data_26608 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26608 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the active domains of the type II topoisomerases from Pseudomonas aeruginosa ; _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 . . . 26608 2 'Hui Qi' Ng . . . 26608 3 'Michelle Yueqi' Lee . . . 26608 4 Qiwei Huang . . . 26608 5 'Ying Lei' Wong . . . 26608 6 CongBao Kang . . . 26608 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26608 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 607 26608 '15N chemical shifts' 204 26608 '1H chemical shifts' 204 26608 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 . 26608 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26609 'active domains of the type II topoisomerases (with a bis-pyridylurea inhibitor)' 26608 BMRB 26610 'active domains of the type II topoisomerases (step free form)' 26608 BMRB 26611 'active domains of the type II topoisomerases (with a bis-pyridylurea inhibitor)' 26608 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26608 _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 . . . 26608 1 2 Yan Li . . . 26608 1 3 Joseph Cherian . . . 26608 1 4 Boping Liu . . . 26608 1 5 'Hui Qi' Ng . . . 26608 1 6 'Michelle Yueqi' Lee . . . 26608 1 7 'Zhi Ying' Poh . . . 26608 1 8 'Yun Xuan' Wong . . . 26608 1 9 Qiwei Huang . . . 26608 1 10 'Ying Lei' Wong . . . 26608 1 11 Alvin Hung . . . 26608 1 12 Jeffrey Hill . . . 26608 1 13 'Thomas H' Keller . . . 26608 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 26608 1 antibacterial 26608 1 'drug discovery' 26608 1 'drug resistance' 26608 1 'structure-based drug design' 26608 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26608 _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 . . native no no . . . 26608 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 26608 _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 . 26608 1 2 2 ALA . 26608 1 3 3 THR . 26608 1 4 4 TYR . 26608 1 5 5 ASN . 26608 1 6 6 ALA . 26608 1 7 7 ASP . 26608 1 8 8 ALA . 26608 1 9 9 ILE . 26608 1 10 10 GLU . 26608 1 11 11 VAL . 26608 1 12 12 LEU . 26608 1 13 13 SER . 26608 1 14 14 GLY . 26608 1 15 15 LEU . 26608 1 16 16 ASP . 26608 1 17 17 PRO . 26608 1 18 18 VAL . 26608 1 19 19 ARG . 26608 1 20 20 LYS . 26608 1 21 21 ARG . 26608 1 22 22 PRO . 26608 1 23 23 GLY . 26608 1 24 24 MET . 26608 1 25 25 TYR . 26608 1 26 26 THR . 26608 1 27 27 ASP . 26608 1 28 28 THR . 26608 1 29 29 THR . 26608 1 30 30 ARG . 26608 1 31 31 PRO . 26608 1 32 32 ASN . 26608 1 33 33 HIS . 26608 1 34 34 LEU . 26608 1 35 35 ALA . 26608 1 36 36 GLN . 26608 1 37 37 GLU . 26608 1 38 38 VAL . 26608 1 39 39 ILE . 26608 1 40 40 ASP . 26608 1 41 41 ASN . 26608 1 42 42 SER . 26608 1 43 43 VAL . 26608 1 44 44 ASP . 26608 1 45 45 GLU . 26608 1 46 46 ALA . 26608 1 47 47 LEU . 26608 1 48 48 ALA . 26608 1 49 49 GLY . 26608 1 50 50 HIS . 26608 1 51 51 ALA . 26608 1 52 52 LYS . 26608 1 53 53 SER . 26608 1 54 54 VAL . 26608 1 55 55 GLN . 26608 1 56 56 VAL . 26608 1 57 57 ILE . 26608 1 58 58 LEU . 26608 1 59 59 HIS . 26608 1 60 60 GLN . 26608 1 61 61 ASP . 26608 1 62 62 ASN . 26608 1 63 63 SER . 26608 1 64 64 LEU . 26608 1 65 65 GLU . 26608 1 66 66 VAL . 26608 1 67 67 ILE . 26608 1 68 68 ASP . 26608 1 69 69 ASP . 26608 1 70 70 GLY . 26608 1 71 71 ARG . 26608 1 72 72 GLY . 26608 1 73 73 MET . 26608 1 74 74 PRO . 26608 1 75 75 VAL . 26608 1 76 76 ASP . 26608 1 77 77 ILE . 26608 1 78 78 HIS . 26608 1 79 79 PRO . 26608 1 80 80 GLU . 26608 1 81 81 GLU . 26608 1 82 82 GLY . 26608 1 83 83 VAL . 26608 1 84 84 PRO . 26608 1 85 85 GLY . 26608 1 86 86 VAL . 26608 1 87 87 GLU . 26608 1 88 88 LEU . 26608 1 89 89 ILE . 26608 1 90 90 LEU . 26608 1 91 91 THR . 26608 1 92 92 LYS . 26608 1 93 93 LEU . 26608 1 94 94 HIS . 26608 1 95 95 ALA . 26608 1 96 96 GLY . 26608 1 97 97 GLY . 26608 1 98 98 LYS . 26608 1 99 99 PHE . 26608 1 100 100 SER . 26608 1 101 101 ASN . 26608 1 102 102 LYS . 26608 1 103 103 ASN . 26608 1 104 104 TYR . 26608 1 105 105 GLN . 26608 1 106 106 PHE . 26608 1 107 107 SER . 26608 1 108 108 GLY . 26608 1 109 109 GLY . 26608 1 110 110 LEU . 26608 1 111 111 HIS . 26608 1 112 112 GLY . 26608 1 113 113 VAL . 26608 1 114 114 GLY . 26608 1 115 115 ILE . 26608 1 116 116 SER . 26608 1 117 117 VAL . 26608 1 118 118 VAL . 26608 1 119 119 ASN . 26608 1 120 120 ALA . 26608 1 121 121 LEU . 26608 1 122 122 SER . 26608 1 123 123 THR . 26608 1 124 124 ARG . 26608 1 125 125 VAL . 26608 1 126 126 GLU . 26608 1 127 127 VAL . 26608 1 128 128 ARG . 26608 1 129 129 VAL . 26608 1 130 130 LYS . 26608 1 131 131 ARG . 26608 1 132 132 ASP . 26608 1 133 133 ALA . 26608 1 134 134 ASN . 26608 1 135 135 GLU . 26608 1 136 136 TYR . 26608 1 137 137 ARG . 26608 1 138 138 MET . 26608 1 139 139 THR . 26608 1 140 140 PHE . 26608 1 141 141 ALA . 26608 1 142 142 ASP . 26608 1 143 143 GLY . 26608 1 144 144 PHE . 26608 1 145 145 LYS . 26608 1 146 146 ASP . 26608 1 147 147 SER . 26608 1 148 148 ASP . 26608 1 149 149 LEU . 26608 1 150 150 GLU . 26608 1 151 151 VAL . 26608 1 152 152 ILE . 26608 1 153 153 GLY . 26608 1 154 154 THR . 26608 1 155 155 VAL . 26608 1 156 156 GLY . 26608 1 157 157 LYS . 26608 1 158 158 ARG . 26608 1 159 159 ASN . 26608 1 160 160 THR . 26608 1 161 161 GLY . 26608 1 162 162 THR . 26608 1 163 163 SER . 26608 1 164 164 VAL . 26608 1 165 165 HIS . 26608 1 166 166 PHE . 26608 1 167 167 TRP . 26608 1 168 168 PRO . 26608 1 169 169 ASP . 26608 1 170 170 PRO . 26608 1 171 171 LYS . 26608 1 172 172 TYR . 26608 1 173 173 PHE . 26608 1 174 174 ASP . 26608 1 175 175 SER . 26608 1 176 176 ALA . 26608 1 177 177 LYS . 26608 1 178 178 PHE . 26608 1 179 179 SER . 26608 1 180 180 VAL . 26608 1 181 181 SER . 26608 1 182 182 ARG . 26608 1 183 183 LEU . 26608 1 184 184 LYS . 26608 1 185 185 HIS . 26608 1 186 186 VAL . 26608 1 187 187 LEU . 26608 1 188 188 LYS . 26608 1 189 189 ALA . 26608 1 190 190 LYS . 26608 1 191 191 ALA . 26608 1 192 192 VAL . 26608 1 193 193 LEU . 26608 1 194 194 CYS . 26608 1 195 195 PRO . 26608 1 196 196 GLY . 26608 1 197 197 LEU . 26608 1 198 198 SER . 26608 1 199 199 VAL . 26608 1 200 200 VAL . 26608 1 201 201 PHE . 26608 1 202 202 GLU . 26608 1 203 203 ASP . 26608 1 204 204 LYS . 26608 1 205 205 ASN . 26608 1 206 206 THR . 26608 1 207 207 GLY . 26608 1 208 208 GLU . 26608 1 209 209 ARG . 26608 1 210 210 VAL . 26608 1 211 211 GLU . 26608 1 212 212 TRP . 26608 1 213 213 HIS . 26608 1 214 214 PHE . 26608 1 215 215 GLU . 26608 1 216 216 ASP . 26608 1 217 217 GLY . 26608 1 218 218 LEU . 26608 1 219 219 GLU . 26608 1 220 220 HIS . 26608 1 221 221 HIS . 26608 1 222 222 HIS . 26608 1 223 223 HIS . 26608 1 224 224 HIS . 26608 1 225 225 HIS . 26608 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 26608 1 . ALA 2 2 26608 1 . THR 3 3 26608 1 . TYR 4 4 26608 1 . ASN 5 5 26608 1 . ALA 6 6 26608 1 . ASP 7 7 26608 1 . ALA 8 8 26608 1 . ILE 9 9 26608 1 . GLU 10 10 26608 1 . VAL 11 11 26608 1 . LEU 12 12 26608 1 . SER 13 13 26608 1 . GLY 14 14 26608 1 . LEU 15 15 26608 1 . ASP 16 16 26608 1 . PRO 17 17 26608 1 . VAL 18 18 26608 1 . ARG 19 19 26608 1 . LYS 20 20 26608 1 . ARG 21 21 26608 1 . PRO 22 22 26608 1 . GLY 23 23 26608 1 . MET 24 24 26608 1 . TYR 25 25 26608 1 . THR 26 26 26608 1 . ASP 27 27 26608 1 . THR 28 28 26608 1 . THR 29 29 26608 1 . ARG 30 30 26608 1 . PRO 31 31 26608 1 . ASN 32 32 26608 1 . HIS 33 33 26608 1 . LEU 34 34 26608 1 . ALA 35 35 26608 1 . GLN 36 36 26608 1 . GLU 37 37 26608 1 . VAL 38 38 26608 1 . ILE 39 39 26608 1 . ASP 40 40 26608 1 . ASN 41 41 26608 1 . SER 42 42 26608 1 . VAL 43 43 26608 1 . ASP 44 44 26608 1 . GLU 45 45 26608 1 . ALA 46 46 26608 1 . LEU 47 47 26608 1 . ALA 48 48 26608 1 . GLY 49 49 26608 1 . HIS 50 50 26608 1 . ALA 51 51 26608 1 . LYS 52 52 26608 1 . SER 53 53 26608 1 . VAL 54 54 26608 1 . GLN 55 55 26608 1 . VAL 56 56 26608 1 . ILE 57 57 26608 1 . LEU 58 58 26608 1 . HIS 59 59 26608 1 . GLN 60 60 26608 1 . ASP 61 61 26608 1 . ASN 62 62 26608 1 . SER 63 63 26608 1 . LEU 64 64 26608 1 . GLU 65 65 26608 1 . VAL 66 66 26608 1 . ILE 67 67 26608 1 . ASP 68 68 26608 1 . ASP 69 69 26608 1 . GLY 70 70 26608 1 . ARG 71 71 26608 1 . GLY 72 72 26608 1 . MET 73 73 26608 1 . PRO 74 74 26608 1 . VAL 75 75 26608 1 . ASP 76 76 26608 1 . ILE 77 77 26608 1 . HIS 78 78 26608 1 . PRO 79 79 26608 1 . GLU 80 80 26608 1 . GLU 81 81 26608 1 . GLY 82 82 26608 1 . VAL 83 83 26608 1 . PRO 84 84 26608 1 . GLY 85 85 26608 1 . VAL 86 86 26608 1 . GLU 87 87 26608 1 . LEU 88 88 26608 1 . ILE 89 89 26608 1 . LEU 90 90 26608 1 . THR 91 91 26608 1 . LYS 92 92 26608 1 . LEU 93 93 26608 1 . HIS 94 94 26608 1 . ALA 95 95 26608 1 . GLY 96 96 26608 1 . GLY 97 97 26608 1 . LYS 98 98 26608 1 . PHE 99 99 26608 1 . SER 100 100 26608 1 . ASN 101 101 26608 1 . LYS 102 102 26608 1 . ASN 103 103 26608 1 . TYR 104 104 26608 1 . GLN 105 105 26608 1 . PHE 106 106 26608 1 . SER 107 107 26608 1 . GLY 108 108 26608 1 . GLY 109 109 26608 1 . LEU 110 110 26608 1 . HIS 111 111 26608 1 . GLY 112 112 26608 1 . VAL 113 113 26608 1 . GLY 114 114 26608 1 . ILE 115 115 26608 1 . SER 116 116 26608 1 . VAL 117 117 26608 1 . VAL 118 118 26608 1 . ASN 119 119 26608 1 . ALA 120 120 26608 1 . LEU 121 121 26608 1 . SER 122 122 26608 1 . THR 123 123 26608 1 . ARG 124 124 26608 1 . VAL 125 125 26608 1 . GLU 126 126 26608 1 . VAL 127 127 26608 1 . ARG 128 128 26608 1 . VAL 129 129 26608 1 . LYS 130 130 26608 1 . ARG 131 131 26608 1 . ASP 132 132 26608 1 . ALA 133 133 26608 1 . ASN 134 134 26608 1 . GLU 135 135 26608 1 . TYR 136 136 26608 1 . ARG 137 137 26608 1 . MET 138 138 26608 1 . THR 139 139 26608 1 . PHE 140 140 26608 1 . ALA 141 141 26608 1 . ASP 142 142 26608 1 . GLY 143 143 26608 1 . PHE 144 144 26608 1 . LYS 145 145 26608 1 . ASP 146 146 26608 1 . SER 147 147 26608 1 . ASP 148 148 26608 1 . LEU 149 149 26608 1 . GLU 150 150 26608 1 . VAL 151 151 26608 1 . ILE 152 152 26608 1 . GLY 153 153 26608 1 . THR 154 154 26608 1 . VAL 155 155 26608 1 . GLY 156 156 26608 1 . LYS 157 157 26608 1 . ARG 158 158 26608 1 . ASN 159 159 26608 1 . THR 160 160 26608 1 . GLY 161 161 26608 1 . THR 162 162 26608 1 . SER 163 163 26608 1 . VAL 164 164 26608 1 . HIS 165 165 26608 1 . PHE 166 166 26608 1 . TRP 167 167 26608 1 . PRO 168 168 26608 1 . ASP 169 169 26608 1 . PRO 170 170 26608 1 . LYS 171 171 26608 1 . TYR 172 172 26608 1 . PHE 173 173 26608 1 . ASP 174 174 26608 1 . SER 175 175 26608 1 . ALA 176 176 26608 1 . LYS 177 177 26608 1 . PHE 178 178 26608 1 . SER 179 179 26608 1 . VAL 180 180 26608 1 . SER 181 181 26608 1 . ARG 182 182 26608 1 . LEU 183 183 26608 1 . LYS 184 184 26608 1 . HIS 185 185 26608 1 . VAL 186 186 26608 1 . LEU 187 187 26608 1 . LYS 188 188 26608 1 . ALA 189 189 26608 1 . LYS 190 190 26608 1 . ALA 191 191 26608 1 . VAL 192 192 26608 1 . LEU 193 193 26608 1 . CYS 194 194 26608 1 . PRO 195 195 26608 1 . GLY 196 196 26608 1 . LEU 197 197 26608 1 . SER 198 198 26608 1 . VAL 199 199 26608 1 . VAL 200 200 26608 1 . PHE 201 201 26608 1 . GLU 202 202 26608 1 . ASP 203 203 26608 1 . LYS 204 204 26608 1 . ASN 205 205 26608 1 . THR 206 206 26608 1 . GLY 207 207 26608 1 . GLU 208 208 26608 1 . ARG 209 209 26608 1 . VAL 210 210 26608 1 . GLU 211 211 26608 1 . TRP 212 212 26608 1 . HIS 213 213 26608 1 . PHE 214 214 26608 1 . GLU 215 215 26608 1 . ASP 216 216 26608 1 . GLY 217 217 26608 1 . LEU 218 218 26608 1 . GLU 219 219 26608 1 . HIS 220 220 26608 1 . HIS 221 221 26608 1 . HIS 222 222 26608 1 . HIS 223 223 26608 1 . HIS 224 224 26608 1 . HIS 225 225 26608 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26608 _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 . . . . . . . . . . . . . 