data_27599 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27599 _Entry.Title ; Backbone chemical shifts for super-stable p53 DNA-Binding Domain C5xS ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-09-05 _Entry.Accession_date 2018-09-05 _Entry.Last_release_date 2018-09-06 _Entry.Original_release_date 2018-09-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _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 ; Backbone chemical shift assignments for residues 88-312 of p53 (the DNA-binding domain) with mutations C124S/C182S/C229S/C275S/C277S and M133L/V203A/N239Y/N268D. ; _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 Alexander Krois . S. . . 27599 2 Jane Dyson . H. . . 27599 3 Peter Wright . E. . . 27599 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27599 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 375 27599 '15N chemical shifts' 176 27599 '1H chemical shifts' 176 27599 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 3 . . 2019-11-25 2018-09-05 update author 'update sample condition' 27599 2 . . 2019-01-04 2018-09-05 update BMRB 'update entry citation' 27599 1 . . 2018-11-07 2018-09-05 original author 'original release' 27599 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27599 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30420502 _Citation.Full_citation . _Citation.Title ; Long-range regulation of p53 DNA binding by its intrinsically disordered N-terminal transactivation domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 115 _Citation.Journal_issue 48 _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 E11302 _Citation.Page_last E11310 _Citation.Year 2018 _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 Alexander Krois . S. . . 27599 1 2 Jane Dyson . H. . . 27599 1 3 Peter Wright . E. . . 27599 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID idp 27599 1 intein 27599 1 p53 27599 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27599 _Assembly.ID 1 _Assembly.Name p53(DBD) _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 26000 _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 p53(DBD) 1 $p53(DBD)_super-stable_C5xS A . yes native no no . . . 27599 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_p53(DBD)_super-stable_C5xS _Entity.Sf_category entity _Entity.Sf_framecode p53(DBD)_super-stable_C5xS _Entity.Entry_ID 27599 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name p53(DBD)_super-stable_C5xS _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 ; GSHAPSWPLSSSVPSQKTYQ GSYGFRLGFLHSGTAKSVTS TYSPALNKLFCQLAKTCPVQ LWVDSTPPPGTRVRAMAIYK QSQHMTEVVRRCPHHERSSD SDGLAPPQHLIRVEGNLRAE YLDDRNTFRHSVVVPYEPPE VGSDSTTIHYNYMCYSSCMG GMNRRPILTIITLEDSSGNL LGRDSFEVRVSASPGRDRRT EEENLRKKGEPHHELPPGST KRALPNNT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 85 86 87 ...... 310 311 312 ; _Entity.Polymer_author_seq_details 'Residues 85, 86, and 87 are from expression/cloning and are not a part of the native sequence.' _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 228 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation C124S/M133L/C182S/V203A/C229S/N239Y/N268D/C275S/C277S _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 85 GLY . 