data_51992 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51992 _Entry.Title ; Resonance assignments for papain-like protease from Severe Acute Respiratory Syndrome Coronavirus 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-06-07 _Entry.Accession_date 2023-06-07 _Entry.Last_release_date 2023-06-07 _Entry.Original_release_date 2023-06-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _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 Yutaro Shiraishi . . . . 51992 2 Ichio Shimada . . . . 51992 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51992 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 335 51992 '15N chemical shifts' 170 51992 '1H chemical shifts' 170 51992 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 . . 2023-10-05 2023-06-07 update BMRB 'update entry citation' 51992 1 . . 2023-07-24 2023-06-07 original author 'original release' 51992 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51992 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37478405 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR Characterization of the Papain-like Protease from SARS-CoV-2 Identifies the Conformational Heterogeneity in Its Inhibitor-Binding Site ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 145 _Citation.Journal_issue 30 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 16669 _Citation.Page_last 16677 _Citation.Year 2023 _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 Yutaro Shiraishi . . . . 51992 1 2 Ichio Shimada . . . . 51992 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51992 _Assembly.ID 1 _Assembly.Name PLproC111S _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 PLproC111S 1 $entity_1 . . yes native no no . . . 51992 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51992 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; EVRTIKVFTTVDNINLHTQV VDMSMTYGQQFGPTYLDGAD VTKIKPHNSHEGKTFYVLPN DDTLRVEAFEYYHTTDPSFL GRYMSALNHTKKWKYPQVNG LTSIKWADNNSYLATALLTL QQIELKFNPPALQDAYYRAR AGEAANFCALILAYCNKTVG ELGDVRETMSYLFQHANLDS CKRVLNVVCKTCGQQQTTLK GVEAVMYMGTLSYEQFKKGV QIPCTCGKQATKYLVQQESP FVMMSAPPAQYELKHGTFTC ASEYTGNYQCGHYKHITSKE TLYCIDGALLTKSSEYKGPI TDVFYKENSYTTTIK ; _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 315 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 . GLU . 51992 1 2 . VAL . 51992 1 3 . ARG . 51992 1 4 . THR . 51992 1 5 . ILE . 51992 1 6 . LYS . 51992 1 7 . VAL . 51992 1 8 . PHE . 51992 1 9 . THR . 51992 1 10 . THR . 51992 1 11 . VAL . 51992 1 12 . ASP . 51992 1 13 . ASN . 51992 1 14 . ILE . 51992 1 15 . ASN . 51992 1 16 . LEU . 51992 1 17 . HIS . 51992 1 18 . THR . 51992 1 19 . GLN . 51992 1 20 . VAL . 51992 1 21 . VAL . 51992 1 22 . ASP . 51992 1 23 . MET . 51992 1 24 . SER . 51992 1 25 . MET . 51992 1 26 . THR . 51992 1 27 . TYR . 51992 1 28 . GLY . 51992 1 29 . GLN . 51992 1 30 . GLN . 51992 1 31 . PHE . 51992 1 32 . GLY . 51992 1 33 . PRO . 51992 1 34 . THR . 51992 1 35 . TYR . 51992 1 36 . LEU . 51992 1 37 . ASP . 51992 1 38 . GLY . 51992 1 39 . ALA . 51992 1 40 . ASP . 51992 1 41 . VAL . 51992 1 42 . THR . 51992 1 43 . LYS . 51992 1 44 . ILE . 51992 1 45 . LYS . 51992 1 46 . PRO . 51992 1 47 . HIS . 51992 1 48 . ASN . 51992 1 49 . SER . 51992 1 50 . HIS . 51992 1 51 . GLU . 51992 1 52 . GLY . 51992 1 53 . LYS . 51992 1 54 . THR . 51992 1 55 . PHE . 51992 1 56 . TYR . 51992 1 57 . VAL . 51992 1 58 . LEU . 51992 1 59 . PRO . 51992 1 60 . ASN . 51992 1 61 . ASP . 51992 1 62 . ASP . 51992 1 63 . THR . 51992 1 64 . LEU . 51992 1 65 . ARG . 51992 1 66 . VAL . 51992 1 67 . GLU . 51992 1 68 . ALA . 51992 1 69 . PHE . 51992 1 70 . GLU . 51992 1 71 . TYR . 51992 1 72 . TYR . 51992 1 73 . HIS . 51992 1 74 . THR . 51992 1 75 . THR . 51992 1 76 . ASP . 51992 1 77 . PRO . 51992 1 78 . SER . 51992 1 79 . PHE . 51992 1 80 . LEU . 51992 1 81 . GLY . 51992 1 82 . ARG . 51992 1 83 . TYR . 51992 1 84 . MET . 51992 1 85 . SER . 51992 1 86 . ALA . 51992 1 87 . LEU . 51992 1 88 . ASN . 51992 1 89 . HIS . 51992 1 90 . THR . 51992 1 91 . LYS . 51992 1 92 . LYS . 51992 1 93 . TRP . 51992 1 94 . LYS . 51992 1 95 . TYR . 51992 1 96 . PRO . 51992 1 97 . GLN . 51992 1 98 . VAL . 51992 1 99 . ASN . 51992 1 100 . GLY . 51992 1 101 . LEU . 51992 1 102 . THR . 51992 1 103 . SER . 51992 1 104 . ILE . 51992 1 105 . LYS . 51992 1 106 . TRP . 51992 1 107 . ALA . 51992 1 108 . ASP . 51992 1 109 . ASN . 51992 1 110 . ASN . 51992 1 111 . SER . 51992 1 112 . TYR . 51992 1 113 . LEU . 51992 1 114 . ALA . 51992 1 115 . THR . 51992 1 116 . ALA . 51992 1 117 . LEU . 51992 1 118 . LEU . 51992 1 119 . THR . 51992 1 120 . LEU . 51992 1 121 . GLN . 51992 1 122 . GLN . 51992 1 123 . ILE . 51992 1 124 . GLU . 51992 1 125 . LEU . 51992 1 126 . LYS . 51992 1 127 . PHE . 51992 1 128 . ASN . 51992 1 129 . PRO . 51992 1 130 . PRO . 51992 1 131 . ALA . 51992 1 132 . LEU . 51992 1 133 . GLN . 51992 1 134 . ASP . 51992 1 135 . ALA . 51992 1 136 . TYR . 51992 1 137 . TYR . 51992 1 138 . ARG . 51992 1 139 . ALA . 51992 1 140 . ARG . 51992 1 141 . ALA . 51992 1 142 . GLY . 51992 1 143 . GLU . 51992 1 144 . ALA . 51992 1 145 . ALA . 51992 1 146 . ASN . 51992 1 147 . PHE . 51992 1 148 . CYS . 51992 1 149 . ALA . 51992 1 150 . LEU . 51992 1 151 . ILE . 51992 1 152 . LEU . 51992 1 153 . ALA . 51992 1 154 . TYR . 51992 1 155 . CYS . 51992 1 156 . ASN . 51992 1 157 . LYS . 51992 1 158 . THR . 51992 1 159 . VAL . 51992 1 160 . GLY . 51992 1 161 . GLU . 51992 1 162 . LEU . 51992 1 163 . GLY . 51992 1 164 . ASP . 51992 1 165 . VAL . 51992 1 166 . ARG . 51992 1 167 . GLU . 51992 1 168 . THR . 51992 1 169 . MET . 51992 1 170 . SER . 51992 1 171 . TYR . 51992 1 172 . LEU . 51992 1 173 . PHE . 51992 1 174 . GLN . 51992 1 175 . HIS . 51992 1 176 . ALA . 51992 1 177 . ASN . 51992 1 178 . LEU . 51992 1 179 . ASP . 51992 1 180 . SER . 51992 1 181 . CYS . 51992 1 182 . LYS . 51992 1 183 . ARG . 51992 1 184 . VAL . 51992 1 185 . LEU . 51992 1 186 . ASN . 51992 1 187 . VAL . 51992 1 188 . VAL . 51992 1 189 . CYS . 51992 1 190 . LYS . 51992 1 191 . THR . 51992 1 192 . CYS . 51992 1 193 . GLY . 51992 1 194 . GLN . 51992 1 195 . GLN . 51992 1 196 . GLN . 51992 1 197 . THR . 51992 1 198 . THR . 51992 1 199 . LEU . 51992 1 200 . LYS . 51992 1 201 . GLY . 51992 1 202 . VAL . 51992 1 203 . GLU . 51992 1 204 . ALA . 51992 1 205 . VAL . 51992 1 206 . MET . 51992 1 207 . TYR . 51992 1 208 . MET . 51992 1 209 . GLY . 51992 1 210 . THR . 51992 1 211 . LEU . 51992 1 212 . SER . 51992 1 213 . TYR . 51992 1 214 . GLU . 51992 1 215 . GLN . 51992 1 216 . PHE . 51992 1 217 . LYS . 51992 1 218 . LYS . 51992 1 219 . GLY . 51992 1 220 . VAL . 51992 1 221 . GLN . 51992 1 222 . ILE . 51992 1 223 . PRO . 51992 1 224 . CYS . 51992 1 225 . THR . 51992 1 226 . CYS . 51992 1 227 . GLY . 51992 1 228 . LYS . 51992 1 229 . GLN . 51992 1 230 . ALA . 51992 1 231 . THR . 51992 1 232 . LYS . 51992 1 233 . TYR . 51992 1 234 . LEU . 51992 1 235 . VAL . 51992 1 236 . GLN . 51992 1 237 . GLN . 51992 1 238 . GLU . 51992 1 239 . SER . 51992 1 240 . PRO . 51992 1 241 . PHE . 51992 1 242 . VAL . 51992 1 243 . MET . 51992 1 244 . MET . 51992 1 245 . SER . 51992 1 246 . ALA . 51992 1 247 . PRO . 51992 1 248 . PRO . 51992 1 249 . ALA . 51992 1 250 . GLN . 51992 1 251 . TYR . 51992 1 252 . GLU . 51992 1 253 . LEU . 51992 1 254 . LYS . 51992 1 255 . HIS . 51992 1 256 . GLY . 51992 1 257 . THR . 51992 1 258 . PHE . 51992 1 259 . THR . 51992 1 260 . CYS . 51992 1 261 . ALA . 51992 1 262 . SER . 51992 1 263 . GLU . 51992 1 264 . TYR . 51992 1 265 . THR . 51992 1 266 . GLY . 51992 1 267 . ASN . 51992 1 268 . TYR . 51992 1 269 . GLN . 51992 1 270 . CYS . 51992 1 271 . GLY . 51992 1 272 . HIS . 51992 1 273 . TYR . 51992 1 274 . LYS . 51992 1 275 . HIS . 51992 1 276 . ILE . 51992 1 277 . THR . 51992 1 278 . SER . 51992 1 279 . LYS . 51992 1 280 . GLU . 51992 1 281 . THR . 51992 1 282 . LEU . 51992 1 283 . TYR . 51992 1 284 . CYS . 51992 1 285 . ILE . 51992 1 286 . ASP . 51992 1 287 . GLY . 51992 1 288 . ALA . 51992 1 289 . LEU . 51992 1 290 . LEU . 51992 1 291 . THR . 51992 1 292 . LYS . 51992 1 293 . SER . 51992 1 294 . SER . 51992 1 295 . GLU . 51992 1 296 . TYR . 51992 1 297 . LYS . 51992 1 298 . GLY . 51992 1 299 . PRO . 51992 1 300 . ILE . 51992 1 301 . THR . 51992 1 302 . ASP . 51992 1 303 . VAL . 51992 1 304 . PHE . 51992 1 305 . TYR . 51992 1 306 . LYS . 51992 1 307 . GLU . 51992 1 308 . ASN . 51992 1 309 . SER . 51992 1 310 . TYR . 51992 1 311 . THR . 51992 1 312 . THR . 51992 1 313 . THR . 51992 1 314 . ILE . 51992 1 315 . LYS . 