26608 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 26608 _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 . . . 26608 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26608 _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 . . . . 26608 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 26608 1 3 'potassium chloride' 'natural abundance' . . . . . . 180 . . mM . . . . 26608 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 26608 1 5 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 26608 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26608 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26608 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 26608 _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 26608 1 pH 6.5 . pH 26608 1 pressure 1 . atm 26608 1 temperature 298 . K 26608 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 26608 _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' . . 26608 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26608 1 'Johnson, One Moon Scientific' . . 26608 1 'Keller and Wuthrich' . . 26608 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26608 1 processing 26608 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 26608 _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 26608 _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 . . . 26608 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 26608 _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 . . . . . . . . . . . . . . . . 26608 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26608 1 3 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26608 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26608 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26608 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26608 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26608 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26608 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 26608 _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 . . . . . . . . . 26608 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 26608 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 26608 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 26608 _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' . . . 26608 1 2 '3D HNCACB' . . . 26608 1 4 '3D HNCA' . . . 26608 1 6 '3D HNCO' . . . 26608 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 8.350 0.020 . 1 . . . . 4 TYR H . 26608 1 2 . 1 1 4 4 TYR C C 13 174.969 0.300 . 1 . . . . 4 TYR C . 26608 1 3 . 1 1 4 4 TYR CA C 13 57.256 0.300 . 1 . . . . 4 TYR CA . 26608 1 4 . 1 1 4 4 TYR CB C 13 38.258 0.300 . 1 . . . . 4 TYR CB . 26608 1 5 . 1 1 4 4 TYR N N 15 123.129 0.300 . 1 . . . . 4 TYR N . 26608 1 6 . 1 1 5 5 ASN H H 1 8.300 0.020 . 1 . . . . 5 ASN H . 26608 1 7 . 1 1 5 5 ASN C C 13 175.087 0.300 . 1 . . . . 5 ASN C . 26608 1 8 . 1 1 5 5 ASN CA C 13 52.218 0.300 . 1 . . . . 5 ASN CA . 26608 1 9 . 1 1 5 5 ASN CB C 13 38.188 0.300 . 1 . . . . 5 ASN CB . 26608 1 10 . 1 1 5 5 ASN N N 15 121.958 0.300 . 1 . . . . 5 ASN N . 26608 1 11 . 1 1 6 6 ALA H H 1 8.294 0.020 . 1 . . . . 6 ALA H . 26608 1 12 . 1 1 6 6 ALA C C 13 177.543 0.300 . 1 . . . . 6 ALA C . 26608 1 13 . 1 1 6 6 ALA CA C 13 52.619 0.300 . 1 . . . . 6 ALA CA . 26608 1 14 . 1 1 6 6 ALA CB C 13 18.106 0.300 . 1 . . . . 6 ALA CB . 26608 1 15 . 1 1 6 6 ALA N N 15 124.934 0.300 . 1 . . . . 6 ALA N . 26608 1 16 . 1 1 7 7 ASP H H 1 8.146 0.020 . 1 . . . . 7 ASP H . 26608 1 17 . 1 1 7 7 ASP C C 13 175.934 0.300 . 1 . . . . 7 ASP C . 26608 1 18 . 1 1 7 7 ASP CA C 13 54.136 0.300 . 1 . . . . 7 ASP CA . 26608 1 19 . 1 1 7 7 ASP CB C 13 40.332 0.300 . 1 . . . . 7 ASP CB . 26608 1 20 . 1 1 7 7 ASP N N 15 117.778 0.300 . 1 . . . . 7 ASP N . 26608 1 21 . 1 1 8 8 ALA H H 1 7.881 0.020 . 1 . . . . 8 ALA H . 26608 1 22 . 1 1 8 8 ALA C C 13 177.503 0.300 . 1 . . . . 8 ALA C . 26608 1 23 . 1 1 8 8 ALA CA C 13 51.989 0.300 . 1 . . . . 8 ALA CA . 26608 1 24 . 1 1 8 8 ALA CB C 13 18.180 0.300 . 1 . . . . 8 ALA CB . 26608 1 25 . 1 1 8 8 ALA N N 15 123.089 0.300 . 1 . . . . 8 ALA N . 26608 1 26 . 1 1 9 9 ILE H H 1 7.959 0.020 . 1 . . . . 9 ILE H . 26608 1 27 . 1 1 9 9 ILE C C 13 176.305 0.300 . 1 . . . . 9 ILE C . 26608 1 28 . 1 1 9 9 ILE CA C 13 60.748 0.300 . 1 . . . . 9 ILE CA . 26608 1 29 . 1 1 9 9 ILE CB C 13 37.591 0.300 . 1 . . . . 9 ILE CB . 26608 1 30 . 1 1 9 9 ILE N N 15 119.541 0.300 . 1 . . . . 9 ILE N . 26608 1 31 . 1 1 10 10 GLU H H 1 8.408 0.020 . 1 . . . . 10 GLU H . 26608 1 32 . 1 1 10 10 GLU C C 13 176.265 0.300 . 1 . . . . 10 GLU C . 26608 1 33 . 1 1 10 10 GLU CA C 13 56.082 0.300 . 1 . . . . 10 GLU CA . 26608 1 34 . 1 1 10 10 GLU CB C 13 29.441 0.300 . 1 . . . . 10 GLU CB . 26608 1 35 . 1 1 10 10 GLU N N 15 124.814 0.300 . 1 . . . . 10 GLU N . 26608 1 36 . 1 1 11 11 VAL H H 1 8.224 0.020 . 1 . . . . 11 VAL H . 26608 1 37 . 1 1 11 11 VAL C C 13 176.200 0.300 . 1 . . . . 11 VAL C . 26608 1 38 . 1 1 11 11 VAL CA C 13 61.950 0.300 . 1 . . . . 11 VAL CA . 26608 1 39 . 1 1 11 11 VAL CB C 13 31.516 0.300 . 1 . . . . 11 VAL CB . 26608 1 40 . 1 1 11 11 VAL N N 15 122.264 0.300 . 1 . . . . 11 VAL N . 26608 1 41 . 1 1 12 12 LEU H H 1 8.400 0.020 . 1 . . . . 12 LEU H . 26608 1 42 . 1 1 12 12 LEU C C 13 176.931 0.300 . 1 . . . . 12 LEU C . 26608 1 43 . 1 1 12 12 LEU CA C 13 54.307 0.300 . 1 . . . . 12 LEU CA . 26608 1 44 . 1 1 12 12 LEU CB C 13 41.518 0.300 . 1 . . . . 12 LEU CB . 26608 1 45 . 1 1 12 12 LEU N N 15 125.634 0.300 . 1 . . . . 12 LEU N . 26608 1 46 . 1 1 13 13 SER H H 1 8.612 0.020 . 1 . . . . 13 SER H . 26608 1 47 . 1 1 13 13 SER C C 13 175.004 0.300 . 1 . . . . 13 SER C . 26608 1 48 . 1 1 13 13 SER CA C 13 57.284 0.300 . 1 . . . . 13 SER CA . 26608 1 49 . 1 1 13 13 SER CB C 13 64.189 0.300 . 1 . . . . 13 SER CB . 26608 1 50 . 1 1 13 13 SER N N 15 116.247 0.300 . 1 . . . . 13 SER N . 26608 1 51 . 1 1 14 14 GLY H H 1 8.484 0.020 . 1 . . . . 14 GLY H . 26608 1 52 . 1 1 14 14 GLY C C 13 174.397 0.300 . 1 . . . . 14 GLY C . 26608 1 53 . 1 1 14 14 GLY CA C 13 45.835 0.300 . 1 . . . . 14 GLY CA . 26608 1 54 . 1 1 14 14 GLY N N 15 110.513 0.300 . 1 . . . . 14 GLY N . 26608 1 55 . 1 1 15 15 LEU H H 1 8.350 0.020 . 1 . . . . 15 LEU H . 26608 1 56 . 1 1 15 15 LEU C C 13 178.180 0.300 . 1 . . . . 15 LEU C . 26608 1 57 . 1 1 15 15 LEU CA C 13 53.592 0.300 . 1 . . . . 15 LEU CA . 26608 1 58 . 1 1 15 15 LEU CB C 13 41.149 0.300 . 1 . . . . 15 LEU CB . 26608 1 59 . 1 1 15 15 LEU N N 15 118.001 0.300 . 1 . . . . 15 LEU N . 26608 1 60 . 1 1 16 16 ASP H H 1 8.228 0.020 . 1 . . . . 16 ASP H . 26608 1 61 . 1 1 16 16 ASP CA C 13 58.401 0.300 . 1 . . . . 16 ASP CA . 26608 1 62 . 1 1 16 16 ASP CB C 13 39.947 0.300 . 1 . . . . 16 ASP CB . 26608 1 63 . 1 1 16 16 ASP N N 15 121.791 0.300 . 1 . . . . 16 ASP N . 26608 1 64 . 1 1 17 17 PRO C C 13 178.066 0.300 . 1 . . . . 17 PRO C . 26608 1 65 . 1 1 18 18 VAL H H 1 6.698 0.020 . 1 . . . . 18 VAL H . 26608 1 66 . 1 1 18 18 VAL C C 13 175.904 0.300 . 1 . . . . 18 VAL C . 26608 1 67 . 1 1 18 18 VAL CA C 13 63.283 0.300 . 1 . . . . 18 VAL CA . 26608 1 68 . 1 1 18 18 VAL N N 15 114.004 0.300 . 1 . . . . 18 VAL N . 26608 1 69 . 1 1 19 19 ARG H H 1 6.715 0.020 . 1 . . . . 19 ARG H . 26608 1 70 . 1 1 19 19 ARG C C 13 178.349 0.300 . 1 . . . . 19 ARG C . 26608 1 71 . 1 1 19 19 ARG CA C 13 56.052 0.300 . 1 . . . . 19 ARG CA . 26608 1 72 . 1 1 19 19 ARG N N 15 112.767 0.300 . 1 . . . . 19 ARG N . 26608 1 73 . 1 1 20 20 LYS H H 1 7.787 0.020 . 1 . . . . 20 LYS H . 26608 1 74 . 1 1 20 20 LYS C C 13 177.777 0.300 . 1 . . . . 20 LYS C . 26608 1 75 . 1 1 20 20 LYS CA C 13 56.941 0.300 . 1 . . . . 20 LYS CA . 26608 1 76 . 1 1 20 20 LYS CB C 13 32.242 0.300 . 1 . . . . 20 LYS CB . 26608 1 77 . 1 1 20 20 LYS N N 15 113.896 0.300 . 1 . . . . 20 LYS N . 26608 1 78 . 1 1 21 21 ARG H H 1 7.141 0.020 . 1 . . . . 21 ARG H . 26608 1 79 . 1 1 21 21 ARG CA C 13 52.933 0.300 . 1 . . . . 21 ARG CA . 26608 1 80 . 1 1 21 21 ARG CB C 13 29.664 0.300 . 1 . . . . 21 ARG CB . 26608 1 81 . 1 1 21 21 ARG N N 15 116.752 0.300 . 1 . . . . 21 ARG N . 26608 1 82 . 1 1 22 22 PRO CA C 13 65.462 0.300 . 1 . . . . 22 PRO CA . 26608 1 83 . 1 1 23 23 GLY H H 1 8.617 0.020 . 1 . . . . 23 GLY H . 26608 1 84 . 1 1 23 23 GLY C C 13 175.401 0.300 . 1 . . . . 23 GLY C . 26608 1 85 . 1 1 23 23 GLY CA C 13 45.348 0.300 . 1 . . . . 23 GLY CA . 26608 1 86 . 1 1 23 23 GLY N N 15 103.267 0.300 . 1 . . . . 23 GLY N . 26608 1 87 . 1 1 24 24 MET H H 1 7.859 0.020 . 1 . . . . 24 MET H . 26608 1 88 . 1 1 24 24 MET C C 13 175.691 0.300 . 1 . . . . 24 MET C . 26608 1 89 . 1 1 24 24 MET CA C 13 55.395 0.300 . 1 . . . . 24 MET CA . 26608 1 90 . 1 1 24 24 MET CB C 13 31.071 0.300 . 1 . . . . 24 MET CB . 26608 1 91 . 1 1 24 24 MET N N 15 116.925 0.300 . 1 . . . . 24 MET N . 26608 1 92 . 1 1 25 25 TYR H H 1 7.842 0.020 . 1 . . . . 25 TYR H . 26608 1 93 . 1 1 25 25 TYR C C 13 173.568 0.300 . 1 . . . . 25 TYR C . 26608 1 94 . 1 1 25 25 TYR CA C 13 58.715 0.300 . 1 . . . . 25 TYR CA . 26608 1 95 . 1 1 25 25 TYR N N 15 115.746 0.300 . 1 . . . . 25 TYR N . 26608 1 96 . 1 1 26 26 THR H H 1 7.983 0.020 . 1 . . . . 26 THR H . 26608 1 97 . 1 1 26 26 THR C C 13 171.828 0.300 . 1 . . . . 26 THR C . 26608 1 98 . 1 1 26 26 THR CA C 13 58.916 0.300 . 1 . . . . 26 THR CA . 26608 1 99 . 1 1 26 26 THR CB C 13 69.301 0.300 . 1 . . . . 26 THR CB . 26608 1 100 . 1 1 26 26 THR N N 15 112.765 0.300 . 1 . . . . 26 THR N . 26608 1 101 . 1 1 27 27 ASP H H 1 6.949 0.020 . 1 . . . . 27 ASP H . 26608 1 102 . 1 1 27 27 ASP C C 13 175.936 0.300 . 1 . . . . 27 ASP C . 26608 1 103 . 1 1 27 27 ASP CA C 13 51.932 0.300 . 1 . . . . 27 ASP CA . 26608 1 104 . 1 1 27 27 ASP CB C 13 41.073 0.300 . 1 . . . . 27 ASP CB . 26608 1 105 . 1 1 27 27 ASP N N 15 120.264 0.300 . 1 . . . . 27 ASP N . 26608 1 106 . 1 1 28 28 THR H H 1 8.171 0.020 . 1 . . . . 28 THR H . 26608 1 107 . 1 1 28 28 THR C C 13 175.401 0.300 . 1 . . . . 28 THR C . 26608 1 108 . 1 1 28 28 THR CA C 13 61.721 0.300 . 1 . . . . 28 THR CA . 26608 1 109 . 1 1 28 28 THR CB C 13 67.227 0.300 . 1 . . . . 28 THR CB . 26608 1 110 . 1 1 28 28 THR N N 15 112.689 0.300 . 1 . . . . 28 THR N . 26608 1 111 . 1 1 29 29 THR H H 1 8.816 0.020 . 1 . . . . 29 THR H . 26608 1 112 . 1 1 29 29 THR C C 13 175.385 0.300 . 1 . . . . 29 THR C . 26608 1 113 . 1 1 29 29 THR CA C 13 65.871 0.300 . 1 . . . . 29 THR CA . 26608 1 114 . 1 1 29 29 THR CB C 13 68.783 0.300 . 1 . . . . 29 THR CB . 26608 1 115 . 1 1 29 29 THR N N 15 117.444 0.300 . 1 . . . . 29 THR N . 26608 1 116 . 1 1 30 30 ARG H H 1 7.517 0.020 . 1 . . . . 30 ARG H . 26608 1 117 . 