data_26609 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26609 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the active domains of the type II topoisomerases from Pseudomonas aeruginosa 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 . . . 26609 2 'Hui Qi' Ng . . . 26609 3 'Michelle Yueqi' Lee . . . 26609 4 Qiwei Huang . . . 26609 5 'Ying Lei' Wong . . . 26609 6 CongBao Kang . . . 26609 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26609 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 612 26609 '15N chemical shifts' 204 26609 '1H chemical shifts' 204 26609 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 . 26609 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)' 26609 BMRB 26610 'active domains of the type II topoisomerases (step free form)' 26609 BMRB 26611 'active domains of the type II topoisomerases (with a bis-pyridylurea inhibitor)' 26609 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26609 _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 . . . 26609 1 2 Yan Li . . . 26609 1 3 Joseph Cherian . . . 26609 1 4 Boping Liu . . . 26609 1 5 'Hui Qi' Ng . . . 26609 1 6 'Michelle Yueqi' Lee . . . 26609 1 7 'Zhi Ying' Poh . . . 26609 1 8 'Yun Xuan' Wong . . . 26609 1 9 Qiwei Huang . . . 26609 1 10 'Ying Lei' Wong . . . 26609 1 11 Alvin Hung . . . 26609 1 12 Jeffrey Hill . . . 26609 1 13 'Thomas H' Keller . . . 26609 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26609 _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 $Pseudomonas_aeruginosa_active_domains_of_the_type_II_topoisomerases A . yes native no no . . . 26609 1 2 'bis-pyridylurea inhibitor' 2 $entity_1YM A . no native no no . . . 26609 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Pseudomonas_aeruginosa_active_domains_of_the_type_II_topoisomerases _Entity.Sf_category entity _Entity.Sf_framecode Pseudomonas_aeruginosa_active_domains_of_the_type_II_topoisomerases _Entity.Entry_ID 26609 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Pseudomonas_aeruginosa_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 ; MATYNADAIEVLSGLDPVRK RPGMYTDTTRPNHLAQEVID NSVDEALAGHAKSVQVILHQ DNSLEVIDDGRGMPVDIHPE EGVPGVELILTKLHAGGKFS NKNYQFSGGLHGVGISVVNA LSTRVEVRVKRDANEYRMTF ADGFKDSDLEVIGTVGKRNT GTSVHFWPDPKYFDSAKFSV SRLKHVLKAKAVLCPGLSVV FEDKNTGERVEWHFEDGLEH HHHHH ; _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 225 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 26609 1 2 2 ALA . 26609 1 3 3 THR . 26609 1 4 4 TYR . 26609 1 5 5 ASN . 26609 1 6 6 ALA . 26609 1 7 7 ASP . 26609 1 8 8 ALA . 26609 1 9 9 ILE . 26609 1 10 10 GLU . 26609 1 11 11 VAL . 26609 1 12 12 LEU . 26609 1 13 13 SER . 26609 1 14 14 GLY . 26609 1 15 15 LEU . 26609 1 16 16 ASP . 26609 1 17 17 PRO . 26609 1 18 18 VAL . 26609 1 19 19 ARG . 26609 1 20 20 LYS . 26609 1 21 21 ARG . 26609 1 22 22 PRO . 26609 1 23 23 GLY . 26609 1 24 24 MET . 26609 1 25 25 TYR . 26609 1 26 26 THR . 26609 1 27 27 ASP . 26609 1 28 28 THR . 26609 1 29 29 THR . 26609 1 30 30 ARG . 26609 1 31 31 PRO . 26609 1 32 32 ASN . 26609 1 33 33 HIS . 26609 1 34 34 LEU . 26609 1 35 35 ALA . 26609 1 36 36 GLN . 26609 1 37 37 GLU . 26609 1 38 38 VAL . 26609 1 39 39 ILE . 26609 1 40 40 ASP . 26609 1 41 41 ASN . 26609 1 42 42 SER . 26609 1 43 43 VAL . 26609 1 44 44 ASP . 26609 1 45 45 GLU . 26609 1 46 46 ALA . 26609 1 47 47 LEU . 26609 1 48 48 ALA . 26609 1 49 49 GLY . 26609 1 50 50 HIS . 26609 1 51 51 ALA . 26609 1 52 52 LYS . 26609 1 53 53 SER . 26609 1 54 54 VAL . 26609 1 55 55 GLN . 26609 1 56 56 VAL . 26609 1 57 57 ILE . 26609 1 58 58 LEU . 26609 1 59 59 HIS . 26609 1 60 60 GLN . 26609 1 61 61 ASP . 26609 1 62 62 ASN . 26609 1 63 63 SER . 26609 1 64 64 LEU . 26609 1 65 65 GLU . 26609 1 66 66 VAL . 26609 1 67 67 ILE . 26609 1 68 68 ASP . 26609 1 69 69 ASP . 26609 1 70 70 GLY . 26609 1 71 71 ARG . 26609 1 72 72 GLY . 26609 1 73 73 MET . 26609 1 74 74 PRO . 26609 1 75 75 VAL . 26609 1 76 76 ASP . 26609 1 77 77 ILE . 26609 1 78 78 HIS . 26609 1 79 79 PRO . 26609 1 80 80 GLU . 26609 1 81 81 GLU . 26609 1 82 82 GLY . 26609 1 83 83 VAL . 26609 1 84 84 PRO . 26609 1 85 85 GLY . 26609 1 86 86 VAL . 26609 1 87 87 GLU . 26609 1 88 88 LEU . 26609 1 89 89 ILE . 26609 1 90 90 LEU . 26609 1 91 91 THR . 26609 1 92 92 LYS . 26609 1 93 93 LEU . 26609 1 94 94 HIS . 26609 1 95 95 ALA . 26609 1 96 96 GLY . 26609 1 97 97 GLY . 26609 1 98 98 LYS . 26609 1 99 99 PHE . 26609 1 100 100 SER . 26609 1 101 101 ASN . 26609 1 102 102 LYS . 26609 1 103 103 ASN . 26609 1 104 104 TYR . 26609 1 105 105 GLN . 26609 1 106 106 PHE . 26609 1 107 107 SER . 26609 1 108 108 GLY . 26609 1 109 109 GLY . 26609 1 110 110 LEU . 26609 1 111 111 HIS . 26609 1 112 112 GLY . 26609 1 113 113 VAL . 26609 1 114 114 GLY . 26609 1 115 115 ILE . 26609 1 116 116 SER . 26609 1 117 117 VAL . 26609 1 118 118 VAL . 26609 1 119 119 ASN . 26609 1 120 120 ALA . 26609 1 121 121 LEU . 26609 1 122 122 SER . 26609 1 123 123 THR . 26609 1 124 124 ARG . 26609 1 125 125 VAL . 26609 1 126 126 GLU . 26609 1 127 127 VAL . 26609 1 128 128 ARG . 26609 1 129 129 VAL . 26609 1 130 130 LYS . 26609 1 131 131 ARG . 26609 1 132 132 ASP . 26609 1 133 133 ALA . 26609 1 134 134 ASN . 26609 1 135 135 GLU . 26609 1 136 136 TYR . 26609 1 137 137 ARG . 26609 1 138 138 MET . 26609 1 139 139 THR . 26609 1 140 140 PHE . 26609 1 141 141 ALA . 26609 1 142 142 ASP . 26609 1 143 143 GLY . 26609 1 144 144 PHE . 26609 1 145 145 LYS . 26609 1 146 146 ASP . 26609 1 147 147 SER . 26609 1 148 148 ASP . 26609 1 149 149 LEU . 26609 1 150 150 GLU . 26609 1 151 151 VAL . 26609 1 152 152 ILE . 26609 1 153 153 GLY . 26609 1 154 154 THR . 26609 1 155 155 VAL . 26609 1 156 156 GLY . 26609 1 157 157 LYS . 26609 1 158 158 ARG . 26609 1 159 159 ASN . 26609 1 160 160 THR . 26609 1 161 161 GLY . 26609 1 162 162 THR . 26609 1 163 163 SER . 26609 1 164 164 VAL . 26609 1 165 165 HIS . 26609 1 166 166 PHE . 26609 1 167 167 TRP . 26609 1 168 168 PRO . 26609 1 169 169 ASP . 26609 1 170 170 PRO . 26609 1 171 171 LYS . 26609 1 172 172 TYR . 26609 1 173 173 PHE . 26609 1 174 174 ASP . 26609 1 175 175 SER . 26609 1 176 176 ALA . 26609 1 177 177 LYS . 26609 1 178 178 PHE . 26609 1 179 179 SER . 26609 1 180 180 VAL . 26609 1 181 181 SER . 26609 1 182 182 ARG . 26609 1 183 183 LEU . 26609 1 184 184 LYS . 26609 1 185 185 HIS . 26609 1 186 186 VAL . 26609 1 187 187 LEU . 26609 1 188 188 LYS . 26609 1 189 189 ALA . 26609 1 190 190 LYS . 26609 1 191 191 ALA . 26609 1 192 192 VAL . 26609 1 193 193 LEU . 26609 1 194 194 CYS . 26609 1 195 195 PRO . 26609 1 196 196 GLY . 26609 1 197 197 LEU . 26609 1 198 198 SER . 26609 1 199 199 VAL . 26609 1 200 200 VAL . 26609 1 201 201 PHE . 26609 1 202 202 GLU . 26609 1 203 203 ASP . 26609 1 204 204 LYS . 26609 1 205 205 ASN . 26609 1 206 206 THR . 26609 1 207 207 GLY . 26609 1 208 208 GLU . 26609 1 209 209 ARG . 26609 1 210 210 VAL . 26609 1 211 211 GLU . 26609 1 212 212 TRP . 26609 1 213 213 HIS . 26609 1 214 214 PHE . 26609 1 215 215 GLU . 26609 1 216 216 ASP . 26609 1 217 217 GLY . 26609 1 218 218 LEU . 26609 1 219 219 GLU . 26609 1 220 220 HIS . 26609 1 221 221 HIS . 26609 1 222 222 HIS . 26609 1 223 223 HIS . 26609 1 224 224 HIS . 26609 1 225 225 HIS . 26609 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 26609 1 . ALA 2 2 26609 1 . THR 3 3 26609 1 . TYR 4 4 26609 1 . ASN 5 5 26609 1 . ALA 6 6 26609 1 . ASP 7 7 26609 1 . ALA 8 8 26609 1 . ILE 9 9 26609 1 . GLU 10 10 26609 1 . VAL 11 11 26609 1 . LEU 12 12 26609 1 . SER 13 13 26609 1 . GLY 14 14 26609 1 . LEU 15 15 26609 1 . ASP 16 16 26609 1 . PRO 17 17 26609 1 . VAL 18 18 26609 1 . ARG 19 19 26609 1 . LYS 20 20 26609 1 . ARG 21 21 26609 1 . PRO 22 22 26609 1 . GLY 23 23 26609 1 . MET 24 24 26609 1 . TYR 25 25 26609 1 . THR 26 26 26609 1 . ASP 27 27 26609 1 . THR 28 28 26609 1 . THR 29 29 26609 1 . ARG 30 30 26609 1 . PRO 31 31 26609 1 . ASN 32 32 26609 1 . HIS 33 33 26609 1 . LEU 34 34 26609 1 . ALA 35 35 26609 1 . GLN 36 36 26609 1 . GLU 37 37 26609 1 . VAL 38 38 26609 1 . ILE 39 39 26609 1 . ASP 40 40 26609 1 . ASN 41 41 26609 1 . SER 42 42 26609 1 . VAL 43 43 26609 1 . ASP 44 44 26609 1 . GLU 45 45 26609 1 . ALA 46 46 26609 1 . LEU 47 47 26609 1 . ALA 48 48 26609 1 . GLY 49 49 26609 1 . HIS 50 50 26609 1 . ALA 51 51 26609 1 . LYS 52 52 26609 1 . SER 53 53 26609 1 . VAL 54 54 26609 1 . GLN 55 55 26609 1 . VAL 56 56 26609 1 . ILE 57 57 26609 1 . LEU 58 58 26609 1 . HIS 59 59 26609 1 . GLN 60 60 26609 1 . ASP 61 61 26609 1 . ASN 62 62 26609 1 . SER 63 63 26609 1 . LEU 64 64 26609 1 . GLU 65 65 26609 1 . VAL 66 66 26609 1 . ILE 67 67 26609 1 . ASP 68 68 26609 1 . ASP 69 69 26609 1 . GLY 70 70 26609 1 . ARG 71 71 26609 1 . GLY 72 72 26609 1 . MET 73 73 26609 1 . PRO 74 74 26609 1 . VAL 75 75 26609 1 . ASP 76 76 26609 1 . ILE 77 77 26609 1 . HIS 78 78 26609 1 . PRO 79 79 26609 1 . GLU 80 80 26609 1 . GLU 81 81 26609 1 . GLY 82 82 26609 1 . VAL 83 83 26609 1 . PRO 84 84 26609 1 . GLY 85 85 26609 1 . VAL 86 86 26609 1 . GLU 87 87 26609 1 . LEU 88 88 26609 1 . ILE 89 89 26609 1 . LEU 90 90 26609 1 . THR 91 91 26609 1 . LYS 92 92 26609 1 . LEU 93 93 26609 1 . HIS 94 94 26609 1 . ALA 95 95 26609 1 . GLY 96 96 26609 1 . GLY 97 97 26609 1 . LYS 98 98 26609 1 . PHE 99 99 26609 1 . SER 100 100 26609 1 . ASN 101 101 26609 1 . LYS 102 102 26609 1 . ASN 103 103 26609 1 . TYR 104 104 26609 1 . GLN 105 105 26609 1 . PHE 106 106 26609 1 . SER 107 107 26609 1 . GLY 108 108 26609 1 . GLY 109 109 26609 1 . LEU 110 110 26609 1 . HIS 111 111 26609 1 . GLY 112 112 26609 1 . VAL 113 113 26609 1 . GLY 114 114 26609 1 . ILE 115 115 26609 1 . SER 116 116 26609 1 . VAL 117 117 26609 1 . VAL 118 118 26609 1 . ASN 119 119 26609 1 . ALA 120 120 26609 1 . LEU 121 121 26609 1 . SER 122 122 26609 1 . THR 123 123 26609 1 . ARG 124 124 26609 1 . VAL 125 125 26609 1 . GLU 126 126 26609 1 . VAL 127 127 26609 1 . ARG 128 128 26609 1 . VAL 129 129 26609 1 . LYS 130 130 26609 1 . ARG 131 131 26609 1 . ASP 132 132 26609 1 . ALA 133 133 26609 1 . ASN 134 134 26609 1 . GLU 135 135 26609 1 . TYR 136 136 26609 1 . ARG 137 137 26609 1 . MET 138 138 26609 1 . THR 139 139 26609 1 . PHE 140 140 26609 1 . ALA 141 141 26609 1 . ASP 142 142 26609 1 . GLY 143 143 26609 1 . PHE 144 144 26609 1 . LYS 145 145 26609 1 . ASP 146 146 26609 1 . SER 147 147 26609 1 . ASP 148 148 26609 1 . LEU 149 149 26609 1 . GLU 150 150 26609 1 . VAL 151 151 26609 1 . ILE 152 152 26609 1 . GLY 153 153 26609 1 . THR 154 154 26609 1 . VAL 155 155 26609 1 . GLY 156 156 26609 1 . LYS 157 157 26609 1 . ARG 158 158 26609 1 . ASN 159 159 26609 1 . THR 160 160 26609 1 . GLY 161 161 26609 1 . THR 162 162 26609 1 . SER 163 163 26609 1 . VAL 164 164 26609 1 . HIS 165 165 26609 1 . PHE 166 166 26609 1 . TRP 167 167 26609 1 . PRO 168 168 26609 1 . ASP 169 169 26609 1 . PRO 170 170 26609 1 . LYS 171 171 26609 1 . TYR 172 172 26609 1 . PHE 173 173 26609 1 . ASP 174 174 26609 1 . SER 175 175 26609 1 . ALA 176 176 26609 1 . LYS 177 177 26609 1 . PHE 178 178 26609 1 . SER 179 179 26609 1 . VAL 180 180 26609 1 . SER 181 181 26609 1 . ARG 182 182 26609 1 . LEU 183 183 26609 1 . LYS 184 184 26609 1 . HIS 185 185 26609 1 . VAL 186 186 26609 1 . LEU 187 187 26609 1 . LYS 188 188 26609 1 . ALA 189 189 26609 1 . LYS 190 190 26609 1 . ALA 191 191 26609 1 . VAL 192 192 26609 1 . LEU 193 193 26609 1 . CYS 194 194 26609 1 . PRO 195 195 26609 1 . GLY 196 196 26609 1 . LEU 197 197 26609 1 . SER 198 198 26609 1 . VAL 199 199 26609 1 . VAL 200 200 26609 1 . PHE 201 201 26609 1 . GLU 202 202 26609 1 . ASP 203 203 26609 1 . LYS 204 204 26609 1 . ASN 205 205 26609 1 . THR 206 206 26609 1 . GLY 207 207 26609 1 . GLU 208 208 26609 1 . ARG 209 209 26609 1 . VAL 210 210 26609 1 . GLU 211 211 26609 1 . TRP 212 212 26609 1 . HIS 213 213 26609 1 . PHE 214 214 26609 1 . GLU 215 215 26609 1 . ASP 216 216 26609 1 . GLY 217 217 26609 1 . LEU 218 218 26609 1 . GLU 219 219 26609 1 . HIS 220 220 26609 1 . HIS 221 221 26609 1 . HIS 222 222 26609 1 . HIS 223 223 26609 1 . HIS 224 224 26609 1 . HIS 225 225 26609 1 stop_ save_ save_entity_1YM _Entity.Sf_category entity _Entity.Sf_framecode entity_1YM _Entity.Entry_ID 26609 _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 26609 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 26609 2 1YM 'Three letter code' 26609 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 26609 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 26609 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Pseudomonas_aeruginosa_active_domains_of_the_type_II_topoisomerases . 