data_27043 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27043 _Entry.Title ; NMR resonance assignment of New Delhi Metallo-beta-lactamase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-03-05 _Entry.Accession_date 2017-03-05 _Entry.Last_release_date 2017-03-06 _Entry.Original_release_date 2017-03-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Guohua Xu . . . . 27043 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27043 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 383 27043 '15N chemical shifts' 182 27043 '1H chemical shifts' 182 27043 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2018-05-18 2017-01-01 update BMRB 'update entry citation' 27043 1 . . 2017-03-17 2017-01-01 original author 'original release' 27043 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27043 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28808891 _Citation.Full_citation . _Citation.Title ; NMR resonance assignment of New Delhi Metallo-beta-lactamase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 239 _Citation.Page_last 242 _Citation.Year 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Chendie Yao . . . . 27043 1 2 Qiong Wu . . . . 27043 1 3 Guohua Xu . . . . 27043 1 4 Conggang Li . . . . 27043 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27043 _Assembly.ID 1 _Assembly.Name NDM-1 _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 NDM-1 1 $NDM-1 A . yes native no no . . . 27043 1 2 Zn2+ 2 $entity_ZN B . no native no no . . . 27043 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NDM-1 _Entity.Sf_category entity _Entity.Sf_framecode NDM-1 _Entity.Entry_ID 27043 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NDM-1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(D) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MELPNIMHPVAKLSTALAAA LMLSGCMPGEIRPTIGQQME TGDQRFGDLVFRQLAPNVWQ HTSYLDMPGFGAVASNGLIV RDGGRVLVVDTAWTDDQTAQ ILNWIKQEINLPVALAVVTH AHQDKMGGMDALHAAGIATY ANALSNQLAPQEGMVAAQHS LTFAANGWVEPATAPNFGPL KVFYPGPGHTSDNITVGIDG TDIAFGGCLIKDSKAKSLGN LGDADTEHYAASARAFGAAF PKASMIVMSHSAPDSRAAIT HTARMADKLRLEHHHHHH ; _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 278 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _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 . MET . 27043 1 2 . GLU . 27043 1 3 . LEU . 27043 1 4 . PRO . 27043 1 5 . ASN . 27043 1 6 . ILE . 27043 1 7 . MET . 27043 1 8 . HIS . 27043 1 9 . PRO . 27043 1 10 . VAL . 27043 1 11 . ALA . 27043 1 12 . LYS . 27043 1 13 . LEU . 27043 1 14 . SER . 27043 1 15 . THR . 27043 1 16 . ALA . 27043 1 17 . LEU . 27043 1 18 . ALA . 27043 1 19 . ALA . 27043 1 20 . ALA . 27043 1 21 . LEU . 27043 1 22 . MET . 27043 1 23 . LEU . 27043 1 24 . SER . 27043 1 25 . GLY . 27043 1 26 . CYS . 27043 1 27 . MET . 27043 1 28 . PRO . 27043 1 29 . GLY . 27043 1 30 . GLU . 27043 1 31 . ILE . 27043 1 32 . ARG . 27043 1 33 . PRO . 27043 1 34 . THR . 27043 1 35 . ILE . 27043 1 36 . GLY . 27043 1 37 . GLN . 27043 1 38 . GLN . 27043 1 39 . MET . 27043 1 40 . GLU . 27043 1 41 . THR . 27043 1 42 . GLY . 27043 1 43 . ASP . 27043 1 44 . GLN . 27043 1 45 . ARG . 27043 1 46 . PHE . 27043 1 47 . GLY . 27043 1 48 . ASP . 27043 1 49 . LEU . 27043 1 50 . VAL . 27043 1 51 . PHE . 27043 1 52 . ARG . 27043 1 53 . GLN . 27043 1 54 . LEU . 27043 1 55 . ALA . 27043 1 56 . PRO . 27043 1 57 . ASN . 27043 1 58 . VAL . 27043 1 59 . TRP . 27043 1 60 . GLN . 27043 1 61 . HIS . 27043 1 62 . THR . 27043 1 63 . SER . 27043 1 64 . TYR . 27043 1 65 . LEU . 27043 1 66 . ASP . 27043 1 67 . MET . 27043 1 68 . PRO . 27043 1 69 . GLY . 27043 1 70 . PHE . 27043 1 71 . GLY . 27043 1 72 . ALA . 27043 1 73 . VAL . 27043 1 74 . ALA . 27043 1 75 . SER . 27043 1 76 . ASN . 27043 1 77 . GLY . 27043 1 78 . LEU . 27043 1 79 . ILE . 27043 1 80 . VAL . 27043 1 81 . ARG . 27043 1 82 . ASP . 27043 1 83 . GLY . 27043 1 84 . GLY . 27043 1 85 . ARG . 27043 1 86 . VAL . 27043 1 87 . LEU . 27043 1 88 . VAL . 27043 1 89 . VAL . 27043 1 90 . ASP . 27043 1 91 . THR . 27043 1 92 . ALA . 27043 1 93 . TRP . 27043 1 94 . THR . 27043 1 95 . ASP . 27043 1 96 . ASP . 27043 1 97 . GLN . 27043 1 98 . THR . 27043 1 99 . ALA . 27043 1 100 . GLN . 27043 1 101 . ILE . 27043 1 102 . LEU . 27043 1 103 . ASN . 27043 1 104 . TRP . 27043 1 105 . ILE . 27043 1 106 . LYS . 27043 1 107 . GLN . 27043 1 108 . GLU . 27043 1 109 . ILE . 27043 1 110 . ASN . 27043 1 111 . LEU . 27043 1 112 . PRO . 27043 1 113 . VAL . 27043 1 114 . ALA . 27043 1 115 . LEU . 27043 1 116 . ALA . 27043 1 117 . VAL . 27043 1 118 . VAL . 27043 1 119 . THR . 27043 1 120 . HIS . 27043 1 121 . ALA . 27043 1 122 . HIS . 27043 1 123 . GLN . 27043 1 124 . ASP . 27043 1 125 . LYS . 27043 1 126 . MET . 27043 1 127 . GLY . 27043 1 128 . GLY . 27043 1 129 . MET . 27043 1 130 . ASP . 27043 1 131 . ALA . 27043 1 132 . LEU . 27043 1 133 . HIS . 27043 1 134 . ALA . 27043 1 135 . ALA . 27043 1 136 . GLY . 27043 1 137 . ILE . 27043 1 138 . ALA . 27043 1 139 . THR . 27043 1 140 . TYR . 27043 1 141 . ALA . 27043 1 142 . ASN . 27043 1 143 . ALA . 27043 1 144 . LEU . 27043 1 145 . SER . 27043 1 146 . ASN . 27043 1 147 . GLN . 27043 1 148 . LEU . 27043 1 149 . ALA . 27043 1 150 . PRO . 27043 1 151 . GLN . 27043 1 152 . GLU . 27043 1 153 . GLY . 27043 1 154 . MET . 27043 1 155 . VAL . 27043 1 156 . ALA . 27043 1 157 . ALA . 27043 1 158 . GLN . 27043 1 159 . HIS . 27043 1 160 . SER . 27043 1 161 . LEU . 27043 1 162 . THR . 27043 1 163 . PHE . 27043 1 164 . ALA . 27043 1 165 . ALA . 27043 1 166 . ASN . 27043 1 167 . GLY . 27043 1 168 . TRP . 27043 1 169 . VAL . 27043 1 170 . GLU . 27043 1 171 . PRO . 27043 1 172 . ALA . 27043 1 173 . THR . 27043 1 174 . ALA . 27043 1 175 . PRO . 27043 1 176 . ASN . 27043 1 177 . PHE . 27043 1 178 . GLY . 27043 1 179 . PRO . 27043 1 180 . LEU . 27043 1 181 . LYS . 27043 1 182 . VAL . 27043 1 183 . PHE . 27043 1 184 . TYR . 27043 1 185 . PRO . 27043 1 186 . GLY . 27043 1 187 . PRO . 27043 1 188 . GLY . 27043 1 189 . HIS . 27043 1 190 . THR . 27043 1 191 . SER . 27043 1 192 . ASP . 27043 1 193 . ASN . 27043 1 194 . ILE . 27043 1 195 . THR . 27043 1 196 . VAL . 27043 1 197 . GLY . 27043 1 198 . ILE . 27043 1 199 . ASP . 27043 1 200 . GLY . 27043 1 201 . THR . 27043 1 202 . ASP . 27043 1 203 . ILE . 27043 1 204 . ALA . 27043 1 205 . PHE . 27043 1 206 . GLY . 27043 1 207 . GLY . 27043 1 208 . CYS . 27043 1 209 . LEU . 27043 1 210 . ILE . 27043 1 211 . LYS . 27043 1 212 . ASP . 27043 1 213 . SER . 27043 1 214 . LYS . 27043 1 215 . ALA . 27043 1 216 . LYS . 27043 1 217 . SER . 27043 1 218 . LEU . 27043 1 219 . GLY . 27043 1 220 . ASN . 27043 1 221 . LEU . 27043 1 222 . GLY . 27043 1 223 . ASP . 27043 1 224 . ALA . 27043 1 225 . ASP . 27043 1 226 . THR . 27043 1 227 . GLU . 27043 1 228 . HIS . 27043 1 229 . TYR . 27043 1 230 . ALA . 27043 1 231 . ALA . 27043 1 232 . SER . 27043 1 233 . ALA . 27043 1 234 . ARG . 27043 1 235 . ALA . 27043 1 236 . PHE . 27043 1 237 . GLY . 27043 1 238 . ALA . 27043 1 239 . ALA . 27043 1 240 . PHE . 27043 1 241 . PRO . 27043 1 242 . LYS . 27043 1 243 . ALA . 27043 1 244 . SER . 27043 1 245 . MET . 27043 1 246 . ILE . 27043 1 247 . VAL . 27043 1 248 . MET . 27043 1 249 . SER . 27043 1 250 . HIS . 27043 1 251 . SER . 27043 1 252 . ALA . 27043 1 253 . PRO . 27043 1 254 . ASP . 27043 1 255 . SER . 27043 1 256 . ARG . 27043 1 257 . ALA . 27043 1 258 . ALA . 27043 1 259 . ILE . 27043 1 260 . THR . 27043 1 261 . HIS . 27043 1 262 . THR . 27043 1 263 . ALA . 27043 1 264 . ARG . 27043 1 265 . MET . 27043 1 266 . ALA . 27043 1 267 . ASP . 27043 1 268 . LYS . 27043 1 269 . LEU . 27043 1 270 . ARG . 27043 1 271 . LEU . 27043 1 272 . GLU . 27043 1 273 . HIS . 27043 1 274 . HIS . 27043 1 275 . HIS . 27043 1 276 . HIS . 27043 1 277 . HIS . 27043 1 278 . HIS . 