1 1 30 30 ARG C C 13 175.892 0.300 . 1 . . . . 30 ARG C . 26608 1 118 . 1 1 30 30 ARG CA C 13 53.735 0.300 . 1 . . . . 30 ARG CA . 26608 1 119 . 1 1 30 30 ARG CB C 13 29.441 0.300 . 1 . . . . 30 ARG CB . 26608 1 120 . 1 1 30 30 ARG N N 15 114.385 0.300 . 1 . . . . 30 ARG N . 26608 1 121 . 1 1 31 31 PRO C C 13 175.936 0.300 . 1 . . . . 31 PRO C . 26608 1 122 . 1 1 31 31 PRO CA C 13 63.802 0.300 . 1 . . . . 31 PRO CA . 26608 1 123 . 1 1 31 31 PRO CB C 13 28.689 0.300 . 1 . . . . 31 PRO CB . 26608 1 124 . 1 1 32 32 ASN H H 1 6.863 0.020 . 1 . . . . 32 ASN H . 26608 1 125 . 1 1 32 32 ASN C C 13 176.521 0.300 . 1 . . . . 32 ASN C . 26608 1 126 . 1 1 32 32 ASN CA C 13 59.107 0.300 . 1 . . . . 32 ASN CA . 26608 1 127 . 1 1 32 32 ASN CB C 13 37.443 0.300 . 1 . . . . 32 ASN CB . 26608 1 128 . 1 1 32 32 ASN N N 15 118.838 0.300 . 1 . . . . 32 ASN N . 26608 1 129 . 1 1 33 33 HIS H H 1 8.955 0.020 . 1 . . . . 33 HIS H . 26608 1 130 . 1 1 33 33 HIS C C 13 177.259 0.300 . 1 . . . . 33 HIS C . 26608 1 131 . 1 1 33 33 HIS CA C 13 60.778 0.300 . 1 . . . . 33 HIS CA . 26608 1 132 . 1 1 33 33 HIS CB C 13 29.145 0.300 . 1 . . . . 33 HIS CB . 26608 1 133 . 1 1 33 33 HIS N N 15 121.612 0.300 . 1 . . . . 33 HIS N . 26608 1 134 . 1 1 34 34 LEU H H 1 7.745 0.020 . 1 . . . . 34 LEU H . 26608 1 135 . 1 1 34 34 LEU C C 13 179.035 0.300 . 1 . . . . 34 LEU C . 26608 1 136 . 1 1 34 34 LEU CA C 13 57.574 0.300 . 1 . . . . 34 LEU CA . 26608 1 137 . 1 1 34 34 LEU CB C 13 40.184 0.300 . 1 . . . . 34 LEU CB . 26608 1 138 . 1 1 34 34 LEU N N 15 118.455 0.300 . 1 . . . . 34 LEU N . 26608 1 139 . 1 1 35 35 ALA H H 1 7.533 0.020 . 1 . . . . 35 ALA H . 26608 1 140 . 1 1 35 35 ALA C C 13 178.967 0.300 . 1 . . . . 35 ALA C . 26608 1 141 . 1 1 35 35 ALA CA C 13 54.880 0.300 . 1 . . . . 35 ALA CA . 26608 1 142 . 1 1 35 35 ALA CB C 13 18.254 0.300 . 1 . . . . 35 ALA CB . 26608 1 143 . 1 1 35 35 ALA N N 15 115.769 0.300 . 1 . . . . 35 ALA N . 26608 1 144 . 1 1 36 36 GLN H H 1 8.164 0.020 . 1 . . . . 36 GLN H . 26608 1 145 . 1 1 36 36 GLN C C 13 176.973 0.300 . 1 . . . . 36 GLN C . 26608 1 146 . 1 1 36 36 GLN CA C 13 59.059 0.300 . 1 . . . . 36 GLN CA . 26608 1 147 . 1 1 36 36 GLN CB C 13 27.044 0.300 . 1 . . . . 36 GLN CB . 26608 1 148 . 1 1 36 36 GLN N N 15 117.044 0.300 . 1 . . . . 36 GLN N . 26608 1 149 . 1 1 37 37 GLU H H 1 7.683 0.020 . 1 . . . . 37 GLU H . 26608 1 150 . 1 1 37 37 GLU C C 13 179.478 0.300 . 1 . . . . 37 GLU C . 26608 1 151 . 1 1 37 37 GLU CA C 13 58.630 0.300 . 1 . . . . 37 GLU CA . 26608 1 152 . 1 1 37 37 GLU CB C 13 28.182 0.300 . 1 . . . . 37 GLU CB . 26608 1 153 . 1 1 37 37 GLU N N 15 117.162 0.300 . 1 . . . . 37 GLU N . 26608 1 154 . 1 1 38 38 VAL H H 1 7.280 0.020 . 1 . . . . 38 VAL H . 26608 1 155 . 1 1 38 38 VAL C C 13 178.455 0.300 . 1 . . . . 38 VAL C . 26608 1 156 . 1 1 38 38 VAL CA C 13 65.985 0.300 . 1 . . . . 38 VAL CA . 26608 1 157 . 1 1 38 38 VAL CB C 13 31.083 0.300 . 1 . . . . 38 VAL CB . 26608 1 158 . 1 1 38 38 VAL N N 15 118.293 0.300 . 1 . . . . 38 VAL N . 26608 1 159 . 1 1 39 39 ILE H H 1 8.913 0.020 . 1 . . . . 39 ILE H . 26608 1 160 . 1 1 39 39 ILE C C 13 177.756 0.300 . 1 . . . . 39 ILE C . 26608 1 161 . 1 1 39 39 ILE CA C 13 65.728 0.300 . 1 . . . . 39 ILE CA . 26608 1 162 . 1 1 39 39 ILE CB C 13 37.517 0.300 . 1 . . . . 39 ILE CB . 26608 1 163 . 1 1 39 39 ILE N N 15 121.108 0.300 . 1 . . . . 39 ILE N . 26608 1 164 . 1 1 40 40 ASP H H 1 8.962 0.020 . 1 . . . . 40 ASP H . 26608 1 165 . 1 1 40 40 ASP C C 13 178.619 0.300 . 1 . . . . 40 ASP C . 26608 1 166 . 1 1 40 40 ASP CA C 13 57.513 0.300 . 1 . . . . 40 ASP CA . 26608 1 167 . 1 1 40 40 ASP CB C 13 38.702 0.300 . 1 . . . . 40 ASP CB . 26608 1 168 . 1 1 40 40 ASP N N 15 119.849 0.300 . 1 . . . . 40 ASP N . 26608 1 169 . 1 1 41 41 ASN H H 1 7.319 0.020 . 1 . . . . 41 ASN H . 26608 1 170 . 1 1 41 41 ASN C C 13 177.618 0.300 . 1 . . . . 41 ASN C . 26608 1 171 . 1 1 41 41 ASN CA C 13 56.855 0.300 . 1 . . . . 41 ASN CA . 26608 1 172 . 1 1 41 41 ASN CB C 13 38.406 0.300 . 1 . . . . 41 ASN CB . 26608 1 173 . 1 1 41 41 ASN N N 15 118.307 0.300 . 1 . . . . 41 ASN N . 26608 1 174 . 1 1 42 42 SER H H 1 7.732 0.020 . 1 . . . . 42 SER H . 26608 1 175 . 1 1 42 42 SER C C 13 176.465 0.300 . 1 . . . . 42 SER C . 26608 1 176 . 1 1 42 42 SER CA C 13 63.123 0.300 . 1 . . . . 42 SER CA . 26608 1 177 . 1 1 42 42 SER N N 15 117.399 0.300 . 1 . . . . 42 SER N . 26608 1 178 . 1 1 43 43 VAL H H 1 8.974 0.020 . 1 . . . . 43 VAL H . 26608 1 179 . 1 1 43 43 VAL C C 13 177.896 0.300 . 1 . . . . 43 VAL C . 26608 1 180 . 1 1 43 43 VAL CA C 13 65.814 0.300 . 1 . . . . 43 VAL CA . 26608 1 181 . 1 1 43 43 VAL CB C 13 29.699 0.300 . 1 . . . . 43 VAL CB . 26608 1 182 . 1 1 43 43 VAL N N 15 121.640 0.300 . 1 . . . . 43 VAL N . 26608 1 183 . 1 1 44 44 ASP H H 1 8.356 0.020 . 1 . . . . 44 ASP H . 26608 1 184 . 1 1 44 44 ASP C C 13 179.746 0.300 . 1 . . . . 44 ASP C . 26608 1 185 . 1 1 44 44 ASP CA C 13 57.914 0.300 . 1 . . . . 44 ASP CA . 26608 1 186 . 1 1 44 44 ASP CB C 13 39.147 0.300 . 1 . . . . 44 ASP CB . 26608 1 187 . 1 1 44 44 ASP N N 15 122.433 0.300 . 1 . . . . 44 ASP N . 26608 1 188 . 1 1 45 45 GLU H H 1 7.298 0.020 . 1 . . . . 45 GLU H . 26608 1 189 . 1 1 45 45 GLU C C 13 179.005 0.300 . 1 . . . . 45 GLU C . 26608 1 190 . 1 1 45 45 GLU CA C 13 57.932 0.300 . 1 . . . . 45 GLU CA . 26608 1 191 . 1 1 45 45 GLU CB C 13 29.699 0.300 . 1 . . . . 45 GLU CB . 26608 1 192 . 1 1 45 45 GLU N N 15 118.119 0.300 . 1 . . . . 45 GLU N . 26608 1 193 . 1 1 46 46 ALA H H 1 7.675 0.020 . 1 . . . . 46 ALA H . 26608 1 194 . 1 1 46 46 ALA C C 13 181.652 0.300 . 1 . . . . 46 ALA C . 26608 1 195 . 1 1 46 46 ALA CA C 13 54.279 0.300 . 1 . . . . 46 ALA CA . 26608 1 196 . 1 1 46 46 ALA CB C 13 19.513 0.300 . 1 . . . . 46 ALA CB . 26608 1 197 . 1 1 46 46 ALA N N 15 124.119 0.300 . 1 . . . . 46 ALA N . 26608 1 198 . 1 1 47 47 LEU H H 1 9.207 0.020 . 1 . . . . 47 LEU H . 26608 1 199 . 1 1 47 47 LEU C C 13 178.709 0.300 . 1 . . . . 47 LEU C . 26608 1 200 . 1 1 47 47 LEU CA C 13 57.370 0.300 . 1 . . . . 47 LEU CA . 26608 1 201 . 1 1 47 47 LEU CB C 13 40.481 0.300 . 1 . . . . 47 LEU CB . 26608 1 202 . 1 1 47 47 LEU N N 15 123.503 0.300 . 1 . . . . 47 LEU N . 26608 1 203 . 1 1 48 48 ALA H H 1 7.376 0.020 . 1 . . . . 48 ALA H . 26608 1 204 . 1 1 48 48 ALA C C 13 176.952 0.300 . 1 . . . . 48 ALA C . 26608 1 205 . 1 1 48 48 ALA CA C 13 51.788 0.300 . 1 . . . . 48 ALA CA . 26608 1 206 . 1 1 48 48 ALA CB C 13 18.624 0.300 . 1 . . . . 48 ALA CB . 26608 1 207 . 1 1 48 48 ALA N N 15 117.593 0.300 . 1 . . . . 48 ALA N . 26608 1 208 . 1 1 49 49 GLY H H 1 7.691 0.020 . 1 . . . . 49 GLY H . 26608 1 209 . 1 1 49 49 GLY C C 13 174.321 0.300 . 1 . . . . 49 GLY C . 26608 1 210 . 1 1 49 49 GLY CA C 13 44.432 0.300 . 1 . . . . 49 GLY CA . 26608 1 211 . 1 1 49 49 GLY N N 15 104.398 0.300 . 1 . . . . 49 GLY N . 26608 1 212 . 1 1 50 50 HIS H H 1 7.743 0.020 . 1 . . . . 50 HIS H . 26608 1 213 . 1 1 50 50 HIS C C 13 174.877 0.300 . 1 . . . . 50 HIS C . 26608 1 214 . 1 1 50 50 HIS CA C 13 56.569 0.300 . 1 . . . . 50 HIS CA . 26608 1 215 . 1 1 50 50 HIS CB C 13 31.886 0.300 . 1 . . . . 50 HIS CB . 26608 1 216 . 1 1 50 50 HIS N N 15 116.456 0.300 . 1 . . . . 50 HIS N . 26608 1 217 . 1 1 51 51 ALA H H 1 6.954 0.020 . 1 . . . . 51 ALA H . 26608 1 218 . 1 1 51 51 ALA C C 13 175.598 0.300 . 1 . . . . 51 ALA C . 26608 1 219 . 1 1 51 51 ALA CA C 13 50.729 0.300 . 1 . . . . 51 ALA CA . 26608 1 220 . 1 1 51 51 ALA CB C 13 19.661 0.300 . 1 . . . . 51 ALA CB . 26608 1 221 . 1 1 51 51 ALA N N 15 118.634 0.300 . 1 . . . . 51 ALA N . 26608 1 222 . 1 1 52 52 LYS H H 1 10.033 0.020 . 1 . . . . 52 LYS H . 26608 1 223 . 1 1 52 52 LYS C C 13 176.914 0.300 . 1 . . . . 52 LYS C . 26608 1 224 . 1 1 52 52 LYS CA C 13 55.762 0.300 . 1 . . . . 52 LYS CA . 26608 1 225 . 1 1 52 52 LYS CB C 13 30.849 0.300 . 1 . . . . 52 LYS CB . 26608 1 226 . 1 1 52 52 LYS N N 15 121.760 0.300 . 1 . . . . 52 LYS N . 26608 1 227 . 1 1 53 53 SER H H 1 9.421 0.020 . 1 . . . . 53 SER H . 26608 1 228 . 1 1 53 53 SER C C 13 172.837 0.300 . 1 . . . . 53 SER C . 26608 1 229 . 1 1 53 53 SER CA C 13 56.826 0.300 . 1 . . . . 53 SER CA . 26608 1 230 . 1 1 53 53 SER CB C 13 64.782 0.300 . 1 . . . . 53 SER CB . 26608 1 231 . 1 1 53 53 SER N N 15 120.357 0.300 . 1 . . . . 53 SER N . 26608 1 232 . 1 1 54 54 VAL H H 1 8.675 0.020 . 1 . . . . 54 VAL H . 26608 1 233 . 1 1 54 54 VAL C C 13 174.072 0.300 . 1 . . . . 54 VAL C . 26608 1 234 . 1 1 54 54 VAL CA C 13 60.519 0.300 . 1 . . . . 54 VAL CA . 26608 1 235 . 1 1 54 54 VAL CB C 13 34.850 0.300 . 1 . . . . 54 VAL CB . 26608 1 236 . 1 1 54 54 VAL N N 15 123.129 0.300 . 1 . . . . 54 VAL N . 26608 1 237 . 1 1 55 55 GLN H H 1 9.463 0.020 . 1 . . . . 55 GLN H . 26608 1 238 . 1 1 55 55 GLN C C 13 173.889 0.300 . 1 . . . . 55 GLN C . 26608 1 239 . 1 1 55 55 GLN CA C 13 53.105 0.300 . 1 . . . . 55 GLN CA . 26608 1 240 . 1 1 55 55 GLN CB C 13 31.219 0.300 . 1 . . . . 55 GLN CB . 26608 1 241 . 1 1 55 55 GLN N N 15 125.758 0.300 . 1 . . . . 55 GLN N . 26608 1 242 . 1 1 56 56 VAL H H 1 9.358 0.020 . 1 . . . . 56 VAL H . 26608 1 243 . 1 1 56 56 VAL C C 13 173.204 0.300 . 1 . . . . 56 VAL C . 26608 1 244 . 1 1 56 56 VAL CA C 13 60.605 0.300 . 1 . . . . 56 VAL CA . 26608 1 245 . 1 1 56 56 VAL CB C 13 32.553 0.300 . 1 . . . . 56 VAL CB . 26608 1 246 . 1 1 56 56 VAL N N 15 124.709 0.300 . 1 . . . . 56 VAL N . 26608 1 247 . 1 1 57 57 ILE H H 1 9.408 0.020 . 1 . . . . 57 ILE H . 26608 1 248 . 1 1 57 57 ILE C C 13 174.495 0.300 . 1 . . . . 57 ILE C . 26608 1 249 . 1 1 57 57 ILE CA C 13 58.801 0.300 . 1 . . . . 57 ILE CA . 26608 1 250 . 1 1 57 57 ILE CB C 13 39.888 0.300 . 1 . . . . 57 ILE CB . 26608 1 251 . 1 1 57 57 ILE N N 15 126.525 0.300 . 1 . . . . 57 ILE N . 26608 1 252 . 1 1 58 58 LEU H H 1 8.684 0.020 . 1 . . . . 58 LEU H . 26608 1 253 . 1 1 58 58 LEU C C 13 174.726 0.300 . 1 . . . . 58 LEU C . 26608 1 254 . 1 1 58 58 LEU CA C 13 52.981 0.300 . 1 . . . . 58 LEU CA . 26608 1 255 . 1 1 58 58 LEU CB C 13 42.703 0.300 . 1 . . . . 58 LEU CB . 26608 1 256 . 1 1 58 58 LEU N N 15 128.573 0.300 . 1 . . . . 58 LEU N . 26608 1 257 . 1 1 59 59 HIS H H 1 8.425 0.020 . 1 . . . . 59 HIS H . 26608 1 258 . 1 1 59 59 HIS C C 13 177.777 0.300 . 1 . . . . 59 HIS C . 26608 1 259 . 1 1 59 59 HIS CA C 13 57.313 0.300 . 1 . . . . 59 HIS CA . 26608 1 260 . 1 1 59 59 HIS CB C 13 32.998 0.300 . 1 . . . . 59 HIS CB . 26608 1 261 . 1 1 59 59 HIS N N 15 125.075 0.300 . 1 . . . . 59 HIS N . 26608 1 262 . 1 1 60 60 GLN H H 1 9.294 0.020 . 1 . . . . 60 GLN H . 26608 1 263 . 1 1 60 60 GLN C C 13 175.637 0.300 . 1 . . . . 60 GLN C . 26608 1 264 . 1 1 60 60 GLN CA C 13 57.456 0.300 . 1 . . . . 60 GLN CA . 26608 1 265 . 1 1 60 60 GLN CB C 13 27.589 0.300 . 1 . . . . 60 GLN CB . 26608 1 266 . 1 1 60 60 GLN N N 15 118.789 0.300 . 1 . . . . 60 GLN N . 26608 1 267 . 1 1 61 61 ASP H H 1 7.926 0.020 . 1 . . . . 61 ASP H . 26608 1 268 . 1 1 61 61 ASP C C 13 176.719 0.300 . 1 . . . . 61 ASP C . 26608 1 269 . 1 1 61 61 ASP CA C 13 52.017 0.300 . 1 . . . . 61 ASP CA . 26608 1 270 . 1 1 61 61 ASP CB C 13 38.628 0.300 . 1 . . . . 61 ASP CB . 