27599 1 2 86 SER . 27599 1 3 87 HIS . 27599 1 4 88 ALA . 27599 1 5 89 PRO . 27599 1 6 90 SER . 27599 1 7 91 TRP . 27599 1 8 92 PRO . 27599 1 9 93 LEU . 27599 1 10 94 SER . 27599 1 11 95 SER . 27599 1 12 96 SER . 27599 1 13 97 VAL . 27599 1 14 98 PRO . 27599 1 15 99 SER . 27599 1 16 100 GLN . 27599 1 17 101 LYS . 27599 1 18 102 THR . 27599 1 19 103 TYR . 27599 1 20 104 GLN . 27599 1 21 105 GLY . 27599 1 22 106 SER . 27599 1 23 107 TYR . 27599 1 24 108 GLY . 27599 1 25 109 PHE . 27599 1 26 110 ARG . 27599 1 27 111 LEU . 27599 1 28 112 GLY . 27599 1 29 113 PHE . 27599 1 30 114 LEU . 27599 1 31 115 HIS . 27599 1 32 116 SER . 27599 1 33 117 GLY . 27599 1 34 118 THR . 27599 1 35 119 ALA . 27599 1 36 120 LYS . 27599 1 37 121 SER . 27599 1 38 122 VAL . 27599 1 39 123 THR . 27599 1 40 124 SER . 27599 1 41 125 THR . 27599 1 42 126 TYR . 27599 1 43 127 SER . 27599 1 44 128 PRO . 27599 1 45 129 ALA . 27599 1 46 130 LEU . 27599 1 47 131 ASN . 27599 1 48 132 LYS . 27599 1 49 133 LEU . 27599 1 50 134 PHE . 27599 1 51 135 CYS . 27599 1 52 136 GLN . 27599 1 53 137 LEU . 27599 1 54 138 ALA . 27599 1 55 139 LYS . 27599 1 56 140 THR . 27599 1 57 141 CYS . 27599 1 58 142 PRO . 27599 1 59 143 VAL . 27599 1 60 144 GLN . 27599 1 61 145 LEU . 27599 1 62 146 TRP . 27599 1 63 147 VAL . 27599 1 64 148 ASP . 27599 1 65 149 SER . 27599 1 66 150 THR . 27599 1 67 151 PRO . 27599 1 68 152 PRO . 27599 1 69 153 PRO . 27599 1 70 154 GLY . 27599 1 71 155 THR . 27599 1 72 156 ARG . 27599 1 73 157 VAL . 27599 1 74 158 ARG . 27599 1 75 159 ALA . 27599 1 76 160 MET . 27599 1 77 161 ALA . 27599 1 78 162 ILE . 27599 1 79 163 TYR . 27599 1 80 164 LYS . 27599 1 81 165 GLN . 27599 1 82 166 SER . 27599 1 83 167 GLN . 27599 1 84 168 HIS . 27599 1 85 169 MET . 27599 1 86 170 THR . 27599 1 87 171 GLU . 27599 1 88 172 VAL . 27599 1 89 173 VAL . 27599 1 90 174 ARG . 27599 1 91 175 ARG . 27599 1 92 176 CYS . 27599 1 93 177 PRO . 27599 1 94 178 HIS . 27599 1 95 179 HIS . 27599 1 96 180 GLU . 27599 1 97 181 ARG . 27599 1 98 182 SER . 27599 1 99 183 SER . 27599 1 100 184 ASP . 27599 1 101 185 SER . 27599 1 102 186 ASP . 27599 1 103 187 GLY . 27599 1 104 188 LEU . 27599 1 105 189 ALA . 27599 1 106 190 PRO . 27599 1 107 191 PRO . 27599 1 108 192 GLN . 27599 1 109 193 HIS . 27599 1 110 194 LEU . 27599 1 111 195 ILE . 27599 1 112 196 ARG . 27599 1 113 197 VAL . 27599 1 114 198 GLU . 27599 1 115 199 GLY . 27599 1 116 200 ASN . 27599 1 117 201 LEU . 27599 1 118 202 ARG . 27599 1 119 203 ALA . 27599 1 120 204 GLU . 27599 1 121 205 TYR . 27599 1 122 206 LEU . 27599 1 123 207 ASP . 27599 1 124 208 ASP . 27599 1 125 209 ARG . 27599 1 126 210 ASN . 27599 1 127 211 THR . 27599 1 128 212 PHE . 27599 1 129 213 ARG . 27599 1 130 214 HIS . 27599 1 131 215 SER . 27599 1 132 216 VAL . 27599 1 133 217 VAL . 27599 1 134 218 VAL . 27599 1 135 219 PRO . 27599 1 136 220 TYR . 27599 1 137 221 GLU . 27599 1 138 222 PRO . 27599 1 139 223 PRO . 