 1 148 148 HIS CB C 13 31.193 0.300 . 1 . . . . 148 HIS CB . 26597 1 699 . 1 1 148 148 HIS N N 15 116.151 0.300 . 1 . . . . 148 HIS N . 26597 1 700 . 1 1 149 149 HIS H H 1 7.855 0.020 . 1 . . . . 149 HIS H . 26597 1 701 . 1 1 149 149 HIS C C 13 175.212 0.300 . 1 . . . . 149 HIS C . 26597 1 702 . 1 1 149 149 HIS CA C 13 57.415 0.300 . 1 . . . . 149 HIS CA . 26597 1 703 . 1 1 149 149 HIS CB C 13 27.159 0.300 . 1 . . . . 149 HIS CB . 26597 1 704 . 1 1 149 149 HIS N N 15 126.569 0.300 . 1 . . . . 149 HIS N . 26597 1 705 . 1 1 150 150 GLY H H 1 8.990 0.020 . 1 . . . . 150 GLY H . 26597 1 706 . 1 1 150 150 GLY C C 13 172.689 0.300 . 1 . . . . 150 GLY C . 26597 1 707 . 1 1 150 150 GLY CA C 13 44.148 0.300 . 1 . . . . 150 GLY CA . 26597 1 708 . 1 1 150 150 GLY N N 15 105.471 0.300 . 1 . . . . 150 GLY N . 26597 1 709 . 1 1 151 151 VAL H H 1 7.863 0.020 . 1 . . . . 151 VAL H . 26597 1 710 . 1 1 151 151 VAL CA C 13 59.231 0.300 . 1 . . . . 151 VAL CA . 26597 1 711 . 1 1 151 151 VAL CB C 13 32.150 0.300 . 1 . . . . 151 VAL CB . 26597 1 712 . 1 1 151 151 VAL N N 15 122.384 0.300 . 1 . . . . 151 VAL N . 26597 1 713 . 1 1 152 152 PRO C C 13 176.940 0.300 . 1 . . . . 152 PRO C . 26597 1 714 . 1 1 152 152 PRO CA C 13 62.242 0.300 . 1 . . . . 152 PRO CA . 26597 1 715 . 1 1 152 152 PRO CB C 13 30.810 0.300 . 1 . . . . 152 PRO CB . 26597 1 716 . 1 1 153 153 GLN H H 1 8.943 0.020 . 1 . . . . 153 GLN H . 26597 1 717 . 1 1 153 153 GLN C C 13 174.899 0.300 . 1 . . . . 153 GLN C . 26597 1 718 . 1 1 153 153 GLN CA C 13 55.631 0.300 . 1 . . . . 153 GLN CA . 26597 1 719 . 1 1 153 153 GLN CB C 13 28.858 0.300 . 1 . . . . 153 GLN CB . 26597 1 720 . 1 1 153 153 GLN N N 15 123.671 0.300 . 1 . . . . 153 GLN N . 26597 1 721 . 1 1 154 154 PHE H H 1 7.037 0.020 . 1 . . . . 154 PHE H . 26597 1 722 . 1 1 154 154 PHE C C 13 172.530 0.300 . 1 . . . . 154 PHE C . 26597 1 723 . 1 1 154 154 PHE CA C 13 53.635 0.300 . 1 . . . . 154 PHE CA . 26597 1 724 . 1 1 154 154 PHE CB C 13 36.847 0.300 . 1 . . . . 154 PHE CB . 26597 1 725 . 1 1 154 154 PHE N N 15 113.768 0.300 . 1 . . . . 154 PHE N . 26597 1 726 . 1 1 155 155 PRO C C 13 175.547 0.300 . 1 . . . . 155 PRO C . 26597 1 727 . 1 1 155 155 PRO CA C 13 62.386 0.300 . 1 . . . . 155 PRO CA . 26597 1 728 . 1 1 155 155 PRO CB C 13 31.303 0.300 . 1 . . . . 155 PRO CB . 26597 1 729 . 1 1 156 156 LEU H H 1 8.001 0.020 . 1 . . . . 156 LEU H . 26597 1 730 . 1 1 156 156 LEU C C 13 177.021 0.300 . 1 . . . . 156 LEU C . 26597 1 731 . 1 1 156 156 LEU CA C 13 56.784 0.300 . 1 . . . . 156 LEU CA . 26597 1 732 . 1 1 156 156 LEU CB C 13 40.864 0.300 . 1 . . . . 156 LEU CB . 26597 1 733 . 1 1 156 156 LEU N N 15 124.139 0.300 . 1 . . . . 156 LEU N . 26597 1 734 . 1 1 157 157 ARG H H 1 8.886 0.020 . 1 . . . . 157 ARG H . 26597 1 735 . 1 1 157 157 ARG C C 13 174.253 0.300 . 1 . . . . 157 ARG C . 26597 1 736 . 1 1 157 157 ARG CA C 13 53.632 0.300 . 1 . . . . 157 ARG CA . 26597 1 737 . 1 1 157 157 ARG CB C 13 32.453 0.300 . 1 . . . . 157 ARG CB . 26597 1 738 . 1 1 157 157 ARG N N 15 126.214 0.300 . 1 . . . . 157 ARG N . 26597 1 739 . 1 1 158 158 GLU H H 1 8.620 0.020 . 1 . . . . 158 GLU H . 26597 1 740 . 1 1 158 158 GLU C C 13 177.665 0.300 . 1 . . . . 158 GLU C . 26597 1 741 . 1 1 158 158 GLU CA C 13 55.368 0.300 . 1 . . . . 158 GLU CA . 26597 1 742 . 1 1 158 158 GLU CB C 13 28.854 0.300 . 1 . . . . 158 GLU CB . 26597 1 743 . 1 1 158 158 GLU N N 15 125.566 0.300 . 1 . . . . 158 GLU N . 26597 1 744 . 