26608 1 271 . 1 1 61 61 ASP N N 15 116.781 0.300 . 1 . . . . 61 ASP N . 26608 1 272 . 1 1 62 62 ASN H H 1 8.145 0.020 . 1 . . . . 62 ASN H . 26608 1 273 . 1 1 62 62 ASN C C 13 172.494 0.300 . 1 . . . . 62 ASN C . 26608 1 274 . 1 1 62 62 ASN CA C 13 55.371 0.300 . 1 . . . . 62 ASN CA . 26608 1 275 . 1 1 62 62 ASN CB C 13 37.072 0.300 . 1 . . . . 62 ASN CB . 26608 1 276 . 1 1 62 62 ASN N N 15 111.835 0.300 . 1 . . . . 62 ASN N . 26608 1 277 . 1 1 63 63 SER H H 1 7.552 0.020 . 1 . . . . 63 SER H . 26608 1 278 . 1 1 63 63 SER C C 13 171.193 0.300 . 1 . . . . 63 SER C . 26608 1 279 . 1 1 63 63 SER CA C 13 56.855 0.300 . 1 . . . . 63 SER CA . 26608 1 280 . 1 1 63 63 SER CB C 13 62.781 0.300 . 1 . . . . 63 SER CB . 26608 1 281 . 1 1 63 63 SER N N 15 112.003 0.300 . 1 . . . . 63 SER N . 26608 1 282 . 1 1 64 64 LEU H H 1 7.573 0.020 . 1 . . . . 64 LEU H . 26608 1 283 . 1 1 64 64 LEU C C 13 173.457 0.300 . 1 . . . . 64 LEU C . 26608 1 284 . 1 1 64 64 LEU CA C 13 52.179 0.300 . 1 . . . . 64 LEU CA . 26608 1 285 . 1 1 64 64 LEU CB C 13 45.000 0.300 . 1 . . . . 64 LEU CB . 26608 1 286 . 1 1 64 64 LEU N N 15 119.442 0.300 . 1 . . . . 64 LEU N . 26608 1 287 . 1 1 65 65 GLU H H 1 8.998 0.020 . 1 . . . . 65 GLU H . 26608 1 288 . 1 1 65 65 GLU C C 13 173.457 0.300 . 1 . . . . 65 GLU C . 26608 1 289 . 1 1 65 65 GLU CA C 13 53.120 0.300 . 1 . . . . 65 GLU CA . 26608 1 290 . 1 1 65 65 GLU CB C 13 29.886 0.300 . 1 . . . . 65 GLU CB . 26608 1 291 . 1 1 65 65 GLU N N 15 128.956 0.300 . 1 . . . . 65 GLU N . 26608 1 292 . 1 1 66 66 VAL H H 1 9.030 0.020 . 1 . . . . 66 VAL H . 26608 1 293 . 1 1 66 66 VAL CA C 13 60.776 0.300 . 1 . . . . 66 VAL CA . 26608 1 294 . 1 1 66 66 VAL CB C 13 32.923 0.300 . 1 . . . . 66 VAL CB . 26608 1 295 . 1 1 66 66 VAL N N 15 126.301 0.300 . 1 . . . . 66 VAL N . 26608 1 296 . 1 1 67 67 ILE H H 1 9.745 0.020 . 1 . . . . 67 ILE H . 26608 1 297 . 1 1 67 67 ILE C C 13 175.362 0.300 . 1 . . . . 67 ILE C . 26608 1 298 . 1 1 67 67 ILE CA C 13 60.083 0.300 . 1 . . . . 67 ILE CA . 26608 1 299 . 1 1 67 67 ILE CB C 13 41.444 0.300 . 1 . . . . 67 ILE CB . 26608 1 300 . 1 1 67 67 ILE N N 15 129.322 0.300 . 1 . . . . 67 ILE N . 26608 1 301 . 1 1 68 68 ASP H H 1 9.454 0.020 . 1 . . . . 68 ASP H . 26608 1 302 . 1 1 68 68 ASP C C 13 174.740 0.300 . 1 . . . . 68 ASP C . 26608 1 303 . 1 1 68 68 ASP CA C 13 52.447 0.300 . 1 . . . . 68 ASP CA . 26608 1 304 . 1 1 68 68 ASP CB C 13 45.445 0.300 . 1 . . . . 68 ASP CB . 26608 1 305 . 1 1 68 68 ASP N N 15 124.808 0.300 . 1 . . . . 68 ASP N . 26608 1 306 . 1 1 69 69 ASP H H 1 8.331 0.020 . 1 . . . . 69 ASP H . 26608 1 307 . 1 1 69 69 ASP C C 13 177.239 0.300 . 1 . . . . 69 ASP C . 26608 1 308 . 1 1 69 69 ASP CA C 13 52.046 0.300 . 1 . . . . 69 ASP CA . 26608 1 309 . 1 1 69 69 ASP CB C 13 38.777 0.300 . 1 . . . . 69 ASP CB . 26608 1 310 . 1 1 69 69 ASP N N 15 120.469 0.300 . 1 . . . . 69 ASP N . 26608 1 311 . 1 1 70 70 GLY H H 1 9.327 0.020 . 1 . . . . 70 GLY H . 26608 1 312 . 1 1 70 70 GLY C C 13 173.712 0.300 . 1 . . . . 70 GLY C . 26608 1 313 . 1 1 70 70 GLY CA C 13 43.802 0.300 . 1 . . . . 70 GLY CA . 26608 1 314 . 1 1 70 70 GLY N N 15 105.416 0.300 . 1 . . . . 70 GLY N . 26608 1 315 . 1 1 71 71 ARG H H 1 8.791 0.020 . 1 . . . . 71 ARG H . 26608 1 316 . 1 1 71 71 ARG C C 13 177.704 0.300 . 1 . . . . 71 ARG C . 26608 1 317 . 1 1 71 71 ARG CA C 13 57.914 0.300 . 1 . . . . 71 ARG CA . 26608 1 318 . 1 1 71 71 ARG CB C 13 30.404 0.300 . 1 . . . . 71 ARG CB . 26608 1 319 . 1 1 71 71 ARG N N 15 116.812 0.300 . 1 . . . . 71 ARG N . 26608 1 320 . 1 1 72 72 GLY H H 1 8.124 0.020 . 1 . . . . 72 GLY H . 26608 1 321 . 1 1 72 72 GLY C C 13 174.351 0.300 . 1 . . . . 72 GLY C . 26608 1 322 . 1 1 72 72 GLY CA C 13 42.944 0.300 . 1 . . . . 72 GLY CA . 26608 1 323 . 1 1 72 72 GLY N N 15 104.436 0.300 . 1 . . . . 72 GLY N . 26608 1 324 . 1 1 73 73 MET H H 1 7.019 0.020 . 1 . . . . 73 MET H . 26608 1 325 . 1 1 73 73 MET CA C 13 55.366 0.300 . 1 . . . . 73 MET CA . 26608 1 326 . 1 1 73 73 MET CB C 13 32.627 0.300 . 1 . . . . 73 MET CB . 26608 1 327 . 1 1 73 73 MET N N 15 126.648 0.300 . 1 . . . . 73 MET N . 26608 1 328 . 1 1 74 74 PRO C C 13 176.867 0.300 . 1 . . . . 74 PRO C . 26608 1 329 . 1 1 74 74 PRO CA C 13 63.017 0.300 . 1 . . . . 74 PRO CA . 26608 1 330 . 1 1 74 74 PRO CB C 13 31.348 0.300 . 1 . . . . 74 PRO CB . 26608 1 331 . 1 1 75 75 VAL H H 1 7.856 0.020 . 1 . . . . 75 VAL H . 26608 1 332 . 1 1 75 75 VAL C C 13 174.986 0.300 . 1 . . . . 75 VAL C . 26608 1 333 . 1 1 75 75 VAL CA C 13 59.946 0.300 . 1 . . . . 75 VAL CA . 26608 1 334 . 1 1 75 75 VAL CB C 13 30.849 0.300 . 1 . . . . 75 VAL CB . 26608 1 335 . 1 1 75 75 VAL N N 15 112.510 0.300 . 1 . . . . 75 VAL N . 26608 1 336 . 1 1 76 76 ASP H H 1 7.923 0.020 . 1 . . . . 76 ASP H . 26608 1 337 . 1 1 76 76 ASP C C 13 176.317 0.300 . 1 . . . . 76 ASP C . 26608 1 338 . 1 1 76 76 ASP CA C 13 53.186 0.300 . 1 . . . . 76 ASP CA . 26608 1 339 . 1 1 76 76 ASP CB C 13 40.334 0.300 . 1 . . . . 76 ASP CB . 26608 1 340 . 1 1 76 76 ASP N N 15 119.668 0.300 . 1 . . . . 76 ASP N . 26608 1 341 . 1 1 77 77 ILE H H 1 8.663 0.020 . 1 . . . . 77 ILE H . 26608 1 342 . 1 1 77 77 ILE CA C 13 59.631 0.300 . 1 . . . . 77 ILE CA . 26608 1 343 . 1 1 77 77 ILE CB C 13 35.368 0.300 . 1 . . . . 77 ILE CB . 26608 1 344 . 1 1 77 77 ILE N N 15 122.583 0.300 . 1 . . . . 77 ILE N . 26608 1 345 . 1 1 78 78 HIS H H 1 8.705 0.020 . 1 . . . . 78 HIS H . 26608 1 346 . 1 1 78 78 HIS CA C 13 55.196 0.300 . 1 . . . . 78 HIS CA . 26608 1 347 . 1 1 78 78 HIS N N 15 133.013 0.300 . 1 . . . . 78 HIS N . 26608 1 348 . 1 1 79 79 PRO C C 13 177.735 0.300 . 1 . . . . 79 PRO C . 26608 1 349 . 1 1 79 79 PRO CA C 13 64.581 0.300 . 1 . . . . 79 PRO CA . 26608 1 350 . 1 1 79 79 PRO CB C 13 31.814 0.300 . 1 . . . . 79 PRO CB . 26608 1 351 . 1 1 80 80 GLU H H 1 8.761 0.020 . 1 . . . . 80 GLU H . 26608 1 352 . 1 1 80 80 GLU C C 13 178.095 0.300 . 1 . . . . 80 GLU C . 26608 1 353 . 1 1 80 80 GLU CA C 13 57.456 0.300 . 1 . . . . 80 GLU CA . 26608 1 354 . 1 1 80 80 GLU CB C 13 30.308 0.300 . 1 . . . . 80 GLU CB . 26608 1 355 . 1 1 80 80 GLU N N 15 116.746 0.300 . 1 . . . . 80 GLU N . 26608 1 356 . 1 1 81 81 GLU H H 1 9.069 0.020 . 1 . . . . 81 GLU H . 26608 1 357 . 1 1 81 81 GLU C C 13 178.603 0.300 . 1 . . . . 81 GLU C . 26608 1 358 . 1 1 81 81 GLU CA C 13 56.540 0.300 . 1 . . . . 81 GLU CA . 26608 1 359 . 1 1 81 81 GLU CB C 13 29.676 0.300 . 1 . . . . 81 GLU CB . 26608 1 360 . 1 1 81 81 GLU N N 15 117.844 0.300 . 1 . . . . 81 GLU N . 26608 1 361 . 1 1 82 82 GLY H H 1 8.434 0.020 . 1 . . . . 82 GLY H . 26608 1 362 . 1 1 82 82 GLY C C 13 173.457 0.300 . 1 . . . . 82 GLY C . 26608 1 363 . 1 1 82 82 GLY CA C 13 46.092 0.300 . 1 . . . . 82 GLY CA . 26608 1 364 . 1 1 82 82 GLY N N 15 104.830 0.300 . 1 . . . . 82 GLY N . 26608 1 365 . 1 1 83 83 VAL H H 1 6.754 0.020 . 1 . . . . 83 VAL H . 26608 1 366 . 1 1 83 83 VAL CA C 13 56.798 0.300 . 1 . . . . 83 VAL CA . 26608 1 367 . 1 1 83 83 VAL CB C 13 31.522 0.300 . 1 . . . . 83 VAL CB . 26608 1 368 . 1 1 83 83 VAL N N 15 109.375 0.300 . 1 . . . . 83 VAL N . 26608 1 369 . 1 1 84 84 PRO C C 13 178.603 0.300 . 1 . . . . 84 PRO C . 26608 1 370 . 1 1 84 84 PRO CA C 13 62.099 0.300 . 1 . . . . 84 PRO CA . 26608 1 371 . 1 1 84 84 PRO CB C 13 31.812 0.300 . 1 . . . . 84 PRO CB . 26608 1 372 . 1 1 85 85 GLY H H 1 8.025 0.020 . 1 . . . . 85 GLY H . 26608 1 373 . 1 1 85 85 GLY C C 13 176.344 0.300 . 1 . . . . 85 GLY C . 26608 1 374 . 1 1 85 85 GLY CA C 13 48.674 0.300 . 1 . . . . 85 GLY CA . 26608 1 375 . 1 1 85 85 GLY N N 15 110.222 0.300 . 1 . . . . 85 GLY N . 26608 1 376 . 1 1 86 86 VAL H H 1 7.863 0.020 . 1 . . . . 86 VAL H . 26608 1 377 . 1 1 86 86 VAL C C 13 174.910 0.300 . 1 . . . . 86 VAL C . 26608 1 378 . 1 1 86 86 VAL CA C 13 64.240 0.300 . 1 . . . . 86 VAL CA . 26608 1 379 . 1 1 86 86 VAL CB C 13 31.018 0.300 . 1 . . . . 86 VAL CB . 26608 1 380 . 1 1 86 86 VAL N N 15 116.512 0.300 . 1 . . . . 86 VAL N . 26608 1 381 . 1 1 87 87 GLU H H 1 6.942 0.020 . 1 . . . . 87 GLU H . 26608 1 382 . 1 1 87 87 GLU C C 13 179.323 0.300 . 1 . . . . 87 GLU C . 26608 1 383 . 1 1 87 87 GLU CA C 13 59.407 0.300 . 1 . . . . 87 GLU CA . 26608 1 384 . 1 1 87 87 GLU CB C 13 27.292 0.300 . 1 . . . . 87 GLU CB . 26608 1 385 . 1 1 87 87 GLU N N 15 119.113 0.300 . 1 . . . . 87 GLU N . 26608 1 386 . 1 1 88 88 LEU H H 1 7.547 0.020 . 1 . . . . 88 LEU H . 26608 1 387 . 1 1 88 88 LEU C C 13 178.307 0.300 . 1 . . . . 88 LEU C . 26608 1 388 . 1 1 88 88 LEU CA C 13 57.570 0.300 . 1 . . . . 88 LEU CA . 26608 1 389 . 1 1 88 88 LEU CB C 13 40.644 0.300 . 1 . . . . 88 LEU CB . 26608 1 390 . 1 1 88 88 LEU N N 15 121.571 0.300 . 1 . . . . 88 LEU N . 26608 1 391 . 1 1 89 89 ILE H H 1 8.018 0.020 . 1 . . . . 89 ILE H . 26608 1 392 . 1 1 89 89 ILE C C 13 176.816 0.300 . 1 . . . . 89 ILE C . 26608 1 393 . 1 1 89 89 ILE CA C 13 64.097 0.300 . 1 . . . . 89 ILE CA . 26608 1 394 . 1 1 89 89 ILE CB C 13 37.147 0.300 . 1 . . . . 89 ILE CB . 26608 1 395 . 1 1 89 89 ILE N N 15 117.417 0.300 . 1 . . . . 89 ILE N . 26608 1 396 . 1 1 90 90 LEU H H 1 7.133 0.020 . 1 . . . . 90 LEU H . 26608 1 397 . 1 1 90 90 LEU C C 13 177.862 0.300 . 1 . . . . 90 LEU C . 26608 1 398 . 1 1 90 90 LEU CA C 13 54.851 0.300 . 1 . . . . 90 LEU CA . 26608 1 399 . 1 1 90 90 LEU CB C 13 40.179 0.300 . 1 . . . . 90 LEU CB . 26608 1 400 . 1 1 90 90 LEU N N 15 115.198 0.300 . 1 . . . . 90 LEU N . 26608 1 401 . 1 1 91 91 THR H H 1 7.412 0.020 . 1 . . . . 91 THR H . 26608 1 402 . 1 1 91 91 THR C C 13 173.162 0.300 . 1 . . . . 91 THR C . 26608 1 403 . 1 1 91 91 THR CA C 13 61.435 0.300 . 1 . . . . 91 THR CA . 26608 1 404 . 1 1 91 91 THR N N 15 104.968 0.300 . 1 . . . . 91 THR N . 26608 1 405 . 1 1 92 92 LYS H H 1 7.398 0.020 . 1 . . . . 92 LYS H . 26608 1 406 . 1 1 92 92 LYS CA C 13 53.935 0.300 . 1 . . . . 92 LYS CA . 26608 1 407 . 1 1 92 92 LYS CB C 13 33.114 0.300 . 1 . . . . 92 LYS CB . 26608 1 408 . 1 1 92 92 LYS N N 15 120.432 0.300 . 1 . . . . 92 LYS N . 26608 1 409 . 1 1 93 93 LEU C C 13 174.221 0.300 . 1 . . . . 93 LEU C . 26608 1 410 . 1 1 93 93 LEU CA C 13 54.470 0.300 . 1 . . . . 93 LEU CA . 26608 1 411 . 1 1 94 94 HIS H H 1 8.317 0.020 . 1 . . . . 94 HIS H . 26608 1 412 . 1 1 94 94 HIS C C 13 175.279 0.300 . 1 . . . . 94 HIS C . 26608 1 413 . 1 1 94 94 HIS CA C 13 55.710 0.300 . 1 . . . . 94 HIS CA . 26608 1 414 . 1 1 94 94 HIS CB C 13 29.738 0.300 . 1 . . . . 94 HIS CB . 26608 1 415 . 1 1 94 94 HIS N N 15 120.508 0.300 . 1 . . . . 94 HIS N . 26608 1 416 . 1 1 95 95 ALA H H 1 8.221 0.020 . 1 . . . . 95 ALA H . 26608 1 417 . 1 1 95 95 ALA C C 13 177.975 0.300 . 1 . . . . 95 ALA C . 26608 1 418 . 1 1 95 95 ALA CA C 13 52.361 0.300 . 1 . . . . 95 ALA CA . 26608 1 419 . 1 1 95 95 ALA CB C 13 18.624 0.300 . 1 . . . . 95 ALA CB . 26608 1 420 . 1 1 95 95 ALA N N 15 124.335 0.300 . 1 . . . . 95 ALA N . 26608 1 421 . 1 1 96 96 GLY H H 1 8.441 0.020 . 1 . . . . 96 GLY H . 26608 1 422 . 1 1 96 96 GLY C C 13 174.792 0.300 . 1 . . . . 96 GLY C . 26608 1 423 . 1 1 96 96 GLY CA C 13 45.062 0.300 . 1 . . . . 96 GLY CA . 26608 1 424 . 1 1 96 96 GLY N N 15 107.516 0.300 . 1 . . . . 