data_26611 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26611 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the active domains of the type II topoisomerases from Streptococcus pneumoniae with a bis-pyridylurea inhibitor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-07-13 _Entry.Accession_date 2015-07-13 _Entry.Last_release_date 2015-12-18 _Entry.Original_release_date 2015-12-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _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.Entry_ID 1 Yan Li . . . 26611 2 'Hui Qi' Ng . . . 26611 3 'Michelle Yueqi' Lee . . . 26611 4 Qiwei Huang . . . 26611 5 'Ying Lei' Wong . . . 26611 6 CongBao Kang . . . 26611 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26611 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 648 26611 '15N chemical shifts' 223 26611 '1H chemical shifts' 223 26611 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 . . 2015-12-18 . original BMRB . 26611 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26608 'active domains of the type II topoisomerases (free form)' 26611 BMRB 26609 'active domains of the type II topoisomerases (with a bis-pyridylurea inhibitor)' 26611 BMRB 26610 'active domains of the type II topoisomerases (step free form)' 26611 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26611 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26536273 _Citation.Full_citation . _Citation.Title ; Biophysical Studies of Bacterial Topoisomerases Substantiate Their Binding Modes to an Inhibitor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full . _Citation.Journal_volume 109 _Citation.Journal_issue 9 _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 1969 _Citation.Page_last 1977 _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.Entry_ID _Citation_author.Citation_ID 1 CongBao Kang . . . 26611 1 2 Yan Li . . . 26611 1 3 Joseph Cherian . . . 26611 1 4 Boping Liu . . . 26611 1 5 'Hui Qi' Ng . . . 26611 1 6 'Michelle Yueqi' Lee . . . 26611 1 7 'Zhi Ying' Poh . . . 26611 1 8 'Yun Xuan' Wong . . . 26611 1 9 Qiwei Huang . . . 26611 1 10 'Ying Lei' Wong . . . 26611 1 11 Alvin Hung . . . 26611 1 12 Jeffrey Hill . . . 26611 1 13 'Thomas H' Keller . . . 26611 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 26611 1 antibacterial 26611 1 'drug discovery' 26611 1 'drug resistance' 26611 1 'structure-based drug design' 26611 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26611 _Assembly.ID 1 _Assembly.Name 'active domains of the type II topoisomerases' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _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 'active domains of the type II topoisomerases' 1 $Streptococcus_pneumoniae_active_domains_of_the_type_II_topoisomerases A . yes native no no . . . 26611 1 2 'bis-pyridylurea inhibitor' 2 $entity_1YM A . no native no no . . . 26611 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Streptococcus_pneumoniae_active_domains_of_the_type_II_topoisomerases _Entity.Sf_category entity _Entity.Sf_framecode Streptococcus_pneumoniae_active_domains_of_the_type_II_topoisomerases _Entity.Entry_ID 26611 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Streptococcus_pneumoniae_active_domains_of_the_type_II_topoisomerases _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 ; MSKKEININNYNDDAIQVLE GLDAVRKRPGMYIGSTDGAG LHHLVWEIVDNAVDEALSGF GDRIDVTINKDGSLTVQDHG RGMPTGMHAMGIPTVEVIFT ILHAGGKFGQGGYKTSGGLH GVGSSVVNALSSWLEVEITR DGAVYKQRFENGGKPVTTLK KIGTALKSKTGTKVTFMPDA TIFSTTDFKYNTISERLNES AFLLKNVTLSLTDKRTDEAI EFHYENGLEHHHHHH ; _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 235 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 . 26611 1 2 2 SER . 26611 1 3 3 LYS . 26611 1 4 4 LYS . 26611 1 5 5 GLU . 26611 1 6 6 ILE . 26611 1 7 7 ASN . 26611 1 8 8 ILE . 26611 1 9 9 ASN . 26611 1 10 10 ASN . 26611 1 11 11 TYR . 26611 1 12 12 ASN . 26611 1 13 13 ASP . 26611 1 14 14 ASP . 26611 1 15 15 ALA . 26611 1 16 16 ILE . 26611 1 17 17 GLN . 26611 1 18 18 VAL . 26611 1 19 19 LEU . 26611 1 20 20 GLU . 26611 1 21 21 GLY . 26611 1 22 22 LEU . 26611 1 23 23 ASP . 26611 1 24 24 ALA . 26611 1 25 25 VAL . 26611 1 26 26 ARG . 26611 1 27 27 LYS . 26611 1 28 28 ARG . 26611 1 29 29 PRO . 26611 1 30 30 GLY . 26611 1 31 31 MET . 26611 1 32 32 TYR . 26611 1 33 33 ILE . 26611 1 34 34 GLY . 26611 1 35 35 SER . 26611 1 36 36 THR . 26611 1 37 37 ASP . 26611 1 38 38 GLY . 26611 1 39 39 ALA . 26611 1 40 40 GLY . 26611 1 41 41 LEU . 26611 1 42 42 HIS . 26611 1 43 43 HIS . 26611 1 44 44 LEU . 26611 1 45 45 VAL . 26611 1 46 46 TRP . 26611 1 47 47 GLU . 26611 1 48 48 ILE . 26611 1 49 49 VAL . 26611 1 50 50 ASP . 26611 1 51 51 ASN . 26611 1 52 52 ALA . 26611 1 53 53 VAL . 26611 1 54 54 ASP . 26611 1 55 55 GLU . 26611 1 56 56 ALA . 26611 1 57 57 LEU . 26611 1 58 58 SER . 26611 1 59 59 GLY . 26611 1 60 60 PHE . 26611 1 61 61 GLY . 26611 1 62 62 ASP . 26611 1 63 63 ARG . 26611 1 64 64 ILE . 26611 1 65 65 ASP . 26611 1 66 66 VAL . 26611 1 67 67 THR . 26611 1 68 68 ILE . 26611 1 69 69 ASN . 26611 1 70 70 LYS . 26611 1 71 71 ASP . 26611 1 72 72 GLY . 26611 1 73 73 SER . 26611 1 74 74 LEU . 26611 1 75 75 THR . 26611 1 76 76 VAL . 26611 1 77 77 GLN . 26611 1 78 78 ASP . 26611 1 79 79 HIS . 26611 1 80 80 GLY . 26611 1 81 81 ARG . 26611 1 82 82 GLY . 26611 1 83 83 MET . 26611 1 84 84 PRO . 26611 1 85 85 THR . 26611 1 86 86 GLY . 26611 1 87 87 MET . 26611 1 88 88 HIS . 26611 1 89 89 ALA . 26611 1 90 90 MET . 26611 1 91 91 GLY . 26611 1 92 92 ILE . 26611 1 93 93 PRO . 26611 1 94 94 THR . 26611 1 95 95 VAL . 26611 1 96 96 GLU . 26611 1 97 97 VAL . 26611 1 98 98 ILE . 26611 1 99 99 PHE . 26611 1 100 100 THR . 26611 1 101 101 ILE . 26611 1 102 102 LEU . 26611 1 103 103 HIS . 26611 1 104 104 ALA . 26611 1 105 105 GLY . 26611 1 106 106 GLY . 26611 1 107 107 LYS . 26611 1 108 108 PHE . 26611 1 109 109 GLY . 26611 1 110 110 GLN . 26611 1 111 111 GLY . 26611 1 112 112 GLY . 26611 1 113 113 TYR . 26611 1 114 114 LYS . 26611 1 115 115 THR . 26611 1 116 116 SER . 26611 1 117 117 GLY . 26611 1 118 118 GLY . 26611 1 119 119 LEU . 26611 1 120 120 HIS . 26611 1 121 121 GLY . 26611 1 122 122 VAL . 26611 1 123 123 GLY . 26611 1 124 124 SER . 26611 1 125 125 SER . 26611 1 126 126 VAL . 26611 1 127 127 VAL . 26611 1 128 128 ASN . 26611 1 129 129 ALA . 26611 1 130 130 LEU . 26611 1 131 131 SER . 26611 1 132 132 SER . 26611 1 133 133 TRP . 26611 1 134 134 LEU . 26611 1 135 135 GLU . 26611 1 136 136 VAL . 26611 1 137 137 GLU . 26611 1 138 138 ILE . 26611 1 139 139 THR . 26611 1 140 140 ARG . 26611 1 141 141 ASP . 26611 1 142 142 GLY . 26611 1 143 143 ALA . 26611 1 144 144 VAL . 26611 1 145 145 TYR . 26611 1 146 146 LYS . 26611 1 147 147 GLN . 26611 1 148 148 ARG . 26611 1 149 149 PHE . 26611 1 150 150 GLU . 26611 1 151 151 ASN . 26611 1 152 152 GLY . 26611 1 153 153 GLY . 26611 1 154 154 LYS . 26611 1 155 155 PRO . 26611 1 156 156 VAL . 26611 1 157 157 THR . 26611 1 158 158 THR . 26611 1 159 159 LEU . 26611 1 160 160 LYS . 26611 1 161 161 LYS . 26611 1 162 162 ILE . 26611 1 163 163 GLY . 26611 1 164 164 THR . 26611 1 165 165 ALA . 26611 1 166 166 LEU . 26611 1 167 167 LYS . 26611 1 168 168 SER . 26611 1 169 169 LYS . 26611 1 170 170 THR . 26611 1 171 171 GLY . 26611 1 172 172 THR . 26611 1 173 173 LYS . 26611 1 174 174 VAL . 26611 1 175 175 THR . 26611 1 176 176 PHE . 26611 1 177 177 MET . 26611 1 178 178 PRO . 26611 1 179 179 ASP . 26611 1 180 180 ALA . 26611 1 181 181 THR . 26611 1 182 182 ILE . 26611 1 183 183 PHE . 26611 1 184 184 SER . 26611 1 185 185 THR . 26611 1 186 186 THR . 26611 1 187 187 ASP . 26611 1 188 188 PHE . 26611 1 189 189 LYS . 26611 1 190 190 TYR . 26611 1 191 191 ASN . 26611 1 192 192 THR . 26611 1 193 193 ILE . 26611 1 194 194 SER . 26611 1 195 195 GLU . 26611 1 196 196 ARG . 26611 1 197 197 LEU . 26611 1 198 198 ASN . 26611 1 199 199 GLU . 26611 1 200 200 SER . 26611 1 201 201 ALA . 26611 1 202 202 PHE . 26611 1 203 203 LEU . 26611 1 204 204 LEU . 26611 1 205 205 LYS . 26611 1 206 206 ASN . 26611 1 207 207 VAL . 26611 1 208 208 THR . 26611 1 209 209 LEU . 26611 1 210 210 SER . 26611 1 211 211 LEU . 26611 1 212 212 THR . 26611 1 213 213 ASP . 26611 1 214 214 LYS . 26611 1 215 215 ARG . 26611 1 216 216 THR . 26611 1 217 217 ASP . 26611 1 218 218 GLU . 26611 1 219 219 ALA . 26611 1 220 220 ILE . 26611 1 221 221 GLU . 26611 1 222 222 PHE . 26611 1 223 223 HIS . 26611 1 224 224 TYR . 26611 1 225 225 GLU . 26611 1 226 226 ASN . 26611 1 227 227 GLY . 26611 1 228 228 LEU . 26611 1 229 229 GLU . 26611 1 230 230 HIS . 26611 1 231 231 HIS . 26611 1 232 232 HIS . 26611 1 233 233 HIS . 26611 1 234 234 HIS . 26611 1 235 235 HIS . 26611 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 26611 1 . SER 2 2 26611 1 . LYS 3 3 26611 1 . LYS 4 4 26611 1 . GLU 5 5 26611 1 . ILE 6 6 26611 1 . ASN 7 7 26611 1 . ILE 8 8 26611 1 . ASN 9 9 26611 1 . ASN 10 10 26611 1 . TYR 11 11 26611 1 . ASN 12 12 26611 1 . ASP 13 13 26611 1 . ASP 14 14 26611 1 . ALA 15 15 26611 1 . ILE 16 16 26611 1 . GLN 17 17 26611 1 . VAL 18 18 26611 1 . LEU 19 19 26611 1 . GLU 20 20 26611 1 . GLY 21 21 26611 1 . LEU 22 22 26611 1 . ASP 23 23 26611 1 . ALA 24 24 26611 1 . VAL 25 25 26611 1 . ARG 26 26 26611 1 . LYS 27 27 26611 1 . ARG 28 28 26611 1 . PRO 29 29 26611 1 . GLY 30 30 26611 1 . MET 31 31 26611 1 . TYR 32 32 26611 1 . ILE 33 33 26611 1 . GLY 34 34 26611 1 . SER 35 35 26611 1 . THR 36 36 26611 1 . ASP 37 37 26611 1 . GLY 38 38 26611 1 . ALA 39 39 26611 1 . GLY 40 40 26611 1 . LEU 41 41 26611 1 . HIS 42 42 26611 1 . HIS 43 43 26611 1 . LEU 44 44 26611 1 . VAL 45 45 26611 1 . TRP 46 46 26611 1 . GLU 47 47 26611 1 . ILE 48 48 26611 1 . VAL 49 49 26611 1 . ASP 50 50 26611 1 . ASN 51 51 26611 1 . ALA 52 52 26611 1 . VAL 53 53 26611 1 . ASP 54 54 26611 1 . GLU 55 55 26611 1 . ALA 56 56 26611 1 . LEU 57 57 26611 1 . SER 58 58 26611 1 . GLY 59 59 26611 1 . PHE 60 60 26611 1 . GLY 61 61 26611 1 . ASP 62 62 26611 1 . ARG 63 63 26611 1 . ILE 64 64 26611 1 . ASP 65 65 26611 1 . VAL 66 66 26611 1 . THR 67 67 26611 1 . ILE 68 68 26611 1 . ASN 69 69 26611 1 . LYS 70 70 26611 1 . ASP 71 71 26611 1 . GLY 72 72 26611 1 . SER 73 73 26611 1 . LEU 74 74 26611 1 . THR 75 75 26611 1 . VAL 76 76 26611 1 . GLN 77 77 26611 1 . ASP 78 78 26611 1 . HIS 79 79 26611 1 . GLY 80 80 26611 1 . ARG 81 81 26611 1 . GLY 82 82 26611 1 . MET 83 83 26611 1 . PRO 84 84 26611 1 . THR 85 85 26611 1 . GLY 86 86 26611 1 . MET 87 87 26611 1 . HIS 88 88 26611 1 . ALA 89 89 26611 1 . MET 90 90 26611 1 . GLY 91 91 26611 1 . ILE 92 92 26611 1 . PRO 93 93 26611 1 . THR 94 94 26611 1 . VAL 95 95 26611 1 . GLU 96 96 26611 1 . VAL 97 97 26611 1 . ILE 98 98 26611 1 . PHE 99 99 26611 1 . THR 100 100 26611 1 . ILE 101 101 26611 1 . LEU 102 102 26611 1 . HIS 103 103 26611 1 . ALA 104 104 26611 1 . GLY 105 105 26611 1 . GLY 106 106 26611 1 . LYS 107 107 26611 1 . PHE 108 108 26611 1 . GLY 109 109 26611 1 . GLN 110 110 26611 1 . GLY 111 111 26611 1 . GLY 112 112 26611 1 . TYR 113 113 26611 1 . LYS 114 114 26611 1 . THR 115 115 26611 1 . SER 116 116 26611 1 . GLY 117 117 26611 1 . GLY 118 118 26611 1 . LEU 119 119 26611 1 . HIS 120 120 26611 1 . GLY 121 121 26611 1 . VAL 122 122 26611 1 . GLY 123 123 26611 1 . SER 124 124 26611 1 . SER 125 125 26611 1 . VAL 126 126 26611 1 . VAL 127 127 26611 1 . ASN 128 128 26611 1 . ALA 129 129 26611 1 . LEU 130 130 26611 1 . SER 131 131 26611 1 . SER 132 132 26611 1 . TRP 133 133 26611 1 . LEU 134 134 26611 1 . GLU 135 135 26611 1 . VAL 136 136 26611 1 . GLU 137 137 26611 1 . ILE 138 138 26611 1 . THR 139 139 26611 1 . ARG 140 140 26611 1 . ASP 141 141 26611 1 . GLY 142 142 26611 1 . ALA 143 143 26611 1 . VAL 144 144 26611 1 . TYR 145 145 26611 1 . LYS 146 146 26611 1 . GLN 147 147 26611 1 . ARG 148 148 26611 1 . PHE 149 149 26611 1 . GLU 150 150 26611 1 . ASN 151 151 26611 1 . GLY 152 152 26611 1 . GLY 153 153 26611 1 . LYS 154 154 26611 1 . PRO 155 155 26611 1 . VAL 156 156 26611 1 . THR 157 157 26611 1 . THR 158 158 26611 1 . LEU 159 159 26611 1 . LYS 160 160 26611 1 . LYS 161 161 26611 1 . ILE 162 162 26611 1 . GLY 163 163 26611 1 . THR 164 164 26611 1 . ALA 165 165 26611 1 . LEU 166 166 26611 1 . LYS 167 167 26611 1 . SER 168 168 26611 1 . LYS 169 169 26611 1 . THR 170 170 26611 1 . GLY 171 171 26611 1 . THR 172 172 26611 1 . LYS 173 173 26611 1 . VAL 174 174 26611 1 . THR 175 175 26611 1 . PHE 176 176 26611 1 . MET 177 177 26611 1 . PRO 178 178 26611 1 . ASP 179 179 26611 1 . ALA 180 180 26611 1 . THR 181 181 26611 1 . ILE 182 182 26611 1 . PHE 183 183 26611 1 . SER 184 184 26611 1 . THR 185 185 26611 1 . THR 186 186 26611 1 . ASP 187 187 26611 1 . PHE 188 188 26611 1 . LYS 189 189 26611 1 . TYR 190 190 26611 1 . ASN 191 191 26611 1 . THR 192 192 26611 1 . ILE 193 193 26611 1 . SER 194 194 26611 1 . GLU 195 195 26611 1 . ARG 196 196 26611 1 . LEU 197 197 26611 1 . ASN 198 198 26611 1 . GLU 199 199 26611 1 . SER 200 200 26611 1 . ALA 201 201 26611 1 . PHE 202 202 26611 1 . LEU 203 203 26611 1 . LEU 204 204 26611 1 . LYS 205 205 26611 1 . ASN 206 206 26611 1 . VAL 207 207 26611 1 . THR 208 208 26611 1 . LEU 209 209 26611 1 . SER 210 210 26611 1 . LEU 211 211 26611 1 . THR 212 212 26611 1 . ASP 213 213 26611 1 . LYS 214 214 26611 1 . ARG 215 215 26611 1 . THR 216 216 26611 1 . ASP 217 217 26611 1 . GLU 218 218 26611 1 . ALA 219 219 26611 1 . ILE 220 220 26611 1 . GLU 221 221 26611 1 . PHE 222 222 26611 1 . HIS 223 223 26611 1 . TYR 224 224 26611 1 . GLU 225 225 26611 1 . ASN 226 226 26611 1 . GLY 227 227 26611 1 . LEU 228 228 26611 1 . GLU 229 229 26611 1 . HIS 230 230 26611 1 . HIS 231 231 26611 1 . HIS 232 232 26611 1 . HIS 233 233 26611 1 . HIS 234 234 26611 1 . HIS 235 235 26611 1 stop_ save_ save_entity_1YM _Entity.Sf_category entity _Entity.Sf_framecode entity_1YM _Entity.Entry_ID 26611 _Entity.ID 2 _Entity.BMRB_code 1YM _Entity.Name "6'-[(ethylcarbamoyl)amino]-4'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridine-5-carboxylic acid" _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID 1YM _Entity.Nonpolymer_comp_label $chem_comp_1YM _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 437.396 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID "6'-[(ethylcarbamoyl)amino]-4'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridine-5-carboxylic acid" BMRB 26611 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID "6'-[(ethylcarbamoyl)amino]-4'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridine-5-carboxylic acid" BMRB 26611 2 1YM 'Three letter code' 26611 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 1YM $chem_comp_1YM 26611 2 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 26611 _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 $Streptococcus_pneumoniae_active_domains_of_the_type_II_topoisomerases . 