27599 1 140 224 GLU . 27599 1 141 225 VAL . 27599 1 142 226 GLY . 27599 1 143 227 SER . 27599 1 144 228 ASP . 27599 1 145 229 SER . 27599 1 146 230 THR . 27599 1 147 231 THR . 27599 1 148 232 ILE . 27599 1 149 233 HIS . 27599 1 150 234 TYR . 27599 1 151 235 ASN . 27599 1 152 236 TYR . 27599 1 153 237 MET . 27599 1 154 238 CYS . 27599 1 155 239 TYR . 27599 1 156 240 SER . 27599 1 157 241 SER . 27599 1 158 242 CYS . 27599 1 159 243 MET . 27599 1 160 244 GLY . 27599 1 161 245 GLY . 27599 1 162 246 MET . 27599 1 163 247 ASN . 27599 1 164 248 ARG . 27599 1 165 249 ARG . 27599 1 166 250 PRO . 27599 1 167 251 ILE . 27599 1 168 252 LEU . 27599 1 169 253 THR . 27599 1 170 254 ILE . 27599 1 171 255 ILE . 27599 1 172 256 THR . 27599 1 173 257 LEU . 27599 1 174 258 GLU . 27599 1 175 259 ASP . 27599 1 176 260 SER . 27599 1 177 261 SER . 27599 1 178 262 GLY . 27599 1 179 263 ASN . 27599 1 180 264 LEU . 27599 1 181 265 LEU . 27599 1 182 266 GLY . 27599 1 183 267 ARG . 27599 1 184 268 ASP . 27599 1 185 269 SER . 27599 1 186 270 PHE . 27599 1 187 271 GLU . 27599 1 188 272 VAL . 27599 1 189 273 ARG . 27599 1 190 274 VAL . 27599 1 191 275 SER . 27599 1 192 276 ALA . 27599 1 193 277 SER . 27599 1 194 278 PRO . 27599 1 195 279 GLY . 27599 1 196 280 ARG . 27599 1 197 281 ASP . 27599 1 198 282 ARG . 27599 1 199 283 ARG . 27599 1 200 284 THR . 27599 1 201 285 GLU . 27599 1 202 286 GLU . 27599 1 203 287 GLU . 27599 1 204 288 ASN . 27599 1 205 289 LEU . 27599 1 206 290 ARG . 27599 1 207 291 LYS . 27599 1 208 292 LYS . 27599 1 209 293 GLY . 27599 1 210 294 GLU . 27599 1 211 295 PRO . 27599 1 212 296 HIS . 27599 1 213 297 HIS . 27599 1 214 298 GLU . 27599 1 215 299 LEU . 27599 1 216 300 PRO . 27599 1 217 301 PRO . 27599 1 218 302 GLY . 27599 1 219 303 SER . 27599 1 220 304 THR . 27599 1 221 305 LYS . 27599 1 222 306 ARG . 27599 1 223 307 ALA . 27599 1 224 308 LEU . 27599 1 225 309 PRO . 27599 1 226 310 ASN . 27599 1 227 311 ASN . 27599 1 228 312 THR . 27599 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 . GLY 1 1 27599 1 . SER 2 2 27599 1 . HIS 3 3 27599 1 . ALA 4 4 27599 1 . PRO 5 5 27599 1 . SER 6 6 27599 1 . TRP 7 7 27599 1 . PRO 8 8 27599 1 . LEU 9 9 27599 1 . SER 10 10 27599 1 . SER 11 11 27599 1 . SER 12 12 27599 1 . VAL 13 13 27599 1 . PRO 14 14 27599 1 . SER 15 15 27599 1 . GLN 16 16 27599 1 . LYS 17 17 27599 1 . THR 18 18 27599 1 . TYR 19 19 27599 1 . GLN 20 20 27599 1 . GLY 21 21 27599 1 . SER 22 22 27599 1 . TYR 23 23 27599 1 . GLY 24 24 27599 1 . PHE 25 25 27599 1 . ARG 26 26 27599 1 . LEU 27 27 27599 1 . GLY 28 28 27599 1 . PHE 29 29 27599 1 . LEU 30 30 27599 1 . HIS 31 31 27599 1 . SER 32 32 27599 1 . GLY 33 33 27599 1 . THR 34 34 27599 1 . ALA 35 35 27599 1 . LYS 36 36 27599 1 . SER 37 37 27599 1 . VAL 38 38 27599 1 . THR 39 39 27599 1 . SER 40 40 27599 1 . THR 41 41 27599 1 . TYR 42 42 27599 1 . SER 43 43 27599 1 . PRO 44 44 27599 1 . ALA 45 45 27599 1 . LEU 46 46 27599 1 . ASN 47 47 27599 1 . LYS 48 48 27599 1 . LEU 49 49 27599 1 . PHE 50 50 27599 1 . CYS 51 51 27599 1 . GLN 52 52 27599 1 . LEU 53 53 27599 