96 GLY N . 26608 1 425 . 1 1 97 97 GLY H H 1 8.197 0.020 . 1 . . . . 97 GLY H . 26608 1 426 . 1 1 97 97 GLY C C 13 174.537 0.300 . 1 . . . . 97 GLY C . 26608 1 427 . 1 1 97 97 GLY CA C 13 44.947 0.300 . 1 . . . . 97 GLY CA . 26608 1 428 . 1 1 97 97 GLY N N 15 108.115 0.300 . 1 . . . . 97 GLY N . 26608 1 429 . 1 1 98 98 LYS H H 1 8.083 0.020 . 1 . . . . 98 LYS H . 26608 1 430 . 1 1 98 98 LYS C C 13 176.422 0.300 . 1 . . . . 98 LYS C . 26608 1 431 . 1 1 98 98 LYS CA C 13 56.139 0.300 . 1 . . . . 98 LYS CA . 26608 1 432 . 1 1 98 98 LYS CB C 13 31.664 0.300 . 1 . . . . 98 LYS CB . 26608 1 433 . 1 1 98 98 LYS N N 15 120.316 0.300 . 1 . . . . 98 LYS N . 26608 1 434 . 1 1 99 99 PHE H H 1 8.148 0.020 . 1 . . . . 99 PHE H . 26608 1 435 . 1 1 99 99 PHE C C 13 175.660 0.300 . 1 . . . . 99 PHE C . 26608 1 436 . 1 1 99 99 PHE CA C 13 57.256 0.300 . 1 . . . . 99 PHE CA . 26608 1 437 . 1 1 99 99 PHE CB C 13 38.406 0.300 . 1 . . . . 99 PHE CB . 26608 1 438 . 1 1 99 99 PHE N N 15 119.202 0.300 . 1 . . . . 99 PHE N . 26608 1 439 . 1 1 100 100 SER H H 1 7.969 0.020 . 1 . . . . 100 SER H . 26608 1 440 . 1 1 100 100 SER C C 13 174.095 0.300 . 1 . . . . 100 SER C . 26608 1 441 . 1 1 100 100 SER CA C 13 57.857 0.300 . 1 . . . . 100 SER CA . 26608 1 442 . 1 1 100 100 SER CB C 13 63.374 0.300 . 1 . . . . 100 SER CB . 26608 1 443 . 1 1 100 100 SER N N 15 115.909 0.300 . 1 . . . . 100 SER N . 26608 1 444 . 1 1 101 101 ASN C C 13 175.364 0.300 . 1 . . . . 101 ASN C . 26608 1 445 . 1 1 101 101 ASN CA C 13 52.933 0.300 . 1 . . . . 101 ASN CA . 26608 1 446 . 1 1 101 101 ASN CB C 13 38.063 0.300 . 1 . . . . 101 ASN CB . 26608 1 447 . 1 1 102 102 LYS H H 1 8.233 0.020 . 1 . . . . 102 LYS H . 26608 1 448 . 1 1 102 102 LYS C C 13 176.089 0.300 . 1 . . . . 102 LYS C . 26608 1 449 . 1 1 102 102 LYS CA C 13 56.340 0.300 . 1 . . . . 102 LYS CA . 26608 1 450 . 1 1 102 102 LYS CB C 13 31.460 0.300 . 1 . . . . 102 LYS CB . 26608 1 451 . 1 1 102 102 LYS N N 15 120.525 0.300 . 1 . . . . 102 LYS N . 26608 1 452 . 1 1 103 103 ASN H H 1 8.271 0.020 . 1 . . . . 103 ASN H . 26608 1 453 . 1 1 103 103 ASN C C 13 174.983 0.300 . 1 . . . . 103 ASN C . 26608 1 454 . 1 1 103 103 ASN CA C 13 52.905 0.300 . 1 . . . . 103 ASN CA . 26608 1 455 . 1 1 103 103 ASN CB C 13 37.962 0.300 . 1 . . . . 103 ASN CB . 26608 1 456 . 1 1 103 103 ASN N N 15 117.725 0.300 . 1 . . . . 103 ASN N . 26608 1 457 . 1 1 104 104 TYR H H 1 7.925 0.020 . 1 . . . . 104 TYR H . 26608 1 458 . 1 1 104 104 TYR C C 13 175.500 0.300 . 1 . . . . 104 TYR C . 26608 1 459 . 1 1 104 104 TYR CA C 13 57.828 0.300 . 1 . . . . 104 TYR CA . 26608 1 460 . 1 1 104 104 TYR CB C 13 37.739 0.300 . 1 . . . . 104 TYR CB . 26608 1 461 . 1 1 104 104 TYR N N 15 120.106 0.300 . 1 . . . . 104 TYR N . 26608 1 462 . 1 1 105 105 GLN H H 1 8.042 0.020 . 1 . . . . 105 GLN H . 26608 1 463 . 1 1 105 105 GLN CA C 13 55.510 0.300 . 1 . . . . 105 GLN CA . 26608 1 464 . 1 1 105 105 GLN CB C 13 28.404 0.300 . 1 . . . . 105 GLN CB . 26608 1 465 . 1 1 105 105 GLN N N 15 120.946 0.300 . 1 . . . . 105 GLN N . 26608 1 466 . 1 1 106 106 PHE H H 1 8.027 0.020 . 1 . . . . 106 PHE H . 26608 1 467 . 1 1 106 106 PHE C C 13 174.153 0.300 . 1 . . . . 106 PHE C . 26608 1 468 . 1 1 106 106 PHE CA C 13 57.401 0.300 . 1 . . . . 106 PHE CA . 26608 1 469 . 1 1 106 106 PHE CB C 13 38.628 0.300 . 1 . . . . 106 PHE CB . 26608 1 470 . 1 1 106 106 PHE N N 15 120.317 0.300 . 1 . . . . 106 PHE N . 26608 1 471 . 1 1 107 107 SER C C 13 174.792 0.300 . 1 . . . . 107 SER C . 26608 1 472 . 1 1 107 107 SER CA C 13 58.027 0.300 . 1 . . . . 107 SER CA . 26608 1 473 . 1 1 107 107 SER CB C 13 63.185 0.300 . 1 . . . . 107 SER CB . 26608 1 474 . 1 1 108 108 GLY H H 1 7.894 0.020 . 1 . . . . 108 GLY H . 26608 1 475 . 1 1 108 108 GLY C C 13 174.321 0.300 . 1 . . . . 108 GLY C . 26608 1 476 . 1 1 108 108 GLY CA C 13 44.947 0.300 . 1 . . . . 108 GLY CA . 26608 1 477 . 1 1 108 108 GLY N N 15 109.971 0.300 . 1 . . . . 108 GLY N . 26608 1 478 . 1 1 109 109 GLY H H 1 8.124 0.020 . 1 . . . . 109 GLY H . 26608 1 479 . 1 1 109 109 GLY C C 13 173.751 0.300 . 1 . . . . 109 GLY C . 26608 1 480 . 1 1 109 109 GLY CA C 13 44.661 0.300 . 1 . . . . 109 GLY CA . 26608 1 481 . 1 1 109 109 GLY N N 15 108.203 0.300 . 1 . . . . 109 GLY N . 26608 1 482 . 1 1 110 110 LEU H H 1 7.993 0.020 . 1 . . . . 110 LEU H . 26608 1 483 . 1 1 110 110 LEU CA C 13 54.565 0.300 . 1 . . . . 110 LEU CA . 26608 1 484 . 1 1 110 110 LEU CB C 13 41.221 0.300 . 1 . . . . 110 LEU CB . 26608 1 485 . 1 1 110 110 LEU N N 15 121.031 0.300 . 1 . . . . 110 LEU N . 26608 1 486 . 1 1 111 111 HIS C C 13 177.608 0.300 . 1 . . . . 111 HIS C . 26608 1 487 . 1 1 111 111 HIS CA C 13 56.100 0.300 . 1 . . . . 111 HIS CA . 26608 1 488 . 1 1 111 111 HIS CB C 13 31.189 0.300 . 1 . . . . 111 HIS CB . 26608 1 489 . 1 1 112 112 GLY H H 1 8.481 0.020 . 1 . . . . 112 GLY H . 26608 1 490 . 1 1 112 112 GLY C C 13 174.792 0.300 . 1 . . . . 112 GLY C . 26608 1 491 . 1 1 112 112 GLY CA C 13 44.718 0.300 . 1 . . . . 112 GLY CA . 26608 1 492 . 1 1 112 112 GLY N N 15 109.321 0.300 . 1 . . . . 112 GLY N . 26608 1 493 . 1 1 113 113 VAL H H 1 8.343 0.020 . 1 . . . . 113 VAL H . 26608 1 494 . 1 1 113 113 VAL C C 13 176.507 0.300 . 1 . . . . 113 VAL C . 26608 1 495 . 1 1 113 113 VAL CA C 13 62.584 0.300 . 1 . . . . 113 VAL CA . 26608 1 496 . 1 1 113 113 VAL N N 15 117.309 0.300 . 1 . . . . 113 VAL N . 26608 1 497 . 1 1 114 114 GLY H H 1 8.411 0.020 . 1 . . . . 114 GLY H . 26608 1 498 . 1 1 114 114 GLY C C 13 174.851 0.300 . 1 . . . . 114 GLY C . 26608 1 499 . 1 1 114 114 GLY CA C 13 44.375 0.300 . 1 . . . . 114 GLY CA . 26608 1 500 . 1 1 114 114 GLY N N 15 109.794 0.300 . 1 . . . . 114 GLY N . 26608 1 501 . 1 1 115 115 ILE H H 1 8.138 0.020 . 1 . . . . 115 ILE H . 26608 1 502 . 1 1 115 115 ILE C C 13 178.898 0.300 . 1 . . . . 115 ILE C . 26608 1 503 . 1 1 115 115 ILE CA C 13 63.267 0.300 . 1 . . . . 115 ILE CA . 26608 1 504 . 1 1 115 115 ILE CB C 13 36.881 0.300 . 1 . . . . 115 ILE CB . 26608 1 505 . 1 1 115 115 ILE N N 15 115.347 0.300 . 1 . . . . 115 ILE N . 26608 1 506 . 1 1 116 116 SER H H 1 8.378 0.020 . 1 . . . . 116 SER H . 26608 1 507 . 1 1 116 116 SER C C 13 176.813 0.300 . 1 . . . . 116 SER C . 26608 1 508 . 1 1 116 116 SER CA C 13 60.385 0.300 . 1 . . . . 116 SER CA . 26608 1 509 . 1 1 116 116 SER CB C 13 61.216 0.300 . 1 . . . . 116 SER CB . 26608 1 510 . 1 1 116 116 SER N N 15 119.141 0.300 . 1 . . . . 116 SER N . 26608 1 511 . 1 1 117 117 VAL H H 1 7.106 0.020 . 1 . . . . 117 VAL H . 26608 1 512 . 1 1 117 117 VAL C C 13 175.969 0.300 . 1 . . . . 117 VAL C . 26608 1 513 . 1 1 117 117 VAL CA C 13 65.630 0.300 . 1 . . . . 117 VAL CA . 26608 1 514 . 1 1 117 117 VAL CB C 13 30.949 0.300 . 1 . . . . 117 VAL CB . 26608 1 515 . 1 1 117 117 VAL N N 15 121.721 0.300 . 1 . . . . 117 VAL N . 26608 1 516 . 1 1 118 118 VAL H H 1 6.688 0.020 . 1 . . . . 118 VAL H . 26608 1 517 . 1 1 118 118 VAL C C 13 178.102 0.300 . 1 . . . . 118 VAL C . 26608 1 518 . 1 1 118 118 VAL CA C 13 64.597 0.300 . 1 . . . . 118 VAL CA . 26608 1 519 . 1 1 118 118 VAL CB C 13 29.812 0.300 . 1 . . . . 118 VAL CB . 26608 1 520 . 1 1 118 118 VAL N N 15 116.258 0.300 . 1 . . . . 118 VAL N . 26608 1 521 . 1 1 119 119 ASN H H 1 7.096 0.020 . 1 . . . . 119 ASN H . 26608 1 522 . 1 1 119 119 ASN C C 13 175.724 0.300 . 1 . . . . 119 ASN C . 26608 1 523 . 1 1 119 119 ASN CA C 13 54.849 0.300 . 1 . . . . 119 ASN CA . 26608 1 524 . 1 1 119 119 ASN CB C 13 38.238 0.300 . 1 . . . . 119 ASN CB . 26608 1 525 . 1 1 119 119 ASN N N 15 116.082 0.300 . 1 . . . . 119 ASN N . 26608 1 526 . 1 1 120 120 ALA H H 1 7.874 0.020 . 1 . . . . 120 ALA H . 26608 1 527 . 1 1 120 120 ALA C C 13 176.656 0.300 . 1 . . . . 120 ALA C . 26608 1 528 . 1 1 120 120 ALA CA C 13 54.193 0.300 . 1 . . . . 120 ALA CA . 26608 1 529 . 1 1 120 120 ALA CB C 13 18.209 0.300 . 1 . . . . 120 ALA CB . 26608 1 530 . 1 1 120 120 ALA N N 15 115.477 0.300 . 1 . . . . 120 ALA N . 26608 1 531 . 1 1 121 121 LEU H H 1 6.711 0.020 . 1 . . . . 121 LEU H . 26608 1 532 . 1 1 121 121 LEU C C 13 175.131 0.300 . 1 . . . . 121 LEU C . 26608 1 533 . 1 1 121 121 LEU CA C 13 52.580 0.300 . 1 . . . . 121 LEU CA . 26608 1 534 . 1 1 121 121 LEU CB C 13 39.635 0.300 . 1 . . . . 121 LEU CB . 26608 1 535 . 1 1 121 121 LEU N N 15 110.780 0.300 . 1 . . . . 121 LEU N . 26608 1 536 . 1 1 122 122 SER H H 1 7.361 0.020 . 1 . . . . 122 SER H . 26608 1 537 . 1 1 122 122 SER C C 13 175.264 0.300 . 1 . . . . 122 SER C . 26608 1 538 . 1 1 122 122 SER CA C 13 59.202 0.300 . 1 . . . . 122 SER CA . 26608 1 539 . 1 1 122 122 SER CB C 13 65.597 0.300 . 1 . . . . 122 SER CB . 26608 1 540 . 1 1 122 122 SER N N 15 114.509 0.300 . 1 . . . . 122 SER N . 26608 1 541 . 1 1 123 123 THR H H 1 8.938 0.020 . 1 . . . . 123 THR H . 26608 1 542 . 1 1 123 123 THR C C 13 176.952 0.300 . 1 . . . . 123 THR C . 26608 1 543 . 1 1 123 123 THR CA C 13 63.839 0.300 . 1 . . . . 123 THR CA . 26608 1 544 . 1 1 123 123 THR CB C 13 68.264 0.300 . 1 . . . . 123 THR CB . 26608 1 545 . 1 1 123 123 THR N N 15 116.707 0.300 . 1 . . . . 123 THR N . 26608 1 546 . 1 1 124 124 ARG H H 1 7.457 0.020 . 1 . . . . 124 ARG H . 26608 1 547 . 1 1 124 124 ARG C C 13 174.950 0.300 . 1 . . . . 124 ARG C . 26608 1 548 . 1 1 124 124 ARG CA C 13 55.080 0.300 . 1 . . . . 124 ARG CA . 26608 1 549 . 1 1 124 124 ARG CB C 13 32.923 0.300 . 1 . . . . 124 ARG CB . 26608 1 550 . 1 1 124 124 ARG N N 15 119.664 0.300 . 1 . . . . 124 ARG N . 26608 1 551 . 1 1 125 125 VAL H H 1 8.389 0.020 . 1 . . . . 125 VAL H . 26608 1 552 . 1 1 125 125 VAL C C 13 174.602 0.300 . 1 . . . . 125 VAL C . 26608 1 553 . 1 1 125 125 VAL CA C 13 61.549 0.300 . 1 . . . . 125 VAL CA . 26608 1 554 . 1 1 125 125 VAL CB C 13 35.591 0.300 . 1 . . . . 125 VAL CB . 26608 1 555 . 1 1 125 125 VAL N N 15 122.714 0.300 . 1 . . . . 125 VAL N . 26608 1 556 . 1 1 126 126 GLU H H 1 9.945 0.020 . 1 . . . . 126 GLU H . 26608 1 557 . 1 1 126 126 GLU C C 13 175.110 0.300 . 1 . . . . 126 GLU C . 26608 1 558 . 1 1 126 126 GLU CA C 13 54.966 0.300 . 1 . . . . 126 GLU CA . 26608 1 559 . 1 1 126 126 GLU CB C 13 32.405 0.300 . 1 . . . . 126 GLU CB . 26608 1 560 . 1 1 126 126 GLU N N 15 126.314 0.300 . 1 . . . . 126 GLU N . 26608 1 561 . 1 1 127 127 VAL H H 1 9.140 0.020 . 1 . . . . 127 VAL H . 26608 1 562 . 1 1 127 127 VAL C C 13 174.242 0.300 . 1 . . . . 127 VAL C . 26608 1 563 . 1 1 127 127 VAL CA C 13 59.918 0.300 . 1 . . . . 127 VAL CA . 26608 1 564 . 1 1 127 127 VAL CB C 13 33.664 0.300 . 1 . . . . 127 VAL CB . 26608 1 565 . 1 1 127 127 VAL N N 15 127.956 0.300 . 1 . . . . 127 VAL N . 26608 1 566 . 1 1 128 128 ARG H H 1 9.243 0.020 . 1 . . . . 128 ARG H . 26608 1 567 . 1 1 128 128 ARG C C 13 176.074 0.300 . 1 . . . . 128 ARG C . 26608 1 568 . 1 1 128 128 ARG CA C 13 53.649 0.300 . 1 . . . . 128 ARG CA . 26608 1 569 . 1 1 128 128 ARG CB C 13 33.072 0.300 . 1 . . . . 128 ARG CB . 26608 1 570 . 1 1 128 128 ARG N N 15 124.797 0.300 . 1 . . . . 128 ARG N . 26608 1 571 . 1 1 129 129 VAL H H 1 9.111 0.020 . 1 . . . . 129 VAL H . 26608 1 572 . 1 1 129 129 VAL C C 13 174.242 0.300 . 1 . . . . 129 VAL C . 26608 1 573 . 