1 1 159 159 VAL H H 1 9.084 0.020 . 1 . . . . 159 VAL H . 26597 1 745 . 1 1 159 159 VAL C C 13 175.939 0.300 . 1 . . . . 159 VAL C . 26597 1 746 . 1 1 159 159 VAL CA C 13 60.569 0.300 . 1 . . . . 159 VAL CA . 26597 1 747 . 1 1 159 159 VAL CB C 13 32.560 0.300 . 1 . . . . 159 VAL CB . 26597 1 748 . 1 1 159 159 VAL N N 15 119.747 0.300 . 1 . . . . 159 VAL N . 26597 1 749 . 1 1 160 160 GLY H H 1 7.216 0.020 . 1 . . . . 160 GLY H . 26597 1 750 . 1 1 160 160 GLY C C 13 171.515 0.300 . 1 . . . . 160 GLY C . 26597 1 751 . 1 1 160 160 GLY CA C 13 44.711 0.300 . 1 . . . . 160 GLY CA . 26597 1 752 . 1 1 160 160 GLY N N 15 108.573 0.300 . 1 . . . . 160 GLY N . 26597 1 753 . 1 1 161 161 GLU H H 1 8.395 0.020 . 1 . . . . 161 GLU H . 26597 1 754 . 1 1 161 161 GLU C C 13 175.084 0.300 . 1 . . . . 161 GLU C . 26597 1 755 . 1 1 161 161 GLU CA C 13 54.709 0.300 . 1 . . . . 161 GLU CA . 26597 1 756 . 1 1 161 161 GLU CB C 13 31.551 0.300 . 1 . . . . 161 GLU CB . 26597 1 757 . 1 1 161 161 GLU N N 15 119.532 0.300 . 1 . . . . 161 GLU N . 26597 1 758 . 1 1 162 162 THR H H 1 7.559 0.020 . 1 . . . . 162 THR H . 26597 1 759 . 1 1 162 162 THR C C 13 171.102 0.300 . 1 . . . . 162 THR C . 26597 1 760 . 1 1 162 162 THR CA C 13 60.122 0.300 . 1 . . . . 162 THR CA . 26597 1 761 . 1 1 162 162 THR CB C 13 68.314 0.300 . 1 . . . . 162 THR CB . 26597 1 762 . 1 1 162 162 THR N N 15 115.372 0.300 . 1 . . . . 162 THR N . 26597 1 763 . 1 1 163 163 ASP H H 1 8.079 0.020 . 1 . . . . 163 ASP H . 26597 1 764 . 1 1 163 163 ASP C C 13 176.737 0.300 . 1 . . . . 163 ASP C . 26597 1 765 . 1 1 163 163 ASP CA C 13 53.199 0.300 . 1 . . . . 163 ASP CA . 26597 1 766 . 1 1 163 163 ASP CB C 13 40.704 0.300 . 1 . . . . 163 ASP CB . 26597 1 767 . 1 1 163 163 ASP N N 15 123.443 0.300 . 1 . . . . 163 ASP N . 26597 1 768 . 1 1 164 164 GLY H H 1 8.336 0.020 . 1 . . . . 164 GLY H . 26597 1 769 . 1 1 164 164 GLY C C 13 171.275 0.300 . 1 . . . . 164 GLY C . 26597 1 770 . 1 1 164 164 GLY CA C 13 43.609 0.300 . 1 . . . . 164 GLY CA . 26597 1 771 . 1 1 164 164 GLY N N 15 111.150 0.300 . 1 . . . . 164 GLY N . 26597 1 772 . 1 1 165 165 SER H H 1 7.826 0.020 . 1 . . . . 165 SER H . 26597 1 773 . 1 1 165 165 SER C C 13 173.215 0.300 . 1 . . . . 165 SER C . 26597 1 774 . 1 1 165 165 SER CA C 13 56.944 0.300 . 1 . . . . 165 SER CA . 26597 1 775 . 1 1 165 165 SER CB C 13 66.713 0.300 . 1 . . . . 165 SER CB . 26597 1 776 . 1 1 165 165 SER N N 15 111.306 0.300 . 1 . . . . 165 SER N . 26597 1 777 . 1 1 166 166 GLY H H 1 8.634 0.020 . 1 . . . . 166 GLY H . 26597 1 778 . 1 1 166 166 GLY C C 13 173.086 0.300 . 1 . . . . 166 GLY C . 26597 1 779 . 1 1 166 166 GLY CA C 13 44.342 0.300 . 1 . . . . 166 GLY CA . 26597 1 780 . 1 1 166 166 GLY N N 15 110.358 0.300 . 1 . . . . 166 GLY N . 26597 1 781 . 1 1 167 167 THR H H 1 7.628 0.020 . 1 . . . . 167 THR H . 26597 1 782 . 1 1 167 167 THR C C 13 172.464 0.300 . 1 . . . . 167 THR C . 26597 1 783 . 1 1 167 167 THR CA C 13 62.646 0.300 . 1 . . . . 167 THR CA . 26597 1 784 . 1 1 167 167 THR CB C 13 70.020 0.300 . 1 . . . . 167 THR CB . 26597 1 785 . 1 1 167 167 THR N N 15 117.995 0.300 . 1 . . . . 167 THR N . 26597 1 786 . 1 1 168 168 GLU H H 1 9.183 0.020 . 1 . . . . 168 GLU H . 26597 1 787 . 1 1 168 168 GLU C C 13 173.707 0.300 . 1 . . . . 168 GLU C . 26597 1 788 . 1 1 168 168 GLU CA C 13 54.413 0.300 . 1 . . . . 168 GLU CA . 26597 1 789 . 1 1 168 168 GLU CB C 13 32.561 0.300 . 1 . . . . 168 GLU CB . 26597 1 790 . 