51992 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 . GLU 1 1 51992 1 . VAL 2 2 51992 1 . ARG 3 3 51992 1 . THR 4 4 51992 1 . ILE 5 5 51992 1 . LYS 6 6 51992 1 . VAL 7 7 51992 1 . PHE 8 8 51992 1 . THR 9 9 51992 1 . THR 10 10 51992 1 . VAL 11 11 51992 1 . ASP 12 12 51992 1 . ASN 13 13 51992 1 . ILE 14 14 51992 1 . ASN 15 15 51992 1 . LEU 16 16 51992 1 . HIS 17 17 51992 1 . THR 18 18 51992 1 . GLN 19 19 51992 1 . VAL 20 20 51992 1 . VAL 21 21 51992 1 . ASP 22 22 51992 1 . MET 23 23 51992 1 . SER 24 24 51992 1 . MET 25 25 51992 1 . THR 26 26 51992 1 . TYR 27 27 51992 1 . GLY 28 28 51992 1 . GLN 29 29 51992 1 . GLN 30 30 51992 1 . PHE 31 31 51992 1 . GLY 32 32 51992 1 . PRO 33 33 51992 1 . THR 34 34 51992 1 . TYR 35 35 51992 1 . LEU 36 36 51992 1 . ASP 37 37 51992 1 . GLY 38 38 51992 1 . ALA 39 39 51992 1 . ASP 40 40 51992 1 . VAL 41 41 51992 1 . THR 42 42 51992 1 . LYS 43 43 51992 1 . ILE 44 44 51992 1 . LYS 45 45 51992 1 . PRO 46 46 51992 1 . HIS 47 47 51992 1 . ASN 48 48 51992 1 . SER 49 49 51992 1 . HIS 50 50 51992 1 . GLU 51 51 51992 1 . GLY 52 52 51992 1 . LYS 53 53 51992 1 . THR 54 54 51992 1 . PHE 55 55 51992 1 . TYR 56 56 51992 1 . VAL 57 57 51992 1 . LEU 58 58 51992 1 . PRO 59 59 51992 1 . ASN 60 60 51992 1 . ASP 61 61 51992 1 . ASP 62 62 51992 1 . THR 63 63 51992 1 . LEU 64 64 51992 1 . ARG 65 65 51992 1 . VAL 66 66 51992 1 . GLU 67 67 51992 1 . ALA 68 68 51992 1 . PHE 69 69 51992 1 . GLU 70 70 51992 1 . TYR 71 71 51992 1 . TYR 72 72 51992 1 . HIS 73 73 51992 1 . THR 74 74 51992 1 . THR 75 75 51992 1 . ASP 76 76 51992 1 . PRO 77 77 51992 1 . SER 78 78 51992 1 . PHE 79 79 51992 1 . LEU 80 80 51992 1 . GLY 81 81 51992 1 . ARG 82 82 51992 1 . TYR 83 83 51992 1 . MET 84 84 51992 1 . SER 85 85 51992 1 . ALA 86 86 51992 1 . LEU 87 87 51992 1 . ASN 88 88 51992 1 . HIS 89 89 51992 1 . THR 90 90 51992 1 . LYS 91 91 51992 1 . LYS 92 92 51992 1 . TRP 93 93 51992 1 . LYS 94 94 51992 1 . TYR 95 95 51992 1 . PRO 96 96 51992 1 . GLN 97 97 51992 1 . VAL 98 98 51992 1 . ASN 99 99 51992 1 . GLY 100 100 51992 1 . LEU 101 101 51992 1 . THR 102 102 51992 1 . SER 103 103 51992 1 . ILE 104 104 51992 1 . LYS 105 105 51992 1 . TRP 106 106 51992 1 . ALA 107 107 51992 1 . ASP 108 108 51992 1 . ASN 109 109 51992 1 . ASN 110 110 51992 1 . SER 111 111 51992 1 . TYR 112 112 51992 1 . LEU 113 113 51992 1 . ALA 114 114 51992 1 . THR 115 115 51992 1 . ALA 116 116 51992 1 . LEU 117 117 51992 1 . LEU 118 118 51992 1 . THR 119 119 51992 1 . LEU 120 120 51992 1 . GLN 121 121 51992 1 . GLN 122 122 51992 1 . ILE 123 123 51992 1 . GLU 124 124 51992 1 . LEU 125 125 51992 1 . LYS 126 126 51992 1 . PHE 127 127 51992 1 . ASN 128 128 51992 1 . PRO 129 129 51992 1 . PRO 130 130 51992 1 . ALA 131 131 51992 1 . LEU 132 132 51992 1 . GLN 133 133 51992 1 . ASP 134 134 51992 1 . ALA 135 135 51992 1 . TYR 136 136 51992 1 . TYR 137 137 51992 1 . ARG 138 138 51992 1 . ALA 139 139 51992 1 . ARG 140 140 51992 1 . ALA 141 141 51992 1 . GLY 142 142 51992 1 . GLU 143 143 51992 1 . ALA 144 144 51992 1 . ALA 145 145 51992 1 . ASN 146 146 51992 1 . PHE 147 147 51992 1 . CYS 148 148 51992 1 . ALA 149 149 51992 1 . LEU 150 150 51992 1 . ILE 151 151 51992 1 . LEU 152 152 51992 1 . ALA 153 153 51992 1 . TYR 154 154 51992 1 . CYS 155 155 51992 1 . ASN 156 156 51992 1 . LYS 157 157 51992 1 . THR 158 158 51992 1 . VAL 159 159 51992 1 . GLY 160 160 51992 1 . GLU 161 161 51992 1 . LEU 162 162 51992 1 . GLY 163 163 51992 1 . ASP 164 164 51992 1 . VAL 165 165 51992 1 . ARG 166 166 51992 1 . GLU 167 167 51992 1 . THR 168 168 51992 1 . MET 169 169 51992 1 . SER 170 170 51992 1 . TYR 171 171 51992 1 . LEU 172 172 51992 1 . PHE 173 173 51992 1 . GLN 174 174 51992 1 . HIS 175 175 51992 1 . ALA 176 176 51992 1 . ASN 177 177 51992 1 . LEU 178 178 51992 1 . ASP 179 179 51992 1 . SER 180 180 51992 1 . CYS 181 181 51992 1 . LYS 182 182 51992 1 . ARG 183 183 51992 1 . VAL 184 184 51992 1 . LEU 185 185 51992 1 . ASN 186 186 51992 1 . VAL 187 187 51992 1 . VAL 188 188 51992 1 . CYS 189 189 51992 1 . LYS 190 190 51992 1 . THR 191 191 51992 1 . CYS 192 192 51992 1 . GLY 193 193 51992 1 . GLN 194 194 51992 1 . GLN 195 195 51992 1 . GLN 196 196 51992 1 . THR 197 197 51992 1 . THR 198 198 51992 1 . LEU 199 199 51992 1 . LYS 200 200 51992 1 . GLY 201 201 51992 1 . VAL 202 202 51992 1 . GLU 203 203 51992 1 . ALA 204 204 51992 1 . VAL 205 205 51992 1 . MET 206 206 51992 1 . TYR 207 207 51992 1 . MET 208 208 51992 1 . GLY 209 209 51992 1 . THR 210 210 51992 1 . LEU 211 211 51992 1 . SER 212 212 51992 1 . TYR 213 213 51992 1 . GLU 214 214 51992 1 . GLN 215 215 51992 1 . PHE 216 216 51992 1 . LYS 217 217 51992 1 . LYS 218 218 51992 1 . GLY 219 219 51992 1 . VAL 220 220 51992 1 . GLN 221 221 51992 1 . ILE 222 222 51992 1 . PRO 223 223 51992 1 . CYS 224 224 51992 1 . THR 225 225 51992 1 . CYS 226 226 51992 1 . GLY 227 227 51992 1 . LYS 228 228 51992 1 . GLN 229 229 51992 1 . ALA 230 230 51992 1 . THR 231 231 51992 1 . LYS 232 232 51992 1 . TYR 233 233 51992 1 . LEU 234 234 51992 1 . VAL 235 235 51992 1 . GLN 236 236 51992 1 . GLN 237 237 51992 1 . GLU 238 238 51992 1 . SER 239 239 51992 1 . PRO 240 240 51992 1 . PHE 241 241 51992 1 . VAL 242 242 51992 1 . MET 243 243 51992 1 . MET 244 244 51992 1 . SER 245 245 51992 1 . ALA 246 246 51992 1 . PRO 247 247 51992 1 . PRO 248 248 51992 1 . ALA 249 249 51992 1 . GLN 250 250 51992 1 . TYR 251 251 51992 1 . GLU 252 252 51992 1 . LEU 253 253 51992 1 . LYS 254 254 51992 1 . HIS 255 255 51992 1 . GLY 256 256 51992 1 . THR 257 257 51992 1 . PHE 258 258 51992 1 . THR 259 259 51992 1 . CYS 260 260 51992 1 . ALA 261 261 51992 1 . SER 262 262 51992 1 . GLU 263 263 51992 1 . TYR 264 264 51992 1 . THR 265 265 51992 1 . GLY 266 266 51992 1 . ASN 267 267 51992 1 . TYR 268 268 51992 1 . GLN 269 269 51992 1 . CYS 270 270 51992 1 . GLY 271 271 51992 1 . HIS 272 272 51992 1 . TYR 273 273 51992 1 . LYS 274 274 51992 1 . HIS 275 275 51992 1 . ILE 276 276 51992 1 . THR 277 277 51992 1 . SER 278 278 51992 1 . LYS 279 279 51992 1 . GLU 280 280 51992 1 . THR 281 281 51992 1 . LEU 282 282 51992 1 . TYR 283 283 51992 1 . CYS 284 284 51992 1 . ILE 285 285 51992 1 . ASP 286 286 51992 1 . GLY 287 287 51992 1 . ALA 288 288 51992 1 . LEU 289 289 51992 1 . LEU 290 290 51992 1 . THR 291 291 51992 1 . LYS 292 292 51992 1 . SER 293 293 51992 1 . SER 294 294 51992 1 . GLU 295 295 51992 1 . TYR 296 296 51992 1 . LYS 297 297 51992 1 . GLY 298 298 51992 1 . PRO 299 299 51992 1 . ILE 300 300 51992 1 . THR 301 301 51992 1 . ASP 302 302 51992 1 . VAL 303 303 51992 1 . PHE 304 304 51992 1 . TYR 305 305 51992 1 . LYS 306 306 51992 1 . GLU 307 307 51992 1 . ASN 308 308 51992 1 . SER 309 309 51992 1 . TYR 310 310 51992 1 . THR 311 311 51992 1 . THR 312 312 51992 1 . THR 313 313 51992 1 . ILE 314 314 51992 1 . LYS 315 315 51992 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51992 _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 $entity_1 . 2697049 organism . 'SARS coronavirus 2' SARS-CoV-2 . . Viruses . Betacoronavirus HCoV-SARS SARS-CoV-2 . . . . . . . . . . . . 51992 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51992 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET11a . . . 51992 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51992 _Sample.ID 1 _Sample.Name '[u-2H,13C,15N] PLproC111S' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 'papain-like protease from Severe Acute Respiratory Syndrome Coronavirus 2, C111S mutant' '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 0.4 . . mM . . . . 51992 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51992 1 3 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 51992 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 51992 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'condition 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 pH 6.8 . pH 51992 1 temperature 298 . K 51992 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51992 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51992 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51992 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51992 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51992 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AVANCE III 900 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCEIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51992 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51992 1 2 '3D HNCACB' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51992 1 3 '3D HN(CO)CACB' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51992 1 4 '3D HNCA' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51992 1 5 '3D HN(CO)CA' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51992 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51992 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'chemical shift reference set 1' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect 0.251449530 . . . . . 