1 1 129 129 VAL CA C 13 60.288 0.300 . 1 . . . . 129 VAL CA . 26608 1 574 . 1 1 129 129 VAL CB C 13 35.961 0.300 . 1 . . . . 129 VAL CB . 26608 1 575 . 1 1 129 129 VAL N N 15 123.698 0.300 . 1 . . . . 129 VAL N . 26608 1 576 . 1 1 130 130 LYS H H 1 9.412 0.020 . 1 . . . . 130 LYS H . 26608 1 577 . 1 1 130 130 LYS C C 13 175.068 0.300 . 1 . . . . 130 LYS C . 26608 1 578 . 1 1 130 130 LYS CA C 13 54.650 0.300 . 1 . . . . 130 LYS CA . 26608 1 579 . 1 1 130 130 LYS CB C 13 31.812 0.300 . 1 . . . . 130 LYS CB . 26608 1 580 . 1 1 130 130 LYS N N 15 128.640 0.300 . 1 . . . . 130 LYS N . 26608 1 581 . 1 1 131 131 ARG H H 1 8.850 0.020 . 1 . . . . 131 ARG H . 26608 1 582 . 1 1 131 131 ARG C C 13 175.284 0.300 . 1 . . . . 131 ARG C . 26608 1 583 . 1 1 131 131 ARG CA C 13 56.368 0.300 . 1 . . . . 131 ARG CA . 26608 1 584 . 1 1 131 131 ARG CB C 13 32.356 0.300 . 1 . . . . 131 ARG CB . 26608 1 585 . 1 1 131 131 ARG N N 15 119.333 0.300 . 1 . . . . 131 ARG N . 26608 1 586 . 1 1 132 132 ASP H H 1 9.146 0.020 . 1 . . . . 132 ASP H . 26608 1 587 . 1 1 132 132 ASP C C 13 174.729 0.300 . 1 . . . . 132 ASP C . 26608 1 588 . 1 1 132 132 ASP CA C 13 55.538 0.300 . 1 . . . . 132 ASP CA . 26608 1 589 . 1 1 132 132 ASP CB C 13 38.999 0.300 . 1 . . . . 132 ASP CB . 26608 1 590 . 1 1 132 132 ASP N N 15 121.513 0.300 . 1 . . . . 132 ASP N . 26608 1 591 . 1 1 133 133 ALA H H 1 8.848 0.020 . 1 . . . . 133 ALA H . 26608 1 592 . 1 1 133 133 ALA C C 13 176.232 0.300 . 1 . . . . 133 ALA C . 26608 1 593 . 1 1 133 133 ALA CA C 13 53.220 0.300 . 1 . . . . 133 ALA CA . 26608 1 594 . 1 1 133 133 ALA CB C 13 16.698 0.300 . 1 . . . . 133 ALA CB . 26608 1 595 . 1 1 133 133 ALA N N 15 112.805 0.300 . 1 . . . . 133 ALA N . 26608 1 596 . 1 1 134 134 ASN H H 1 8.108 0.020 . 1 . . . . 134 ASN H . 26608 1 597 . 1 1 134 134 ASN C C 13 171.807 0.300 . 1 . . . . 134 ASN C . 26608 1 598 . 1 1 134 134 ASN CA C 13 51.703 0.300 . 1 . . . . 134 ASN CA . 26608 1 599 . 1 1 134 134 ASN CB C 13 42.851 0.300 . 1 . . . . 134 ASN CB . 26608 1 600 . 1 1 134 134 ASN N N 15 118.450 0.300 . 1 . . . . 134 ASN N . 26608 1 601 . 1 1 135 135 GLU H H 1 8.138 0.020 . 1 . . . . 135 GLU H . 26608 1 602 . 1 1 135 135 GLU C C 13 174.327 0.300 . 1 . . . . 135 GLU C . 26608 1 603 . 1 1 135 135 GLU CA C 13 53.935 0.300 . 1 . . . . 135 GLU CA . 26608 1 604 . 1 1 135 135 GLU CB C 13 30.330 0.300 . 1 . . . . 135 GLU CB . 26608 1 605 . 1 1 135 135 GLU N N 15 119.469 0.300 . 1 . . . . 135 GLU N . 26608 1 606 . 1 1 136 136 TYR H H 1 10.041 0.020 . 1 . . . . 136 TYR H . 26608 1 607 . 1 1 136 136 TYR C C 13 175.936 0.300 . 1 . . . . 136 TYR C . 26608 1 608 . 1 1 136 136 TYR CA C 13 55.853 0.300 . 1 . . . . 136 TYR CA . 26608 1 609 . 1 1 136 136 TYR CB C 13 41.370 0.300 . 1 . . . . 136 TYR CB . 26608 1 610 . 1 1 136 136 TYR N N 15 125.432 0.300 . 1 . . . . 136 TYR N . 26608 1 611 . 1 1 137 137 ARG H H 1 9.194 0.020 . 1 . . . . 137 ARG H . 26608 1 612 . 1 1 137 137 ARG C C 13 174.969 0.300 . 1 . . . . 137 ARG C . 26608 1 613 . 1 1 137 137 ARG CA C 13 54.050 0.300 . 1 . . . . 137 ARG CA . 26608 1 614 . 1 1 137 137 ARG CB C 13 34.672 0.300 . 1 . . . . 137 ARG CB . 26608 1 615 . 1 1 137 137 ARG N N 15 120.385 0.300 . 1 . . . . 137 ARG N . 26608 1 616 . 1 1 138 138 MET H H 1 8.907 0.020 . 1 . . . . 138 MET H . 26608 1 617 . 1 1 138 138 MET C C 13 173.658 0.300 . 1 . . . . 138 MET C . 26608 1 618 . 1 1 138 138 MET CA C 13 56.282 0.300 . 1 . . . . 138 MET CA . 26608 1 619 . 1 1 138 138 MET CB C 13 35.961 0.300 . 1 . . . . 138 MET CB . 26608 1 620 . 1 1 138 138 MET N N 15 123.010 0.300 . 1 . . . . 138 MET N . 26608 1 621 . 1 1 139 139 THR H H 1 7.597 0.020 . 1 . . . . 139 THR H . 26608 1 622 . 1 1 139 139 THR C C 13 172.188 0.300 . 1 . . . . 139 THR C . 26608 1 623 . 1 1 139 139 THR CA C 13 59.303 0.300 . 1 . . . . 139 THR CA . 26608 1 624 . 1 1 139 139 THR CB C 13 71.598 0.300 . 1 . . . . 139 THR CB . 26608 1 625 . 1 1 139 139 THR N N 15 112.179 0.300 . 1 . . . . 139 THR N . 26608 1 626 . 1 1 140 140 PHE H H 1 9.082 0.020 . 1 . . . . 140 PHE H . 26608 1 627 . 1 1 140 140 PHE C C 13 174.792 0.300 . 1 . . . . 140 PHE C . 26608 1 628 . 1 1 140 140 PHE CA C 13 56.311 0.300 . 1 . . . . 140 PHE CA . 26608 1 629 . 1 1 140 140 PHE CB C 13 43.370 0.300 . 1 . . . . 140 PHE CB . 26608 1 630 . 1 1 140 140 PHE N N 15 118.264 0.300 . 1 . . . . 140 PHE N . 26608 1 631 . 1 1 141 141 ALA H H 1 9.497 0.020 . 1 . . . . 141 ALA H . 26608 1 632 . 1 1 141 141 ALA C C 13 177.629 0.300 . 1 . . . . 141 ALA C . 26608 1 633 . 1 1 141 141 ALA CA C 13 51.416 0.300 . 1 . . . . 141 ALA CA . 26608 1 634 . 1 1 141 141 ALA CB C 13 20.402 0.300 . 1 . . . . 141 ALA CB . 26608 1 635 . 1 1 141 141 ALA N N 15 124.623 0.300 . 1 . . . . 141 ALA N . 26608 1 636 . 1 1 142 142 ASP H H 1 8.456 0.020 . 1 . . . . 142 ASP H . 26608 1 637 . 1 1 142 142 ASP C C 13 175.491 0.300 . 1 . . . . 142 ASP C . 26608 1 638 . 1 1 142 142 ASP CA C 13 55.481 0.300 . 1 . . . . 142 ASP CA . 26608 1 639 . 1 1 142 142 ASP CB C 13 39.517 0.300 . 1 . . . . 142 ASP CB . 26608 1 640 . 1 1 142 142 ASP N N 15 124.007 0.300 . 1 . . . . 142 ASP N . 26608 1 641 . 1 1 143 143 GLY H H 1 9.253 0.020 . 1 . . . . 143 GLY H . 26608 1 642 . 1 1 143 143 GLY C C 13 173.457 0.300 . 1 . . . . 143 GLY C . 26608 1 643 . 1 1 143 143 GLY CA C 13 44.833 0.300 . 1 . . . . 143 GLY CA . 26608 1 644 . 1 1 143 143 GLY N N 15 105.424 0.300 . 1 . . . . 143 GLY N . 26608 1 645 . 1 1 144 144 PHE H H 1 8.154 0.020 . 1 . . . . 144 PHE H . 26608 1 646 . 1 1 144 144 PHE C C 13 175.892 0.300 . 1 . . . . 144 PHE C . 26608 1 647 . 1 1 144 144 PHE CA C 13 55.939 0.300 . 1 . . . . 144 PHE CA . 26608 1 648 . 1 1 144 144 PHE CB C 13 40.184 0.300 . 1 . . . . 144 PHE CB . 26608 1 649 . 1 1 144 144 PHE N N 15 119.418 0.300 . 1 . . . . 144 PHE N . 26608 1 650 . 1 1 145 145 LYS H H 1 9.279 0.020 . 1 . . . . 145 LYS H . 26608 1 651 . 1 1 145 145 LYS C C 13 175.554 0.300 . 1 . . . . 145 LYS C . 26608 1 652 . 1 1 145 145 LYS CA C 13 58.401 0.300 . 1 . . . . 145 LYS CA . 26608 1 653 . 1 1 145 145 LYS CB C 13 30.627 0.300 . 1 . . . . 145 LYS CB . 26608 1 654 . 1 1 145 145 LYS N N 15 123.961 0.300 . 1 . . . . 145 LYS N . 26608 1 655 . 1 1 146 146 ASP H H 1 8.946 0.020 . 1 . . . . 146 ASP H . 26608 1 656 . 1 1 146 146 ASP C C 13 174.792 0.300 . 1 . . . . 146 ASP C . 26608 1 657 . 1 1 146 146 ASP CA C 13 53.426 0.300 . 1 . . . . 146 ASP CA . 26608 1 658 . 1 1 146 146 ASP CB C 13 41.740 0.300 . 1 . . . . 146 ASP CB . 26608 1 659 . 1 1 146 146 ASP N N 15 128.102 0.300 . 1 . . . . 146 ASP N . 26608 1 660 . 1 1 147 147 SER H H 1 7.487 0.020 . 1 . . . . 147 SER H . 26608 1 661 . 1 1 147 147 SER C C 13 172.371 0.300 . 1 . . . . 147 SER C . 26608 1 662 . 1 1 147 147 SER CA C 13 57.112 0.300 . 1 . . . . 147 SER CA . 26608 1 663 . 1 1 147 147 SER CB C 13 64.263 0.300 . 1 . . . . 147 SER CB . 26608 1 664 . 1 1 147 147 SER N N 15 113.354 0.300 . 1 . . . . 147 SER N . 26608 1 665 . 1 1 148 148 ASP H H 1 8.077 0.020 . 1 . . . . 148 ASP H . 26608 1 666 . 1 1 148 148 ASP CA C 13 53.684 0.300 . 1 . . . . 148 ASP CA . 26608 1 667 . 1 1 148 148 ASP CB C 13 41.444 0.300 . 1 . . . . 148 ASP CB . 26608 1 668 . 1 1 148 148 ASP N N 15 118.855 0.300 . 1 . . . . 148 ASP N . 26608 1 669 . 1 1 149 149 LEU C C 13 176.380 0.300 . 1 . . . . 149 LEU C . 26608 1 670 . 1 1 149 149 LEU CA C 13 55.707 0.300 . 1 . . . . 149 LEU CA . 26608 1 671 . 1 1 149 149 LEU CB C 13 41.036 0.300 . 1 . . . . 149 LEU CB . 26608 1 672 . 1 1 150 150 GLU H H 1 8.853 0.020 . 1 . . . . 150 GLU H . 26608 1 673 . 1 1 150 150 GLU C C 13 175.009 0.300 . 1 . . . . 150 GLU C . 26608 1 674 . 1 1 150 150 GLU CA C 13 53.907 0.300 . 1 . . . . 150 GLU CA . 26608 1 675 . 1 1 150 150 GLU CB C 13 32.553 0.300 . 1 . . . . 150 GLU CB . 26608 1 676 . 1 1 150 150 GLU N N 15 128.170 0.300 . 1 . . . . 150 GLU N . 26608 1 677 . 1 1 151 151 VAL H H 1 8.786 0.020 . 1 . . . . 151 VAL H . 26608 1 678 . 1 1 151 151 VAL C C 13 177.465 0.300 . 1 . . . . 151 VAL C . 26608 1 679 . 1 1 151 151 VAL CA C 13 62.208 0.300 . 1 . . . . 151 VAL CA . 26608 1 680 . 1 1 151 151 VAL CB C 13 30.553 0.300 . 1 . . . . 151 VAL CB . 26608 1 681 . 1 1 151 151 VAL N N 15 123.637 0.300 . 1 . . . . 151 VAL N . 26608 1 682 . 1 1 152 152 ILE H H 1 9.139 0.020 . 1 . . . . 152 ILE H . 26608 1 683 . 1 1 152 152 ILE C C 13 175.963 0.300 . 1 . . . . 152 ILE C . 26608 1 684 . 1 1 152 152 ILE CA C 13 60.298 0.300 . 1 . . . . 152 ILE CA . 26608 1 685 . 1 1 152 152 ILE CB C 13 37.938 0.300 . 1 . . . . 152 ILE CB . 26608 1 686 . 1 1 152 152 ILE N N 15 122.935 0.300 . 1 . . . . 152 ILE N . 26608 1 687 . 1 1 153 153 GLY H H 1 7.508 0.020 . 1 . . . . 153 GLY H . 26608 1 688 . 1 1 153 153 GLY C C 13 171.237 0.300 . 1 . . . . 153 GLY C . 26608 1 689 . 1 1 153 153 GLY CA C 13 44.919 0.300 . 1 . . . . 153 GLY CA . 26608 1 690 . 1 1 153 153 GLY N N 15 109.117 0.300 . 1 . . . . 153 GLY N . 26608 1 691 . 1 1 154 154 THR H H 1 8.304 0.020 . 1 . . . . 154 THR H . 26608 1 692 . 1 1 154 154 THR C C 13 174.607 0.300 . 1 . . . . 154 THR C . 26608 1 693 . 1 1 154 154 THR CA C 13 60.318 0.300 . 1 . . . . 154 THR CA . 26608 1 694 . 1 1 154 154 THR CB C 13 70.487 0.300 . 1 . . . . 154 THR CB . 26608 1 695 . 1 1 154 154 THR N N 15 112.958 0.300 . 1 . . . . 154 THR N . 26608 1 696 . 1 1 155 155 VAL H H 1 7.897 0.020 . 1 . . . . 155 VAL H . 26608 1 697 . 1 1 155 155 VAL C C 13 175.745 0.300 . 1 . . . . 155 VAL C . 26608 1 698 . 1 1 155 155 VAL CA C 13 58.859 0.300 . 1 . . . . 155 VAL CA . 26608 1 699 . 1 1 155 155 VAL CB C 13 34.998 0.300 . 1 . . . . 155 VAL CB . 26608 1 700 . 1 1 155 155 VAL N N 15 116.252 0.300 . 1 . . . . 155 VAL N . 26608 1 701 . 1 1 156 156 GLY H H 1 8.495 0.020 . 1 . . . . 156 GLY H . 26608 1 702 . 1 1 156 156 GLY C C 13 175.343 0.300 . 1 . . . . 156 GLY C . 26608 1 703 . 1 1 156 156 GLY CA C 13 44.804 0.300 . 1 . . . . 156 GLY CA . 26608 1 704 . 1 1 156 156 GLY N N 15 107.210 0.300 . 1 . . . . 156 GLY N . 26608 1 705 . 1 1 157 157 LYS H H 1 8.549 0.020 . 1 . . . . 157 LYS H . 26608 1 706 . 1 1 157 157 LYS C C 13 177.841 0.300 . 1 . . . . 157 LYS C . 26608 1 707 . 1 1 157 157 LYS CA C 13 58.973 0.300 . 1 . . . . 157 LYS CA . 26608 1 708 . 1 1 157 157 LYS CB C 13 31.590 0.300 . 1 . . . . 157 LYS CB . 26608 1 709 . 1 1 157 157 LYS N N 15 121.282 0.300 . 1 . . . . 157 LYS N . 26608 1 710 . 1 1 158 158 ARG H H 1 8.453 0.020 . 1 . . . . 158 ARG H . 26608 1 711 . 1 1 158 158 ARG C C 13 175.258 0.300 . 1 . . . . 158 ARG C . 26608 1 712 . 1 1 158 158 ARG CA C 13 55.223 0.300 . 1 . . . . 158 ARG CA . 26608 1 713 . 1 1 158 158 ARG CB C 13 28.256 0.300 . 1 . . . . 158 ARG CB . 26608 1 714 . 1 1 158 158 ARG N N 15 114.795 0.300 . 1 . . . . 158 ARG N . 26608 1 715 . 1 1 159 159 ASN H H 1 7.568 0.020 . 1 . . . . 159 ASN H . 26608 1 716 . 1 1 159 159 ASN C C 13 172.654 0.300 . 1 . . . . 159 ASN C . 26608 1 717 . 1 1 159 159 ASN CA C 13 52.075 0.300 . 1 . . . . 159 ASN CA . 26608 1 718 . 1 1 159 159 ASN CB C 13 37.221 0.300 . 1 . . . . 159 ASN CB . 26608 1 719 . 1 1 159 159 ASN N N 15 120.784 0.300 . 1 . . . . 159 ASN N . 26608 1 720 . 1 1 160 160 THR H H 1 7.704 0.020 . 1 . . . . 160 THR H . 