1 1 168 168 GLU N N 15 129.220 0.300 . 1 . . . . 168 GLU N . 26597 1 791 . 1 1 169 169 VAL H H 1 9.162 0.020 . 1 . . . . 169 VAL H . 26597 1 792 . 1 1 169 169 VAL C C 13 174.244 0.300 . 1 . . . . 169 VAL C . 26597 1 793 . 1 1 169 169 VAL CA C 13 60.654 0.300 . 1 . . . . 169 VAL CA . 26597 1 794 . 1 1 169 169 VAL CB C 13 33.677 0.300 . 1 . . . . 169 VAL CB . 26597 1 795 . 1 1 169 169 VAL N N 15 126.650 0.300 . 1 . . . . 169 VAL N . 26597 1 796 . 1 1 170 170 HIS H H 1 9.143 0.020 . 1 . . . . 170 HIS H . 26597 1 797 . 1 1 170 170 HIS C C 13 174.498 0.300 . 1 . . . . 170 HIS C . 26597 1 798 . 1 1 170 170 HIS CA C 13 52.949 0.300 . 1 . . . . 170 HIS CA . 26597 1 799 . 1 1 170 170 HIS CB C 13 31.576 0.300 . 1 . . . . 170 HIS CB . 26597 1 800 . 1 1 170 170 HIS N N 15 127.861 0.300 . 1 . . . . 170 HIS N . 26597 1 801 . 1 1 171 171 PHE H H 1 9.082 0.020 . 1 . . . . 171 PHE H . 26597 1 802 . 1 1 171 171 PHE C C 13 171.302 0.300 . 1 . . . . 171 PHE C . 26597 1 803 . 1 1 171 171 PHE CA C 13 55.190 0.300 . 1 . . . . 171 PHE CA . 26597 1 804 . 1 1 171 171 PHE CB C 13 41.356 0.300 . 1 . . . . 171 PHE CB . 26597 1 805 . 1 1 171 171 PHE N N 15 123.986 0.300 . 1 . . . . 171 PHE N . 26597 1 806 . 1 1 172 172 LYS H H 1 8.152 0.020 . 1 . . . . 172 LYS H . 26597 1 807 . 1 1 172 172 LYS C C 13 173.616 0.300 . 1 . . . . 172 LYS C . 26597 1 808 . 1 1 172 172 LYS CA C 13 51.510 0.300 . 1 . . . . 172 LYS CA . 26597 1 809 . 1 1 172 172 LYS CB C 13 32.951 0.300 . 1 . . . . 172 LYS CB . 26597 1 810 . 1 1 172 172 LYS N N 15 120.622 0.300 . 1 . . . . 172 LYS N . 26597 1 811 . 1 1 173 173 PRO C C 13 175.528 0.300 . 1 . . . . 173 PRO C . 26597 1 812 . 1 1 173 173 PRO CA C 13 62.361 0.300 . 1 . . . . 173 PRO CA . 26597 1 813 . 1 1 173 173 PRO CB C 13 31.962 0.300 . 1 . . . . 173 PRO CB . 26597 1 814 . 1 1 174 174 SER H H 1 9.310 0.020 . 1 . . . . 174 SER H . 26597 1 815 . 1 1 174 174 SER CA C 13 56.133 0.300 . 1 . . . . 174 SER CA . 26597 1 816 . 1 1 174 174 SER CB C 13 63.600 0.300 . 1 . . . . 174 SER CB . 26597 1 817 . 1 1 174 174 SER N N 15 116.704 0.300 . 1 . . . . 174 SER N . 26597 1 818 . 1 1 175 175 PRO C C 13 176.689 0.300 . 1 . . . . 175 PRO C . 26597 1 819 . 1 1 175 175 PRO CA C 13 63.447 0.300 . 1 . . . . 175 PRO CA . 26597 1 820 . 1 1 175 175 PRO CB C 13 30.810 0.300 . 1 . . . . 175 PRO CB . 26597 1 821 . 1 1 176 176 GLU H H 1 7.907 0.020 . 1 . . . . 176 GLU H . 26597 1 822 . 1 1 176 176 GLU C C 13 177.012 0.300 . 1 . . . . 176 GLU C . 26597 1 823 . 1 1 176 176 GLU CA C 13 57.079 0.300 . 1 . . . . 176 GLU CA . 26597 1 824 . 1 1 176 176 GLU CB C 13 28.632 0.300 . 1 . . . . 176 GLU CB . 26597 1 825 . 1 1 176 176 GLU N N 15 117.606 0.300 . 1 . . . . 176 GLU N . 26597 1 826 . 1 1 177 177 THR H H 1 7.236 0.020 . 1 . . . . 177 THR H . 26597 1 827 . 1 1 177 177 THR C C 13 173.050 0.300 . 1 . . . . 177 THR C . 26597 1 828 . 1 1 177 177 THR CA C 13 64.552 0.300 . 1 . . . . 177 THR CA . 26597 1 829 . 1 1 177 177 THR CB C 13 70.416 0.300 . 1 . . . . 177 THR CB . 26597 1 830 . 1 1 177 177 THR N N 15 115.577 0.300 . 1 . . . . 177 THR N . 26597 1 831 . 1 1 178 178 PHE H H 1 7.933 0.020 . 1 . . . . 178 PHE H . 26597 1 832 . 1 1 178 178 PHE C C 13 175.023 0.300 . 1 . . . . 178 PHE C . 26597 1 833 . 1 1 178 178 PHE CA C 13 56.906 0.300 . 1 . . . . 178 PHE CA . 26597 1 834 . 1 1 178 178 PHE CB C 13 40.133 0.300 . 1 . . . . 178 PHE CB . 26597 1 835 . 1 1 178 178 PHE N N 15 118.285 0.300 . 1 . . . . 178 PHE N . 26597 1 836 . 1 1 179 179 SER H H 1 8.035 0.020 . 