51992 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 51992 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 51992 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51992 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Assigned chemical shift list name 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 $chem_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 . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 51992 1 2 '3D HNCACB' . . . 51992 1 3 '3D HN(CO)CACB' . . . 51992 1 4 '3D HNCA' . . . 51992 1 5 '3D HN(CO)CA' . . . 51992 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 $software_2 . . 51992 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 1 1 GLU CA C 13 55.786 0.013 . 1 . . . . . 1 E CA . 51992 1 2 . 1 . 1 1 1 GLU CB C 13 29.792 0.009 . 1 . . . . . 1 E CB . 51992 1 3 . 1 . 1 2 2 VAL H H 1 8.360 0.002 . 1 . . . . . 2 V H . 51992 1 4 . 1 . 1 2 2 VAL CA C 13 61.925 0.014 . 1 . . . . . 2 V CA . 51992 1 5 . 1 . 1 2 2 VAL CB C 13 31.797 0.000 . 1 . . . . . 2 V CB . 51992 1 6 . 1 . 1 2 2 VAL N N 15 123.596 0.011 . 1 . . . . . 2 V N . 51992 1 7 . 1 . 1 3 3 ARG H H 1 8.732 0.003 . 1 . . . . . 3 R H . 51992 1 8 . 1 . 1 3 3 ARG CA C 13 55.302 0.030 . 1 . . . . . 3 R CA . 51992 1 9 . 1 . 1 3 3 ARG CB C 13 30.757 0.013 . 1 . . . . . 3 R CB . 51992 1 10 . 1 . 1 3 3 ARG N N 15 127.469 0.008 . 1 . . . . . 3 R N . 51992 1 11 . 1 . 1 4 4 THR H H 1 7.889 0.003 . 1 . . . . . 4 T H . 51992 1 12 . 1 . 1 4 4 THR CA C 13 58.725 0.013 . 1 . . . . . 4 T CA . 51992 1 13 . 1 . 1 4 4 THR CB C 13 72.447 0.017 . 1 . . . . . 4 T CB . 51992 1 14 . 1 . 1 4 4 THR N N 15 112.668 0.004 . 1 . . . . . 4 T N . 51992 1 15 . 1 . 1 5 5 ILE H H 1 8.065 0.004 . 1 . . . . . 5 I H . 51992 1 16 . 1 . 1 5 5 ILE CA C 13 59.062 1.593 . 1 . . . . . 5 I CA . 51992 1 17 . 1 . 1 5 5 ILE CB C 13 42.785 0.037 . 1 . . . . . 5 I CB . 51992 1 18 . 1 . 1 5 5 ILE N N 15 112.701 0.022 . 1 . . . . . 5 I N . 51992 1 19 . 1 . 1 6 6 LYS H H 1 8.496 0.003 . 1 . . . . . 6 K H . 51992 1 20 . 1 . 1 6 6 LYS CB C 13 32.703 0.000 . 1 . . . . . 6 K CB . 51992 1 21 . 1 . 1 6 6 LYS N N 15 122.160 0.055 . 1 . . . . . 6 K N . 51992 1 22 . 1 . 1 7 7 VAL H H 1 8.610 0.002 . 1 . . . . . 7 V H . 51992 1 23 . 1 . 1 7 7 VAL CA C 13 58.288 0.002 . 1 . . . . . 7 V CA . 51992 1 24 . 1 . 1 7 7 VAL N N 15 116.411 0.002 . 1 . . . . . 7 V N . 51992 1 25 . 1 . 1 8 8 PHE H H 1 8.887 0.002 . 1 . . . . . 8 F H . 51992 1 26 . 1 . 1 8 8 PHE CA C 13 55.707 0.000 . 1 . . . . . 8 F CA . 51992 1 27 . 1 . 1 8 8 PHE N N 15 116.874 0.008 . 1 . . . . . 8 F N . 51992 1 28 . 1 . 1 23 23 MET CA C 13 57.393 0.009 . 1 . . . . . 23 M CA . 51992 1 29 . 1 . 1 24 24 SER H H 1 9.302 0.004 . 1 . . . . . 24 S H . 51992 1 30 . 1 . 1 24 24 SER CA C 13 58.952 0.042 . 1 . . . . . 24 S CA . 51992 1 31 . 1 . 1 24 24 SER CB C 13 63.937 0.002 . 1 . . . . . 24 S CB . 51992 1 32 . 1 . 1 24 24 SER N N 15 114.205 0.016 . 1 . . . . . 24 S N . 51992 1 33 . 1 . 1 25 25 MET H H 1 7.110 0.003 . 1 . . . . . 25 M H . 51992 1 34 . 1 . 1 25 25 MET CA C 13 53.503 0.040 . 1 . . . . . 25 M CA . 51992 1 35 . 1 . 1 25 25 MET CB C 13 36.357 0.029 . 1 . . . . . 25 M CB . 51992 1 36 . 1 . 1 25 25 MET N N 15 122.201 0.008 . 1 . . . . . 25 M N . 51992 1 37 . 1 . 1 26 26 THR H H 1 8.288 0.003 . 1 . . . . . 26 T H . 51992 1 38 . 1 . 1 26 26 THR CA C 13 60.868 0.027 . 1 . . . . . 26 T CA . 51992 1 39 . 1 . 1 26 26 THR CB C 13 70.435 0.007 . 1 . . . . . 26 T CB . 51992 1 40 . 1 . 1 26 26 THR N N 15 108.188 0.012 . 1 . . . . . 26 T N . 51992 1 41 . 1 . 1 27 27 TYR H H 1 8.340 0.003 . 1 . . . . . 27 Y H . 51992 1 42 . 1 . 1 27 27 TYR CA C 13 64.491 0.023 . 1 . . . . . 27 Y CA . 51992 1 43 . 1 . 1 27 27 TYR CB C 13 35.548 0.000 . 1 . . . . . 27 Y CB . 51992 1 44 . 1 . 1 27 27 TYR N N 15 119.808 0.036 . 1 . . . . . 27 Y N . 51992 1 45 . 1 . 1 28 28 GLY H H 1 9.325 0.003 . 1 . . . . . 28 G H . 51992 1 46 . 1 . 1 28 28 GLY CA C 13 46.869 0.018 . 1 . . . . . 28 G CA . 51992 1 47 . 1 . 1 28 28 GLY N N 15 108.100 0.019 . 1 . . . . . 28 G N . 51992 1 48 . 1 . 1 29 29 GLN H H 1 7.668 0.004 . 1 . . . . . 29 Q H . 51992 1 49 . 1 . 1 29 29 GLN CA C 13 57.607 0.024 . 1 . . . . . 29 Q CA . 51992 1 50 . 1 . 1 29 29 GLN CB C 13 29.317 0.000 . 1 . . . . . 29 Q CB . 51992 1 51 . 1 . 1 29 29 GLN N N 15 119.413 0.031 . 1 . . . . . 29 Q N . 51992 1 52 . 1 . 1 30 30 GLN H H 1 7.267 0.000 . 1 . . . . . 30 Q H . 51992 1 53 . 1 . 1 30 30 GLN CA C 13 57.021 0.021 . 1 . . . . . 30 Q CA . 51992 1 54 . 1 . 1 30 30 GLN N N 15 115.917 0.008 . 1 . . . . . 30 Q N . 51992 1 55 . 1 . 1 31 31 PHE H H 1 8.832 0.003 . 1 . . . . . 31 F H . 51992 1 56 . 1 . 1 31 31 PHE CA C 13 55.001 0.000 . 1 . . . . . 31 F CA . 51992 1 57 . 1 . 1 31 31 PHE N N 15 117.007 0.020 . 1 . . . . . 31 F N . 51992 1 58 . 1 . 1 43 43 LYS H H 1 8.377 0.004 . 1 . . . . . 43 K H . 51992 1 59 . 1 . 1 43 43 LYS CA C 13 55.483 0.030 . 1 . . . . . 43 K CA . 51992 1 60 . 1 . 1 43 43 LYS CB C 13 31.032 0.010 . 1 . . . . . 43 K CB . 51992 1 61 . 1 . 1 43 43 LYS N N 15 115.414 0.050 . 1 . . . . . 43 K N . 51992 1 62 . 1 . 1 44 44 ILE H H 1 7.692 0.003 . 1 . . . . . 44 I H . 51992 1 63 . 1 . 1 44 44 ILE CA C 13 58.872 0.025 . 1 . . . . . 44 I CA . 51992 1 64 . 1 . 1 44 44 ILE CB C 13 38.823 0.016 . 1 . . . . . 44 I CB . 51992 1 65 . 1 . 1 44 44 ILE N N 15 118.626 0.018 . 1 . . . . . 44 I N . 51992 1 66 . 1 . 1 45 45 LYS H H 1 8.089 0.006 . 1 . . . . . 45 K H . 51992 1 67 . 1 . 1 45 45 LYS CA C 13 53.605 0.044 . 1 . . . . . 45 K CA . 51992 1 68 . 1 . 1 45 45 LYS N N 15 121.057 0.019 . 1 . . . . . 45 K N . 51992 1 69 . 1 . 1 46 46 PRO CA C 13 62.763 0.039 . 1 . . . . . 46 P CA . 51992 1 70 . 1 . 1 46 46 PRO CB C 13 31.756 0.000 . 1 . . . . . 46 P CB . 51992 1 71 . 1 . 1 47 47 HIS H H 1 7.234 0.003 . 1 . . . . . 47 H H . 51992 1 72 . 1 . 1 47 47 HIS CA C 13 54.547 0.022 . 1 . . . . . 47 H CA . 51992 1 73 . 1 . 1 47 47 HIS CB C 13 32.821 0.000 . 1 . . . . . 47 H CB . 51992 1 74 . 1 . 1 47 47 HIS N N 15 123.335 0.015 . 1 . . . . . 47 H N . 51992 1 75 . 1 . 1 49 49 SER CA C 13 60.288 0.047 . 1 . . . . . 49 S CA . 51992 1 76 . 1 . 1 49 49 SER CB C 13 62.423 0.000 . 1 . . . . . 49 S CB . 51992 1 77 . 1 . 1 50 50 HIS H H 1 8.321 0.003 . 1 . . . . . 50 H H . 51992 1 78 . 1 . 1 50 50 HIS CA C 13 54.286 0.034 . 1 . . . . . 50 H CA . 51992 1 79 . 1 . 1 50 50 HIS CB C 13 31.718 0.053 . 1 . . . . . 50 H CB . 51992 1 80 . 1 . 1 50 50 HIS N N 15 121.798 0.028 . 1 . . . . . 50 H N . 51992 1 81 . 1 . 1 51 51 GLU H H 1 7.334 0.004 . 1 . . . . . 51 E H . 51992 1 82 . 1 . 1 51 51 GLU CA C 13 58.047 0.031 . 1 . . . . . 51 E CA . 51992 1 83 . 1 . 1 51 51 GLU CB C 13 28.421 0.000 . 1 . . . . . 51 E CB . 51992 1 84 . 1 . 1 51 51 GLU N N 15 119.503 0.013 . 1 . . . . . 51 E N . 51992 1 85 . 1 . 1 52 52 GLY H H 1 9.574 0.000 . 1 . . . . . 52 G H . 51992 1 86 . 1 . 1 52 52 GLY CA C 13 45.041 0.023 . 1 . . . . . 52 G CA . 51992 1 87 . 1 . 1 52 52 GLY N N 15 114.806 0.013 . 1 . . . . . 52 G N . 51992 1 88 . 1 . 1 53 53 LYS H H 1 8.320 0.000 . 1 . . . . . 53 K H . 51992 1 89 . 1 . 1 53 53 LYS CA C 13 55.876 0.024 . 1 . . . . . 53 K CA . 51992 1 90 . 1 . 1 53 53 LYS N N 15 120.971 0.021 . 1 . . . . . 53 K N . 51992 1 91 . 1 . 1 54 54 THR H H 1 7.787 0.003 . 1 . . . . . 54 T H . 51992 1 92 . 1 . 1 54 54 THR CA C 13 61.775 0.021 . 1 . . . . . 54 T CA . 51992 1 93 . 1 . 1 54 54 THR CB C 13 69.246 0.035 . 1 . . . . . 54 T CB . 51992 1 94 . 1 . 1 54 54 THR N N 15 115.425 0.015 . 1 . . . . . 54 T N . 51992 1 95 . 1 . 1 55 55 PHE H H 1 9.440 0.004 . 1 . . . . . 55 F H . 51992 1 96 . 1 . 1 55 55 PHE CA C 13 56.390 0.033 . 1 . . . . . 55 F CA . 51992 1 97 . 1 . 1 55 55 PHE CB C 13 40.299 0.000 . 1 . . . . . 55 F CB . 51992 1 98 . 1 . 1 55 55 PHE N N 15 128.080 0.017 . 1 . . . . . 55 F N . 51992 1 99 . 1 . 1 96 96 PRO CA C 13 61.895 0.015 . 1 . . . . . 96 P CA . 51992 1 100 . 1 . 1 96 96 PRO CB C 13 31.063 0.013 . 1 . . . . . 96 P CB . 51992 1 101 . 1 . 1 97 97 GLN H H 1 8.269 0.003 . 1 . . . . . 97 Q H . 51992 1 102 . 1 . 1 97 97 GLN CA C 13 54.098 0.032 . 1 . . . . . 97 Q CA . 51992 1 103 . 1 . 1 97 97 GLN CB C 13 29.277 0.060 . 1 . . . . . 97 Q CB . 51992 1 104 . 1 . 1 97 97 GLN N N 15 119.307 0.016 . 1 . . . . . 97 Q N . 51992 1 105 . 1 . 1 98 98 VAL H H 1 9.426 0.004 . 1 . . . . . 98 V H . 51992 1 106 . 1 . 1 98 98 VAL CA C 13 60.286 0.009 . 1 . . . . . 98 V CA . 51992 1 107 . 1 . 1 98 98 VAL CB C 13 32.665 0.068 . 1 . . . . . 98 V CB . 51992 1 108 . 1 . 1 98 98 VAL N N 15 126.463 0.015 . 1 . . . . . 98 V N . 51992 1 109 . 1 . 1 99 99 ASN H H 1 9.127 0.004 . 1 . . . . . 99 N H . 51992 1 110 . 1 . 1 99 99 ASN CA C 13 53.518 0.050 . 1 . . . . . 99 N CA . 51992 1 111 . 1 . 