1313 organism . 'Streptococcus pneumoniae' firmicutes . . Bacteria . Streptococcus pneumoniae . . . . . . . . . . . . . 26611 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 26611 _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 $Streptococcus_pneumoniae_active_domains_of_the_type_II_topoisomerases . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET29b . . . 26611 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_1YM _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_1YM _Chem_comp.Entry_ID 26611 _Chem_comp.ID 1YM _Chem_comp.Provenance PDB _Chem_comp.Name "6'-[(ethylcarbamoyl)amino]-4'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridine-5-carboxylic acid" _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code 1YM _Chem_comp.PDB_code 1YM _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2013-11-08 _Chem_comp.Modified_date 2013-11-08 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code 1YM _Chem_comp.Number_atoms_all 44 _Chem_comp.Number_atoms_nh 30 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C18H14F3N5O3S/c1-2-23-17(29)26-14-4-11(15-25-13(8-30-15)18(19,20)21)12(7-24-14)9-3-10(16(27)28)6-22-5-9/h3-8H,2H2,1H3,(H,27,28)(H2,23,24,26,29) ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C18 H14 F3 N5 O3 S' _Chem_comp.Formula_weight 437.396 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 4LP0 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CCNC(=O)Nc1cc(c(cn1)c2cc(cnc2)C(=O)O)c3nc(cs3)C(F)(F)F SMILES 'OpenEye OEToolkits' 1.7.6 26611 1YM CCNC(=O)Nc1cc(c(cn1)c2cc(cnc2)C(=O)O)c3nc(cs3)C(F)(F)F SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 26611 1YM CCNC(=O)Nc1cc(c2scc(n2)C(F)(F)F)c(cn1)c3cncc(c3)C(O)=O SMILES CACTVS 3.385 26611 1YM CCNC(=O)Nc1cc(c2scc(n2)C(F)(F)F)c(cn1)c3cncc(c3)C(O)=O SMILES_CANONICAL CACTVS 3.385 26611 1YM GLNFAHNABSNEAM-UHFFFAOYSA-N InChIKey InChI 1.03 26611 1YM ; InChI=1S/C18H14F3N5O3S/c1-2-23-17(29)26-14-4-11(15-25-13(8-30-15)18(19,20)21)12(7-24-14)9-3-10(16(27)28)6-22-5-9/h3-8H,2H2,1H3,(H,27,28)(H2,23,24,26,29) ; InChI InChI 1.03 26611 1YM O=C(O)c3cc(c1cnc(NC(=O)NCC)cc1c2nc(cs2)C(F)(F)F)cnc3 SMILES ACDLabs 12.01 26611 1YM stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-3-yl]pyridine-3-carboxylic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 26611 1YM "6'-[(ethylcarbamoyl)amino]-4'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridine-5-carboxylic acid" 'SYSTEMATIC NAME' ACDLabs 12.01 26611 1YM stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 C1 C1 C1 . C . . N 0 . . . 1 no no . . . . 19.370 . 33.803 . 1.598 . 8.771 -0.415 -0.344 1 . 26611 1YM C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 19.051 . 32.347 . 1.960 . 7.524 0.414 -0.028 2 . 26611 1YM O5 O5 O5 O5 . O . . N 0 . . . 1 no no . . . . 17.963 . 30.525 . 3.746 . 4.998 1.264 0.382 3 . 26611 1YM N6 N6 N6 N6 . N . . N 0 . . . 1 no no . . . . 16.022 . 31.679 . 3.959 . 4.011 -0.669 -0.089 4 . 26611 1YM C7 C7 C7 C7 . C . . N 0 . . . 1 yes no . . . . 15.340 . 30.907 . 4.879 . 2.744 -0.105 0.048 5 . 26611 1YM C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . 15.768 . 29.645 . 5.299 . 1.620 -0.892 -0.160 6 . 26611 1YM C9 C9 C9 C9 . C . . N 0 . . . 1 yes no . . . . 14.959 . 28.983 . 6.247 . 0.355 -0.318 -0.020 7 . 26611 1YM C10 C10 C10 C10 . C . . N 0 . . . 1 yes no . . . . 13.782 . 29.609 . 6.753 . 0.279 1.047 0.330 8 . 26611 1YM C11 C11 C11 C11 . C . . N 0 . . . 1 yes no . . . . 13.449 . 30.870 . 6.268 . 1.459 1.759 0.519 9 . 26611 1YM C13 C13 C13 C13 . C . . N 0 . . . 1 yes no . . . . 12.840 . 28.994 . 7.716 . -1.036 1.711 0.492 10 . 26611 1YM C14 C14 C14 C14 . C . . N 0 . . . 1 yes no . . . . 12.413 . 27.672 . 7.508 . -1.266 2.970 -0.065 11 . 26611 1YM C15 C15 C15 C15 . C . . N 0 . . . 1 yes no . . . . 11.485 . 27.133 . 8.419 . -2.525 3.553 0.118 12 . 26611 1YM C16 C16 C16 C16 . C . . N 0 . . . 1 yes no . . . . 11.017 . 27.942 . 9.463 . -3.493 2.857 0.845 13 . 26611 1YM C19 C19 C19 C19 . C . . N 0 . . . 1 no no . . . . 10.989 . 25.734 . 8.310 . -2.825 4.884 -0.448 14 . 26611 1YM C22 C22 C22 C22 . C . . N 0 . . . 1 yes no . . . . 15.410 . 27.678 . 6.714 . -0.869 -1.117 -0.232 15 . 26611 1YM N23 N23 N23 N23 . N . . N 0 . . . 1 yes no . . . . 15.215 . 27.090 . 7.888 . -0.998 -2.386 0.030 16 . 26611 1YM C24 C24 C24 C24 . C . . N 0 . . . 1 yes no . . . . 15.749 . 25.918 . 8.115 . -2.164 -2.932 -0.223 17 . 26611 1YM C27 C27 C27 C27 . C . . N 0 . . . 1 no no . . . . 15.477 . 25.223 . 9.423 . -2.437 -4.391 0.037 18 . 26611 1YM N3 N3 N3 N3 . N . . N 0 . . . 1 no no . . . . 17.718 . 32.405 . 2.570 . 6.331 -0.422 -0.179 19 . 26611 1YM C4 C4 C4 C4 . C . . N 0 . . . 1 no no . . . . 17.264 . 31.479 . 3.450 . 5.109 0.100 0.050 20 . 26611 1YM N12 N12 N12 N12 . N . . N 0 . . . 1 yes no . . . . 14.238 . 31.454 . 5.384 . 2.631 1.173 0.380 21 . 26611 1YM N17 N17 N17 N17 . N . . N 0 . . . 1 yes no . . . . 11.414 . 29.193 . 9.610 . -3.233 1.670 1.354 22 . 26611 1YM C18 C18 C18 C18 . C . . N 0 . . . 1 yes no . . . . 12.287 . 29.731 . 8.777 . -2.063 1.085 1.199 23 . 26611 1YM O20 O20 O20 O20 . O . . N 0 . . . 1 no no . . . . 11.192 . 25.024 . 7.336 . -1.975 5.481 -1.079 24 . 26611 1YM O21 O21 O21 O21 . O . . N 0 . . . 1 no no . . . . 10.272 . 25.218 . 9.322 . -4.040 5.435 -0.266 25 . 26611 1YM C25 C25 C25 C25 . C . . N 0 . . . 1 yes no . . . . 16.537 . 25.322 . 7.171 . -3.095 -2.113 -0.726 26 . 26611 1YM S26 S26 S26 S26 . S . . N 0 . . . 1 yes no . . . . 16.495 . 26.553 . 5.860 . -2.392 -0.504 -0.872 27 . 26611 1YM F28 F28 F28 F28 . F . . N 0 . . . 1 no no . . . . 15.606 . 26.065 . 10.536 . -3.559 -4.515 0.865 28 . 26611 1YM F29 F29 F29 F29 . F . . N 0 . . . 1 no no . . . . 14.168 . 24.757 . 9.401 . -2.679 -5.044 -1.176 29 . 26611 1YM F30 F30 F30 F30 . F . . N 0 . . . 1 no no . . . . 16.332 . 24.121 . 9.492 . -1.329 -4.969 0.665 30 . 26611 1YM H1 H1 H1 H1 . H . . N 0 . . . 1 no no . . . . 20.364 . 33.856 . 1.129 . 8.712 -0.783 -1.369 31 . 26611 1YM H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . 18.613 . 34.180 . 0.895 . 9.659 0.206 -0.232 32 . 26611 1YM H3 H3 H3 H3 . H . . N 0 . . . 1 no no . . . . 19.362 . 34.418 . 2.510 . 8.829 -1.260 0.342 33 . 26611 1YM H4 H4 H4 H4 . H . . N 0 . . . 1 no no . . . . 19.039 . 31.716 . 1.059 . 7.583 0.781 0.997 34 . 26611 1YM H5 H5 H5 H5 . H . . N 0 . . . 1 no no . . . . 19.789 . 31.953 . 2.674 . 7.466 1.258 -0.714 35 . 26611 1YM H6 H6 H6 H6 . H . . N 0 . . . 1 no no . . . . 15.539 . 32.489 . 3.625 . 4.103 -1.615 -0.285 36 . 26611 1YM H7 H7 H7 H7 . H . . N 0 . . . 1 no no . . . . 16.674 . 29.198 . 4.917 . 1.722 -1.934 -0.427 37 . 26611 1YM H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . 12.554 . 31.367 . 6.611 . 1.414 2.804 0.786 38 . 26611 1YM H9 H9 H9 H9 . H . . N 0 . . . 1 no no . . . . 12.784 . 27.089 . 6.678 . -0.494 3.481 -0.621 39 . 26611 1YM H10 H10 H10 H10 . H . . N 0 . . . 1 no no . . . . 10.311 . 27.530 . 10.169 . -4.468 3.298 0.992 40 . 26611 1YM H11 H11 H11 H11 . H . . N 0 . . . 1 no no . . . . 17.115 . 33.164 . 2.325 . 6.419 -1.351 -0.444 41 . 26611 1YM H12 H12 H12 H12 . H . . N 0 . . . 1 no no . . . . 12.582 . 30.761 . 8.915 . -1.895 0.108 1.629 42 . 26611 1YM H13 H13 H13 H13 . H . . N 0 . . . 1 no no . . . . 10.019 . 24.327 . 9.110 . -4.189 6.307 -0.656 43 . 26611 1YM H14 H14 H14 H14 . H . . N 0 . . . 1 no no . . . . 17.047 . 24.370 . 7.203 . -4.105 -2.390 -0.992 44 . 26611 1YM stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C1 C2 no N 1 . 26611 1YM 2 . SING C2 N3 no N 2 . 26611 1YM 3 . SING N3 C4 no N 3 . 26611 1YM 4 . DOUB C4 O5 no N 4 . 26611 1YM 5 . SING C4 N6 no N 5 . 26611 1YM 6 . SING N6 C7 no N 6 . 26611 1YM 7 . DOUB C7 C8 yes N 7 . 26611 1YM 8 . SING C7 N12 yes N 8 . 26611 1YM 9 . SING C8 C9 yes N 9 . 26611 1YM 10 . DOUB N12 C11 yes N 10 . 26611 1YM 11 . SING S26 C22 yes N 11 . 26611 1YM 12 . SING S26 C25 yes N 12 . 26611 1YM 13 . SING C9 C22 no N 13 . 26611 1YM 14 . DOUB C9 C10 yes N 14 . 26611 1YM 15 . SING C11 C10 yes N 15 . 26611 1YM 16 . DOUB C22 N23 yes N 16 . 26611 1YM 17 . SING C10 C13 no N 17 . 26611 1YM 18 . DOUB C25 C24 yes N 18 . 26611 1YM 19 . DOUB O20 C19 no N 19 . 26611 1YM 20 . DOUB C14 C13 yes N 20 . 26611 1YM 21 . SING C14 C15 yes N 21 . 26611 1YM 22 . SING C13 C18 yes N 22 . 26611 1YM 23 . SING N23 C24 yes N 23 . 26611 1YM 24 . SING C24 C27 no N 24 . 26611 1YM 25 . SING C19 C15 no N 25 . 26611 1YM 26 . SING C19 O21 no N 26 . 26611 1YM 27 . DOUB C15 C16 yes N 27 . 26611 1YM 28 . DOUB C18 N17 yes N 28 . 26611 1YM 29 . SING F29 C27 no N 29 . 26611 1YM 30 . SING C27 F30 no N 30 . 26611 1YM 31 . SING C27 F28 no N 31 . 26611 1YM 32 . SING C16 N17 yes N 32 . 26611 1YM 33 . SING C1 H1 no N 33 . 26611 1YM 34 . SING C1 H2 no N 34 . 26611 1YM 35 . SING C1 H3 no N 35 . 26611 1YM 36 . SING C2 H4 no N 36 . 26611 1YM 37 . SING C2 H5 no N 37 . 26611 1YM 38 . SING N6 H6 no N 38 . 26611 1YM 39 . SING C8 H7 no N 39 . 26611 1YM 40 . SING C11 H8 no N 40 . 26611 1YM 41 . SING C14 H9 no N 41 . 26611 1YM 42 . SING C16 H10 no N 42 . 26611 1YM 43 . SING N3 H11 no N 43 . 26611 1YM 44 . SING C18 H12 no N 44 . 26611 1YM 45 . SING O21 H13 no N 45 . 26611 1YM 46 . SING C25 H14 no N 46 . 26611 1YM stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26611 _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 'Streptococcus pneumoniae active domains of the type II topoisomerases' '[U-13C; U-15N; U-2H]' . . 1 $Streptococcus_pneumoniae_active_domains_of_the_type_II_topoisomerases . . 0.8 . . mM . . . . 26611 1 2 'a bis-pyridylurea inhibitor' 'natural abundance' . . 2 $entity_1YM . . 1.0 . . mM . . . . 26611 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 26611 1 4 'potassium chloride' 'natural abundance' . . . . . . 80 . . mM . . . . 26611 1 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 26611 1 6 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 26611 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26611 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26611 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 26611 _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 . M 26611 1 pH 6.5 . pH 26611 1 pressure 1 . atm 26611 1 temperature 298 . K 26611 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 26611 _Software.ID 1 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26611 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26611 1 'Johnson, One Moon Scientific' . . 26611 1 'Keller and Wuthrich' . . 26611 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26611 1 processing 26611 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 26611 _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 26611 _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 . . . 26611 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 26611 _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 . . . . . . . . . . . . . . . . 26611 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26611 1 3 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26611 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26611 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26611 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26611 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26611 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26611 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 26611 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 26611 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 26611 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 26611 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 26611 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26611 1 2 '3D HNCACB' . . . 26611 1 4 '3D HNCA' . . . 26611 1 7 '3D HNCO' . . . 26611 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 4 4 LYS H H 1 8.408 0.020 . 1 . . . . 4 LYS H . 26611 1 2 . 1 1 4 4 LYS C C 13 176.315 0.300 . 1 . . . . 4 LYS C . 26611 1 3 . 1 1 4 4 LYS CA C 13 55.840 0.300 . 1 . . . . 4 LYS CA . 26611 1 4 . 1 1 4 4 LYS CB C 13 31.982 0.300 . 1 . . . . 4 LYS CB . 26611 1 5 . 1 1 4 4 LYS N N 15 123.338 0.300 . 