287 organism . 'Pseudomonas aeruginosa' g-proteobacteria . . Bacteria . Pseudomonas aeruginosa . . . . . . . . . . . . . 26609 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 26609 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Pseudomonas_aeruginosa_active_domains_of_the_type_II_topoisomerases . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET29b . . . 26609 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 26609 _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 26609 1YM CCNC(=O)Nc1cc(c(cn1)c2cc(cnc2)C(=O)O)c3nc(cs3)C(F)(F)F SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 26609 1YM CCNC(=O)Nc1cc(c2scc(n2)C(F)(F)F)c(cn1)c3cncc(c3)C(O)=O SMILES CACTVS 3.385 26609 1YM CCNC(=O)Nc1cc(c2scc(n2)C(F)(F)F)c(cn1)c3cncc(c3)C(O)=O SMILES_CANONICAL CACTVS 3.385 26609 1YM GLNFAHNABSNEAM-UHFFFAOYSA-N InChIKey InChI 1.03 26609 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 26609 1YM O=C(O)c3cc(c1cnc(NC(=O)NCC)cc1c2nc(cs2)C(F)(F)F)cnc3 SMILES ACDLabs 12.01 26609 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 26609 1YM "6'-[(ethylcarbamoyl)amino]-4'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridine-5-carboxylic acid" 'SYSTEMATIC NAME' ACDLabs 12.01 26609 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 . 26609 1YM C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 19.051 . 32.347 . 1.960 . 7.524 0.414 -0.028 2 . 26609 1YM O5 O5 O5 O5 . O . . N 0 . . . 1 no no . . . . 17.963 . 30.525 . 3.746 . 4.998 1.264 0.382 3 . 26609 1YM N6 N6 N6 N6 . N . . N 0 . . . 1 no no . . . . 16.022 . 31.679 . 3.959 . 4.011 -0.669 -0.089 4 . 26609 1YM C7 C7 C7 C7 . C . . N 0 . . . 1 yes no . . . . 15.340 . 30.907 . 4.879 . 2.744 -0.105 0.048 5 . 26609 1YM C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . 15.768 . 29.645 . 5.299 . 1.620 -0.892 -0.160 6 . 26609 1YM C9 C9 C9 C9 . C . . N 0 . . . 1 yes no . . . . 14.959 . 28.983 . 6.247 . 0.355 -0.318 -0.020 7 . 26609 1YM C10 C10 C10 C10 . C . . N 0 . . . 1 yes no . . . . 13.782 . 29.609 . 6.753 . 0.279 1.047 0.330 8 . 26609 1YM C11 C11 C11 C11 . C . . N 0 . . . 1 yes no . . . . 13.449 . 30.870 . 6.268 . 1.459 1.759 0.519 9 . 26609 1YM C13 C13 C13 C13 . C . . N 0 . . . 1 yes no . . . . 12.840 . 28.994 . 7.716 . -1.036 1.711 0.492 10 . 26609 1YM C14 C14 C14 C14 . C . . N 0 . . . 1 yes no . . . . 12.413 . 27.672 . 7.508 . -1.266 2.970 -0.065 11 . 26609 1YM C15 C15 C15 C15 . C . . N 0 . . . 1 yes no . . . . 11.485 . 27.133 . 8.419 . -2.525 3.553 0.118 12 . 26609 1YM C16 C16 C16 C16 . C . . N 0 . . . 1 yes no . . . . 11.017 . 27.942 . 9.463 . -3.493 2.857 0.845 13 . 26609 1YM C19 C19 C19 C19 . C . . N 0 . . . 1 no no . . . . 10.989 . 25.734 . 8.310 . -2.825 4.884 -0.448 14 . 26609 1YM C22 C22 C22 C22 . C . . N 0 . . . 1 yes no . . . . 15.410 . 27.678 . 6.714 . -0.869 -1.117 -0.232 15 . 26609 1YM N23 N23 N23 N23 . N . . N 0 . . . 1 yes no . . . . 15.215 . 27.090 . 7.888 . -0.998 -2.386 0.030 16 . 26609 1YM C24 C24 C24 C24 . C . . N 0 . . . 1 yes no . . . . 15.749 . 25.918 . 8.115 . -2.164 -2.932 -0.223 17 . 26609 1YM C27 C27 C27 C27 . C . . N 0 . . . 1 no no . . . . 15.477 . 25.223 . 9.423 . -2.437 -4.391 0.037 18 . 26609 1YM N3 N3 N3 N3 . N . . N 0 . . . 1 no no . . . . 17.718 . 32.405 . 2.570 . 6.331 -0.422 -0.179 19 . 26609 1YM C4 C4 C4 C4 . C . . N 0 . . . 1 no no . . . . 17.264 . 31.479 . 3.450 . 5.109 0.100 0.050 20 . 26609 1YM N12 N12 N12 N12 . N . . N 0 . . . 1 yes no . . . . 14.238 . 31.454 . 5.384 . 2.631 1.173 0.380 21 . 26609 1YM N17 N17 N17 N17 . N . . N 0 . . . 1 yes no . . . . 11.414 . 29.193 . 9.610 . -3.233 1.670 1.354 22 . 26609 1YM C18 C18 C18 C18 . C . . N 0 . . . 1 yes no . . . . 12.287 . 29.731 . 8.777 . -2.063 1.085 1.199 23 . 26609 1YM O20 O20 O20 O20 . O . . N 0 . . . 1 no no . . . . 11.192 . 25.024 . 7.336 . -1.975 5.481 -1.079 24 . 26609 1YM O21 O21 O21 O21 . O . . N 0 . . . 1 no no . . . . 10.272 . 25.218 . 9.322 . -4.040 5.435 -0.266 25 . 26609 1YM C25 C25 C25 C25 . C . . N 0 . . . 1 yes no . . . . 16.537 . 25.322 . 7.171 . -3.095 -2.113 -0.726 26 . 26609 1YM S26 S26 S26 S26 . S . . N 0 . . . 1 yes no . . . . 16.495 . 26.553 . 5.860 . -2.392 -0.504 -0.872 27 . 26609 1YM F28 F28 F28 F28 . F . . N 0 . . . 1 no no . . . . 15.606 . 26.065 . 10.536 . -3.559 -4.515 0.865 28 . 26609 1YM F29 F29 F29 F29 . F . . N 0 . . . 1 no no . . . . 14.168 . 24.757 . 9.401 . -2.679 -5.044 -1.176 29 . 26609 1YM F30 F30 F30 F30 . F . . N 0 . . . 1 no no . . . . 16.332 . 24.121 . 9.492 . -1.329 -4.969 0.665 30 . 26609 1YM H1 H1 H1 H1 . H . . N 0 . . . 1 no no . . . . 20.364 . 33.856 . 1.129 . 8.712 -0.783 -1.369 31 . 26609 1YM H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . 18.613 . 34.180 . 0.895 . 9.659 0.206 -0.232 32 . 26609 1YM H3 H3 H3 H3 . H . . N 0 . . . 1 no no . . . . 19.362 . 34.418 . 2.510 . 8.829 -1.260 0.342 33 . 26609 1YM H4 H4 H4 H4 . H . . N 0 . . . 1 no no . . . . 19.039 . 31.716 . 1.059 . 7.583 0.781 0.997 34 . 26609 1YM H5 H5 H5 H5 . H . . N 0 . . . 1 no no . . . . 19.789 . 31.953 . 2.674 . 7.466 1.258 -0.714 35 . 26609 1YM H6 H6 H6 H6 . H . . N 0 . . . 1 no no . . . . 15.539 . 32.489 . 3.625 . 4.103 -1.615 -0.285 36 . 26609 1YM H7 H7 H7 H7 . H . . N 0 . . . 1 no no . . . . 16.674 . 29.198 . 4.917 . 1.722 -1.934 -0.427 37 . 26609 1YM H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . 12.554 . 31.367 . 6.611 . 1.414 2.804 0.786 38 . 26609 1YM H9 H9 H9 H9 . H . . N 0 . . . 1 no no . . . . 12.784 . 27.089 . 6.678 . -0.494 3.481 -0.621 39 . 26609 1YM H10 H10 H10 H10 . H . . N 0 . . . 1 no no . . . . 10.311 . 27.530 . 10.169 . -4.468 3.298 0.992 40 . 26609 1YM H11 H11 H11 H11 . H . . N 0 . . . 1 no no . . . . 17.115 . 33.164 . 2.325 . 6.419 -1.351 -0.444 41 . 26609 1YM H12 H12 H12 H12 . H . . N 0 . . . 1 no no . . . . 12.582 . 30.761 . 8.915 . -1.895 0.108 1.629 42 . 26609 1YM H13 H13 H13 H13 . H . . N 0 . . . 1 no no . . . . 10.019 . 24.327 . 9.110 . -4.189 6.307 -0.656 43 . 26609 1YM H14 H14 H14 H14 . H . . N 0 . . . 1 no no . . . . 17.047 . 24.370 . 7.203 . -4.105 -2.390 -0.992 44 . 26609 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 . 26609 1YM 2 . SING C2 N3 no N 2 . 26609 1YM 3 . SING N3 C4 no N 3 . 26609 1YM 4 . DOUB C4 O5 no N 4 . 26609 1YM 5 . SING C4 N6 no N 5 . 26609 1YM 6 . SING N6 C7 no N 6 . 26609 1YM 7 . DOUB C7 C8 yes N 7 . 26609 1YM 8 . SING C7 N12 yes N 8 . 26609 1YM 9 . SING C8 C9 yes N 9 . 26609 1YM 10 . DOUB N12 C11 yes N 10 . 26609 1YM 11 . SING S26 C22 yes N 11 . 26609 1YM 12 . SING S26 C25 yes N 12 . 26609 1YM 13 . SING C9 C22 no N 13 . 26609 1YM 14 . DOUB C9 C10 yes N 14 . 26609 1YM 15 . SING C11 C10 yes N 15 . 26609 1YM 16 . DOUB C22 N23 yes N 16 . 26609 1YM 17 . SING C10 C13 no N 17 . 26609 1YM 18 . DOUB C25 C24 yes N 18 . 26609 1YM 19 . DOUB O20 C19 no N 19 . 26609 1YM 20 . DOUB C14 C13 yes N 20 . 26609 1YM 21 . SING C14 C15 yes N 21 . 26609 1YM 22 . SING C13 C18 yes N 22 . 26609 1YM 23 . SING N23 C24 yes N 23 . 26609 1YM 24 . SING C24 C27 no N 24 . 26609 1YM 25 . SING C19 C15 no N 25 . 26609 1YM 26 . SING C19 O21 no N 26 . 26609 1YM 27 . DOUB C15 C16 yes N 27 . 26609 1YM 28 . DOUB C18 N17 yes N 28 . 26609 1YM 29 . SING F29 C27 no N 29 . 26609 1YM 30 . SING C27 F30 no N 30 . 26609 1YM 31 . SING C27 F28 no N 31 . 26609 1YM 32 . SING C16 N17 yes N 32 . 26609 1YM 33 . SING C1 H1 no N 33 . 26609 1YM 34 . SING C1 H2 no N 34 . 26609 1YM 35 . SING C1 H3 no N 35 . 26609 1YM 36 . SING C2 H4 no N 36 . 26609 1YM 37 . SING C2 H5 no N 37 . 26609 1YM 38 . SING N6 H6 no N 38 . 26609 1YM 39 . SING C8 H7 no N 39 . 26609 1YM 40 . SING C11 H8 no N 40 . 26609 1YM 41 . SING C14 H9 no N 41 . 26609 1YM 42 . SING C16 H10 no N 42 . 26609 1YM 43 . SING N3 H11 no N 43 . 26609 1YM 44 . SING C18 H12 no N 44 . 26609 1YM 45 . SING O21 H13 no N 45 . 26609 1YM 46 . SING C25 H14 no N 46 . 26609 1YM stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26609 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Pseudomonas aeruginosa active domains of the type II topoisomerases' '[U-13C; U-15N; U-2H]' . . 1 $Pseudomonas_aeruginosa_active_domains_of_the_type_II_topoisomerases . . 0.8 . . mM . . . . 26609 1 2 'bis-pyridylurea inhibitor' 'natural abundance' . . 2 $entity_1YM . . 1.0 . . mM . . . . 26609 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 26609 1 4 'potassium chloride' 'natural abundance' . . . . . . 180 . . mM . . . . 26609 1 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 26609 1 6 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 26609 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26609 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26609 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 26609 _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' 180 . mM 26609 1 pH 6.5 . pH 26609 1 pressure 1 . atm 26609 1 temperature 298 . K 26609 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 26609 _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' . . 26609 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26609 1 'Johnson, One Moon Scientific' . . 26609 1 'Keller and Wuthrich' . . 26609 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26609 1 processing 26609 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 26609 _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 26609 _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 . . . 26609 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 26609 _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 . . . . . . . . . . . . . . . . 26609 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26609 1 3 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26609 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26609 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26609 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26609 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26609 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26609 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 26609 _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 . . . . . . . . . 26609 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 26609 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 26609 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 26609 _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' . . . 26609 1 2 '3D HNCACB' . . . 26609 1 4 '3D HNCA' . . . 26609 1 6 '3D HNCO' . . . 26609 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 TYR H H 1 8.347 0.020 . 1 . . . . 4 TYR H . 26609 1 2 . 1 1 4 4 TYR C C 13 174.983 0.300 . 1 . . . . 4 TYR C . 26609 1 3 . 1 1 4 4 TYR CA C 13 57.351 0.300 . 1 . . . . 4 TYR CA . 26609 1 4 . 1 1 4 4 TYR CB C 13 38.258 0.300 . 1 . . . . 4 TYR CB . 26609 1 5 . 1 1 4 4 TYR N N 15 123.011 0.300 . 1 . . . . 4 TYR N . 26609 1 6 . 1 1 5 5 ASN H H 1 8.292 0.020 . 1 . . . . 5 ASN H . 26609 1 7 . 1 1 5 5 ASN C C 13 174.708 0.300 . 1 . . . . 5 ASN C . 26609 1 8 . 1 1 5 5 ASN CA C 13 52.288 0.300 . 1 . . . . 5 ASN CA . 26609 1 9 . 1 1 5 5 ASN CB C 13 38.188 0.300 . 1 . . . . 5 ASN CB . 26609 1 10 . 1 1 5 5 ASN N N 15 121.803 0.300 . 1 . . . . 5 ASN N . 26609 1 11 . 1 1 6 6 ALA H H 1 8.284 0.020 . 1 . . . . 6 ALA H . 26609 1 12 . 1 1 6 6 ALA C C 13 177.523 0.300 . 1 . . . . 6 ALA C . 26609 1 13 . 1 1 6 6 ALA CA C 13 52.718 0.300 . 1 . . . . 6 ALA CA . 26609 1 14 . 1 1 6 6 ALA CB C 13 18.106 0.300 . 1 . . . . 6 ALA CB . 26609 1 15 . 1 1 6 6 ALA N N 15 124.919 0.300 . 1 . . . . 6 ALA N . 26609 1 16 . 1 1 7 7 ASP H H 1 8.135 0.020 . 1 . . . . 7 ASP H . 26609 1 17 . 1 1 7 7 ASP C C 13 175.957 0.300 . 1 . . . . 7 ASP C . 26609 1 18 . 1 1 7 7 ASP CA C 13 54.210 0.300 . 1 . . . . 7 ASP CA . 26609 1 19 . 1 1 7 7 ASP CB C 13 40.332 0.300 . 1 . . . . 7 ASP CB . 26609 1 20 . 1 1 7 7 ASP N N 15 117.752 0.300 . 1 . . . . 7 ASP N . 26609 1 21 . 1 1 8 8 ALA H H 1 7.872 0.020 . 1 . . . . 8 ALA H . 26609 1 22 . 1 1 8 8 ALA C C 13 177.502 0.300 . 1 . . . . 8 ALA C . 26609 1 23 . 1 1 8 8 ALA CA C 13 52.159 0.300 . 1 . . . . 8 ALA CA . 26609 1 24 . 1 1 8 8 ALA CB C 13 18.180 0.300 . 1 . . . . 