27043 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 27043 1 . GLU 2 2 27043 1 . LEU 3 3 27043 1 . PRO 4 4 27043 1 . ASN 5 5 27043 1 . ILE 6 6 27043 1 . MET 7 7 27043 1 . HIS 8 8 27043 1 . PRO 9 9 27043 1 . VAL 10 10 27043 1 . ALA 11 11 27043 1 . LYS 12 12 27043 1 . LEU 13 13 27043 1 . SER 14 14 27043 1 . THR 15 15 27043 1 . ALA 16 16 27043 1 . LEU 17 17 27043 1 . ALA 18 18 27043 1 . ALA 19 19 27043 1 . ALA 20 20 27043 1 . LEU 21 21 27043 1 . MET 22 22 27043 1 . LEU 23 23 27043 1 . SER 24 24 27043 1 . GLY 25 25 27043 1 . CYS 26 26 27043 1 . MET 27 27 27043 1 . PRO 28 28 27043 1 . GLY 29 29 27043 1 . GLU 30 30 27043 1 . ILE 31 31 27043 1 . ARG 32 32 27043 1 . PRO 33 33 27043 1 . THR 34 34 27043 1 . ILE 35 35 27043 1 . GLY 36 36 27043 1 . GLN 37 37 27043 1 . GLN 38 38 27043 1 . MET 39 39 27043 1 . GLU 40 40 27043 1 . THR 41 41 27043 1 . GLY 42 42 27043 1 . ASP 43 43 27043 1 . GLN 44 44 27043 1 . ARG 45 45 27043 1 . PHE 46 46 27043 1 . GLY 47 47 27043 1 . ASP 48 48 27043 1 . LEU 49 49 27043 1 . VAL 50 50 27043 1 . PHE 51 51 27043 1 . ARG 52 52 27043 1 . GLN 53 53 27043 1 . LEU 54 54 27043 1 . ALA 55 55 27043 1 . PRO 56 56 27043 1 . ASN 57 57 27043 1 . VAL 58 58 27043 1 . TRP 59 59 27043 1 . GLN 60 60 27043 1 . HIS 61 61 27043 1 . THR 62 62 27043 1 . SER 63 63 27043 1 . TYR 64 64 27043 1 . LEU 65 65 27043 1 . ASP 66 66 27043 1 . MET 67 67 27043 1 . PRO 68 68 27043 1 . GLY 69 69 27043 1 . PHE 70 70 27043 1 . GLY 71 71 27043 1 . ALA 72 72 27043 1 . VAL 73 73 27043 1 . ALA 74 74 27043 1 . SER 75 75 27043 1 . ASN 76 76 27043 1 . GLY 77 77 27043 1 . LEU 78 78 27043 1 . ILE 79 79 27043 1 . VAL 80 80 27043 1 . ARG 81 81 27043 1 . ASP 82 82 27043 1 . GLY 83 83 27043 1 . GLY 84 84 27043 1 . ARG 85 85 27043 1 . VAL 86 86 27043 1 . LEU 87 87 27043 1 . VAL 88 88 27043 1 . VAL 89 89 27043 1 . ASP 90 90 27043 1 . THR 91 91 27043 1 . ALA 92 92 27043 1 . TRP 93 93 27043 1 . THR 94 94 27043 1 . ASP 95 95 27043 1 . ASP 96 96 27043 1 . GLN 97 97 27043 1 . THR 98 98 27043 1 . ALA 99 99 27043 1 . GLN 100 100 27043 1 . ILE 101 101 27043 1 . LEU 102 102 27043 1 . ASN 103 103 27043 1 . TRP 104 104 27043 1 . ILE 105 105 27043 1 . LYS 106 106 27043 1 . GLN 107 107 27043 1 . GLU 108 108 27043 1 . ILE 109 109 27043 1 . ASN 110 110 27043 1 . LEU 111 111 27043 1 . PRO 112 112 27043 1 . VAL 113 113 27043 1 . ALA 114 114 27043 1 . LEU 115 115 27043 1 . ALA 116 116 27043 1 . VAL 117 117 27043 1 . VAL 118 118 27043 1 . THR 119 119 27043 1 . HIS 120 120 27043 1 . ALA 121 121 27043 1 . HIS 122 122 27043 1 . GLN 123 123 27043 1 . ASP 124 124 27043 1 . LYS 125 125 27043 1 . MET 126 126 27043 1 . GLY 127 127 27043 1 . GLY 128 128 27043 1 . MET 129 129 27043 1 . ASP 130 130 27043 1 . ALA 131 131 27043 1 . LEU 132 132 27043 1 . HIS 133 133 27043 1 . ALA 134 134 27043 1 . ALA 135 135 27043 1 . GLY 136 136 27043 1 . ILE 137 137 27043 1 . ALA 138 138 27043 1 . THR 139 139 27043 1 . TYR 140 140 27043 1 . ALA 141 141 27043 1 . ASN 142 142 27043 1 . ALA 143 143 27043 1 . LEU 144 144 27043 1 . SER 145 145 27043 1 . ASN 146 146 27043 1 . GLN 147 147 27043 1 . LEU 148 148 27043 1 . ALA 149 149 27043 1 . PRO 150 150 27043 1 . GLN 151 151 27043 1 . GLU 152 152 27043 1 . GLY 153 153 27043 1 . MET 154 154 27043 1 . VAL 155 155 27043 1 . ALA 156 156 27043 1 . ALA 157 157 27043 1 . GLN 158 158 27043 1 . HIS 159 159 27043 1 . SER 160 160 27043 1 . LEU 161 161 27043 1 . THR 162 162 27043 1 . PHE 163 163 27043 1 . ALA 164 164 27043 1 . ALA 165 165 27043 1 . ASN 166 166 27043 1 . GLY 167 167 27043 1 . TRP 168 168 27043 1 . VAL 169 169 27043 1 . GLU 170 170 27043 1 . PRO 171 171 27043 1 . ALA 172 172 27043 1 . THR 173 173 27043 1 . ALA 174 174 27043 1 . PRO 175 175 27043 1 . ASN 176 176 27043 1 . PHE 177 177 27043 1 . GLY 178 178 27043 1 . PRO 179 179 27043 1 . LEU 180 180 27043 1 . LYS 181 181 27043 1 . VAL 182 182 27043 1 . PHE 183 183 27043 1 . TYR 184 184 27043 1 . PRO 185 185 27043 1 . GLY 186 186 27043 1 . PRO 187 187 27043 1 . GLY 188 188 27043 1 . HIS 189 189 27043 1 . THR 190 190 27043 1 . SER 191 191 27043 1 . ASP 192 192 27043 1 . ASN 193 193 27043 1 . ILE 194 194 27043 1 . THR 195 195 27043 1 . VAL 196 196 27043 1 . GLY 197 197 27043 1 . ILE 198 198 27043 1 . ASP 199 199 27043 1 . GLY 200 200 27043 1 . THR 201 201 27043 1 . ASP 202 202 27043 1 . ILE 203 203 27043 1 . ALA 204 204 27043 1 . PHE 205 205 27043 1 . GLY 206 206 27043 1 . GLY 207 207 27043 1 . CYS 208 208 27043 1 . LEU 209 209 27043 1 . ILE 210 210 27043 1 . LYS 211 211 27043 1 . ASP 212 212 27043 1 . SER 213 213 27043 1 . LYS 214 214 27043 1 . ALA 215 215 27043 1 . LYS 216 216 27043 1 . SER 217 217 27043 1 . LEU 218 218 27043 1 . GLY 219 219 27043 1 . ASN 220 220 27043 1 . LEU 221 221 27043 1 . GLY 222 222 27043 1 . ASP 223 223 27043 1 . ALA 224 224 27043 1 . ASP 225 225 27043 1 . THR 226 226 27043 1 . GLU 227 227 27043 1 . HIS 228 228 27043 1 . TYR 229 229 27043 1 . ALA 230 230 27043 1 . ALA 231 231 27043 1 . SER 232 232 27043 1 . ALA 233 233 27043 1 . ARG 234 234 27043 1 . ALA 235 235 27043 1 . PHE 236 236 27043 1 . GLY 237 237 27043 1 . ALA 238 238 27043 1 . ALA 239 239 27043 1 . PHE 240 240 27043 1 . PRO 241 241 27043 1 . LYS 242 242 27043 1 . ALA 243 243 27043 1 . SER 244 244 27043 1 . MET 245 245 27043 1 . ILE 246 246 27043 1 . VAL 247 247 27043 1 . MET 248 248 27043 1 . SER 249 249 27043 1 . HIS 250 250 27043 1 . SER 251 251 27043 1 . ALA 252 252 27043 1 . PRO 253 253 27043 1 . ASP 254 254 27043 1 . SER 255 255 27043 1 . ARG 256 256 27043 1 . ALA 257 257 27043 1 . ALA 258 258 27043 1 . ILE 259 259 27043 1 . THR 260 260 27043 1 . HIS 261 261 27043 1 . THR 262 262 27043 1 . ALA 263 263 27043 1 . ARG 264 264 27043 1 . MET 265 265 27043 1 . ALA 266 266 27043 1 . ASP 267 267 27043 1 . LYS 268 268 27043 1 . LEU 269 269 27043 1 . ARG 270 270 27043 1 . LEU 271 271 27043 1 . GLU 272 272 27043 1 . HIS 273 273 27043 1 . HIS 274 274 27043 1 . HIS 275 275 27043 1 . HIS 276 276 27043 1 . HIS 277 277 27043 1 . HIS 278 278 27043 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 27043 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 27043 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 27043 2 ZN 'Three letter code' 27043 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 27043 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27043 _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 $NDM-1 . . organism . Superbug Superbacteria . . . . . . . . . . . . . . . . . . . 27043 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 27043 _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 $NDM-1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-21a . . . 27043 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 27043 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 27043 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 27043 ZN [Zn++] SMILES CACTVS 3.341 27043 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 27043 ZN [Zn+2] SMILES ACDLabs 10.04 27043 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 27043 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 27043 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 27043 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 27043 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 27043 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27043 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.3 mM NDM-1 in 50 mM HEPES in 95% H2O/5% D2O at pH 7.5' _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 NDM-1 '[U-13C; U-15N]' . . 1 $NDM-1 . . 0.3 . . mM . . . . 27043 1 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 27043 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 27043 _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' 0 . M 27043 1 pH 7.5 . pH 27043 1 pressure 1 . atm 27043 1 temperature 298 . K 27043 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27043 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27043 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27043 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27043 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27043 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27043 2 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 27043 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 27043 _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 . 850 . . . 27043 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 27043 _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 TROSY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27043 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27043 1 3 '3D TROSY-HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27043 1 4 '3D TROSY-HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27043 1 5 '3D TROSY-HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27043 1 6 '3D TROSY-HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27043 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 27043 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 internal indirect 0.251449530 . . . . . 27043 1 H 1 water protons . . . . ppm 4.7 internal direct 1.000000000 . . . . . 27043 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.101329118 . . . . . 27043 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 27043 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'TROSY offset: amide nitrogens; amide protons.' _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 3 '3D TROSY-HNCA' . . . 27043 1 4 '3D TROSY-HNCACB' . . . 27043 1 5 '3D TROSY-HN(CO)CA' . . . 27043 1 6 '3D TROSY-HN(CO)CACB' . . . 27043 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $SPARKY . . 27043 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 42 42 GLY CA C 13 44.447 . . 1 . . . . . 42 GLY CA . 27043 1 2 . 1 1 43 43 ASP H H 1 8.093 . . 1 . . . . . 43 ASP H . 27043 1 3 . 1 1 43 43 ASP CA C 13 54.596 . . 1 . . . . . 43 ASP CA . 27043 1 4 . 1 1 43 43 ASP CB C 13 40.743 . . 1 . . . . . 43 ASP CB . 27043 1 5 . 1 1 43 43 ASP N N 15 121.867 . . 1 . . . . . 43 ASP N . 27043 1 6 . 1 1 44 44 GLN H H 1 9.092 . . 1 . . . . . 