1 . . . . 4 LYS N . 26611 1 6 . 1 1 5 5 GLU H H 1 8.402 0.020 . 1 . . . . 5 GLU H . 26611 1 7 . 1 1 5 5 GLU C C 13 176.162 0.300 . 1 . . . . 5 GLU C . 26611 1 8 . 1 1 5 5 GLU CA C 13 55.822 0.300 . 1 . . . . 5 GLU CA . 26611 1 9 . 1 1 5 5 GLU CB C 13 29.111 0.300 . 1 . . . . 5 GLU CB . 26611 1 10 . 1 1 5 5 GLU N N 15 122.736 0.300 . 1 . . . . 5 GLU N . 26611 1 11 . 1 1 6 6 ILE H H 1 8.167 0.020 . 1 . . . . 6 ILE H . 26611 1 12 . 1 1 6 6 ILE C C 13 175.628 0.300 . 1 . . . . 6 ILE C . 26611 1 13 . 1 1 6 6 ILE CA C 13 60.532 0.300 . 1 . . . . 6 ILE CA . 26611 1 14 . 1 1 6 6 ILE CB C 13 37.895 0.300 . 1 . . . . 6 ILE CB . 26611 1 15 . 1 1 6 6 ILE N N 15 121.722 0.300 . 1 . . . . 6 ILE N . 26611 1 16 . 1 1 7 7 ASN H H 1 8.503 0.020 . 1 . . . . 7 ASN H . 26611 1 17 . 1 1 7 7 ASN C C 13 175.001 0.300 . 1 . . . . 7 ASN C . 26611 1 18 . 1 1 7 7 ASN CA C 13 52.593 0.300 . 1 . . . . 7 ASN CA . 26611 1 19 . 1 1 7 7 ASN CB C 13 38.268 0.300 . 1 . . . . 7 ASN CB . 26611 1 20 . 1 1 7 7 ASN N N 15 123.005 0.300 . 1 . . . . 7 ASN N . 26611 1 21 . 1 1 8 8 ILE H H 1 8.145 0.020 . 1 . . . . 8 ILE H . 26611 1 22 . 1 1 8 8 ILE C C 13 175.831 0.300 . 1 . . . . 8 ILE C . 26611 1 23 . 1 1 8 8 ILE CA C 13 60.967 0.300 . 1 . . . . 8 ILE CA . 26611 1 24 . 1 1 8 8 ILE CB C 13 37.911 0.300 . 1 . . . . 8 ILE CB . 26611 1 25 . 1 1 8 8 ILE N N 15 121.142 0.300 . 1 . . . . 8 ILE N . 26611 1 26 . 1 1 9 9 ASN H H 1 8.402 0.020 . 1 . . . . 9 ASN H . 26611 1 27 . 1 1 9 9 ASN C C 13 174.608 0.300 . 1 . . . . 9 ASN C . 26611 1 28 . 1 1 9 9 ASN CA C 13 52.949 0.300 . 1 . . . . 9 ASN CA . 26611 1 29 . 1 1 9 9 ASN CB C 13 38.186 0.300 . 1 . . . . 9 ASN CB . 26611 1 30 . 1 1 9 9 ASN N N 15 121.253 0.300 . 1 . . . . 9 ASN N . 26611 1 31 . 1 1 10 10 ASN H H 1 8.203 0.020 . 1 . . . . 10 ASN H . 26611 1 32 . 1 1 10 10 ASN C C 13 174.728 0.300 . 1 . . . . 10 ASN C . 26611 1 33 . 1 1 10 10 ASN CA C 13 52.734 0.300 . 1 . . . . 10 ASN CA . 26611 1 34 . 1 1 10 10 ASN CB C 13 38.264 0.300 . 1 . . . . 10 ASN CB . 26611 1 35 . 1 1 10 10 ASN N N 15 118.897 0.300 . 1 . . . . 10 ASN N . 26611 1 36 . 1 1 11 11 TYR H H 1 8.072 0.020 . 1 . . . . 11 TYR H . 26611 1 37 . 1 1 11 11 TYR C C 13 175.409 0.300 . 1 . . . . 11 TYR C . 26611 1 38 . 1 1 11 11 TYR CA C 13 57.728 0.300 . 1 . . . . 11 TYR CA . 26611 1 39 . 1 1 11 11 TYR CB C 13 37.781 0.300 . 1 . . . . 11 TYR CB . 26611 1 40 . 1 1 11 11 TYR N N 15 120.432 0.300 . 1 . . . . 11 TYR N . 26611 1 41 . 1 1 12 12 ASN H H 1 8.217 0.020 . 1 . . . . 12 ASN H . 26611 1 42 . 1 1 12 12 ASN C C 13 174.696 0.300 . 1 . . . . 12 ASN C . 26611 1 43 . 1 1 12 12 ASN CA C 13 52.735 0.300 . 1 . . . . 12 ASN CA . 26611 1 44 . 1 1 12 12 ASN CB C 13 38.463 0.300 . 1 . . . . 12 ASN CB . 26611 1 45 . 1 1 12 12 ASN N N 15 120.153 0.300 . 1 . . . . 12 ASN N . 26611 1 46 . 1 1 13 13 ASP H H 1 8.165 0.020 . 1 . . . . 13 ASP H . 26611 1 47 . 1 1 13 13 ASP C C 13 176.143 0.300 . 1 . . . . 13 ASP C . 26611 1 48 . 1 1 13 13 ASP CA C 13 54.328 0.300 . 1 . . . . 13 ASP CA . 26611 1 49 . 1 1 13 13 ASP CB C 13 40.465 0.300 . 1 . . . . 13 ASP CB . 26611 1 50 . 1 1 13 13 ASP N N 15 121.016 0.300 . 1 . . . . 13 ASP N . 26611 1 51 . 1 1 14 14 ASP H H 1 8.207 0.020 . 1 . . . . 14 ASP H . 26611 1 52 . 1 1 14 14 ASP C C 13 176.225 0.300 . 1 . . . . 14 ASP C . 26611 1 53 . 1 1 14 14 ASP CA C 13 54.334 0.300 . 1 . . . . 14 ASP CA . 26611 1 54 . 1 1 14 14 ASP CB C 13 40.366 0.300 . 1 . . . . 14 ASP CB . 26611 1 55 . 1 1 14 14 ASP N N 15 120.344 0.300 . 1 . . . . 14 ASP N . 26611 1 56 . 1 1 15 15 ALA H H 1 8.046 0.020 . 1 . . . . 15 ALA H . 26611 1 57 . 1 1 15 15 ALA C C 13 177.909 0.300 . 1 . . . . 15 ALA C . 26611 1 58 . 1 1 15 15 ALA CA C 13 52.309 0.300 . 1 . . . . 15 ALA CA . 26611 1 59 . 1 1 15 15 ALA CB C 13 18.189 0.300 . 1 . . . . 15 ALA CB . 26611 1 60 . 1 1 15 15 ALA N N 15 123.008 0.300 . 1 . . . . 15 ALA N . 26611 1 61 . 1 1 16 16 ILE H H 1 7.910 0.020 . 1 . . . . 16 ILE H . 26611 1 62 . 1 1 16 16 ILE C C 13 176.271 0.300 . 1 . . . . 16 ILE C . 26611 1 63 . 1 1 16 16 ILE CA C 13 60.969 0.300 . 1 . . . . 16 ILE CA . 26611 1 64 . 1 1 16 16 ILE CB C 13 37.369 0.300 . 1 . . . . 16 ILE CB . 26611 1 65 . 1 1 16 16 ILE N N 15 119.143 0.300 . 1 . . . . 16 ILE N . 26611 1 66 . 1 1 17 17 GLN H H 1 8.266 0.020 . 1 . . . . 17 GLN H . 26611 1 67 . 1 1 17 17 GLN C C 13 175.837 0.300 . 1 . . . . 17 GLN C . 26611 1 68 . 1 1 17 17 GLN CA C 13 55.327 0.300 . 1 . . . . 17 GLN CA . 26611 1 69 . 1 1 17 17 GLN CB C 13 28.399 0.300 . 1 . . . . 17 GLN CB . 26611 1 70 . 1 1 17 17 GLN N N 15 123.742 0.300 . 1 . . . . 17 GLN N . 26611 1 71 . 1 1 18 18 VAL H H 1 8.147 0.020 . 1 . . . . 18 VAL H . 26611 1 72 . 1 1 18 18 VAL C C 13 176.178 0.300 . 1 . . . . 18 VAL C . 26611 1 73 . 1 1 18 18 VAL CA C 13 62.240 0.300 . 1 . . . . 18 VAL CA . 26611 1 74 . 1 1 18 18 VAL CB C 13 31.438 0.300 . 1 . . . . 18 VAL CB . 26611 1 75 . 1 1 18 18 VAL N N 15 121.813 0.300 . 1 . . . . 18 VAL N . 26611 1 76 . 1 1 19 19 LEU H H 1 8.256 0.020 . 1 . . . . 19 LEU H . 26611 1 77 . 1 1 19 19 LEU C C 13 177.005 0.300 . 1 . . . . 19 LEU C . 26611 1 78 . 1 1 19 19 LEU CA C 13 54.841 0.300 . 1 . . . . 19 LEU CA . 26611 1 79 . 1 1 19 19 LEU CB C 13 41.178 0.300 . 1 . . . . 19 LEU CB . 26611 1 80 . 1 1 19 19 LEU N N 15 125.668 0.300 . 1 . . . . 19 LEU N . 26611 1 81 . 1 1 20 20 GLU H H 1 8.423 0.020 . 1 . . . . 20 GLU H . 26611 1 82 . 1 1 20 20 GLU C C 13 176.477 0.300 . 1 . . . . 20 GLU C . 26611 1 83 . 1 1 20 20 GLU CA C 13 55.946 0.300 . 1 . . . . 20 GLU CA . 26611 1 84 . 1 1 20 20 GLU CB C 13 30.307 0.300 . 1 . . . . 20 GLU CB . 26611 1 85 . 1 1 20 20 GLU N N 15 121.212 0.300 . 1 . . . . 20 GLU N . 26611 1 86 . 1 1 21 21 GLY H H 1 8.276 0.020 . 1 . . . . 21 GLY H . 26611 1 87 . 1 1 21 21 GLY C C 13 174.915 0.300 . 1 . . . . 21 GLY C . 26611 1 88 . 1 1 21 21 GLY CA C 13 44.870 0.300 . 1 . . . . 21 GLY CA . 26611 1 89 . 1 1 21 21 GLY N N 15 108.987 0.300 . 1 . . . . 21 GLY N . 26611 1 90 . 1 1 22 22 LEU H H 1 8.457 0.020 . 1 . . . . 22 LEU H . 26611 1 91 . 1 1 22 22 LEU C C 13 178.900 0.300 . 1 . . . . 22 LEU C . 26611 1 92 . 1 1 22 22 LEU CA C 13 56.760 0.300 . 1 . . . . 22 LEU CA . 26611 1 93 . 1 1 22 22 LEU CB C 13 38.984 0.300 . 1 . . . . 22 LEU CB . 26611 1 94 . 1 1 22 22 LEU N N 15 120.317 0.300 . 1 . . . . 22 LEU N . 26611 1 95 . 1 1 23 23 ASP H H 1 8.284 0.020 . 1 . . . . 23 ASP H . 26611 1 96 . 1 1 23 23 ASP C C 13 178.104 0.300 . 1 . . . . 23 ASP C . 26611 1 97 . 1 1 23 23 ASP CA C 13 56.801 0.300 . 1 . . . . 23 ASP CA . 26611 1 98 . 1 1 23 23 ASP CB C 13 39.571 0.300 . 1 . . . . 23 ASP CB . 26611 1 99 . 1 1 23 23 ASP N N 15 117.351 0.300 . 1 . . . . 23 ASP N . 26611 1 100 . 1 1 24 24 ALA H H 1 7.703 0.020 . 1 . . . . 24 ALA H . 26611 1 101 . 1 1 24 24 ALA C C 13 179.947 0.300 . 1 . . . . 24 ALA C . 26611 1 102 . 1 1 24 24 ALA CA C 13 54.821 0.300 . 1 . . . . 24 ALA CA . 26611 1 103 . 1 1 24 24 ALA CB C 13 17.551 0.300 . 1 . . . . 24 ALA CB . 26611 1 104 . 1 1 24 24 ALA N N 15 121.304 0.300 . 1 . . . . 24 ALA N . 26611 1 105 . 1 1 25 25 VAL H H 1 6.930 0.020 . 1 . . . . 25 VAL H . 26611 1 106 . 1 1 25 25 VAL C C 13 176.594 0.300 . 1 . . . . 25 VAL C . 26611 1 107 . 1 1 25 25 VAL CA C 13 63.407 0.300 . 1 . . . . 25 VAL CA . 26611 1 108 . 1 1 25 25 VAL CB C 13 29.615 0.300 . 1 . . . . 25 VAL CB . 26611 1 109 . 1 1 25 25 VAL N N 15 116.855 0.300 . 1 . . . . 25 VAL N . 26611 1 110 . 1 1 26 26 ARG H H 1 6.788 0.020 . 1 . . . . 26 ARG H . 26611 1 111 . 1 1 26 26 ARG C C 13 177.806 0.300 . 1 . . . . 26 ARG C . 26611 1 112 . 1 1 26 26 ARG CA C 13 58.637 0.300 . 1 . . . . 26 ARG CA . 26611 1 113 . 1 1 26 26 ARG CB C 13 29.349 0.300 . 1 . . . . 26 ARG CB . 26611 1 114 . 1 1 26 26 ARG N N 15 113.504 0.300 . 1 . . . . 26 ARG N . 26611 1 115 . 1 1 27 27 LYS H H 1 7.611 0.020 . 1 . . . . 27 LYS H . 26611 1 116 . 1 1 27 27 LYS C C 13 177.648 0.300 . 1 . . . . 27 LYS C . 26611 1 117 . 1 1 27 27 LYS CA C 13 57.508 0.300 . 1 . . . . 27 LYS CA . 26611 1 118 . 1 1 27 27 LYS CB C 13 32.217 0.300 . 1 . . . . 27 LYS CB . 26611 1 119 . 1 1 27 27 LYS N N 15 116.151 0.300 . 1 . . . . 27 LYS N . 26611 1 120 . 1 1 28 28 ARG H H 1 7.142 0.020 . 1 . . . . 28 ARG H . 26611 1 121 . 1 1 28 28 ARG C C 13 172.766 0.300 . 1 . . . . 28 ARG C . 26611 1 122 . 1 1 28 28 ARG CA C 13 53.034 0.300 . 1 . . . . 28 ARG CA . 26611 1 123 . 1 1 28 28 ARG CB C 13 29.842 0.300 . 1 . . . . 28 ARG CB . 26611 1 124 . 1 1 28 28 ARG N N 15 116.303 0.300 . 1 . . . . 28 ARG N . 26611 1 125 . 1 1 29 29 PRO C C 13 180.050 0.300 . 1 . . . . 29 PRO C . 26611 1 126 . 1 1 29 29 PRO CA C 13 65.429 0.300 . 1 . . . . 29 PRO CA . 26611 1 127 . 1 1 29 29 PRO CB C 13 30.155 0.300 . 1 . . . . 29 PRO CB . 26611 1 128 . 1 1 30 30 GLY H H 1 8.873 0.020 . 1 . . . . 30 GLY H . 26611 1 129 . 1 1 30 30 GLY C C 13 175.531 0.300 . 1 . . . . 30 GLY C . 26611 1 130 . 1 1 30 30 GLY CA C 13 45.579 0.300 . 1 . . . . 30 GLY CA . 26611 1 131 . 1 1 30 30 GLY N N 15 105.649 0.300 . 1 . . . . 30 GLY N . 26611 1 132 . 1 1 31 31 MET H H 1 7.528 0.020 . 1 . . . . 31 MET H . 26611 1 133 . 1 1 31 31 MET C C 13 175.415 0.300 . 1 . . . . 31 MET C . 26611 1 134 . 1 1 31 31 MET CA C 13 56.665 0.300 . 1 . . . . 31 MET CA . 26611 1 135 . 1 1 31 31 MET CB C 13 28.217 0.300 . 1 . . . . 31 MET CB . 26611 1 136 . 1 1 31 31 MET N N 15 118.310 0.300 . 1 . . . . 31 MET N . 26611 1 137 . 1 1 32 32 TYR H H 1 7.653 0.020 . 1 . . . . 32 TYR H . 26611 1 138 . 1 1 32 32 TYR C C 13 176.456 0.300 . 1 . . . . 32 TYR C . 26611 1 139 . 1 1 32 32 TYR CA C 13 59.615 0.300 . 1 . . . . 32 TYR CA . 26611 1 140 . 1 1 32 32 TYR CB C 13 39.859 0.300 . 1 . . . . 32 TYR CB . 26611 1 141 . 1 1 32 32 TYR N N 15 115.626 0.300 . 1 . . . . 32 TYR N . 26611 1 142 . 1 1 33 33 ILE H H 1 7.879 0.020 . 1 . . . . 33 ILE H . 26611 1 143 . 1 1 33 33 ILE C C 13 175.910 0.300 . 1 . . . . 33 ILE C . 26611 1 144 . 1 1 33 33 ILE CA C 13 59.580 0.300 . 1 . . . . 33 ILE CA . 26611 1 145 . 1 1 33 33 ILE CB C 13 39.349 0.300 . 1 . . . . 33 ILE CB . 26611 1 146 . 1 1 33 33 ILE N N 15 108.835 0.300 . 1 . . . . 33 ILE N . 26611 1 147 . 1 1 34 34 GLY H H 1 7.373 0.020 . 1 . . . . 34 GLY H . 26611 1 148 . 1 1 34 34 GLY C C 13 174.099 0.300 . 1 . . . . 34 GLY C . 26611 1 149 . 1 1 34 34 GLY CA C 13 47.003 0.300 . 1 . . . . 34 GLY CA . 26611 1 150 . 1 1 34 34 GLY N N 15 112.405 0.300 . 1 . . . . 34 GLY N . 26611 1 151 . 1 1 35 35 SER H H 1 7.553 0.020 . 1 . . . . 35 SER H . 26611 1 152 . 1 1 35 35 SER C C 13 172.451 0.300 . 1 . . . . 35 SER C . 26611 1 153 . 1 1 35 35 SER CA C 13 57.119 0.300 . 1 . . . . 35 SER CA . 26611 1 154 . 1 1 35 35 SER CB C 13 62.857 0.300 . 1 . . . . 35 SER CB . 26611 1 155 . 1 1 35 35 SER N N 15 112.784 0.300 . 1 . . . . 35 SER N . 26611 1 156 . 1 1 36 36 THR H H 1 8.388 0.020 . 1 . . . . 36 THR H . 26611 1 157 . 1 1 36 36 THR C C 13 172.992 0.300 . 1 . . . . 36 THR C . 26611 1 158 . 1 1 36 36 THR CA C 13 59.978 0.300 . 1 . . . . 36 THR CA . 26611 1 159 . 1 1 36 36 THR CB C 13 66.599 0.300 . 1 . . . . 36 THR CB . 26611 1 160 . 1 1 36 36 THR N N 15 106.549 0.300 . 1 . . . . 36 THR N . 26611 1 161 . 1 1 37 37 ASP H H 1 7.565 0.020 . 1 . . . . 37 ASP H . 26611 1 162 . 1 1 37 37 ASP C C 13 176.219 0.300 . 1 . . . . 37 ASP C . 26611 1 163 . 1 1 37 37 ASP CA C 13 51.386 0.300 . 1 . . . . 37 ASP CA . 26611 1 164 . 1 1 37 37 ASP CB C 13 40.310 0.300 . 1 . . . . 37 ASP CB . 26611 1 165 . 1 1 37 37 ASP N N 15 121.286 0.300 . 1 . . . . 37 ASP N . 26611 1 166 . 1 1 38 38 GLY H H 1 8.763 0.020 . 1 . . . . 38 GLY H . 26611 1 167 . 1 1 38 38 GLY C C 13 176.578 0.300 . 1 . . . . 38 GLY C . 26611 1 168 . 1 1 38 38 GLY CA C 13 47.021 0.300 . 1 . . . . 38 GLY CA . 26611 1 169 . 1 1 38 38 GLY N N 15 105.798 0.300 . 1 . . . . 38 GLY N . 26611 1 170 . 1 1 39 39 ALA H H 1 7.984 0.020 . 1 . . . . 39 ALA H . 26611 1 171 . 1 1 39 39 ALA C C 13 180.633 0.300 . 1 . . . . 39 ALA C . 26611 1 172 . 1 1 39 39 ALA CA C 13 55.159 0.300 . 1 . . . . 39 ALA CA . 26611 1 173 . 1 1 39 39 ALA CB C 13 17.064 0.300 . 1 . . . . 39 ALA CB . 26611 1 174 . 1 1 39 39 ALA N N 15 125.493 0.300 . 1 . . . . 39 ALA N . 26611 1 175 . 1 1 40 40 GLY H H 1 7.240 0.020 . 1 . . . . 40 GLY H . 26611 1 176 . 1 1 40 40 GLY C C 13 175.222 0.300 . 1 . . . . 40 GLY C . 26611 1 177 . 1 1 40 40 GLY CA C 13 47.206 0.300 . 1 . . . . 40 GLY CA . 26611 1 178 . 1 1 40 40 GLY N N 15 108.726 0.300 . 1 . . . . 40 GLY N . 26611 1 179 . 1 1 41 41 LEU H H 1 8.180 0.020 . 1 . . . . 41 LEU H . 26611 1 180 . 1 1 41 41 LEU C C 13 178.684 0.300 . 1 . . . . 41 LEU C . 26611 1 181 . 1 1 41 41 LEU CA C 13 57.153 0.300 . 1 . . . . 41 LEU CA . 26611 1 182 . 1 1 41 41 LEU CB C 13 40.411 0.300 . 1 . . . . 41 LEU CB . 26611 1 183 . 1 1 41 41 LEU N N 15 120.509 0.300 . 1 . . . . 41 LEU N . 26611 1 184 . 1 1 42 42 HIS H H 1 7.436 0.020 . 1 . . . . 42 HIS H . 26611 1 185 . 1 1 42 42 HIS C C 13 175.693 0.300 . 1 . . . . 42 HIS C . 26611 1 186 . 1 1 42 42 HIS CA C 13 61.934 0.300 . 1 . . . . 42 HIS CA . 26611 1 187 . 1 1 42 42 HIS CB C 13 26.223 0.300 . 1 . . . . 42 HIS CB . 26611 1 188 . 1 1 42 42 HIS N N 15 111.397 0.300 . 1 . . . . 42 HIS N . 26611 1 189 . 1 1 43 43 HIS H H 1 7.814 0.020 . 1 . . . . 43 HIS H . 26611 1 190 . 1 1 43 43 HIS C C 13 177.704 0.300 . 1 . . . . 43 HIS C . 26611 1 191 . 1 1 43 43 HIS CA C 13 59.158 0.300 . 1 . . . . 43 HIS CA . 26611 1 192 . 1 1 43 43 HIS CB C 13 28.588 0.300 . 1 . . . . 43 HIS CB . 26611 1 193 . 1 1 43 43 HIS N N 15 120.007 0.300 . 1 . . . . 