1 99 99 ASN CB C 13 37.864 0.001 . 1 . . . . . 99 N CB . 51992 1 112 . 1 . 1 99 99 ASN N N 15 125.718 0.017 . 1 . . . . . 99 N N . 51992 1 113 . 1 . 1 100 100 GLY H H 1 8.332 0.003 . 1 . . . . . 100 G H . 51992 1 114 . 1 . 1 100 100 GLY CA C 13 44.815 0.026 . 1 . . . . . 100 G CA . 51992 1 115 . 1 . 1 100 100 GLY N N 15 102.594 0.026 . 1 . . . . . 100 G N . 51992 1 116 . 1 . 1 101 101 LEU H H 1 7.551 0.003 . 1 . . . . . 101 L H . 51992 1 117 . 1 . 1 101 101 LEU CA C 13 52.756 0.047 . 1 . . . . . 101 L CA . 51992 1 118 . 1 . 1 101 101 LEU CB C 13 43.814 0.000 . 1 . . . . . 101 L CB . 51992 1 119 . 1 . 1 101 101 LEU N N 15 121.569 0.021 . 1 . . . . . 101 L N . 51992 1 120 . 1 . 1 102 102 THR H H 1 9.342 0.005 . 1 . . . . . 102 T H . 51992 1 121 . 1 . 1 102 102 THR CA C 13 63.953 0.012 . 1 . . . . . 102 T CA . 51992 1 122 . 1 . 1 102 102 THR CB C 13 68.614 0.023 . 1 . . . . . 102 T CB . 51992 1 123 . 1 . 1 102 102 THR N N 15 120.423 0.027 . 1 . . . . . 102 T N . 51992 1 124 . 1 . 1 103 103 SER H H 1 8.458 0.003 . 1 . . . . . 103 S H . 51992 1 125 . 1 . 1 103 103 SER CA C 13 52.228 0.013 . 1 . . . . . 103 S CA . 51992 1 126 . 1 . 1 103 103 SER CB C 13 64.695 0.000 . 1 . . . . . 103 S CB . 51992 1 127 . 1 . 1 103 103 SER N N 15 122.461 0.017 . 1 . . . . . 103 S N . 51992 1 128 . 1 . 1 104 104 ILE CA C 13 59.734 0.010 . 1 . . . . . 104 I CA . 51992 1 129 . 1 . 1 104 104 ILE CB C 13 41.602 0.000 . 1 . . . . . 104 I CB . 51992 1 130 . 1 . 1 105 105 LYS H H 1 8.376 0.003 . 1 . . . . . 105 K H . 51992 1 131 . 1 . 1 105 105 LYS CA C 13 56.730 0.063 . 1 . . . . . 105 K CA . 51992 1 132 . 1 . 1 105 105 LYS CB C 13 31.904 0.034 . 1 . . . . . 105 K CB . 51992 1 133 . 1 . 1 105 105 LYS N N 15 129.501 0.070 . 1 . . . . . 105 K N . 51992 1 134 . 1 . 1 106 106 TRP H H 1 8.806 0.003 . 1 . . . . . 106 W H . 51992 1 135 . 1 . 1 106 106 TRP CA C 13 60.576 0.023 . 1 . . . . . 106 W CA . 51992 1 136 . 1 . 1 106 106 TRP CB C 13 27.709 0.029 . 1 . . . . . 106 W CB . 51992 1 137 . 1 . 1 106 106 TRP N N 15 129.353 0.024 . 1 . . . . . 106 W N . 51992 1 138 . 1 . 1 107 107 ALA H H 1 6.355 0.003 . 1 . . . . . 107 A H . 51992 1 139 . 1 . 1 107 107 ALA CA C 13 51.563 0.044 . 1 . . . . . 107 A CA . 51992 1 140 . 1 . 1 107 107 ALA CB C 13 20.096 0.006 . 1 . . . . . 107 A CB . 51992 1 141 . 1 . 1 107 107 ALA N N 15 126.471 0.033 . 1 . . . . . 107 A N . 51992 1 142 . 1 . 1 108 108 ASP H H 1 8.406 0.005 . 1 . . . . . 108 D H . 51992 1 143 . 1 . 1 108 108 ASP CA C 13 55.300 0.020 . 1 . . . . . 108 D CA . 51992 1 144 . 1 . 1 108 108 ASP CB C 13 40.240 0.000 . 1 . . . . . 108 D CB . 51992 1 145 . 1 . 1 108 108 ASP N N 15 115.700 0.018 . 1 . . . . . 108 D N . 51992 1 146 . 1 . 1 113 113 LEU CA C 13 55.706 0.000 . 1 . . . . . 113 L CA . 51992 1 147 . 1 . 1 114 114 ALA H H 1 7.655 0.003 . 1 . . . . . 114 A H . 51992 1 148 . 1 . 1 114 114 ALA CA C 13 55.557 0.015 . 1 . . . . . 114 A CA . 51992 1 149 . 1 . 1 114 114 ALA CB C 13 17.189 0.021 . 1 . . . . . 114 A CB . 51992 1 150 . 1 . 1 114 114 ALA N N 15 123.053 0.028 . 1 . . . . . 114 A N . 51992 1 151 . 1 . 1 115 115 THR H H 1 7.661 0.003 . 1 . . . . . 115 T H . 51992 1 152 . 1 . 1 115 115 THR CA C 13 65.426 0.025 . 1 . . . . . 115 T CA . 51992 1 153 . 1 . 1 115 115 THR CB C 13 67.595 0.011 . 1 . . . . . 115 T CB . 51992 1 154 . 1 . 1 115 115 THR N N 15 110.004 0.029 . 1 . . . . . 115 T N . 51992 1 155 . 1 . 1 116 116 ALA H H 1 8.023 0.005 . 1 . . . . . 116 A H . 51992 1 156 . 1 . 1 116 116 ALA CA C 13 55.627 0.029 . 1 . . . . . 116 A CA . 51992 1 157 . 1 . 1 116 116 ALA CB C 13 16.298 0.000 . 1 . . . . . 116 A CB . 51992 1 158 . 1 . 1 116 116 ALA N N 15 128.900 0.031 . 1 . . . . . 116 A N . 51992 1 159 . 1 . 1 117 117 LEU H H 1 8.849 0.001 . 1 . . . . . 117 L H . 51992 1 160 . 1 . 1 117 117 LEU CA C 13 58.361 0.072 . 1 . . . . . 117 L CA . 51992 1 161 . 1 . 1 117 117 LEU N N 15 120.577 0.005 . 1 . . . . . 117 L N . 51992 1 162 . 1 . 1 118 118 LEU H H 1 8.508 0.002 . 1 . . . . . 118 L H . 51992 1 163 . 1 . 1 118 118 LEU CA C 13 54.969 0.000 . 1 . . . . . 118 L CA . 51992 1 164 . 1 . 1 118 118 LEU N N 15 122.332 0.016 . 1 . . . . . 118 L N . 51992 1 165 . 1 . 1 140 140 ARG H H 1 8.012 0.000 . 1 . . . . . 140 R H . 51992 1 166 . 1 . 1 140 140 ARG CA C 13 58.076 0.086 . 1 . . . . . 140 R CA . 51992 1 167 . 1 . 1 140 140 ARG N N 15 122.824 0.000 . 1 . . . . . 140 R N . 51992 1 168 . 1 . 1 141 141 ALA H H 1 6.881 0.006 . 1 . . . . . 141 A H . 51992 1 169 . 1 . 1 141 141 ALA CA C 13 51.366 0.048 . 1 . . . . . 141 A CA . 51992 1 170 . 1 . 1 141 141 ALA CB C 13 17.956 0.059 . 1 . . . . . 141 A CB . 51992 1 171 . 1 . 1 141 141 ALA N N 15 119.351 0.024 . 1 . . . . . 141 A N . 51992 1 172 . 1 . 1 142 142 GLY H H 1 7.351 0.003 . 1 . . . . . 142 G H . 51992 1 173 . 1 . 1 142 142 GLY CA C 13 44.442 0.010 . 1 . . . . . 142 G CA . 51992 1 174 . 1 . 1 142 142 GLY N N 15 105.490 0.065 . 1 . . . . . 142 G N . 51992 1 175 . 1 . 1 143 143 GLU H H 1 7.733 0.004 . 1 . . . . . 143 E H . 51992 1 176 . 1 . 1 143 143 GLU CA C 13 53.934 0.035 . 1 . . . . . 143 E CA . 51992 1 177 . 1 . 1 143 143 GLU CB C 13 27.985 0.000 . 1 . . . . . 143 E CB . 51992 1 178 . 1 . 1 143 143 GLU N N 15 124.250 0.020 . 1 . . . . . 143 E N . 51992 1 179 . 1 . 1 144 144 ALA H H 1 5.836 0.010 . 1 . . . . . 144 A H . 51992 1 180 . 1 . 1 144 144 ALA CA C 13 51.363 0.009 . 1 . . . . . 144 A CA . 51992 1 181 . 1 . 1 144 144 ALA CB C 13 19.273 0.000 . 1 . . . . . 144 A CB . 51992 1 182 . 1 . 1 144 144 ALA N N 15 120.917 0.028 . 1 . . . . . 144 A N . 51992 1 183 . 1 . 1 145 145 ALA H H 1 8.335 0.004 . 1 . . . . . 145 A H . 51992 1 184 . 1 . 1 145 145 ALA CA C 13 56.062 0.012 . 1 . . . . . 145 A CA . 51992 1 185 . 1 . 1 145 145 ALA CB C 13 17.455 0.000 . 1 . . . . . 145 A CB . 51992 1 186 . 1 . 1 145 145 ALA N N 15 125.040 0.044 . 1 . . . . . 145 A N . 51992 1 187 . 1 . 1 157 157 LYS CA C 13 53.482 0.000 . 1 . . . . . 157 K CA . 51992 1 188 . 1 . 1 157 157 LYS CB C 13 36.339 0.000 . 1 . . . . . 157 K CB . 51992 1 189 . 1 . 1 158 158 THR H H 1 9.031 0.000 . 1 . . . . . 158 T H . 51992 1 190 . 1 . 1 158 158 THR CA C 13 60.880 0.000 . 1 . . . . . 158 T CA . 51992 1 191 . 1 . 1 158 158 THR CB C 13 70.425 0.000 . 1 . . . . . 158 T CB . 51992 1 192 . 1 . 1 158 158 THR N N 15 117.010 0.000 . 1 . . . . . 158 T N . 51992 1 193 . 1 . 1 159 159 VAL H H 1 8.340 0.002 . 1 . . . . . 159 V H . 51992 1 194 . 1 . 1 159 159 VAL CA C 13 64.511 0.000 . 1 . . . . . 159 V CA . 51992 1 195 . 1 . 1 159 159 VAL CB C 13 35.548 0.000 . 1 . . . . . 159 V CB . 51992 1 196 . 1 . 1 159 159 VAL N N 15 119.730 0.013 . 1 . . . . . 159 V N . 51992 1 197 . 1 . 1 160 160 GLY H H 1 8.044 0.000 . 1 . . . . . 160 G H . 51992 1 198 . 1 . 1 160 160 GLY CA C 13 46.852 0.000 . 1 . . . . . 160 G CA . 51992 1 199 . 1 . 1 160 160 GLY N N 15 107.689 0.000 . 1 . . . . . 160 G N . 51992 1 200 . 1 . 1 161 161 GLU H H 1 8.587 0.000 . 1 . . . . . 161 E H . 51992 1 201 . 1 . 1 161 161 GLU N N 15 121.483 0.000 . 1 . . . . . 161 E N . 51992 1 202 . 1 . 1 163 163 GLY H H 1 6.450 0.000 . 1 . . . . . 163 G H . 51992 1 203 . 1 . 1 163 163 GLY N N 15 110.430 0.000 . 1 . . . . . 163 G N . 51992 1 204 . 1 . 1 164 164 ASP H H 1 8.253 0.000 . 1 . . . . . 164 D H . 51992 1 205 . 1 . 1 164 164 ASP N N 15 119.574 0.000 . 1 . . . . . 164 D N . 51992 1 206 . 1 . 1 170 170 SER CB C 13 68.160 0.000 . 1 . . . . . 170 S CB . 51992 1 207 . 1 . 1 171 171 TYR H H 1 8.504 0.006 . 1 . . . . . 171 Y H . 51992 1 208 . 1 . 1 171 171 TYR CA C 13 55.131 0.034 . 1 . . . . . 171 Y CA . 51992 1 209 . 1 . 1 171 171 TYR CB C 13 32.685 0.000 . 1 . . . . . 171 Y CB . 51992 1 210 . 1 . 1 171 171 TYR N N 15 122.324 0.041 . 1 . . . . . 171 Y N . 51992 1 211 . 1 . 1 175 175 HIS CA C 13 55.756 0.000 . 1 . . . . . 175 H CA . 51992 1 212 . 1 . 1 176 176 ALA H H 1 7.629 0.003 . 1 . . . . . 176 A H . 51992 1 213 . 1 . 1 176 176 ALA CA C 13 49.792 0.025 . 1 . . . . . 176 A CA . 51992 1 214 . 1 . 1 176 176 ALA CB C 13 20.895 0.004 . 1 . . . . . 176 A CB . 51992 1 215 . 1 . 1 176 176 ALA N N 15 123.866 0.012 . 1 . . . . . 176 A N . 51992 1 216 . 1 . 1 177 177 ASN H H 1 8.469 0.007 . 1 . . . . . 177 N H . 51992 1 217 . 1 . 1 177 177 ASN CA C 13 52.397 0.038 . 1 . . . . . 177 N CA . 51992 1 218 . 1 . 1 177 177 ASN CB C 13 36.118 0.000 . 1 . . . . . 177 N CB . 51992 1 219 . 1 . 1 177 177 ASN N N 15 117.483 0.025 . 1 . . . . . 177 N N . 51992 1 220 . 1 . 1 180 180 SER CA C 13 58.057 0.000 . 1 . . . . . 180 S CA . 51992 1 221 . 1 . 1 180 180 SER CB C 13 62.466 0.000 . 1 . . . . . 180 S CB . 51992 1 222 . 1 . 1 181 181 CYS H H 1 7.718 0.003 . 1 . . . . . 181 C H . 51992 1 223 . 1 . 1 181 181 CYS CA C 13 59.277 0.013 . 1 . . . . . 181 C CA . 51992 1 224 . 1 . 1 181 181 CYS CB C 13 27.526 0.009 . 