44 GLN H . 27043 1 7 . 1 1 44 44 GLN CA C 13 54.315 . . 1 . . . . . 44 GLN CA . 27043 1 8 . 1 1 44 44 GLN CB C 13 29.972 . . 1 . . . . . 44 GLN CB . 27043 1 9 . 1 1 44 44 GLN N N 15 122.639 . . 1 . . . . . 44 GLN N . 27043 1 10 . 1 1 45 45 ARG H H 1 8.745 . . 1 . . . . . 45 ARG H . 27043 1 11 . 1 1 45 45 ARG CA C 13 55.394 . . 1 . . . . . 45 ARG CA . 27043 1 12 . 1 1 45 45 ARG CB C 13 29.903 . . 1 . . . . . 45 ARG CB . 27043 1 13 . 1 1 45 45 ARG N N 15 125.434 . . 1 . . . . . 45 ARG N . 27043 1 14 . 1 1 46 46 PHE H H 1 8.588 . . 1 . . . . . 46 PHE H . 27043 1 15 . 1 1 46 46 PHE CA C 13 57.22 . . 1 . . . . . 46 PHE CA . 27043 1 16 . 1 1 46 46 PHE CB C 13 40.537 . . 1 . . . . . 46 PHE CB . 27043 1 17 . 1 1 46 46 PHE N N 15 128.252 . . 1 . . . . . 46 PHE N . 27043 1 18 . 1 1 47 47 GLY H H 1 8.553 . . 1 . . . . . 47 GLY H . 27043 1 19 . 1 1 47 47 GLY CA C 13 46.421 . . 1 . . . . . 47 GLY CA . 27043 1 20 . 1 1 47 47 GLY N N 15 116.689 . . 1 . . . . . 47 GLY N . 27043 1 21 . 1 1 48 48 ASP H H 1 9.213 . . 1 . . . . . 48 ASP H . 27043 1 22 . 1 1 48 48 ASP CA C 13 54.521 . . 1 . . . . . 48 ASP CA . 27043 1 23 . 1 1 48 48 ASP CB C 13 40.74 . . 1 . . . . . 48 ASP CB . 27043 1 24 . 1 1 48 48 ASP N N 15 127.218 . . 1 . . . . . 48 ASP N . 27043 1 25 . 1 1 49 49 LEU H H 1 8.366 . . 1 . . . . . 49 LEU H . 27043 1 26 . 1 1 49 49 LEU CA C 13 53.871 . . 1 . . . . . 49 LEU CA . 27043 1 27 . 1 1 49 49 LEU CB C 13 44.575 . . 1 . . . . . 49 LEU CB . 27043 1 28 . 1 1 49 49 LEU N N 15 124.666 . . 1 . . . . . 49 LEU N . 27043 1 29 . 1 1 50 50 VAL H H 1 7.975 . . 1 . . . . . 50 VAL H . 27043 1 30 . 1 1 50 50 VAL CA C 13 60.575 . . 1 . . . . . 50 VAL CA . 27043 1 31 . 1 1 50 50 VAL CB C 13 34.345 . . 1 . . . . . 50 VAL CB . 27043 1 32 . 1 1 50 50 VAL N N 15 119.642 . . 1 . . . . . 50 VAL N . 27043 1 33 . 1 1 51 51 PHE H H 1 8.774 . . 1 . . . . . 51 PHE H . 27043 1 34 . 1 1 51 51 PHE CA C 13 55.71 . . 1 . . . . . 51 PHE CA . 27043 1 35 . 1 1 51 51 PHE CB C 13 42.106 . . 1 . . . . . 51 PHE CB . 27043 1 36 . 1 1 51 51 PHE N N 15 123.237 . . 1 . . . . . 51 PHE N . 27043 1 37 . 1 1 52 52 ARG H H 1 8.459 . . 1 . . . . . 52 ARG H . 27043 1 38 . 1 1 52 52 ARG CA C 13 54.222 . . 1 . . . . . 52 ARG CA . 27043 1 39 . 1 1 52 52 ARG CB C 13 33.829 . . 1 . . . . . 52 ARG CB . 27043 1 40 . 1 1 52 52 ARG N N 15 121.366 . . 1 . . . . . 52 ARG N . 27043 1 41 . 1 1 53 53 GLN CA C 13 56.99 . . 1 . . . . . 53 GLN CA . 27043 1 42 . 1 1 53 53 GLN CB C 13 27.163 . . 1 . . . . . 53 GLN CB . 27043 1 43 . 1 1 54 54 LEU H H 1 8.729 . . 1 . . . . . 54 LEU H . 27043 1 44 . 1 1 54 54 LEU CA C 13 54.447 . . 1 . . . . . 54 LEU CA . 27043 1 45 . 1 1 54 54 LEU CB C 13 42.952 . . 1 . . . . . 54 LEU CB . 27043 1 46 . 1 1 54 54 LEU N N 15 128.014 . . 1 . . . . . 54 LEU N . 27043 1 47 . 1 1 55 55 ALA H H 1 8.212 . . 1 . . . . . 55 ALA H . 27043 1 48 . 1 1 55 55 ALA CA C 13 49.658 . . 1 . . . . . 55 ALA CA . 27043 1 49 . 1 1 55 55 ALA CB C 13 18.004 . . 1 . . . . . 55 ALA CB . 27043 1 50 . 1 1 55 55 ALA N N 15 122.004 . . 1 . . . . . 55 ALA N . 27043 1 51 . 1 1 59 59 TRP CA C 13 56.768 . . 1 . . . . . 59 TRP CA . 27043 1 52 . 1 1 59 59 TRP CB C 13 33.368 . . 1 . . . . . 59 TRP CB . 27043 1 53 . 1 1 60 60 GLN H H 1 9.616 . . 1 . . . . . 60 GLN H . 27043 1 54 . 1 1 60 60 GLN CA C 13 53.567 . . 1 . . . . . 60 GLN CA . 27043 1 55 . 1 1 60 60 GLN CB C 13 33.835 . . 1 . . . . . 60 GLN CB . 27043 1 56 . 1 1 60 60 GLN N N 15 123.134 . . 1 . . . . . 60 GLN N . 27043 1 57 . 1 1 61 61 HIS H H 1 8.004 . . 1 . . . . . 61 HIS H . 27043 1 58 . 1 1 61 61 HIS CA C 13 52.896 . . 1 . . . . . 61 HIS CA . 27043 1 59 . 1 1 61 61 HIS CB C 13 34.418 . . 1 . . . . . 61 HIS CB . 27043 1 60 . 1 1 61 61 HIS N N 15 127.82 . . 1 . . . . . 61 HIS N . 27043 1 61 . 1 1 62 62 THR H H 1 8.481 . . 1 . . . . . 62 THR H . 27043 1 62 . 1 1 62 62 THR CA C 13 61.591 . . 1 . . . . . 62 THR CA . 27043 1 63 . 1 1 62 62 THR CB C 13 70.86 . . 1 . . . . . 62 THR CB . 27043 1 64 . 1 1 62 62 THR N N 15 118.582 . . 1 . . . . . 62 THR N . 27043 1 65 . 1 1 63 63 SER H H 1 8.404 . . 1 . . . . . 63 SER H . 27043 1 66 . 1 1 63 63 SER CA C 13 55.753 . . 1 . . . . . 63 SER CA . 27043 1 67 . 1 1 63 63 SER CB C 13 66.578 . . 1 . . . . . 63 SER CB . 27043 1 68 . 1 1 63 63 SER N N 15 118.985 . . 1 . . . . . 63 SER N . 27043 1 69 . 1 1 64 64 TYR H H 1 9.075 . . 1 . . . . . 64 TYR H . 27043 1 70 . 1 1 64 64 TYR CA C 13 57.004 . . 1 . . . . . 64 TYR CA . 27043 1 71 . 1 1 64 64 TYR CB C 13 41.672 . . 1 . . . . . 64 TYR CB . 27043 1 72 . 1 1 64 64 TYR N N 15 119.036 . . 1 . . . . . 64 TYR N . 27043 1 73 . 1 1 65 65 LEU H H 1 7.761 . . 1 . . . . . 65 LEU H . 27043 1 74 . 1 1 65 65 LEU CA C 13 52.818 . . 1 . . . . . 65 LEU CA . 27043 1 75 . 1 1 65 65 LEU CB C 13 42.302 . . 1 . . . . . 65 LEU CB . 27043 1 76 . 1 1 65 65 LEU N N 15 124.395 . . 1 . . . . . 65 LEU N . 27043 1 77 . 1 1 66 66 ASP H H 1 8.098 . . 1 . . . . . 66 ASP H . 27043 1 78 . 1 1 66 66 ASP CA C 13 53.859 . . 1 . . . . . 66 ASP CA . 27043 1 79 . 1 1 66 66 ASP CB C 13 40.221 . . 1 . . . . . 66 ASP CB . 27043 1 80 . 1 1 66 66 ASP N N 15 126.85 . . 1 . . . . . 66 ASP N . 27043 1 81 . 1 1 67 67 MET H H 1 8.276 . . 1 . . . . . 67 MET H . 27043 1 82 . 1 1 67 67 MET CA C 13 51.82 . . 1 . . . . . 67 MET CA . 27043 1 83 . 1 1 67 67 MET CB C 13 33.172 . . 1 . . . . . 67 MET CB . 27043 1 84 . 1 1 67 67 MET N N 15 126.089 . . 1 . . . . . 67 MET N . 27043 1 85 . 1 1 69 69 GLY CA C 13 44.731 . . 1 . . . . . 69 GLY CA . 27043 1 86 . 1 1 70 70 PHE H H 1 8.055 . . 1 . . . . . 70 PHE H . 27043 1 87 . 1 1 70 70 PHE CA C 13 58.258 . . 1 . . . . . 70 PHE CA . 27043 1 88 . 1 1 70 70 PHE CB C 13 40.939 . . 1 . . . . . 70 PHE CB . 27043 1 89 . 1 1 70 70 PHE N N 15 118.873 . . 1 . . . . . 70 PHE N . 27043 1 90 . 1 1 71 71 GLY H H 1 8.102 . . 1 . . . . . 71 GLY H . 27043 1 91 . 1 1 71 71 GLY CA C 13 43.948 . . 1 . . . . . 71 GLY CA . 27043 1 92 . 1 1 71 71 GLY N N 15 109.53 . . 1 . . . . . 71 GLY N . 27043 1 93 . 1 1 72 72 ALA H H 1 8.068 . . 1 . . . . . 72 ALA H . 27043 1 94 . 1 1 72 72 ALA CA C 13 51.827 . . 1 . . . . . 72 ALA CA . 27043 1 95 . 1 1 72 72 ALA CB C 13 17.885 . . 1 . . . . . 72 ALA CB . 27043 1 96 . 1 1 72 72 ALA N N 15 124.355 . . 1 . . . . . 72 ALA N . 27043 1 97 . 1 1 73 73 VAL H H 1 8.626 . . 1 . . . . . 73 VAL H . 27043 1 98 . 1 1 73 73 VAL CA C 13 61.884 . . 1 . . . . . 73 VAL CA . 27043 1 99 . 1 1 73 73 VAL CB C 13 32.26 . . 1 . . . . . 73 VAL CB . 27043 1 100 . 1 1 73 73 VAL N N 15 126.875 . . 1 . . . . . 73 VAL N . 27043 1 101 . 1 1 74 74 ALA H H 1 8.477 . . 1 . . . . . 74 ALA H . 27043 1 102 . 1 1 74 74 ALA CA C 13 50.921 . . 1 . . . . . 74 ALA CA . 27043 1 103 . 1 1 74 74 ALA CB C 13 19.927 . . 1 . . . . . 74 ALA CB . 27043 1 104 . 1 1 74 74 ALA N N 15 129.778 . . 1 . . . . . 74 ALA N . 27043 1 105 . 1 1 75 75 SER H H 1 8.899 . . 1 . . . . . 75 SER H . 27043 1 106 . 1 1 75 75 SER CA C 13 57.144 . . 1 . . . . . 75 SER CA . 27043 1 107 . 1 1 75 75 SER CB C 13 61.971 . . 1 . . . . . 75 SER CB . 27043 1 108 . 1 1 75 75 SER N N 15 115.131 . . 1 . . . . . 75 SER N . 27043 1 109 . 1 1 76 76 ASN H H 1 9.007 . . 1 . . . . . 76 ASN H . 27043 1 110 . 1 1 76 76 ASN CA C 13 50.616 . . 1 . . . . . 76 ASN CA . 27043 1 111 . 1 1 76 76 ASN CB C 13 39.53 . . 1 . . . . . 76 ASN CB . 27043 1 112 . 1 1 76 76 ASN N N 15 129.901 . . 1 . . . . . 76 ASN N . 27043 1 113 . 1 1 77 77 GLY H H 1 7.798 . . 1 . . . . . 77 GLY H . 27043 1 114 . 1 1 77 77 GLY CA C 13 42.463 . . 1 . . . . . 77 GLY CA . 27043 1 115 . 1 1 77 77 GLY N N 15 108.665 . . 1 . . . . . 77 GLY N . 27043 1 116 . 1 1 78 78 LEU H H 1 8.725 . . 1 . . . . . 78 LEU H . 27043 1 117 . 1 1 78 78 LEU CA C 13 52.621 . . 1 . . . . . 78 LEU CA . 27043 1 118 . 1 1 78 78 LEU CB C 13 47.231 . . 1 . . . . . 78 LEU CB . 27043 1 119 . 1 1 78 78 LEU N N 15 116.832 . . 1 . . . . . 78 LEU N . 27043 1 120 . 1 1 79 79 ILE H H 1 9.35 . . 1 . . . . . 79 ILE H . 27043 1 121 . 1 1 79 79 ILE CA C 13 60.406 . . 1 . . . . . 79 ILE CA . 27043 1 122 . 1 1 79 79 ILE CB C 13 40.28 . . 1 . . . . . 79 ILE CB . 27043 1 123 . 1 1 79 79 ILE N N 15 121.559 . . 1 . . . . . 79 ILE N . 27043 1 124 . 1 1 80 80 VAL H H 1 9.439 . . 1 . . . . . 80 VAL H . 27043 1 125 . 1 1 80 80 VAL CA C 13 59.765 . . 1 . . . . . 80 VAL CA . 27043 1 126 . 1 1 80 80 VAL CB C 13 34.775 . . 1 . . . . . 80 VAL CB . 27043 1 127 . 1 1 80 80 VAL N N 15 126.784 . . 1 . . . . . 80 VAL N . 27043 1 128 . 1 1 81 81 ARG H H 1 9.461 . . 1 . . . . . 81 ARG H . 27043 1 129 . 1 1 81 81 ARG CA C 13 55.341 . . 1 . . . . . 81 ARG CA . 27043 1 130 . 1 1 81 81 ARG CB C 13 31.325 . . 1 . . . . . 81 ARG CB . 27043 1 131 . 1 1 81 81 ARG N N 15 129.072 . . 1 . . . . . 81 ARG N . 27043 1 132 . 1 1 82 82 ASP H H 1 8.941 . . 1 . . . . . 82 ASP H . 27043 1 133 . 1 1 82 82 ASP CA C 13 51.616 . . 1 . . . . . 82 ASP CA . 27043 1 134 . 1 1 82 82 ASP CB C 13 43.025 . . 1 . . . . . 82 ASP CB . 27043 1 135 . 1 1 82 82 ASP N N 15 130.047 . . 