1 . . . . 179 SER H . 26597 1 837 . 1 1 179 179 SER C C 13 173.521 0.300 . 1 . . . . 179 SER C . 26597 1 838 . 1 1 179 179 SER CA C 13 57.273 0.300 . 1 . . . . 179 SER CA . 26597 1 839 . 1 1 179 179 SER CB C 13 64.151 0.300 . 1 . . . . 179 SER CB . 26597 1 840 . 1 1 179 179 SER N N 15 115.752 0.300 . 1 . . . . 179 SER N . 26597 1 841 . 1 1 180 180 ASN H H 1 8.253 0.020 . 1 . . . . 180 ASN H . 26597 1 842 . 1 1 180 180 ASN C C 13 175.552 0.300 . 1 . . . . 180 ASN C . 26597 1 843 . 1 1 180 180 ASN CA C 13 53.014 0.300 . 1 . . . . 180 ASN CA . 26597 1 844 . 1 1 180 180 ASN CB C 13 37.707 0.300 . 1 . . . . 180 ASN CB . 26597 1 845 . 1 1 180 180 ASN N N 15 117.473 0.300 . 1 . . . . 180 ASN N . 26597 1 846 . 1 1 181 181 ILE H H 1 8.467 0.020 . 1 . . . . 181 ILE H . 26597 1 847 . 1 1 181 181 ILE C C 13 174.295 0.300 . 1 . . . . 181 ILE C . 26597 1 848 . 1 1 181 181 ILE CA C 13 61.970 0.300 . 1 . . . . 181 ILE CA . 26597 1 849 . 1 1 181 181 ILE CB C 13 35.680 0.300 . 1 . . . . 181 ILE CB . 26597 1 850 . 1 1 181 181 ILE N N 15 121.465 0.300 . 1 . . . . 181 ILE N . 26597 1 851 . 1 1 182 182 HIS H H 1 6.592 0.020 . 1 . . . . 182 HIS H . 26597 1 852 . 1 1 182 182 HIS C C 13 173.735 0.300 . 1 . . . . 182 HIS C . 26597 1 853 . 1 1 182 182 HIS CA C 13 54.063 0.300 . 1 . . . . 182 HIS CA . 26597 1 854 . 1 1 182 182 HIS CB C 13 29.260 0.300 . 1 . . . . 182 HIS CB . 26597 1 855 . 1 1 182 182 HIS N N 15 124.560 0.300 . 1 . . . . 182 HIS N . 26597 1 856 . 1 1 183 183 PHE H H 1 9.151 0.020 . 1 . . . . 183 PHE H . 26597 1 857 . 1 1 183 183 PHE C C 13 176.899 0.300 . 1 . . . . 183 PHE C . 26597 1 858 . 1 1 183 183 PHE CA C 13 59.310 0.300 . 1 . . . . 183 PHE CA . 26597 1 859 . 1 1 183 183 PHE CB C 13 39.927 0.300 . 1 . . . . 183 PHE CB . 26597 1 860 . 1 1 183 183 PHE N N 15 126.137 0.300 . 1 . . . . 183 PHE N . 26597 1 861 . 1 1 184 184 SER H H 1 12.522 0.020 . 1 . . . . 184 SER H . 26597 1 862 . 1 1 184 184 SER C C 13 175.694 0.300 . 1 . . . . 184 SER C . 26597 1 863 . 1 1 184 184 SER CA C 13 55.458 0.300 . 1 . . . . 184 SER CA . 26597 1 864 . 1 1 184 184 SER CB C 13 63.422 0.300 . 1 . . . . 184 SER CB . 26597 1 865 . 1 1 184 184 SER N N 15 123.608 0.300 . 1 . . . . 184 SER N . 26597 1 866 . 1 1 185 185 TRP H H 1 9.374 0.020 . 1 . . . . 185 TRP H . 26597 1 867 . 1 1 185 185 TRP C C 13 176.213 0.300 . 1 . . . . 185 TRP C . 26597 1 868 . 1 1 185 185 TRP CA C 13 61.336 0.300 . 1 . . . . 185 TRP CA . 26597 1 869 . 1 1 185 185 TRP CB C 13 28.318 0.300 . 1 . . . . 185 TRP CB . 26597 1 870 . 1 1 185 185 TRP N N 15 130.231 0.300 . 1 . . . . 185 TRP N . 26597 1 871 . 1 1 186 186 ASP H H 1 8.176 0.020 . 1 . . . . 186 ASP H . 26597 1 872 . 1 1 186 186 ASP C C 13 179.221 0.300 . 1 . . . . 186 ASP C . 26597 1 873 . 1 1 186 186 ASP CA C 13 57.428 0.300 . 1 . . . . 186 ASP CA . 26597 1 874 . 1 1 186 186 ASP CB C 13 40.186 0.300 . 1 . . . . 186 ASP CB . 26597 1 875 . 1 1 186 186 ASP N N 15 115.299 0.300 . 1 . . . . 186 ASP N . 26597 1 876 . 1 1 187 187 ILE H H 1 7.485 0.020 . 1 . . . . 187 ILE H . 26597 1 877 . 1 1 187 187 ILE C C 13 179.189 0.300 . 1 . . . . 187 ILE C . 26597 1 878 . 1 1 187 187 ILE CA C 13 64.333 0.300 . 1 . . . . 187 ILE CA . 26597 1 879 . 1 1 187 187 ILE CB C 13 36.954 0.300 . 1 . . . . 187 ILE CB . 26597 1 880 . 1 1 187 187 ILE N N 15 120.383 0.300 . 1 . . . . 187 ILE N . 26597 1 881 . 1 1 188 188 LEU H H 1 7.505 0.020 . 1 . . . . 188 LEU H . 26597 1 882 . 1 1 188 188 LEU C C 13 177.742 0.300 . 