1 . . . . . 181 C CB . 51992 1 225 . 1 . 1 181 181 CYS N N 15 121.681 0.016 . 1 . . . . . 181 C N . 51992 1 226 . 1 . 1 182 182 LYS H H 1 8.999 0.004 . 1 . . . . . 182 K H . 51992 1 227 . 1 . 1 182 182 LYS CA C 13 55.281 0.089 . 1 . . . . . 182 K CA . 51992 1 228 . 1 . 1 182 182 LYS CB C 13 36.026 0.073 . 1 . . . . . 182 K CB . 51992 1 229 . 1 . 1 182 182 LYS N N 15 124.683 0.024 . 1 . . . . . 182 K N . 51992 1 230 . 1 . 1 183 183 ARG H H 1 8.636 0.004 . 1 . . . . . 183 R H . 51992 1 231 . 1 . 1 183 183 ARG CA C 13 53.370 0.014 . 1 . . . . . 183 R CA . 51992 1 232 . 1 . 1 183 183 ARG CB C 13 34.697 0.012 . 1 . . . . . 183 R CB . 51992 1 233 . 1 . 1 183 183 ARG N N 15 126.522 0.029 . 1 . . . . . 183 R N . 51992 1 234 . 1 . 1 184 184 VAL H H 1 9.279 0.004 . 1 . . . . . 184 V H . 51992 1 235 . 1 . 1 184 184 VAL CA C 13 60.428 0.050 . 1 . . . . . 184 V CA . 51992 1 236 . 1 . 1 184 184 VAL CB C 13 33.050 0.008 . 1 . . . . . 184 V CB . 51992 1 237 . 1 . 1 184 184 VAL N N 15 127.475 0.046 . 1 . . . . . 184 V N . 51992 1 238 . 1 . 1 185 185 LEU H H 1 9.196 0.004 . 1 . . . . . 185 L H . 51992 1 239 . 1 . 1 185 185 LEU CA C 13 52.795 0.033 . 1 . . . . . 185 L CA . 51992 1 240 . 1 . 1 185 185 LEU CB C 13 44.946 0.000 . 1 . . . . . 185 L CB . 51992 1 241 . 1 . 1 185 185 LEU N N 15 127.513 0.015 . 1 . . . . . 185 L N . 51992 1 242 . 1 . 1 186 186 ASN CA C 13 50.613 0.043 . 1 . . . . . 186 N CA . 51992 1 243 . 1 . 1 186 186 ASN CB C 13 40.782 0.002 . 1 . . . . . 186 N CB . 51992 1 244 . 1 . 1 187 187 VAL H H 1 8.434 0.003 . 1 . . . . . 187 V H . 51992 1 245 . 1 . 1 187 187 VAL CA C 13 61.016 0.067 . 1 . . . . . 187 V CA . 51992 1 246 . 1 . 1 187 187 VAL CB C 13 32.784 0.028 . 1 . . . . . 187 V CB . 51992 1 247 . 1 . 1 187 187 VAL N N 15 123.492 0.016 . 1 . . . . . 187 V N . 51992 1 248 . 1 . 1 188 188 VAL H H 1 9.322 0.003 . 1 . . . . . 188 V H . 51992 1 249 . 1 . 1 188 188 VAL CA C 13 61.116 0.025 . 1 . . . . . 188 V CA . 51992 1 250 . 1 . 1 188 188 VAL CB C 13 33.444 0.103 . 1 . . . . . 188 V CB . 51992 1 251 . 1 . 1 188 188 VAL N N 15 126.197 0.008 . 1 . . . . . 188 V N . 51992 1 252 . 1 . 1 189 189 CYS H H 1 8.744 0.003 . 1 . . . . . 189 C H . 51992 1 253 . 1 . 1 189 189 CYS CA C 13 56.644 0.012 . 1 . . . . . 189 C CA . 51992 1 254 . 1 . 1 189 189 CYS CB C 13 32.112 0.000 . 1 . . . . . 189 C CB . 51992 1 255 . 1 . 1 189 189 CYS N N 15 132.282 0.019 . 1 . . . . . 189 C N . 51992 1 256 . 1 . 1 190 190 LYS H H 1 9.087 0.001 . 1 . . . . . 190 K H . 51992 1 257 . 1 . 1 190 190 LYS CA C 13 59.122 0.008 . 1 . . . . . 190 K CA . 51992 1 258 . 1 . 1 190 190 LYS CB C 13 31.831 0.000 . 1 . . . . . 190 K CB . 51992 1 259 . 1 . 1 190 190 LYS N N 15 130.878 0.005 . 1 . . . . . 190 K N . 51992 1 260 . 1 . 1 191 191 THR H H 1 9.044 0.004 . 1 . . . . . 191 T H . 51992 1 261 . 1 . 1 191 191 THR CA C 13 64.669 0.051 . 1 . . . . . 191 T CA . 51992 1 262 . 1 . 1 191 191 THR CB C 13 69.118 0.020 . 1 . . . . . 191 T CB . 51992 1 263 . 1 . 1 191 191 THR N N 15 117.074 0.014 . 1 . . . . . 191 T N . 51992 1 264 . 1 . 1 192 192 CYS H H 1 9.183 0.004 . 1 . . . . . 192 C H . 51992 1 265 . 1 . 1 192 192 CYS CA C 13 61.895 0.007 . 1 . . . . . 192 C CA . 51992 1 266 . 1 . 1 192 192 CYS CB C 13 28.942 0.038 . 1 . . . . . 192 C CB . 51992 1 267 . 1 . 1 192 192 CYS N N 15 124.199 0.032 . 1 . . . . . 192 C N . 51992 1 268 . 1 . 1 193 193 GLY H H 1 8.059 0.004 . 1 . . . . . 193 G H . 51992 1 269 . 1 . 1 193 193 GLY CA C 13 43.762 0.034 . 1 . . . . . 193 G CA . 51992 1 270 . 1 . 1 193 193 GLY N N 15 107.673 0.024 . 1 . . . . . 193 G N . 51992 1 271 . 1 . 1 194 194 GLN H H 1 8.600 0.003 . 1 . . . . . 194 Q H . 51992 1 272 . 1 . 1 194 194 GLN CA C 13 54.110 0.036 . 1 . . . . . 194 Q CA . 51992 1 273 . 1 . 1 194 194 GLN CB C 13 30.378 0.012 . 1 . . . . . 194 Q CB . 51992 1 274 . 1 . 1 194 194 GLN N N 15 121.442 0.004 . 1 . . . . . 194 Q N . 51992 1 275 . 1 . 1 195 195 GLN H H 1 8.703 0.004 . 1 . . . . . 195 Q H . 51992 1 276 . 1 . 1 195 195 GLN CA C 13 54.705 0.052 . 1 . . . . . 195 Q CA . 51992 1 277 . 1 . 1 195 195 GLN CB C 13 31.371 0.006 . 1 . . . . . 195 Q CB . 51992 1 278 . 1 . 1 195 195 GLN N N 15 123.558 0.021 . 1 . . . . . 195 Q N . 51992 1 279 . 1 . 1 196 196 GLN H H 1 8.878 0.003 . 1 . . . . . 196 Q H . 51992 1 280 . 1 . 1 196 196 GLN CA C 13 54.702 0.041 . 1 . . . . . 196 Q CA . 51992 1 281 . 1 . 1 196 196 GLN CB C 13 31.362 0.011 . 1 . . . . . 196 Q CB . 51992 1 282 . 1 . 1 196 196 GLN N N 15 127.658 0.008 . 1 . . . . . 196 Q N . 51992 1 283 . 1 . 1 197 197 THR H H 1 8.904 0.004 . 1 . . . . . 197 T H . 51992 1 284 . 1 . 1 197 197 THR CA C 13 61.243 0.019 . 1 . . . . . 197 T CA . 51992 1 285 . 1 . 1 197 197 THR CB C 13 71.754 0.007 . 1 . . . . . 197 T CB . 51992 1 286 . 1 . 1 197 197 THR N N 15 120.983 0.019 . 1 . . . . . 197 T N . 51992 1 287 . 1 . 1 198 198 THR H H 1 8.626 0.003 . 1 . . . . . 198 T H . 51992 1 288 . 1 . 1 198 198 THR CA C 13 61.784 0.092 . 1 . . . . . 198 T CA . 51992 1 289 . 1 . 1 198 198 THR CB C 13 69.433 0.019 . 1 . . . . . 198 T CB . 51992 1 290 . 1 . 1 198 198 THR N N 15 121.792 0.018 . 1 . . . . . 198 T N . 51992 1 291 . 1 . 1 199 199 LEU H H 1 9.804 0.003 . 1 . . . . . 199 L H . 51992 1 292 . 1 . 1 199 199 LEU CA C 13 52.951 0.012 . 1 . . . . . 199 L CA . 51992 1 293 . 1 . 1 199 199 LEU CB C 13 44.125 0.048 . 1 . . . . . 199 L CB . 51992 1 294 . 1 . 1 199 199 LEU N N 15 129.189 0.019 . 1 . . . . . 199 L N . 51992 1 295 . 1 . 1 200 200 LYS H H 1 8.634 0.005 . 1 . . . . . 200 K H . 51992 1 296 . 1 . 1 200 200 LYS CA C 13 53.703 0.044 . 1 . . . . . 200 K CA . 51992 1 297 . 1 . 1 200 200 LYS CB C 13 35.598 0.048 . 1 . . . . . 200 K CB . 51992 1 298 . 1 . 1 200 200 LYS N N 15 120.045 0.027 . 1 . . . . . 200 K N . 51992 1 299 . 1 . 1 201 201 GLY H H 1 7.929 0.004 . 1 . . . . . 201 G H . 51992 1 300 . 1 . 1 201 201 GLY CA C 13 45.614 0.036 . 1 . . . . . 201 G CA . 51992 1 301 . 1 . 1 201 201 GLY N N 15 108.542 0.018 . 1 . . . . . 201 G N . 51992 1 302 . 1 . 1 202 202 VAL H H 1 8.704 0.005 . 1 . . . . . 202 V H . 51992 1 303 . 1 . 1 202 202 VAL CA C 13 66.044 0.028 . 1 . . . . . 202 V CA . 51992 1 304 . 1 . 1 202 202 VAL CB C 13 30.827 0.000 . 1 . . . . . 202 V CB . 51992 1 305 . 1 . 1 202 202 VAL N N 15 125.164 0.016 . 1 . . . . . 202 V N . 51992 1 306 . 1 . 1 203 203 GLU H H 1 7.670 0.000 . 1 . . . . . 203 E H . 51992 1 307 . 1 . 1 203 203 GLU CA C 13 57.717 0.016 . 1 . . . . . 203 E CA . 51992 1 308 . 1 . 1 203 203 GLU CB C 13 29.321 0.000 . 1 . . . . . 203 E CB . 51992 1 309 . 1 . 1 203 203 GLU N N 15 119.390 0.000 . 1 . . . . . 203 E N . 51992 1 310 . 1 . 1 204 204 ALA H H 1 7.483 0.003 . 1 . . . . . 204 A H . 51992 1 311 . 1 . 1 204 204 ALA CA C 13 51.561 0.033 . 1 . . . . . 204 A CA . 51992 1 312 . 1 . 1 204 204 ALA CB C 13 18.273 0.000 . 1 . . . . . 204 A CB . 51992 1 313 . 1 . 1 204 204 ALA N N 15 115.978 0.031 . 1 . . . . . 204 A N . 51992 1 314 . 1 . 1 205 205 VAL H H 1 7.254 0.004 . 1 . . . . . 205 V H . 51992 1 315 . 1 . 1 205 205 VAL CA C 13 60.704 0.011 . 1 . . . . . 205 V CA . 51992 1 316 . 1 . 1 205 205 VAL CB C 13 32.148 0.035 . 1 . . . . . 205 V CB . 51992 1 317 . 1 . 1 205 205 VAL N N 15 106.385 0.037 . 1 . . . . . 205 V N . 51992 1 318 . 1 . 1 206 206 MET H H 1 7.141 0.003 . 1 . . . . . 206 M H . 51992 1 319 . 1 . 1 206 206 MET CA C 13 55.566 0.014 . 1 . . . . . 206 M CA . 51992 1 320 . 1 . 1 206 206 MET CB C 13 36.025 0.062 . 1 . . . . . 206 M CB . 51992 1 321 . 1 . 1 206 206 MET N N 15 120.013 0.022 . 1 . . . . . 206 M N . 51992 1 322 . 1 . 1 207 207 TYR H H 1 7.932 0.004 . 1 . . . . . 207 Y H . 51992 1 323 . 1 . 1 207 207 TYR CA C 13 59.139 0.019 . 1 . . . . . 207 Y CA . 51992 1 324 . 1 . 1 207 207 TYR CB C 13 41.857 0.011 . 1 . . . . . 207 Y CB . 51992 1 325 . 1 . 1 207 207 TYR N N 15 121.800 0.021 . 1 . . . . . 207 Y N . 51992 1 326 . 1 . 1 208 208 MET H H 1 7.294 0.003 . 1 . . . . . 208 M H . 51992 1 327 . 1 . 1 208 208 MET CA C 13 52.576 0.033 . 1 . . . . . 208 M CA . 51992 1 328 . 1 . 1 208 208 MET CB C 13 32.494 0.000 . 1 . . . . . 208 M CB . 51992 1 329 . 1 . 1 208 208 MET N N 15 129.394 0.008 . 1 . . . . . 208 M N . 51992 1 330 . 1 . 1 209 209 GLY H H 1 9.463 0.003 . 1 . . . . . 209 G H . 51992 1 331 . 1 . 1 209 209 GLY CA C 13 45.066 0.040 . 1 . . . . . 209 G CA . 51992 1 332 . 1 . 1 209 209 GLY N N 15 113.125 0.021 . 1 . . . . . 209 G N . 51992 1 333 . 1 . 1 210 210 THR H H 1 7.409 0.004 . 1 . . . . . 210 T H . 51992 1 334 . 1 . 1 210 210 THR CA C 13 60.043 0.094 . 1 . . . . . 210 T CA . 51992 1 335 . 1 . 1 210 210 THR CB C 13 68.820 0.005 . 1 . . . . . 210 T CB . 51992 1 336 . 1 . 1 210 210 THR N N 15 115.690 0.013 . 1 . . . . . 210 T N . 51992 1 337 . 1 . 