1 . ALA 54 54 27599 1 . LYS 55 55 27599 1 . THR 56 56 27599 1 . CYS 57 57 27599 1 . PRO 58 58 27599 1 . VAL 59 59 27599 1 . GLN 60 60 27599 1 . LEU 61 61 27599 1 . TRP 62 62 27599 1 . VAL 63 63 27599 1 . ASP 64 64 27599 1 . SER 65 65 27599 1 . THR 66 66 27599 1 . PRO 67 67 27599 1 . PRO 68 68 27599 1 . PRO 69 69 27599 1 . GLY 70 70 27599 1 . THR 71 71 27599 1 . ARG 72 72 27599 1 . VAL 73 73 27599 1 . ARG 74 74 27599 1 . ALA 75 75 27599 1 . MET 76 76 27599 1 . ALA 77 77 27599 1 . ILE 78 78 27599 1 . TYR 79 79 27599 1 . LYS 80 80 27599 1 . GLN 81 81 27599 1 . SER 82 82 27599 1 . GLN 83 83 27599 1 . HIS 84 84 27599 1 . MET 85 85 27599 1 . THR 86 86 27599 1 . GLU 87 87 27599 1 . VAL 88 88 27599 1 . VAL 89 89 27599 1 . ARG 90 90 27599 1 . ARG 91 91 27599 1 . CYS 92 92 27599 1 . PRO 93 93 27599 1 . HIS 94 94 27599 1 . HIS 95 95 27599 1 . GLU 96 96 27599 1 . ARG 97 97 27599 1 . SER 98 98 27599 1 . SER 99 99 27599 1 . ASP 100 100 27599 1 . SER 101 101 27599 1 . ASP 102 102 27599 1 . GLY 103 103 27599 1 . LEU 104 104 27599 1 . ALA 105 105 27599 1 . PRO 106 106 27599 1 . PRO 107 107 27599 1 . GLN 108 108 27599 1 . HIS 109 109 27599 1 . LEU 110 110 27599 1 . ILE 111 111 27599 1 . ARG 112 112 27599 1 . VAL 113 113 27599 1 . GLU 114 114 27599 1 . GLY 115 115 27599 1 . ASN 116 116 27599 1 . LEU 117 117 27599 1 . ARG 118 118 27599 1 . ALA 119 119 27599 1 . GLU 120 120 27599 1 . TYR 121 121 27599 1 . LEU 122 122 27599 1 . ASP 123 123 27599 1 . ASP 124 124 27599 1 . ARG 125 125 27599 1 . ASN 126 126 27599 1 . THR 127 127 27599 1 . PHE 128 128 27599 1 . ARG 129 129 27599 1 . HIS 130 130 27599 1 . SER 131 131 27599 1 . VAL 132 132 27599 1 . VAL 133 133 27599 1 . VAL 134 134 27599 1 . PRO 135 135 27599 1 . TYR 136 136 27599 1 . GLU 137 137 27599 1 . PRO 138 138 27599 1 . PRO 139 139 27599 1 . GLU 140 140 27599 1 . VAL 141 141 27599 1 . GLY 142 142 27599 1 . SER 143 143 27599 1 . ASP 144 144 27599 1 . SER 145 145 27599 1 . THR 146 146 27599 1 . THR 147 147 27599 1 . ILE 148 148 27599 1 . HIS 149 149 27599 1 . TYR 150 150 27599 1 . ASN 151 151 27599 1 . TYR 152 152 27599 1 . MET 153 153 27599 1 . CYS 154 154 27599 1 . TYR 155 155 27599 1 . SER 156 156 27599 1 . SER 157 157 27599 1 . CYS 158 158 27599 1 . MET 159 159 27599 1 . GLY 160 160 27599 1 . GLY 161 161 27599 1 . MET 162 162 27599 1 . ASN 163 163 27599 1 . ARG 164 164 27599 1 . ARG 165 165 27599 1 . PRO 166 166 27599 1 . ILE 167 167 27599 1 . LEU 168 168 27599 1 . THR 169 169 27599 1 . ILE 170 170 27599 1 . ILE 171 171 27599 1 . THR 172 172 27599 1 . LEU 173 173 27599 1 . GLU 174 174 27599 1 . ASP 175 175 27599 1 . SER 176 176 27599 1 . SER 177 177 27599 1 . GLY 178 178 27599 1 . ASN 179 179 27599 1 . LEU 180 180 27599 1 . LEU 181 181 27599 1 . GLY 182 182 27599 1 . ARG 183 183 27599 1 . ASP 184 184 27599 1 . SER 185 185 27599 1 . PHE 186 186 27599 1 . GLU 187 187 27599 1 . VAL 188 188 27599 1 . ARG 189 189 27599 1 . VAL 190 190 27599 1 . SER 191 191 27599 1 . ALA 192 192 27599 1 . SER 193 193 27599 1 . PRO 194 194 27599 1 . GLY 195 195 27599 1 . ARG 196 196 27599 