1 . . . . . 82 ASP N . 27043 1 136 . 1 1 83 83 GLY H H 1 8.732 . . 1 . . . . . 83 GLY H . 27043 1 137 . 1 1 83 83 GLY CA C 13 47.083 . . 1 . . . . . 83 GLY CA . 27043 1 138 . 1 1 83 83 GLY N N 15 113.864 . . 1 . . . . . 83 GLY N . 27043 1 139 . 1 1 84 84 GLY H H 1 8.49 . . 1 . . . . . 84 GLY H . 27043 1 140 . 1 1 84 84 GLY CA C 13 45.432 . . 1 . . . . . 84 GLY CA . 27043 1 141 . 1 1 84 84 GLY N N 15 116.259 . . 1 . . . . . 84 GLY N . 27043 1 142 . 1 1 85 85 ARG H H 1 7.566 . . 1 . . . . . 85 ARG H . 27043 1 143 . 1 1 85 85 ARG CA C 13 53.417 . . 1 . . . . . 85 ARG CA . 27043 1 144 . 1 1 85 85 ARG CB C 13 32.077 . . 1 . . . . . 85 ARG CB . 27043 1 145 . 1 1 85 85 ARG N N 15 117.611 . . 1 . . . . . 85 ARG N . 27043 1 146 . 1 1 86 86 VAL H H 1 8.745 . . 1 . . . . . 86 VAL H . 27043 1 147 . 1 1 86 86 VAL CA C 13 59.771 . . 1 . . . . . 86 VAL CA . 27043 1 148 . 1 1 86 86 VAL CB C 13 33.147 . . 1 . . . . . 86 VAL CB . 27043 1 149 . 1 1 86 86 VAL N N 15 119.281 . . 1 . . . . . 86 VAL N . 27043 1 150 . 1 1 87 87 LEU H H 1 9.447 . . 1 . . . . . 87 LEU H . 27043 1 151 . 1 1 87 87 LEU CA C 13 52.391 . . 1 . . . . . 87 LEU CA . 27043 1 152 . 1 1 87 87 LEU CB C 13 42.322 . . 1 . . . . . 87 LEU CB . 27043 1 153 . 1 1 87 87 LEU N N 15 126.263 . . 1 . . . . . 87 LEU N . 27043 1 154 . 1 1 88 88 VAL H H 1 8.063 . . 1 . . . . . 88 VAL H . 27043 1 155 . 1 1 88 88 VAL CA C 13 60.824 . . 1 . . . . . 88 VAL CA . 27043 1 156 . 1 1 88 88 VAL CB C 13 34.232 . . 1 . . . . . 88 VAL CB . 27043 1 157 . 1 1 88 88 VAL N N 15 122.821 . . 1 . . . . . 88 VAL N . 27043 1 158 . 1 1 89 89 VAL H H 1 9.057 . . 1 . . . . . 89 VAL H . 27043 1 159 . 1 1 89 89 VAL CA C 13 60.697 . . 1 . . . . . 89 VAL CA . 27043 1 160 . 1 1 89 89 VAL CB C 13 31.396 . . 1 . . . . . 89 VAL CB . 27043 1 161 . 1 1 89 89 VAL N N 15 127.136 . . 1 . . . . . 89 VAL N . 27043 1 162 . 1 1 90 90 ASP H H 1 8.909 . . 1 . . . . . 90 ASP H . 27043 1 163 . 1 1 90 90 ASP CA C 13 57.999 . . 1 . . . . . 90 ASP CA . 27043 1 164 . 1 1 90 90 ASP CB C 13 39.479 . . 1 . . . . . 90 ASP CB . 27043 1 165 . 1 1 90 90 ASP N N 15 119.301 . . 1 . . . . . 90 ASP N . 27043 1 166 . 1 1 91 91 THR H H 1 7.456 . . 1 . . . . . 91 THR H . 27043 1 167 . 1 1 91 91 THR CA C 13 59.905 . . 1 . . . . . 91 THR CA . 27043 1 168 . 1 1 91 91 THR CB C 13 67.383 . . 1 . . . . . 91 THR CB . 27043 1 169 . 1 1 91 91 THR N N 15 106.4 . . 1 . . . . . 91 THR N . 27043 1 170 . 1 1 92 92 ALA H H 1 6.491 . . 1 . . . . . 92 ALA H . 27043 1 171 . 1 1 92 92 ALA CA C 13 49.988 . . 1 . . . . . 92 ALA CA . 27043 1 172 . 1 1 92 92 ALA CB C 13 21.183 . . 1 . . . . . 92 ALA CB . 27043 1 173 . 1 1 92 92 ALA N N 15 113.886 . . 1 . . . . . 92 ALA N . 27043 1 174 . 1 1 93 93 TRP H H 1 6.939 . . 1 . . . . . 93 TRP H . 27043 1 175 . 1 1 93 93 TRP CA C 13 59.26 . . 1 . . . . . 93 TRP CA . 27043 1 176 . 1 1 93 93 TRP CB C 13 28.8 . . 1 . . . . . 93 TRP CB . 27043 1 177 . 1 1 93 93 TRP N N 15 114.25 . . 1 . . . . . 93 TRP N . 27043 1 178 . 1 1 94 94 THR H H 1 6.945 . . 1 . . . . . 94 THR H . 27043 1 179 . 1 1 94 94 THR CA C 13 57.422 . . 1 . . . . . 94 THR CA . 27043 1 180 . 1 1 94 94 THR CB C 13 73.187 . . 1 . . . . . 94 THR CB . 27043 1 181 . 1 1 94 94 THR N N 15 99.036 . . 1 . . . . . 94 THR N . 27043 1 182 . 1 1 95 95 ASP CA C 13 58.066 . . 1 . . . . . 95 ASP CA . 27043 1 183 . 1 1 95 95 ASP CB C 13 40.241 . . 1 . . . . . 95 ASP CB . 27043 1 184 . 1 1 96 96 ASP H H 1 8.612 . . 1 . . . . . 96 ASP H . 27043 1 185 . 1 1 96 96 ASP CA C 13 57.299 . . 1 . . . . . 96 ASP CA . 27043 1 186 . 1 1 96 96 ASP CB C 13 40.415 . . 1 . . . . . 96 ASP CB . 27043 1 187 . 1 1 96 96 ASP N N 15 120.429 . . 1 . . . . . 96 ASP N . 27043 1 188 . 1 1 97 97 GLN H H 1 7.731 . . 1 . . . . . 97 GLN H . 27043 1 189 . 1 1 97 97 GLN CA C 13 57.848 . . 1 . . . . . 97 GLN CA . 27043 1 190 . 1 1 97 97 GLN CB C 13 29.714 . . 1 . . . . . 97 GLN CB . 27043 1 191 . 1 1 97 97 GLN N N 15 117.251 . . 1 . . . . . 97 GLN N . 27043 1 192 . 1 1 98 98 THR H H 1 7.898 . . 1 . . . . . 98 THR H . 27043 1 193 . 1 1 98 98 THR CA C 13 66.728 . . 1 . . . . . 98 THR CA . 27043 1 194 . 1 1 98 98 THR CB C 13 67.487 . . 1 . . . . . 98 THR CB . 27043 1 195 . 1 1 98 98 THR N N 15 117.578 . . 1 . . . . . 98 THR N . 27043 1 196 . 1 1 99 99 ALA H H 1 8.694 . . 1 . . . . . 99 ALA H . 27043 1 197 . 1 1 99 99 ALA CA C 13 54.881 . . 1 . . . . . 99 ALA CA . 27043 1 198 . 1 1 99 99 ALA CB C 13 16.393 . . 1 . . . . . 99 ALA CB . 27043 1 199 . 1 1 99 99 ALA N N 15 125.429 . . 1 . . . . . 99 ALA N . 27043 1 200 . 1 1 100 100 GLN H H 1 7.457 . . 1 . . . . . 100 GLN H . 27043 1 201 . 1 1 100 100 GLN CA C 13 59.221 . . 1 . . . . . 100 GLN CA . 27043 1 202 . 1 1 100 100 GLN CB C 13 27.8 . . 1 . . . . . 100 GLN CB . 27043 1 203 . 1 1 100 100 GLN N N 15 117.458 . . 1 . . . . . 100 GLN N . 27043 1 204 . 1 1 101 101 ILE H H 1 7.624 . . 1 . . . . . 101 ILE H . 27043 1 205 . 1 1 101 101 ILE CA C 13 66.137 . . 1 . . . . . 101 ILE CA . 27043 1 206 . 1 1 101 101 ILE CB C 13 36.444 . . 1 . . . . . 101 ILE CB . 27043 1 207 . 1 1 101 101 ILE N N 15 121.078 . . 1 . . . . . 101 ILE N . 27043 1 208 . 1 1 102 102 LEU H H 1 7.42 . . 1 . . . . . 102 LEU H . 27043 1 209 . 1 1 102 102 LEU CA C 13 57.249 . . 1 . . . . . 102 LEU CA . 27043 1 210 . 1 1 102 102 LEU CB C 13 38.097 . . 1 . . . . . 102 LEU CB . 27043 1 211 . 1 1 102 102 LEU N N 15 116.465 . . 1 . . . . . 102 LEU N . 27043 1 212 . 1 1 112 112 PRO CA C 13 61.671 . . 1 . . . . . 112 PRO CA . 27043 1 213 . 1 1 112 112 PRO CB C 13 31.202 . . 1 . . . . . 112 PRO CB . 27043 1 214 . 1 1 113 113 VAL H H 1 8.388 . . 1 . . . . . 113 VAL H . 27043 1 215 . 1 1 113 113 VAL CA C 13 60.576 . . 1 . . . . . 113 VAL CA . 27043 1 216 . 1 1 113 113 VAL CB C 13 29.531 . . 1 . . . . . 113 VAL CB . 27043 1 217 . 1 1 113 113 VAL N N 15 122.105 . . 1 . . . . . 113 VAL N . 27043 1 218 . 1 1 114 114 ALA H H 1 9.006 . . 1 . . . . . 114 ALA H . 27043 1 219 . 1 1 114 114 ALA CA C 13 53.345 . . 1 . . . . . 114 ALA CA . 27043 1 220 . 1 1 114 114 ALA CB C 13 20.748 . . 1 . . . . . 114 ALA CB . 27043 1 221 . 1 1 114 114 ALA N N 15 129.762 . . 1 . . . . . 114 ALA N . 27043 1 222 . 1 1 115 115 LEU H H 1 7.218 . . 1 . . . . . 115 LEU H . 27043 1 223 . 1 1 115 115 LEU CA C 13 53.728 . . 1 . . . . . 115 LEU CA . 27043 1 224 . 1 1 115 115 LEU CB C 13 42.26 . . 1 . . . . . 115 LEU CB . 27043 1 225 . 1 1 115 115 LEU N N 15 111.029 . . 1 . . . . . 115 LEU N . 27043 1 226 . 1 1 116 116 ALA H H 1 8.688 . . 1 . . . . . 116 ALA H . 27043 1 227 . 1 1 116 116 ALA CA C 13 48.982 . . 1 . . . . . 116 ALA CA . 27043 1 228 . 1 1 116 116 ALA CB C 13 22.936 . . 1 . . . . . 116 ALA CB . 27043 1 229 . 1 1 116 116 ALA N N 15 120.614 . . 1 . . . . . 116 ALA N . 27043 1 230 . 1 1 117 117 VAL H H 1 8.762 . . 1 . . . . . 117 VAL H . 27043 1 231 . 1 1 117 117 VAL CA C 13 58.506 . . 1 . . . . . 117 VAL CA . 27043 1 232 . 1 1 117 117 VAL CB C 13 33.854 . . 1 . . . . . 117 VAL CB . 27043 1 233 . 1 1 117 117 VAL N N 15 122.093 . . 1 . . . . . 117 VAL N . 27043 1 234 . 1 1 118 118 VAL H H 1 8.201 . . 1 . . . . . 118 VAL H . 27043 1 235 . 1 1 118 118 VAL CA C 13 58.091 . . 1 . . . . . 118 VAL CA . 27043 1 236 . 1 1 118 118 VAL CB C 13 32.581 . . 1 . . . . . 118 VAL CB . 27043 1 237 . 1 1 118 118 VAL N N 15 119.436 . . 1 . . . . . 118 VAL N . 27043 1 238 . 1 1 119 119 THR H H 1 10.524 . . 1 . . . . . 119 THR H . 27043 1 239 . 1 1 119 119 THR CA C 13 65.155 . . 1 . . . . . 119 THR CA . 27043 1 240 . 1 1 119 119 THR CB C 13 69.68 . . 1 . . . . . 119 THR CB . 27043 1 241 . 1 1 119 119 THR N N 15 112.377 . . 1 . . . . . 119 THR N . 27043 1 242 . 1 1 120 120 HIS H H 1 6.731 . . 1 . . . . . 120 HIS H . 27043 1 243 . 1 1 120 120 HIS CA C 13 57.852 . . 1 . . . . . 120 HIS CA . 27043 1 244 . 1 1 120 120 HIS CB C 13 29.043 . . 1 . . . . . 120 HIS CB . 27043 1 245 . 1 1 120 120 HIS N N 15 107.773 . . 1 . . . . . 120 HIS N . 27043 1 246 . 1 1 121 121 ALA H H 1 8.584 . . 1 . . . . . 121 ALA H . 27043 1 247 . 1 1 121 121 ALA CA C 13 51.163 . . 1 . . . . . 121 ALA CA . 27043 1 248 . 1 1 121 121 ALA CB C 13 16.181 . . 1 . . . . . 121 ALA CB . 27043 1 249 . 1 1 121 121 ALA N N 15 121.917 . . 1 . . . . . 121 ALA N . 27043 1 250 . 1 1 122 122 HIS H H 1 7.109 . . 1 . . . . . 122 HIS H . 27043 1 251 . 1 1 122 122 HIS CA C 13 51.902 . . 1 . . . . . 122 HIS CA . 27043 1 252 . 1 1 122 122 HIS CB C 13 36.842 . . 1 . . . . . 122 HIS CB . 27043 1 253 . 1 1 122 122 HIS N N 15 118.236 . . 1 . . . . . 122 HIS N . 27043 1 254 . 1 1 123 123 GLN H H 1 9.43 . . 1 . . . . . 123 GLN H . 27043 1 255 . 1 1 123 123 GLN CA C 13 59.023 . . 1 . . . . . 123 GLN CA . 27043 1 256 . 1 1 123 123 GLN CB C 13 27.999 . . 1 . . . . . 123 GLN CB . 27043 1 257 . 1 1 123 123 GLN N N 15 123.729 . . 1 . . . . . 123 GLN N . 27043 1 258 . 1 1 124 124 ASP H H 1 8.911 . . 1 . . . . . 124 ASP H . 27043 1 259 . 1 1 124 124 ASP CA C 13 54.686 . . 1 . . . . . 124 ASP CA . 27043 1 260 . 