8 ALA CB . 26609 1 25 . 1 1 8 8 ALA N N 15 122.981 0.300 . 1 . . . . 8 ALA N . 26609 1 26 . 1 1 9 9 ILE H H 1 7.937 0.020 . 1 . . . . 9 ILE H . 26609 1 27 . 1 1 9 9 ILE C C 13 176.281 0.300 . 1 . . . . 9 ILE C . 26609 1 28 . 1 1 9 9 ILE CA C 13 60.831 0.300 . 1 . . . . 9 ILE CA . 26609 1 29 . 1 1 9 9 ILE CB C 13 37.591 0.300 . 1 . . . . 9 ILE CB . 26609 1 30 . 1 1 9 9 ILE N N 15 119.396 0.300 . 1 . . . . 9 ILE N . 26609 1 31 . 1 1 10 10 GLU H H 1 8.392 0.020 . 1 . . . . 10 GLU H . 26609 1 32 . 1 1 10 10 GLU C C 13 176.168 0.300 . 1 . . . . 10 GLU C . 26609 1 33 . 1 1 10 10 GLU CA C 13 56.153 0.300 . 1 . . . . 10 GLU CA . 26609 1 34 . 1 1 10 10 GLU CB C 13 29.441 0.300 . 1 . . . . 10 GLU CB . 26609 1 35 . 1 1 10 10 GLU N N 15 124.712 0.300 . 1 . . . . 10 GLU N . 26609 1 36 . 1 1 11 11 VAL H H 1 8.201 0.020 . 1 . . . . 11 VAL H . 26609 1 37 . 1 1 11 11 VAL C C 13 176.161 0.300 . 1 . . . . 11 VAL C . 26609 1 38 . 1 1 11 11 VAL CA C 13 62.146 0.300 . 1 . . . . 11 VAL CA . 26609 1 39 . 1 1 11 11 VAL CB C 13 31.516 0.300 . 1 . . . . 11 VAL CB . 26609 1 40 . 1 1 11 11 VAL N N 15 122.118 0.300 . 1 . . . . 11 VAL N . 26609 1 41 . 1 1 12 12 LEU H H 1 8.389 0.020 . 1 . . . . 12 LEU H . 26609 1 42 . 1 1 12 12 LEU C C 13 176.974 0.300 . 1 . . . . 12 LEU C . 26609 1 43 . 1 1 12 12 LEU CA C 13 54.368 0.300 . 1 . . . . 12 LEU CA . 26609 1 44 . 1 1 12 12 LEU CB C 13 41.518 0.300 . 1 . . . . 12 LEU CB . 26609 1 45 . 1 1 12 12 LEU N N 15 125.478 0.300 . 1 . . . . 12 LEU N . 26609 1 46 . 1 1 13 13 SER H H 1 8.605 0.020 . 1 . . . . 13 SER H . 26609 1 47 . 1 1 13 13 SER C C 13 175.004 0.300 . 1 . . . . 13 SER C . 26609 1 48 . 1 1 13 13 SER CA C 13 57.497 0.300 . 1 . . . . 13 SER CA . 26609 1 49 . 1 1 13 13 SER CB C 13 64.189 0.300 . 1 . . . . 13 SER CB . 26609 1 50 . 1 1 13 13 SER N N 15 116.232 0.300 . 1 . . . . 13 SER N . 26609 1 51 . 1 1 14 14 GLY H H 1 8.467 0.020 . 1 . . . . 14 GLY H . 26609 1 52 . 1 1 14 14 GLY C C 13 174.369 0.300 . 1 . . . . 14 GLY C . 26609 1 53 . 1 1 14 14 GLY CA C 13 45.888 0.300 . 1 . . . . 14 GLY CA . 26609 1 54 . 1 1 14 14 GLY N N 15 110.555 0.300 . 1 . . . . 14 GLY N . 26609 1 55 . 1 1 15 15 LEU H H 1 8.323 0.020 . 1 . . . . 15 LEU H . 26609 1 56 . 1 1 15 15 LEU C C 13 178.180 0.300 . 1 . . . . 15 LEU C . 26609 1 57 . 1 1 15 15 LEU CA C 13 53.611 0.300 . 1 . . . . 15 LEU CA . 26609 1 58 . 1 1 15 15 LEU CB C 13 39.633 0.300 . 1 . . . . 15 LEU CB . 26609 1 59 . 1 1 15 15 LEU N N 15 117.935 0.300 . 1 . . . . 15 LEU N . 26609 1 60 . 1 1 16 16 ASP H H 1 8.222 0.020 . 1 . . . . 16 ASP H . 26609 1 61 . 1 1 16 16 ASP CA C 13 58.533 0.300 . 1 . . . . 16 ASP CA . 26609 1 62 . 1 1 16 16 ASP CB C 13 39.689 0.300 . 1 . . . . 16 ASP CB . 26609 1 63 . 1 1 16 16 ASP N N 15 121.758 0.300 . 1 . . . . 16 ASP N . 26609 1 64 . 1 1 17 17 PRO C C 13 178.035 0.300 . 1 . . . . 17 PRO C . 26609 1 65 . 1 1 17 17 PRO CA C 13 65.908 0.300 . 1 . . . . 17 PRO CA . 26609 1 66 . 1 1 18 18 VAL H H 1 6.694 0.020 . 1 . . . . 18 VAL H . 26609 1 67 . 1 1 18 18 VAL C C 13 175.945 0.300 . 1 . . . . 18 VAL C . 26609 1 68 . 1 1 18 18 VAL CA C 13 62.925 0.300 . 1 . . . . 18 VAL CA . 26609 1 69 . 1 1 18 18 VAL CB C 13 30.067 0.300 . 1 . . . . 18 VAL CB . 26609 1 70 . 1 1 18 18 VAL N N 15 114.050 0.300 . 1 . . . . 18 VAL N . 26609 1 71 . 1 1 19 19 ARG H H 1 6.707 0.020 . 1 . . . . 19 ARG H . 26609 1 72 . 1 1 19 19 ARG C C 13 178.323 0.300 . 1 . . . . 19 ARG C . 26609 1 73 . 1 1 19 19 ARG CA C 13 58.421 0.300 . 1 . . . . 19 ARG CA . 26609 1 74 . 1 1 19 19 ARG CB C 13 29.367 0.300 . 1 . . . . 19 ARG CB . 26609 1 75 . 1 1 19 19 ARG N N 15 112.831 0.300 . 1 . . . . 19 ARG N . 26609 1 76 . 1 1 20 20 LYS H H 1 7.763 0.020 . 1 . . . . 20 LYS H . 26609 1 77 . 1 1 20 20 LYS C C 13 177.739 0.300 . 1 . . . . 20 LYS C . 26609 1 78 . 1 1 20 20 LYS CA C 13 57.129 0.300 . 1 . . . . 20 LYS CA . 26609 1 79 . 1 1 20 20 LYS CB C 13 32.242 0.300 . 1 . . . . 20 LYS CB . 26609 1 80 . 1 1 20 20 LYS N N 15 113.880 0.300 . 1 . . . . 20 LYS N . 26609 1 81 . 1 1 21 21 ARG H H 1 7.127 0.020 . 1 . . . . 21 ARG H . 26609 1 82 . 1 1 21 21 ARG CA C 13 53.032 0.300 . 1 . . . . 21 ARG CA . 26609 1 83 . 1 1 21 21 ARG CB C 13 29.979 0.300 . 1 . . . . 21 ARG CB . 26609 1 84 . 1 1 21 21 ARG N N 15 116.617 0.300 . 1 . . . . 21 ARG N . 26609 1 85 . 1 1 22 22 PRO C C 13 179.302 0.300 . 1 . . . . 22 PRO C . 26609 1 86 . 1 1 22 22 PRO CA C 13 65.658 0.300 . 1 . . . . 22 PRO CA . 26609 1 87 . 1 1 22 22 PRO CB C 13 30.002 0.300 . 1 . . . . 22 PRO CB . 26609 1 88 . 1 1 23 23 GLY H H 1 8.613 0.020 . 1 . . . . 23 GLY H . 26609 1 89 . 1 1 23 23 GLY C C 13 175.406 0.300 . 1 . . . . 23 GLY C . 26609 1 90 . 1 1 23 23 GLY CA C 13 45.420 0.300 . 1 . . . . 23 GLY CA . 26609 1 91 . 1 1 23 23 GLY N N 15 103.278 0.300 . 1 . . . . 23 GLY N . 26609 1 92 . 1 1 24 24 MET H H 1 7.845 0.020 . 1 . . . . 24 MET H . 26609 1 93 . 1 1 24 24 MET C C 13 175.811 0.300 . 1 . . . . 24 MET C . 26609 1 94 . 1 1 24 24 MET CA C 13 55.512 0.300 . 1 . . . . 24 MET CA . 26609 1 95 . 1 1 24 24 MET CB C 13 31.071 0.300 . 1 . . . . 24 MET CB . 26609 1 96 . 1 1 24 24 MET N N 15 116.827 0.300 . 1 . . . . 24 MET N . 26609 1 97 . 1 1 25 25 TYR H H 1 7.835 0.020 . 1 . . . . 25 TYR H . 26609 1 98 . 1 1 25 25 TYR C C 13 173.522 0.300 . 1 . . . . 25 TYR C . 26609 1 99 . 1 1 25 25 TYR CA C 13 58.677 0.300 . 1 . . . . 25 TYR CA . 26609 1 100 . 1 1 25 25 TYR CB C 13 41.108 0.300 . 1 . . . . 25 TYR CB . 26609 1 101 . 1 1 25 25 TYR N N 15 115.635 0.300 . 1 . . . . 25 TYR N . 26609 1 102 . 1 1 26 26 THR H H 1 7.989 0.020 . 1 . . . . 26 THR H . 26609 1 103 . 1 1 26 26 THR C C 13 171.855 0.300 . 1 . . . . 26 THR C . 26609 1 104 . 1 1 26 26 THR CA C 13 59.015 0.300 . 1 . . . . 26 THR CA . 26609 1 105 . 1 1 26 26 THR CB C 13 69.301 0.300 . 1 . . . . 26 THR CB . 26609 1 106 . 1 1 26 26 THR N N 15 112.812 0.300 . 1 . . . . 26 THR N . 26609 1 107 . 1 1 27 27 ASP H H 1 6.956 0.020 . 1 . . . . 27 ASP H . 26609 1 108 . 1 1 27 27 ASP C C 13 175.936 0.300 . 1 . . . . 27 ASP C . 26609 1 109 . 1 1 27 27 ASP CA C 13 52.073 0.300 . 1 . . . . 27 ASP CA . 26609 1 110 . 1 1 27 27 ASP CB C 13 41.073 0.300 . 1 . . . . 27 ASP CB . 26609 1 111 . 1 1 27 27 ASP N N 15 120.263 0.300 . 1 . . . . 27 ASP N . 26609 1 112 . 1 1 28 28 THR H H 1 8.146 0.020 . 1 . . . . 28 THR H . 26609 1 113 . 1 1 28 28 THR C C 13 175.449 0.300 . 1 . . . . 28 THR C . 26609 1 114 . 1 1 28 28 THR CA C 13 61.805 0.300 . 1 . . . . 28 THR CA . 26609 1 115 . 1 1 28 28 THR CB C 13 67.227 0.300 . 1 . . . . 28 THR CB . 26609 1 116 . 1 1 28 28 THR N N 15 112.715 0.300 . 1 . . . . 28 THR N . 26609 1 117 . 1 1 29 29 THR H H 1 8.795 0.020 . 1 . . . . 29 THR H . 26609 1 118 . 1 1 29 29 THR C C 13 175.301 0.300 . 1 . . . . 29 THR C . 26609 1 119 . 1 1 29 29 THR CA C 13 66.021 0.300 . 1 . . . . 29 THR CA . 26609 1 120 . 1 1 29 29 THR CB C 13 68.783 0.300 . 1 . . . . 29 THR CB . 26609 1 121 . 1 1 29 29 THR N N 15 117.457 0.300 . 1 . . . . 29 THR N . 26609 1 122 . 1 1 30 30 ARG H H 1 7.501 0.020 . 1 . . . . 30 ARG H . 26609 1 123 . 1 1 30 30 ARG CA C 13 53.785 0.300 . 1 . . . . 30 ARG CA . 26609 1 124 . 1 1 30 30 ARG CB C 13 29.343 0.300 . 1 . . . . 30 ARG CB . 26609 1 125 . 1 1 30 30 ARG N N 15 114.240 0.300 . 1 . . . . 30 ARG N . 26609 1 126 . 1 1 31 31 PRO C C 13 175.805 0.300 . 1 . . . . 31 PRO C . 26609 1 127 . 1 1 31 31 PRO CA C 13 63.935 0.300 . 1 . . . . 31 PRO CA . 26609 1 128 . 1 1 31 31 PRO CB C 13 28.689 0.300 . 1 . . . . 31 PRO CB . 26609 1 129 . 1 1 32 32 ASN H H 1 6.846 0.020 . 1 . . . . 32 ASN H . 26609 1 130 . 1 1 32 32 ASN C C 13 176.543 0.300 . 1 . . . . 32 ASN C . 26609 1 131 . 1 1 32 32 ASN CA C 13 59.252 0.300 . 1 . . . . 32 ASN CA . 26609 1 132 . 1 1 32 32 ASN CB C 13 37.443 0.300 . 1 . . . . 32 ASN CB . 26609 1 133 . 1 1 32 32 ASN N N 15 118.618 0.300 . 1 . . . . 32 ASN N . 26609 1 134 . 1 1 33 33 HIS H H 1 8.972 0.020 . 1 . . . . 33 HIS H . 26609 1 135 . 1 1 33 33 HIS C C 13 177.240 0.300 . 1 . . . . 33 HIS C . 26609 1 136 . 1 1 33 33 HIS CA C 13 60.854 0.300 . 1 . . . . 33 HIS CA . 26609 1 137 . 1 1 33 33 HIS CB C 13 29.145 0.300 . 1 . . . . 33 HIS CB . 26609 1 138 . 1 1 33 33 HIS N N 15 121.132 0.300 . 1 . . . . 33 HIS N . 26609 1 139 . 1 1 34 34 LEU H H 1 7.764 0.020 . 1 . . . . 34 LEU H . 26609 1 140 . 1 1 34 34 LEU C C 13 178.903 0.300 . 1 . . . . 34 LEU C . 26609 1 141 . 1 1 34 34 LEU CA C 13 57.633 0.300 . 1 . . . . 34 LEU CA . 26609 1 142 . 1 1 34 34 LEU CB C 13 40.184 0.300 . 1 . . . . 34 LEU CB . 26609 1 143 . 1 1 34 34 LEU N N 15 118.392 0.300 . 1 . . . . 34 LEU N . 26609 1 144 . 1 1 35 35 ALA H H 1 7.442 0.020 . 1 . . . . 35 ALA H . 26609 1 145 . 1 1 35 35 ALA C C 13 179.148 0.300 . 1 . . . . 35 ALA C . 26609 1 146 . 1 1 35 35 ALA CA C 13 55.001 0.300 . 1 . . . . 35 ALA CA . 26609 1 147 . 1 1 35 35 ALA CB C 13 18.100 0.300 . 1 . . . . 35 ALA CB . 26609 1 148 . 1 1 35 35 ALA N N 15 115.552 0.300 . 1 . . . . 35 ALA N . 26609 1 149 . 1 1 36 36 GLN H H 1 8.069 0.020 . 1 . . . . 36 GLN H . 26609 1 150 . 1 1 36 36 GLN C C 13 176.867 0.300 . 1 . . . . 36 GLN C . 26609 1 151 . 1 1 36 36 GLN CA C 13 59.132 0.300 . 1 . . . . 36 GLN CA . 26609 1 152 . 1 1 36 36 GLN CB C 13 27.044 0.300 . 1 . . . . 36 GLN CB . 26609 1 153 . 1 1 36 36 GLN N N 15 116.825 0.300 . 1 . . . . 36 GLN N . 26609 1 154 . 1 1 37 37 GLU H H 1 7.652 0.020 . 1 . . . . 37 GLU H . 26609 1 155 . 1 1 37 37 GLU C C 13 178.711 0.300 . 1 . . . . 37 GLU C . 26609 1 156 . 1 1 37 37 GLU CA C 13 58.572 0.300 . 1 . . . . 37 GLU CA . 26609 1 157 . 1 1 37 37 GLU CB C 13 28.182 0.300 . 1 . . . . 37 GLU CB . 26609 1 158 . 1 1 37 37 GLU N N 15 116.963 0.300 . 1 . . . . 37 GLU N . 26609 1 159 . 1 1 38 38 VAL H H 1 7.128 0.020 . 1 . . . . 38 VAL H . 26609 1 160 . 1 1 38 38 VAL C C 13 178.194 0.300 . 1 . . . . 38 VAL C . 26609 1 161 . 1 1 38 38 VAL CA C 13 65.888 0.300 . 1 . . . . 38 VAL CA . 26609 1 162 . 1 1 38 38 VAL CB C 13 31.103 0.300 . 1 . . . . 38 VAL CB . 26609 1 163 . 1 1 38 38 VAL N N 15 116.321 0.300 . 1 . . . . 38 VAL N . 26609 1 164 . 1 1 39 39 ILE H H 1 8.679 0.020 . 1 . . . . 39 ILE H . 26609 1 165 . 1 1 39 39 ILE C C 13 177.918 0.300 . 1 . . . . 39 ILE C . 26609 1 166 . 1 1 39 39 ILE CA C 13 65.169 0.300 . 1 . . . . 39 ILE CA . 26609 1 167 . 1 1 39 39 ILE CB C 13 37.795 0.300 . 1 . . . . 39 ILE CB . 26609 1 168 . 1 1 39 39 ILE N N 15 119.276 0.300 . 1 . . . . 39 ILE N . 26609 1 169 . 1 1 40 40 ASP H H 1 8.852 0.020 . 1 . . . . 40 ASP H . 26609 1 170 . 1 1 40 40 ASP C C 13 178.872 0.300 . 1 . . . . 40 ASP C . 26609 1 171 . 1 1 40 40 ASP CA C 13 57.558 0.300 . 1 . . . . 40 ASP CA . 26609 1 172 . 1 1 40 40 ASP CB C 13 38.685 0.300 . 1 . . . . 40 ASP CB . 26609 1 173 . 1 1 40 40 ASP N N 15 119.507 0.300 . 1 . . . . 40 ASP N . 26609 1 174 . 1 1 41 41 ASN H H 1 7.270 0.020 . 1 . . . . 41 ASN H . 26609 1 175 . 1 1 41 41 ASN C C 13 178.942 0.300 . 1 . . . . 41 ASN C . 26609 1 176 . 1 1 41 41 ASN CA C 13 55.933 0.300 . 1 . . . . 41 ASN CA . 26609 1 177 . 1 1 41 41 ASN CB C 13 37.893 0.300 . 1 . . . . 41 ASN CB . 26609 1 178 . 1 1 41 41 ASN N N 15 118.757 0.300 . 1 . . . . 41 ASN N . 26609 1 179 . 1 1 42 42 SER H H 1 7.562 0.020 . 1 . . . . 42 SER H . 26609 1 180 . 1 1 42 42 SER C C 13 175.877 0.300 . 1 . . . . 42 SER C . 26609 1 181 . 1 1 42 42 SER CA C 13 63.146 0.300 . 1 . . . . 42 SER CA . 26609 1 182 . 1 1 42 42 SER CB C 13 63.917 0.300 . 1 . . . . 42 SER CB . 26609 1 183 . 1 1 42 42 SER N N 15 118.025 0.300 . 1 . . . . 42 SER N . 26609 1 184 . 1 1 43 43 VAL H H 1 8.612 0.020 . 1 . . . . 43 VAL H . 26609 1 185 . 1 1 43 43 VAL C C 13 178.118 0.300 . 1 . . . . 43 VAL C . 26609 1 186 . 1 1 43 43 VAL CA C 13 65.966 0.300 . 1 . . . . 43 VAL CA . 26609 1 187 . 1 1 43 43 VAL CB C 13 29.859 0.300 . 1 . . . . 43 VAL CB . 26609 1 188 . 1 1 43 43 VAL N N 15 121.438 0.300 . 1 . . . . 43 VAL N . 26609 1 189 . 1 1 44 44 ASP H H 1 8.371 0.020 . 1 . . . . 44 ASP H . 26609 1 190 . 1 1 44 44 ASP C C 13 179.229 0.300 . 1 . . . . 44 ASP C . 26609 1 191 . 1 1 44 44 ASP CA C 13 57.537 0.300 . 1 . . . . 44 ASP CA . 26609 1 192 . 1 1 44 44 ASP CB C 13 38.780 0.300 . 1 . . . . 44 ASP CB . 26609 1 193 . 1 1 44 44 ASP N N 15 122.275 0.300 . 1 . . . . 44 ASP N . 26609 1 194 . 1 1 45 45 GLU H H 1 7.143 0.020 . 1 . . . . 45 GLU H . 26609 1 195 . 1 1 45 45 GLU C C 13 178.897 0.300 . 1 . . . . 45 GLU C . 