1 . ASP 197 197 27599 1 . ARG 198 198 27599 1 . ARG 199 199 27599 1 . THR 200 200 27599 1 . GLU 201 201 27599 1 . GLU 202 202 27599 1 . GLU 203 203 27599 1 . ASN 204 204 27599 1 . LEU 205 205 27599 1 . ARG 206 206 27599 1 . LYS 207 207 27599 1 . LYS 208 208 27599 1 . GLY 209 209 27599 1 . GLU 210 210 27599 1 . PRO 211 211 27599 1 . HIS 212 212 27599 1 . HIS 213 213 27599 1 . GLU 214 214 27599 1 . LEU 215 215 27599 1 . PRO 216 216 27599 1 . PRO 217 217 27599 1 . GLY 218 218 27599 1 . SER 219 219 27599 1 . THR 220 220 27599 1 . LYS 221 221 27599 1 . ARG 222 222 27599 1 . ALA 223 223 27599 1 . LEU 224 224 27599 1 . PRO 225 225 27599 1 . ASN 226 226 27599 1 . ASN 227 227 27599 1 . THR 228 228 27599 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27599 _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 $p53(DBD)_super-stable_C5xS . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 27599 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 27599 _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 $p53(DBD)_super-stable_C5xS . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET21 . . . 27599 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27599 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '300 micromolar 15N, 13C, 2H labeled p53(88-312) super-stable and C5xS' _Sample.Aggregate_sample_number . _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 'p53(DBD) super-stable C5xS' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $p53(DBD)_super-stable_C5xS . . 300 . . uM . . . . 27599 1 2 Tris 'natural abundance' . . . . . . 20 . . mM . . . . 27599 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 27599 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 27599 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 27599 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details '20mM Tris, pH 7.0, 150mM NaCl, 2mM DTT' 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' 170 . mM 27599 1 pH 7.0 . pH 27599 1 pressure 1 . atm 27599 1 temperature 298 . K 27599 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 27599 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 27599 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27599 1 . collection 27599 1 . 'data analysis' 27599 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27599 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'Cold-probe equipped' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 27599 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 DRX . 800 'Cold-probe equipped' . . 27599 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 27599 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27599 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27599 1 3 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27599 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27599 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27599 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 27599 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details 'Referenced to external DSS sample.' 