43 HIS N . 26611 1 194 . 1 1 44 44 LEU H H 1 7.259 0.020 . 1 . . . . 44 LEU H . 26611 1 195 . 1 1 44 44 LEU C C 13 177.950 0.300 . 1 . . . . 44 LEU C . 26611 1 196 . 1 1 44 44 LEU CA C 13 57.605 0.300 . 1 . . . . 44 LEU CA . 26611 1 197 . 1 1 44 44 LEU CB C 13 40.426 0.300 . 1 . . . . 44 LEU CB . 26611 1 198 . 1 1 44 44 LEU N N 15 114.603 0.300 . 1 . . . . 44 LEU N . 26611 1 199 . 1 1 45 45 VAL H H 1 6.445 0.020 . 1 . . . . 45 VAL H . 26611 1 200 . 1 1 45 45 VAL C C 13 178.141 0.300 . 1 . . . . 45 VAL C . 26611 1 201 . 1 1 45 45 VAL CA C 13 65.377 0.300 . 1 . . . . 45 VAL CA . 26611 1 202 . 1 1 45 45 VAL CB C 13 29.005 0.300 . 1 . . . . 45 VAL CB . 26611 1 203 . 1 1 45 45 VAL N N 15 113.853 0.300 . 1 . . . . 45 VAL N . 26611 1 204 . 1 1 46 46 TRP H H 1 7.689 0.020 . 1 . . . . 46 TRP H . 26611 1 205 . 1 1 46 46 TRP C C 13 178.358 0.300 . 1 . . . . 46 TRP C . 26611 1 206 . 1 1 46 46 TRP CA C 13 57.562 0.300 . 1 . . . . 46 TRP CA . 26611 1 207 . 1 1 46 46 TRP CB C 13 28.948 0.300 . 1 . . . . 46 TRP CB . 26611 1 208 . 1 1 46 46 TRP N N 15 118.420 0.300 . 1 . . . . 46 TRP N . 26611 1 209 . 1 1 47 47 GLU H H 1 7.730 0.020 . 1 . . . . 47 GLU H . 26611 1 210 . 1 1 47 47 GLU C C 13 178.189 0.300 . 1 . . . . 47 GLU C . 26611 1 211 . 1 1 47 47 GLU CA C 13 58.394 0.300 . 1 . . . . 47 GLU CA . 26611 1 212 . 1 1 47 47 GLU CB C 13 28.505 0.300 . 1 . . . . 47 GLU CB . 26611 1 213 . 1 1 47 47 GLU N N 15 114.507 0.300 . 1 . . . . 47 GLU N . 26611 1 214 . 1 1 48 48 ILE H H 1 6.991 0.020 . 1 . . . . 48 ILE H . 26611 1 215 . 1 1 48 48 ILE C C 13 180.503 0.300 . 1 . . . . 48 ILE C . 26611 1 216 . 1 1 48 48 ILE CA C 13 60.945 0.300 . 1 . . . . 48 ILE CA . 26611 1 217 . 1 1 48 48 ILE CB C 13 34.745 0.300 . 1 . . . . 48 ILE CB . 26611 1 218 . 1 1 48 48 ILE N N 15 114.604 0.300 . 1 . . . . 48 ILE N . 26611 1 219 . 1 1 49 49 VAL H H 1 8.955 0.020 . 1 . . . . 49 VAL H . 26611 1 220 . 1 1 49 49 VAL C C 13 177.879 0.300 . 1 . . . . 49 VAL C . 26611 1 221 . 1 1 49 49 VAL CA C 13 67.053 0.300 . 1 . . . . 49 VAL CA . 26611 1 222 . 1 1 49 49 VAL CB C 13 30.579 0.300 . 1 . . . . 49 VAL CB . 26611 1 223 . 1 1 49 49 VAL N N 15 120.288 0.300 . 1 . . . . 49 VAL N . 26611 1 224 . 1 1 50 50 ASP H H 1 9.076 0.020 . 1 . . . . 50 ASP H . 26611 1 225 . 1 1 50 50 ASP C C 13 179.020 0.300 . 1 . . . . 50 ASP C . 26611 1 226 . 1 1 50 50 ASP CA C 13 57.156 0.300 . 1 . . . . 50 ASP CA . 26611 1 227 . 1 1 50 50 ASP CB C 13 38.857 0.300 . 1 . . . . 50 ASP CB . 26611 1 228 . 1 1 50 50 ASP N N 15 119.685 0.300 . 1 . . . . 50 ASP N . 26611 1 229 . 1 1 51 51 ASN H H 1 7.553 0.020 . 1 . . . . 51 ASN H . 26611 1 230 . 1 1 51 51 ASN C C 13 177.643 0.300 . 1 . . . . 51 ASN C . 26611 1 231 . 1 1 51 51 ASN CA C 13 55.862 0.300 . 1 . . . . 51 ASN CA . 26611 1 232 . 1 1 51 51 ASN CB C 13 37.067 0.300 . 1 . . . . 51 ASN CB . 26611 1 233 . 1 1 51 51 ASN N N 15 119.718 0.300 . 1 . . . . 51 ASN N . 26611 1 234 . 1 1 52 52 ALA H H 1 7.636 0.020 . 1 . . . . 52 ALA H . 26611 1 235 . 1 1 52 52 ALA C C 13 180.655 0.300 . 1 . . . . 52 ALA C . 26611 1 236 . 1 1 52 52 ALA CA C 13 54.508 0.300 . 1 . . . . 52 ALA CA . 26611 1 237 . 1 1 52 52 ALA CB C 13 18.517 0.300 . 1 . . . . 52 ALA CB . 26611 1 238 . 1 1 52 52 ALA N N 15 124.074 0.300 . 1 . . . . 52 ALA N . 26611 1 239 . 1 1 53 53 VAL H H 1 9.140 0.020 . 1 . . . . 53 VAL H . 26611 1 240 . 1 1 53 53 VAL C C 13 177.363 0.300 . 1 . . . . 53 VAL C . 26611 1 241 . 1 1 53 53 VAL CA C 13 66.320 0.300 . 1 . . . . 53 VAL CA . 26611 1 242 . 1 1 53 53 VAL CB C 13 30.600 0.300 . 1 . . . . 53 VAL CB . 26611 1 243 . 1 1 53 53 VAL N N 15 122.904 0.300 . 1 . . . . 53 VAL N . 26611 1 244 . 1 1 54 54 ASP H H 1 8.750 0.020 . 1 . . . . 54 ASP H . 26611 1 245 . 1 1 54 54 ASP C C 13 179.278 0.300 . 1 . . . . 54 ASP C . 26611 1 246 . 1 1 54 54 ASP CA C 13 57.486 0.300 . 1 . . . . 54 ASP CA . 26611 1 247 . 1 1 54 54 ASP CB C 13 39.627 0.300 . 1 . . . . 54 ASP CB . 26611 1 248 . 1 1 54 54 ASP N N 15 120.789 0.300 . 1 . . . . 54 ASP N . 26611 1 249 . 1 1 55 55 GLU H H 1 7.140 0.020 . 1 . . . . 55 GLU H . 26611 1 250 . 1 1 55 55 GLU C C 13 178.574 0.300 . 1 . . . . 55 GLU C . 26611 1 251 . 1 1 55 55 GLU CA C 13 58.712 0.300 . 1 . . . . 55 GLU CA . 26611 1 252 . 1 1 55 55 GLU CB C 13 28.502 0.300 . 1 . . . . 55 GLU CB . 26611 1 253 . 1 1 55 55 GLU N N 15 122.379 0.300 . 1 . . . . 55 GLU N . 26611 1 254 . 1 1 56 56 ALA H H 1 7.762 0.020 . 1 . . . . 56 ALA H . 26611 1 255 . 1 1 56 56 ALA C C 13 183.068 0.300 . 1 . . . . 56 ALA C . 26611 1 256 . 1 1 56 56 ALA CA C 13 54.625 0.300 . 1 . . . . 56 ALA CA . 26611 1 257 . 1 1 56 56 ALA CB C 13 16.756 0.300 . 1 . . . . 56 ALA CB . 26611 1 258 . 1 1 56 56 ALA N N 15 123.174 0.300 . 1 . . . . 56 ALA N . 26611 1 259 . 1 1 57 57 LEU H H 1 9.381 0.020 . 1 . . . . 57 LEU H . 26611 1 260 . 1 1 57 57 LEU C C 13 179.448 0.300 . 1 . . . . 57 LEU C . 26611 1 261 . 1 1 57 57 LEU CA C 13 57.169 0.300 . 1 . . . . 57 LEU CA . 26611 1 262 . 1 1 57 57 LEU CB C 13 40.918 0.300 . 1 . . . . 57 LEU CB . 26611 1 263 . 1 1 57 57 LEU N N 15 123.226 0.300 . 1 . . . . 57 LEU N . 26611 1 264 . 1 1 58 58 SER H H 1 7.704 0.020 . 1 . . . . 58 SER H . 26611 1 265 . 1 1 58 58 SER C C 13 172.612 0.300 . 1 . . . . 58 SER C . 26611 1 266 . 1 1 58 58 SER CA C 13 59.485 0.300 . 1 . . . . 58 SER CA . 26611 1 267 . 1 1 58 58 SER CB C 13 63.050 0.300 . 1 . . . . 58 SER CB . 26611 1 268 . 1 1 58 58 SER N N 15 115.207 0.300 . 1 . . . . 58 SER N . 26611 1 269 . 1 1 59 59 GLY H H 1 7.664 0.020 . 1 . . . . 59 GLY H . 26611 1 270 . 1 1 59 59 GLY C C 13 173.457 0.300 . 1 . . . . 59 GLY C . 26611 1 271 . 1 1 59 59 GLY CA C 13 43.776 0.300 . 1 . . . . 59 GLY CA . 26611 1 272 . 1 1 59 59 GLY N N 15 105.691 0.300 . 1 . . . . 59 GLY N . 26611 1 273 . 1 1 60 60 PHE H H 1 7.991 0.020 . 1 . . . . 60 PHE H . 26611 1 274 . 1 1 60 60 PHE C C 13 173.763 0.300 . 1 . . . . 60 PHE C . 26611 1 275 . 1 1 60 60 PHE CA C 13 57.349 0.300 . 1 . . . . 60 PHE CA . 26611 1 276 . 1 1 60 60 PHE CB C 13 39.782 0.300 . 1 . . . . 60 PHE CB . 26611 1 277 . 1 1 60 60 PHE N N 15 121.416 0.300 . 1 . . . . 60 PHE N . 26611 1 278 . 1 1 61 61 GLY H H 1 8.172 0.020 . 1 . . . . 61 GLY H . 26611 1 279 . 1 1 61 61 GLY C C 13 173.684 0.300 . 1 . . . . 61 GLY C . 26611 1 280 . 1 1 61 61 GLY CA C 13 44.837 0.300 . 1 . . . . 61 GLY CA . 26611 1 281 . 1 1 61 61 GLY N N 15 113.605 0.300 . 1 . . . . 61 GLY N . 26611 1 282 . 1 1 62 62 ASP H H 1 8.119 0.020 . 1 . . . . 62 ASP H . 26611 1 283 . 1 1 62 62 ASP C C 13 176.058 0.300 . 1 . . . . 62 ASP C . 26611 1 284 . 1 1 62 62 ASP CA C 13 52.696 0.300 . 1 . . . . 62 ASP CA . 26611 1 285 . 1 1 62 62 ASP CB C 13 40.750 0.300 . 1 . . . . 62 ASP CB . 26611 1 286 . 1 1 62 62 ASP N N 15 117.765 0.300 . 1 . . . . 62 ASP N . 26611 1 287 . 1 1 63 63 ARG H H 1 7.514 0.020 . 1 . . . . 63 ARG H . 26611 1 288 . 1 1 63 63 ARG C C 13 175.499 0.300 . 1 . . . . 63 ARG C . 26611 1 289 . 1 1 63 63 ARG CA C 13 54.810 0.300 . 1 . . . . 63 ARG CA . 26611 1 290 . 1 1 63 63 ARG CB C 13 32.187 0.300 . 1 . . . . 63 ARG CB . 26611 1 291 . 1 1 63 63 ARG N N 15 119.665 0.300 . 1 . . . . 63 ARG N . 26611 1 292 . 1 1 64 64 ILE H H 1 9.205 0.020 . 1 . . . . 64 ILE H . 26611 1 293 . 1 1 64 64 ILE C C 13 173.264 0.300 . 1 . . . . 64 ILE C . 26611 1 294 . 1 1 64 64 ILE CA C 13 60.621 0.300 . 1 . . . . 64 ILE CA . 26611 1 295 . 1 1 64 64 ILE CB C 13 40.145 0.300 . 1 . . . . 64 ILE CB . 26611 1 296 . 1 1 64 64 ILE N N 15 129.357 0.300 . 1 . . . . 64 ILE N . 26611 1 297 . 1 1 65 65 ASP H H 1 8.969 0.020 . 1 . . . . 65 ASP H . 26611 1 298 . 1 1 65 65 ASP C C 13 175.427 0.300 . 1 . . . . 65 ASP C . 26611 1 299 . 1 1 65 65 ASP CA C 13 52.962 0.300 . 1 . . . . 65 ASP CA . 26611 1 300 . 1 1 65 65 ASP CB C 13 43.573 0.300 . 1 . . . . 65 ASP CB . 26611 1 301 . 1 1 65 65 ASP N N 15 125.388 0.300 . 1 . . . . 65 ASP N . 26611 1 302 . 1 1 66 66 VAL H H 1 9.241 0.020 . 1 . . . . 66 VAL H . 26611 1 303 . 1 1 66 66 VAL C C 13 176.020 0.300 . 1 . . . . 66 VAL C . 26611 1 304 . 1 1 66 66 VAL CA C 13 60.657 0.300 . 1 . . . . 66 VAL CA . 26611 1 305 . 1 1 66 66 VAL CB C 13 31.461 0.300 . 1 . . . . 66 VAL CB . 26611 1 306 . 1 1 66 66 VAL N N 15 127.554 0.300 . 1 . . . . 66 VAL N . 26611 1 307 . 1 1 67 67 THR H H 1 9.802 0.020 . 1 . . . . 67 THR H . 26611 1 308 . 1 1 67 67 THR C C 13 172.613 0.300 . 1 . . . . 67 THR C . 26611 1 309 . 1 1 67 67 THR CA C 13 61.184 0.300 . 1 . . . . 67 THR CA . 26611 1 310 . 1 1 67 67 THR CB C 13 71.333 0.300 . 1 . . . . 67 THR CB . 26611 1 311 . 1 1 67 67 THR N N 15 127.247 0.300 . 1 . . . . 67 THR N . 26611 1 312 . 1 1 68 68 ILE H H 1 9.087 0.020 . 1 . . . . 68 ILE H . 26611 1 313 . 1 1 68 68 ILE C C 13 175.008 0.300 . 1 . . . . 68 ILE C . 26611 1 314 . 1 1 68 68 ILE CA C 13 60.942 0.300 . 1 . . . . 68 ILE CA . 26611 1 315 . 1 1 68 68 ILE CB C 13 37.332 0.300 . 1 . . . . 68 ILE CB . 26611 1 316 . 1 1 68 68 ILE N N 15 126.540 0.300 . 1 . . . . 68 ILE N . 26611 1 317 . 1 1 69 69 ASN H H 1 8.832 0.020 . 1 . . . . 69 ASN H . 26611 1 318 . 1 1 69 69 ASN C C 13 176.186 0.300 . 1 . . . . 69 ASN C . 26611 1 319 . 1 1 69 69 ASN CA C 13 53.589 0.300 . 1 . . . . 69 ASN CA . 26611 1 320 . 1 1 69 69 ASN CB C 13 38.450 0.300 . 1 . . . . 69 ASN CB . 26611 1 321 . 1 1 69 69 ASN N N 15 124.294 0.300 . 1 . . . . 69 ASN N . 26611 1 322 . 1 1 70 70 LYS H H 1 8.960 0.020 . 1 . . . . 70 LYS H . 26611 1 323 . 1 1 70 70 LYS C C 13 177.040 0.300 . 1 . . . . 70 LYS C . 26611 1 324 . 1 1 70 70 LYS CA C 13 59.550 0.300 . 1 . . . . 70 LYS CA . 26611 1 325 . 1 1 70 70 LYS CB C 13 31.454 0.300 . 1 . . . . 70 LYS CB . 26611 1 326 . 1 1 70 70 LYS N N 15 119.686 0.300 . 1 . . . . 70 LYS N . 26611 1 327 . 1 1 71 71 ASP H H 1 7.902 0.020 . 1 . . . . 71 ASP H . 26611 1 328 . 1 1 71 71 ASP C C 13 176.100 0.300 . 1 . . . . 71 ASP C . 26611 1 329 . 1 1 71 71 ASP CA C 13 53.067 0.300 . 1 . . . . 71 ASP CA . 26611 1 330 . 1 1 71 71 ASP CB C 13 38.950 0.300 . 1 . . . . 71 ASP CB . 26611 1 331 . 1 1 71 71 ASP N N 15 114.809 0.300 . 1 . . . . 71 ASP N . 26611 1 332 . 1 1 72 72 GLY H H 1 8.032 0.020 . 1 . . . . 72 GLY H . 26611 1 333 . 1 1 72 72 GLY C C 13 174.083 0.300 . 1 . . . . 72 GLY C . 26611 1 334 . 1 1 72 72 GLY CA C 13 44.561 0.300 . 1 . . . . 72 GLY CA . 26611 1 335 . 1 1 72 72 GLY N N 15 107.923 0.300 . 1 . . . . 72 GLY N . 26611 1 336 . 1 1 73 73 SER H H 1 8.104 0.020 . 1 . . . . 73 SER H . 26611 1 337 . 1 1 73 73 SER C C 13 171.341 0.300 . 1 . . . . 73 SER C . 26611 1 338 . 1 1 73 73 SER CA C 13 58.362 0.300 . 1 . . . . 73 SER CA . 26611 1 339 . 1 1 73 73 SER CB C 13 65.083 0.300 . 1 . . . . 73 SER CB . 26611 1 340 . 1 1 73 73 SER N N 15 115.103 0.300 . 1 . . . . 73 SER N . 26611 1 341 . 1 1 74 74 LEU H H 1 7.982 0.020 . 1 . . . . 74 LEU H . 26611 1 342 . 1 1 74 74 LEU C C 13 175.145 0.300 . 1 . . . . 74 LEU C . 26611 1 343 . 1 1 74 74 LEU CA C 13 52.772 0.300 . 1 . . . . 74 LEU CA . 26611 1 344 . 1 1 74 74 LEU CB C 13 43.792 0.300 . 1 . . . . 74 LEU CB . 26611 1 345 . 1 1 74 74 LEU N N 15 121.694 0.300 . 1 . . . . 74 LEU N . 26611 1 346 . 1 1 75 75 THR H H 1 9.335 0.020 . 1 . . . . 75 THR H . 26611 1 347 . 1 1 75 75 THR C C 13 173.730 0.300 . 1 . . . . 75 THR C . 26611 1 348 . 1 1 75 75 THR CA C 13 61.052 0.300 . 1 . . . . 75 THR CA . 26611 1 349 . 1 1 75 75 THR CB C 13 71.802 0.300 . 1 . . . . 75 THR CB . 26611 1 350 . 1 1 75 75 THR N N 15 121.837 0.300 . 1 . . . . 75 THR N . 26611 1 351 . 1 1 76 76 VAL H H 1 9.397 0.020 . 1 . . . . 76 VAL H . 26611 1 352 . 1 1 76 76 VAL C C 13 174.396 0.300 . 1 . . . . 76 VAL C . 26611 1 353 . 1 1 76 76 VAL CA C 13 61.469 0.300 . 1 . . . . 76 VAL CA . 26611 1 354 . 1 1 76 76 VAL CB C 13 33.316 0.300 . 1 . . . . 76 VAL CB . 26611 1 355 . 1 1 76 76 VAL N N 15 125.695 0.300 . 1 . . . . 76 VAL N . 26611 1 356 . 1 1 77 77 GLN H H 1 9.494 0.020 . 1 . . . . 77 GLN H . 26611 1 357 . 1 1 77 77 GLN C C 13 172.701 0.300 . 1 . . . . 77 GLN C . 26611 1 358 . 1 1 77 77 GLN CA C 13 54.014 0.300 . 1 . . . . 77 GLN CA . 26611 1 359 . 1 1 77 77 GLN CB C 13 32.629 0.300 . 1 . . . . 77 GLN CB . 26611 1 360 . 1 1 77 77 GLN N N 15 127.225 0.300 . 1 . . . . 77 GLN N . 26611 1 361 . 1 1 78 78 ASP H H 1 9.424 0.020 . 1 . . . . 78 ASP H . 26611 1 362 . 1 1 78 78 ASP C C 13 173.989 0.300 . 1 . . . . 78 ASP C . 26611 1 363 . 1 1 78 78 ASP CA C 13 50.912 0.300 . 1 . . . . 78 ASP CA . 26611 1 364 . 1 1 78 78 ASP CB C 13 44.073 0.300 . 1 . . . . 78 ASP CB . 26611 1 365 . 1 1 78 78 ASP N N 15 126.145 0.300 . 1 . . . . 78 ASP N . 26611 1 366 . 1 1 79 79 HIS H H 1 9.830 0.020 . 1 . . . . 79 HIS H . 26611 1 367 . 1 1 79 79 HIS C C 13 176.487 0.300 . 1 . . . . 79 HIS C . 26611 1 368 . 1 1 79 79 HIS CA C 13 54.413 0.300 . 1 . . . . 79 HIS CA . 26611 1 369 . 1 1 79 79 HIS CB C 13 29.403 0.300 . 1 . . . . 79 HIS CB . 26611 1 370 . 1 1 79 79 HIS N N 15 120.270 0.300 . 1 . . . . 79 HIS N . 26611 1 371 . 1 1 80 80 GLY H H 1 9.103 0.020 . 1 . . . . 80 GLY H . 26611 1 372 . 1 1 80 80 GLY C C 13 173.413 0.300 . 1 . . . . 80 GLY C . 26611 1 373 . 1 1 80 80 GLY CA C 13 44.262 0.300 . 1 . . . . 80 GLY CA . 26611 1 374 . 1 1 80 80 GLY N N 15 109.641 0.300 . 1 . . . . 80 GLY N . 26611 1 375 . 1 1 81 81 ARG H H 1 9.808 0.020 . 1 . . . . 81 ARG H . 26611 1 376 . 1 1 81 81 ARG C C 13 178.008 0.300 . 1 . . . . 81 ARG C . 26611 1 377 . 1 1 81 81 ARG CA C 13 58.424 0.300 . 1 . . . . 81 ARG CA . 26611 1 378 . 1 1 81 81 ARG CB C 13 30.438 0.300 . 1 . . . . 81 ARG CB . 26611 1 379 . 1 1 81 81 ARG N N 15 120.024 0.300 . 