1 1 124 124 ASP CB C 13 32.395 . . 1 . . . . . 124 ASP CB . 27043 1 261 . 1 1 124 124 ASP N N 15 108.489 . . 1 . . . . . 124 ASP N . 27043 1 262 . 1 1 126 126 MET CA C 13 54.772 . . 1 . . . . . 126 MET CA . 27043 1 263 . 1 1 126 126 MET CB C 13 35.236 . . 1 . . . . . 126 MET CB . 27043 1 264 . 1 1 127 127 GLY H H 1 7.72 . . 1 . . . . . 127 GLY H . 27043 1 265 . 1 1 127 127 GLY CA C 13 46.832 . . 1 . . . . . 127 GLY CA . 27043 1 266 . 1 1 127 127 GLY N N 15 112.357 . . 1 . . . . . 127 GLY N . 27043 1 267 . 1 1 128 128 GLY H H 1 7.927 . . 1 . . . . . 128 GLY H . 27043 1 268 . 1 1 128 128 GLY CA C 13 44.042 . . 1 . . . . . 128 GLY CA . 27043 1 269 . 1 1 128 128 GLY N N 15 105.25 . . 1 . . . . . 128 GLY N . 27043 1 270 . 1 1 129 129 MET H H 1 6.487 . . 1 . . . . . 129 MET H . 27043 1 271 . 1 1 129 129 MET CA C 13 56.359 . . 1 . . . . . 129 MET CA . 27043 1 272 . 1 1 129 129 MET CB C 13 30.185 . . 1 . . . . . 129 MET CB . 27043 1 273 . 1 1 129 129 MET N N 15 116.364 . . 1 . . . . . 129 MET N . 27043 1 274 . 1 1 130 130 ASP H H 1 8.805 . . 1 . . . . . 130 ASP H . 27043 1 275 . 1 1 130 130 ASP CA C 13 57.504 . . 1 . . . . . 130 ASP CA . 27043 1 276 . 1 1 130 130 ASP CB C 13 39.904 . . 1 . . . . . 130 ASP CB . 27043 1 277 . 1 1 130 130 ASP N N 15 117.718 . . 1 . . . . . 130 ASP N . 27043 1 278 . 1 1 131 131 ALA H H 1 7.557 . . 1 . . . . . 131 ALA H . 27043 1 279 . 1 1 131 131 ALA CA C 13 54.355 . . 1 . . . . . 131 ALA CA . 27043 1 280 . 1 1 131 131 ALA CB C 13 17.791 . . 1 . . . . . 131 ALA CB . 27043 1 281 . 1 1 131 131 ALA N N 15 121.83 . . 1 . . . . . 131 ALA N . 27043 1 282 . 1 1 132 132 LEU H H 1 7.013 . . 1 . . . . . 132 LEU H . 27043 1 283 . 1 1 132 132 LEU CA C 13 56.927 . . 1 . . . . . 132 LEU CA . 27043 1 284 . 1 1 132 132 LEU CB C 13 39.066 . . 1 . . . . . 132 LEU CB . 27043 1 285 . 1 1 132 132 LEU N N 15 115.515 . . 1 . . . . . 132 LEU N . 27043 1 286 . 1 1 133 133 HIS H H 1 8.211 . . 1 . . . . . 133 HIS H . 27043 1 287 . 1 1 133 133 HIS CA C 13 56.562 . . 1 . . . . . 133 HIS CA . 27043 1 288 . 1 1 133 133 HIS CB C 13 27.406 . . 1 . . . . . 133 HIS CB . 27043 1 289 . 1 1 133 133 HIS N N 15 120.615 . . 1 . . . . . 133 HIS N . 27043 1 290 . 1 1 134 134 ALA H H 1 8.751 . . 1 . . . . . 134 ALA H . 27043 1 291 . 1 1 134 134 ALA CA C 13 54.114 . . 1 . . . . . 134 ALA CA . 27043 1 292 . 1 1 134 134 ALA CB C 13 16.839 . . 1 . . . . . 134 ALA CB . 27043 1 293 . 1 1 134 134 ALA N N 15 124.988 . . 1 . . . . . 134 ALA N . 27043 1 294 . 1 1 135 135 ALA H H 1 6.92 . . 1 . . . . . 135 ALA H . 27043 1 295 . 1 1 135 135 ALA CA C 13 51.08 . . 1 . . . . . 135 ALA CA . 27043 1 296 . 1 1 135 135 ALA CB C 13 18.516 . . 1 . . . . . 135 ALA CB . 27043 1 297 . 1 1 135 135 ALA N N 15 118.528 . . 1 . . . . . 135 ALA N . 27043 1 298 . 1 1 136 136 GLY H H 1 7.864 . . 1 . . . . . 136 GLY H . 27043 1 299 . 1 1 136 136 GLY CA C 13 45.465 . . 1 . . . . . 136 GLY CA . 27043 1 300 . 1 1 136 136 GLY N N 15 108.393 . . 1 . . . . . 136 GLY N . 27043 1 301 . 1 1 137 137 ILE H H 1 7.501 . . 1 . . . . . 137 ILE H . 27043 1 302 . 1 1 137 137 ILE CA C 13 60.828 . . 1 . . . . . 137 ILE CA . 27043 1 303 . 1 1 137 137 ILE CB C 13 37.828 . . 1 . . . . . 137 ILE CB . 27043 1 304 . 1 1 137 137 ILE N N 15 122.688 . . 1 . . . . . 137 ILE N . 27043 1 305 . 1 1 138 138 ALA H H 1 7.659 . . 1 . . . . . 138 ALA H . 27043 1 306 . 1 1 138 138 ALA CA C 13 51.847 . . 1 . . . . . 138 ALA CA . 27043 1 307 . 1 1 138 138 ALA CB C 13 19.019 . . 1 . . . . . 138 ALA CB . 27043 1 308 . 1 1 138 138 ALA N N 15 130.745 . . 1 . . . . . 138 ALA N . 27043 1 309 . 1 1 139 139 THR H H 1 7.182 . . 1 . . . . . 139 THR H . 27043 1 310 . 1 1 139 139 THR CA C 13 58.878 . . 1 . . . . . 139 THR CA . 27043 1 311 . 1 1 139 139 THR CB C 13 71.062 . . 1 . . . . . 139 THR CB . 27043 1 312 . 1 1 139 139 THR N N 15 109.893 . . 1 . . . . . 139 THR N . 27043 1 313 . 1 1 140 140 TYR H H 1 8.813 . . 1 . . . . . 140 TYR H . 27043 1 314 . 1 1 140 140 TYR CA C 13 56.675 . . 1 . . . . . 140 TYR CA . 27043 1 315 . 1 1 140 140 TYR CB C 13 42.243 . . 1 . . . . . 140 TYR CB . 27043 1 316 . 1 1 140 140 TYR N N 15 119.931 . . 1 . . . . . 140 TYR N . 27043 1 317 . 1 1 141 141 ALA H H 1 8.074 . . 1 . . . . . 141 ALA H . 27043 1 318 . 1 1 141 141 ALA CA C 13 50.047 . . 1 . . . . . 141 ALA CA . 27043 1 319 . 1 1 141 141 ALA CB C 13 22.907 . . 1 . . . . . 141 ALA CB . 27043 1 320 . 1 1 141 141 ALA N N 15 119.462 . . 1 . . . . . 141 ALA N . 27043 1 321 . 1 1 142 142 ASN H H 1 10.171 . . 1 . . . . . 142 ASN H . 27043 1 322 . 1 1 142 142 ASN CA C 13 53.755 . . 1 . . . . . 142 ASN CA . 27043 1 323 . 1 1 142 142 ASN CB C 13 36.514 . . 1 . . . . . 142 ASN CB . 27043 1 324 . 1 1 142 142 ASN N N 15 120.388 . . 1 . . . . . 142 ASN N . 27043 1 325 . 1 1 143 143 ALA H H 1 9.231 . . 1 . . . . . 143 ALA H . 27043 1 326 . 1 1 143 143 ALA CA C 13 55.385 . . 1 . . . . . 143 ALA CA . 27043 1 327 . 1 1 143 143 ALA CB C 13 17.659 . . 1 . . . . . 143 ALA CB . 27043 1 328 . 1 1 143 143 ALA N N 15 134.237 . . 1 . . . . . 143 ALA N . 27043 1 329 . 1 1 144 144 LEU H H 1 7.297 . . 1 . . . . . 144 LEU H . 27043 1 330 . 1 1 144 144 LEU CA C 13 56.7 . . 1 . . . . . 144 LEU CA . 27043 1 331 . 1 1 144 144 LEU CB C 13 40.948 . . 1 . . . . . 144 LEU CB . 27043 1 332 . 1 1 144 144 LEU N N 15 115.066 . . 1 . . . . . 144 LEU N . 27043 1 333 . 1 1 145 145 SER H H 1 7.304 . . 1 . . . . . 145 SER H . 27043 1 334 . 1 1 145 145 SER CA C 13 60.408 . . 1 . . . . . 145 SER CA . 27043 1 335 . 1 1 145 145 SER CB C 13 61.407 . . 1 . . . . . 145 SER CB . 27043 1 336 . 1 1 145 145 SER N N 15 114.782 . . 1 . . . . . 145 SER N . 27043 1 337 . 1 1 146 146 ASN H H 1 7.216 . . 1 . . . . . 146 ASN H . 27043 1 338 . 1 1 146 146 ASN CA C 13 54.649 . . 1 . . . . . 146 ASN CA . 27043 1 339 . 1 1 146 146 ASN CB C 13 36.546 . . 1 . . . . . 146 ASN CB . 27043 1 340 . 1 1 146 146 ASN N N 15 117.794 . . 1 . . . . . 146 ASN N . 27043 1 341 . 1 1 147 147 GLN H H 1 7.344 . . 1 . . . . . 147 GLN H . 27043 1 342 . 1 1 147 147 GLN CA C 13 57.348 . . 1 . . . . . 147 GLN CA . 27043 1 343 . 1 1 147 147 GLN CB C 13 27.826 . . 1 . . . . . 147 GLN CB . 27043 1 344 . 1 1 147 147 GLN N N 15 119.625 . . 1 . . . . . 147 GLN N . 27043 1 345 . 1 1 148 148 LEU H H 1 7.711 . . 1 . . . . . 148 LEU H . 27043 1 346 . 1 1 148 148 LEU CA C 13 56.362 . . 1 . . . . . 148 LEU CA . 27043 1 347 . 1 1 148 148 LEU CB C 13 41.918 . . 1 . . . . . 148 LEU CB . 27043 1 348 . 1 1 148 148 LEU N N 15 119.249 . . 1 . . . . . 148 LEU N . 27043 1 349 . 1 1 149 149 ALA H H 1 7.975 . . 1 . . . . . 149 ALA H . 27043 1 350 . 1 1 149 149 ALA CA C 13 57.075 . . 1 . . . . . 149 ALA CA . 27043 1 351 . 1 1 149 149 ALA CB C 13 13.655 . . 1 . . . . . 149 ALA CB . 27043 1 352 . 1 1 149 149 ALA N N 15 119.981 . . 1 . . . . . 149 ALA N . 27043 1 353 . 1 1 150 150 PRO CA C 13 65.162 . . 1 . . . . . 150 PRO CA . 27043 1 354 . 1 1 150 150 PRO CB C 13 29.683 . . 1 . . . . . 150 PRO CB . 27043 1 355 . 1 1 151 151 GLN H H 1 7.333 . . 1 . . . . . 151 GLN H . 27043 1 356 . 1 1 151 151 GLN CA C 13 57.5 . . 1 . . . . . 151 GLN CA . 27043 1 357 . 1 1 151 151 GLN CB C 13 27.381 . . 1 . . . . . 151 GLN CB . 27043 1 358 . 1 1 151 151 GLN N N 15 117.241 . . 1 . . . . . 151 GLN N . 27043 1 359 . 1 1 152 152 GLU H H 1 7.452 . . 1 . . . . . 152 GLU H . 27043 1 360 . 1 1 152 152 GLU CA C 13 54.253 . . 1 . . . . . 152 GLU CA . 27043 1 361 . 1 1 152 152 GLU CB C 13 29.326 . . 1 . . . . . 152 GLU CB . 27043 1 362 . 1 1 152 152 GLU N N 15 117.483 . . 1 . . . . . 152 GLU N . 27043 1 363 . 1 1 153 153 GLY H H 1 7.544 . . 1 . . . . . 153 GLY H . 27043 1 364 . 1 1 153 153 GLY CA C 13 45.435 . . 1 . . . . . 153 GLY CA . 27043 1 365 . 1 1 153 153 GLY N N 15 107.051 . . 1 . . . . . 153 GLY N . 27043 1 366 . 1 1 154 154 MET H H 1 7.81 . . 1 . . . . . 154 MET H . 27043 1 367 . 1 1 154 154 MET CA C 13 52.956 . . 1 . . . . . 154 MET CA . 27043 1 368 . 1 1 154 154 MET CB C 13 35.518 . . 1 . . . . . 154 MET CB . 27043 1 369 . 1 1 154 154 MET N N 15 119.441 . . 1 . . . . . 154 MET N . 27043 1 370 . 1 1 155 155 VAL H H 1 8.229 . . 1 . . . . . 155 VAL H . 27043 1 371 . 1 1 155 155 VAL CA C 13 61.52 . . 1 . . . . . 155 VAL CA . 27043 1 372 . 1 1 155 155 VAL CB C 13 32.174 . . 1 . . . . . 155 VAL CB . 27043 1 373 . 1 1 155 155 VAL N N 15 124.07 . . 1 . . . . . 155 VAL N . 27043 1 374 . 1 1 156 156 ALA H H 1 7.68 . . 1 . . . . . 156 ALA H . 27043 1 375 . 1 1 156 156 ALA CA C 13 51.538 . . 1 . . . . . 156 ALA CA . 27043 1 376 . 1 1 156 156 ALA CB C 13 18.418 . . 1 . . . . . 156 ALA CB . 27043 1 377 . 1 1 156 156 ALA N N 15 123.727 . . 1 . . . . . 156 ALA N . 27043 1 378 . 1 1 157 157 ALA H H 1 7.53 . . 1 . . . . . 157 ALA H . 27043 1 379 . 1 1 157 157 ALA CA C 13 50.889 . . 1 . . . . . 157 ALA CA . 27043 1 380 . 1 1 157 157 ALA CB C 13 18.583 . . 1 . . . . . 157 ALA CB . 27043 1 381 . 1 1 157 157 ALA N N 15 119.407 . . 1 . . . . . 157 ALA N . 27043 1 382 . 