1 . . . . 188 LEU C . 26597 1 883 . 1 1 188 188 LEU CA C 13 57.901 0.300 . 1 . . . . 188 LEU CA . 26597 1 884 . 1 1 188 188 LEU CB C 13 40.868 0.300 . 1 . . . . 188 LEU CB . 26597 1 885 . 1 1 188 188 LEU N N 15 118.426 0.300 . 1 . . . . 188 LEU N . 26597 1 886 . 1 1 189 189 ALA H H 1 9.067 0.020 . 1 . . . . 189 ALA H . 26597 1 887 . 1 1 189 189 ALA C C 13 179.012 0.300 . 1 . . . . 189 ALA C . 26597 1 888 . 1 1 189 189 ALA CA C 13 54.565 0.300 . 1 . . . . 189 ALA CA . 26597 1 889 . 1 1 189 189 ALA CB C 13 17.047 0.300 . 1 . . . . 189 ALA CB . 26597 1 890 . 1 1 189 189 ALA N N 15 120.664 0.300 . 1 . . . . 189 ALA N . 26597 1 891 . 1 1 190 190 LYS H H 1 7.442 0.020 . 1 . . . . 190 LYS H . 26597 1 892 . 1 1 190 190 LYS C C 13 178.832 0.300 . 1 . . . . 190 LYS C . 26597 1 893 . 1 1 190 190 LYS CA C 13 59.293 0.300 . 1 . . . . 190 LYS CA . 26597 1 894 . 1 1 190 190 LYS CB C 13 31.506 0.300 . 1 . . . . 190 LYS CB . 26597 1 895 . 1 1 190 190 LYS N N 15 117.181 0.300 . 1 . . . . 190 LYS N . 26597 1 896 . 1 1 191 191 ARG H H 1 6.781 0.020 . 1 . . . . 191 ARG H . 26597 1 897 . 1 1 191 191 ARG C C 13 178.173 0.300 . 1 . . . . 191 ARG C . 26597 1 898 . 1 1 191 191 ARG CA C 13 56.446 0.300 . 1 . . . . 191 ARG CA . 26597 1 899 . 1 1 191 191 ARG CB C 13 28.810 0.300 . 1 . . . . 191 ARG CB . 26597 1 900 . 1 1 191 191 ARG N N 15 117.834 0.300 . 1 . . . . 191 ARG N . 26597 1 901 . 1 1 192 192 ILE H H 1 8.362 0.020 . 1 . . . . 192 ILE H . 26597 1 902 . 1 1 192 192 ILE C C 13 177.420 0.300 . 1 . . . . 192 ILE C . 26597 1 903 . 1 1 192 192 ILE CA C 13 64.502 0.300 . 1 . . . . 192 ILE CA . 26597 1 904 . 1 1 192 192 ILE CB C 13 35.580 0.300 . 1 . . . . 192 ILE CB . 26597 1 905 . 1 1 192 192 ILE N N 15 119.986 0.300 . 1 . . . . 192 ILE N . 26597 1 906 . 1 1 193 193 ARG H H 1 7.972 0.020 . 1 . . . . 193 ARG H . 26597 1 907 . 1 1 193 193 ARG C C 13 179.158 0.300 . 1 . . . . 193 ARG C . 26597 1 908 . 1 1 193 193 ARG CA C 13 59.567 0.300 . 1 . . . . 193 ARG CA . 26597 1 909 . 1 1 193 193 ARG CB C 13 28.481 0.300 . 1 . . . . 193 ARG CB . 26597 1 910 . 1 1 193 193 ARG N N 15 120.645 0.300 . 1 . . . . 193 ARG N . 26597 1 911 . 1 1 194 194 GLU H H 1 6.994 0.020 . 1 . . . . 194 GLU H . 26597 1 912 . 1 1 194 194 GLU C C 13 179.121 0.300 . 1 . . . . 194 GLU C . 26597 1 913 . 1 1 194 194 GLU CA C 13 58.668 0.300 . 1 . . . . 194 GLU CA . 26597 1 914 . 1 1 194 194 GLU CB C 13 28.481 0.300 . 1 . . . . 194 GLU CB . 26597 1 915 . 1 1 194 194 GLU N N 15 118.808 0.300 . 1 . . . . 194 GLU N . 26597 1 916 . 1 1 195 195 LEU H H 1 8.145 0.020 . 1 . . . . 195 LEU H . 26597 1 917 . 1 1 195 195 LEU C C 13 180.077 0.300 . 1 . . . . 195 LEU C . 26597 1 918 . 1 1 195 195 LEU CA C 13 56.907 0.300 . 1 . . . . 195 LEU CA . 26597 1 919 . 1 1 195 195 LEU CB C 13 41.328 0.300 . 1 . . . . 195 LEU CB . 26597 1 920 . 1 1 195 195 LEU N N 15 119.203 0.300 . 1 . . . . 195 LEU N . 26597 1 921 . 1 1 196 196 SER H H 1 8.544 0.020 . 1 . . . . 196 SER H . 26597 1 922 . 1 1 196 196 SER C C 13 175.645 0.300 . 1 . . . . 196 SER C . 26597 1 923 . 1 1 196 196 SER CA C 13 60.994 0.300 . 1 . . . . 196 SER CA . 26597 1 924 . 1 1 196 196 SER CB C 13 62.498 0.300 . 1 . . . . 196 SER CB . 26597 1 925 . 1 1 196 196 SER N N 15 116.787 0.300 . 1 . . . . 196 SER N . 26597 1 926 . 1 1 197 197 PHE H H 1 7.247 0.020 . 1 . . . . 197 PHE H . 26597 1 927 . 1 1 197 197 PHE C C 13 176.982 0.300 . 1 . . . . 197 PHE C . 26597 1 928 . 1 1 197 197 PHE CA C 13 59.170 0.300 . 