1 211 211 LEU H H 1 8.249 0.004 . 1 . . . . . 211 L H . 51992 1 338 . 1 . 1 211 211 LEU CA C 13 54.836 0.050 . 1 . . . . . 211 L CA . 51992 1 339 . 1 . 1 211 211 LEU CB C 13 41.677 0.012 . 1 . . . . . 211 L CB . 51992 1 340 . 1 . 1 211 211 LEU N N 15 121.823 0.017 . 1 . . . . . 211 L N . 51992 1 341 . 1 . 1 212 212 SER H H 1 7.846 0.002 . 1 . . . . . 212 S H . 51992 1 342 . 1 . 1 212 212 SER CA C 13 56.534 0.045 . 1 . . . . . 212 S CA . 51992 1 343 . 1 . 1 212 212 SER CB C 13 62.103 0.013 . 1 . . . . . 212 S CB . 51992 1 344 . 1 . 1 212 212 SER N N 15 112.900 0.013 . 1 . . . . . 212 S N . 51992 1 345 . 1 . 1 213 213 TYR H H 1 7.403 0.005 . 1 . . . . . 213 Y H . 51992 1 346 . 1 . 1 213 213 TYR CB C 13 35.908 0.000 . 1 . . . . . 213 Y CB . 51992 1 347 . 1 . 1 213 213 TYR N N 15 134.081 0.015 . 1 . . . . . 213 Y N . 51992 1 348 . 1 . 1 215 215 GLN CA C 13 57.785 0.061 . 1 . . . . . 215 Q CA . 51992 1 349 . 1 . 1 215 215 GLN CB C 13 27.398 0.003 . 1 . . . . . 215 Q CB . 51992 1 350 . 1 . 1 216 216 PHE H H 1 7.442 0.004 . 1 . . . . . 216 F H . 51992 1 351 . 1 . 1 216 216 PHE CA C 13 57.385 0.066 . 1 . . . . . 216 F CA . 51992 1 352 . 1 . 1 216 216 PHE CB C 13 38.746 0.023 . 1 . . . . . 216 F CB . 51992 1 353 . 1 . 1 216 216 PHE N N 15 120.592 0.050 . 1 . . . . . 216 F N . 51992 1 354 . 1 . 1 217 217 LYS H H 1 7.446 0.005 . 1 . . . . . 217 K H . 51992 1 355 . 1 . 1 217 217 LYS CA C 13 58.815 0.023 . 1 . . . . . 217 K CA . 51992 1 356 . 1 . 1 217 217 LYS CB C 13 32.538 0.000 . 1 . . . . . 217 K CB . 51992 1 357 . 1 . 1 217 217 LYS N N 15 115.577 0.050 . 1 . . . . . 217 K N . 51992 1 358 . 1 . 1 218 218 LYS H H 1 7.631 0.004 . 1 . . . . . 218 K H . 51992 1 359 . 1 . 1 218 218 LYS CA C 13 57.559 0.033 . 1 . . . . . 218 K CA . 51992 1 360 . 1 . 1 218 218 LYS CB C 13 32.546 0.011 . 1 . . . . . 218 K CB . 51992 1 361 . 1 . 1 218 218 LYS N N 15 119.173 0.014 . 1 . . . . . 218 K N . 51992 1 362 . 1 . 1 219 219 GLY H H 1 8.199 0.003 . 1 . . . . . 219 G H . 51992 1 363 . 1 . 1 219 219 GLY CA C 13 44.479 0.017 . 1 . . . . . 219 G CA . 51992 1 364 . 1 . 1 219 219 GLY N N 15 108.855 0.022 . 1 . . . . . 219 G N . 51992 1 365 . 1 . 1 220 220 VAL H H 1 9.180 0.004 . 1 . . . . . 220 V H . 51992 1 366 . 1 . 1 220 220 VAL CA C 13 58.831 0.015 . 1 . . . . . 220 V CA . 51992 1 367 . 1 . 1 220 220 VAL CB C 13 33.460 0.015 . 1 . . . . . 220 V CB . 51992 1 368 . 1 . 1 220 220 VAL N N 15 122.703 0.015 . 1 . . . . . 220 V N . 51992 1 369 . 1 . 1 221 221 GLN H H 1 8.568 0.003 . 1 . . . . . 221 Q H . 51992 1 370 . 1 . 1 221 221 GLN CA C 13 55.135 0.047 . 1 . . . . . 221 Q CA . 51992 1 371 . 1 . 1 221 221 GLN CB C 13 29.280 0.020 . 1 . . . . . 221 Q CB . 51992 1 372 . 1 . 1 221 221 GLN N N 15 123.141 0.008 . 1 . . . . . 221 Q N . 51992 1 373 . 1 . 1 222 222 ILE H H 1 8.821 0.003 . 1 . . . . . 222 I H . 51992 1 374 . 1 . 1 222 222 ILE CA C 13 57.450 0.034 . 1 . . . . . 222 I CA . 51992 1 375 . 1 . 1 222 222 ILE CB C 13 39.878 0.000 . 1 . . . . . 222 I CB . 51992 1 376 . 1 . 1 222 222 ILE N N 15 120.476 0.025 . 1 . . . . . 222 I N . 51992 1 377 . 1 . 1 223 223 PRO CA C 13 62.839 0.042 . 1 . . . . . 223 P CA . 51992 1 378 . 1 . 1 223 223 PRO CB C 13 30.786 0.000 . 1 . . . . . 223 P CB . 51992 1 379 . 1 . 1 224 224 CYS H H 1 8.858 0.003 . 1 . . . . . 224 C H . 51992 1 380 . 1 . 1 224 224 CYS CA C 13 58.570 0.052 . 1 . . . . . 224 C CA . 51992 1 381 . 1 . 1 224 224 CYS CB C 13 29.863 0.043 . 1 . . . . . 224 C CB . 51992 1 382 . 1 . 1 224 224 CYS N N 15 126.987 0.018 . 1 . . . . . 224 C N . 51992 1 383 . 1 . 1 225 225 THR H H 1 8.532 0.022 . 1 . . . . . 225 T H . 51992 1 384 . 1 . 1 225 225 THR CA C 13 64.811 0.022 . 1 . . . . . 225 T CA . 51992 1 385 . 1 . 1 225 225 THR CB C 13 68.268 0.002 . 1 . . . . . 225 T CB . 51992 1 386 . 1 . 1 225 225 THR N N 15 125.236 0.018 . 1 . . . . . 225 T N . 51992 1 387 . 1 . 1 226 226 CYS H H 1 8.101 0.004 . 1 . . . . . 226 C H . 51992 1 388 . 1 . 1 226 226 CYS CA C 13 59.037 0.018 . 1 . . . . . 226 C CA . 51992 1 389 . 1 . 1 226 226 CYS CB C 13 30.585 0.000 . 1 . . . . . 226 C CB . 51992 1 390 . 1 . 1 226 226 CYS N N 15 120.970 0.040 . 1 . . . . . 226 C N . 51992 1 391 . 1 . 1 227 227 GLY H H 1 7.768 0.004 . 1 . . . . . 227 G H . 51992 1 392 . 1 . 1 227 227 GLY CA C 13 44.678 0.022 . 1 . . . . . 227 G CA . 51992 1 393 . 1 . 1 227 227 GLY N N 15 111.717 0.010 . 1 . . . . . 227 G N . 51992 1 394 . 1 . 1 228 228 LYS H H 1 8.236 0.003 . 1 . . . . . 228 K H . 51992 1 395 . 1 . 1 228 228 LYS CA C 13 55.061 0.033 . 1 . . . . . 228 K CA . 51992 1 396 . 1 . 1 228 228 LYS CB C 13 32.438 0.010 . 1 . . . . . 228 K CB . 51992 1 397 . 1 . 1 228 228 LYS N N 15 123.364 0.013 . 1 . . . . . 228 K N . 51992 1 398 . 1 . 1 229 229 GLN H H 1 8.186 0.003 . 1 . . . . . 229 Q H . 51992 1 399 . 1 . 1 229 229 GLN CA C 13 55.404 0.033 . 1 . . . . . 229 Q CA . 51992 1 400 . 1 . 1 229 229 GLN CB C 13 29.274 0.029 . 1 . . . . . 229 Q CB . 51992 1 401 . 1 . 1 229 229 GLN N N 15 117.657 0.007 . 1 . . . . . 229 Q N . 51992 1 402 . 1 . 1 230 230 ALA H H 1 9.484 0.029 . 1 . . . . . 230 A H . 51992 1 403 . 1 . 1 230 230 ALA CA C 13 50.074 0.063 . 1 . . . . . 230 A CA . 51992 1 404 . 1 . 1 230 230 ALA CB C 13 21.302 0.003 . 1 . . . . . 230 A CB . 51992 1 405 . 1 . 1 230 230 ALA N N 15 129.604 0.012 . 1 . . . . . 230 A N . 51992 1 406 . 1 . 1 231 231 THR H H 1 8.311 0.003 . 1 . . . . . 231 T H . 51992 1 407 . 1 . 1 231 231 THR CA C 13 61.493 0.010 . 1 . . . . . 231 T CA . 51992 1 408 . 1 . 1 231 231 THR CB C 13 70.082 0.020 . 1 . . . . . 231 T CB . 51992 1 409 . 1 . 1 231 231 THR N N 15 114.818 0.015 . 1 . . . . . 231 T N . 51992 1 410 . 1 . 1 232 232 LYS H H 1 9.439 0.006 . 1 . . . . . 232 K H . 51992 1 411 . 1 . 1 232 232 LYS CA C 13 53.510 0.034 . 1 . . . . . 232 K CA . 51992 1 412 . 1 . 1 232 232 LYS CB C 13 34.322 0.011 . 1 . . . . . 232 K CB . 51992 1 413 . 1 . 1 232 232 LYS N N 15 129.501 0.015 . 1 . . . . . 232 K N . 51992 1 414 . 1 . 1 233 233 TYR H H 1 8.981 0.003 . 1 . . . . . 233 Y H . 51992 1 415 . 1 . 1 233 233 TYR CA C 13 55.059 0.033 . 1 . . . . . 233 Y CA . 51992 1 416 . 1 . 1 233 233 TYR CB C 13 40.885 0.048 . 1 . . . . . 233 Y CB . 51992 1 417 . 1 . 1 233 233 TYR N N 15 121.871 0.021 . 1 . . . . . 233 Y N . 51992 1 418 . 1 . 1 234 234 LEU H H 1 6.976 0.004 . 1 . . . . . 234 L H . 51992 1 419 . 1 . 1 234 234 LEU CA C 13 54.179 0.074 . 1 . . . . . 234 L CA . 51992 1 420 . 1 . 1 234 234 LEU CB C 13 42.440 0.000 . 1 . . . . . 234 L CB . 51992 1 421 . 1 . 1 234 234 LEU N N 15 121.485 0.026 . 1 . . . . . 234 L N . 51992 1 422 . 1 . 1 235 235 VAL H H 1 9.165 0.003 . 1 . . . . . 235 V H . 51992 1 423 . 1 . 1 235 235 VAL CA C 13 54.795 0.000 . 1 . . . . . 235 V CA . 51992 1 424 . 1 . 1 235 235 VAL CB C 13 30.439 0.000 . 1 . . . . . 235 V CB . 51992 1 425 . 1 . 1 235 235 VAL N N 15 128.835 0.019 . 1 . . . . . 235 V N . 51992 1 426 . 1 . 1 241 241 PHE CA C 13 55.157 0.011 . 1 . . . . . 241 F CA . 51992 1 427 . 1 . 1 242 242 VAL H H 1 8.870 0.003 . 1 . . . . . 242 V H . 51992 1 428 . 1 . 1 242 242 VAL CA C 13 61.002 0.062 . 1 . . . . . 242 V CA . 51992 1 429 . 1 . 1 242 242 VAL CB C 13 34.680 0.001 . 1 . . . . . 242 V CB . 51992 1 430 . 1 . 1 242 242 VAL N N 15 114.721 0.024 . 1 . . . . . 242 V N . 51992 1 431 . 1 . 1 243 243 MET H H 1 8.841 0.005 . 1 . . . . . 243 M H . 51992 1 432 . 1 . 1 243 243 MET CA C 13 54.323 0.020 . 1 . . . . . 243 M CA . 51992 1 433 . 1 . 1 243 243 MET CB C 13 34.214 0.077 . 1 . . . . . 243 M CB . 51992 1 434 . 1 . 1 243 243 MET N N 15 125.218 0.020 . 1 . . . . . 243 M N . 51992 1 435 . 1 . 1 244 244 MET H H 1 9.273 0.004 . 1 . . . . . 244 M H . 51992 1 436 . 1 . 1 244 244 MET CA C 13 51.855 0.008 . 1 . . . . . 244 M CA . 51992 1 437 . 1 . 1 244 244 MET CB C 13 29.758 0.034 . 1 . . . . . 244 M CB . 51992 1 438 . 1 . 1 244 244 MET N N 15 128.802 0.041 . 1 . . . . . 244 M N . 51992 1 439 . 1 . 1 245 245 SER H H 1 8.492 0.002 . 1 . . . . . 245 S H . 51992 1 440 . 1 . 1 245 245 SER CA C 13 57.724 0.027 . 1 . . . . . 245 S CA . 51992 1 441 . 1 . 1 245 245 SER CB C 13 66.387 0.015 . 1 . . . . . 245 S CB . 51992 1 442 . 1 . 1 245 245 SER N N 15 118.228 0.016 . 1 . . . . . 245 S N . 51992 1 443 . 1 . 1 246 246 ALA H H 1 8.757 0.003 . 1 . . . . . 246 A H . 51992 1 444 . 1 . 1 246 246 ALA CA C 13 50.929 0.015 . 1 . . . . . 246 A CA . 51992 1 445 . 1 . 1 246 246 ALA CB C 13 17.642 0.000 . 1 . . . . . 246 A CB . 51992 1 446 . 1 . 1 246 246 ALA N N 15 124.131 0.017 . 1 . . . . . 246 A N . 51992 1 447 . 1 . 1 248 248 PRO CA C 13 63.348 0.033 . 1 . . . . . 248 P CA . 51992 1 448 . 1 . 1 248 248 PRO CB C 13 30.638 0.003 . 1 . . . . . 248 P CB . 51992 1 449 . 1 . 1 249 249 ALA H H 1 7.851 0.003 . 1 . . . . . 249 A H . 51992 1 450 . 1 . 