1 1 158 158 GLN H H 1 8.495 . . 1 . . . . . 158 GLN H . 27043 1 383 . 1 1 158 158 GLN CA C 13 56.9 . . 1 . . . . . 158 GLN CA . 27043 1 384 . 1 1 158 158 GLN CB C 13 27.871 . . 1 . . . . . 158 GLN CB . 27043 1 385 . 1 1 158 158 GLN N N 15 119.11 . . 1 . . . . . 158 GLN N . 27043 1 386 . 1 1 159 159 HIS H H 1 7.821 . . 1 . . . . . 159 HIS H . 27043 1 387 . 1 1 159 159 HIS CA C 13 54.07 . . 1 . . . . . 159 HIS CA . 27043 1 388 . 1 1 159 159 HIS CB C 13 32.604 . . 1 . . . . . 159 HIS CB . 27043 1 389 . 1 1 159 159 HIS N N 15 115.338 . . 1 . . . . . 159 HIS N . 27043 1 390 . 1 1 160 160 SER H H 1 9.009 . . 1 . . . . . 160 SER H . 27043 1 391 . 1 1 160 160 SER CA C 13 57.052 . . 1 . . . . . 160 SER CA . 27043 1 392 . 1 1 160 160 SER CB C 13 64.179 . . 1 . . . . . 160 SER CB . 27043 1 393 . 1 1 160 160 SER N N 15 119.172 . . 1 . . . . . 160 SER N . 27043 1 394 . 1 1 161 161 LEU H H 1 9.148 . . 1 . . . . . 161 LEU H . 27043 1 395 . 1 1 161 161 LEU CA C 13 53.035 . . 1 . . . . . 161 LEU CA . 27043 1 396 . 1 1 161 161 LEU CB C 13 42.474 . . 1 . . . . . 161 LEU CB . 27043 1 397 . 1 1 161 161 LEU N N 15 126.41 . . 1 . . . . . 161 LEU N . 27043 1 398 . 1 1 162 162 THR H H 1 7.361 . . 1 . . . . . 162 THR H . 27043 1 399 . 1 1 162 162 THR CA C 13 59.752 . . 1 . . . . . 162 THR CA . 27043 1 400 . 1 1 162 162 THR CB C 13 69.917 . . 1 . . . . . 162 THR CB . 27043 1 401 . 1 1 162 162 THR N N 15 113.031 . . 1 . . . . . 162 THR N . 27043 1 402 . 1 1 163 163 PHE H H 1 8.643 . . 1 . . . . . 163 PHE H . 27043 1 403 . 1 1 163 163 PHE CA C 13 57.506 . . 1 . . . . . 163 PHE CA . 27043 1 404 . 1 1 163 163 PHE CB C 13 41.001 . . 1 . . . . . 163 PHE CB . 27043 1 405 . 1 1 163 163 PHE N N 15 118.573 . . 1 . . . . . 163 PHE N . 27043 1 406 . 1 1 164 164 ALA H H 1 8.622 . . 1 . . . . . 164 ALA H . 27043 1 407 . 1 1 164 164 ALA CA C 13 50.799 . . 1 . . . . . 164 ALA CA . 27043 1 408 . 1 1 164 164 ALA CB C 13 19.106 . . 1 . . . . . 164 ALA CB . 27043 1 409 . 1 1 164 164 ALA N N 15 125.296 . . 1 . . . . . 164 ALA N . 27043 1 410 . 1 1 165 165 ALA CA C 13 51.925 . . 1 . . . . . 165 ALA CA . 27043 1 411 . 1 1 165 165 ALA CB C 13 14.158 . . 1 . . . . . 165 ALA CB . 27043 1 412 . 1 1 166 166 ASN CA C 13 51.935 . . 1 . . . . . 166 ASN CA . 27043 1 413 . 1 1 166 166 ASN CB C 13 36.721 . . 1 . . . . . 166 ASN CB . 27043 1 414 . 1 1 167 167 GLY H H 1 7.939 . . 1 . . . . . 167 GLY H . 27043 1 415 . 1 1 167 167 GLY CA C 13 45.424 . . 1 . . . . . 167 GLY CA . 27043 1 416 . 1 1 167 167 GLY N N 15 107.964 . . 1 . . . . . 167 GLY N . 27043 1 417 . 1 1 168 168 TRP H H 1 7.596 . . 1 . . . . . 168 TRP H . 27043 1 418 . 1 1 168 168 TRP N N 15 122.102 . . 1 . . . . . 168 TRP N . 27043 1 419 . 1 1 168 168 TRP CA C 13 57.58 . . 1 . . . . . 168 TRP CA . 27043 1 420 . 1 1 168 168 TRP CB C 13 28.838 . . 1 . . . . . 168 TRP CB . 27043 1 421 . 1 1 169 169 VAL H H 1 8.097 . . 1 . . . . . 169 VAL H . 27043 1 422 . 1 1 169 169 VAL CA C 13 61.376 . . 1 . . . . . 169 VAL CA . 27043 1 423 . 1 1 169 169 VAL CB C 13 31.136 . . 1 . . . . . 169 VAL CB . 27043 1 424 . 1 1 169 169 VAL N N 15 122.476 . . 1 . . . . . 169 VAL N . 27043 1 425 . 1 1 170 170 GLU H H 1 8.625 . . 1 . . . . . 170 GLU H . 27043 1 426 . 1 1 170 170 GLU CA C 13 53.789 . . 1 . . . . . 170 GLU CA . 27043 1 427 . 1 1 170 170 GLU CB C 13 27.641 . . 1 . . . . . 170 GLU CB . 27043 1 428 . 1 1 170 170 GLU N N 15 128.905 . . 1 . . . . . 170 GLU N . 27043 1 429 . 1 1 171 171 PRO CA C 13 65.091 . . 1 . . . . . 171 PRO CA . 27043 1 430 . 1 1 171 171 PRO CB C 13 31.282 . . 1 . . . . . 171 PRO CB . 27043 1 431 . 1 1 172 172 ALA H H 1 8.645 . . 1 . . . . . 172 ALA H . 27043 1 432 . 1 1 172 172 ALA CA C 13 53.923 . . 1 . . . . . 172 ALA CA . 27043 1 433 . 1 1 172 172 ALA CB C 13 17.544 . . 1 . . . . . 172 ALA CB . 27043 1 434 . 1 1 172 172 ALA N N 15 119.015 . . 1 . . . . . 172 ALA N . 27043 1 435 . 1 1 173 173 THR H H 1 7.817 . . 1 . . . . . 173 THR H . 27043 1 436 . 1 1 173 173 THR CA C 13 60.799 . . 1 . . . . . 173 THR CA . 27043 1 437 . 1 1 173 173 THR CB C 13 69.712 . . 1 . . . . . 173 THR CB . 27043 1 438 . 1 1 173 173 THR N N 15 105.59 . . 1 . . . . . 173 THR N . 27043 1 439 . 1 1 174 174 ALA H H 1 6.711 . . 1 . . . . . 174 ALA H . 27043 1 440 . 1 1 174 174 ALA CA C 13 48.618 . . 1 . . . . . 174 ALA CA . 27043 1 441 . 1 1 174 174 ALA CB C 13 17.859 . . 1 . . . . . 174 ALA CB . 27043 1 442 . 1 1 174 174 ALA N N 15 124.497 . . 1 . . . . . 174 ALA N . 27043 1 443 . 1 1 179 179 PRO CA C 13 62.476 . . 1 . . . . . 179 PRO CA . 27043 1 444 . 1 1 179 179 PRO CB C 13 31.601 . . 1 . . . . . 179 PRO CB . 27043 1 445 . 1 1 180 180 LEU H H 1 7.678 . . 1 . . . . . 180 LEU H . 27043 1 446 . 1 1 180 180 LEU CA C 13 54.961 . . 1 . . . . . 180 LEU CA . 27043 1 447 . 1 1 180 180 LEU CB C 13 39.846 . . 1 . . . . . 180 LEU CB . 27043 1 448 . 1 1 180 180 LEU N N 15 119.745 . . 1 . . . . . 180 LEU N . 27043 1 449 . 1 1 181 181 LYS H H 1 9.008 . . 1 . . . . . 181 LYS H . 27043 1 450 . 1 1 181 181 LYS CA C 13 53.621 . . 1 . . . . . 181 LYS CA . 27043 1 451 . 1 1 181 181 LYS CB C 13 31.808 . . 1 . . . . . 181 LYS CB . 27043 1 452 . 1 1 181 181 LYS N N 15 127.764 . . 1 . . . . . 181 LYS N . 27043 1 453 . 1 1 182 182 VAL H H 1 8.424 . . 1 . . . . . 182 VAL H . 27043 1 454 . 1 1 182 182 VAL CA C 13 62.747 . . 1 . . . . . 182 VAL CA . 27043 1 455 . 1 1 182 182 VAL CB C 13 31.445 . . 1 . . . . . 182 VAL CB . 27043 1 456 . 1 1 182 182 VAL N N 15 124.872 . . 1 . . . . . 182 VAL N . 27043 1 457 . 1 1 183 183 PHE H H 1 8.702 . . 1 . . . . . 183 PHE H . 27043 1 458 . 1 1 183 183 PHE CA C 13 55.752 . . 1 . . . . . 183 PHE CA . 27043 1 459 . 1 1 183 183 PHE CB C 13 42.714 . . 1 . . . . . 183 PHE CB . 27043 1 460 . 1 1 183 183 PHE N N 15 128.271 . . 1 . . . . . 183 PHE N . 27043 1 461 . 1 1 184 184 TYR H H 1 9.167 . . 1 . . . . . 184 TYR H . 27043 1 462 . 1 1 184 184 TYR CA C 13 51.979 . . 1 . . . . . 184 TYR CA . 27043 1 463 . 1 1 184 184 TYR CB C 13 36.19 . . 1 . . . . . 184 TYR CB . 27043 1 464 . 1 1 184 184 TYR N N 15 134.293 . . 1 . . . . . 184 TYR N . 27043 1 465 . 1 1 187 187 PRO CA C 13 61.816 . . 1 . . . . . 187 PRO CA . 27043 1 466 . 1 1 187 187 PRO CB C 13 32.683 . . 1 . . . . . 187 PRO CB . 27043 1 467 . 1 1 188 188 GLY H H 1 7.429 . . 1 . . . . . 188 GLY H . 27043 1 468 . 1 1 188 188 GLY CA C 13 46.619 . . 1 . . . . . 188 GLY CA . 27043 1 469 . 1 1 188 188 GLY N N 15 108.143 . . 1 . . . . . 188 GLY N . 27043 1 470 . 1 1 189 189 HIS H H 1 7.033 . . 1 . . . . . 189 HIS H . 27043 1 471 . 1 1 189 189 HIS CA C 13 60.005 . . 1 . . . . . 189 HIS CA . 27043 1 472 . 1 1 189 189 HIS CB C 13 26.036 . . 1 . . . . . 189 HIS CB . 27043 1 473 . 1 1 189 189 HIS N N 15 132.38 . . 1 . . . . . 189 HIS N . 27043 1 474 . 1 1 190 190 THR H H 1 7.292 . . 1 . . . . . 190 THR H . 27043 1 475 . 1 1 190 190 THR CA C 13 59.414 . . 1 . . . . . 190 THR CA . 27043 1 476 . 1 1 190 190 THR CB C 13 72.321 . . 1 . . . . . 190 THR CB . 27043 1 477 . 1 1 190 190 THR N N 15 103.203 . . 1 . . . . . 190 THR N . 27043 1 478 . 1 1 191 191 SER H H 1 9.339 . . 1 . . . . . 191 SER H . 27043 1 479 . 1 1 191 191 SER CA C 13 61.051 . . 1 . . . . . 191 SER CA . 27043 1 480 . 1 1 191 191 SER CB C 13 62.064 . . 1 . . . . . 191 SER CB . 27043 1 481 . 1 1 191 191 SER N N 15 116.28 . . 1 . . . . . 191 SER N . 27043 1 482 . 1 1 192 192 ASP H H 1 9.147 . . 1 . . . . . 192 ASP H . 27043 1 483 . 1 1 192 192 ASP CA C 13 52.319 . . 1 . . . . . 192 ASP CA . 27043 1 484 . 1 1 192 192 ASP CB C 13 39.569 . . 1 . . . . . 192 ASP CB . 27043 1 485 . 1 1 192 192 ASP N N 15 114.113 . . 1 . . . . . 192 ASP N . 27043 1 486 . 1 1 193 193 ASN H H 1 6.475 . . 1 . . . . . 193 ASN H . 27043 1 487 . 1 1 193 193 ASN CA C 13 53.976 . . 1 . . . . . 193 ASN CA . 27043 1 488 . 1 1 193 193 ASN CB C 13 37.929 . . 1 . . . . . 193 ASN CB . 27043 1 489 . 1 1 193 193 ASN N N 15 116.813 . . 1 . . . . . 193 ASN N . 27043 1 490 . 1 1 194 194 ILE H H 1 8.348 . . 1 . . . . . 194 ILE H . 27043 1 491 . 1 1 194 194 ILE CA C 13 59.616 . . 1 . . . . . 194 ILE CA . 27043 1 492 . 1 1 194 194 ILE CB C 13 40.814 . . 1 . . . . . 194 ILE CB . 27043 1 493 . 1 1 194 194 ILE N N 15 113.96 . . 1 . . . . . 194 ILE N . 27043 1 494 . 1 1 195 195 THR H H 1 8.787 . . 1 . . . . . 195 THR H . 27043 1 495 . 1 1 195 195 THR CA C 13 59.874 . . 1 . . . . . 195 THR CA . 27043 1 496 . 1 1 195 195 THR CB C 13 71.783 . . 1 . . . . . 195 THR CB . 27043 1 497 . 1 1 195 195 THR N N 15 111.331 . . 1 . . . . . 195 THR N . 27043 1 498 . 1 1 196 196 VAL H H 1 8.335 . . 1 . . . . . 196 VAL H . 27043 1 499 . 1 1 196 196 VAL CA C 13 60.075 . . 1 . . . . . 196 VAL CA . 27043 1 500 . 1 1 196 196 VAL CB C 13 36.296 . . 1 . . . . . 196 VAL CB . 27043 1 501 . 1 1 196 196 VAL N N 15 116.68 . . 1 . . . . . 196 VAL N . 27043 1 502 . 1 1 197 197 GLY H H 1 9.585 . . 1 . . . . . 197 GLY H . 27043 1 503 . 1 1 197 197 GLY CA C 13 42.761 . . 1 . . . . . 197 GLY CA . 27043 1 504 . 