26609 1 196 . 1 1 45 45 GLU CA C 13 57.043 0.300 . 1 . . . . 45 GLU CA . 26609 1 197 . 1 1 45 45 GLU CB C 13 28.332 0.300 . 1 . . . . 45 GLU CB . 26609 1 198 . 1 1 45 45 GLU N N 15 121.224 0.300 . 1 . . . . 45 GLU N . 26609 1 199 . 1 1 46 46 ALA H H 1 7.910 0.020 . 1 . . . . 46 ALA H . 26609 1 200 . 1 1 46 46 ALA C C 13 181.981 0.300 . 1 . . . . 46 ALA C . 26609 1 201 . 1 1 46 46 ALA CA C 13 54.320 0.300 . 1 . . . . 46 ALA CA . 26609 1 202 . 1 1 46 46 ALA CB C 13 19.909 0.300 . 1 . . . . 46 ALA CB . 26609 1 203 . 1 1 46 46 ALA N N 15 124.924 0.300 . 1 . . . . 46 ALA N . 26609 1 204 . 1 1 47 47 LEU H H 1 9.408 0.020 . 1 . . . . 47 LEU H . 26609 1 205 . 1 1 47 47 LEU C C 13 178.906 0.300 . 1 . . . . 47 LEU C . 26609 1 206 . 1 1 47 47 LEU CA C 13 57.446 0.300 . 1 . . . . 47 LEU CA . 26609 1 207 . 1 1 47 47 LEU CB C 13 40.741 0.300 . 1 . . . . 47 LEU CB . 26609 1 208 . 1 1 47 47 LEU N N 15 124.705 0.300 . 1 . . . . 47 LEU N . 26609 1 209 . 1 1 48 48 ALA H H 1 7.537 0.020 . 1 . . . . 48 ALA H . 26609 1 210 . 1 1 48 48 ALA C C 13 176.925 0.300 . 1 . . . . 48 ALA C . 26609 1 211 . 1 1 48 48 ALA CA C 13 51.888 0.300 . 1 . . . . 48 ALA CA . 26609 1 212 . 1 1 48 48 ALA CB C 13 18.153 0.300 . 1 . . . . 48 ALA CB . 26609 1 213 . 1 1 48 48 ALA N N 15 118.005 0.300 . 1 . . . . 48 ALA N . 26609 1 214 . 1 1 49 49 GLY H H 1 7.671 0.020 . 1 . . . . 49 GLY H . 26609 1 215 . 1 1 49 49 GLY C C 13 174.184 0.300 . 1 . . . . 49 GLY C . 26609 1 216 . 1 1 49 49 GLY CA C 13 44.355 0.300 . 1 . . . . 49 GLY CA . 26609 1 217 . 1 1 49 49 GLY N N 15 104.047 0.300 . 1 . . . . 49 GLY N . 26609 1 218 . 1 1 50 50 HIS H H 1 7.479 0.020 . 1 . . . . 50 HIS H . 26609 1 219 . 1 1 50 50 HIS C C 13 175.120 0.300 . 1 . . . . 50 HIS C . 26609 1 220 . 1 1 50 50 HIS CA C 13 56.715 0.300 . 1 . . . . 50 HIS CA . 26609 1 221 . 1 1 50 50 HIS CB C 13 32.505 0.300 . 1 . . . . 50 HIS CB . 26609 1 222 . 1 1 50 50 HIS N N 15 116.131 0.300 . 1 . . . . 50 HIS N . 26609 1 223 . 1 1 51 51 ALA H H 1 6.914 0.020 . 1 . . . . 51 ALA H . 26609 1 224 . 1 1 51 51 ALA C C 13 175.445 0.300 . 1 . . . . 51 ALA C . 26609 1 225 . 1 1 51 51 ALA CA C 13 50.651 0.300 . 1 . . . . 51 ALA CA . 26609 1 226 . 1 1 51 51 ALA CB C 13 19.270 0.300 . 1 . . . . 51 ALA CB . 26609 1 227 . 1 1 51 51 ALA N N 15 119.035 0.300 . 1 . . . . 51 ALA N . 26609 1 228 . 1 1 52 52 LYS H H 1 10.142 0.020 . 1 . . . . 52 LYS H . 26609 1 229 . 1 1 52 52 LYS C C 13 177.015 0.300 . 1 . . . . 52 LYS C . 26609 1 230 . 1 1 52 52 LYS CA C 13 55.799 0.300 . 1 . . . . 52 LYS CA . 26609 1 231 . 1 1 52 52 LYS CB C 13 33.190 0.300 . 1 . . . . 52 LYS CB . 26609 1 232 . 1 1 52 52 LYS N N 15 122.139 0.300 . 1 . . . . 52 LYS N . 26609 1 233 . 1 1 53 53 SER H H 1 9.347 0.020 . 1 . . . . 53 SER H . 26609 1 234 . 1 1 53 53 SER C C 13 172.708 0.300 . 1 . . . . 53 SER C . 26609 1 235 . 1 1 53 53 SER CA C 13 56.998 0.300 . 1 . . . . 53 SER CA . 26609 1 236 . 1 1 53 53 SER CB C 13 64.782 0.300 . 1 . . . . 53 SER CB . 26609 1 237 . 1 1 53 53 SER N N 15 120.118 0.300 . 1 . . . . 53 SER N . 26609 1 238 . 1 1 54 54 VAL H H 1 8.733 0.020 . 1 . . . . 54 VAL H . 26609 1 239 . 1 1 54 54 VAL C C 13 174.124 0.300 . 1 . . . . 54 VAL C . 26609 1 240 . 1 1 54 54 VAL CA C 13 60.336 0.300 . 1 . . . . 54 VAL CA . 26609 1 241 . 1 1 54 54 VAL CB C 13 34.850 0.300 . 1 . . . . 54 VAL CB . 26609 1 242 . 1 1 54 54 VAL N N 15 122.600 0.300 . 1 . . . . 54 VAL N . 26609 1 243 . 1 1 55 55 GLN H H 1 9.391 0.020 . 1 . . . . 55 GLN H . 26609 1 244 . 1 1 55 55 GLN C C 13 174.204 0.300 . 1 . . . . 55 GLN C . 26609 1 245 . 1 1 55 55 GLN CA C 13 53.272 0.300 . 1 . . . . 55 GLN CA . 26609 1 246 . 1 1 55 55 GLN CB C 13 31.374 0.300 . 1 . . . . 55 GLN CB . 26609 1 247 . 1 1 55 55 GLN N N 15 125.744 0.300 . 1 . . . . 55 GLN N . 26609 1 248 . 1 1 56 56 VAL H H 1 9.279 0.020 . 1 . . . . 56 VAL H . 26609 1 249 . 1 1 56 56 VAL C C 13 173.245 0.300 . 1 . . . . 56 VAL C . 26609 1 250 . 1 1 56 56 VAL CA C 13 60.874 0.300 . 1 . . . . 56 VAL CA . 26609 1 251 . 1 1 56 56 VAL CB C 13 32.881 0.300 . 1 . . . . 56 VAL CB . 26609 1 252 . 1 1 56 56 VAL N N 15 124.096 0.300 . 1 . . . . 56 VAL N . 26609 1 253 . 1 1 57 57 ILE H H 1 9.439 0.020 . 1 . . . . 57 ILE H . 26609 1 254 . 1 1 57 57 ILE C C 13 174.517 0.300 . 1 . . . . 57 ILE C . 26609 1 255 . 1 1 57 57 ILE CA C 13 58.882 0.300 . 1 . . . . 57 ILE CA . 26609 1 256 . 1 1 57 57 ILE CB C 13 39.888 0.300 . 1 . . . . 57 ILE CB . 26609 1 257 . 1 1 57 57 ILE N N 15 126.480 0.300 . 1 . . . . 57 ILE N . 26609 1 258 . 1 1 58 58 LEU H H 1 8.688 0.020 . 1 . . . . 58 LEU H . 26609 1 259 . 1 1 58 58 LEU C C 13 174.686 0.300 . 1 . . . . 58 LEU C . 26609 1 260 . 1 1 58 58 LEU CA C 13 53.083 0.300 . 1 . . . . 58 LEU CA . 26609 1 261 . 1 1 58 58 LEU CB C 13 42.703 0.300 . 1 . . . . 58 LEU CB . 26609 1 262 . 1 1 58 58 LEU N N 15 128.594 0.300 . 1 . . . . 58 LEU N . 26609 1 263 . 1 1 59 59 HIS H H 1 8.410 0.020 . 1 . . . . 59 HIS H . 26609 1 264 . 1 1 59 59 HIS C C 13 177.777 0.300 . 1 . . . . 59 HIS C . 26609 1 265 . 1 1 59 59 HIS CA C 13 57.345 0.300 . 1 . . . . 59 HIS CA . 26609 1 266 . 1 1 59 59 HIS CB C 13 32.998 0.300 . 1 . . . . 59 HIS CB . 26609 1 267 . 1 1 59 59 HIS N N 15 125.013 0.300 . 1 . . . . 59 HIS N . 26609 1 268 . 1 1 60 60 GLN H H 1 9.293 0.020 . 1 . . . . 60 GLN H . 26609 1 269 . 1 1 60 60 GLN C C 13 175.660 0.300 . 1 . . . . 60 GLN C . 26609 1 270 . 1 1 60 60 GLN CA C 13 57.490 0.300 . 1 . . . . 60 GLN CA . 26609 1 271 . 1 1 60 60 GLN CB C 13 27.460 0.300 . 1 . . . . 60 GLN CB . 26609 1 272 . 1 1 60 60 GLN N N 15 118.883 0.300 . 1 . . . . 60 GLN N . 26609 1 273 . 1 1 61 61 ASP H H 1 7.918 0.020 . 1 . . . . 61 ASP H . 26609 1 274 . 1 1 61 61 ASP C C 13 176.719 0.300 . 1 . . . . 61 ASP C . 26609 1 275 . 1 1 61 61 ASP CA C 13 52.137 0.300 . 1 . . . . 61 ASP CA . 26609 1 276 . 1 1 61 61 ASP CB C 13 38.628 0.300 . 1 . . . . 61 ASP CB . 26609 1 277 . 1 1 61 61 ASP N N 15 116.670 0.300 . 1 . . . . 61 ASP N . 26609 1 278 . 1 1 62 62 ASN H H 1 8.129 0.020 . 1 . . . . 62 ASN H . 26609 1 279 . 1 1 62 62 ASN C C 13 172.449 0.300 . 1 . . . . 62 ASN C . 26609 1 280 . 1 1 62 62 ASN CA C 13 55.506 0.300 . 1 . . . . 62 ASN CA . 26609 1 281 . 1 1 62 62 ASN CB C 13 37.072 0.300 . 1 . . . . 62 ASN CB . 26609 1 282 . 1 1 62 62 ASN N N 15 111.696 0.300 . 1 . . . . 62 ASN N . 26609 1 283 . 1 1 63 63 SER H H 1 7.573 0.020 . 1 . . . . 63 SER H . 26609 1 284 . 1 1 63 63 SER C C 13 171.193 0.300 . 1 . . . . 63 SER C . 26609 1 285 . 1 1 63 63 SER CA C 13 57.078 0.300 . 1 . . . . 63 SER CA . 26609 1 286 . 1 1 63 63 SER CB C 13 62.781 0.300 . 1 . . . . 63 SER CB . 26609 1 287 . 1 1 63 63 SER N N 15 112.174 0.300 . 1 . . . . 63 SER N . 26609 1 288 . 1 1 64 64 LEU H H 1 7.577 0.020 . 1 . . . . 64 LEU H . 26609 1 289 . 1 1 64 64 LEU C C 13 173.397 0.300 . 1 . . . . 64 LEU C . 26609 1 290 . 1 1 64 64 LEU CA C 13 52.179 0.300 . 1 . . . . 64 LEU CA . 26609 1 291 . 1 1 64 64 LEU CB C 13 44.805 0.300 . 1 . . . . 64 LEU CB . 26609 1 292 . 1 1 64 64 LEU N N 15 119.421 0.300 . 1 . . . . 64 LEU N . 26609 1 293 . 1 1 65 65 GLU H H 1 9.018 0.020 . 1 . . . . 65 GLU H . 26609 1 294 . 1 1 65 65 GLU C C 13 173.287 0.300 . 1 . . . . 65 GLU C . 26609 1 295 . 1 1 65 65 GLU CA C 13 53.180 0.300 . 1 . . . . 65 GLU CA . 26609 1 296 . 1 1 65 65 GLU CB C 13 33.734 0.300 . 1 . . . . 65 GLU CB . 26609 1 297 . 1 1 65 65 GLU N N 15 129.028 0.300 . 1 . . . . 65 GLU N . 26609 1 298 . 1 1 66 66 VAL H H 1 8.937 0.020 . 1 . . . . 66 VAL H . 26609 1 299 . 1 1 66 66 VAL C C 13 174.058 0.300 . 1 . . . . 66 VAL C . 26609 1 300 . 1 1 66 66 VAL CA C 13 60.499 0.300 . 1 . . . . 66 VAL CA . 26609 1 301 . 1 1 66 66 VAL CB C 13 33.293 0.300 . 1 . . . . 66 VAL CB . 26609 1 302 . 1 1 66 66 VAL N N 15 126.681 0.300 . 1 . . . . 66 VAL N . 26609 1 303 . 1 1 67 67 ILE H H 1 9.360 0.020 . 1 . . . . 67 ILE H . 26609 1 304 . 1 1 67 67 ILE C C 13 176.149 0.300 . 1 . . . . 67 ILE C . 26609 1 305 . 1 1 67 67 ILE CA C 13 59.991 0.300 . 1 . . . . 67 ILE CA . 26609 1 306 . 1 1 67 67 ILE CB C 13 41.993 0.300 . 1 . . . . 67 ILE CB . 26609 1 307 . 1 1 67 67 ILE N N 15 125.471 0.300 . 1 . . . . 67 ILE N . 26609 1 308 . 1 1 68 68 ASP H H 1 9.581 0.020 . 1 . . . . 68 ASP H . 26609 1 309 . 1 1 68 68 ASP C C 13 174.946 0.300 . 1 . . . . 68 ASP C . 26609 1 310 . 1 1 68 68 ASP CA C 13 52.447 0.300 . 1 . . . . 68 ASP CA . 26609 1 311 . 1 1 68 68 ASP CB C 13 44.333 0.300 . 1 . . . . 68 ASP CB . 26609 1 312 . 1 1 68 68 ASP N N 15 125.302 0.300 . 1 . . . . 68 ASP N . 26609 1 313 . 1 1 69 69 ASP H H 1 8.246 0.020 . 1 . . . . 69 ASP H . 26609 1 314 . 1 1 69 69 ASP C C 13 177.529 0.300 . 1 . . . . 69 ASP C . 26609 1 315 . 1 1 69 69 ASP CA C 13 52.219 0.300 . 1 . . . . 69 ASP CA . 26609 1 316 . 1 1 69 69 ASP CB C 13 39.283 0.300 . 1 . . . . 69 ASP CB . 26609 1 317 . 1 1 69 69 ASP N N 15 119.847 0.300 . 1 . . . . 69 ASP N . 26609 1 318 . 1 1 70 70 GLY H H 1 9.307 0.020 . 1 . . . . 70 GLY H . 26609 1 319 . 1 1 70 70 GLY C C 13 173.965 0.300 . 1 . . . . 70 GLY C . 26609 1 320 . 1 1 70 70 GLY CA C 13 43.882 0.300 . 1 . . . . 70 GLY CA . 26609 1 321 . 1 1 70 70 GLY N N 15 105.448 0.300 . 1 . . . . 70 GLY N . 26609 1 322 . 1 1 71 71 ARG H H 1 9.467 0.020 . 1 . . . . 71 ARG H . 26609 1 323 . 1 1 71 71 ARG C C 13 177.768 0.300 . 1 . . . . 71 ARG C . 26609 1 324 . 1 1 71 71 ARG CA C 13 58.492 0.300 . 1 . . . . 71 ARG CA . 26609 1 325 . 1 1 71 71 ARG CB C 13 31.822 0.300 . 1 . . . . 71 ARG CB . 26609 1 326 . 1 1 71 71 ARG N N 15 117.750 0.300 . 1 . . . . 71 ARG N . 26609 1 327 . 1 1 72 72 GLY H H 1 8.488 0.020 . 1 . . . . 72 GLY H . 26609 1 328 . 1 1 72 72 GLY C C 13 173.117 0.300 . 1 . . . . 72 GLY C . 26609 1 329 . 1 1 72 72 GLY CA C 13 42.945 0.300 . 1 . . . . 72 GLY CA . 26609 1 330 . 1 1 72 72 GLY N N 15 104.107 0.300 . 1 . . . . 72 GLY N . 26609 1 331 . 1 1 73 73 MET H H 1 6.657 0.020 . 1 . . . . 73 MET H . 26609 1 332 . 1 1 73 73 MET CA C 13 54.653 0.300 . 1 . . . . 73 MET CA . 26609 1 333 . 1 1 73 73 MET CB C 13 32.627 0.300 . 1 . . . . 73 MET CB . 26609 1 334 . 1 1 73 73 MET N N 15 124.287 0.300 . 1 . . . . 73 MET N . 26609 1 335 . 1 1 74 74 PRO C C 13 176.289 0.300 . 1 . . . . 74 PRO C . 26609 1 336 . 1 1 74 74 PRO CA C 13 63.524 0.300 . 1 . . . . 74 PRO CA . 26609 1 337 . 1 1 74 74 PRO CB C 13 30.905 0.300 . 1 . . . . 74 PRO CB . 26609 1 338 . 1 1 75 75 VAL H H 1 7.715 0.020 . 1 . . . . 75 VAL H . 26609 1 339 . 1 1 75 75 VAL C C 13 175.294 0.300 . 1 . . . . 75 VAL C . 26609 1 340 . 1 1 75 75 VAL CA C 13 59.599 0.300 . 1 . . . . 75 VAL CA . 26609 1 341 . 1 1 75 75 VAL CB C 13 31.168 0.300 . 1 . . . . 75 VAL CB . 26609 1 342 . 1 1 75 75 VAL N N 15 111.471 0.300 . 1 . . . . 75 VAL N . 26609 1 343 . 1 1 76 76 ASP H H 1 7.811 0.020 . 1 . . . . 76 ASP H . 26609 1 344 . 1 1 76 76 ASP C C 13 176.317 0.300 . 1 . . . . 76 ASP C . 26609 1 345 . 1 1 76 76 ASP CA C 13 53.389 0.300 . 1 . . . . 76 ASP CA . 26609 1 346 . 1 1 76 76 ASP CB C 13 40.318 0.300 . 1 . . . . 76 ASP CB . 26609 1 347 . 1 1 76 76 ASP N N 15 120.009 0.300 . 1 . . . . 76 ASP N . 26609 1 348 . 1 1 77 77 ILE H H 1 8.578 0.020 . 1 . . . . 77 ILE H . 26609 1 349 . 1 1 77 77 ILE C C 13 176.228 0.300 . 1 . . . . 77 ILE C . 26609 1 350 . 1 1 77 77 ILE CA C 13 59.867 0.300 . 1 . . . . 77 ILE CA . 26609 1 351 . 1 1 77 77 ILE CB C 13 35.508 0.300 . 1 . . . . 77 ILE CB . 26609 1 352 . 1 1 77 77 ILE N N 15 122.084 0.300 . 1 . . . . 77 ILE N . 26609 1 353 . 1 1 78 78 HIS H H 1 8.627 0.020 . 1 . . . . 78 HIS H . 26609 1 354 . 1 1 78 78 HIS CA C 13 55.196 0.300 . 1 . . . . 78 HIS CA . 26609 1 355 . 1 1 78 78 HIS CB C 13 31.182 0.300 . 1 . . . . 78 HIS CB . 26609 1 356 . 1 1 78 78 HIS N N 15 132.568 0.300 . 1 . . . . 78 HIS N . 26609 1 357 . 1 1 79 79 PRO C C 13 177.668 0.300 . 1 . . . . 79 PRO C . 26609 1 358 . 1 1 79 79 PRO CA C 13 64.574 0.300 . 1 . . . . 79 PRO CA . 26609 1 359 . 1 1 79 79 PRO CB C 13 30.983 0.300 . 1 . . . . 79 PRO CB . 26609 1 360 . 1 1 80 80 GLU H H 1 8.713 0.020 . 1 . . . . 80 GLU H . 26609 1 361 . 1 1 80 80 GLU C C 13 178.062 0.300 . 1 . . . . 80 GLU C . 26609 1 362 . 1 1 80 80 GLU CA C 13 57.631 0.300 . 1 . . . . 80 GLU CA . 26609 1 363 . 1 1 80 80 GLU CB C 13 30.021 0.300 . 1 . . . . 80 GLU CB . 26609 1 364 . 1 1 80 80 GLU N N 15 116.649 0.300 . 1 . . . . 80 GLU N . 26609 1 365 . 1 1 81 81 GLU H H 1 8.981 0.020 . 1 . . . . 81 GLU H . 