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 external indirect 0.251449530 . . . . . 27599 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 27599 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 27599 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 27599 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27599 1 2 '3D HNCACB' . . . 27599 1 3 '3D HN(CO)CACB' . . . 27599 1 4 '3D HNCA' . . . 27599 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 1 $NMRView . . 27599 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 14 14 PRO CA C 13 61.754 0.1 . 1 . . . . . 98 PRO CA . 27599 1 2 . 1 1 14 14 PRO CB C 13 30.986 0.1 . 1 . . . . . 98 PRO CB . 27599 1 3 . 1 1 15 15 SER H H 1 8.362 0.01 . 1 . . . . . 99 SER H . 27599 1 4 . 1 1 15 15 SER CA C 13 57.877 0.1 . 1 . . . . . 99 SER CA . 27599 1 5 . 1 1 15 15 SER CB C 13 63.239 0.1 . 1 . . . . . 99 SER CB . 27599 1 6 . 1 1 15 15 SER N N 15 114.490 0.01 . 1 . . . . . 99 SER N . 27599 1 7 . 1 1 16 16 GLN H H 1 8.527 0.01 . 1 . . . . . 100 GLN H . 27599 1 8 . 1 1 16 16 GLN CA C 13 53.835 0.1 . 1 . . . . . 100 GLN CA . 27599 1 9 . 1 1 16 16 GLN CB C 13 29.254 0.1 . 1 . . . . . 100 GLN CB . 27599 1 10 . 1 1 16 16 GLN N N 15 120.622 0.01 . 1 . . . . . 100 GLN N . 27599 1 11 . 1 1 17 17 LYS H H 1 7.792 0.01 . 1 . . . . . 101 LYS H . 27599 1 12 . 1 1 17 17 LYS CA C 13 56.704 0.1 . 1 . . . . . 101 LYS CA . 27599 1 13 . 1 1 17 17 LYS CB C 13 31.907 0.1 . 1 . . . . . 101 LYS CB . 27599 1 14 . 1 1 17 17 LYS N N 15 123.096 0.01 . 1 . . . . . 101 LYS N . 27599 1 15 . 1 1 18 18 THR H H 1 8.814 0.01 . 1 . . . . . 102 THR H . 27599 1 16 . 1 1 18 18 THR CA C 13 64.311 0.1 . 1 . . . . . 102 THR CA . 27599 1 17 . 1 1 18 18 THR CB C 13 68.435 0.1 . 1 . . . . . 102 THR CB . 27599 1 18 . 1 1 18 18 THR N N 15 124.772 0.01 . 1 . . . . . 102 THR N . 27599 1 19 . 1 1 19 19 TYR H H 1 9.305 0.01 . 1 . . . . . 103 TYR H . 27599 1 20 . 1 1 19 19 TYR CA C 13 55.923 0.1 . 1 . . . . . 103 TYR CA . 27599 1 21 . 1 1 19 19 TYR CB C 13 39.769 0.1 . 1 . . . . . 103 TYR CB . 27599 1 22 . 1 1 19 19 TYR N N 15 127.728 0.01 . 1 . . . . . 103 TYR N . 27599 1 23 . 1 1 20 20 GLN H H 1 9.208 0.01 . 1 . . . . . 104 GLN H . 27599 1 24 . 1 1 20 20 GLN CA C 13 57.902 0.1 . 1 . . . . . 104 GLN CA . 27599 1 25 . 1 1 20 20 GLN CB C 13 27.930 0.1 . 1 . . . . . 104 GLN CB . 27599 1 26 . 1 1 20 20 GLN N N 15 127.920 0.01 . 1 . . . . . 104 GLN N . 27599 1 27 . 1 1 21 21 GLY H H 1 7.345 0.01 . 1 . . . . . 105 GLY H . 27599 1 28 . 1 1 21 21 GLY CA C 13 44.762 0.1 . 1 . . . . . 105 GLY CA . 27599 1 29 . 1 1 21 21 GLY N N 15 104.645 0.01 . 1 . . . . . 105 GLY N . 27599 1 30 . 1 1 22 22 SER H H 1 9.272 0.01 . 1 . . . . . 106 SER H . 27599 1 31 . 1 1 22 22 SER CA C 13 60.104 0.1 . 1 . . . . . 106 SER CA . 27599 1 32 . 1 1 22 22 SER CB C 13 62.661 0.1 . 1 . . . . . 106 SER CB . 27599 1 33 . 1 1 22 22 SER N N 15 116.639 0.01 . 1 . . . . . 106 SER N . 27599 1 34 . 1 1 23 23 TYR H H 1 8.672 0.01 . 1 . . . . . 107 TYR H . 27599 1 35 . 1 1 23 23 TYR CA C 13 57.465 0.1 . 1 . . . . . 107 TYR CA . 