26608 1 721 . 1 1 160 160 THR C C 13 174.581 0.300 . 1 . . . . 160 THR C . 26608 1 722 . 1 1 160 160 THR CA C 13 59.145 0.300 . 1 . . . . 160 THR CA . 26608 1 723 . 1 1 160 160 THR CB C 13 71.820 0.300 . 1 . . . . 160 THR CB . 26608 1 724 . 1 1 160 160 THR N N 15 111.743 0.300 . 1 . . . . 160 THR N . 26608 1 725 . 1 1 161 161 GLY H H 1 8.393 0.020 . 1 . . . . 161 GLY H . 26608 1 726 . 1 1 161 161 GLY C C 13 172.592 0.300 . 1 . . . . 161 GLY C . 26608 1 727 . 1 1 161 161 GLY CA C 13 44.861 0.300 . 1 . . . . 161 GLY CA . 26608 1 728 . 1 1 161 161 GLY N N 15 107.326 0.300 . 1 . . . . 161 GLY N . 26608 1 729 . 1 1 162 162 THR H H 1 7.595 0.020 . 1 . . . . 162 THR H . 26608 1 730 . 1 1 162 162 THR C C 13 173.056 0.300 . 1 . . . . 162 THR C . 26608 1 731 . 1 1 162 162 THR CA C 13 62.179 0.300 . 1 . . . . 162 THR CA . 26608 1 732 . 1 1 162 162 THR CB C 13 71.154 0.300 . 1 . . . . 162 THR CB . 26608 1 733 . 1 1 162 162 THR N N 15 114.995 0.300 . 1 . . . . 162 THR N . 26608 1 734 . 1 1 163 163 SER H H 1 9.348 0.020 . 1 . . . . 163 SER H . 26608 1 735 . 1 1 163 163 SER C C 13 173.924 0.300 . 1 . . . . 163 SER C . 26608 1 736 . 1 1 163 163 SER CA C 13 55.681 0.300 . 1 . . . . 163 SER CA . 26608 1 737 . 1 1 163 163 SER CB C 13 63.893 0.300 . 1 . . . . 163 SER CB . 26608 1 738 . 1 1 163 163 SER N N 15 120.457 0.300 . 1 . . . . 163 SER N . 26608 1 739 . 1 1 164 164 VAL H H 1 8.991 0.020 . 1 . . . . 164 VAL H . 26608 1 740 . 1 1 164 164 VAL CA C 13 61.463 0.300 . 1 . . . . 164 VAL CA . 26608 1 741 . 1 1 164 164 VAL CB C 13 33.072 0.300 . 1 . . . . 164 VAL CB . 26608 1 742 . 1 1 164 164 VAL N N 15 126.218 0.300 . 1 . . . . 164 VAL N . 26608 1 743 . 1 1 165 165 HIS H H 1 9.159 0.020 . 1 . . . . 165 HIS H . 26608 1 744 . 1 1 165 165 HIS C C 13 173.260 0.300 . 1 . . . . 165 HIS C . 26608 1 745 . 1 1 165 165 HIS CA C 13 50.856 0.300 . 1 . . . . 165 HIS CA . 26608 1 746 . 1 1 165 165 HIS CB C 13 31.812 0.300 . 1 . . . . 165 HIS CB . 26608 1 747 . 1 1 165 165 HIS N N 15 128.628 0.300 . 1 . . . . 165 HIS N . 26608 1 748 . 1 1 166 166 PHE H H 1 9.391 0.020 . 1 . . . . 166 PHE H . 26608 1 749 . 1 1 166 166 PHE C C 13 171.617 0.300 . 1 . . . . 166 PHE C . 26608 1 750 . 1 1 166 166 PHE CA C 13 55.137 0.300 . 1 . . . . 166 PHE CA . 26608 1 751 . 1 1 166 166 PHE CB C 13 42.703 0.300 . 1 . . . . 166 PHE CB . 26608 1 752 . 1 1 166 166 PHE N N 15 122.318 0.300 . 1 . . . . 166 PHE N . 26608 1 753 . 1 1 167 167 TRP H H 1 8.751 0.020 . 1 . . . . 167 TRP H . 26608 1 754 . 1 1 167 167 TRP CA C 13 55.137 0.300 . 1 . . . . 167 TRP CA . 26608 1 755 . 1 1 167 167 TRP CB C 13 31.145 0.300 . 1 . . . . 167 TRP CB . 26608 1 756 . 1 1 167 167 TRP N N 15 124.637 0.300 . 1 . . . . 167 TRP N . 26608 1 757 . 1 1 168 168 PRO C C 13 176.613 0.300 . 1 . . . . 168 PRO C . 26608 1 758 . 1 1 168 168 PRO CA C 13 62.718 0.300 . 1 . . . . 168 PRO CA . 26608 1 759 . 1 1 168 168 PRO CB C 13 31.071 0.300 . 1 . . . . 168 PRO CB . 26608 1 760 . 1 1 169 169 ASP H H 1 10.047 0.020 . 1 . . . . 169 ASP H . 26608 1 761 . 1 1 169 169 ASP C C 13 176.619 0.300 . 1 . . . . 169 ASP C . 26608 1 762 . 1 1 169 169 ASP CA C 13 51.645 0.300 . 1 . . . . 169 ASP CA . 26608 1 763 . 1 1 169 169 ASP CB C 13 40.851 0.300 . 1 . . . . 169 ASP CB . 26608 1 764 . 1 1 169 169 ASP N N 15 128.210 0.300 . 1 . . . . 169 ASP N . 26608 1 765 . 1 1 170 170 PRO C C 13 178.201 0.300 . 1 . . . . 170 PRO C . 26608 1 766 . 1 1 170 170 PRO CA C 13 63.896 0.300 . 1 . . . . 170 PRO CA . 26608 1 767 . 1 1 170 170 PRO CB C 13 32.002 0.300 . 1 . . . . 170 PRO CB . 26608 1 768 . 1 1 171 171 LYS H H 1 8.391 0.020 . 1 . . . . 171 LYS H . 26608 1 769 . 1 1 171 171 LYS C C 13 177.714 0.300 . 1 . . . . 171 LYS C . 26608 1 770 . 1 1 171 171 LYS CA C 13 57.857 0.300 . 1 . . . . 171 LYS CA . 26608 1 771 . 1 1 171 171 LYS CB C 13 30.404 0.300 . 1 . . . . 171 LYS CB . 26608 1 772 . 1 1 171 171 LYS N N 15 116.813 0.300 . 1 . . . . 171 LYS N . 26608 1 773 . 1 1 172 172 TYR H H 1 7.196 0.020 . 1 . . . . 172 TYR H . 26608 1 774 . 1 1 172 172 TYR C C 13 174.432 0.300 . 1 . . . . 172 TYR C . 26608 1 775 . 1 1 172 172 TYR CA C 13 57.599 0.300 . 1 . . . . 172 TYR CA . 26608 1 776 . 1 1 172 172 TYR CB C 13 37.887 0.300 . 1 . . . . 172 TYR CB . 26608 1 777 . 1 1 172 172 TYR N N 15 116.090 0.300 . 1 . . . . 172 TYR N . 26608 1 778 . 1 1 173 173 PHE H H 1 7.092 0.020 . 1 . . . . 173 PHE H . 26608 1 779 . 1 1 173 173 PHE C C 13 176.253 0.300 . 1 . . . . 173 PHE C . 26608 1 780 . 1 1 173 173 PHE CA C 13 56.025 0.300 . 1 . . . . 173 PHE CA . 26608 1 781 . 1 1 173 173 PHE CB C 13 43.666 0.300 . 1 . . . . 173 PHE CB . 26608 1 782 . 1 1 173 173 PHE N N 15 113.622 0.300 . 1 . . . . 173 PHE N . 26608 1 783 . 1 1 174 174 ASP H H 1 8.957 0.020 . 1 . . . . 174 ASP H . 26608 1 784 . 1 1 174 174 ASP C C 13 177.582 0.300 . 1 . . . . 174 ASP C . 26608 1 785 . 1 1 174 174 ASP CA C 13 56.883 0.300 . 1 . . . . 174 ASP CA . 26608 1 786 . 1 1 174 174 ASP CB C 13 39.369 0.300 . 1 . . . . 174 ASP CB . 26608 1 787 . 1 1 174 174 ASP N N 15 122.599 0.300 . 1 . . . . 174 ASP N . 26608 1 788 . 1 1 175 175 SER H H 1 7.570 0.020 . 1 . . . . 175 SER H . 26608 1 789 . 1 1 175 175 SER C C 13 173.014 0.300 . 1 . . . . 175 SER C . 26608 1 790 . 1 1 175 175 SER CA C 13 55.809 0.300 . 1 . . . . 175 SER CA . 26608 1 791 . 1 1 175 175 SER CB C 13 64.041 0.300 . 1 . . . . 175 SER CB . 26608 1 792 . 1 1 175 175 SER N N 15 111.028 0.300 . 1 . . . . 175 SER N . 26608 1 793 . 1 1 176 176 ALA H H 1 8.611 0.020 . 1 . . . . 176 ALA H . 26608 1 794 . 1 1 176 176 ALA C C 13 176.010 0.300 . 1 . . . . 176 ALA C . 26608 1 795 . 1 1 176 176 ALA CA C 13 51.502 0.300 . 1 . . . . 176 ALA CA . 26608 1 796 . 1 1 176 176 ALA CB C 13 17.809 0.300 . 1 . . . . 176 ALA CB . 26608 1 797 . 1 1 176 176 ALA N N 15 125.965 0.300 . 1 . . . . 176 ALA N . 26608 1 798 . 1 1 177 177 LYS H H 1 7.629 0.020 . 1 . . . . 177 LYS H . 26608 1 799 . 1 1 177 177 LYS C C 13 177.719 0.300 . 1 . . . . 177 LYS C . 26608 1 800 . 1 1 177 177 LYS CA C 13 54.937 0.300 . 1 . . . . 177 LYS CA . 26608 1 801 . 1 1 177 177 LYS CB C 13 31.368 0.300 . 1 . . . . 177 LYS CB . 26608 1 802 . 1 1 177 177 LYS N N 15 115.292 0.300 . 1 . . . . 177 LYS N . 26608 1 803 . 1 1 178 178 PHE H H 1 8.555 0.020 . 1 . . . . 178 PHE H . 26608 1 804 . 1 1 178 178 PHE C C 13 176.875 0.300 . 1 . . . . 178 PHE C . 26608 1 805 . 1 1 178 178 PHE CA C 13 58.859 0.300 . 1 . . . . 178 PHE CA . 26608 1 806 . 1 1 178 178 PHE CB C 13 38.999 0.300 . 1 . . . . 178 PHE CB . 26608 1 807 . 1 1 178 178 PHE N N 15 121.057 0.300 . 1 . . . . 178 PHE N . 26608 1 808 . 1 1 179 179 SER H H 1 9.525 0.020 . 1 . . . . 179 SER H . 26608 1 809 . 1 1 179 179 SER C C 13 176.779 0.300 . 1 . . . . 179 SER C . 26608 1 810 . 1 1 179 179 SER CA C 13 56.082 0.300 . 1 . . . . 179 SER CA . 26608 1 811 . 1 1 179 179 SER CB C 13 61.596 0.300 . 1 . . . . 179 SER CB . 26608 1 812 . 1 1 179 179 SER N N 15 115.732 0.300 . 1 . . . . 179 SER N . 26608 1 813 . 1 1 180 180 VAL H H 1 9.477 0.020 . 1 . . . . 180 VAL H . 26608 1 814 . 1 1 180 180 VAL C C 13 177.911 0.300 . 1 . . . . 180 VAL C . 26608 1 815 . 1 1 180 180 VAL CA C 13 66.873 0.300 . 1 . . . . 180 VAL CA . 26608 1 816 . 1 1 180 180 VAL CB C 13 30.404 0.300 . 1 . . . . 180 VAL CB . 26608 1 817 . 1 1 180 180 VAL N N 15 135.798 0.300 . 1 . . . . 180 VAL N . 26608 1 818 . 1 1 181 181 SER H H 1 9.091 0.020 . 1 . . . . 181 SER H . 26608 1 819 . 1 1 181 181 SER C C 13 177.968 0.300 . 1 . . . . 181 SER C . 26608 1 820 . 1 1 181 181 SER CA C 13 61.071 0.300 . 1 . . . . 181 SER CA . 26608 1 821 . 1 1 181 181 SER N N 15 118.371 0.300 . 1 . . . . 181 SER N . 26608 1 822 . 1 1 182 182 ARG H H 1 7.425 0.020 . 1 . . . . 182 ARG H . 26608 1 823 . 1 1 182 182 ARG C C 13 179.782 0.300 . 1 . . . . 182 ARG C . 26608 1 824 . 1 1 182 182 ARG CA C 13 58.200 0.300 . 1 . . . . 182 ARG CA . 26608 1 825 . 1 1 182 182 ARG CB C 13 28.774 0.300 . 1 . . . . 182 ARG CB . 26608 1 826 . 1 1 182 182 ARG N N 15 120.366 0.300 . 1 . . . . 182 ARG N . 26608 1 827 . 1 1 183 183 LEU H H 1 7.575 0.020 . 1 . . . . 183 LEU H . 26608 1 828 . 1 1 183 183 LEU C C 13 178.014 0.300 . 1 . . . . 183 LEU C . 26608 1 829 . 1 1 183 183 LEU CA C 13 57.570 0.300 . 1 . . . . 183 LEU CA . 26608 1 830 . 1 1 183 183 LEU CB C 13 41.073 0.300 . 1 . . . . 183 LEU CB . 26608 1 831 . 1 1 183 183 LEU N N 15 121.500 0.300 . 1 . . . . 183 LEU N . 26608 1 832 . 1 1 184 184 LYS H H 1 8.149 0.020 . 1 . . . . 184 LYS H . 26608 1 833 . 1 1 184 184 LYS C C 13 178.078 0.300 . 1 . . . . 184 LYS C . 26608 1 834 . 1 1 184 184 LYS CA C 13 60.233 0.300 . 1 . . . . 184 LYS CA . 26608 1 835 . 1 1 184 184 LYS CB C 13 31.071 0.300 . 1 . . . . 184 LYS CB . 26608 1 836 . 1 1 184 184 LYS N N 15 116.252 0.300 . 1 . . . . 184 LYS N . 26608 1 837 . 1 1 185 185 HIS H H 1 7.675 0.020 . 1 . . . . 185 HIS H . 26608 1 838 . 1 1 185 185 HIS C C 13 178.250 0.300 . 1 . . . . 185 HIS C . 26608 1 839 . 1 1 185 185 HIS CA C 13 59.402 0.300 . 1 . . . . 185 HIS CA . 26608 1 840 . 1 1 185 185 HIS CB C 13 30.108 0.300 . 1 . . . . 185 HIS CB . 26608 1 841 . 1 1 185 185 HIS N N 15 117.556 0.300 . 1 . . . . 185 HIS N . 26608 1 842 . 1 1 186 186 VAL H H 1 7.428 0.020 . 1 . . . . 186 VAL H . 26608 1 843 . 1 1 186 186 VAL C C 13 177.541 0.300 . 1 . . . . 186 VAL C . 26608 1 844 . 1 1 186 186 VAL CA C 13 64.698 0.300 . 1 . . . . 186 VAL CA . 26608 1 845 . 1 1 186 186 VAL CB C 13 30.701 0.300 . 1 . . . . 186 VAL CB . 26608 1 846 . 1 1 186 186 VAL N N 15 117.576 0.300 . 1 . . . . 186 VAL N . 26608 1 847 . 1 1 187 187 LEU H H 1 7.881 0.020 . 1 . . . . 187 LEU H . 26608 1 848 . 1 1 187 187 LEU C C 13 177.700 0.300 . 1 . . . . 187 LEU C . 26608 1 849 . 1 1 187 187 LEU CA C 13 57.399 0.300 . 1 . . . . 187 LEU CA . 26608 1 850 . 1 1 187 187 LEU CB C 13 39.740 0.300 . 1 . . . . 187 LEU CB . 26608 1 851 . 1 1 187 187 LEU N N 15 120.015 0.300 . 1 . . . . 187 LEU N . 26608 1 852 . 1 1 188 188 LYS H H 1 7.235 0.020 . 1 . . . . 188 LYS H . 26608 1 853 . 1 1 188 188 LYS C C 13 177.926 0.300 . 1 . . . . 188 LYS C . 26608 1 854 . 1 1 188 188 LYS CA C 13 59.202 0.300 . 1 . . . . 188 LYS CA . 26608 1 855 . 1 1 188 188 LYS CB C 13 30.330 0.300 . 1 . . . . 188 LYS CB . 26608 1 856 . 1 1 188 188 LYS N N 15 118.803 0.300 . 1 . . . . 188 LYS N . 26608 1 857 . 1 1 189 189 ALA H H 1 6.839 0.020 . 1 . . . . 189 ALA H . 26608 1 858 . 1 1 189 189 ALA C C 13 181.393 0.300 . 1 . . . . 189 ALA C . 26608 1 859 . 1 1 189 189 ALA CA C 13 54.050 0.300 . 1 . . . . 189 ALA CA . 26608 1 860 . 1 1 189 189 ALA CB C 13 16.476 0.300 . 1 . . . . 189 ALA CB . 26608 1 861 . 1 1 189 189 ALA N N 15 117.016 0.300 . 1 . . . . 189 ALA N . 26608 1 862 . 1 1 190 190 LYS H H 1 7.841 0.020 . 1 . . . . 190 LYS H . 26608 1 863 . 1 1 190 190 LYS C C 13 177.227 0.300 . 1 . . . . 190 LYS C . 26608 1 864 . 1 1 190 190 LYS CA C 13 56.254 0.300 . 1 . . . . 190 LYS CA . 26608 1 865 . 1 1 190 190 LYS CB C 13 29.640 0.300 . 1 . . . . 190 LYS CB . 26608 1 866 . 1 1 190 190 LYS N N 15 116.303 0.300 . 1 . . . . 190 LYS N . 26608 1 867 . 1 1 191 191 ALA H H 1 7.421 0.020 . 1 . . . . 191 ALA H . 26608 1 868 . 1 1 191 191 ALA C C 13 179.048 0.300 . 