1 . . . . 197 PHE CA . 26597 1 929 . 1 1 197 197 PHE CB C 13 38.133 0.300 . 1 . . . . 197 PHE CB . 26597 1 930 . 1 1 197 197 PHE N N 15 120.188 0.300 . 1 . . . . 197 PHE N . 26597 1 931 . 1 1 198 198 LEU H H 1 7.422 0.020 . 1 . . . . 198 LEU H . 26597 1 932 . 1 1 198 198 LEU C C 13 176.978 0.300 . 1 . . . . 198 LEU C . 26597 1 933 . 1 1 198 198 LEU CA C 13 55.406 0.300 . 1 . . . . 198 LEU CA . 26597 1 934 . 1 1 198 198 LEU CB C 13 41.914 0.300 . 1 . . . . 198 LEU CB . 26597 1 935 . 1 1 198 198 LEU N N 15 117.551 0.300 . 1 . . . . 198 LEU N . 26597 1 936 . 1 1 199 199 ASN H H 1 7.527 0.020 . 1 . . . . 199 ASN H . 26597 1 937 . 1 1 199 199 ASN C C 13 173.420 0.300 . 1 . . . . 199 ASN C . 26597 1 938 . 1 1 199 199 ASN CA C 13 51.682 0.300 . 1 . . . . 199 ASN CA . 26597 1 939 . 1 1 199 199 ASN CB C 13 38.668 0.300 . 1 . . . . 199 ASN CB . 26597 1 940 . 1 1 199 199 ASN N N 15 119.428 0.300 . 1 . . . . 199 ASN N . 26597 1 941 . 1 1 200 200 SER H H 1 7.999 0.020 . 1 . . . . 200 SER H . 26597 1 942 . 1 1 200 200 SER C C 13 175.756 0.300 . 1 . . . . 200 SER C . 26597 1 943 . 1 1 200 200 SER CA C 13 59.572 0.300 . 1 . . . . 200 SER CA . 26597 1 944 . 1 1 200 200 SER CB C 13 63.275 0.300 . 1 . . . . 200 SER CB . 26597 1 945 . 1 1 200 200 SER N N 15 115.665 0.300 . 1 . . . . 200 SER N . 26597 1 946 . 1 1 201 201 GLY H H 1 8.747 0.020 . 1 . . . . 201 GLY H . 26597 1 947 . 1 1 201 201 GLY C C 13 173.558 0.300 . 1 . . . . 201 GLY C . 26597 1 948 . 1 1 201 201 GLY CA C 13 44.867 0.300 . 1 . . . . 201 GLY CA . 26597 1 949 . 1 1 201 201 GLY N N 15 112.170 0.300 . 1 . . . . 201 GLY N . 26597 1 950 . 1 1 202 202 VAL H H 1 7.550 0.020 . 1 . . . . 202 VAL H . 26597 1 951 . 1 1 202 202 VAL C C 13 174.779 0.300 . 1 . . . . 202 VAL C . 26597 1 952 . 1 1 202 202 VAL CA C 13 60.343 0.300 . 1 . . . . 202 VAL CA . 26597 1 953 . 1 1 202 202 VAL CB C 13 32.239 0.300 . 1 . . . . 202 VAL CB . 26597 1 954 . 1 1 202 202 VAL N N 15 121.350 0.300 . 1 . . . . 202 VAL N . 26597 1 955 . 1 1 203 203 GLY H H 1 8.257 0.020 . 1 . . . . 203 GLY H . 26597 1 956 . 1 1 203 203 GLY C C 13 172.436 0.300 . 1 . . . . 203 GLY C . 26597 1 957 . 1 1 203 203 GLY CA C 13 44.392 0.300 . 1 . . . . 203 GLY CA . 26597 1 958 . 1 1 203 203 GLY N N 15 115.262 0.300 . 1 . . . . 203 GLY N . 26597 1 959 . 1 1 204 204 ILE H H 1 8.947 0.020 . 1 . . . . 204 ILE H . 26597 1 960 . 1 1 204 204 ILE C C 13 173.800 0.300 . 1 . . . . 204 ILE C . 26597 1 961 . 1 1 204 204 ILE CA C 13 59.737 0.300 . 1 . . . . 204 ILE CA . 26597 1 962 . 1 1 204 204 ILE CB C 13 38.091 0.300 . 1 . . . . 204 ILE CB . 26597 1 963 . 1 1 204 204 ILE N N 15 126.063 0.300 . 1 . . . . 204 ILE N . 26597 1 964 . 1 1 205 205 LEU H H 1 9.142 0.020 . 1 . . . . 205 LEU H . 26597 1 965 . 1 1 205 205 LEU C C 13 174.062 0.300 . 1 . . . . 205 LEU C . 26597 1 966 . 1 1 205 205 LEU CA C 13 53.334 0.300 . 1 . . . . 205 LEU CA . 26597 1 967 . 1 1 205 205 LEU CB C 13 43.815 0.300 . 1 . . . . 205 LEU CB . 26597 1 968 . 1 1 205 205 LEU N N 15 132.367 0.300 . 1 . . . . 205 LEU N . 26597 1 969 . 1 1 206 206 LEU H H 1 9.052 0.020 . 1 . . . . 206 LEU H . 26597 1 970 . 1 1 206 206 LEU C C 13 174.135 0.300 . 1 . . . . 206 LEU C . 26597 1 971 . 1 1 206 206 LEU CA C 13 52.855 0.300 . 1 . . . . 206 LEU CA . 26597 1 972 . 1 1 206 206 LEU CB C 13 43.904 0.300 . 1 . . . . 206 LEU CB . 26597 1 973 . 1 1 206 206 LEU N N 15 130.380 0.300 . 1 . . . . 206 LEU N . 26597 1 974 . 1 1 207 207 ARG H H 1 9.142 0.020 . 1 . . . . 