1 249 249 ALA CA C 13 50.816 0.017 . 1 . . . . . 249 A CA . 51992 1 451 . 1 . 1 249 249 ALA CB C 13 20.099 0.015 . 1 . . . . . 249 A CB . 51992 1 452 . 1 . 1 249 249 ALA N N 15 125.907 0.010 . 1 . . . . . 249 A N . 51992 1 453 . 1 . 1 250 250 GLN H H 1 8.337 0.003 . 1 . . . . . 250 Q H . 51992 1 454 . 1 . 1 250 250 GLN CA C 13 56.626 0.037 . 1 . . . . . 250 Q CA . 51992 1 455 . 1 . 1 250 250 GLN CB C 13 27.427 0.024 . 1 . . . . . 250 Q CB . 51992 1 456 . 1 . 1 250 250 GLN N N 15 119.028 0.013 . 1 . . . . . 250 Q N . 51992 1 457 . 1 . 1 251 251 TYR H H 1 8.950 0.004 . 1 . . . . . 251 Y H . 51992 1 458 . 1 . 1 251 251 TYR CA C 13 57.849 0.008 . 1 . . . . . 251 Y CA . 51992 1 459 . 1 . 1 251 251 TYR CB C 13 42.065 0.020 . 1 . . . . . 251 Y CB . 51992 1 460 . 1 . 1 251 251 TYR N N 15 129.923 0.054 . 1 . . . . . 251 Y N . 51992 1 461 . 1 . 1 252 252 GLU H H 1 7.322 0.005 . 1 . . . . . 252 E H . 51992 1 462 . 1 . 1 252 252 GLU CA C 13 54.350 0.020 . 1 . . . . . 252 E CA . 51992 1 463 . 1 . 1 252 252 GLU CB C 13 29.980 0.002 . 1 . . . . . 252 E CB . 51992 1 464 . 1 . 1 252 252 GLU N N 15 125.318 0.010 . 1 . . . . . 252 E N . 51992 1 465 . 1 . 1 253 253 LEU H H 1 8.417 0.003 . 1 . . . . . 253 L H . 51992 1 466 . 1 . 1 253 253 LEU CA C 13 52.548 0.023 . 1 . . . . . 253 L CA . 51992 1 467 . 1 . 1 253 253 LEU CB C 13 41.628 0.014 . 1 . . . . . 253 L CB . 51992 1 468 . 1 . 1 253 253 LEU N N 15 126.103 0.017 . 1 . . . . . 253 L N . 51992 1 469 . 1 . 1 254 254 LYS H H 1 8.008 0.003 . 1 . . . . . 254 K H . 51992 1 470 . 1 . 1 254 254 LYS CA C 13 54.152 0.022 . 1 . . . . . 254 K CA . 51992 1 471 . 1 . 1 254 254 LYS CB C 13 32.653 0.043 . 1 . . . . . 254 K CB . 51992 1 472 . 1 . 1 254 254 LYS N N 15 121.242 0.004 . 1 . . . . . 254 K N . 51992 1 473 . 1 . 1 255 255 HIS H H 1 9.467 0.002 . 1 . . . . . 255 H H . 51992 1 474 . 1 . 1 255 255 HIS CA C 13 58.974 0.034 . 1 . . . . . 255 H CA . 51992 1 475 . 1 . 1 255 255 HIS CB C 13 31.034 0.000 . 1 . . . . . 255 H CB . 51992 1 476 . 1 . 1 255 255 HIS N N 15 127.208 0.010 . 1 . . . . . 255 H N . 51992 1 477 . 1 . 1 256 256 GLY H H 1 7.791 0.005 . 1 . . . . . 256 G H . 51992 1 478 . 1 . 1 256 256 GLY CA C 13 44.887 0.035 . 1 . . . . . 256 G CA . 51992 1 479 . 1 . 1 256 256 GLY N N 15 113.365 0.010 . 1 . . . . . 256 G N . 51992 1 480 . 1 . 1 257 257 THR H H 1 7.609 0.029 . 1 . . . . . 257 T H . 51992 1 481 . 1 . 1 257 257 THR CA C 13 61.810 0.017 . 1 . . . . . 257 T CA . 51992 1 482 . 1 . 1 257 257 THR CB C 13 70.860 0.006 . 1 . . . . . 257 T CB . 51992 1 483 . 1 . 1 257 257 THR N N 15 106.970 0.081 . 1 . . . . . 257 T N . 51992 1 484 . 1 . 1 258 258 PHE H H 1 7.509 0.004 . 1 . . . . . 258 F H . 51992 1 485 . 1 . 1 258 258 PHE CA C 13 54.546 0.033 . 1 . . . . . 258 F CA . 51992 1 486 . 1 . 1 258 258 PHE CB C 13 39.189 0.022 . 1 . . . . . 258 F CB . 51992 1 487 . 1 . 1 258 258 PHE N N 15 116.730 0.020 . 1 . . . . . 258 F N . 51992 1 488 . 1 . 1 259 259 THR H H 1 8.941 0.004 . 1 . . . . . 259 T H . 51992 1 489 . 1 . 1 259 259 THR CA C 13 64.585 0.004 . 1 . . . . . 259 T CA . 51992 1 490 . 1 . 1 259 259 THR CB C 13 68.915 0.025 . 1 . . . . . 259 T CB . 51992 1 491 . 1 . 1 259 259 THR N N 15 116.858 0.016 . 1 . . . . . 259 T N . 51992 1 492 . 1 . 1 260 260 CYS H H 1 7.740 0.003 . 1 . . . . . 260 C H . 51992 1 493 . 1 . 1 260 260 CYS CA C 13 56.190 0.041 . 1 . . . . . 260 C CA . 51992 1 494 . 1 . 1 260 260 CYS CB C 13 30.147 0.024 . 1 . . . . . 260 C CB . 51992 1 495 . 1 . 1 260 260 CYS N N 15 111.917 0.039 . 1 . . . . . 260 C N . 51992 1 496 . 1 . 1 261 261 ALA H H 1 9.698 0.004 . 1 . . . . . 261 A H . 51992 1 497 . 1 . 1 261 261 ALA CA C 13 51.483 0.040 . 1 . . . . . 261 A CA . 51992 1 498 . 1 . 1 261 261 ALA CB C 13 24.354 0.016 . 1 . . . . . 261 A CB . 51992 1 499 . 1 . 1 261 261 ALA N N 15 122.982 0.009 . 1 . . . . . 261 A N . 51992 1 500 . 1 . 1 262 262 SER H H 1 9.162 0.004 . 1 . . . . . 262 S H . 51992 1 501 . 1 . 1 262 262 SER CA C 13 57.063 0.027 . 1 . . . . . 262 S CA . 51992 1 502 . 1 . 1 262 262 SER CB C 13 65.532 0.034 . 1 . . . . . 262 S CB . 51992 1 503 . 1 . 1 262 262 SER N N 15 114.840 0.024 . 1 . . . . . 262 S N . 51992 1 504 . 1 . 1 263 263 GLU H H 1 9.064 0.003 . 1 . . . . . 263 E H . 51992 1 505 . 1 . 1 263 263 GLU CA C 13 54.086 0.037 . 1 . . . . . 263 E CA . 51992 1 506 . 1 . 1 263 263 GLU CB C 13 32.932 0.046 . 1 . . . . . 263 E CB . 51992 1 507 . 1 . 1 263 263 GLU N N 15 126.790 0.026 . 1 . . . . . 263 E N . 51992 1 508 . 1 . 1 264 264 TYR H H 1 8.648 0.003 . 1 . . . . . 264 Y H . 51992 1 509 . 1 . 1 264 264 TYR CA C 13 56.728 0.006 . 1 . . . . . 264 Y CA . 51992 1 510 . 1 . 1 264 264 TYR CB C 13 42.059 0.000 . 1 . . . . . 264 Y CB . 51992 1 511 . 1 . 1 264 264 TYR N N 15 127.390 0.020 . 1 . . . . . 264 Y N . 51992 1 512 . 1 . 1 265 265 THR H H 1 7.860 0.005 . 1 . . . . . 265 T H . 51992 1 513 . 1 . 1 265 265 THR CA C 13 60.043 0.029 . 1 . . . . . 265 T CA . 51992 1 514 . 1 . 1 265 265 THR CB C 13 69.941 0.021 . 1 . . . . . 265 T CB . 51992 1 515 . 1 . 1 265 265 THR N N 15 120.642 0.035 . 1 . . . . . 265 T N . 51992 1 516 . 1 . 1 266 266 GLY H H 1 8.051 0.004 . 1 . . . . . 266 G H . 51992 1 517 . 1 . 1 266 266 GLY CA C 13 44.226 0.034 . 1 . . . . . 266 G CA . 51992 1 518 . 1 . 1 266 266 GLY N N 15 110.194 0.057 . 1 . . . . . 266 G N . 51992 1 519 . 1 . 1 267 267 ASN H H 1 8.175 0.003 . 1 . . . . . 267 N H . 51992 1 520 . 1 . 1 267 267 ASN CA C 13 51.734 0.020 . 1 . . . . . 267 N CA . 51992 1 521 . 1 . 1 267 267 ASN CB C 13 38.917 0.000 . 1 . . . . . 267 N CB . 51992 1 522 . 1 . 1 267 267 ASN N N 15 118.747 0.016 . 1 . . . . . 267 N N . 51992 1 523 . 1 . 1 269 269 GLN CA C 13 56.810 0.040 . 1 . . . . . 269 Q CA . 51992 1 524 . 1 . 1 269 269 GLN CB C 13 28.201 0.000 . 1 . . . . . 269 Q CB . 51992 1 525 . 1 . 1 270 270 CYS H H 1 7.909 0.003 . 1 . . . . . 270 C H . 51992 1 526 . 1 . 1 270 270 CYS CA C 13 57.985 0.052 . 1 . . . . . 270 C CA . 51992 1 527 . 1 . 1 270 270 CYS CB C 13 27.393 0.002 . 1 . . . . . 270 C CB . 51992 1 528 . 1 . 1 270 270 CYS N N 15 117.254 0.011 . 1 . . . . . 270 C N . 51992 1 529 . 1 . 1 271 271 GLY H H 1 7.971 0.003 . 1 . . . . . 271 G H . 51992 1 530 . 1 . 1 271 271 GLY CA C 13 45.974 0.026 . 1 . . . . . 271 G CA . 51992 1 531 . 1 . 1 271 271 GLY N N 15 114.211 0.020 . 1 . . . . . 271 G N . 51992 1 532 . 1 . 1 272 272 HIS H H 1 7.947 0.005 . 1 . . . . . 272 H H . 51992 1 533 . 1 . 1 272 272 HIS CA C 13 56.167 0.041 . 1 . . . . . 272 H CA . 51992 1 534 . 1 . 1 272 272 HIS N N 15 121.043 0.015 . 1 . . . . . 272 H N . 51992 1 535 . 1 . 1 273 273 TYR H H 1 8.460 0.019 . 1 . . . . . 273 Y H . 51992 1 536 . 1 . 1 273 273 TYR CA C 13 56.795 0.019 . 1 . . . . . 273 Y CA . 51992 1 537 . 1 . 1 273 273 TYR CB C 13 41.495 0.078 . 1 . . . . . 273 Y CB . 51992 1 538 . 1 . 1 273 273 TYR N N 15 125.783 0.009 . 1 . . . . . 273 Y N . 51992 1 539 . 1 . 1 274 274 LYS H H 1 8.828 0.003 . 1 . . . . . 274 K H . 51992 1 540 . 1 . 1 274 274 LYS CA C 13 55.412 0.003 . 1 . . . . . 274 K CA . 51992 1 541 . 1 . 1 274 274 LYS CB C 13 36.332 0.001 . 1 . . . . . 274 K CB . 51992 1 542 . 1 . 1 274 274 LYS N N 15 115.916 0.022 . 1 . . . . . 274 K N . 51992 1 543 . 1 . 1 275 275 HIS H H 1 8.075 0.004 . 1 . . . . . 275 H H . 51992 1 544 . 1 . 1 275 275 HIS CA C 13 54.872 0.009 . 1 . . . . . 275 H CA . 51992 1 545 . 1 . 1 275 275 HIS CB C 13 32.378 0.043 . 1 . . . . . 275 H CB . 51992 1 546 . 1 . 1 275 275 HIS N N 15 120.685 0.025 . 1 . . . . . 275 H N . 51992 1 547 . 1 . 1 276 276 ILE H H 1 8.576 0.061 . 1 . . . . . 276 I H . 51992 1 548 . 1 . 1 276 276 ILE CA C 13 59.049 0.013 . 1 . . . . . 276 I CA . 51992 1 549 . 1 . 1 276 276 ILE CB C 13 38.821 0.007 . 1 . . . . . 276 I CB . 51992 1 550 . 1 . 1 276 276 ILE N N 15 128.084 0.013 . 1 . . . . . 276 I N . 51992 1 551 . 1 . 1 277 277 THR H H 1 9.262 0.003 . 1 . . . . . 277 T H . 51992 1 552 . 1 . 1 277 277 THR CA C 13 58.677 0.035 . 1 . . . . . 277 T CA . 51992 1 553 . 1 . 1 277 277 THR CB C 13 67.990 0.012 . 1 . . . . . 277 T CB . 51992 1 554 . 1 . 1 277 277 THR N N 15 121.185 0.007 . 1 . . . . . 277 T N . 51992 1 555 . 1 . 1 278 278 SER H H 1 7.293 0.012 . 1 . . . . . 278 S H . 51992 1 556 . 1 . 1 278 278 SER CA C 13 56.731 0.024 . 1 . . . . . 278 S CA . 51992 1 557 . 1 . 1 278 278 SER CB C 13 62.597 0.014 . 1 . . . . . 278 S CB . 51992 1 558 . 1 . 1 278 278 SER N N 15 121.242 0.009 . 1 . . . . . 278 S N . 51992 1 559 . 1 . 1 279 279 LYS H H 1 8.216 0.004 . 1 . . . . . 279 K H . 51992 1 560 . 1 . 1 279 279 LYS CA C 13 54.121 0.021 . 1 . . . . . 279 K CA . 51992 1 561 . 1 . 1 279 279 LYS CB C 13 30.717 0.000 . 1 . . . . . 279 K CB . 51992 1 562 . 1 . 1 279 279 LYS N N 15 132.115 0.013 . 1 . . . . . 279 K N . 51992 1 563 . 1 . 