26609 1 366 . 1 1 81 81 GLU C C 13 178.567 0.300 . 1 . . . . 81 GLU C . 26609 1 367 . 1 1 81 81 GLU CA C 13 56.540 0.300 . 1 . . . . 81 GLU CA . 26609 1 368 . 1 1 81 81 GLU CB C 13 29.676 0.300 . 1 . . . . 81 GLU CB . 26609 1 369 . 1 1 81 81 GLU N N 15 117.702 0.300 . 1 . . . . 81 GLU N . 26609 1 370 . 1 1 82 82 GLY H H 1 8.424 0.020 . 1 . . . . 82 GLY H . 26609 1 371 . 1 1 82 82 GLY C C 13 173.369 0.300 . 1 . . . . 82 GLY C . 26609 1 372 . 1 1 82 82 GLY CA C 13 46.199 0.300 . 1 . . . . 82 GLY CA . 26609 1 373 . 1 1 82 82 GLY N N 15 104.910 0.300 . 1 . . . . 82 GLY N . 26609 1 374 . 1 1 83 83 VAL H H 1 6.738 0.020 . 1 . . . . 83 VAL H . 26609 1 375 . 1 1 83 83 VAL CA C 13 56.915 0.300 . 1 . . . . 83 VAL CA . 26609 1 376 . 1 1 83 83 VAL CB C 13 31.869 0.300 . 1 . . . . 83 VAL CB . 26609 1 377 . 1 1 83 83 VAL N N 15 109.343 0.300 . 1 . . . . 83 VAL N . 26609 1 378 . 1 1 84 84 PRO C C 13 178.337 0.300 . 1 . . . . 84 PRO C . 26609 1 379 . 1 1 84 84 PRO CA C 13 62.099 0.300 . 1 . . . . 84 PRO CA . 26609 1 380 . 1 1 84 84 PRO CB C 13 31.812 0.300 . 1 . . . . 84 PRO CB . 26609 1 381 . 1 1 85 85 GLY H H 1 7.790 0.020 . 1 . . . . 85 GLY H . 26609 1 382 . 1 1 85 85 GLY C C 13 175.700 0.300 . 1 . . . . 85 GLY C . 26609 1 383 . 1 1 85 85 GLY CA C 13 48.509 0.300 . 1 . . . . 85 GLY CA . 26609 1 384 . 1 1 85 85 GLY N N 15 110.129 0.300 . 1 . . . . 85 GLY N . 26609 1 385 . 1 1 86 86 VAL H H 1 7.313 0.020 . 1 . . . . 86 VAL H . 26609 1 386 . 1 1 86 86 VAL C C 13 174.901 0.300 . 1 . . . . 86 VAL C . 26609 1 387 . 1 1 86 86 VAL CA C 13 64.026 0.300 . 1 . . . . 86 VAL CA . 26609 1 388 . 1 1 86 86 VAL CB C 13 31.638 0.300 . 1 . . . . 86 VAL CB . 26609 1 389 . 1 1 86 86 VAL N N 15 115.231 0.300 . 1 . . . . 86 VAL N . 26609 1 390 . 1 1 87 87 GLU H H 1 6.734 0.020 . 1 . . . . 87 GLU H . 26609 1 391 . 1 1 87 87 GLU C C 13 179.198 0.300 . 1 . . . . 87 GLU C . 26609 1 392 . 1 1 87 87 GLU CA C 13 59.352 0.300 . 1 . . . . 87 GLU CA . 26609 1 393 . 1 1 87 87 GLU CB C 13 29.619 0.300 . 1 . . . . 87 GLU CB . 26609 1 394 . 1 1 87 87 GLU N N 15 117.657 0.300 . 1 . . . . 87 GLU N . 26609 1 395 . 1 1 88 88 LEU H H 1 7.683 0.020 . 1 . . . . 88 LEU H . 26609 1 396 . 1 1 88 88 LEU C C 13 178.029 0.300 . 1 . . . . 88 LEU C . 26609 1 397 . 1 1 88 88 LEU CA C 13 57.717 0.300 . 1 . . . . 88 LEU CA . 26609 1 398 . 1 1 88 88 LEU CB C 13 41.031 0.300 . 1 . . . . 88 LEU CB . 26609 1 399 . 1 1 88 88 LEU N N 15 121.897 0.300 . 1 . . . . 88 LEU N . 26609 1 400 . 1 1 89 89 ILE H H 1 8.033 0.020 . 1 . . . . 89 ILE H . 26609 1 401 . 1 1 89 89 ILE C C 13 176.718 0.300 . 1 . . . . 89 ILE C . 26609 1 402 . 1 1 89 89 ILE CA C 13 63.187 0.300 . 1 . . . . 89 ILE CA . 26609 1 403 . 1 1 89 89 ILE N N 15 115.943 0.300 . 1 . . . . 89 ILE N . 26609 1 404 . 1 1 90 90 LEU H H 1 7.052 0.020 . 1 . . . . 90 LEU H . 26609 1 405 . 1 1 90 90 LEU C C 13 177.930 0.300 . 1 . . . . 90 LEU C . 26609 1 406 . 1 1 90 90 LEU CA C 13 54.716 0.300 . 1 . . . . 90 LEU CA . 26609 1 407 . 1 1 90 90 LEU CB C 13 39.944 0.300 . 1 . . . . 90 LEU CB . 26609 1 408 . 1 1 90 90 LEU N N 15 115.887 0.300 . 1 . . . . 90 LEU N . 26609 1 409 . 1 1 91 91 THR H H 1 7.365 0.020 . 1 . . . . 91 THR H . 26609 1 410 . 1 1 91 91 THR C C 13 173.230 0.300 . 1 . . . . 91 THR C . 26609 1 411 . 1 1 91 91 THR CA C 13 61.685 0.300 . 1 . . . . 91 THR CA . 26609 1 412 . 1 1 91 91 THR CB C 13 70.647 0.300 . 1 . . . . 91 THR CB . 26609 1 413 . 1 1 91 91 THR N N 15 104.913 0.300 . 1 . . . . 91 THR N . 26609 1 414 . 1 1 92 92 LYS H H 1 7.416 0.020 . 1 . . . . 92 LYS H . 26609 1 415 . 1 1 92 92 LYS C C 13 179.841 0.300 . 1 . . . . 92 LYS C . 26609 1 416 . 1 1 92 92 LYS CA C 13 54.056 0.300 . 1 . . . . 92 LYS CA . 26609 1 417 . 1 1 92 92 LYS CB C 13 33.035 0.300 . 1 . . . . 92 LYS CB . 26609 1 418 . 1 1 92 92 LYS N N 15 120.456 0.300 . 1 . . . . 92 LYS N . 26609 1 419 . 1 1 93 93 LEU H H 1 7.585 0.020 . 1 . . . . 93 LEU H . 26609 1 420 . 1 1 93 93 LEU CA C 13 57.610 0.300 . 1 . . . . 93 LEU CA . 26609 1 421 . 1 1 93 93 LEU CB C 13 40.917 0.300 . 1 . . . . 93 LEU CB . 26609 1 422 . 1 1 93 93 LEU N N 15 121.590 0.300 . 1 . . . . 93 LEU N . 26609 1 423 . 1 1 94 94 HIS C C 13 175.432 0.300 . 1 . . . . 94 HIS C . 26609 1 424 . 1 1 94 94 HIS CA C 13 55.690 0.300 . 1 . . . . 94 HIS CA . 26609 1 425 . 1 1 95 95 ALA H H 1 8.112 0.020 . 1 . . . . 95 ALA H . 26609 1 426 . 1 1 95 95 ALA C C 13 178.133 0.300 . 1 . . . . 95 ALA C . 26609 1 427 . 1 1 95 95 ALA CA C 13 52.703 0.300 . 1 . . . . 95 ALA CA . 26609 1 428 . 1 1 95 95 ALA CB C 13 18.503 0.300 . 1 . . . . 95 ALA CB . 26609 1 429 . 1 1 95 95 ALA N N 15 123.920 0.300 . 1 . . . . 95 ALA N . 26609 1 430 . 1 1 96 96 GLY H H 1 8.522 0.020 . 1 . . . . 96 GLY H . 26609 1 431 . 1 1 96 96 GLY C C 13 174.891 0.300 . 1 . . . . 96 GLY C . 26609 1 432 . 1 1 96 96 GLY CA C 13 45.062 0.300 . 1 . . . . 96 GLY CA . 26609 1 433 . 1 1 96 96 GLY N N 15 107.145 0.300 . 1 . . . . 96 GLY N . 26609 1 434 . 1 1 97 97 GLY H H 1 8.148 0.020 . 1 . . . . 97 GLY H . 26609 1 435 . 1 1 97 97 GLY C C 13 174.577 0.300 . 1 . . . . 97 GLY C . 26609 1 436 . 1 1 97 97 GLY CA C 13 45.108 0.300 . 1 . . . . 97 GLY CA . 26609 1 437 . 1 1 97 97 GLY N N 15 107.812 0.300 . 1 . . . . 97 GLY N . 26609 1 438 . 1 1 98 98 LYS H H 1 8.101 0.020 . 1 . . . . 98 LYS H . 26609 1 439 . 1 1 98 98 LYS C C 13 176.345 0.300 . 1 . . . . 98 LYS C . 26609 1 440 . 1 1 98 98 LYS CA C 13 56.143 0.300 . 1 . . . . 98 LYS CA . 26609 1 441 . 1 1 98 98 LYS CB C 13 31.449 0.300 . 1 . . . . 98 LYS CB . 26609 1 442 . 1 1 98 98 LYS N N 15 119.998 0.300 . 1 . . . . 98 LYS N . 26609 1 443 . 1 1 99 99 PHE H H 1 8.144 0.020 . 1 . . . . 99 PHE H . 26609 1 444 . 1 1 99 99 PHE C C 13 175.660 0.300 . 1 . . . . 99 PHE C . 26609 1 445 . 1 1 99 99 PHE CA C 13 57.346 0.300 . 1 . . . . 99 PHE CA . 26609 1 446 . 1 1 99 99 PHE CB C 13 38.406 0.300 . 1 . . . . 99 PHE CB . 26609 1 447 . 1 1 99 99 PHE N N 15 119.270 0.300 . 1 . . . . 99 PHE N . 26609 1 448 . 1 1 100 100 SER H H 1 8.036 0.020 . 1 . . . . 100 SER H . 26609 1 449 . 1 1 100 100 SER CA C 13 58.060 0.300 . 1 . . . . 100 SER CA . 26609 1 450 . 1 1 100 100 SER CB C 13 63.374 0.300 . 1 . . . . 100 SER CB . 26609 1 451 . 1 1 100 100 SER N N 15 115.991 0.300 . 1 . . . . 100 SER N . 26609 1 452 . 1 1 102 102 LYS C C 13 176.255 0.300 . 1 . . . . 102 LYS C . 26609 1 453 . 1 1 102 102 LYS CA C 13 56.394 0.300 . 1 . . . . 102 LYS CA . 26609 1 454 . 1 1 102 102 LYS CB C 13 31.526 0.300 . 1 . . . . 102 LYS CB . 26609 1 455 . 1 1 103 103 ASN H H 1 8.293 0.020 . 1 . . . . 103 ASN H . 26609 1 456 . 1 1 103 103 ASN C C 13 174.983 0.300 . 1 . . . . 103 ASN C . 26609 1 457 . 1 1 103 103 ASN CA C 13 53.116 0.300 . 1 . . . . 103 ASN CA . 26609 1 458 . 1 1 103 103 ASN CB C 13 38.179 0.300 . 1 . . . . 103 ASN CB . 26609 1 459 . 1 1 103 103 ASN N N 15 117.868 0.300 . 1 . . . . 103 ASN N . 26609 1 460 . 1 1 104 104 TYR H H 1 7.945 0.020 . 1 . . . . 104 TYR H . 26609 1 461 . 1 1 104 104 TYR C C 13 175.578 0.300 . 1 . . . . 104 TYR C . 26609 1 462 . 1 1 104 104 TYR CA C 13 57.859 0.300 . 1 . . . . 104 TYR CA . 26609 1 463 . 1 1 104 104 TYR CB C 13 37.739 0.300 . 1 . . . . 104 TYR CB . 26609 1 464 . 1 1 104 104 TYR N N 15 120.046 0.300 . 1 . . . . 104 TYR N . 26609 1 465 . 1 1 105 105 GLN H H 1 8.080 0.020 . 1 . . . . 105 GLN H . 26609 1 466 . 1 1 105 105 GLN C C 13 175.495 0.300 . 1 . . . . 105 GLN C . 26609 1 467 . 1 1 105 105 GLN CA C 13 55.591 0.300 . 1 . . . . 105 GLN CA . 26609 1 468 . 1 1 105 105 GLN CB C 13 28.404 0.300 . 1 . . . . 105 GLN CB . 26609 1 469 . 1 1 105 105 GLN N N 15 121.013 0.300 . 1 . . . . 105 GLN N . 26609 1 470 . 1 1 106 106 PHE H H 1 8.036 0.020 . 1 . . . . 106 PHE H . 26609 1 471 . 1 1 106 106 PHE CA C 13 57.568 0.300 . 1 . . . . 106 PHE CA . 26609 1 472 . 1 1 106 106 PHE CB C 13 38.628 0.300 . 1 . . . . 106 PHE CB . 26609 1 473 . 1 1 106 106 PHE N N 15 120.350 0.300 . 1 . . . . 106 PHE N . 26609 1 474 . 1 1 107 107 SER C C 13 174.897 0.300 . 1 . . . . 107 SER C . 26609 1 475 . 1 1 107 107 SER CA C 13 58.027 0.300 . 1 . . . . 107 SER CA . 26609 1 476 . 1 1 107 107 SER CB C 13 63.185 0.300 . 1 . . . . 107 SER CB . 26609 1 477 . 1 1 108 108 GLY H H 1 7.944 0.020 . 1 . . . . 108 GLY H . 26609 1 478 . 1 1 108 108 GLY C C 13 174.346 0.300 . 1 . . . . 108 GLY C . 26609 1 479 . 1 1 108 108 GLY CA C 13 45.101 0.300 . 1 . . . . 108 GLY CA . 26609 1 480 . 1 1 108 108 GLY N N 15 109.941 0.300 . 1 . . . . 108 GLY N . 26609 1 481 . 1 1 109 109 GLY H H 1 8.089 0.020 . 1 . . . . 109 GLY H . 26609 1 482 . 1 1 109 109 GLY C C 13 173.691 0.300 . 1 . . . . 109 GLY C . 26609 1 483 . 1 1 109 109 GLY CA C 13 44.661 0.300 . 1 . . . . 109 GLY CA . 26609 1 484 . 1 1 109 109 GLY N N 15 108.173 0.300 . 1 . . . . 109 GLY N . 26609 1 485 . 1 1 110 110 LEU H H 1 8.016 0.020 . 1 . . . . 110 LEU H . 26609 1 486 . 1 1 110 110 LEU CA C 13 54.695 0.300 . 1 . . . . 110 LEU CA . 26609 1 487 . 1 1 110 110 LEU CB C 13 41.108 0.300 . 1 . . . . 110 LEU CB . 26609 1 488 . 1 1 110 110 LEU N N 15 120.861 0.300 . 1 . . . . 110 LEU N . 26609 1 489 . 1 1 111 111 HIS C C 13 177.569 0.300 . 1 . . . . 111 HIS C . 26609 1 490 . 1 1 111 111 HIS CA C 13 55.948 0.300 . 1 . . . . 111 HIS CA . 26609 1 491 . 1 1 111 111 HIS CB C 13 29.274 0.300 . 1 . . . . 111 HIS CB . 26609 1 492 . 1 1 112 112 GLY H H 1 8.475 0.020 . 1 . . . . 112 GLY H . 26609 1 493 . 1 1 112 112 GLY C C 13 174.820 0.300 . 1 . . . . 112 GLY C . 26609 1 494 . 1 1 112 112 GLY CA C 13 44.902 0.300 . 1 . . . . 112 GLY CA . 26609 1 495 . 1 1 112 112 GLY N N 15 109.206 0.300 . 1 . . . . 112 GLY N . 26609 1 496 . 1 1 113 113 VAL H H 1 8.369 0.020 . 1 . . . . 113 VAL H . 26609 1 497 . 1 1 113 113 VAL C C 13 176.507 0.300 . 1 . . . . 113 VAL C . 26609 1 498 . 1 1 113 113 VAL CA C 13 62.511 0.300 . 1 . . . . 113 VAL CA . 26609 1 499 . 1 1 113 113 VAL CB C 13 31.948 0.300 . 1 . . . . 113 VAL CB . 26609 1 500 . 1 1 113 113 VAL N N 15 117.302 0.300 . 1 . . . . 113 VAL N . 26609 1 501 . 1 1 114 114 GLY H H 1 8.403 0.020 . 1 . . . . 114 GLY H . 26609 1 502 . 1 1 114 114 GLY C C 13 175.033 0.300 . 1 . . . . 114 GLY C . 26609 1 503 . 1 1 114 114 GLY CA C 13 44.499 0.300 . 1 . . . . 114 GLY CA . 26609 1 504 . 1 1 114 114 GLY N N 15 109.620 0.300 . 1 . . . . 114 GLY N . 26609 1 505 . 1 1 115 115 ILE H H 1 8.359 0.020 . 1 . . . . 115 ILE H . 26609 1 506 . 1 1 115 115 ILE C C 13 176.299 0.300 . 1 . . . . 115 ILE C . 26609 1 507 . 1 1 115 115 ILE CA C 13 63.482 0.300 . 1 . . . . 115 ILE CA . 26609 1 508 . 1 1 115 115 ILE CB C 13 35.346 0.300 . 1 . . . . 115 ILE CB . 26609 1 509 . 1 1 115 115 ILE N N 15 115.558 0.300 . 1 . . . . 115 ILE N . 26609 1 510 . 1 1 116 116 SER H H 1 8.280 0.020 . 1 . . . . 116 SER H . 26609 1 511 . 1 1 116 116 SER C C 13 176.782 0.300 . 1 . . . . 116 SER C . 26609 1 512 . 1 1 116 116 SER CA C 13 60.609 0.300 . 1 . . . . 116 SER CA . 26609 1 513 . 1 1 116 116 SER N N 15 119.372 0.300 . 1 . . . . 116 SER N . 26609 1 514 . 1 1 117 117 VAL H H 1 7.165 0.020 . 1 . . . . 117 VAL H . 26609 1 515 . 1 1 117 117 VAL C C 13 175.945 0.300 . 1 . . . . 117 VAL C . 26609 1 516 . 1 1 117 117 VAL CA C 13 65.629 0.300 . 1 . . . . 117 VAL CA . 26609 1 517 . 1 1 117 117 VAL CB C 13 30.635 0.300 . 1 . . . . 117 VAL CB . 26609 1 518 . 1 1 117 117 VAL N N 15 121.655 0.300 . 1 . . . . 117 VAL N . 26609 1 519 . 1 1 118 118 VAL H H 1 6.695 0.020 . 1 . . . . 118 VAL H . 26609 1 520 . 1 1 118 118 VAL C C 13 178.074 0.300 . 1 . . . . 118 VAL C . 26609 1 521 . 1 1 118 118 VAL CA C 13 64.641 0.300 . 1 . . . . 118 VAL CA . 26609 1 522 . 1 1 118 118 VAL CB C 13 29.464 0.300 . 1 . . . . 118 VAL CB . 26609 1 523 . 1 1 118 118 VAL N N 15 116.455 0.300 . 1 . . . . 118 VAL N . 26609 1 524 . 1 1 119 119 ASN H H 1 7.059 0.020 . 1 . . . . 119 ASN H . 26609 1 525 . 1 1 119 119 ASN C C 13 175.744 0.300 . 1 . . . . 119 ASN C . 26609 1 526 . 1 1 119 119 ASN CA C 13 54.729 0.300 . 1 . . . . 119 ASN CA . 26609 1 527 . 1 1 119 119 ASN CB C 13 37.969 0.300 . 1 . . . . 119 ASN CB . 26609 1 528 . 1 1 119 119 ASN N N 15 115.806 0.300 . 1 . . . . 119 ASN N . 26609 1 529 . 1 1 120 120 ALA H H 1 7.872 0.020 . 1 . . . . 120 ALA H . 26609 1 530 . 1 1 120 120 ALA C C 13 176.687 0.300 . 1 . . . . 120 ALA C . 26609 1 531 . 1 1 120 120 ALA CA C 13 54.178 0.300 . 1 . . . . 120 ALA CA . 26609 1 532 . 