1 . . . . 81 ARG N . 26611 1 380 . 1 1 82 82 GLY H H 1 8.785 0.020 . 1 . . . . 82 GLY H . 26611 1 381 . 1 1 82 82 GLY C C 13 173.886 0.300 . 1 . . . . 82 GLY C . 26611 1 382 . 1 1 82 82 GLY CA C 13 42.993 0.300 . 1 . . . . 82 GLY CA . 26611 1 383 . 1 1 82 82 GLY N N 15 104.555 0.300 . 1 . . . . 82 GLY N . 26611 1 384 . 1 1 83 83 MET H H 1 6.328 0.020 . 1 . . . . 83 MET H . 26611 1 385 . 1 1 83 83 MET C C 13 171.066 0.300 . 1 . . . . 83 MET C . 26611 1 386 . 1 1 83 83 MET CA C 13 55.112 0.300 . 1 . . . . 83 MET CA . 26611 1 387 . 1 1 83 83 MET CB C 13 31.765 0.300 . 1 . . . . 83 MET CB . 26611 1 388 . 1 1 83 83 MET N N 15 123.099 0.300 . 1 . . . . 83 MET N . 26611 1 389 . 1 1 84 84 PRO C C 13 177.566 0.300 . 1 . . . . 84 PRO C . 26611 1 390 . 1 1 84 84 PRO CA C 13 62.755 0.300 . 1 . . . . 84 PRO CA . 26611 1 391 . 1 1 84 84 PRO CB C 13 31.321 0.300 . 1 . . . . 84 PRO CB . 26611 1 392 . 1 1 85 85 THR H H 1 7.434 0.020 . 1 . . . . 85 THR H . 26611 1 393 . 1 1 85 85 THR C C 13 175.039 0.300 . 1 . . . . 85 THR C . 26611 1 394 . 1 1 85 85 THR CA C 13 60.444 0.300 . 1 . . . . 85 THR CA . 26611 1 395 . 1 1 85 85 THR CB C 13 68.249 0.300 . 1 . . . . 85 THR CB . 26611 1 396 . 1 1 85 85 THR N N 15 107.402 0.300 . 1 . . . . 85 THR N . 26611 1 397 . 1 1 86 86 GLY H H 1 7.516 0.020 . 1 . . . . 86 GLY H . 26611 1 398 . 1 1 86 86 GLY C C 13 173.900 0.300 . 1 . . . . 86 GLY C . 26611 1 399 . 1 1 86 86 GLY CA C 13 43.603 0.300 . 1 . . . . 86 GLY CA . 26611 1 400 . 1 1 86 86 GLY N N 15 108.559 0.300 . 1 . . . . 86 GLY N . 26611 1 401 . 1 1 87 87 MET H H 1 8.534 0.020 . 1 . . . . 87 MET H . 26611 1 402 . 1 1 87 87 MET C C 13 175.659 0.300 . 1 . . . . 87 MET C . 26611 1 403 . 1 1 87 87 MET CA C 13 54.062 0.300 . 1 . . . . 87 MET CA . 26611 1 404 . 1 1 87 87 MET CB C 13 31.518 0.300 . 1 . . . . 87 MET CB . 26611 1 405 . 1 1 87 87 MET N N 15 118.871 0.300 . 1 . . . . 87 MET N . 26611 1 406 . 1 1 88 88 HIS H H 1 8.636 0.020 . 1 . . . . 88 HIS H . 26611 1 407 . 1 1 88 88 HIS C C 13 176.185 0.300 . 1 . . . . 88 HIS C . 26611 1 408 . 1 1 88 88 HIS CA C 13 56.292 0.300 . 1 . . . . 88 HIS CA . 26611 1 409 . 1 1 88 88 HIS CB C 13 32.414 0.300 . 1 . . . . 88 HIS CB . 26611 1 410 . 1 1 88 88 HIS N N 15 126.747 0.300 . 1 . . . . 88 HIS N . 26611 1 411 . 1 1 89 89 ALA H H 1 7.954 0.020 . 1 . . . . 89 ALA H . 26611 1 412 . 1 1 89 89 ALA C C 13 179.515 0.300 . 1 . . . . 89 ALA C . 26611 1 413 . 1 1 89 89 ALA CA C 13 54.753 0.300 . 1 . . . . 89 ALA CA . 26611 1 414 . 1 1 89 89 ALA CB C 13 17.573 0.300 . 1 . . . . 89 ALA CB . 26611 1 415 . 1 1 89 89 ALA N N 15 131.996 0.300 . 1 . . . . 89 ALA N . 26611 1 416 . 1 1 90 90 MET H H 1 11.552 0.020 . 1 . . . . 90 MET H . 26611 1 417 . 1 1 90 90 MET C C 13 177.286 0.300 . 1 . . . . 90 MET C . 26611 1 418 . 1 1 90 90 MET CA C 13 57.747 0.300 . 1 . . . . 90 MET CA . 26611 1 419 . 1 1 90 90 MET CB C 13 32.496 0.300 . 1 . . . . 90 MET CB . 26611 1 420 . 1 1 90 90 MET N N 15 119.149 0.300 . 1 . . . . 90 MET N . 26611 1 421 . 1 1 91 91 GLY H H 1 8.643 0.020 . 1 . . . . 91 GLY H . 26611 1 422 . 1 1 91 91 GLY C C 13 172.968 0.300 . 1 . . . . 91 GLY C . 26611 1 423 . 1 1 91 91 GLY CA C 13 45.111 0.300 . 1 . . . . 91 GLY CA . 26611 1 424 . 1 1 91 91 GLY N N 15 106.917 0.300 . 1 . . . . 91 GLY N . 26611 1 425 . 1 1 92 92 ILE H H 1 6.865 0.020 . 1 . . . . 92 ILE H . 26611 1 426 . 1 1 92 92 ILE C C 13 172.530 0.300 . 1 . . . . 92 ILE C . 26611 1 427 . 1 1 92 92 ILE CA C 13 57.975 0.300 . 1 . . . . 92 ILE CA . 26611 1 428 . 1 1 92 92 ILE CB C 13 38.371 0.300 . 1 . . . . 92 ILE CB . 26611 1 429 . 1 1 92 92 ILE N N 15 113.582 0.300 . 1 . . . . 92 ILE N . 26611 1 430 . 1 1 93 93 PRO C C 13 177.068 0.300 . 1 . . . . 93 PRO C . 26611 1 431 . 1 1 93 93 PRO CA C 13 63.733 0.300 . 1 . . . . 93 PRO CA . 26611 1 432 . 1 1 93 93 PRO CB C 13 31.598 0.300 . 1 . . . . 93 PRO CB . 26611 1 433 . 1 1 94 94 THR H H 1 8.688 0.020 . 1 . . . . 94 THR H . 26611 1 434 . 1 1 94 94 THR C C 13 175.881 0.300 . 1 . . . . 94 THR C . 26611 1 435 . 1 1 94 94 THR CA C 13 68.340 0.300 . 1 . . . . 94 THR CA . 26611 1 436 . 1 1 94 94 THR N N 15 123.898 0.300 . 1 . . . . 94 THR N . 26611 1 437 . 1 1 95 95 VAL H H 1 9.132 0.020 . 1 . . . . 95 VAL H . 26611 1 438 . 1 1 95 95 VAL C C 13 175.772 0.300 . 1 . . . . 95 VAL C . 26611 1 439 . 1 1 95 95 VAL CA C 13 66.096 0.300 . 1 . . . . 95 VAL CA . 26611 1 440 . 1 1 95 95 VAL CB C 13 31.207 0.300 . 1 . . . . 95 VAL CB . 26611 1 441 . 1 1 95 95 VAL N N 15 119.940 0.300 . 1 . . . . 95 VAL N . 26611 1 442 . 1 1 96 96 GLU H H 1 6.915 0.020 . 1 . . . . 96 GLU H . 26611 1 443 . 1 1 96 96 GLU C C 13 180.369 0.300 . 1 . . . . 96 GLU C . 26611 1 444 . 1 1 96 96 GLU CA C 13 59.755 0.300 . 1 . . . . 96 GLU CA . 26611 1 445 . 1 1 96 96 GLU CB C 13 28.984 0.300 . 1 . . . . 96 GLU CB . 26611 1 446 . 1 1 96 96 GLU N N 15 119.305 0.300 . 1 . . . . 96 GLU N . 26611 1 447 . 1 1 97 97 VAL H H 1 8.006 0.020 . 1 . . . . 97 VAL H . 26611 1 448 . 1 1 97 97 VAL C C 13 177.934 0.300 . 1 . . . . 97 VAL C . 26611 1 449 . 1 1 97 97 VAL CA C 13 66.596 0.300 . 1 . . . . 97 VAL CA . 26611 1 450 . 1 1 97 97 VAL CB C 13 29.925 0.300 . 1 . . . . 97 VAL CB . 26611 1 451 . 1 1 97 97 VAL N N 15 124.079 0.300 . 1 . . . . 97 VAL N . 26611 1 452 . 1 1 98 98 ILE H H 1 7.927 0.020 . 1 . . . . 98 ILE H . 26611 1 453 . 1 1 98 98 ILE C C 13 177.075 0.300 . 1 . . . . 98 ILE C . 26611 1 454 . 1 1 98 98 ILE CA C 13 61.361 0.300 . 1 . . . . 98 ILE CA . 26611 1 455 . 1 1 98 98 ILE CB C 13 36.744 0.300 . 1 . . . . 98 ILE CB . 26611 1 456 . 1 1 98 98 ILE N N 15 117.759 0.300 . 1 . . . . 98 ILE N . 26611 1 457 . 1 1 99 99 PHE H H 1 7.501 0.020 . 1 . . . . 99 PHE H . 26611 1 458 . 1 1 99 99 PHE C C 13 176.896 0.300 . 1 . . . . 99 PHE C . 26611 1 459 . 1 1 99 99 PHE CA C 13 60.645 0.300 . 1 . . . . 99 PHE CA . 26611 1 460 . 1 1 99 99 PHE CB C 13 38.705 0.300 . 1 . . . . 99 PHE CB . 26611 1 461 . 1 1 99 99 PHE N N 15 110.706 0.300 . 1 . . . . 99 PHE N . 26611 1 462 . 1 1 100 100 THR H H 1 7.765 0.020 . 1 . . . . 100 THR H . 26611 1 463 . 1 1 100 100 THR CA C 13 61.900 0.300 . 1 . . . . 100 THR CA . 26611 1 464 . 1 1 100 100 THR CB C 13 71.187 0.300 . 1 . . . . 100 THR CB . 26611 1 465 . 1 1 100 100 THR N N 15 108.248 0.300 . 1 . . . . 100 THR N . 26611 1 466 . 1 1 101 101 ILE H H 1 7.655 0.020 . 1 . . . . 101 ILE H . 26611 1 467 . 1 1 101 101 ILE CA C 13 58.426 0.300 . 1 . . . . 101 ILE CA . 26611 1 468 . 1 1 101 101 ILE CB C 13 35.433 0.300 . 1 . . . . 101 ILE CB . 26611 1 469 . 1 1 101 101 ILE N N 15 122.919 0.300 . 1 . . . . 101 ILE N . 26611 1 470 . 1 1 102 102 LEU H H 1 8.458 0.020 . 1 . . . . 102 LEU H . 26611 1 471 . 1 1 102 102 LEU CA C 13 54.917 0.300 . 1 . . . . 102 LEU CA . 26611 1 472 . 1 1 102 102 LEU CB C 13 40.787 0.300 . 1 . . . . 102 LEU CB . 26611 1 473 . 1 1 102 102 LEU N N 15 129.214 0.300 . 1 . . . . 102 LEU N . 26611 1 474 . 1 1 103 103 HIS H H 1 8.272 0.020 . 1 . . . . 103 HIS H . 26611 1 475 . 1 1 103 103 HIS C C 13 175.004 0.300 . 1 . . . . 103 HIS C . 26611 1 476 . 1 1 103 103 HIS CA C 13 55.571 0.300 . 1 . . . . 103 HIS CA . 26611 1 477 . 1 1 103 103 HIS CB C 13 29.819 0.300 . 1 . . . . 103 HIS CB . 26611 1 478 . 1 1 103 103 HIS N N 15 121.014 0.300 . 1 . . . . 103 HIS N . 26611 1 479 . 1 1 104 104 ALA H H 1 8.159 0.020 . 1 . . . . 104 ALA H . 26611 1 480 . 1 1 104 104 ALA C C 13 177.929 0.300 . 1 . . . . 104 ALA C . 26611 1 481 . 1 1 104 104 ALA CA C 13 52.269 0.300 . 1 . . . . 104 ALA CA . 26611 1 482 . 1 1 104 104 ALA CB C 13 18.543 0.300 . 1 . . . . 104 ALA CB . 26611 1 483 . 1 1 104 104 ALA N N 15 124.465 0.300 . 1 . . . . 104 ALA N . 26611 1 484 . 1 1 105 105 GLY H H 1 8.469 0.020 . 1 . . . . 105 GLY H . 26611 1 485 . 1 1 105 105 GLY C C 13 174.576 0.300 . 1 . . . . 105 GLY C . 26611 1 486 . 1 1 105 105 GLY CA C 13 44.895 0.300 . 1 . . . . 105 GLY CA . 26611 1 487 . 1 1 105 105 GLY N N 15 107.392 0.300 . 1 . . . . 105 GLY N . 26611 1 488 . 1 1 106 106 GLY H H 1 8.159 0.020 . 1 . . . . 106 GLY H . 26611 1 489 . 1 1 106 106 GLY C C 13 174.039 0.300 . 1 . . . . 106 GLY C . 26611 1 490 . 1 1 106 106 GLY CA C 13 44.774 0.300 . 1 . . . . 106 GLY CA . 26611 1 491 . 1 1 106 106 GLY N N 15 108.029 0.300 . 1 . . . . 106 GLY N . 26611 1 492 . 1 1 107 107 LYS H H 1 8.142 0.020 . 1 . . . . 107 LYS H . 26611 1 493 . 1 1 107 107 LYS CA C 13 55.960 0.300 . 1 . . . . 107 LYS CA . 26611 1 494 . 1 1 107 107 LYS CB C 13 32.023 0.300 . 1 . . . . 107 LYS CB . 26611 1 495 . 1 1 107 107 LYS N N 15 120.482 0.300 . 1 . . . . 107 LYS N . 26611 1 496 . 1 1 108 108 PHE H H 1 8.261 0.020 . 1 . . . . 108 PHE H . 26611 1 497 . 1 1 108 108 PHE C C 13 176.315 0.300 . 1 . . . . 108 PHE C . 26611 1 498 . 1 1 108 108 PHE CA C 13 57.610 0.300 . 1 . . . . 108 PHE CA . 26611 1 499 . 1 1 108 108 PHE CB C 13 38.487 0.300 . 1 . . . . 108 PHE CB . 26611 1 500 . 1 1 108 108 PHE N N 15 119.946 0.300 . 1 . . . . 108 PHE N . 26611 1 501 . 1 1 109 109 GLY H H 1 8.140 0.020 . 1 . . . . 109 GLY H . 26611 1 502 . 1 1 109 109 GLY C C 13 174.089 0.300 . 1 . . . . 109 GLY C . 26611 1 503 . 1 1 109 109 GLY CA C 13 44.760 0.300 . 1 . . . . 109 GLY CA . 26611 1 504 . 1 1 109 109 GLY N N 15 110.818 0.300 . 1 . . . . 109 GLY N . 26611 1 505 . 1 1 110 110 GLN H H 1 8.286 0.020 . 1 . . . . 110 GLN H . 26611 1 506 . 1 1 110 110 GLN C C 13 176.547 0.300 . 1 . . . . 110 GLN C . 26611 1 507 . 1 1 110 110 GLN CA C 13 55.651 0.300 . 1 . . . . 110 GLN CA . 26611 1 508 . 1 1 110 110 GLN CB C 13 28.408 0.300 . 1 . . . . 110 GLN CB . 26611 1 509 . 1 1 110 110 GLN N N 15 119.835 0.300 . 1 . . . . 110 GLN N . 26611 1 510 . 1 1 111 111 GLY H H 1 8.495 0.020 . 1 . . . . 111 GLY H . 26611 1 511 . 1 1 111 111 GLY C C 13 174.426 0.300 . 1 . . . . 111 GLY C . 26611 1 512 . 1 1 111 111 GLY CA C 13 44.907 0.300 . 1 . . . . 111 GLY CA . 26611 1 513 . 1 1 111 111 GLY N N 15 109.800 0.300 . 1 . . . . 111 GLY N . 26611 1 514 . 1 1 112 112 GLY H H 1 8.125 0.020 . 1 . . . . 112 GLY H . 26611 1 515 . 1 1 112 112 GLY C C 13 173.720 0.300 . 1 . . . . 112 GLY C . 26611 1 516 . 1 1 112 112 GLY CA C 13 44.617 0.300 . 1 . . . . 112 GLY CA . 26611 1 517 . 1 1 112 112 GLY N N 15 108.364 0.300 . 1 . . . . 112 GLY N . 26611 1 518 . 1 1 113 113 TYR H H 1 8.099 0.020 . 1 . . . . 113 TYR H . 26611 1 519 . 1 1 113 113 TYR C C 13 175.714 0.300 . 1 . . . . 113 TYR C . 26611 1 520 . 1 1 113 113 TYR CA C 13 57.735 0.300 . 1 . . . . 113 TYR CA . 26611 1 521 . 1 1 113 113 TYR CB C 13 37.986 0.300 . 1 . . . . 113 TYR CB . 26611 1 522 . 1 1 113 113 TYR N N 15 120.397 0.300 . 1 . . . . 113 TYR N . 26611 1 523 . 1 1 114 114 LYS H H 1 8.157 0.020 . 1 . . . . 114 LYS H . 26611 1 524 . 1 1 114 114 LYS C C 13 176.617 0.300 . 1 . . . . 114 LYS C . 26611 1 525 . 1 1 114 114 LYS CA C 13 55.719 0.300 . 1 . . . . 114 LYS CA . 26611 1 526 . 1 1 114 114 LYS CB C 13 32.258 0.300 . 1 . . . . 114 LYS CB . 26611 1 527 . 1 1 114 114 LYS N N 15 122.863 0.300 . 1 . . . . 114 LYS N . 26611 1 528 . 1 1 115 115 THR H H 1 8.151 0.020 . 1 . . . . 115 THR H . 26611 1 529 . 1 1 115 115 THR C C 13 174.888 0.300 . 1 . . . . 115 THR C . 26611 1 530 . 1 1 115 115 THR CA C 13 61.535 0.300 . 1 . . . . 115 THR CA . 26611 1 531 . 1 1 115 115 THR CB C 13 69.061 0.300 . 1 . . . . 115 THR CB . 26611 1 532 . 1 1 115 115 THR N N 15 114.153 0.300 . 1 . . . . 115 THR N . 26611 1 533 . 1 1 116 116 SER H H 1 8.319 0.020 . 1 . . . . 116 SER H . 26611 1 534 . 1 1 116 116 SER C C 13 175.032 0.300 . 1 . . . . 116 SER C . 26611 1 535 . 1 1 116 116 SER CA C 13 58.243 0.300 . 1 . . . . 116 SER CA . 26611 1 536 . 1 1 116 116 SER CB C 13 62.857 0.300 . 1 . . . . 116 SER CB . 26611 1 537 . 1 1 116 116 SER N N 15 116.896 0.300 . 1 . . . . 116 SER N . 26611 1 538 . 1 1 117 117 GLY H H 1 8.359 0.020 . 1 . . . . 117 GLY H . 26611 1 539 . 1 1 117 117 GLY C C 13 174.456 0.300 . 1 . . . . 117 GLY C . 26611 1 540 . 1 1 117 117 GLY CA C 13 44.876 0.300 . 1 . . . . 117 GLY CA . 26611 1 541 . 1 1 117 117 GLY N N 15 110.505 0.300 . 1 . . . . 117 GLY N . 26611 1 542 . 1 1 118 118 GLY H H 1 8.228 0.020 . 1 . . . . 118 GLY H . 26611 1 543 . 1 1 118 118 GLY C C 13 173.893 0.300 . 1 . . . . 118 GLY C . 26611 1 544 . 1 1 118 118 GLY CA C 13 44.652 0.300 . 1 . . . . 118 GLY CA . 26611 1 545 . 1 1 118 118 GLY N N 15 108.597 0.300 . 1 . . . . 118 GLY N . 26611 1 546 . 1 1 119 119 LEU H H 1 8.122 0.020 . 1 . . . . 119 LEU H . 26611 1 547 . 1 1 119 119 LEU C C 13 175.474 0.300 . 1 . . . . 119 LEU C . 26611 1 548 . 1 1 119 119 LEU CA C 13 54.615 0.300 . 1 . . . . 119 LEU CA . 26611 1 549 . 1 1 119 119 LEU CB C 13 41.144 0.300 . 1 . . . . 119 LEU CB . 26611 1 550 . 1 1 119 119 LEU N N 15 121.369 0.300 . 1 . . . . 119 LEU N . 26611 1 551 . 1 1 120 120 HIS H H 1 8.351 0.020 . 1 . . . . 120 HIS H . 26611 1 552 . 1 1 120 120 HIS C C 13 175.474 0.300 . 1 . . . . 120 HIS C . 26611 1 553 . 1 1 120 120 HIS CA C 13 55.639 0.300 . 1 . . . . 120 HIS CA . 26611 1 554 . 1 1 120 120 HIS CB C 13 29.443 0.300 . 1 . . . . 120 HIS CB . 26611 1 555 . 1 1 120 120 HIS N N 15 119.782 0.300 . 1 . . . . 120 HIS N . 26611 1 556 . 1 1 121 121 GLY H H 1 8.495 0.020 . 1 . . . . 121 GLY H . 26611 1 557 . 1 1 121 121 GLY C C 13 174.960 0.300 . 1 . . . . 121 GLY C . 26611 1 558 . 1 1 121 121 GLY CA C 13 45.165 0.300 . 1 . . . . 121 GLY CA . 26611 1 559 . 1 1 121 121 GLY N N 15 109.756 0.300 . 1 . . . . 121 GLY N . 26611 1 560 . 1 1 122 122 VAL H H 1 8.066 0.020 . 1 . . . . 122 VAL H . 26611 1 561 . 1 1 122 122 VAL C C 13 176.405 0.300 . 