1 282 282 LEU CA C 13 55.010 0.020 . 1 . . . . . 282 L CA . 51992 1 564 . 1 . 1 282 282 LEU CB C 13 40.789 0.000 . 1 . . . . . 282 L CB . 51992 1 565 . 1 . 1 283 283 TYR H H 1 8.877 0.004 . 1 . . . . . 283 Y H . 51992 1 566 . 1 . 1 283 283 TYR CA C 13 55.691 0.040 . 1 . . . . . 283 Y CA . 51992 1 567 . 1 . 1 283 283 TYR CB C 13 39.562 0.006 . 1 . . . . . 283 Y CB . 51992 1 568 . 1 . 1 283 283 TYR N N 15 120.668 0.013 . 1 . . . . . 283 Y N . 51992 1 569 . 1 . 1 284 284 CYS H H 1 9.158 0.004 . 1 . . . . . 284 C H . 51992 1 570 . 1 . 1 284 284 CYS CA C 13 56.352 0.111 . 1 . . . . . 284 C CA . 51992 1 571 . 1 . 1 284 284 CYS CB C 13 26.506 0.015 . 1 . . . . . 284 C CB . 51992 1 572 . 1 . 1 284 284 CYS N N 15 123.454 0.017 . 1 . . . . . 284 C N . 51992 1 573 . 1 . 1 285 285 ILE H H 1 10.028 0.009 . 1 . . . . . 285 I H . 51992 1 574 . 1 . 1 285 285 ILE CA C 13 61.001 0.028 . 1 . . . . . 285 I CA . 51992 1 575 . 1 . 1 285 285 ILE CB C 13 38.648 0.008 . 1 . . . . . 285 I CB . 51992 1 576 . 1 . 1 285 285 ILE N N 15 131.048 0.017 . 1 . . . . . 285 I N . 51992 1 577 . 1 . 1 286 286 ASP H H 1 9.182 0.004 . 1 . . . . . 286 D H . 51992 1 578 . 1 . 1 286 286 ASP CA C 13 50.190 0.025 . 1 . . . . . 286 D CA . 51992 1 579 . 1 . 1 286 286 ASP CB C 13 40.865 0.064 . 1 . . . . . 286 D CB . 51992 1 580 . 1 . 1 286 286 ASP N N 15 131.109 0.017 . 1 . . . . . 286 D N . 51992 1 581 . 1 . 1 287 287 GLY H H 1 9.284 0.003 . 1 . . . . . 287 G H . 51992 1 582 . 1 . 1 287 287 GLY CA C 13 47.270 0.023 . 1 . . . . . 287 G CA . 51992 1 583 . 1 . 1 287 287 GLY N N 15 115.170 0.012 . 1 . . . . . 287 G N . 51992 1 584 . 1 . 1 288 288 ALA H H 1 8.978 0.005 . 1 . . . . . 288 A H . 51992 1 585 . 1 . 1 288 288 ALA CA C 13 51.457 0.060 . 1 . . . . . 288 A CA . 51992 1 586 . 1 . 1 288 288 ALA CB C 13 19.453 0.000 . 1 . . . . . 288 A CB . 51992 1 587 . 1 . 1 288 288 ALA N N 15 130.129 0.008 . 1 . . . . . 288 A N . 51992 1 588 . 1 . 1 289 289 LEU H H 1 7.887 0.005 . 1 . . . . . 289 L H . 51992 1 589 . 1 . 1 289 289 LEU CA C 13 54.590 0.007 . 1 . . . . . 289 L CA . 51992 1 590 . 1 . 1 289 289 LEU CB C 13 42.004 0.007 . 1 . . . . . 289 L CB . 51992 1 591 . 1 . 1 289 289 LEU N N 15 120.609 0.020 . 1 . . . . . 289 L N . 51992 1 592 . 1 . 1 290 290 LEU H H 1 8.292 0.003 . 1 . . . . . 290 L H . 51992 1 593 . 1 . 1 290 290 LEU CA C 13 53.671 0.065 . 1 . . . . . 290 L CA . 51992 1 594 . 1 . 1 290 290 LEU CB C 13 44.620 0.024 . 1 . . . . . 290 L CB . 51992 1 595 . 1 . 1 290 290 LEU N N 15 125.215 0.013 . 1 . . . . . 290 L N . 51992 1 596 . 1 . 1 291 291 THR H H 1 8.870 0.004 . 1 . . . . . 291 T H . 51992 1 597 . 1 . 1 291 291 THR CA C 13 60.717 0.016 . 1 . . . . . 291 T CA . 51992 1 598 . 1 . 1 291 291 THR CB C 13 71.459 0.001 . 1 . . . . . 291 T CB . 51992 1 599 . 1 . 1 291 291 THR N N 15 119.994 0.043 . 1 . . . . . 291 T N . 51992 1 600 . 1 . 1 292 292 LYS H H 1 8.694 0.003 . 1 . . . . . 292 K H . 51992 1 601 . 1 . 1 292 292 LYS CA C 13 54.766 0.056 . 1 . . . . . 292 K CA . 51992 1 602 . 1 . 1 292 292 LYS CB C 13 34.452 0.012 . 1 . . . . . 292 K CB . 51992 1 603 . 1 . 1 292 292 LYS N N 15 124.394 0.007 . 1 . . . . . 292 K N . 51992 1 604 . 1 . 1 293 293 SER H H 1 8.795 0.003 . 1 . . . . . 293 S H . 51992 1 605 . 1 . 1 293 293 SER CA C 13 57.829 0.016 . 1 . . . . . 293 S CA . 51992 1 606 . 1 . 1 293 293 SER CB C 13 64.899 0.000 . 1 . . . . . 293 S CB . 51992 1 607 . 1 . 1 293 293 SER N N 15 116.636 0.041 . 1 . . . . . 293 S N . 51992 1 608 . 1 . 1 294 294 SER H H 1 8.483 0.000 . 1 . . . . . 294 S H . 51992 1 609 . 1 . 1 294 294 SER CA C 13 59.438 0.031 . 1 . . . . . 294 S CA . 51992 1 610 . 1 . 1 294 294 SER CB C 13 63.011 0.000 . 1 . . . . . 294 S CB . 51992 1 611 . 1 . 1 294 294 SER N N 15 114.091 0.000 . 1 . . . . . 294 S N . 51992 1 612 . 1 . 1 295 295 GLU H H 1 7.725 0.003 . 1 . . . . . 295 E H . 51992 1 613 . 1 . 1 295 295 GLU CA C 13 54.577 0.020 . 1 . . . . . 295 E CA . 51992 1 614 . 1 . 1 295 295 GLU CB C 13 32.212 0.030 . 1 . . . . . 295 E CB . 51992 1 615 . 1 . 1 295 295 GLU N N 15 118.154 0.021 . 1 . . . . . 295 E N . 51992 1 616 . 1 . 1 296 296 TYR H H 1 8.635 0.004 . 1 . . . . . 296 Y H . 51992 1 617 . 1 . 1 296 296 TYR CA C 13 59.321 0.019 . 1 . . . . . 296 Y CA . 51992 1 618 . 1 . 1 296 296 TYR CB C 13 41.915 0.019 . 1 . . . . . 296 Y CB . 51992 1 619 . 1 . 1 296 296 TYR N N 15 123.673 0.014 . 1 . . . . . 296 Y N . 51992 1 620 . 1 . 1 297 297 LYS H H 1 7.575 0.003 . 1 . . . . . 297 K H . 51992 1 621 . 1 . 1 297 297 LYS CA C 13 54.419 0.008 . 1 . . . . . 297 K CA . 51992 1 622 . 1 . 1 297 297 LYS CB C 13 34.369 0.000 . 1 . . . . . 297 K CB . 51992 1 623 . 1 . 1 297 297 LYS N N 15 129.348 0.011 . 1 . . . . . 297 K N . 51992 1 624 . 1 . 1 298 298 GLY H H 1 8.180 0.003 . 1 . . . . . 298 G H . 51992 1 625 . 1 . 1 298 298 GLY CA C 13 45.341 0.034 . 1 . . . . . 298 G CA . 51992 1 626 . 1 . 1 298 298 GLY N N 15 112.600 0.009 . 1 . . . . . 298 G N . 51992 1 627 . 1 . 1 300 300 ILE H H 1 8.846 0.000 . 1 . . . . . 300 I H . 51992 1 628 . 1 . 1 300 300 ILE N N 15 127.035 0.000 . 1 . . . . . 300 I N . 51992 1 629 . 1 . 1 301 301 THR H H 1 8.510 0.000 . 1 . . . . . 301 T H . 51992 1 630 . 1 . 1 301 301 THR CA C 13 60.398 0.000 . 1 . . . . . 301 T CA . 51992 1 631 . 1 . 1 301 301 THR N N 15 125.304 0.000 . 1 . . . . . 301 T N . 51992 1 632 . 1 . 1 302 302 ASP H H 1 7.043 0.004 . 1 . . . . . 302 D H . 51992 1 633 . 1 . 1 302 302 ASP CA C 13 53.365 0.016 . 1 . . . . . 302 D CA . 51992 1 634 . 1 . 1 302 302 ASP CB C 13 46.068 0.005 . 1 . . . . . 302 D CB . 51992 1 635 . 1 . 1 302 302 ASP N N 15 118.026 0.008 . 1 . . . . . 302 D N . 51992 1 636 . 1 . 1 303 303 VAL H H 1 9.751 0.003 . 1 . . . . . 303 V H . 51992 1 637 . 1 . 1 303 303 VAL CA C 13 62.248 0.031 . 1 . . . . . 303 V CA . 51992 1 638 . 1 . 1 303 303 VAL CB C 13 33.698 0.016 . 1 . . . . . 303 V CB . 51992 1 639 . 1 . 1 303 303 VAL N N 15 122.568 0.010 . 1 . . . . . 303 V N . 51992 1 640 . 1 . 1 304 304 PHE H H 1 9.298 0.005 . 1 . . . . . 304 F H . 51992 1 641 . 1 . 1 304 304 PHE CA C 13 56.166 0.056 . 1 . . . . . 304 F CA . 51992 1 642 . 1 . 1 304 304 PHE CB C 13 40.419 0.019 . 1 . . . . . 304 F CB . 51992 1 643 . 1 . 1 304 304 PHE N N 15 124.496 0.019 . 1 . . . . . 304 F N . 51992 1 644 . 1 . 1 305 305 TYR H H 1 8.933 0.004 . 1 . . . . . 305 Y H . 51992 1 645 . 1 . 1 305 305 TYR CA C 13 56.180 0.043 . 1 . . . . . 305 Y CA . 51992 1 646 . 1 . 1 305 305 TYR CB C 13 39.988 0.027 . 1 . . . . . 305 Y CB . 51992 1 647 . 1 . 1 305 305 TYR N N 15 120.698 0.022 . 1 . . . . . 305 Y N . 51992 1 648 . 1 . 1 306 306 LYS H H 1 8.934 0.004 . 1 . . . . . 306 K H . 51992 1 649 . 1 . 1 306 306 LYS CA C 13 56.593 0.041 . 1 . . . . . 306 K CA . 51992 1 650 . 1 . 1 306 306 LYS CB C 13 32.401 0.014 . 1 . . . . . 306 K CB . 51992 1 651 . 1 . 1 306 306 LYS N N 15 125.297 0.021 . 1 . . . . . 306 K N . 51992 1 652 . 1 . 1 307 307 GLU H H 1 7.596 0.004 . 1 . . . . . 307 E H . 51992 1 653 . 1 . 1 307 307 GLU CA C 13 53.824 0.039 . 1 . . . . . 307 E CA . 51992 1 654 . 1 . 1 307 307 GLU CB C 13 32.197 0.000 . 1 . . . . . 307 E CB . 51992 1 655 . 1 . 1 307 307 GLU N N 15 124.014 0.024 . 1 . . . . . 307 E N . 51992 1 656 . 1 . 1 311 311 THR H H 1 7.579 0.005 . 1 . . . . . 311 T H . 51992 1 657 . 1 . 1 311 311 THR CA C 13 60.434 0.034 . 1 . . . . . 311 T CA . 51992 1 658 . 1 . 1 311 311 THR CB C 13 70.536 0.058 . 1 . . . . . 311 T CB . 51992 1 659 . 1 . 1 311 311 THR N N 15 122.421 0.006 . 1 . . . . . 311 T N . 51992 1 660 . 1 . 1 312 312 THR H H 1 8.051 0.003 . 1 . . . . . 312 T H . 51992 1 661 . 1 . 1 312 312 THR CA C 13 61.546 0.025 . 1 . . . . . 312 T CA . 51992 1 662 . 1 . 1 312 312 THR CB C 13 68.088 0.012 . 1 . . . . . 312 T CB . 51992 1 663 . 1 . 1 312 312 THR N N 15 118.808 0.018 . 1 . . . . . 312 T N . 51992 1 664 . 1 . 1 313 313 THR H H 1 8.019 0.003 . 1 . . . . . 313 T H . 51992 1 665 . 1 . 1 313 313 THR CA C 13 61.209 0.058 . 1 . . . . . 313 T CA . 51992 1 666 . 1 . 1 313 313 THR CB C 13 69.098 0.050 . 1 . . . . . 313 T CB . 51992 1 667 . 1 . 1 313 313 THR N N 15 116.095 0.018 . 1 . . . . . 313 T N . 51992 1 668 . 1 . 1 314 314 ILE H H 1 8.335 0.003 . 1 . . . . . 314 I H . 51992 1 669 . 1 . 1 314 314 ILE CA C 13 62.058 0.014 . 1 . . . . . 314 I CA . 51992 1 670 . 1 . 1 314 314 ILE CB C 13 37.027 0.010 . 1 . . . . . 314 I CB . 51992 1 671 . 1 . 1 314 314 ILE N N 15 126.778 0.008 . 1 . . . . . 314 I N . 51992 1 672 . 1 . 1 315 315 LYS H H 1 7.861 0.003 . 1 . . . . . 315 K H . 51992 1 673 . 1 . 1 315 315 LYS CA C 13 57.032 0.001 . 1 . . . . . 315 K CA . 51992 1 674 . 1 . 1 315 315 LYS CB C 13 32.985 0.000 . 1 . . . . . 315 K CB . 51992 1 675 . 1 . 1 315 315 LYS N N 15 132.737 0.012 . 1 . . . . . 315 K N . 51992 1 stop_ save_