1 1 197 197 GLY N N 15 117.435 . . 1 . . . . . 197 GLY N . 27043 1 505 . 1 1 198 198 ILE H H 1 6.881 . . 1 . . . . . 198 ILE H . 27043 1 506 . 1 1 198 198 ILE CA C 13 58.919 . . 1 . . . . . 198 ILE CA . 27043 1 507 . 1 1 198 198 ILE CB C 13 34.875 . . 1 . . . . . 198 ILE CB . 27043 1 508 . 1 1 198 198 ILE N N 15 119.521 . . 1 . . . . . 198 ILE N . 27043 1 509 . 1 1 199 199 ASP H H 1 9.599 . . 1 . . . . . 199 ASP H . 27043 1 510 . 1 1 199 199 ASP CA C 13 57.251 . . 1 . . . . . 199 ASP CA . 27043 1 511 . 1 1 199 199 ASP CB C 13 38.589 . . 1 . . . . . 199 ASP CB . 27043 1 512 . 1 1 199 199 ASP N N 15 131.594 . . 1 . . . . . 199 ASP N . 27043 1 513 . 1 1 200 200 GLY H H 1 8.287 . . 1 . . . . . 200 GLY H . 27043 1 514 . 1 1 200 200 GLY CA C 13 44.586 . . 1 . . . . . 200 GLY CA . 27043 1 515 . 1 1 200 200 GLY N N 15 108.525 . . 1 . . . . . 200 GLY N . 27043 1 516 . 1 1 201 201 THR H H 1 7.732 . . 1 . . . . . 201 THR H . 27043 1 517 . 1 1 201 201 THR CA C 13 59.501 . . 1 . . . . . 201 THR CA . 27043 1 518 . 1 1 201 201 THR CB C 13 71.998 . . 1 . . . . . 201 THR CB . 27043 1 519 . 1 1 201 201 THR N N 15 109.402 . . 1 . . . . . 201 THR N . 27043 1 520 . 1 1 202 202 ASP H H 1 8.777 . . 1 . . . . . 202 ASP H . 27043 1 521 . 1 1 202 202 ASP CA C 13 53.242 . . 1 . . . . . 202 ASP CA . 27043 1 522 . 1 1 202 202 ASP CB C 13 40.409 . . 1 . . . . . 202 ASP CB . 27043 1 523 . 1 1 202 202 ASP N N 15 119.636 . . 1 . . . . . 202 ASP N . 27043 1 524 . 1 1 203 203 ILE H H 1 8.242 . . 1 . . . . . 203 ILE H . 27043 1 525 . 1 1 203 203 ILE CA C 13 61.189 . . 1 . . . . . 203 ILE CA . 27043 1 526 . 1 1 203 203 ILE CB C 13 38.87 . . 1 . . . . . 203 ILE CB . 27043 1 527 . 1 1 203 203 ILE N N 15 119.771 . . 1 . . . . . 203 ILE N . 27043 1 528 . 1 1 204 204 ALA H H 1 8.44 . . 1 . . . . . 204 ALA H . 27043 1 529 . 1 1 204 204 ALA CA C 13 51.199 . . 1 . . . . . 204 ALA CA . 27043 1 530 . 1 1 204 204 ALA CB C 13 20.617 . . 1 . . . . . 204 ALA CB . 27043 1 531 . 1 1 204 204 ALA N N 15 128.25 . . 1 . . . . . 204 ALA N . 27043 1 532 . 1 1 205 205 PHE H H 1 9.675 . . 1 . . . . . 205 PHE H . 27043 1 533 . 1 1 205 205 PHE CA C 13 54.853 . . 1 . . . . . 205 PHE CA . 27043 1 534 . 1 1 205 205 PHE CB C 13 40.002 . . 1 . . . . . 205 PHE CB . 27043 1 535 . 1 1 205 205 PHE N N 15 123.285 . . 1 . . . . . 205 PHE N . 27043 1 536 . 1 1 206 206 GLY H H 1 8.841 . . 1 . . . . . 206 GLY H . 27043 1 537 . 1 1 206 206 GLY CA C 13 43.543 . . 1 . . . . . 206 GLY CA . 27043 1 538 . 1 1 206 206 GLY N N 15 112.635 . . 1 . . . . . 206 GLY N . 27043 1 539 . 1 1 207 207 GLY CA C 13 46.3 . . 1 . . . . . 207 GLY CA . 27043 1 540 . 1 1 208 208 CYS H H 1 8.123 . . 1 . . . . . 208 CYS H . 27043 1 541 . 1 1 208 208 CYS CA C 13 57.887 . . 1 . . . . . 208 CYS CA . 27043 1 542 . 1 1 208 208 CYS CB C 13 24.217 . . 1 . . . . . 208 CYS CB . 27043 1 543 . 1 1 208 208 CYS N N 15 125.515 . . 1 . . . . . 208 CYS N . 27043 1 544 . 1 1 209 209 LEU H H 1 6.774 . . 1 . . . . . 209 LEU H . 27043 1 545 . 1 1 209 209 LEU CA C 13 56.047 . . 1 . . . . . 209 LEU CA . 27043 1 546 . 1 1 209 209 LEU CB C 13 41.961 . . 1 . . . . . 209 LEU CB . 27043 1 547 . 1 1 209 209 LEU N N 15 116.381 . . 1 . . . . . 209 LEU N . 27043 1 548 . 1 1 210 210 ILE H H 1 5.592 . . 1 . . . . . 210 ILE H . 27043 1 549 . 1 1 210 210 ILE CA C 13 56.232 . . 1 . . . . . 210 ILE CA . 27043 1 550 . 1 1 210 210 ILE CB C 13 36.495 . . 1 . . . . . 210 ILE CB . 27043 1 551 . 1 1 210 210 ILE N N 15 115.539 . . 1 . . . . . 210 ILE N . 27043 1 552 . 1 1 211 211 LYS H H 1 8.059 . . 1 . . . . . 211 LYS H . 27043 1 553 . 1 1 211 211 LYS CA C 13 52.365 . . 1 . . . . . 211 LYS CA . 27043 1 554 . 1 1 211 211 LYS CB C 13 32.583 . . 1 . . . . . 211 LYS CB . 27043 1 555 . 1 1 211 211 LYS N N 15 125.026 . . 1 . . . . . 211 LYS N . 27043 1 556 . 1 1 212 212 ASP H H 1 6.83 . . 1 . . . . . 212 ASP H . 27043 1 557 . 1 1 212 212 ASP CA C 13 53.554 . . 1 . . . . . 212 ASP CA . 27043 1 558 . 1 1 212 212 ASP CB C 13 41.451 . . 1 . . . . . 212 ASP CB . 27043 1 559 . 1 1 212 212 ASP N N 15 112.272 . . 1 . . . . . 212 ASP N . 27043 1 560 . 1 1 213 213 SER H H 1 8.6 . . 1 . . . . . 213 SER H . 27043 1 561 . 1 1 213 213 SER CA C 13 60.431 . . 1 . . . . . 213 SER CA . 27043 1 562 . 1 1 213 213 SER CB C 13 62.237 . . 1 . . . . . 213 SER CB . 27043 1 563 . 1 1 213 213 SER N N 15 110.351 . . 1 . . . . . 213 SER N . 27043 1 564 . 1 1 214 214 LYS H H 1 7.935 . . 1 . . . . . 214 LYS H . 27043 1 565 . 1 1 214 214 LYS CA C 13 54.413 . . 1 . . . . . 214 LYS CA . 27043 1 566 . 1 1 214 214 LYS CB C 13 30.987 . . 1 . . . . . 214 LYS CB . 27043 1 567 . 1 1 214 214 LYS N N 15 119.996 . . 1 . . . . . 214 LYS N . 27043 1 568 . 1 1 215 215 ALA H H 1 7.509 . . 1 . . . . . 215 ALA H . 27043 1 569 . 1 1 215 215 ALA CA C 13 52.825 . . 1 . . . . . 215 ALA CA . 27043 1 570 . 1 1 215 215 ALA CB C 13 19.393 . . 1 . . . . . 215 ALA CB . 27043 1 571 . 1 1 215 215 ALA N N 15 125.622 . . 1 . . . . . 215 ALA N . 27043 1 572 . 1 1 221 221 LEU CA C 13 53.635 . . 1 . . . . . 221 LEU CA . 27043 1 573 . 1 1 221 221 LEU CB C 13 40.782 . . 1 . . . . . 221 LEU CB . 27043 1 574 . 1 1 222 222 GLY H H 1 8.436 . . 1 . . . . . 222 GLY H . 27043 1 575 . 1 1 222 222 GLY CA C 13 47.265 . . 1 . . . . . 222 GLY CA . 27043 1 576 . 1 1 222 222 GLY N N 15 110.258 . . 1 . . . . . 222 GLY N . 27043 1 577 . 1 1 223 223 ASP H H 1 8.097 . . 1 . . . . . 223 ASP H . 27043 1 578 . 1 1 223 223 ASP CA C 13 52.913 . . 1 . . . . . 223 ASP CA . 27043 1 579 . 1 1 223 223 ASP CB C 13 41.554 . . 1 . . . . . 223 ASP CB . 27043 1 580 . 1 1 223 223 ASP N N 15 118.622 . . 1 . . . . . 223 ASP N . 27043 1 581 . 1 1 224 224 ALA H H 1 7.123 . . 1 . . . . . 224 ALA H . 27043 1 582 . 1 1 224 224 ALA CA C 13 51.593 . . 1 . . . . . 224 ALA CA . 27043 1 583 . 1 1 224 224 ALA CB C 13 20.234 . . 1 . . . . . 224 ALA CB . 27043 1 584 . 1 1 224 224 ALA N N 15 122.156 . . 1 . . . . . 224 ALA N . 27043 1 585 . 1 1 225 225 ASP H H 1 8.284 . . 1 . . . . . 225 ASP H . 27043 1 586 . 1 1 225 225 ASP CA C 13 51.759 . . 1 . . . . . 225 ASP CA . 27043 1 587 . 1 1 225 225 ASP CB C 13 40.846 . . 1 . . . . . 225 ASP CB . 27043 1 588 . 1 1 225 225 ASP N N 15 120.767 . . 1 . . . . . 225 ASP N . 27043 1 589 . 1 1 226 226 THR H H 1 8.213 . . 1 . . . . . 226 THR H . 27043 1 590 . 1 1 226 226 THR CA C 13 64.484 . . 1 . . . . . 226 THR CA . 27043 1 591 . 1 1 226 226 THR CB C 13 67.352 . . 1 . . . . . 226 THR CB . 27043 1 592 . 1 1 226 226 THR N N 15 114.426 . . 1 . . . . . 226 THR N . 27043 1 593 . 1 1 227 227 GLU H H 1 7.837 . . 1 . . . . . 227 GLU H . 27043 1 594 . 1 1 227 227 GLU CA C 13 57.784 . . 1 . . . . . 227 GLU CA . 27043 1 595 . 1 1 227 227 GLU CB C 13 28.522 . . 1 . . . . . 227 GLU CB . 27043 1 596 . 1 1 227 227 GLU N N 15 121.662 . . 1 . . . . . 227 GLU N . 27043 1 597 . 1 1 228 228 HIS H H 1 7.523 . . 1 . . . . . 228 HIS H . 27043 1 598 . 1 1 228 228 HIS CA C 13 56.833 . . 1 . . . . . 228 HIS CA . 27043 1 599 . 1 1 228 228 HIS CB C 13 30.168 . . 1 . . . . . 228 HIS CB . 27043 1 600 . 1 1 228 228 HIS N N 15 114.907 . . 1 . . . . . 228 HIS N . 27043 1 601 . 1 1 229 229 TYR H H 1 7.256 . . 1 . . . . . 229 TYR H . 27043 1 602 . 1 1 229 229 TYR CA C 13 60.773 . . 1 . . . . . 229 TYR CA . 27043 1 603 . 1 1 229 229 TYR CB C 13 35.972 . . 1 . . . . . 229 TYR CB . 27043 1 604 . 1 1 229 229 TYR N N 15 120.846 . . 1 . . . . . 229 TYR N . 27043 1 605 . 1 1 230 230 ALA H H 1 8.814 . . 1 . . . . . 230 ALA H . 27043 1 606 . 1 1 230 230 ALA CA C 13 56.269 . . 1 . . . . . 230 ALA CA . 27043 1 607 . 1 1 230 230 ALA CB C 13 17.617 . . 1 . . . . . 230 ALA CB . 27043 1 608 . 1 1 230 230 ALA N N 15 121.501 . . 1 . . . . . 230 ALA N . 27043 1 609 . 1 1 231 231 ALA H H 1 7.85 . . 1 . . . . . 231 ALA H . 27043 1 610 . 1 1 231 231 ALA CA C 13 54.266 . . 1 . . . . . 231 ALA CA . 27043 1 611 . 1 1 231 231 ALA CB C 13 17.003 . . 1 . . . . . 231 ALA CB . 27043 1 612 . 1 1 231 231 ALA N N 15 119.791 . . 1 . . . . . 231 ALA N . 27043 1 613 . 1 1 232 232 SER H H 1 8.511 . . 1 . . . . . 232 SER H . 27043 1 614 . 1 1 232 232 SER CA C 13 60.04 . . 1 . . . . . 232 SER CA . 27043 1 615 . 1 1 232 232 SER CB C 13 61.111 . . 1 . . . . . 232 SER CB . 27043 1 616 . 1 1 232 232 SER N N 15 119.624 . . 1 . . . . . 232 SER N . 27043 1 617 . 1 1 233 233 ALA H H 1 8.594 . . 1 . . . . . 233 ALA H . 27043 1 618 . 1 1 233 233 ALA CA C 13 55.33 . . 1 . . . . . 233 ALA CA . 27043 1 619 . 1 1 233 233 ALA CB C 13 15.986 . . 1 . . . . . 233 ALA CB . 27043 1 620 . 1 1 233 233 ALA N N 15 123.844 . . 1 . . . . . 233 ALA N . 27043 1 621 . 1 1 234 234 ARG H H 1 7.96 . . 1 . . . . . 234 ARG H . 27043 1 622 . 1 1 234 234 ARG CA C 13 59.797 . . 1 . . . . . 234 ARG CA . 27043 1 623 . 1 1 234 234 ARG CB C 13 28.333 . . 1 . . . . . 234 ARG CB . 27043 1 624 . 1 1 234 234 ARG N N 15 115.091 . . 1 . . . . . 234 ARG N . 27043 1 625 . 1 1 235 235 ALA H H 1 8.586 . . 1 . . . . . 235 ALA H . 27043 1 626 . 