1 . . . . 122 VAL C . 26611 1 562 . 1 1 122 122 VAL CA C 13 61.899 0.300 . 1 . . . . 122 VAL CA . 26611 1 563 . 1 1 122 122 VAL N N 15 115.930 0.300 . 1 . . . . 122 VAL N . 26611 1 564 . 1 1 123 123 GLY H H 1 8.622 0.020 . 1 . . . . 123 GLY H . 26611 1 565 . 1 1 123 123 GLY C C 13 174.964 0.300 . 1 . . . . 123 GLY C . 26611 1 566 . 1 1 123 123 GLY CA C 13 45.275 0.300 . 1 . . . . 123 GLY CA . 26611 1 567 . 1 1 123 123 GLY N N 15 110.287 0.300 . 1 . . . . 123 GLY N . 26611 1 568 . 1 1 124 124 SER H H 1 8.025 0.020 . 1 . . . . 124 SER H . 26611 1 569 . 1 1 124 124 SER C C 13 174.959 0.300 . 1 . . . . 124 SER C . 26611 1 570 . 1 1 124 124 SER CA C 13 62.330 0.300 . 1 . . . . 124 SER CA . 26611 1 571 . 1 1 124 124 SER CB C 13 61.367 0.300 . 1 . . . . 124 SER CB . 26611 1 572 . 1 1 124 124 SER N N 15 116.854 0.300 . 1 . . . . 124 SER N . 26611 1 573 . 1 1 125 125 SER H H 1 7.677 0.020 . 1 . . . . 125 SER H . 26611 1 574 . 1 1 125 125 SER C C 13 176.057 0.300 . 1 . . . . 125 SER C . 26611 1 575 . 1 1 125 125 SER CA C 13 59.654 0.300 . 1 . . . . 125 SER CA . 26611 1 576 . 1 1 125 125 SER CB C 13 61.726 0.300 . 1 . . . . 125 SER CB . 26611 1 577 . 1 1 125 125 SER N N 15 114.776 0.300 . 1 . . . . 125 SER N . 26611 1 578 . 1 1 126 126 VAL H H 1 6.903 0.020 . 1 . . . . 126 VAL H . 26611 1 579 . 1 1 126 126 VAL C C 13 176.591 0.300 . 1 . . . . 126 VAL C . 26611 1 580 . 1 1 126 126 VAL CA C 13 65.791 0.300 . 1 . . . . 126 VAL CA . 26611 1 581 . 1 1 126 126 VAL CB C 13 30.314 0.300 . 1 . . . . 126 VAL CB . 26611 1 582 . 1 1 126 126 VAL N N 15 123.540 0.300 . 1 . . . . 126 VAL N . 26611 1 583 . 1 1 127 127 VAL H H 1 7.167 0.020 . 1 . . . . 127 VAL H . 26611 1 584 . 1 1 127 127 VAL C C 13 178.670 0.300 . 1 . . . . 127 VAL C . 26611 1 585 . 1 1 127 127 VAL CA C 13 65.670 0.300 . 1 . . . . 127 VAL CA . 26611 1 586 . 1 1 127 127 VAL CB C 13 29.969 0.300 . 1 . . . . 127 VAL CB . 26611 1 587 . 1 1 127 127 VAL N N 15 116.238 0.300 . 1 . . . . 127 VAL N . 26611 1 588 . 1 1 128 128 ASN H H 1 7.474 0.020 . 1 . . . . 128 ASN H . 26611 1 589 . 1 1 128 128 ASN C C 13 176.899 0.300 . 1 . . . . 128 ASN C . 26611 1 590 . 1 1 128 128 ASN CA C 13 54.444 0.300 . 1 . . . . 128 ASN CA . 26611 1 591 . 1 1 128 128 ASN CB C 13 38.090 0.300 . 1 . . . . 128 ASN CB . 26611 1 592 . 1 1 128 128 ASN N N 15 117.489 0.300 . 1 . . . . 128 ASN N . 26611 1 593 . 1 1 129 129 ALA H H 1 8.089 0.020 . 1 . . . . 129 ALA H . 26611 1 594 . 1 1 129 129 ALA C C 13 177.514 0.300 . 1 . . . . 129 ALA C . 26611 1 595 . 1 1 129 129 ALA CA C 13 53.237 0.300 . 1 . . . . 129 ALA CA . 26611 1 596 . 1 1 129 129 ALA CB C 13 18.138 0.300 . 1 . . . . 129 ALA CB . 26611 1 597 . 1 1 129 129 ALA N N 15 117.053 0.300 . 1 . . . . 129 ALA N . 26611 1 598 . 1 1 130 130 LEU H H 1 6.999 0.020 . 1 . . . . 130 LEU H . 26611 1 599 . 1 1 130 130 LEU C C 13 174.405 0.300 . 1 . . . . 130 LEU C . 26611 1 600 . 1 1 130 130 LEU CA C 13 52.707 0.300 . 1 . . . . 130 LEU CA . 26611 1 601 . 1 1 130 130 LEU CB C 13 39.458 0.300 . 1 . . . . 130 LEU CB . 26611 1 602 . 1 1 130 130 LEU N N 15 113.037 0.300 . 1 . . . . 130 LEU N . 26611 1 603 . 1 1 131 131 SER H H 1 7.515 0.020 . 1 . . . . 131 SER H . 26611 1 604 . 1 1 131 131 SER C C 13 175.785 0.300 . 1 . . . . 131 SER C . 26611 1 605 . 1 1 131 131 SER CA C 13 59.306 0.300 . 1 . . . . 131 SER CA . 26611 1 606 . 1 1 131 131 SER CB C 13 63.943 0.300 . 1 . . . . 131 SER CB . 26611 1 607 . 1 1 131 131 SER N N 15 114.902 0.300 . 1 . . . . 131 SER N . 26611 1 608 . 1 1 132 132 SER H H 1 9.129 0.020 . 1 . . . . 132 SER H . 26611 1 609 . 1 1 132 132 SER C C 13 176.768 0.300 . 1 . . . . 132 SER C . 26611 1 610 . 1 1 132 132 SER CA C 13 60.869 0.300 . 1 . . . . 132 SER CA . 26611 1 611 . 1 1 132 132 SER CB C 13 63.134 0.300 . 1 . . . . 132 SER CB . 26611 1 612 . 1 1 132 132 SER N N 15 121.986 0.300 . 1 . . . . 132 SER N . 26611 1 613 . 1 1 133 133 TRP H H 1 7.346 0.020 . 1 . . . . 133 TRP H . 26611 1 614 . 1 1 133 133 TRP C C 13 173.514 0.300 . 1 . . . . 133 TRP C . 26611 1 615 . 1 1 133 133 TRP CA C 13 56.672 0.300 . 1 . . . . 133 TRP CA . 26611 1 616 . 1 1 133 133 TRP CB C 13 30.755 0.300 . 1 . . . . 133 TRP CB . 26611 1 617 . 1 1 133 133 TRP N N 15 115.715 0.300 . 1 . . . . 133 TRP N . 26611 1 618 . 1 1 134 134 LEU H H 1 9.209 0.020 . 1 . . . . 134 LEU H . 26611 1 619 . 1 1 134 134 LEU C C 13 175.136 0.300 . 1 . . . . 134 LEU C . 26611 1 620 . 1 1 134 134 LEU CA C 13 55.837 0.300 . 1 . . . . 134 LEU CA . 26611 1 621 . 1 1 134 134 LEU CB C 13 43.702 0.300 . 1 . . . . 134 LEU CB . 26611 1 622 . 1 1 134 134 LEU N N 15 122.642 0.300 . 1 . . . . 134 LEU N . 26611 1 623 . 1 1 135 135 GLU H H 1 10.182 0.020 . 1 . . . . 135 GLU H . 26611 1 624 . 1 1 135 135 GLU C C 13 174.296 0.300 . 1 . . . . 135 GLU C . 26611 1 625 . 1 1 135 135 GLU CA C 13 54.649 0.300 . 1 . . . . 135 GLU CA . 26611 1 626 . 1 1 135 135 GLU CB C 13 33.741 0.300 . 1 . . . . 135 GLU CB . 26611 1 627 . 1 1 135 135 GLU N N 15 124.467 0.300 . 1 . . . . 135 GLU N . 26611 1 628 . 1 1 136 136 VAL H H 1 8.741 0.020 . 1 . . . . 136 VAL H . 26611 1 629 . 1 1 136 136 VAL C C 13 172.684 0.300 . 1 . . . . 136 VAL C . 26611 1 630 . 1 1 136 136 VAL CA C 13 58.647 0.300 . 1 . . . . 136 VAL CA . 26611 1 631 . 1 1 136 136 VAL CB C 13 33.773 0.300 . 1 . . . . 136 VAL CB . 26611 1 632 . 1 1 136 136 VAL N N 15 123.513 0.300 . 1 . . . . 136 VAL N . 26611 1 633 . 1 1 137 137 GLU H H 1 9.311 0.020 . 1 . . . . 137 GLU H . 26611 1 634 . 1 1 137 137 GLU C C 13 176.232 0.300 . 1 . . . . 137 GLU C . 26611 1 635 . 1 1 137 137 GLU CA C 13 53.619 0.300 . 1 . . . . 137 GLU CA . 26611 1 636 . 1 1 137 137 GLU CB C 13 32.295 0.300 . 1 . . . . 137 GLU CB . 26611 1 637 . 1 1 137 137 GLU N N 15 127.409 0.300 . 1 . . . . 137 GLU N . 26611 1 638 . 1 1 138 138 ILE H H 1 9.701 0.020 . 1 . . . . 138 ILE H . 26611 1 639 . 1 1 138 138 ILE C C 13 174.481 0.300 . 1 . . . . 138 ILE C . 26611 1 640 . 1 1 138 138 ILE CA C 13 59.746 0.300 . 1 . . . . 138 ILE CA . 26611 1 641 . 1 1 138 138 ILE CB C 13 42.014 0.300 . 1 . . . . 138 ILE CB . 26611 1 642 . 1 1 138 138 ILE N N 15 130.087 0.300 . 1 . . . . 138 ILE N . 26611 1 643 . 1 1 139 139 THR H H 1 9.295 0.020 . 1 . . . . 139 THR H . 26611 1 644 . 1 1 139 139 THR C C 13 173.688 0.300 . 1 . . . . 139 THR C . 26611 1 645 . 1 1 139 139 THR CA C 13 61.339 0.300 . 1 . . . . 139 THR CA . 26611 1 646 . 1 1 139 139 THR CB C 13 68.948 0.300 . 1 . . . . 139 THR CB . 26611 1 647 . 1 1 139 139 THR N N 15 125.189 0.300 . 1 . . . . 139 THR N . 26611 1 648 . 1 1 140 140 ARG H H 1 8.965 0.020 . 1 . . . . 140 ARG H . 26611 1 649 . 1 1 140 140 ARG C C 13 175.391 0.300 . 1 . . . . 140 ARG C . 26611 1 650 . 1 1 140 140 ARG CA C 13 56.709 0.300 . 1 . . . . 140 ARG CA . 26611 1 651 . 1 1 140 140 ARG CB C 13 31.631 0.300 . 1 . . . . 140 ARG CB . 26611 1 652 . 1 1 140 140 ARG N N 15 120.762 0.300 . 1 . . . . 140 ARG N . 26611 1 653 . 1 1 141 141 ASP H H 1 9.185 0.020 . 1 . . . . 141 ASP H . 26611 1 654 . 1 1 141 141 ASP C C 13 176.082 0.300 . 1 . . . . 141 ASP C . 26611 1 655 . 1 1 141 141 ASP CA C 13 55.110 0.300 . 1 . . . . 141 ASP CA . 26611 1 656 . 1 1 141 141 ASP CB C 13 39.350 0.300 . 1 . . . . 141 ASP CB . 26611 1 657 . 1 1 141 141 ASP N N 15 119.685 0.300 . 1 . . . . 141 ASP N . 26611 1 658 . 1 1 142 142 GLY H H 1 9.255 0.020 . 1 . . . . 142 GLY H . 26611 1 659 . 1 1 142 142 GLY C C 13 174.146 0.300 . 1 . . . . 142 GLY C . 26611 1 660 . 1 1 142 142 GLY CA C 13 44.882 0.300 . 1 . . . . 142 GLY CA . 26611 1 661 . 1 1 142 142 GLY N N 15 105.324 0.300 . 1 . . . . 142 GLY N . 26611 1 662 . 1 1 143 143 ALA H H 1 8.198 0.020 . 1 . . . . 143 ALA H . 26611 1 663 . 1 1 143 143 ALA C C 13 172.731 0.300 . 1 . . . . 143 ALA C . 26611 1 664 . 1 1 143 143 ALA CA C 13 50.045 0.300 . 1 . . . . 143 ALA CA . 26611 1 665 . 1 1 143 143 ALA CB C 13 22.270 0.300 . 1 . . . . 143 ALA CB . 26611 1 666 . 1 1 143 143 ALA N N 15 126.052 0.300 . 1 . . . . 143 ALA N . 26611 1 667 . 1 1 144 144 VAL H H 1 7.349 0.020 . 1 . . . . 144 VAL H . 26611 1 668 . 1 1 144 144 VAL C C 13 174.996 0.300 . 1 . . . . 144 VAL C . 26611 1 669 . 1 1 144 144 VAL CA C 13 60.185 0.300 . 1 . . . . 144 VAL CA . 26611 1 670 . 1 1 144 144 VAL CB C 13 32.731 0.300 . 1 . . . . 144 VAL CB . 26611 1 671 . 1 1 144 144 VAL N N 15 117.242 0.300 . 1 . . . . 144 VAL N . 26611 1 672 . 1 1 145 145 TYR H H 1 9.825 0.020 . 1 . . . . 145 TYR H . 26611 1 673 . 1 1 145 145 TYR C C 13 175.280 0.300 . 1 . . . . 145 TYR C . 26611 1 674 . 1 1 145 145 TYR CA C 13 55.365 0.300 . 1 . . . . 145 TYR CA . 26611 1 675 . 1 1 145 145 TYR CB C 13 41.265 0.300 . 1 . . . . 145 TYR CB . 26611 1 676 . 1 1 145 145 TYR N N 15 126.115 0.300 . 1 . . . . 145 TYR N . 26611 1 677 . 1 1 146 146 LYS H H 1 9.192 0.020 . 1 . . . . 146 LYS H . 26611 1 678 . 1 1 146 146 LYS C C 13 175.399 0.300 . 1 . . . . 146 LYS C . 26611 1 679 . 1 1 146 146 LYS CA C 13 54.500 0.300 . 1 . . . . 146 LYS CA . 26611 1 680 . 1 1 146 146 LYS CB C 13 37.400 0.300 . 1 . . . . 146 LYS CB . 26611 1 681 . 1 1 146 146 LYS N N 15 121.179 0.300 . 1 . . . . 146 LYS N . 26611 1 682 . 1 1 147 147 GLN H H 1 8.709 0.020 . 1 . . . . 147 GLN H . 26611 1 683 . 1 1 147 147 GLN C C 13 171.865 0.300 . 1 . . . . 147 GLN C . 26611 1 684 . 1 1 147 147 GLN CA C 13 55.984 0.300 . 1 . . . . 147 GLN CA . 26611 1 685 . 1 1 147 147 GLN CB C 13 30.616 0.300 . 1 . . . . 147 GLN CB . 26611 1 686 . 1 1 147 147 GLN N N 15 127.140 0.300 . 1 . . . . 147 GLN N . 26611 1 687 . 1 1 148 148 ARG H H 1 7.011 0.020 . 1 . . . . 148 ARG H . 26611 1 688 . 1 1 148 148 ARG C C 13 172.164 0.300 . 1 . . . . 148 ARG C . 26611 1 689 . 1 1 148 148 ARG CA C 13 53.858 0.300 . 1 . . . . 148 ARG CA . 26611 1 690 . 1 1 148 148 ARG CB C 13 32.576 0.300 . 1 . . . . 148 ARG CB . 26611 1 691 . 1 1 148 148 ARG N N 15 124.554 0.300 . 1 . . . . 148 ARG N . 26611 1 692 . 1 1 149 149 PHE H H 1 9.543 0.020 . 1 . . . . 149 PHE H . 26611 1 693 . 1 1 149 149 PHE C C 13 174.763 0.300 . 1 . . . . 149 PHE C . 26611 1 694 . 1 1 149 149 PHE CA C 13 54.599 0.300 . 1 . . . . 149 PHE CA . 26611 1 695 . 1 1 149 149 PHE CB C 13 41.951 0.300 . 1 . . . . 149 PHE CB . 26611 1 696 . 1 1 149 149 PHE N N 15 125.634 0.300 . 1 . . . . 149 PHE N . 26611 1 697 . 1 1 150 150 GLU H H 1 9.296 0.020 . 1 . . . . 150 GLU H . 26611 1 698 . 1 1 150 150 GLU C C 13 176.369 0.300 . 1 . . . . 150 GLU C . 26611 1 699 . 1 1 150 150 GLU CA C 13 54.657 0.300 . 1 . . . . 150 GLU CA . 26611 1 700 . 1 1 150 150 GLU CB C 13 34.986 0.300 . 1 . . . . 150 GLU CB . 26611 1 701 . 1 1 150 150 GLU N N 15 117.604 0.300 . 1 . . . . 150 GLU N . 26611 1 702 . 1 1 151 151 ASN H H 1 8.891 0.020 . 1 . . . . 151 ASN H . 26611 1 703 . 1 1 151 151 ASN C C 13 175.175 0.300 . 1 . . . . 151 ASN C . 26611 1 704 . 1 1 151 151 ASN CA C 13 52.938 0.300 . 1 . . . . 151 ASN CA . 26611 1 705 . 1 1 151 151 ASN CB C 13 36.097 0.300 . 1 . . . . 151 ASN CB . 26611 1 706 . 1 1 151 151 ASN N N 15 114.405 0.300 . 1 . . . . 151 ASN N . 26611 1 707 . 1 1 152 152 GLY H H 1 7.793 0.020 . 1 . . . . 152 GLY H . 26611 1 708 . 1 1 152 152 GLY C C 13 176.788 0.300 . 1 . . . . 152 GLY C . 26611 1 709 . 1 1 152 152 GLY CA C 13 47.252 0.300 . 1 . . . . 152 GLY CA . 26611 1 710 . 1 1 152 152 GLY N N 15 104.910 0.300 . 1 . . . . 152 GLY N . 26611 1 711 . 1 1 153 153 GLY H H 1 7.935 0.020 . 1 . . . . 153 GLY H . 26611 1 712 . 1 1 153 153 GLY C C 13 174.319 0.300 . 1 . . . . 153 GLY C . 26611 1 713 . 1 1 153 153 GLY CA C 13 45.138 0.300 . 1 . . . . 153 GLY CA . 26611 1 714 . 1 1 153 153 GLY N N 15 106.535 0.300 . 1 . . . . 153 GLY N . 26611 1 715 . 1 1 154 154 LYS H H 1 8.108 0.020 . 1 . . . . 154 LYS H . 26611 1 716 . 1 1 154 154 LYS C C 13 175.598 0.300 . 1 . . . . 154 LYS C . 26611 1 717 . 1 1 154 154 LYS CA C 13 53.320 0.300 . 1 . . . . 154 LYS CA . 26611 1 718 . 1 1 154 154 LYS CB C 13 30.635 0.300 . 1 . . . . 154 LYS CB . 26611 1 719 . 1 1 154 154 LYS N N 15 122.570 0.300 . 1 . . . . 154 LYS N . 26611 1 720 . 1 1 155 155 PRO C C 13 178.053 0.300 . 1 . . . . 155 PRO C . 26611 1 721 . 1 1 155 155 PRO CA C 13 62.957 0.300 . 1 . . . . 155 PRO CA . 26611 1 722 . 1 1 155 155 PRO CB C 13 30.345 0.300 . 1 . . . . 155 PRO CB . 26611 1 723 . 1 1 156 156 VAL H H 1 8.821 0.020 . 1 . . . . 156 VAL H . 26611 1 724 . 1 1 156 156 VAL C C 13 176.159 0.300 . 1 . . . . 156 VAL C . 26611 1 725 . 1 1 156 156 VAL CA C 13 61.426 0.300 . 1 . . . . 156 VAL CA . 26611 1 726 . 1 1 156 156 VAL CB C 13 30.952 0.300 . 1 . . . . 156 VAL CB . 26611 1 727 . 1 1 156 156 VAL N N 15 119.984 0.300 . 1 . . . . 156 VAL N . 26611 1 728 . 1 1 157 157 THR H H 1 7.645 0.020 . 1 . . . . 157 THR H . 26611 1 729 . 1 1 157 157 THR C C 13 173.979 0.300 . 1 . . . . 157 THR C . 26611 1 730 . 1 1 157 157 THR CA C 13 59.578 0.300 . 1 . . . . 157 THR CA . 26611 1 731 . 1 1 157 157 THR CB C 13 72.083 0.300 . 1 . . . . 157 THR CB . 26611 1 732 . 1 1 157 157 THR N N 15 110.828 0.300 . 1 . . . . 157 THR N . 26611 1 733 . 1 1 158 158 THR H H 1 7.967 0.020 . 1 . . . . 158 THR H . 26611 1 734 . 1 1 158 158 THR C C 13 174.806 0.300 . 1 . . . . 158 THR C . 26611 1 735 . 1 1 158 158 THR CA C 13 60.296 0.300 . 1 . . . . 158 THR CA . 26611 1 736 . 1 1 158 158 THR CB C 13 68.798 0.300 . 1 . . . . 158 THR CB . 26611 1 737 . 1 1 158 158 THR N N 15 111.383 0.300 . 1 . . . . 158 THR N . 26611 1 738 . 1 1 159 159 LEU H H 1 7.915 0.020 . 1 . . . . 159 LEU H . 26611 1 739 . 1 1 159 159 LEU C C 13 175.194 0.300 . 1 . . . . 