1 . . . . 191 ALA C . 26608 1 869 . 1 1 191 191 ALA CA C 13 54.594 0.300 . 1 . . . . 191 ALA CA . 26608 1 870 . 1 1 191 191 ALA CB C 13 17.581 0.300 . 1 . . . . 191 ALA CB . 26608 1 871 . 1 1 191 191 ALA N N 15 120.033 0.300 . 1 . . . . 191 ALA N . 26608 1 872 . 1 1 192 192 VAL H H 1 7.460 0.020 . 1 . . . . 192 VAL H . 26608 1 873 . 1 1 192 192 VAL C C 13 177.425 0.300 . 1 . . . . 192 VAL C . 26608 1 874 . 1 1 192 192 VAL CA C 13 64.354 0.300 . 1 . . . . 192 VAL CA . 26608 1 875 . 1 1 192 192 VAL CB C 13 30.849 0.300 . 1 . . . . 192 VAL CB . 26608 1 876 . 1 1 192 192 VAL N N 15 115.546 0.300 . 1 . . . . 192 VAL N . 26608 1 877 . 1 1 193 193 LEU H H 1 7.521 0.020 . 1 . . . . 193 LEU H . 26608 1 878 . 1 1 193 193 LEU C C 13 176.030 0.300 . 1 . . . . 193 LEU C . 26608 1 879 . 1 1 193 193 LEU CA C 13 56.025 0.300 . 1 . . . . 193 LEU CA . 26608 1 880 . 1 1 193 193 LEU CB C 13 41.888 0.300 . 1 . . . . 193 LEU CB . 26608 1 881 . 1 1 193 193 LEU N N 15 118.483 0.300 . 1 . . . . 193 LEU N . 26608 1 882 . 1 1 194 194 CYS H H 1 7.313 0.020 . 1 . . . . 194 CYS H . 26608 1 883 . 1 1 194 194 CYS C C 13 177.543 0.300 . 1 . . . . 194 CYS C . 26608 1 884 . 1 1 194 194 CYS CA C 13 54.794 0.300 . 1 . . . . 194 CYS CA . 26608 1 885 . 1 1 194 194 CYS CB C 13 26.626 0.300 . 1 . . . . 194 CYS CB . 26608 1 886 . 1 1 194 194 CYS N N 15 117.856 0.300 . 1 . . . . 194 CYS N . 26608 1 887 . 1 1 195 195 PRO C C 13 177.926 0.300 . 1 . . . . 195 PRO C . 26608 1 888 . 1 1 195 195 PRO CA C 13 63.926 0.300 . 1 . . . . 195 PRO CA . 26608 1 889 . 1 1 195 195 PRO CB C 13 30.502 0.300 . 1 . . . . 195 PRO CB . 26608 1 890 . 1 1 196 196 GLY H H 1 8.422 0.020 . 1 . . . . 196 GLY H . 26608 1 891 . 1 1 196 196 GLY C C 13 173.614 0.300 . 1 . . . . 196 GLY C . 26608 1 892 . 1 1 196 196 GLY CA C 13 44.575 0.300 . 1 . . . . 196 GLY CA . 26608 1 893 . 1 1 196 196 GLY N N 15 113.683 0.300 . 1 . . . . 196 GLY N . 26608 1 894 . 1 1 197 197 LEU H H 1 8.346 0.020 . 1 . . . . 197 LEU H . 26608 1 895 . 1 1 197 197 LEU C C 13 176.703 0.300 . 1 . . . . 197 LEU C . 26608 1 896 . 1 1 197 197 LEU CA C 13 54.679 0.300 . 1 . . . . 197 LEU CA . 26608 1 897 . 1 1 197 197 LEU CB C 13 42.926 0.300 . 1 . . . . 197 LEU CB . 26608 1 898 . 1 1 197 197 LEU N N 15 124.323 0.300 . 1 . . . . 197 LEU N . 26608 1 899 . 1 1 198 198 SER H H 1 8.074 0.020 . 1 . . . . 198 SER H . 26608 1 900 . 1 1 198 198 SER C C 13 173.419 0.300 . 1 . . . . 198 SER C . 26608 1 901 . 1 1 198 198 SER CA C 13 57.084 0.300 . 1 . . . . 198 SER CA . 26608 1 902 . 1 1 198 198 SER CB C 13 62.189 0.300 . 1 . . . . 198 SER CB . 26608 1 903 . 1 1 198 198 SER N N 15 121.862 0.300 . 1 . . . . 198 SER N . 26608 1 904 . 1 1 199 199 VAL H H 1 8.976 0.020 . 1 . . . . 199 VAL H . 26608 1 905 . 1 1 199 199 VAL C C 13 174.390 0.300 . 1 . . . . 199 VAL C . 26608 1 906 . 1 1 199 199 VAL CA C 13 60.376 0.300 . 1 . . . . 199 VAL CA . 26608 1 907 . 1 1 199 199 VAL CB C 13 32.923 0.300 . 1 . . . . 199 VAL CB . 26608 1 908 . 1 1 199 199 VAL N N 15 127.994 0.300 . 1 . . . . 199 VAL N . 26608 1 909 . 1 1 200 200 VAL H H 1 8.914 0.020 . 1 . . . . 200 VAL H . 26608 1 910 . 1 1 200 200 VAL CA C 13 59.889 0.300 . 1 . . . . 200 VAL CA . 26608 1 911 . 1 1 200 200 VAL CB C 13 35.220 0.300 . 1 . . . . 200 VAL CB . 26608 1 912 . 1 1 200 200 VAL N N 15 126.741 0.300 . 1 . . . . 200 VAL N . 26608 1 913 . 1 1 201 201 PHE H H 1 9.193 0.020 . 1 . . . . 201 PHE H . 26608 1 914 . 1 1 201 201 PHE C C 13 172.717 0.300 . 1 . . . . 201 PHE C . 26608 1 915 . 1 1 201 201 PHE CA C 13 54.679 0.300 . 1 . . . . 201 PHE CA . 26608 1 916 . 1 1 201 201 PHE CB C 13 42.333 0.300 . 1 . . . . 201 PHE CB . 26608 1 917 . 1 1 201 201 PHE N N 15 126.354 0.300 . 1 . . . . 201 PHE N . 26608 1 918 . 1 1 202 202 GLU H H 1 8.342 0.020 . 1 . . . . 202 GLU H . 26608 1 919 . 1 1 202 202 GLU C C 13 172.239 0.300 . 1 . . . . 202 GLU C . 26608 1 920 . 1 1 202 202 GLU CA C 13 53.334 0.300 . 1 . . . . 202 GLU CA . 26608 1 921 . 1 1 202 202 GLU CB C 13 32.479 0.300 . 1 . . . . 202 GLU CB . 26608 1 922 . 1 1 202 202 GLU N N 15 127.090 0.300 . 1 . . . . 202 GLU N . 26608 1 923 . 1 1 203 203 ASP H H 1 8.190 0.020 . 1 . . . . 203 ASP H . 26608 1 924 . 1 1 203 203 ASP C C 13 178.010 0.300 . 1 . . . . 203 ASP C . 26608 1 925 . 1 1 203 203 ASP CA C 13 51.073 0.300 . 1 . . . . 203 ASP CA . 26608 1 926 . 1 1 203 203 ASP CB C 13 41.666 0.300 . 1 . . . . 203 ASP CB . 26608 1 927 . 1 1 203 203 ASP N N 15 121.897 0.300 . 1 . . . . 203 ASP N . 26608 1 928 . 1 1 204 204 LYS H H 1 9.151 0.020 . 1 . . . . 204 LYS H . 26608 1 929 . 1 1 204 204 LYS C C 13 178.645 0.300 . 1 . . . . 204 LYS C . 26608 1 930 . 1 1 204 204 LYS CA C 13 56.139 0.300 . 1 . . . . 204 LYS CA . 26608 1 931 . 1 1 204 204 LYS CB C 13 31.071 0.300 . 1 . . . . 204 LYS CB . 26608 1 932 . 1 1 204 204 LYS N N 15 122.435 0.300 . 1 . . . . 204 LYS N . 26608 1 933 . 1 1 205 205 ASN H H 1 9.244 0.020 . 1 . . . . 205 ASN H . 26608 1 934 . 1 1 205 205 ASN C C 13 176.592 0.300 . 1 . . . . 205 ASN C . 26608 1 935 . 1 1 205 205 ASN CA C 13 56.082 0.300 . 1 . . . . 205 ASN CA . 26608 1 936 . 1 1 205 205 ASN CB C 13 38.628 0.300 . 1 . . . . 205 ASN CB . 26608 1 937 . 1 1 205 205 ASN N N 15 115.593 0.300 . 1 . . . . 205 ASN N . 26608 1 938 . 1 1 206 206 THR H H 1 6.872 0.020 . 1 . . . . 206 THR H . 26608 1 939 . 1 1 206 206 THR C C 13 176.295 0.300 . 1 . . . . 206 THR C . 26608 1 940 . 1 1 206 206 THR CA C 13 60.633 0.300 . 1 . . . . 206 THR CA . 26608 1 941 . 1 1 206 206 THR CB C 13 70.635 0.300 . 1 . . . . 206 THR CB . 26608 1 942 . 1 1 206 206 THR N N 15 104.112 0.300 . 1 . . . . 206 THR N . 26608 1 943 . 1 1 207 207 GLY H H 1 8.409 0.020 . 1 . . . . 207 GLY H . 26608 1 944 . 1 1 207 207 GLY C C 13 173.614 0.300 . 1 . . . . 207 GLY C . 26608 1 945 . 1 1 207 207 GLY CA C 13 44.575 0.300 . 1 . . . . 207 GLY CA . 26608 1 946 . 1 1 207 207 GLY N N 15 111.603 0.300 . 1 . . . . 207 GLY N . 26608 1 947 . 1 1 208 208 GLU H H 1 7.785 0.020 . 1 . . . . 208 GLU H . 26608 1 948 . 1 1 208 208 GLU C C 13 174.400 0.300 . 1 . . . . 208 GLU C . 26608 1 949 . 1 1 208 208 GLU CA C 13 56.655 0.300 . 1 . . . . 208 GLU CA . 26608 1 950 . 1 1 208 208 GLU CB C 13 29.738 0.300 . 1 . . . . 208 GLU CB . 26608 1 951 . 1 1 208 208 GLU N N 15 122.630 0.300 . 1 . . . . 208 GLU N . 26608 1 952 . 1 1 209 209 ARG H H 1 8.158 0.020 . 1 . . . . 209 ARG H . 26608 1 953 . 1 1 209 209 ARG C C 13 174.812 0.300 . 1 . . . . 209 ARG C . 26608 1 954 . 1 1 209 209 ARG CA C 13 54.679 0.300 . 1 . . . . 209 ARG CA . 26608 1 955 . 1 1 209 209 ARG CB C 13 31.442 0.300 . 1 . . . . 209 ARG CB . 26608 1 956 . 1 1 209 209 ARG N N 15 126.345 0.300 . 1 . . . . 209 ARG N . 26608 1 957 . 1 1 210 210 VAL H H 1 9.258 0.020 . 1 . . . . 210 VAL H . 26608 1 958 . 1 1 210 210 VAL C C 13 171.638 0.300 . 1 . . . . 210 VAL C . 26608 1 959 . 1 1 210 210 VAL CA C 13 59.746 0.300 . 1 . . . . 210 VAL CA . 26608 1 960 . 1 1 210 210 VAL CB C 13 34.035 0.300 . 1 . . . . 210 VAL CB . 26608 1 961 . 1 1 210 210 VAL N N 15 127.288 0.300 . 1 . . . . 210 VAL N . 26608 1 962 . 1 1 211 211 GLU H H 1 7.746 0.020 . 1 . . . . 211 GLU H . 26608 1 963 . 1 1 211 211 GLU C C 13 175.009 0.300 . 1 . . . . 211 GLU C . 26608 1 964 . 1 1 211 211 GLU CA C 13 53.019 0.300 . 1 . . . . 211 GLU CA . 26608 1 965 . 1 1 211 211 GLU CB C 13 32.108 0.300 . 1 . . . . 211 GLU CB . 26608 1 966 . 1 1 211 211 GLU N N 15 123.416 0.300 . 1 . . . . 211 GLU N . 26608 1 967 . 1 1 212 212 TRP H H 1 9.594 0.020 . 1 . . . . 212 TRP H . 26608 1 968 . 1 1 212 212 TRP C C 13 174.136 0.300 . 1 . . . . 212 TRP C . 26608 1 969 . 1 1 212 212 TRP CA C 13 57.714 0.300 . 1 . . . . 212 TRP CA . 26608 1 970 . 1 1 212 212 TRP CB C 13 31.145 0.300 . 1 . . . . 212 TRP CB . 26608 1 971 . 1 1 212 212 TRP N N 15 124.798 0.300 . 1 . . . . 212 TRP N . 26608 1 972 . 1 1 213 213 HIS H H 1 7.908 0.020 . 1 . . . . 213 HIS H . 26608 1 973 . 1 1 213 213 HIS C C 13 172.823 0.300 . 1 . . . . 213 HIS C . 26608 1 974 . 1 1 213 213 HIS CA C 13 55.481 0.300 . 1 . . . . 213 HIS CA . 26608 1 975 . 1 1 213 213 HIS CB C 13 30.397 0.300 . 1 . . . . 213 HIS CB . 26608 1 976 . 1 1 213 213 HIS N N 15 119.204 0.300 . 1 . . . . 213 HIS N . 26608 1 977 . 1 1 214 214 PHE H H 1 9.963 0.020 . 1 . . . . 214 PHE H . 26608 1 978 . 1 1 214 214 PHE C C 13 175.048 0.300 . 1 . . . . 214 PHE C . 26608 1 979 . 1 1 214 214 PHE CA C 13 56.569 0.300 . 1 . . . . 214 PHE CA . 26608 1 980 . 1 1 214 214 PHE CB C 13 39.517 0.300 . 1 . . . . 214 PHE CB . 26608 1 981 . 1 1 214 214 PHE N N 15 128.133 0.300 . 1 . . . . 214 PHE N . 26608 1 982 . 1 1 215 215 GLU H H 1 8.520 0.020 . 1 . . . . 215 GLU H . 26608 1 983 . 1 1 215 215 GLU C C 13 176.028 0.300 . 1 . . . . 215 GLU C . 26608 1 984 . 1 1 215 215 GLU CA C 13 55.968 0.300 . 1 . . . . 215 GLU CA . 26608 1 985 . 1 1 215 215 GLU CB C 13 30.034 0.300 . 1 . . . . 215 GLU CB . 26608 1 986 . 1 1 215 215 GLU N N 15 121.419 0.300 . 1 . . . . 215 GLU N . 26608 1 987 . 1 1 216 216 ASP H H 1 8.509 0.020 . 1 . . . . 216 ASP H . 26608 1 988 . 1 1 216 216 ASP C C 13 176.656 0.300 . 1 . . . . 216 ASP C . 26608 1 989 . 1 1 216 216 ASP CA C 13 53.792 0.300 . 1 . . . . 216 ASP CA . 26608 1 990 . 1 1 216 216 ASP CB C 13 40.777 0.300 . 1 . . . . 216 ASP CB . 26608 1 991 . 1 1 216 216 ASP N N 15 120.447 0.300 . 1 . . . . 216 ASP N . 26608 1 992 . 1 1 217 217 GLY H H 1 8.365 0.020 . 1 . . . . 217 GLY H . 26608 1 993 . 1 1 217 217 GLY C C 13 174.164 0.300 . 1 . . . . 217 GLY C . 26608 1 994 . 1 1 217 217 GLY CA C 13 45.090 0.300 . 1 . . . . 217 GLY CA . 26608 1 995 . 1 1 217 217 GLY N N 15 108.927 0.300 . 1 . . . . 217 GLY N . 26608 1 996 . 1 1 218 218 LEU H H 1 8.037 0.020 . 1 . . . . 218 LEU H . 26608 1 997 . 1 1 218 218 LEU C C 13 177.262 0.300 . 1 . . . . 218 LEU C . 26608 1 998 . 1 1 218 218 LEU CA C 13 54.565 0.300 . 1 . . . . 218 LEU CA . 26608 1 999 . 1 1 218 218 LEU CB C 13 41.221 0.300 . 1 . . . . 218 LEU CB . 26608 1 1000 . 1 1 218 218 LEU N N 15 120.946 0.300 . 1 . . . . 218 LEU N . 26608 1 1001 . 1 1 219 219 GLU H H 1 8.415 0.020 . 1 . . . . 219 GLU H . 26608 1 1002 . 1 1 219 219 GLU C C 13 176.246 0.300 . 1 . . . . 219 GLU C . 26608 1 1003 . 1 1 219 219 GLU CA C 13 56.225 0.300 . 1 . . . . 219 GLU CA . 26608 1 1004 . 1 1 219 219 GLU CB C 13 29.054 0.300 . 1 . . . . 219 GLU CB . 26608 1 1005 . 1 1 219 219 GLU N N 15 120.651 0.300 . 1 . . . . 219 GLU N . 26608 1 1006 . 1 1 220 220 HIS H H 1 8.206 0.020 . 1 . . . . 220 HIS H . 26608 1 1007 . 1 1 220 220 HIS C C 13 175.009 0.300 . 1 . . . . 220 HIS C . 26608 1 1008 . 1 1 220 220 HIS CA C 13 55.567 0.300 . 1 . . . . 220 HIS CA . 26608 1 1009 . 1 1 220 220 HIS CB C 13 29.664 0.300 . 1 . . . . 220 HIS CB . 26608 1 1010 . 1 1 220 220 HIS N N 15 119.794 0.300 . 1 . . . . 220 HIS N . 26608 1 1011 . 1 1 221 221 HIS H H 1 7.997 0.020 . 1 . . . . 221 HIS H . 26608 1 1012 . 1 1 221 221 HIS C C 13 179.448 0.300 . 1 . . . . 221 HIS C . 26608 1 1013 . 1 1 221 221 HIS CA C 13 56.998 0.300 . 1 . . . . 221 HIS CA . 26608 1 1014 . 1 1 221 221 HIS CB C 13 29.886 0.300 . 1 . . . . 221 HIS CB . 26608 1 1015 . 1 1 221 221 HIS N N 15 125.362 0.300 . 1 . . . . 221 HIS N . 26608 1 stop_ save_