207 ARG H . 26597 1 975 . 1 1 207 207 ARG C C 13 173.577 0.300 . 1 . . . . 207 ARG C . 26597 1 976 . 1 1 207 207 ARG CA C 13 54.231 0.300 . 1 . . . . 207 ARG CA . 26597 1 977 . 1 1 207 207 ARG CB C 13 32.432 0.300 . 1 . . . . 207 ARG CB . 26597 1 978 . 1 1 207 207 ARG N N 15 126.020 0.300 . 1 . . . . 207 ARG N . 26597 1 979 . 1 1 208 208 ASP H H 1 9.384 0.020 . 1 . . . . 208 ASP H . 26597 1 980 . 1 1 208 208 ASP C C 13 177.327 0.300 . 1 . . . . 208 ASP C . 26597 1 981 . 1 1 208 208 ASP CA C 13 51.501 0.300 . 1 . . . . 208 ASP CA . 26597 1 982 . 1 1 208 208 ASP CB C 13 42.515 0.300 . 1 . . . . 208 ASP CB . 26597 1 983 . 1 1 208 208 ASP N N 15 125.192 0.300 . 1 . . . . 208 ASP N . 26597 1 984 . 1 1 209 209 GLU H H 1 9.380 0.020 . 1 . . . . 209 GLU H . 26597 1 985 . 1 1 209 209 GLU C C 13 178.003 0.300 . 1 . . . . 209 GLU C . 26597 1 986 . 1 1 209 209 GLU CA C 13 57.592 0.300 . 1 . . . . 209 GLU CA . 26597 1 987 . 1 1 209 209 GLU CB C 13 29.258 0.300 . 1 . . . . 209 GLU CB . 26597 1 988 . 1 1 209 209 GLU N N 15 124.233 0.300 . 1 . . . . 209 GLU N . 26597 1 989 . 1 1 210 210 ARG H H 1 8.695 0.020 . 1 . . . . 210 ARG H . 26597 1 990 . 1 1 210 210 ARG C C 13 178.356 0.300 . 1 . . . . 210 ARG C . 26597 1 991 . 1 1 210 210 ARG CA C 13 57.712 0.300 . 1 . . . . 210 ARG CA . 26597 1 992 . 1 1 210 210 ARG CB C 13 28.046 0.300 . 1 . . . . 210 ARG CB . 26597 1 993 . 1 1 210 210 ARG N N 15 117.076 0.300 . 1 . . . . 210 ARG N . 26597 1 994 . 1 1 211 211 THR H H 1 6.636 0.020 . 1 . . . . 211 THR H . 26597 1 995 . 1 1 211 211 THR C C 13 176.148 0.300 . 1 . . . . 211 THR C . 26597 1 996 . 1 1 211 211 THR CA C 13 59.990 0.300 . 1 . . . . 211 THR CA . 26597 1 997 . 1 1 211 211 THR CB C 13 70.417 0.300 . 1 . . . . 211 THR CB . 26597 1 998 . 1 1 211 211 THR N N 15 102.660 0.300 . 1 . . . . 211 THR N . 26597 1 999 . 1 1 212 212 GLY H H 1 8.346 0.020 . 1 . . . . 212 GLY H . 26597 1 1000 . 1 1 212 212 GLY C C 13 173.507 0.300 . 1 . . . . 212 GLY C . 26597 1 1001 . 1 1 212 212 GLY CA C 13 45.140 0.300 . 1 . . . . 212 GLY CA . 26597 1 1002 . 1 1 212 212 GLY N N 15 112.681 0.300 . 1 . . . . 212 GLY N . 26597 1 1003 . 1 1 213 213 LYS H H 1 7.474 0.020 . 1 . . . . 213 LYS H . 26597 1 1004 . 1 1 213 213 LYS C C 13 174.703 0.300 . 1 . . . . 213 LYS C . 26597 1 1005 . 1 1 213 213 LYS CA C 13 56.129 0.300 . 1 . . . . 213 LYS CA . 26597 1 1006 . 1 1 213 213 LYS CB C 13 32.989 0.300 . 1 . . . . 213 LYS CB . 26597 1 1007 . 1 1 213 213 LYS N N 15 122.764 0.300 . 1 . . . . 213 LYS N . 26597 1 1008 . 1 1 214 214 GLU H H 1 8.128 0.020 . 1 . . . . 214 GLU H . 26597 1 1009 . 1 1 214 214 GLU C C 13 175.053 0.300 . 1 . . . . 214 GLU C . 26597 1 1010 . 1 1 214 214 GLU CA C 13 54.473 0.300 . 1 . . . . 214 GLU CA . 26597 1 1011 . 1 1 214 214 GLU CB C 13 32.793 0.300 . 1 . . . . 214 GLU CB . 26597 1 1012 . 1 1 214 214 GLU N N 15 121.644 0.300 . 1 . . . . 214 GLU N . 26597 1 1013 . 1 1 215 215 GLU H H 1 9.293 0.020 . 1 . . . . 215 GLU H . 26597 1 1014 . 1 1 215 215 GLU C C 13 172.200 0.300 . 1 . . . . 215 GLU C . 26597 1 1015 . 1 1 215 215 GLU CA C 13 56.173 0.300 . 1 . . . . 215 GLU CA . 26597 1 1016 . 1 1 215 215 GLU CB C 13 33.042 0.300 . 1 . . . . 215 GLU CB . 26597 1 1017 . 1 1 215 215 GLU N N 15 125.658 0.300 . 1 . . . . 215 GLU N . 26597 1 1018 . 1 1 216 216 LEU H H 1 8.322 0.020 . 1 . . . . 216 LEU H . 26597 1 1019 . 1 1 216 216 LEU C C 13 175.481 0.300 . 1 . . . . 216 LEU C . 26597 1 1020 . 1 1 216 216 LEU CA C 13 53.247 0.300 . 