159 LEU C . 26611 1 740 . 1 1 159 159 LEU CA C 13 55.052 0.300 . 1 . . . . 159 LEU CA . 26611 1 741 . 1 1 159 159 LEU CB C 13 39.690 0.300 . 1 . . . . 159 LEU CB . 26611 1 742 . 1 1 159 159 LEU N N 15 122.710 0.300 . 1 . . . . 159 LEU N . 26611 1 743 . 1 1 160 160 LYS H H 1 8.344 0.020 . 1 . . . . 160 LYS H . 26611 1 744 . 1 1 160 160 LYS C C 13 175.208 0.300 . 1 . . . . 160 LYS C . 26611 1 745 . 1 1 160 160 LYS CA C 13 54.123 0.300 . 1 . . . . 160 LYS CA . 26611 1 746 . 1 1 160 160 LYS CB C 13 34.337 0.300 . 1 . . . . 160 LYS CB . 26611 1 747 . 1 1 160 160 LYS N N 15 129.140 0.300 . 1 . . . . 160 LYS N . 26611 1 748 . 1 1 161 161 LYS H H 1 8.797 0.020 . 1 . . . . 161 LYS H . 26611 1 749 . 1 1 161 161 LYS C C 13 177.228 0.300 . 1 . . . . 161 LYS C . 26611 1 750 . 1 1 161 161 LYS CA C 13 56.302 0.300 . 1 . . . . 161 LYS CA . 26611 1 751 . 1 1 161 161 LYS CB C 13 31.228 0.300 . 1 . . . . 161 LYS CB . 26611 1 752 . 1 1 161 161 LYS N N 15 124.604 0.300 . 1 . . . . 161 LYS N . 26611 1 753 . 1 1 162 162 ILE H H 1 9.156 0.020 . 1 . . . . 162 ILE H . 26611 1 754 . 1 1 162 162 ILE C C 13 176.018 0.300 . 1 . . . . 162 ILE C . 26611 1 755 . 1 1 162 162 ILE CA C 13 60.457 0.300 . 1 . . . . 162 ILE CA . 26611 1 756 . 1 1 162 162 ILE CB C 13 38.883 0.300 . 1 . . . . 162 ILE CB . 26611 1 757 . 1 1 162 162 ILE N N 15 122.073 0.300 . 1 . . . . 162 ILE N . 26611 1 758 . 1 1 163 163 GLY H H 1 7.417 0.020 . 1 . . . . 163 GLY H . 26611 1 759 . 1 1 163 163 GLY C C 13 171.851 0.300 . 1 . . . . 163 GLY C . 26611 1 760 . 1 1 163 163 GLY CA C 13 44.769 0.300 . 1 . . . . 163 GLY CA . 26611 1 761 . 1 1 163 163 GLY N N 15 108.527 0.300 . 1 . . . . 163 GLY N . 26611 1 762 . 1 1 164 164 THR H H 1 8.320 0.020 . 1 . . . . 164 THR H . 26611 1 763 . 1 1 164 164 THR C C 13 172.672 0.300 . 1 . . . . 164 THR C . 26611 1 764 . 1 1 164 164 THR CA C 13 60.520 0.300 . 1 . . . . 164 THR CA . 26611 1 765 . 1 1 164 164 THR CB C 13 70.717 0.300 . 1 . . . . 164 THR CB . 26611 1 766 . 1 1 164 164 THR N N 15 112.448 0.300 . 1 . . . . 164 THR N . 26611 1 767 . 1 1 165 165 ALA H H 1 7.675 0.020 . 1 . . . . 165 ALA H . 26611 1 768 . 1 1 165 165 ALA C C 13 176.214 0.300 . 1 . . . . 165 ALA C . 26611 1 769 . 1 1 165 165 ALA CA C 13 50.230 0.300 . 1 . . . . 165 ALA CA . 26611 1 770 . 1 1 165 165 ALA CB C 13 21.860 0.300 . 1 . . . . 165 ALA CB . 26611 1 771 . 1 1 165 165 ALA N N 15 123.381 0.300 . 1 . . . . 165 ALA N . 26611 1 772 . 1 1 166 166 LEU H H 1 8.229 0.020 . 1 . . . . 166 LEU H . 26611 1 773 . 1 1 166 166 LEU C C 13 179.591 0.300 . 1 . . . . 166 LEU C . 26611 1 774 . 1 1 166 166 LEU CA C 13 55.191 0.300 . 1 . . . . 166 LEU CA . 26611 1 775 . 1 1 166 166 LEU CB C 13 41.238 0.300 . 1 . . . . 166 LEU CB . 26611 1 776 . 1 1 166 166 LEU N N 15 120.401 0.300 . 1 . . . . 166 LEU N . 26611 1 777 . 1 1 167 167 LYS H H 1 8.701 0.020 . 1 . . . . 167 LYS H . 26611 1 778 . 1 1 167 167 LYS C C 13 176.292 0.300 . 1 . . . . 167 LYS C . 26611 1 779 . 1 1 167 167 LYS CA C 13 58.645 0.300 . 1 . . . . 167 LYS CA . 26611 1 780 . 1 1 167 167 LYS CB C 13 30.270 0.300 . 1 . . . . 167 LYS CB . 26611 1 781 . 1 1 167 167 LYS N N 15 122.199 0.300 . 1 . . . . 167 LYS N . 26611 1 782 . 1 1 168 168 SER H H 1 7.642 0.020 . 1 . . . . 168 SER H . 26611 1 783 . 1 1 168 168 SER C C 13 174.387 0.300 . 1 . . . . 168 SER C . 26611 1 784 . 1 1 168 168 SER CA C 13 57.986 0.300 . 1 . . . . 168 SER CA . 26611 1 785 . 1 1 168 168 SER CB C 13 62.439 0.300 . 1 . . . . 168 SER CB . 26611 1 786 . 1 1 168 168 SER N N 15 109.823 0.300 . 1 . . . . 168 SER N . 26611 1 787 . 1 1 169 169 LYS H H 1 7.555 0.020 . 1 . . . . 169 LYS H . 26611 1 788 . 1 1 169 169 LYS C C 13 175.089 0.300 . 1 . . . . 169 LYS C . 26611 1 789 . 1 1 169 169 LYS CA C 13 55.725 0.300 . 1 . . . . 169 LYS CA . 26611 1 790 . 1 1 169 169 LYS CB C 13 31.976 0.300 . 1 . . . . 169 LYS CB . 26611 1 791 . 1 1 169 169 LYS N N 15 124.544 0.300 . 1 . . . . 169 LYS N . 26611 1 792 . 1 1 170 170 THR H H 1 7.895 0.020 . 1 . . . . 170 THR H . 26611 1 793 . 1 1 170 170 THR C C 13 173.958 0.300 . 1 . . . . 170 THR C . 26611 1 794 . 1 1 170 170 THR CA C 13 59.436 0.300 . 1 . . . . 170 THR CA . 26611 1 795 . 1 1 170 170 THR CB C 13 71.844 0.300 . 1 . . . . 170 THR CB . 26611 1 796 . 1 1 170 170 THR N N 15 113.723 0.300 . 1 . . . . 170 THR N . 26611 1 797 . 1 1 171 171 GLY H H 1 8.412 0.020 . 1 . . . . 171 GLY H . 26611 1 798 . 1 1 171 171 GLY C C 13 172.146 0.300 . 1 . . . . 171 GLY C . 26611 1 799 . 1 1 171 171 GLY CA C 13 44.773 0.300 . 1 . . . . 171 GLY CA . 26611 1 800 . 1 1 171 171 GLY N N 15 106.280 0.300 . 1 . . . . 171 GLY N . 26611 1 801 . 1 1 172 172 THR H H 1 7.729 0.020 . 1 . . . . 172 THR H . 26611 1 802 . 1 1 172 172 THR C C 13 172.191 0.300 . 1 . . . . 172 THR C . 26611 1 803 . 1 1 172 172 THR CA C 13 62.915 0.300 . 1 . . . . 172 THR CA . 26611 1 804 . 1 1 172 172 THR CB C 13 70.180 0.300 . 1 . . . . 172 THR CB . 26611 1 805 . 1 1 172 172 THR N N 15 116.160 0.300 . 1 . . . . 172 THR N . 26611 1 806 . 1 1 173 173 LYS H H 1 9.314 0.020 . 1 . . . . 173 LYS H . 26611 1 807 . 1 1 173 173 LYS C C 13 174.761 0.300 . 1 . . . . 173 LYS C . 26611 1 808 . 1 1 173 173 LYS CA C 13 54.648 0.300 . 1 . . . . 173 LYS CA . 26611 1 809 . 1 1 173 173 LYS CB C 13 35.429 0.300 . 1 . . . . 173 LYS CB . 26611 1 810 . 1 1 173 173 LYS N N 15 128.571 0.300 . 1 . . . . 173 LYS N . 26611 1 811 . 1 1 174 174 VAL H H 1 9.354 0.020 . 1 . . . . 174 VAL H . 26611 1 812 . 1 1 174 174 VAL C C 13 174.611 0.300 . 1 . . . . 174 VAL C . 26611 1 813 . 1 1 174 174 VAL CA C 13 60.805 0.300 . 1 . . . . 174 VAL CA . 26611 1 814 . 1 1 174 174 VAL CB C 13 34.677 0.300 . 1 . . . . 174 VAL CB . 26611 1 815 . 1 1 174 174 VAL N N 15 128.077 0.300 . 1 . . . . 174 VAL N . 26611 1 816 . 1 1 175 175 THR H H 1 9.177 0.020 . 1 . . . . 175 THR H . 26611 1 817 . 1 1 175 175 THR C C 13 172.796 0.300 . 1 . . . . 175 THR C . 26611 1 818 . 1 1 175 175 THR CA C 13 60.415 0.300 . 1 . . . . 175 THR CA . 26611 1 819 . 1 1 175 175 THR CB C 13 70.815 0.300 . 1 . . . . 175 THR CB . 26611 1 820 . 1 1 175 175 THR N N 15 124.122 0.300 . 1 . . . . 175 THR N . 26611 1 821 . 1 1 176 176 PHE H H 1 8.911 0.020 . 1 . . . . 176 PHE H . 26611 1 822 . 1 1 176 176 PHE C C 13 170.605 0.300 . 1 . . . . 176 PHE C . 26611 1 823 . 1 1 176 176 PHE CA C 13 55.136 0.300 . 1 . . . . 176 PHE CA . 26611 1 824 . 1 1 176 176 PHE CB C 13 41.290 0.300 . 1 . . . . 176 PHE CB . 26611 1 825 . 1 1 176 176 PHE N N 15 121.846 0.300 . 1 . . . . 176 PHE N . 26611 1 826 . 1 1 177 177 MET H H 1 7.713 0.020 . 1 . . . . 177 MET H . 26611 1 827 . 1 1 177 177 MET C C 13 173.404 0.300 . 1 . . . . 177 MET C . 26611 1 828 . 1 1 177 177 MET CA C 13 48.895 0.300 . 1 . . . . 177 MET CA . 26611 1 829 . 1 1 177 177 MET CB C 13 32.022 0.300 . 1 . . . . 177 MET CB . 26611 1 830 . 1 1 177 177 MET N N 15 120.596 0.300 . 1 . . . . 177 MET N . 26611 1 831 . 1 1 178 178 PRO C C 13 174.705 0.300 . 1 . . . . 178 PRO C . 26611 1 832 . 1 1 178 178 PRO CA C 13 62.098 0.300 . 1 . . . . 178 PRO CA . 26611 1 833 . 1 1 178 178 PRO CB C 13 31.962 0.300 . 1 . . . . 178 PRO CB . 26611 1 834 . 1 1 179 179 ASP H H 1 8.698 0.020 . 1 . . . . 179 ASP H . 26611 1 835 . 1 1 179 179 ASP C C 13 177.156 0.300 . 1 . . . . 179 ASP C . 26611 1 836 . 1 1 179 179 ASP CA C 13 54.039 0.300 . 1 . . . . 179 ASP CA . 26611 1 837 . 1 1 179 179 ASP CB C 13 41.000 0.300 . 1 . . . . 179 ASP CB . 26611 1 838 . 1 1 179 179 ASP N N 15 119.495 0.300 . 1 . . . . 179 ASP N . 26611 1 839 . 1 1 180 180 ALA H H 1 8.918 0.020 . 1 . . . . 180 ALA H . 26611 1 840 . 1 1 180 180 ALA C C 13 177.706 0.300 . 1 . . . . 180 ALA C . 26611 1 841 . 1 1 180 180 ALA CA C 13 53.579 0.300 . 1 . . . . 180 ALA CA . 26611 1 842 . 1 1 180 180 ALA CB C 13 17.833 0.300 . 1 . . . . 180 ALA CB . 26611 1 843 . 1 1 180 180 ALA N N 15 132.241 0.300 . 1 . . . . 180 ALA N . 26611 1 844 . 1 1 181 181 THR H H 1 9.096 0.020 . 1 . . . . 181 THR H . 26611 1 845 . 1 1 181 181 THR C C 13 174.954 0.300 . 1 . . . . 181 THR C . 26611 1 846 . 1 1 181 181 THR CA C 13 62.869 0.300 . 1 . . . . 181 THR CA . 26611 1 847 . 1 1 181 181 THR CB C 13 68.818 0.300 . 1 . . . . 181 THR CB . 26611 1 848 . 1 1 181 181 THR N N 15 108.716 0.300 . 1 . . . . 181 THR N . 26611 1 849 . 1 1 182 182 ILE H H 1 7.417 0.020 . 1 . . . . 182 ILE H . 26611 1 850 . 1 1 182 182 ILE C C 13 175.707 0.300 . 1 . . . . 182 ILE C . 26611 1 851 . 1 1 182 182 ILE CA C 13 60.234 0.300 . 1 . . . . 182 ILE CA . 26611 1 852 . 1 1 182 182 ILE CB C 13 37.395 0.300 . 1 . . . . 182 ILE CB . 26611 1 853 . 1 1 182 182 ILE N N 15 121.372 0.300 . 1 . . . . 182 ILE N . 26611 1 854 . 1 1 183 183 PHE H H 1 7.091 0.020 . 1 . . . . 183 PHE H . 26611 1 855 . 1 1 183 183 PHE C C 13 176.597 0.300 . 1 . . . . 183 PHE C . 26611 1 856 . 1 1 183 183 PHE CA C 13 57.869 0.300 . 1 . . . . 183 PHE CA . 26611 1 857 . 1 1 183 183 PHE CB C 13 41.281 0.300 . 1 . . . . 183 PHE CB . 26611 1 858 . 1 1 183 183 PHE N N 15 116.255 0.300 . 1 . . . . 183 PHE N . 26611 1 859 . 1 1 184 184 SER H H 1 9.019 0.020 . 1 . . . . 184 SER H . 26611 1 860 . 1 1 184 184 SER C C 13 174.176 0.300 . 1 . . . . 184 SER C . 26611 1 861 . 1 1 184 184 SER CA C 13 58.901 0.300 . 1 . . . . 184 SER CA . 26611 1 862 . 1 1 184 184 SER CB C 13 62.230 0.300 . 1 . . . . 184 SER CB . 26611 1 863 . 1 1 184 184 SER N N 15 115.223 0.300 . 1 . . . . 184 SER N . 26611 1 864 . 1 1 185 185 THR H H 1 7.225 0.020 . 1 . . . . 185 THR H . 26611 1 865 . 1 1 185 185 THR C C 13 171.058 0.300 . 1 . . . . 185 THR C . 26611 1 866 . 1 1 185 185 THR CA C 13 58.200 0.300 . 1 . . . . 185 THR CA . 26611 1 867 . 1 1 185 185 THR CB C 13 68.558 0.300 . 1 . . . . 185 THR CB . 26611 1 868 . 1 1 185 185 THR N N 15 115.322 0.300 . 1 . . . . 185 THR N . 26611 1 869 . 1 1 186 186 THR H H 1 8.252 0.020 . 1 . . . . 186 THR H . 26611 1 870 . 1 1 186 186 THR C C 13 172.666 0.300 . 1 . . . . 186 THR C . 26611 1 871 . 1 1 186 186 THR CA C 13 59.576 0.300 . 1 . . . . 186 THR CA . 26611 1 872 . 1 1 186 186 THR CB C 13 67.012 0.300 . 1 . . . . 186 THR CB . 26611 1 873 . 1 1 186 186 THR N N 15 112.811 0.300 . 1 . . . . 186 THR N . 26611 1 874 . 1 1 187 187 ASP H H 1 7.188 0.020 . 1 . . . . 187 ASP H . 26611 1 875 . 1 1 187 187 ASP C C 13 174.138 0.300 . 1 . . . . 187 ASP C . 26611 1 876 . 1 1 187 187 ASP CA C 13 52.521 0.300 . 1 . . . . 187 ASP CA . 26611 1 877 . 1 1 187 187 ASP CB C 13 40.545 0.300 . 1 . . . . 187 ASP CB . 26611 1 878 . 1 1 187 187 ASP N N 15 122.056 0.300 . 1 . . . . 187 ASP N . 26611 1 879 . 1 1 188 188 PHE H H 1 7.817 0.020 . 1 . . . . 188 PHE H . 26611 1 880 . 1 1 188 188 PHE C C 13 176.028 0.300 . 1 . . . . 188 PHE C . 26611 1 881 . 1 1 188 188 PHE CA C 13 58.466 0.300 . 1 . . . . 188 PHE CA . 26611 1 882 . 1 1 188 188 PHE CB C 13 39.052 0.300 . 1 . . . . 188 PHE CB . 26611 1 883 . 1 1 188 188 PHE N N 15 125.240 0.300 . 1 . . . . 188 PHE N . 26611 1 884 . 1 1 189 189 LYS H H 1 11.429 0.020 . 1 . . . . 189 LYS H . 26611 1 885 . 1 1 189 189 LYS C C 13 176.554 0.300 . 1 . . . . 189 LYS C . 26611 1 886 . 1 1 189 189 LYS CA C 13 52.526 0.300 . 1 . . . . 189 LYS CA . 26611 1 887 . 1 1 189 189 LYS CB C 13 30.933 0.300 . 1 . . . . 189 LYS CB . 26611 1 888 . 1 1 189 189 LYS N N 15 123.661 0.300 . 1 . . . . 189 LYS N . 26611 1 889 . 1 1 190 190 TYR H H 1 9.334 0.020 . 1 . . . . 190 TYR H . 26611 1 890 . 1 1 190 190 TYR C C 13 177.780 0.300 . 1 . . . . 190 TYR C . 26611 1 891 . 1 1 190 190 TYR CA C 13 61.590 0.300 . 1 . . . . 190 TYR CA . 26611 1 892 . 1 1 190 190 TYR CB C 13 38.553 0.300 . 1 . . . . 190 TYR CB . 26611 1 893 . 1 1 190 190 TYR N N 15 127.836 0.300 . 1 . . . . 190 TYR N . 26611 1 894 . 1 1 191 191 ASN H H 1 9.375 0.020 . 1 . . . . 191 ASN H . 26611 1 895 . 1 1 191 191 ASN C C 13 177.141 0.300 . 1 . . . . 191 ASN C . 26611 1 896 . 1 1 191 191 ASN CA C 13 56.189 0.300 . 1 . . . . 191 ASN CA . 26611 1 897 . 1 1 191 191 ASN CB C 13 36.572 0.300 . 1 . . . . 191 ASN CB . 26611 1 898 . 1 1 191 191 ASN N N 15 116.396 0.300 . 1 . . . . 191 ASN N . 26611 1 899 . 1 1 192 192 THR H H 1 6.965 0.020 . 1 . . . . 192 THR H . 26611 1 900 . 1 1 192 192 THR C C 13 176.661 0.300 . 1 . . . . 192 THR C . 26611 1 901 . 1 1 192 192 THR CA C 13 65.620 0.300 . 1 . . . . 192 THR CA . 26611 1 902 . 1 1 192 192 THR CB C 13 68.255 0.300 . 1 . . . . 192 THR CB . 26611 1 903 . 1 1 192 192 THR N N 15 117.234 0.300 . 1 . . . . 192 THR N . 26611 1 904 . 1 1 193 193 ILE H H 1 8.092 0.020 . 1 . . . . 193 ILE H . 26611 1 905 . 1 1 193 193 ILE C C 13 176.874 0.300 . 1 . . . . 193 ILE C . 26611 1 906 . 1 1 193 193 ILE CA C 13 65.457 0.300 . 1 . . . . 193 ILE CA . 26611 1 907 . 1 1 193 193 ILE CB C 13 36.805 0.300 . 1 . . . . 193 ILE CB . 26611 1 908 . 1 1 193 193 ILE N N 15 121.022 0.300 . 1 . . . . 193 ILE N . 26611 1 909 . 1 1 194 194 SER H H 1 8.726 0.020 . 1 . . . . 194 SER H . 26611 1 910 . 1 1 194 194 SER C C 13 175.438 0.300 . 1 . . . . 194 SER C . 26611 1 911 . 1 1 194 194 SER CA C 13 61.888 0.300 . 1 . . . . 194 SER CA . 26611 1 912 . 1 1 194 194 SER N N 15 116.187 0.300 . 1 . . . . 194 SER N . 26611 1 913 . 1 1 195 195 GLU H H 1 7.521 0.020 . 1 . . . . 195 GLU H . 26611 1 914 . 1 1 195 195 GLU C C 13 178.839 0.300 . 1 . . . . 195 GLU C . 26611 1 915 . 1 1 195 195 GLU CA C 13 58.798 0.300 . 1 . . . . 195 GLU CA . 26611 1 916 . 1 1 195 195 GLU CB C 13 28.574 0.300 . 1 . . . . 195 GLU CB . 26611 1 917 . 1 1 195 195 GLU N N 15 117.829 0.300 . 1 . . . . 195 GLU N . 26611 1 918 . 