1 1 120 120 ALA CB C 13 18.441 0.300 . 1 . . . . 120 ALA CB . 26609 1 533 . 1 1 120 120 ALA N N 15 115.452 0.300 . 1 . . . . 120 ALA N . 26609 1 534 . 1 1 121 121 LEU H H 1 6.709 0.020 . 1 . . . . 121 LEU H . 26609 1 535 . 1 1 121 121 LEU C C 13 175.171 0.300 . 1 . . . . 121 LEU C . 26609 1 536 . 1 1 121 121 LEU CA C 13 52.644 0.300 . 1 . . . . 121 LEU CA . 26609 1 537 . 1 1 121 121 LEU CB C 13 39.723 0.300 . 1 . . . . 121 LEU CB . 26609 1 538 . 1 1 121 121 LEU N N 15 110.584 0.300 . 1 . . . . 121 LEU N . 26609 1 539 . 1 1 122 122 SER H H 1 7.354 0.020 . 1 . . . . 122 SER H . 26609 1 540 . 1 1 122 122 SER C C 13 175.195 0.300 . 1 . . . . 122 SER C . 26609 1 541 . 1 1 122 122 SER CA C 13 59.383 0.300 . 1 . . . . 122 SER CA . 26609 1 542 . 1 1 122 122 SER CB C 13 65.597 0.300 . 1 . . . . 122 SER CB . 26609 1 543 . 1 1 122 122 SER N N 15 114.448 0.300 . 1 . . . . 122 SER N . 26609 1 544 . 1 1 123 123 THR H H 1 8.957 0.020 . 1 . . . . 123 THR H . 26609 1 545 . 1 1 123 123 THR C C 13 176.952 0.300 . 1 . . . . 123 THR C . 26609 1 546 . 1 1 123 123 THR CA C 13 63.925 0.300 . 1 . . . . 123 THR CA . 26609 1 547 . 1 1 123 123 THR CB C 13 68.264 0.300 . 1 . . . . 123 THR CB . 26609 1 548 . 1 1 123 123 THR N N 15 116.545 0.300 . 1 . . . . 123 THR N . 26609 1 549 . 1 1 124 124 ARG H H 1 7.434 0.020 . 1 . . . . 124 ARG H . 26609 1 550 . 1 1 124 124 ARG C C 13 174.919 0.300 . 1 . . . . 124 ARG C . 26609 1 551 . 1 1 124 124 ARG CA C 13 55.156 0.300 . 1 . . . . 124 ARG CA . 26609 1 552 . 1 1 124 124 ARG CB C 13 32.830 0.300 . 1 . . . . 124 ARG CB . 26609 1 553 . 1 1 124 124 ARG N N 15 119.736 0.300 . 1 . . . . 124 ARG N . 26609 1 554 . 1 1 125 125 VAL H H 1 8.398 0.020 . 1 . . . . 125 VAL H . 26609 1 555 . 1 1 125 125 VAL C C 13 174.552 0.300 . 1 . . . . 125 VAL C . 26609 1 556 . 1 1 125 125 VAL CA C 13 61.718 0.300 . 1 . . . . 125 VAL CA . 26609 1 557 . 1 1 125 125 VAL CB C 13 35.489 0.300 . 1 . . . . 125 VAL CB . 26609 1 558 . 1 1 125 125 VAL N N 15 122.585 0.300 . 1 . . . . 125 VAL N . 26609 1 559 . 1 1 126 126 GLU H H 1 9.874 0.020 . 1 . . . . 126 GLU H . 26609 1 560 . 1 1 126 126 GLU C C 13 175.056 0.300 . 1 . . . . 126 GLU C . 26609 1 561 . 1 1 126 126 GLU CA C 13 55.061 0.300 . 1 . . . . 126 GLU CA . 26609 1 562 . 1 1 126 126 GLU CB C 13 32.405 0.300 . 1 . . . . 126 GLU CB . 26609 1 563 . 1 1 126 126 GLU N N 15 126.209 0.300 . 1 . . . . 126 GLU N . 26609 1 564 . 1 1 127 127 VAL H H 1 9.159 0.020 . 1 . . . . 127 VAL H . 26609 1 565 . 1 1 127 127 VAL C C 13 174.298 0.300 . 1 . . . . 127 VAL C . 26609 1 566 . 1 1 127 127 VAL CA C 13 60.205 0.300 . 1 . . . . 127 VAL CA . 26609 1 567 . 1 1 127 127 VAL CB C 13 33.664 0.300 . 1 . . . . 127 VAL CB . 26609 1 568 . 1 1 127 127 VAL N N 15 128.364 0.300 . 1 . . . . 127 VAL N . 26609 1 569 . 1 1 128 128 ARG H H 1 9.207 0.020 . 1 . . . . 128 ARG H . 26609 1 570 . 1 1 128 128 ARG C C 13 175.976 0.300 . 1 . . . . 128 ARG C . 26609 1 571 . 1 1 128 128 ARG CA C 13 53.793 0.300 . 1 . . . . 128 ARG CA . 26609 1 572 . 1 1 128 128 ARG CB C 13 33.072 0.300 . 1 . . . . 128 ARG CB . 26609 1 573 . 1 1 128 128 ARG N N 15 124.749 0.300 . 1 . . . . 128 ARG N . 26609 1 574 . 1 1 129 129 VAL H H 1 9.032 0.020 . 1 . . . . 129 VAL H . 26609 1 575 . 1 1 129 129 VAL C C 13 174.202 0.300 . 1 . . . . 129 VAL C . 26609 1 576 . 1 1 129 129 VAL CA C 13 60.479 0.300 . 1 . . . . 129 VAL CA . 26609 1 577 . 1 1 129 129 VAL CB C 13 35.961 0.300 . 1 . . . . 129 VAL CB . 26609 1 578 . 1 1 129 129 VAL N N 15 123.625 0.300 . 1 . . . . 129 VAL N . 26609 1 579 . 1 1 130 130 LYS H H 1 9.377 0.020 . 1 . . . . 130 LYS H . 26609 1 580 . 1 1 130 130 LYS C C 13 175.035 0.300 . 1 . . . . 130 LYS C . 26609 1 581 . 1 1 130 130 LYS CA C 13 54.650 0.300 . 1 . . . . 130 LYS CA . 26609 1 582 . 1 1 130 130 LYS CB C 13 31.812 0.300 . 1 . . . . 130 LYS CB . 26609 1 583 . 1 1 130 130 LYS N N 15 128.688 0.300 . 1 . . . . 130 LYS N . 26609 1 584 . 1 1 131 131 ARG H H 1 8.844 0.020 . 1 . . . . 131 ARG H . 26609 1 585 . 1 1 131 131 ARG C C 13 175.383 0.300 . 1 . . . . 131 ARG C . 26609 1 586 . 1 1 131 131 ARG CA C 13 56.572 0.300 . 1 . . . . 131 ARG CA . 26609 1 587 . 1 1 131 131 ARG CB C 13 32.356 0.300 . 1 . . . . 131 ARG CB . 26609 1 588 . 1 1 131 131 ARG N N 15 118.455 0.300 . 1 . . . . 131 ARG N . 26609 1 589 . 1 1 132 132 ASP H H 1 9.198 0.020 . 1 . . . . 132 ASP H . 26609 1 590 . 1 1 132 132 ASP C C 13 174.729 0.300 . 1 . . . . 132 ASP C . 26609 1 591 . 1 1 132 132 ASP CA C 13 55.649 0.300 . 1 . . . . 132 ASP CA . 26609 1 592 . 1 1 132 132 ASP CB C 13 38.999 0.300 . 1 . . . . 132 ASP CB . 26609 1 593 . 1 1 132 132 ASP N N 15 121.372 0.300 . 1 . . . . 132 ASP N . 26609 1 594 . 1 1 133 133 ALA H H 1 8.826 0.020 . 1 . . . . 133 ALA H . 26609 1 595 . 1 1 133 133 ALA C C 13 176.232 0.300 . 1 . . . . 133 ALA C . 26609 1 596 . 1 1 133 133 ALA CA C 13 53.382 0.300 . 1 . . . . 133 ALA CA . 26609 1 597 . 1 1 133 133 ALA CB C 13 16.698 0.300 . 1 . . . . 133 ALA CB . 26609 1 598 . 1 1 133 133 ALA N N 15 112.483 0.300 . 1 . . . . 133 ALA N . 26609 1 599 . 1 1 134 134 ASN H H 1 8.102 0.020 . 1 . . . . 134 ASN H . 26609 1 600 . 1 1 134 134 ASN C C 13 171.807 0.300 . 1 . . . . 134 ASN C . 26609 1 601 . 1 1 134 134 ASN CA C 13 51.756 0.300 . 1 . . . . 134 ASN CA . 26609 1 602 . 1 1 134 134 ASN CB C 13 42.851 0.300 . 1 . . . . 134 ASN CB . 26609 1 603 . 1 1 134 134 ASN N N 15 118.589 0.300 . 1 . . . . 134 ASN N . 26609 1 604 . 1 1 135 135 GLU H H 1 8.100 0.020 . 1 . . . . 135 GLU H . 26609 1 605 . 1 1 135 135 GLU C C 13 174.327 0.300 . 1 . . . . 135 GLU C . 26609 1 606 . 1 1 135 135 GLU CA C 13 54.029 0.300 . 1 . . . . 135 GLU CA . 26609 1 607 . 1 1 135 135 GLU CB C 13 30.167 0.300 . 1 . . . . 135 GLU CB . 26609 1 608 . 1 1 135 135 GLU N N 15 119.407 0.300 . 1 . . . . 135 GLU N . 26609 1 609 . 1 1 136 136 TYR H H 1 10.054 0.020 . 1 . . . . 136 TYR H . 26609 1 610 . 1 1 136 136 TYR C C 13 175.936 0.300 . 1 . . . . 136 TYR C . 26609 1 611 . 1 1 136 136 TYR CA C 13 55.908 0.300 . 1 . . . . 136 TYR CA . 26609 1 612 . 1 1 136 136 TYR CB C 13 41.370 0.300 . 1 . . . . 136 TYR CB . 26609 1 613 . 1 1 136 136 TYR N N 15 125.450 0.300 . 1 . . . . 136 TYR N . 26609 1 614 . 1 1 137 137 ARG H H 1 9.153 0.020 . 1 . . . . 137 ARG H . 26609 1 615 . 1 1 137 137 ARG C C 13 174.898 0.300 . 1 . . . . 137 ARG C . 26609 1 616 . 1 1 137 137 ARG CA C 13 54.131 0.300 . 1 . . . . 137 ARG CA . 26609 1 617 . 1 1 137 137 ARG CB C 13 34.776 0.300 . 1 . . . . 137 ARG CB . 26609 1 618 . 1 1 137 137 ARG N N 15 120.287 0.300 . 1 . . . . 137 ARG N . 26609 1 619 . 1 1 138 138 MET H H 1 8.878 0.020 . 1 . . . . 138 MET H . 26609 1 620 . 1 1 138 138 MET C C 13 173.595 0.300 . 1 . . . . 138 MET C . 26609 1 621 . 1 1 138 138 MET CA C 13 56.323 0.300 . 1 . . . . 138 MET CA . 26609 1 622 . 1 1 138 138 MET CB C 13 35.961 0.300 . 1 . . . . 138 MET CB . 26609 1 623 . 1 1 138 138 MET N N 15 123.192 0.300 . 1 . . . . 138 MET N . 26609 1 624 . 1 1 139 139 THR H H 1 7.632 0.020 . 1 . . . . 139 THR H . 26609 1 625 . 1 1 139 139 THR C C 13 172.188 0.300 . 1 . . . . 139 THR C . 26609 1 626 . 1 1 139 139 THR CA C 13 59.468 0.300 . 1 . . . . 139 THR CA . 26609 1 627 . 1 1 139 139 THR CB C 13 71.598 0.300 . 1 . . . . 139 THR CB . 26609 1 628 . 1 1 139 139 THR N N 15 112.538 0.300 . 1 . . . . 139 THR N . 26609 1 629 . 1 1 140 140 PHE H H 1 9.007 0.020 . 1 . . . . 140 PHE H . 26609 1 630 . 1 1 140 140 PHE C C 13 174.792 0.300 . 1 . . . . 140 PHE C . 26609 1 631 . 1 1 140 140 PHE CA C 13 56.413 0.300 . 1 . . . . 140 PHE CA . 26609 1 632 . 1 1 140 140 PHE CB C 13 43.370 0.300 . 1 . . . . 140 PHE CB . 26609 1 633 . 1 1 140 140 PHE N N 15 118.084 0.300 . 1 . . . . 140 PHE N . 26609 1 634 . 1 1 141 141 ALA H H 1 9.455 0.020 . 1 . . . . 141 ALA H . 26609 1 635 . 1 1 141 141 ALA C C 13 177.581 0.300 . 1 . . . . 141 ALA C . 26609 1 636 . 1 1 141 141 ALA CA C 13 51.548 0.300 . 1 . . . . 141 ALA CA . 26609 1 637 . 1 1 141 141 ALA CB C 13 20.402 0.300 . 1 . . . . 141 ALA CB . 26609 1 638 . 1 1 141 141 ALA N N 15 124.647 0.300 . 1 . . . . 141 ALA N . 26609 1 639 . 1 1 142 142 ASP H H 1 8.462 0.020 . 1 . . . . 142 ASP H . 26609 1 640 . 1 1 142 142 ASP C C 13 175.435 0.300 . 1 . . . . 142 ASP C . 26609 1 641 . 1 1 142 142 ASP CA C 13 55.481 0.300 . 1 . . . . 142 ASP CA . 26609 1 642 . 1 1 142 142 ASP CB C 13 39.517 0.300 . 1 . . . . 142 ASP CB . 26609 1 643 . 1 1 142 142 ASP N N 15 123.962 0.300 . 1 . . . . 142 ASP N . 26609 1 644 . 1 1 143 143 GLY H H 1 9.235 0.020 . 1 . . . . 143 GLY H . 26609 1 645 . 1 1 143 143 GLY C C 13 173.353 0.300 . 1 . . . . 143 GLY C . 26609 1 646 . 1 1 143 143 GLY CA C 13 44.950 0.300 . 1 . . . . 143 GLY CA . 26609 1 647 . 1 1 143 143 GLY N N 15 105.378 0.300 . 1 . . . . 143 GLY N . 26609 1 648 . 1 1 144 144 PHE H H 1 8.152 0.020 . 1 . . . . 144 PHE H . 26609 1 649 . 1 1 144 144 PHE C C 13 176.063 0.300 . 1 . . . . 144 PHE C . 26609 1 650 . 1 1 144 144 PHE CA C 13 56.029 0.300 . 1 . . . . 144 PHE CA . 26609 1 651 . 1 1 144 144 PHE CB C 13 40.184 0.300 . 1 . . . . 144 PHE CB . 26609 1 652 . 1 1 144 144 PHE N N 15 119.425 0.300 . 1 . . . . 144 PHE N . 26609 1 653 . 1 1 145 145 LYS H H 1 9.251 0.020 . 1 . . . . 145 LYS H . 26609 1 654 . 1 1 145 145 LYS C C 13 175.487 0.300 . 1 . . . . 145 LYS C . 26609 1 655 . 1 1 145 145 LYS CA C 13 58.401 0.300 . 1 . . . . 145 LYS CA . 26609 1 656 . 1 1 145 145 LYS CB C 13 30.989 0.300 . 1 . . . . 145 LYS CB . 26609 1 657 . 1 1 145 145 LYS N N 15 123.901 0.300 . 1 . . . . 145 LYS N . 26609 1 658 . 1 1 146 146 ASP H H 1 8.902 0.020 . 1 . . . . 146 ASP H . 26609 1 659 . 1 1 146 146 ASP C C 13 174.792 0.300 . 1 . . . . 146 ASP C . 26609 1 660 . 1 1 146 146 ASP CA C 13 53.535 0.300 . 1 . . . . 146 ASP CA . 26609 1 661 . 1 1 146 146 ASP CB C 13 41.740 0.300 . 1 . . . . 146 ASP CB . 26609 1 662 . 1 1 146 146 ASP N N 15 127.808 0.300 . 1 . . . . 146 ASP N . 26609 1 663 . 1 1 147 147 SER H H 1 7.478 0.020 . 1 . . . . 147 SER H . 26609 1 664 . 1 1 147 147 SER C C 13 172.358 0.300 . 1 . . . . 147 SER C . 26609 1 665 . 1 1 147 147 SER CA C 13 57.112 0.300 . 1 . . . . 147 SER CA . 26609 1 666 . 1 1 147 147 SER CB C 13 64.263 0.300 . 1 . . . . 147 SER CB . 26609 1 667 . 1 1 147 147 SER N N 15 113.207 0.300 . 1 . . . . 147 SER N . 26609 1 668 . 1 1 148 148 ASP H H 1 8.074 0.020 . 1 . . . . 148 ASP H . 26609 1 669 . 1 1 148 148 ASP C C 13 175.865 0.300 . 1 . . . . 148 ASP C . 26609 1 670 . 1 1 148 148 ASP CA C 13 53.780 0.300 . 1 . . . . 148 ASP CA . 26609 1 671 . 1 1 148 148 ASP CB C 13 41.444 0.300 . 1 . . . . 148 ASP CB . 26609 1 672 . 1 1 148 148 ASP N N 15 118.723 0.300 . 1 . . . . 148 ASP N . 26609 1 673 . 1 1 149 149 LEU H H 1 8.452 0.020 . 1 . . . . 149 LEU H . 26609 1 674 . 1 1 149 149 LEU C C 13 176.309 0.300 . 1 . . . . 149 LEU C . 26609 1 675 . 1 1 149 149 LEU CA C 13 55.784 0.300 . 1 . . . . 149 LEU CA . 26609 1 676 . 1 1 149 149 LEU CB C 13 40.929 0.300 . 1 . . . . 149 LEU CB . 26609 1 677 . 1 1 149 149 LEU N N 15 120.374 0.300 . 1 . . . . 149 LEU N . 26609 1 678 . 1 1 150 150 GLU H H 1 8.797 0.020 . 1 . . . . 150 GLU H . 26609 1 679 . 1 1 150 150 GLU C C 13 175.025 0.300 . 1 . . . . 150 GLU C . 26609 1 680 . 1 1 150 150 GLU CA C 13 53.972 0.300 . 1 . . . . 150 GLU CA . 26609 1 681 . 1 1 150 150 GLU CB C 13 32.553 0.300 . 1 . . . . 150 GLU CB . 26609 1 682 . 1 1 150 150 GLU N N 15 128.023 0.300 . 1 . . . . 150 GLU N . 26609 1 683 . 1 1 151 151 VAL H H 1 8.765 0.020 . 1 . . . . 151 VAL H . 26609 1 684 . 1 1 151 151 VAL C C 13 177.396 0.300 . 1 . . . . 151 VAL C . 26609 1 685 . 1 1 151 151 VAL CA C 13 62.346 0.300 . 1 . . . . 151 VAL CA . 26609 1 686 . 1 1 151 151 VAL CB C 13 30.553 0.300 . 1 . . . . 151 VAL CB . 26609 1 687 . 1 1 151 151 VAL N N 15 123.573 0.300 . 1 . . . . 151 VAL N . 26609 1 688 . 1 1 152 152 ILE H H 1 9.121 0.020 . 1 . . . . 152 ILE H . 26609 1 689 . 1 1 152 152 ILE C C 13 175.963 0.300 . 1 . . . . 152 ILE C . 26609 1 690 . 1 1 152 152 ILE CA C 13 60.385 0.300 . 1 . . . . 152 ILE CA . 26609 1 691 . 1 1 152 152 ILE CB C 13 38.003 0.300 . 1 . . . . 152 ILE CB . 26609 1 692 . 1 1 152 152 ILE N N 15 122.738 0.300 . 1 . . . . 152 ILE N . 26609 1 693 . 1 1 153 153 GLY H H 1 7.479 0.020 . 1 . . . . 153 GLY H . 26609 1 694 . 1 1 153 153 GLY C C 13 171.229 0.300 . 1 . . . . 153 GLY C . 26609 1 695 . 