1 . . . . 216 LEU CA . 26597 1 1021 . 1 1 216 216 LEU CB C 13 41.963 0.300 . 1 . . . . 216 LEU CB . 26597 1 1022 . 1 1 216 216 LEU N N 15 127.624 0.300 . 1 . . . . 216 LEU N . 26597 1 1023 . 1 1 217 217 PHE H H 1 9.517 0.020 . 1 . . . . 217 PHE H . 26597 1 1024 . 1 1 217 217 PHE C C 13 173.582 0.300 . 1 . . . . 217 PHE C . 26597 1 1025 . 1 1 217 217 PHE CA C 13 56.860 0.300 . 1 . . . . 217 PHE CA . 26597 1 1026 . 1 1 217 217 PHE CB C 13 38.347 0.300 . 1 . . . . 217 PHE CB . 26597 1 1027 . 1 1 217 217 PHE N N 15 130.328 0.300 . 1 . . . . 217 PHE N . 26597 1 1028 . 1 1 218 218 LYS H H 1 8.217 0.020 . 1 . . . . 218 LYS H . 26597 1 1029 . 1 1 218 218 LYS C C 13 173.983 0.300 . 1 . . . . 218 LYS C . 26597 1 1030 . 1 1 218 218 LYS CA C 13 55.600 0.300 . 1 . . . . 218 LYS CA . 26597 1 1031 . 1 1 218 218 LYS CB C 13 34.125 0.300 . 1 . . . . 218 LYS CB . 26597 1 1032 . 1 1 218 218 LYS N N 15 123.922 0.300 . 1 . . . . 218 LYS N . 26597 1 1033 . 1 1 219 219 TYR H H 1 9.433 0.020 . 1 . . . . 219 TYR H . 26597 1 1034 . 1 1 219 219 TYR C C 13 175.199 0.300 . 1 . . . . 219 TYR C . 26597 1 1035 . 1 1 219 219 TYR CA C 13 56.944 0.300 . 1 . . . . 219 TYR CA . 26597 1 1036 . 1 1 219 219 TYR CB C 13 38.984 0.300 . 1 . . . . 219 TYR CB . 26597 1 1037 . 1 1 219 219 TYR N N 15 129.745 0.300 . 1 . . . . 219 TYR N . 26597 1 1038 . 1 1 220 220 GLU H H 1 8.333 0.020 . 1 . . . . 220 GLU H . 26597 1 1039 . 1 1 220 220 GLU C C 13 176.154 0.300 . 1 . . . . 220 GLU C . 26597 1 1040 . 1 1 220 220 GLU CA C 13 55.167 0.300 . 1 . . . . 220 GLU CA . 26597 1 1041 . 1 1 220 220 GLU CB C 13 29.756 0.300 . 1 . . . . 220 GLU CB . 26597 1 1042 . 1 1 220 220 GLU N N 15 126.195 0.300 . 1 . . . . 220 GLU N . 26597 1 1043 . 1 1 221 221 GLY H H 1 6.954 0.020 . 1 . . . . 221 GLY H . 26597 1 1044 . 1 1 221 221 GLY C C 13 174.278 0.300 . 1 . . . . 221 GLY C . 26597 1 1045 . 1 1 221 221 GLY CA C 13 45.007 0.300 . 1 . . . . 221 GLY CA . 26597 1 1046 . 1 1 221 221 GLY N N 15 108.680 0.300 . 1 . . . . 221 GLY N . 26597 1 1047 . 1 1 222 222 GLY H H 1 8.218 0.020 . 1 . . . . 222 GLY H . 26597 1 1048 . 1 1 222 222 GLY C C 13 174.300 0.300 . 1 . . . . 222 GLY C . 26597 1 1049 . 1 1 222 222 GLY CA C 13 44.761 0.300 . 1 . . . . 222 GLY CA . 26597 1 1050 . 1 1 222 222 GLY N N 15 108.819 0.300 . 1 . . . . 222 GLY N . 26597 1 1051 . 1 1 223 223 LEU H H 1 8.037 0.020 . 1 . . . . 223 LEU H . 26597 1 1052 . 1 1 223 223 LEU C C 13 177.512 0.300 . 1 . . . . 223 LEU C . 26597 1 1053 . 1 1 223 223 LEU CA C 13 54.762 0.300 . 1 . . . . 223 LEU CA . 26597 1 1054 . 1 1 223 223 LEU CB C 13 41.347 0.300 . 1 . . . . 223 LEU CB . 26597 1 1055 . 1 1 223 223 LEU N N 15 121.883 0.300 . 1 . . . . 223 LEU N . 26597 1 1056 . 1 1 224 224 GLU H H 1 8.442 0.020 . 1 . . . . 224 GLU H . 26597 1 1057 . 1 1 224 224 GLU C C 13 176.261 0.300 . 1 . . . . 224 GLU C . 26597 1 1058 . 1 1 224 224 GLU CA C 13 56.334 0.300 . 1 . . . . 224 GLU CA . 26597 1 1059 . 1 1 224 224 GLU CB C 13 29.002 0.300 . 1 . . . . 224 GLU CB . 26597 1 1060 . 1 1 224 224 GLU N N 15 121.471 0.300 . 1 . . . . 224 GLU N . 26597 1 1061 . 1 1 226 226 HIS H H 1 7.923 0.020 . 1 . . . . 226 HIS H . 26597 1 1062 . 1 1 226 226 HIS C C 13 179.307 0.300 . 1 . . . . 226 HIS C . 26597 1 1063 . 1 1 226 226 HIS CA C 13 57.003 0.300 . 1 . . . . 226 HIS CA . 26597 1 1064 . 1 1 226 226 HIS CB C 13 29.872 0.300 . 1 . . . . 226 HIS CB . 26597 1 1065 . 1 1 226 226 HIS N N 15 125.981 0.300 . 1 . . . . 226 HIS N . 26597 1 stop_ save_