1 1 196 196 ARG H H 1 6.960 0.020 . 1 . . . . 196 ARG H . 26611 1 919 . 1 1 196 196 ARG C C 13 179.591 0.300 . 1 . . . . 196 ARG C . 26611 1 920 . 1 1 196 196 ARG CA C 13 57.528 0.300 . 1 . . . . 196 ARG CA . 26611 1 921 . 1 1 196 196 ARG CB C 13 29.473 0.300 . 1 . . . . 196 ARG CB . 26611 1 922 . 1 1 196 196 ARG N N 15 119.594 0.300 . 1 . . . . 196 ARG N . 26611 1 923 . 1 1 197 197 LEU H H 1 8.471 0.020 . 1 . . . . 197 LEU H . 26611 1 924 . 1 1 197 197 LEU C C 13 178.111 0.300 . 1 . . . . 197 LEU C . 26611 1 925 . 1 1 197 197 LEU CA C 13 57.152 0.300 . 1 . . . . 197 LEU CA . 26611 1 926 . 1 1 197 197 LEU CB C 13 39.123 0.300 . 1 . . . . 197 LEU CB . 26611 1 927 . 1 1 197 197 LEU N N 15 119.006 0.300 . 1 . . . . 197 LEU N . 26611 1 928 . 1 1 198 198 ASN H H 1 7.701 0.020 . 1 . . . . 198 ASN H . 26611 1 929 . 1 1 198 198 ASN C C 13 176.902 0.300 . 1 . . . . 198 ASN C . 26611 1 930 . 1 1 198 198 ASN CA C 13 55.913 0.300 . 1 . . . . 198 ASN CA . 26611 1 931 . 1 1 198 198 ASN CB C 13 37.499 0.300 . 1 . . . . 198 ASN CB . 26611 1 932 . 1 1 198 198 ASN N N 15 117.788 0.300 . 1 . . . . 198 ASN N . 26611 1 933 . 1 1 199 199 GLU H H 1 7.122 0.020 . 1 . . . . 199 GLU H . 26611 1 934 . 1 1 199 199 GLU C C 13 180.033 0.300 . 1 . . . . 199 GLU C . 26611 1 935 . 1 1 199 199 GLU CA C 13 58.880 0.300 . 1 . . . . 199 GLU CA . 26611 1 936 . 1 1 199 199 GLU CB C 13 28.262 0.300 . 1 . . . . 199 GLU CB . 26611 1 937 . 1 1 199 199 GLU N N 15 117.216 0.300 . 1 . . . . 199 GLU N . 26611 1 938 . 1 1 200 200 SER H H 1 8.245 0.020 . 1 . . . . 200 SER H . 26611 1 939 . 1 1 200 200 SER C C 13 175.199 0.300 . 1 . . . . 200 SER C . 26611 1 940 . 1 1 200 200 SER CA C 13 62.414 0.300 . 1 . . . . 200 SER CA . 26611 1 941 . 1 1 200 200 SER N N 15 115.965 0.300 . 1 . . . . 200 SER N . 26611 1 942 . 1 1 201 201 ALA H H 1 8.549 0.020 . 1 . . . . 201 ALA H . 26611 1 943 . 1 1 201 201 ALA C C 13 179.387 0.300 . 1 . . . . 201 ALA C . 26611 1 944 . 1 1 201 201 ALA CA C 13 54.691 0.300 . 1 . . . . 201 ALA CA . 26611 1 945 . 1 1 201 201 ALA CB C 13 17.344 0.300 . 1 . . . . 201 ALA CB . 26611 1 946 . 1 1 201 201 ALA N N 15 123.568 0.300 . 1 . . . . 201 ALA N . 26611 1 947 . 1 1 202 202 PHE H H 1 7.865 0.020 . 1 . . . . 202 PHE H . 26611 1 948 . 1 1 202 202 PHE C C 13 176.350 0.300 . 1 . . . . 202 PHE C . 26611 1 949 . 1 1 202 202 PHE CA C 13 60.479 0.300 . 1 . . . . 202 PHE CA . 26611 1 950 . 1 1 202 202 PHE CB C 13 37.754 0.300 . 1 . . . . 202 PHE CB . 26611 1 951 . 1 1 202 202 PHE N N 15 118.407 0.300 . 1 . . . . 202 PHE N . 26611 1 952 . 1 1 203 203 LEU H H 1 7.419 0.020 . 1 . . . . 203 LEU H . 26611 1 953 . 1 1 203 203 LEU C C 13 178.118 0.300 . 1 . . . . 203 LEU C . 26611 1 954 . 1 1 203 203 LEU CA C 13 56.086 0.300 . 1 . . . . 203 LEU CA . 26611 1 955 . 1 1 203 203 LEU CB C 13 41.397 0.300 . 1 . . . . 203 LEU CB . 26611 1 956 . 1 1 203 203 LEU N N 15 117.856 0.300 . 1 . . . . 203 LEU N . 26611 1 957 . 1 1 204 204 LEU H H 1 7.746 0.020 . 1 . . . . 204 LEU H . 26611 1 958 . 1 1 204 204 LEU C C 13 176.498 0.300 . 1 . . . . 204 LEU C . 26611 1 959 . 1 1 204 204 LEU CA C 13 54.538 0.300 . 1 . . . . 204 LEU CA . 26611 1 960 . 1 1 204 204 LEU CB C 13 41.580 0.300 . 1 . . . . 204 LEU CB . 26611 1 961 . 1 1 204 204 LEU N N 15 120.797 0.300 . 1 . . . . 204 LEU N . 26611 1 962 . 1 1 205 205 LYS H H 1 7.196 0.020 . 1 . . . . 205 LYS H . 26611 1 963 . 1 1 205 205 LYS C C 13 176.825 0.300 . 1 . . . . 205 LYS C . 26611 1 964 . 1 1 205 205 LYS CA C 13 57.323 0.300 . 1 . . . . 205 LYS CA . 26611 1 965 . 1 1 205 205 LYS CB C 13 31.112 0.300 . 1 . . . . 205 LYS CB . 26611 1 966 . 1 1 205 205 LYS N N 15 111.677 0.300 . 1 . . . . 205 LYS N . 26611 1 967 . 1 1 206 206 ASN H H 1 8.638 0.020 . 1 . . . . 206 ASN H . 26611 1 968 . 1 1 206 206 ASN C C 13 174.043 0.300 . 1 . . . . 206 ASN C . 26611 1 969 . 1 1 206 206 ASN CA C 13 54.263 0.300 . 1 . . . . 206 ASN CA . 26611 1 970 . 1 1 206 206 ASN CB C 13 37.182 0.300 . 1 . . . . 206 ASN CB . 26611 1 971 . 1 1 206 206 ASN N N 15 112.569 0.300 . 1 . . . . 206 ASN N . 26611 1 972 . 1 1 207 207 VAL H H 1 7.583 0.020 . 1 . . . . 207 VAL H . 26611 1 973 . 1 1 207 207 VAL C C 13 175.340 0.300 . 1 . . . . 207 VAL C . 26611 1 974 . 1 1 207 207 VAL CA C 13 60.663 0.300 . 1 . . . . 207 VAL CA . 26611 1 975 . 1 1 207 207 VAL CB C 13 33.669 0.300 . 1 . . . . 207 VAL CB . 26611 1 976 . 1 1 207 207 VAL N N 15 119.233 0.300 . 1 . . . . 207 VAL N . 26611 1 977 . 1 1 208 208 THR H H 1 8.329 0.020 . 1 . . . . 208 THR H . 26611 1 978 . 1 1 208 208 THR C C 13 173.720 0.300 . 1 . . . . 208 THR C . 26611 1 979 . 1 1 208 208 THR CA C 13 62.192 0.300 . 1 . . . . 208 THR CA . 26611 1 980 . 1 1 208 208 THR CB C 13 69.053 0.300 . 1 . . . . 208 THR CB . 26611 1 981 . 1 1 208 208 THR N N 15 124.252 0.300 . 1 . . . . 208 THR N . 26611 1 982 . 1 1 209 209 LEU H H 1 9.135 0.020 . 1 . . . . 209 LEU H . 26611 1 983 . 1 1 209 209 LEU C C 13 175.056 0.300 . 1 . . . . 209 LEU C . 26611 1 984 . 1 1 209 209 LEU CA C 13 53.856 0.300 . 1 . . . . 209 LEU CA . 26611 1 985 . 1 1 209 209 LEU CB C 13 43.294 0.300 . 1 . . . . 209 LEU CB . 26611 1 986 . 1 1 209 209 LEU N N 15 128.555 0.300 . 1 . . . . 209 LEU N . 26611 1 987 . 1 1 210 210 SER H H 1 9.203 0.020 . 1 . . . . 210 SER H . 26611 1 988 . 1 1 210 210 SER C C 13 171.158 0.300 . 1 . . . . 210 SER C . 26611 1 989 . 1 1 210 210 SER CA C 13 55.948 0.300 . 1 . . . . 210 SER CA . 26611 1 990 . 1 1 210 210 SER CB C 13 66.665 0.300 . 1 . . . . 210 SER CB . 26611 1 991 . 1 1 210 210 SER N N 15 118.061 0.300 . 1 . . . . 210 SER N . 26611 1 992 . 1 1 211 211 LEU H H 1 8.968 0.020 . 1 . . . . 211 LEU H . 26611 1 993 . 1 1 211 211 LEU C C 13 174.487 0.300 . 1 . . . . 211 LEU C . 26611 1 994 . 1 1 211 211 LEU CA C 13 52.939 0.300 . 1 . . . . 211 LEU CA . 26611 1 995 . 1 1 211 211 LEU CB C 13 44.465 0.300 . 1 . . . . 211 LEU CB . 26611 1 996 . 1 1 211 211 LEU N N 15 123.908 0.300 . 1 . . . . 211 LEU N . 26611 1 997 . 1 1 212 212 THR H H 1 8.581 0.020 . 1 . . . . 212 THR H . 26611 1 998 . 1 1 212 212 THR C C 13 172.453 0.300 . 1 . . . . 212 THR C . 26611 1 999 . 1 1 212 212 THR CA C 13 61.437 0.300 . 1 . . . . 212 THR CA . 26611 1 1000 . 1 1 212 212 THR CB C 13 70.469 0.300 . 1 . . . . 212 THR CB . 26611 1 1001 . 1 1 212 212 THR N N 15 122.229 0.300 . 1 . . . . 212 THR N . 26611 1 1002 . 1 1 213 213 ASP H H 1 9.650 0.020 . 1 . . . . 213 ASP H . 26611 1 1003 . 1 1 213 213 ASP C C 13 177.217 0.300 . 1 . . . . 213 ASP C . 26611 1 1004 . 1 1 213 213 ASP CA C 13 51.835 0.300 . 1 . . . . 213 ASP CA . 26611 1 1005 . 1 1 213 213 ASP CB C 13 41.857 0.300 . 1 . . . . 213 ASP CB . 26611 1 1006 . 1 1 213 213 ASP N N 15 127.171 0.300 . 1 . . . . 213 ASP N . 26611 1 1007 . 1 1 214 214 LYS H H 1 9.457 0.020 . 1 . . . . 214 LYS H . 26611 1 1008 . 1 1 214 214 LYS C C 13 178.088 0.300 . 1 . . . . 214 LYS C . 26611 1 1009 . 1 1 214 214 LYS CA C 13 55.579 0.300 . 1 . . . . 214 LYS CA . 26611 1 1010 . 1 1 214 214 LYS CB C 13 30.530 0.300 . 1 . . . . 214 LYS CB . 26611 1 1011 . 1 1 214 214 LYS N N 15 122.470 0.300 . 1 . . . . 214 LYS N . 26611 1 1012 . 1 1 215 215 ARG H H 1 9.073 0.020 . 1 . . . . 215 ARG H . 26611 1 1013 . 1 1 215 215 ARG C C 13 178.776 0.300 . 1 . . . . 215 ARG C . 26611 1 1014 . 1 1 215 215 ARG CA C 13 57.981 0.300 . 1 . . . . 215 ARG CA . 26611 1 1015 . 1 1 215 215 ARG CB C 13 28.331 0.300 . 1 . . . . 215 ARG CB . 26611 1 1016 . 1 1 215 215 ARG N N 15 117.763 0.300 . 1 . . . . 215 ARG N . 26611 1 1017 . 1 1 216 216 THR H H 1 6.702 0.020 . 1 . . . . 216 THR H . 26611 1 1018 . 1 1 216 216 THR C C 13 175.128 0.300 . 1 . . . . 216 THR C . 26611 1 1019 . 1 1 216 216 THR CA C 13 60.381 0.300 . 1 . . . . 216 THR CA . 26611 1 1020 . 1 1 216 216 THR CB C 13 69.630 0.300 . 1 . . . . 216 THR CB . 26611 1 1021 . 1 1 216 216 THR N N 15 103.851 0.300 . 1 . . . . 216 THR N . 26611 1 1022 . 1 1 217 217 ASP H H 1 8.371 0.020 . 1 . . . . 217 ASP H . 26611 1 1023 . 1 1 217 217 ASP C C 13 174.758 0.300 . 1 . . . . 217 ASP C . 26611 1 1024 . 1 1 217 217 ASP CA C 13 56.229 0.300 . 1 . . . . 217 ASP CA . 26611 1 1025 . 1 1 217 217 ASP CB C 13 38.514 0.300 . 1 . . . . 217 ASP CB . 26611 1 1026 . 1 1 217 217 ASP N N 15 118.661 0.300 . 1 . . . . 217 ASP N . 26611 1 1027 . 1 1 218 218 GLU H H 1 7.561 0.020 . 1 . . . . 218 GLU H . 26611 1 1028 . 1 1 218 218 GLU C C 13 174.060 0.300 . 1 . . . . 218 GLU C . 26611 1 1029 . 1 1 218 218 GLU CA C 13 56.044 0.300 . 1 . . . . 218 GLU CA . 26611 1 1030 . 1 1 218 218 GLU CB C 13 30.904 0.300 . 1 . . . . 218 GLU CB . 26611 1 1031 . 1 1 218 218 GLU N N 15 120.072 0.300 . 1 . . . . 218 GLU N . 26611 1 1032 . 1 1 219 219 ALA H H 1 8.101 0.020 . 1 . . . . 219 ALA H . 26611 1 1033 . 1 1 219 219 ALA C C 13 176.179 0.300 . 1 . . . . 219 ALA C . 26611 1 1034 . 1 1 219 219 ALA CA C 13 51.380 0.300 . 1 . . . . 219 ALA CA . 26611 1 1035 . 1 1 219 219 ALA CB C 13 22.219 0.300 . 1 . . . . 219 ALA CB . 26611 1 1036 . 1 1 219 219 ALA N N 15 124.087 0.300 . 1 . . . . 219 ALA N . 26611 1 1037 . 1 1 220 220 ILE H H 1 9.072 0.020 . 1 . . . . 220 ILE H . 26611 1 1038 . 1 1 220 220 ILE C C 13 171.612 0.300 . 1 . . . . 220 ILE C . 26611 1 1039 . 1 1 220 220 ILE CA C 13 59.966 0.300 . 1 . . . . 220 ILE CA . 26611 1 1040 . 1 1 220 220 ILE CB C 13 40.842 0.300 . 1 . . . . 220 ILE CB . 26611 1 1041 . 1 1 220 220 ILE N N 15 120.458 0.300 . 1 . . . . 220 ILE N . 26611 1 1042 . 1 1 221 221 GLU H H 1 7.429 0.020 . 1 . . . . 221 GLU H . 26611 1 1043 . 1 1 221 221 GLU C C 13 174.033 0.300 . 1 . . . . 221 GLU C . 26611 1 1044 . 1 1 221 221 GLU CA C 13 53.979 0.300 . 1 . . . . 221 GLU CA . 26611 1 1045 . 1 1 221 221 GLU CB C 13 32.589 0.300 . 1 . . . . 221 GLU CB . 26611 1 1046 . 1 1 221 221 GLU N N 15 121.544 0.300 . 1 . . . . 221 GLU N . 26611 1 1047 . 1 1 222 222 PHE H H 1 9.118 0.020 . 1 . . . . 222 PHE H . 26611 1 1048 . 1 1 222 222 PHE C C 13 174.254 0.300 . 1 . . . . 222 PHE C . 26611 1 1049 . 1 1 222 222 PHE CA C 13 55.960 0.300 . 1 . . . . 222 PHE CA . 26611 1 1050 . 1 1 222 222 PHE CB C 13 41.810 0.300 . 1 . . . . 222 PHE CB . 26611 1 1051 . 1 1 222 222 PHE N N 15 120.118 0.300 . 1 . . . . 222 PHE N . 26611 1 1052 . 1 1 223 223 HIS H H 1 8.268 0.020 . 1 . . . . 223 HIS H . 26611 1 1053 . 1 1 223 223 HIS C C 13 173.067 0.300 . 1 . . . . 223 HIS C . 26611 1 1054 . 1 1 223 223 HIS CA C 13 56.017 0.300 . 1 . . . . 223 HIS CA . 26611 1 1055 . 1 1 223 223 HIS CB C 13 30.954 0.300 . 1 . . . . 223 HIS CB . 26611 1 1056 . 1 1 223 223 HIS N N 15 120.349 0.300 . 1 . . . . 223 HIS N . 26611 1 1057 . 1 1 224 224 TYR H H 1 9.365 0.020 . 1 . . . . 224 TYR H . 26611 1 1058 . 1 1 224 224 TYR C C 13 174.726 0.300 . 1 . . . . 224 TYR C . 26611 1 1059 . 1 1 224 224 TYR CA C 13 57.549 0.300 . 1 . . . . 224 TYR CA . 26611 1 1060 . 1 1 224 224 TYR CB C 13 39.068 0.300 . 1 . . . . 224 TYR CB . 26611 1 1061 . 1 1 224 224 TYR N N 15 127.897 0.300 . 1 . . . . 224 TYR N . 26611 1 1062 . 1 1 225 225 GLU H H 1 8.527 0.020 . 1 . . . . 225 GLU H . 26611 1 1063 . 1 1 225 225 GLU C C 13 176.396 0.300 . 1 . . . . 225 GLU C . 26611 1 1064 . 1 1 225 225 GLU CA C 13 55.433 0.300 . 1 . . . . 225 GLU CA . 26611 1 1065 . 1 1 225 225 GLU CB C 13 30.201 0.300 . 1 . . . . 225 GLU CB . 26611 1 1066 . 1 1 225 225 GLU N N 15 122.067 0.300 . 1 . . . . 225 GLU N . 26611 1 1067 . 1 1 226 226 ASN H H 1 8.702 0.020 . 1 . . . . 226 ASN H . 26611 1 1068 . 1 1 226 226 ASN C C 13 175.695 0.300 . 1 . . . . 226 ASN C . 26611 1 1069 . 1 1 226 226 ASN CA C 13 53.298 0.300 . 1 . . . . 226 ASN CA . 26611 1 1070 . 1 1 226 226 ASN CB C 13 38.621 0.300 . 1 . . . . 226 ASN CB . 26611 1 1071 . 1 1 226 226 ASN N N 15 119.625 0.300 . 1 . . . . 226 ASN N . 26611 1 1072 . 1 1 227 227 GLY H H 1 8.479 0.020 . 1 . . . . 227 GLY H . 26611 1 1073 . 1 1 227 227 GLY C C 13 173.984 0.300 . 1 . . . . 227 GLY C . 26611 1 1074 . 1 1 227 227 GLY CA C 13 45.049 0.300 . 1 . . . . 227 GLY CA . 26611 1 1075 . 1 1 227 227 GLY N N 15 109.975 0.300 . 1 . . . . 227 GLY N . 26611 1 1076 . 1 1 228 228 LEU H H 1 7.990 0.020 . 1 . . . . 228 LEU H . 26611 1 1077 . 1 1 228 228 LEU C C 13 177.439 0.300 . 1 . . . . 228 LEU C . 26611 1 1078 . 1 1 228 228 LEU CA C 13 54.685 0.300 . 1 . . . . 228 LEU CA . 26611 1 1079 . 1 1 228 228 LEU CB C 13 41.338 0.300 . 1 . . . . 228 LEU CB . 26611 1 1080 . 1 1 228 228 LEU N N 15 121.268 0.300 . 1 . . . . 228 LEU N . 26611 1 1081 . 1 1 229 229 GLU H H 1 8.440 0.020 . 1 . . . . 229 GLU H . 26611 1 1082 . 1 1 229 229 GLU C C 13 176.143 0.300 . 1 . . . . 229 GLU C . 26611 1 1083 . 1 1 229 229 GLU CA C 13 56.219 0.300 . 1 . . . . 229 GLU CA . 26611 1 1084 . 1 1 229 229 GLU CB C 13 29.178 0.300 . 1 . . . . 229 GLU CB . 26611 1 1085 . 1 1 229 229 GLU N N 15 121.191 0.300 . 1 . . . . 229 GLU N . 26611 1 1086 . 1 1 230 230 HIS H H 1 8.197 0.020 . 1 . . . . 230 HIS H . 26611 1 1087 . 1 1 230 230 HIS C C 13 176.598 0.300 . 1 . . . . 230 HIS C . 26611 1 1088 . 1 1 230 230 HIS CA C 13 55.616 0.300 . 1 . . . . 230 HIS CA . 26611 1 1089 . 1 1 230 230 HIS CB C 13 29.669 0.300 . 1 . . . . 230 HIS CB . 26611 1 1090 . 1 1 230 230 HIS N N 15 120.081 0.300 . 1 . . . . 230 HIS N . 26611 1 1091 . 1 1 231 231 HIS H H 1 7.966 0.020 . 1 . . . . 231 HIS H . 26611 1 1092 . 1 1 231 231 HIS CA C 13 56.981 0.300 . 1 . . . . 231 HIS CA . 26611 1 1093 . 1 1 231 231 HIS CB C 13 29.807 0.300 . 1 . . . . 231 HIS CB . 26611 1 1094 . 1 1 231 231 HIS N N 15 125.514 0.300 . 1 . . . . 231 HIS N . 26611 1 stop_ save_