1 1 235 235 ALA CA C 13 54.585 . . 1 . . . . . 235 ALA CA . 27043 1 627 . 1 1 235 235 ALA CB C 13 16.78 . . 1 . . . . . 235 ALA CB . 27043 1 628 . 1 1 235 235 ALA N N 15 124.946 . . 1 . . . . . 235 ALA N . 27043 1 629 . 1 1 236 236 PHE H H 1 7.879 . . 1 . . . . . 236 PHE H . 27043 1 630 . 1 1 236 236 PHE CA C 13 60.109 . . 1 . . . . . 236 PHE CA . 27043 1 631 . 1 1 236 236 PHE CB C 13 37.452 . . 1 . . . . . 236 PHE CB . 27043 1 632 . 1 1 236 236 PHE N N 15 118.836 . . 1 . . . . . 236 PHE N . 27043 1 633 . 1 1 237 237 GLY H H 1 7.44 . . 1 . . . . . 237 GLY H . 27043 1 634 . 1 1 237 237 GLY CA C 13 47.243 . . 1 . . . . . 237 GLY CA . 27043 1 635 . 1 1 237 237 GLY N N 15 103.226 . . 1 . . . . . 237 GLY N . 27043 1 636 . 1 1 238 238 ALA H H 1 7.521 . . 1 . . . . . 238 ALA H . 27043 1 637 . 1 1 238 238 ALA CA C 13 52.531 . . 1 . . . . . 238 ALA CA . 27043 1 638 . 1 1 238 238 ALA CB C 13 17.284 . . 1 . . . . . 238 ALA CB . 27043 1 639 . 1 1 238 238 ALA N N 15 120.945 . . 1 . . . . . 238 ALA N . 27043 1 640 . 1 1 239 239 ALA H H 1 7.178 . . 1 . . . . . 239 ALA H . 27043 1 641 . 1 1 239 239 ALA CA C 13 53.023 . . 1 . . . . . 239 ALA CA . 27043 1 642 . 1 1 239 239 ALA CB C 13 15.511 . . 1 . . . . . 239 ALA CB . 27043 1 643 . 1 1 239 239 ALA N N 15 122.25 . . 1 . . . . . 239 ALA N . 27043 1 644 . 1 1 240 240 PHE H H 1 6.065 . . 1 . . . . . 240 PHE H . 27043 1 645 . 1 1 240 240 PHE CA C 13 53.728 . . 1 . . . . . 240 PHE CA . 27043 1 646 . 1 1 240 240 PHE CB C 13 37.724 . . 1 . . . . . 240 PHE CB . 27043 1 647 . 1 1 240 240 PHE N N 15 112.495 . . 1 . . . . . 240 PHE N . 27043 1 648 . 1 1 241 241 PRO CA C 13 64.228 . . 1 . . . . . 241 PRO CA . 27043 1 649 . 1 1 241 241 PRO CB C 13 31.131 . . 1 . . . . . 241 PRO CB . 27043 1 650 . 1 1 242 242 LYS H H 1 8.424 . . 1 . . . . . 242 LYS H . 27043 1 651 . 1 1 242 242 LYS CA C 13 54.581 . . 1 . . . . . 242 LYS CA . 27043 1 652 . 1 1 242 242 LYS CB C 13 31.154 . . 1 . . . . . 242 LYS CB . 27043 1 653 . 1 1 242 242 LYS N N 15 116.959 . . 1 . . . . . 242 LYS N . 27043 1 654 . 1 1 243 243 ALA H H 1 6.78 . . 1 . . . . . 243 ALA H . 27043 1 655 . 1 1 243 243 ALA CA C 13 52.84 . . 1 . . . . . 243 ALA CA . 27043 1 656 . 1 1 243 243 ALA CB C 13 18.046 . . 1 . . . . . 243 ALA CB . 27043 1 657 . 1 1 243 243 ALA N N 15 123.612 . . 1 . . . . . 243 ALA N . 27043 1 658 . 1 1 244 244 SER H H 1 8.139 . . 1 . . . . . 244 SER H . 27043 1 659 . 1 1 244 244 SER CA C 13 57.086 . . 1 . . . . . 244 SER CA . 27043 1 660 . 1 1 244 244 SER CB C 13 63.976 . . 1 . . . . . 244 SER CB . 27043 1 661 . 1 1 244 244 SER N N 15 116.37 . . 1 . . . . . 244 SER N . 27043 1 662 . 1 1 245 245 MET H H 1 8.234 . . 1 . . . . . 245 MET H . 27043 1 663 . 1 1 245 245 MET CA C 13 54.815 . . 1 . . . . . 245 MET CA . 27043 1 664 . 1 1 245 245 MET CB C 13 33.349 . . 1 . . . . . 245 MET CB . 27043 1 665 . 1 1 245 245 MET N N 15 126.117 . . 1 . . . . . 245 MET N . 27043 1 666 . 1 1 247 247 VAL CA C 13 60.336 . . 1 . . . . . 247 VAL CA . 27043 1 667 . 1 1 247 247 VAL CB C 13 32.077 . . 1 . . . . . 247 VAL CB . 27043 1 668 . 1 1 248 248 MET H H 1 10.006 . . 1 . . . . . 248 MET H . 27043 1 669 . 1 1 248 248 MET CA C 13 53.813 . . 1 . . . . . 248 MET CA . 27043 1 670 . 1 1 248 248 MET CB C 13 37.503 . . 1 . . . . . 248 MET CB . 27043 1 671 . 1 1 248 248 MET N N 15 128.716 . . 1 . . . . . 248 MET N . 27043 1 672 . 1 1 249 249 SER H H 1 7.154 . . 1 . . . . . 249 SER H . 27043 1 673 . 1 1 249 249 SER CA C 13 59.365 . . 1 . . . . . 249 SER CA . 27043 1 674 . 1 1 249 249 SER CB C 13 61.856 . . 1 . . . . . 249 SER CB . 27043 1 675 . 1 1 249 249 SER N N 15 112.731 . . 1 . . . . . 249 SER N . 27043 1 676 . 1 1 250 250 HIS H H 1 8.114 . . 1 . . . . . 250 HIS H . 27043 1 677 . 1 1 250 250 HIS CA C 13 53.741 . . 1 . . . . . 250 HIS CA . 27043 1 678 . 1 1 250 250 HIS CB C 13 28.144 . . 1 . . . . . 250 HIS CB . 27043 1 679 . 1 1 250 250 HIS N N 15 112.994 . . 1 . . . . . 250 HIS N . 27043 1 680 . 1 1 251 251 SER H H 1 6.958 . . 1 . . . . . 251 SER H . 27043 1 681 . 1 1 251 251 SER CA C 13 57.276 . . 1 . . . . . 251 SER CA . 27043 1 682 . 1 1 251 251 SER CB C 13 66.951 . . 1 . . . . . 251 SER CB . 27043 1 683 . 1 1 251 251 SER N N 15 114.112 . . 1 . . . . . 251 SER N . 27043 1 684 . 1 1 252 252 ALA H H 1 8.27 . . 1 . . . . . 252 ALA H . 27043 1 685 . 1 1 252 252 ALA CA C 13 51.014 . . 1 . . . . . 252 ALA CA . 27043 1 686 . 1 1 252 252 ALA CB C 13 16.086 . . 1 . . . . . 252 ALA CB . 27043 1 687 . 1 1 252 252 ALA N N 15 126.088 . . 1 . . . . . 252 ALA N . 27043 1 688 . 1 1 253 253 PRO CA C 13 63.642 . . 1 . . . . . 253 PRO CA . 27043 1 689 . 1 1 253 253 PRO CB C 13 30.996 . . 1 . . . . . 253 PRO CB . 27043 1 690 . 1 1 254 254 ASP H H 1 8.595 . . 1 . . . . . 254 ASP H . 27043 1 691 . 1 1 254 254 ASP CA C 13 50.692 . . 1 . . . . . 254 ASP CA . 27043 1 692 . 1 1 254 254 ASP CB C 13 45.793 . . 1 . . . . . 254 ASP CB . 27043 1 693 . 1 1 254 254 ASP N N 15 122.286 . . 1 . . . . . 254 ASP N . 27043 1 694 . 1 1 255 255 SER H H 1 9.095 . . 1 . . . . . 255 SER H . 27043 1 695 . 1 1 255 255 SER CA C 13 56.511 . . 1 . . . . . 255 SER CA . 27043 1 696 . 1 1 255 255 SER CB C 13 64.751 . . 1 . . . . . 255 SER CB . 27043 1 697 . 1 1 255 255 SER N N 15 116.156 . . 1 . . . . . 255 SER N . 27043 1 698 . 1 1 256 256 ARG H H 1 8.437 . . 1 . . . . . 256 ARG H . 27043 1 699 . 1 1 256 256 ARG CA C 13 59.986 . . 1 . . . . . 256 ARG CA . 27043 1 700 . 1 1 256 256 ARG CB C 13 29.02 . . 1 . . . . . 256 ARG CB . 27043 1 701 . 1 1 256 256 ARG N N 15 115.519 . . 1 . . . . . 256 ARG N . 27043 1 702 . 1 1 257 257 ALA CA C 13 54.216 . . 1 . . . . . 257 ALA CA . 27043 1 703 . 1 1 257 257 ALA CB C 13 17.121 . . 1 . . . . . 257 ALA CB . 27043 1 704 . 1 1 258 258 ALA H H 1 7.874 . . 1 . . . . . 258 ALA H . 27043 1 705 . 1 1 258 258 ALA CA C 13 55.444 . . 1 . . . . . 258 ALA CA . 27043 1 706 . 1 1 258 258 ALA CB C 13 18.786 . . 1 . . . . . 258 ALA CB . 27043 1 707 . 1 1 258 258 ALA N N 15 119.871 . . 1 . . . . . 258 ALA N . 27043 1 708 . 1 1 259 259 ILE H H 1 7.673 . . 1 . . . . . 259 ILE H . 27043 1 709 . 1 1 259 259 ILE CA C 13 65.536 . . 1 . . . . . 259 ILE CA . 27043 1 710 . 1 1 259 259 ILE CB C 13 37.217 . . 1 . . . . . 259 ILE CB . 27043 1 711 . 1 1 259 259 ILE N N 15 118.742 . . 1 . . . . . 259 ILE N . 27043 1 712 . 1 1 260 260 THR H H 1 7.083 . . 1 . . . . . 260 THR H . 27043 1 713 . 1 1 260 260 THR CA C 13 65.101 . . 1 . . . . . 260 THR CA . 27043 1 714 . 1 1 260 260 THR CB C 13 68.02 . . 1 . . . . . 260 THR CB . 27043 1 715 . 1 1 260 260 THR N N 15 113.441 . . 1 . . . . . 260 THR N . 27043 1 716 . 1 1 261 261 HIS H H 1 8.515 . . 1 . . . . . 261 HIS H . 27043 1 717 . 1 1 261 261 HIS CA C 13 59.374 . . 1 . . . . . 261 HIS CA . 27043 1 718 . 1 1 261 261 HIS CB C 13 31.445 . . 1 . . . . . 261 HIS CB . 27043 1 719 . 1 1 261 261 HIS N N 15 121.978 . . 1 . . . . . 261 HIS N . 27043 1 720 . 1 1 262 262 THR H H 1 7.976 . . 1 . . . . . 262 THR H . 27043 1 721 . 1 1 262 262 THR CA C 13 67.902 . . 1 . . . . . 262 THR CA . 27043 1 722 . 1 1 262 262 THR CB C 13 72.89 . . 1 . . . . . 262 THR CB . 27043 1 723 . 1 1 262 262 THR N N 15 115.78 . . 1 . . . . . 262 THR N . 27043 1 724 . 1 1 263 263 ALA H H 1 8.222 . . 1 . . . . . 263 ALA H . 27043 1 725 . 1 1 263 263 ALA CA C 13 55.434 . . 1 . . . . . 263 ALA CA . 27043 1 726 . 1 1 263 263 ALA CB C 13 16.977 . . 1 . . . . . 263 ALA CB . 27043 1 727 . 1 1 263 263 ALA N N 15 122.062 . . 1 . . . . . 263 ALA N . 27043 1 728 . 1 1 264 264 ARG H H 1 7.84 . . 1 . . . . . 264 ARG H . 27043 1 729 . 1 1 264 264 ARG CA C 13 58.89 . . 1 . . . . . 264 ARG CA . 27043 1 730 . 1 1 264 264 ARG CB C 13 28.686 . . 1 . . . . . 264 ARG CB . 27043 1 731 . 1 1 264 264 ARG N N 15 117.786 . . 1 . . . . . 264 ARG N . 27043 1 732 . 1 1 265 265 MET H H 1 7.974 . . 1 . . . . . 265 MET H . 27043 1 733 . 1 1 265 265 MET CA C 13 59.311 . . 1 . . . . . 265 MET CA . 27043 1 734 . 1 1 265 265 MET CB C 13 32.884 . . 1 . . . . . 265 MET CB . 27043 1 735 . 1 1 265 265 MET N N 15 119.571 . . 1 . . . . . 265 MET N . 27043 1 736 . 1 1 266 266 ALA H H 1 8.316 . . 1 . . . . . 266 ALA H . 27043 1 737 . 1 1 266 266 ALA CA C 13 53.713 . . 1 . . . . . 266 ALA CA . 27043 1 738 . 1 1 266 266 ALA CB C 13 15.449 . . 1 . . . . . 266 ALA CB . 27043 1 739 . 1 1 266 266 ALA N N 15 122.896 . . 1 . . . . . 266 ALA N . 27043 1 740 . 1 1 267 267 ASP H H 1 8.67 . . 1 . . . . . 267 ASP H . 27043 1 741 . 1 1 267 267 ASP CA C 13 56.941 . . 1 . . . . . 267 ASP CA . 27043 1 742 . 1 1 267 267 ASP CB C 13 39.346 . . 1 . . . . . 267 ASP CB . 27043 1 743 . 1 1 267 267 ASP N N 15 125.328 . . 1 . . . . . 267 ASP N . 27043 1 744 . 1 1 268 268 LYS H H 1 7.062 . . 1 . . . . . 268 LYS H . 27043 1 745 . 1 1 268 268 LYS CA C 13 58.058 . . 1 . . . . . 268 LYS CA . 27043 1 746 . 1 1 268 268 LYS CB C 13 31.01 . . 1 . . . . . 268 LYS CB . 27043 1 747 . 1 1 268 268 LYS N N 15 118.472 . . 1 . . . . . 268 LYS N . 27043 1 stop_ save_