1 1 153 153 GLY CA C 13 44.919 0.300 . 1 . . . . 153 GLY CA . 26609 1 696 . 1 1 153 153 GLY N N 15 108.979 0.300 . 1 . . . . 153 GLY N . 26609 1 697 . 1 1 154 154 THR H H 1 8.290 0.020 . 1 . . . . 154 THR H . 26609 1 698 . 1 1 154 154 THR C C 13 174.581 0.300 . 1 . . . . 154 THR C . 26609 1 699 . 1 1 154 154 THR CA C 13 60.427 0.300 . 1 . . . . 154 THR CA . 26609 1 700 . 1 1 154 154 THR CB C 13 70.487 0.300 . 1 . . . . 154 THR CB . 26609 1 701 . 1 1 154 154 THR N N 15 112.962 0.300 . 1 . . . . 154 THR N . 26609 1 702 . 1 1 155 155 VAL H H 1 7.882 0.020 . 1 . . . . 155 VAL H . 26609 1 703 . 1 1 155 155 VAL C C 13 175.745 0.300 . 1 . . . . 155 VAL C . 26609 1 704 . 1 1 155 155 VAL CA C 13 58.952 0.300 . 1 . . . . 155 VAL CA . 26609 1 705 . 1 1 155 155 VAL CB C 13 34.998 0.300 . 1 . . . . 155 VAL CB . 26609 1 706 . 1 1 155 155 VAL N N 15 116.012 0.300 . 1 . . . . 155 VAL N . 26609 1 707 . 1 1 156 156 GLY H H 1 8.521 0.020 . 1 . . . . 156 GLY H . 26609 1 708 . 1 1 156 156 GLY C C 13 175.364 0.300 . 1 . . . . 156 GLY C . 26609 1 709 . 1 1 156 156 GLY CA C 13 44.872 0.300 . 1 . . . . 156 GLY CA . 26609 1 710 . 1 1 156 156 GLY N N 15 107.094 0.300 . 1 . . . . 156 GLY N . 26609 1 711 . 1 1 157 157 LYS H H 1 8.551 0.020 . 1 . . . . 157 LYS H . 26609 1 712 . 1 1 157 157 LYS C C 13 177.841 0.300 . 1 . . . . 157 LYS C . 26609 1 713 . 1 1 157 157 LYS CA C 13 59.139 0.300 . 1 . . . . 157 LYS CA . 26609 1 714 . 1 1 157 157 LYS CB C 13 31.590 0.300 . 1 . . . . 157 LYS CB . 26609 1 715 . 1 1 157 157 LYS N N 15 121.361 0.300 . 1 . . . . 157 LYS N . 26609 1 716 . 1 1 158 158 ARG H H 1 8.454 0.020 . 1 . . . . 158 ARG H . 26609 1 717 . 1 1 158 158 ARG C C 13 175.207 0.300 . 1 . . . . 158 ARG C . 26609 1 718 . 1 1 158 158 ARG CA C 13 55.352 0.300 . 1 . . . . 158 ARG CA . 26609 1 719 . 1 1 158 158 ARG CB C 13 28.256 0.300 . 1 . . . . 158 ARG CB . 26609 1 720 . 1 1 158 158 ARG N N 15 114.613 0.300 . 1 . . . . 158 ARG N . 26609 1 721 . 1 1 159 159 ASN H H 1 7.561 0.020 . 1 . . . . 159 ASN H . 26609 1 722 . 1 1 159 159 ASN C C 13 172.551 0.300 . 1 . . . . 159 ASN C . 26609 1 723 . 1 1 159 159 ASN CA C 13 52.115 0.300 . 1 . . . . 159 ASN CA . 26609 1 724 . 1 1 159 159 ASN CB C 13 37.221 0.300 . 1 . . . . 159 ASN CB . 26609 1 725 . 1 1 159 159 ASN N N 15 120.950 0.300 . 1 . . . . 159 ASN N . 26609 1 726 . 1 1 160 160 THR H H 1 7.671 0.020 . 1 . . . . 160 THR H . 26609 1 727 . 1 1 160 160 THR C C 13 174.736 0.300 . 1 . . . . 160 THR C . 26609 1 728 . 1 1 160 160 THR CA C 13 59.247 0.300 . 1 . . . . 160 THR CA . 26609 1 729 . 1 1 160 160 THR CB C 13 71.820 0.300 . 1 . . . . 160 THR CB . 26609 1 730 . 1 1 160 160 THR N N 15 111.613 0.300 . 1 . . . . 160 THR N . 26609 1 731 . 1 1 161 161 GLY H H 1 8.558 0.020 . 1 . . . . 161 GLY H . 26609 1 732 . 1 1 161 161 GLY C C 13 172.853 0.300 . 1 . . . . 161 GLY C . 26609 1 733 . 1 1 161 161 GLY CA C 13 45.012 0.300 . 1 . . . . 161 GLY CA . 26609 1 734 . 1 1 161 161 GLY N N 15 107.401 0.300 . 1 . . . . 161 GLY N . 26609 1 735 . 1 1 162 162 THR H H 1 7.621 0.020 . 1 . . . . 162 THR H . 26609 1 736 . 1 1 162 162 THR C C 13 172.419 0.300 . 1 . . . . 162 THR C . 26609 1 737 . 1 1 162 162 THR CA C 13 62.326 0.300 . 1 . . . . 162 THR CA . 26609 1 738 . 1 1 162 162 THR CB C 13 71.154 0.300 . 1 . . . . 162 THR CB . 26609 1 739 . 1 1 162 162 THR N N 15 114.378 0.300 . 1 . . . . 162 THR N . 26609 1 740 . 1 1 163 163 SER H H 1 9.426 0.020 . 1 . . . . 163 SER H . 26609 1 741 . 1 1 163 163 SER C C 13 174.260 0.300 . 1 . . . . 163 SER C . 26609 1 742 . 1 1 163 163 SER CA C 13 55.596 0.300 . 1 . . . . 163 SER CA . 26609 1 743 . 1 1 163 163 SER CB C 13 64.567 0.300 . 1 . . . . 163 SER CB . 26609 1 744 . 1 1 163 163 SER N N 15 119.701 0.300 . 1 . . . . 163 SER N . 26609 1 745 . 1 1 164 164 VAL H H 1 9.276 0.020 . 1 . . . . 164 VAL H . 26609 1 746 . 1 1 164 164 VAL C C 13 173.124 0.300 . 1 . . . . 164 VAL C . 26609 1 747 . 1 1 164 164 VAL CA C 13 61.315 0.300 . 1 . . . . 164 VAL CA . 26609 1 748 . 1 1 164 164 VAL CB C 13 33.885 0.300 . 1 . . . . 164 VAL CB . 26609 1 749 . 1 1 164 164 VAL N N 15 124.679 0.300 . 1 . . . . 164 VAL N . 26609 1 750 . 1 1 165 165 HIS H H 1 9.207 0.020 . 1 . . . . 165 HIS H . 26609 1 751 . 1 1 165 165 HIS C C 13 173.386 0.300 . 1 . . . . 165 HIS C . 26609 1 752 . 1 1 165 165 HIS CA C 13 50.856 0.300 . 1 . . . . 165 HIS CA . 26609 1 753 . 1 1 165 165 HIS CB C 13 31.812 0.300 . 1 . . . . 165 HIS CB . 26609 1 754 . 1 1 165 165 HIS N N 15 128.816 0.300 . 1 . . . . 165 HIS N . 26609 1 755 . 1 1 166 166 PHE H H 1 9.425 0.020 . 1 . . . . 166 PHE H . 26609 1 756 . 1 1 166 166 PHE C C 13 171.617 0.300 . 1 . . . . 166 PHE C . 26609 1 757 . 1 1 166 166 PHE CA C 13 55.137 0.300 . 1 . . . . 166 PHE CA . 26609 1 758 . 1 1 166 166 PHE CB C 13 42.703 0.300 . 1 . . . . 166 PHE CB . 26609 1 759 . 1 1 166 166 PHE N N 15 122.367 0.300 . 1 . . . . 166 PHE N . 26609 1 760 . 1 1 167 167 TRP H H 1 8.734 0.020 . 1 . . . . 167 TRP H . 26609 1 761 . 1 1 167 167 TRP CA C 13 55.254 0.300 . 1 . . . . 167 TRP CA . 26609 1 762 . 1 1 167 167 TRP CB C 13 31.145 0.300 . 1 . . . . 167 TRP CB . 26609 1 763 . 1 1 167 167 TRP N N 15 124.683 0.300 . 1 . . . . 167 TRP N . 26609 1 764 . 1 1 168 168 PRO C C 13 176.664 0.300 . 1 . . . . 168 PRO C . 26609 1 765 . 1 1 168 168 PRO CA C 13 62.777 0.300 . 1 . . . . 168 PRO CA . 26609 1 766 . 1 1 168 168 PRO CB C 13 31.117 0.300 . 1 . . . . 168 PRO CB . 26609 1 767 . 1 1 169 169 ASP H H 1 10.073 0.020 . 1 . . . . 169 ASP H . 26609 1 768 . 1 1 169 169 ASP CA C 13 51.645 0.300 . 1 . . . . 169 ASP CA . 26609 1 769 . 1 1 169 169 ASP CB C 13 41.028 0.300 . 1 . . . . 169 ASP CB . 26609 1 770 . 1 1 169 169 ASP N N 15 128.349 0.300 . 1 . . . . 169 ASP N . 26609 1 771 . 1 1 170 170 PRO C C 13 178.201 0.300 . 1 . . . . 170 PRO C . 26609 1 772 . 1 1 170 170 PRO CA C 13 64.091 0.300 . 1 . . . . 170 PRO CA . 26609 1 773 . 1 1 170 170 PRO CB C 13 32.002 0.300 . 1 . . . . 170 PRO CB . 26609 1 774 . 1 1 171 171 LYS H H 1 8.371 0.020 . 1 . . . . 171 LYS H . 26609 1 775 . 1 1 171 171 LYS C C 13 177.714 0.300 . 1 . . . . 171 LYS C . 26609 1 776 . 1 1 171 171 LYS CA C 13 57.857 0.300 . 1 . . . . 171 LYS CA . 26609 1 777 . 1 1 171 171 LYS CB C 13 30.404 0.300 . 1 . . . . 171 LYS CB . 26609 1 778 . 1 1 171 171 LYS N N 15 116.691 0.300 . 1 . . . . 171 LYS N . 26609 1 779 . 1 1 172 172 TYR H H 1 7.192 0.020 . 1 . . . . 172 TYR H . 26609 1 780 . 1 1 172 172 TYR C C 13 174.432 0.300 . 1 . . . . 172 TYR C . 26609 1 781 . 1 1 172 172 TYR CA C 13 57.729 0.300 . 1 . . . . 172 TYR CA . 26609 1 782 . 1 1 172 172 TYR CB C 13 37.887 0.300 . 1 . . . . 172 TYR CB . 26609 1 783 . 1 1 172 172 TYR N N 15 116.076 0.300 . 1 . . . . 172 TYR N . 26609 1 784 . 1 1 173 173 PHE H H 1 7.078 0.020 . 1 . . . . 173 PHE H . 26609 1 785 . 1 1 173 173 PHE C C 13 176.253 0.300 . 1 . . . . 173 PHE C . 26609 1 786 . 1 1 173 173 PHE CA C 13 56.149 0.300 . 1 . . . . 173 PHE CA . 26609 1 787 . 1 1 173 173 PHE CB C 13 43.424 0.300 . 1 . . . . 173 PHE CB . 26609 1 788 . 1 1 173 173 PHE N N 15 113.523 0.300 . 1 . . . . 173 PHE N . 26609 1 789 . 1 1 174 174 ASP H H 1 8.963 0.020 . 1 . . . . 174 ASP H . 26609 1 790 . 1 1 174 174 ASP C C 13 177.545 0.300 . 1 . . . . 174 ASP C . 26609 1 791 . 1 1 174 174 ASP CA C 13 57.047 0.300 . 1 . . . . 174 ASP CA . 26609 1 792 . 1 1 174 174 ASP CB C 13 39.489 0.300 . 1 . . . . 174 ASP CB . 26609 1 793 . 1 1 174 174 ASP N N 15 122.571 0.300 . 1 . . . . 174 ASP N . 26609 1 794 . 1 1 175 175 SER H H 1 7.549 0.020 . 1 . . . . 175 SER H . 26609 1 795 . 1 1 175 175 SER C C 13 173.014 0.300 . 1 . . . . 175 SER C . 26609 1 796 . 1 1 175 175 SER CA C 13 56.011 0.300 . 1 . . . . 175 SER CA . 26609 1 797 . 1 1 175 175 SER CB C 13 64.041 0.300 . 1 . . . . 175 SER CB . 26609 1 798 . 1 1 175 175 SER N N 15 110.929 0.300 . 1 . . . . 175 SER N . 26609 1 799 . 1 1 176 176 ALA H H 1 8.608 0.020 . 1 . . . . 176 ALA H . 26609 1 800 . 1 1 176 176 ALA C C 13 175.978 0.300 . 1 . . . . 176 ALA C . 26609 1 801 . 1 1 176 176 ALA CA C 13 51.502 0.300 . 1 . . . . 176 ALA CA . 26609 1 802 . 1 1 176 176 ALA CB C 13 17.809 0.300 . 1 . . . . 176 ALA CB . 26609 1 803 . 1 1 176 176 ALA N N 15 125.962 0.300 . 1 . . . . 176 ALA N . 26609 1 804 . 1 1 177 177 LYS H H 1 7.643 0.020 . 1 . . . . 177 LYS H . 26609 1 805 . 1 1 177 177 LYS C C 13 177.693 0.300 . 1 . . . . 177 LYS C . 26609 1 806 . 1 1 177 177 LYS CA C 13 55.019 0.300 . 1 . . . . 177 LYS CA . 26609 1 807 . 1 1 177 177 LYS CB C 13 31.244 0.300 . 1 . . . . 177 LYS CB . 26609 1 808 . 1 1 177 177 LYS N N 15 115.336 0.300 . 1 . . . . 177 LYS N . 26609 1 809 . 1 1 178 178 PHE H H 1 8.592 0.020 . 1 . . . . 178 PHE H . 26609 1 810 . 1 1 178 178 PHE C C 13 176.867 0.300 . 1 . . . . 178 PHE C . 26609 1 811 . 1 1 178 178 PHE CA C 13 59.114 0.300 . 1 . . . . 178 PHE CA . 26609 1 812 . 1 1 178 178 PHE CB C 13 38.999 0.300 . 1 . . . . 178 PHE CB . 26609 1 813 . 1 1 178 178 PHE N N 15 121.207 0.300 . 1 . . . . 178 PHE N . 26609 1 814 . 1 1 179 179 SER H H 1 9.488 0.020 . 1 . . . . 179 SER H . 26609 1 815 . 1 1 179 179 SER C C 13 176.909 0.300 . 1 . . . . 179 SER C . 26609 1 816 . 1 1 179 179 SER CA C 13 56.180 0.300 . 1 . . . . 179 SER CA . 26609 1 817 . 1 1 179 179 SER CB C 13 61.438 0.300 . 1 . . . . 179 SER CB . 26609 1 818 . 1 1 179 179 SER N N 15 115.566 0.300 . 1 . . . . 179 SER N . 26609 1 819 . 1 1 180 180 VAL H H 1 9.473 0.020 . 1 . . . . 180 VAL H . 26609 1 820 . 1 1 180 180 VAL C C 13 177.943 0.300 . 1 . . . . 180 VAL C . 26609 1 821 . 1 1 180 180 VAL CA C 13 67.029 0.300 . 1 . . . . 180 VAL CA . 26609 1 822 . 1 1 180 180 VAL CB C 13 30.665 0.300 . 1 . . . . 180 VAL CB . 26609 1 823 . 1 1 180 180 VAL N N 15 135.882 0.300 . 1 . . . . 180 VAL N . 26609 1 824 . 1 1 181 181 SER H H 1 9.119 0.020 . 1 . . . . 181 SER H . 26609 1 825 . 1 1 181 181 SER C C 13 177.968 0.300 . 1 . . . . 181 SER C . 26609 1 826 . 1 1 181 181 SER CA C 13 61.343 0.300 . 1 . . . . 181 SER CA . 26609 1 827 . 1 1 181 181 SER N N 15 116.821 0.300 . 1 . . . . 181 SER N . 26609 1 828 . 1 1 182 182 ARG H H 1 7.418 0.020 . 1 . . . . 182 ARG H . 26609 1 829 . 1 1 182 182 ARG C C 13 179.872 0.300 . 1 . . . . 182 ARG C . 26609 1 830 . 1 1 182 182 ARG CA C 13 58.439 0.300 . 1 . . . . 182 ARG CA . 26609 1 831 . 1 1 182 182 ARG CB C 13 28.774 0.300 . 1 . . . . 182 ARG CB . 26609 1 832 . 1 1 182 182 ARG N N 15 120.192 0.300 . 1 . . . . 182 ARG N . 26609 1 833 . 1 1 183 183 LEU H H 1 7.593 0.020 . 1 . . . . 183 LEU H . 26609 1 834 . 1 1 183 183 LEU C C 13 178.010 0.300 . 1 . . . . 183 LEU C . 26609 1 835 . 1 1 183 183 LEU CA C 13 57.658 0.300 . 1 . . . . 183 LEU CA . 26609 1 836 . 1 1 183 183 LEU CB C 13 41.073 0.300 . 1 . . . . 183 LEU CB . 26609 1 837 . 1 1 183 183 LEU N N 15 121.678 0.300 . 1 . . . . 183 LEU N . 26609 1 838 . 1 1 184 184 LYS H H 1 8.176 0.020 . 1 . . . . 184 LYS H . 26609 1 839 . 1 1 184 184 LYS C C 13 178.116 0.300 . 1 . . . . 184 LYS C . 26609 1 840 . 1 1 184 184 LYS CA C 13 60.290 0.300 . 1 . . . . 184 LYS CA . 26609 1 841 . 1 1 184 184 LYS CB C 13 31.071 0.300 . 1 . . . . 184 LYS CB . 26609 1 842 . 1 1 184 184 LYS N N 15 116.308 0.300 . 1 . . . . 184 LYS N . 26609 1 843 . 1 1 185 185 HIS H H 1 7.672 0.020 . 1 . . . . 185 HIS H . 26609 1 844 . 1 1 185 185 HIS C C 13 178.239 0.300 . 1 . . . . 185 HIS C . 26609 1 845 . 1 1 185 185 HIS CA C 13 59.402 0.300 . 1 . . . . 185 HIS CA . 26609 1 846 . 1 1 185 185 HIS CB C 13 30.189 0.300 . 1 . . . . 185 HIS CB . 26609 1 847 . 1 1 185 185 HIS N N 15 117.309 0.300 . 1 . . . . 185 HIS N . 26609 1 848 . 1 1 186 186 VAL H H 1 7.406 0.020 . 1 . . . . 186 VAL H . 26609 1 849 . 1 1 186 186 VAL C C 13 177.402 0.300 . 1 . . . . 186 VAL C . 26609 1 850 . 1 1 186 186 VAL CA C 13 64.918 0.300 . 1 . . . . 186 VAL CA . 26609 1 851 . 1 1 186 186 VAL CB C 13 30.751 0.300 . 1 . . . . 186 VAL CB . 26609 1 852 . 1 1 186 186 VAL N N 15 117.790 0.300 . 1 . . . . 186 VAL N . 26609 1 853 . 1 1 187 187 LEU H H 1 7.911 0.020 . 1 . . . . 187 LEU H . 26609 1 854 . 1 1 187 187 LEU C C 13 177.756 0.300 . 1 . . . . 187 LEU C . 26609 1 855 . 1 1 187 187 LEU CA C 13 57.489 0.300 . 1 . . . . 187 LEU CA . 26609 1 856 . 1 1 187 187 LEU CB C 13 39.740 0.300 . 1 . . . . 187 LEU CB . 26609 1 857 . 1 1 187 187 LEU N N 15 119.737 0.300 . 1 . . . . 187 LEU N . 26609 1 858 . 1 1 188 188 LYS H H 1 7.215 0.020 . 1 . . . . 188 LYS H . 26609 1 859 . 1 1 188 188 LYS C C 13 177.861 0.300 . 1 . . . . 188 LYS C . 26609 1 860 . 1 1 188 188 LYS CA C 13 59.259 0.300 . 1 . . . . 188 LYS CA . 26609 1 861 . 1 1 188 188 LYS CB C 13 30.330 0.300 . 1 . . . . 188 LYS CB . 26609 1 862 . 1 1 188 188 LYS N N 15 118.567 0.300 . 1 . . . . 188 LYS N . 26609 1 863 . 1 1 189 189 ALA H H 1 6.833 0.020 . 1 . . . . 189 ALA H . 26609 1 864 . 1 1 189 189 ALA C C 13 181.313 0.300 . 1 . . . . 189 ALA C . 26609 1 865 . 1 1 189 189 ALA CA C 13 54.135 0.300 . 1 . . . . 189 ALA CA . 26609 1 866 . 1 1 189 189 ALA CB C 13 16.855 0.300 . 1 . . . . 189 ALA CB . 26609 1 867 . 1 1 189 189 ALA N N 15 117.186 0.300 . 1 . . . . 189 ALA N . 26609 1 868 . 1 1 190 190 LYS H H 1 7.893 0.020 . 1 . . . . 190 LYS H . 26609 1 869 . 1 1 190 190 LYS C C 13 177.093 0.300 . 1 . . . . 190 LYS C . 26609 1 870 . 1 1 190 190 LYS CA C 13 56.346 0.300 . 1 . . . . 190 LYS CA . 26609 1 871 . 1 1 190 190 LYS CB C 13 29.227 0.300 . 1 . . . . 190 LYS CB . 26609 1 872 . 1 1 190 190 LYS N N 15 116.288 0.300 . 1 . . . . 190 LYS N . 26609 1 873 . 1 1 191 191 ALA H H 1 7.457 0.020 . 1 . . . . 191 ALA H . 26609 1 874 . 1 1 191 191 ALA C C 13 179.065 0.300 . 1 . . . . 191 ALA C . 26609 1 875 . 1 1 191 191 ALA CA C 13 54.695 0.300 . 1 . . . . 191 ALA CA . 26609 1 876 . 1 1 191 191 ALA CB C 13 17.095 0.300 . 1 . . . . 191 ALA CB . 26609 1 877 . 1 1 191 191 ALA N N 15 119.950 0.300 . 1 . . . . 191 ALA N . 26609 1 878 . 1 1 192 192 VAL H H 1 7.407 0.020 . 1 . . . . 192 VAL H . 26609 1 879 . 1 1 192 192 VAL C C 13 177.407 0.300 . 1 . . . . 192 VAL C . 26609 1 880 . 1 1 192 192 VAL CA C 13 64.530 0.300 . 1 . . . . 192 VAL CA . 26609 1 881 . 1 1 192 192 VAL CB C 13 31.172 0.300 . 1 . . . . 192 VAL CB . 26609 1 882 . 1 1 192 192 VAL N N 15 115.314 0.300 . 1 . . . . 192 VAL N . 26609 1 883 . 1 1 193 193 LEU H H 1 7.456 0.020 . 1 . . . . 193 LEU H . 26609 1 884 . 1 1 193 193 LEU C C 13 175.833 0.300 . 1 . . . . 193 LEU C . 26609 1 885 . 1 1 193 193 LEU CA C 13 56.076 0.300 . 1 . . . . 193 LEU CA . 26609 1 886 . 1 1 193 193 LEU CB C 13 41.888 0.300 . 1 . . . . 193 LEU CB . 26609 1 887 . 1 1 193 193 LEU N N 15 118.511 0.300 . 1 . . . . 193 LEU N . 26609 1 888 . 1 1 194 194 CYS H H 1 7.277 0.020 . 1 . . . . 194 CYS H . 26609 1 889 . 1 1 194 194 CYS CA C 13 54.875 0.300 . 1 . . . . 194 CYS CA . 26609 1 890 . 1 1 194 194 CYS CB C 13 26.626 0.300 . 1 . . . . 194 CYS CB . 26609 1 891 . 1 1 194 194 CYS N N 15 117.672 0.300 . 1 . . . . 194 CYS N . 26609 1 892 . 1 1 195 195 PRO C C 13 177.926 0.300 . 1 . . . . 195 PRO C . 26609 1 893 . 1 1 195 195 PRO CA C 13 63.909 0.300 . 1 . . . . 195 PRO CA . 26609 1 894 . 1 1 195 195 PRO CB C 13 30.420 0.300 . 1 . . . . 195 PRO CB . 26609 1 895 . 1 1 196 196 GLY H H 1 8.416 0.020 . 1 . . . . 196 GLY H . 26609 1 896 . 1 1 196 196 GLY C C 13 173.564 0.300 . 1 . . . . 196 GLY C . 26609 1 897 . 1 1 196 196 GLY CA C 13 44.676 0.300 . 1 . . . . 196 GLY CA . 26609 1 898 . 1 1 196 196 GLY N N 15 113.525 0.300 . 1 . . . . 196 GLY N . 26609 1 899 . 1 1 197 197 LEU H H 1 8.310 0.020 . 1 . . . . 197 LEU H . 26609 1 900 . 1 1 197 197 LEU C C 13 176.719 0.300 . 1 . . . . 197 LEU C . 26609 1 901 . 1 1 197 197 LEU CA C 13 54.818 0.300 . 1 . . . . 197 LEU CA . 26609 1 902 . 1 1 197 197 LEU CB C 13 42.926 0.300 . 1 . . . . 197 LEU CB . 26609 1 903 . 1 1 197 197 LEU N N 15 124.353 0.300 . 1 . . . . 197 LEU N . 26609 1 904 . 1 1 198 198 SER H H 1 8.013 0.020 . 1 . . . . 198 SER H . 26609 1 905 . 1 1 198 198 SER C C 13 173.254 0.300 . 1 . . . . 198 SER C . 26609 1 906 . 1 1 198 198 SER CA C 13 57.292 0.300 . 1 . . . . 198 SER CA . 26609 1 907 . 1 1 198 198 SER CB C 13 62.189 0.300 . 1 . . . . 198 SER CB . 26609 1 908 . 1 1 198 198 SER N N 15 121.691 0.300 . 1 . . . . 198 SER N . 26609 1 909 . 1 1 199 199 VAL H H 1 8.967 0.020 . 1 . . . . 199 VAL H . 26609 1 910 . 1 1 199 199 VAL C C 13 174.390 0.300 . 1 . . . . 199 VAL C . 26609 1 911 . 1 1 199 199 VAL CA C 13 60.650 0.300 . 1 . . . . 199 VAL CA . 26609 1 912 . 1 1 199 199 VAL CB C 13 32.923 0.300 . 1 . . . . 199 VAL CB . 26609 1 913 . 1 1 199 199 VAL N N 15 127.970 0.300 . 1 . . . . 199 VAL N . 26609 1 914 . 1 1 200 200 VAL H H 1 8.952 0.020 . 1 . . . . 200 VAL H . 26609 1 915 . 1 1 200 200 VAL C C 13 174.196 0.300 . 1 . . . . 200 VAL C . 26609 1 916 . 1 1 200 200 VAL CA C 13 60.027 0.300 . 1 . . . . 200 VAL CA . 26609 1 917 . 1 1 200 200 VAL CB C 13 34.687 0.300 . 1 . . . . 200 VAL CB . 26609 1 918 . 1 1 200 200 VAL N N 15 126.819 0.300 . 1 . . . . 200 VAL N . 26609 1 919 . 1 1 201 201 PHE H H 1 9.165 0.020 . 1 . . . . 201 PHE H . 26609 1 920 . 1 1 201 201 PHE C C 13 172.717 0.300 . 1 . . . . 201 PHE C . 26609 1 921 . 1 1 201 201 PHE CA C 13 54.762 0.300 . 1 . . . . 201 PHE CA . 26609 1 922 . 1 1 201 201 PHE CB C 13 42.333 0.300 . 1 . . . . 201 PHE CB . 26609 1 923 . 1 1 201 201 PHE N N 15 126.319 0.300 . 1 . . . . 201 PHE N . 26609 1 924 . 1 1 202 202 GLU H H 1 8.324 0.020 . 1 . . . . 202 GLU H . 26609 1 925 . 1 1 202 202 GLU C C 13 172.209 0.300 . 1 . . . . 202 GLU C . 26609 1 926 . 1 1 202 202 GLU CA C 13 53.334 0.300 . 1 . . . . 202 GLU CA . 26609 1 927 . 1 1 202 202 GLU CB C 13 32.695 0.300 . 1 . . . . 202 GLU CB . 26609 1 928 . 1 1 202 202 GLU N N 15 127.054 0.300 . 1 . . . . 202 GLU N . 26609 1 929 . 1 1 203 203 ASP H H 1 8.191 0.020 . 1 . . . . 203 ASP H . 26609 1 930 . 1 1 203 203 ASP C C 13 178.010 0.300 . 1 . . . . 203 ASP C . 26609 1 931 . 1 1 203 203 ASP CA C 13 51.186 0.300 . 1 . . . . 203 ASP CA . 26609 1 932 . 1 1 203 203 ASP CB C 13 41.666 0.300 . 1 . . . . 203 ASP CB . 26609 1 933 . 1 1 203 203 ASP N N 15 121.891 0.300 . 1 . . . . 203 ASP N . 26609 1 934 . 1 1 204 204 LYS H H 1 9.146 0.020 . 1 . . . . 204 LYS H . 26609 1 935 . 1 1 204 204 LYS C C 13 178.645 0.300 . 1 . . . . 204 LYS C . 26609 1 936 . 1 1 204 204 LYS CA C 13 56.197 0.300 . 1 . . . . 204 LYS CA . 26609 1 937 . 1 1 204 204 LYS CB C 13 31.071 0.300 . 1 . . . . 204 LYS CB . 26609 1 938 . 1 1 204 204 LYS N N 15 122.406 0.300 . 1 . . . . 204 LYS N . 26609 1 939 . 1 1 205 205 ASN H H 1 9.220 0.020 . 1 . . . . 205 ASN H . 26609 1 940 . 1 1 205 205 ASN C C 13 176.592 0.300 . 1 . . . . 205 ASN C . 26609 1 941 . 1 1 205 205 ASN CA C 13 56.165 0.300 . 1 . . . . 205 ASN CA . 26609 1 942 . 1 1 205 205 ASN CB C 13 38.628 0.300 . 1 . . . . 205 ASN CB . 26609 1 943 . 1 1 205 205 ASN N N 15 115.507 0.300 . 1 . . . . 205 ASN N . 26609 1 944 . 1 1 206 206 THR H H 1 6.857 0.020 . 1 . . . . 206 THR H . 26609 1 945 . 1 1 206 206 THR C C 13 176.295 0.300 . 1 . . . . 206 THR C . 26609 1 946 . 1 1 206 206 THR CA C 13 60.693 0.300 . 1 . . . . 206 THR CA . 26609 1 947 . 1 1 206 206 THR CB C 13 70.635 0.300 . 1 . . . . 206 THR CB . 26609 1 948 . 1 1 206 206 THR N N 15 103.982 0.300 . 1 . . . . 206 THR N . 26609 1 949 . 1 1 207 207 GLY H H 1 8.403 0.020 . 1 . . . . 207 GLY H . 26609 1 950 . 1 1 207 207 GLY C C 13 173.598 0.300 . 1 . . . . 207 GLY C . 26609 1 951 . 1 1 207 207 GLY CA C 13 44.723 0.300 . 1 . . . . 207 GLY CA . 26609 1 952 . 1 1 207 207 GLY N N 15 111.539 0.300 . 1 . . . . 207 GLY N . 26609 1 953 . 1 1 208 208 GLU H H 1 7.776 0.020 . 1 . . . . 208 GLU H . 26609 1 954 . 1 1 208 208 GLU C C 13 174.411 0.300 . 1 . . . . 208 GLU C . 26609 1 955 . 1 1 208 208 GLU CA C 13 56.772 0.300 . 1 . . . . 208 GLU CA . 26609 1 956 . 1 1 208 208 GLU CB C 13 29.738 0.300 . 1 . . . . 208 GLU CB . 26609 1 957 . 1 1 208 208 GLU N N 15 122.567 0.300 . 1 . . . . 208 GLU N . 26609 1 958 . 1 1 209 209 ARG H H 1 8.144 0.020 . 1 . . . . 209 ARG H . 26609 1 959 . 1 1 209 209 ARG C C 13 174.813 0.300 . 1 . . . . 209 ARG C . 26609 1 960 . 1 1 209 209 ARG CA C 13 54.797 0.300 . 1 . . . . 209 ARG CA . 26609 1 961 . 1 1 209 209 ARG CB C 13 31.442 0.300 . 1 . . . . 209 ARG CB . 26609 1 962 . 1 1 209 209 ARG N N 15 126.342 0.300 . 1 . . . . 209 ARG N . 26609 1 963 . 1 1 210 210 VAL H H 1 9.252 0.020 . 1 . . . . 210 VAL H . 26609 1 964 . 1 1 210 210 VAL C C 13 171.638 0.300 . 1 . . . . 210 VAL C . 26609 1 965 . 1 1 210 210 VAL CA C 13 59.871 0.300 . 1 . . . . 210 VAL CA . 26609 1 966 . 1 1 210 210 VAL CB C 13 34.035 0.300 . 1 . . . . 210 VAL CB . 26609 1 967 . 1 1 210 210 VAL N N 15 127.208 0.300 . 1 . . . . 210 VAL N . 26609 1 968 . 1 1 211 211 GLU H H 1 7.736 0.020 . 1 . . . . 211 GLU H . 26609 1 969 . 1 1 211 211 GLU C C 13 175.004 0.300 . 1 . . . . 211 GLU C . 26609 1 970 . 1 1 211 211 GLU CA C 13 53.133 0.300 . 1 . . . . 211 GLU CA . 26609 1 971 . 1 1 211 211 GLU CB C 13 32.108 0.300 . 1 . . . . 211 GLU CB . 26609 1 972 . 1 1 211 211 GLU N N 15 123.475 0.300 . 1 . . . . 211 GLU N . 26609 1 973 . 1 1 212 212 TRP H H 1 9.582 0.020 . 1 . . . . 212 TRP H . 26609 1 974 . 1 1 212 212 TRP C C 13 174.136 0.300 . 1 . . . . 212 TRP C . 26609 1 975 . 1 1 212 212 TRP CA C 13 57.844 0.300 . 1 . . . . 212 TRP CA . 26609 1 976 . 1 1 212 212 TRP CB C 13 31.145 0.300 . 1 . . . . 212 TRP CB . 26609 1 977 . 1 1 212 212 TRP N N 15 124.721 0.300 . 1 . . . . 212 TRP N . 26609 1 978 . 1 1 213 213 HIS H H 1 7.923 0.020 . 1 . . . . 213 HIS H . 26609 1 979 . 1 1 213 213 HIS C C 13 172.866 0.300 . 1 . . . . 213 HIS C . 26609 1 980 . 1 1 213 213 HIS CA C 13 55.397 0.300 . 1 . . . . 213 HIS CA . 26609 1 981 . 1 1 213 213 HIS CB C 13 30.473 0.300 . 1 . . . . 213 HIS CB . 26609 1 982 . 1 1 213 213 HIS N N 15 118.909 0.300 . 1 . . . . 213 HIS N . 26609 1 983 . 1 1 214 214 PHE H H 1 9.959 0.020 . 1 . . . . 214 PHE H . 26609 1 984 . 1 1 214 214 PHE C C 13 175.004 0.300 . 1 . . . . 214 PHE C . 26609 1 985 . 1 1 214 214 PHE CA C 13 56.811 0.300 . 1 . . . . 214 PHE CA . 26609 1 986 . 1 1 214 214 PHE CB C 13 39.517 0.300 . 1 . . . . 214 PHE CB . 26609 1 987 . 1 1 214 214 PHE N N 15 127.942 0.300 . 1 . . . . 214 PHE N . 26609 1 988 . 1 1 215 215 GLU H H 1 8.508 0.020 . 1 . . . . 215 GLU H . 26609 1 989 . 1 1 215 215 GLU C C 13 176.041 0.300 . 1 . . . . 215 GLU C . 26609 1 990 . 1 1 215 215 GLU CA C 13 55.968 0.300 . 1 . . . . 215 GLU CA . 26609 1 991 . 1 1 215 215 GLU CB C 13 30.034 0.300 . 1 . . . . 215 GLU CB . 26609 1 992 . 1 1 215 215 GLU N N 15 121.380 0.300 . 1 . . . . 215 GLU N . 26609 1 993 . 1 1 216 216 ASP H H 1 8.493 0.020 . 1 . . . . 216 ASP H . 26609 1 994 . 1 1 216 216 ASP C C 13 176.677 0.300 . 1 . . . . 216 ASP C . 26609 1 995 . 1 1 216 216 ASP CA C 13 53.792 0.300 . 1 . . . . 216 ASP CA . 26609 1 996 . 1 1 216 216 ASP CB C 13 40.777 0.300 . 1 . . . . 216 ASP CB . 26609 1 997 . 1 1 216 216 ASP N N 15 120.502 0.300 . 1 . . . . 216 ASP N . 26609 1 998 . 1 1 217 217 GLY H H 1 8.367 0.020 . 1 . . . . 217 GLY H . 26609 1 999 . 1 1 217 217 GLY C C 13 174.178 0.300 . 1 . . . . 217 GLY C . 26609 1 1000 . 1 1 217 217 GLY CA C 13 45.162 0.300 . 1 . . . . 217 GLY CA . 26609 1 1001 . 1 1 217 217 GLY N N 15 108.889 0.300 . 1 . . . . 217 GLY N . 26609 1 1002 . 1 1 218 218 LEU H H 1 8.039 0.020 . 1 . . . . 218 LEU H . 26609 1 1003 . 1 1 218 218 LEU C C 13 177.227 0.300 . 1 . . . . 218 LEU C . 26609 1 1004 . 1 1 218 218 LEU CA C 13 54.653 0.300 . 1 . . . . 218 LEU CA . 26609 1 1005 . 1 1 218 218 LEU CB C 13 41.221 0.300 . 1 . . . . 218 LEU CB . 26609 1 1006 . 1 1 218 218 LEU N N 15 120.893 0.300 . 1 . . . . 218 LEU N . 26609 1 1007 . 1 1 219 219 GLU H H 1 8.393 0.020 . 1 . . . . 219 GLU H . 26609 1 1008 . 1 1 219 219 GLU C C 13 176.232 0.300 . 1 . . . . 219 GLU C . 26609 1 1009 . 1 1 219 219 GLU CA C 13 56.340 0.300 . 1 . . . . 219 GLU CA . 26609 1 1010 . 1 1 219 219 GLU CB C 13 29.054 0.300 . 1 . . . . 219 GLU CB . 26609 1 1011 . 1 1 219 219 GLU N N 15 120.490 0.300 . 1 . . . . 219 GLU N . 26609 1 1012 . 1 1 220 220 HIS H H 1 8.224 0.020 . 1 . . . . 220 HIS H . 26609 1 1013 . 1 1 220 220 HIS C C 13 174.115 0.300 . 1 . . . . 220 HIS C . 26609 1 1014 . 1 1 220 220 HIS CA C 13 55.505 0.300 . 1 . . . . 220 HIS CA . 26609 1 1015 . 1 1 220 220 HIS CB C 13 29.664 0.300 . 1 . . . . 220 HIS CB . 26609 1 1016 . 1 1 220 220 HIS N N 15 119.628 0.300 . 1 . . . . 220 HIS N . 26609 1 1017 . 1 1 221 221 HIS H H 1 8.047 0.020 . 1 . . . . 221 HIS H . 26609 1 1018 . 1 1 221 221 HIS CA C 13 56.998 0.300 . 1 . . . . 221 HIS CA . 26609 1 1019 . 1 1 221 221 HIS CB C 13 29.886 0.300 . 1 . . . . 221 HIS CB . 26609 1 1020 . 1 1 221 221 HIS N N 15 125.210 0.300 . 1 . . . . 221 HIS N . 26609 1 stop_ save_