27599 1 36 . 1 1 23 23 TYR CB C 13 34.863 0.1 . 1 . . . . . 107 TYR CB . 27599 1 37 . 1 1 23 23 TYR N N 15 117.224 0.01 . 1 . . . . . 107 TYR N . 27599 1 38 . 1 1 24 24 GLY H H 1 7.439 0.01 . 1 . . . . . 108 GLY H . 27599 1 39 . 1 1 24 24 GLY CA C 13 47.566 0.1 . 1 . . . . . 108 GLY CA . 27599 1 40 . 1 1 24 24 GLY N N 15 109.880 0.01 . 1 . . . . . 108 GLY N . 27599 1 41 . 1 1 25 25 PHE H H 1 8.295 0.01 . 1 . . . . . 109 PHE H . 27599 1 42 . 1 1 25 25 PHE CA C 13 57.217 0.1 . 1 . . . . . 109 PHE CA . 27599 1 43 . 1 1 25 25 PHE CB C 13 39.895 0.1 . 1 . . . . . 109 PHE CB . 27599 1 44 . 1 1 25 25 PHE N N 15 119.699 0.01 . 1 . . . . . 109 PHE N . 27599 1 45 . 1 1 26 26 ARG H H 1 8.493 0.01 . 1 . . . . . 110 ARG H . 27599 1 46 . 1 1 26 26 ARG CA C 13 54.743 0.1 . 1 . . . . . 110 ARG CA . 27599 1 47 . 1 1 26 26 ARG CB C 13 31.234 0.1 . 1 . . . . . 110 ARG CB . 27599 1 48 . 1 1 26 26 ARG N N 15 124.463 0.01 . 1 . . . . . 110 ARG N . 27599 1 49 . 1 1 27 27 LEU H H 1 8.478 0.01 . 1 . . . . . 111 LEU H . 27599 1 50 . 1 1 27 27 LEU CA C 13 52.350 0.1 . 1 . . . . . 111 LEU CA . 27599 1 51 . 1 1 27 27 LEU CB C 13 42.535 0.1 . 1 . . . . . 111 LEU CB . 27599 1 52 . 1 1 27 27 LEU N N 15 117.521 0.01 . 1 . . . . . 111 LEU N . 27599 1 53 . 1 1 28 28 GLY H H 1 8.599 0.01 . 1 . . . . . 112 GLY H . 27599 1 54 . 1 1 28 28 GLY CA C 13 43.689 0.1 . 1 . . . . . 112 GLY CA . 27599 1 55 . 1 1 28 28 GLY N N 15 107.141 0.01 . 1 . . . . . 112 GLY N . 27599 1 56 . 1 1 29 29 PHE H H 1 7.945 0.01 . 1 . . . . . 113 PHE H . 27599 1 57 . 1 1 29 29 PHE CA C 13 56.227 0.1 . 1 . . . . . 113 PHE CA . 27599 1 58 . 1 1 29 29 PHE CB C 13 41.875 0.1 . 1 . . . . . 113 PHE CB . 27599 1 59 . 1 1 29 29 PHE N N 15 115.574 0.01 . 1 . . . . . 113 PHE N . 27599 1 60 . 1 1 30 30 LEU H H 1 8.925 0.01 . 1 . . . . . 114 LEU H . 27599 1 61 . 1 1 30 30 LEU CA C 13 54.291 0.1 . 1 . . . . . 114 LEU CA . 27599 1 62 . 1 1 30 30 LEU CB C 13 41.601 0.1 . 1 . . . . . 114 LEU CB . 27599 1 63 . 1 1 30 30 LEU N N 15 122.661 0.01 . 1 . . . . . 114 LEU N . 27599 1 64 . 1 1 33 33 GLY CA C 13 44.597 0.1 . 1 . . . . . 117 GLY CA . 27599 1 65 . 1 1 34 34 THR H H 1 8.313 0.01 . 1 . . . . . 118 THR H . 27599 1 66 . 1 1 34 34 THR CA C 13 60.352 0.1 . 1 . . . . . 118 THR CA . 27599 1 67 . 1 1 34 34 THR CB C 13 69.178 0.1 . 1 . . . . . 118 THR CB . 27599 1 68 . 1 1 34 34 THR N N 15 110.567 0.01 . 1 . . . . . 118 THR N . 27599 1 69 . 1 1 36 36 LYS CA C 13 62.361 0.1 . 1 . . . . . 120 LYS CA . 27599 1 70 . 1 1 36 36 LYS CB C 13 30.891 0.1 . 1 . . . . . 120 LYS CB . 27599 1 71 . 1 1 37 37 SER H H 1 8.199 0.01 . 1 . . . . . 121 SER H . 27599 1 72 . 1 1 37 37 SER CA C 13 57.306 0.1 . 1 . . . . . 121 SER CA . 27599 1 73 . 1 1 37 37 SER CB C 13 63.429 0.1 . 1 . . . . . 121 SER CB . 27599 1 74 . 1 1 37 37 SER N N 15 115.994 0.01 . 1 . . . . . 121 SER N . 27599 1 75 . 1 1 38 38 VAL H H 1 7.988 0.01 . 1 . . . . . 122 VAL H . 27599 1 76 . 1 1 38 38 VAL CA C 13 61.861 0.1 . 1 . . . . . 122 VAL CA . 27599 1 77 . 1 1 38 38 VAL CB C 13 31.811 0.1 . 1 . . . . . 122 VAL CB . 27599 1 78 . 1 1 38 38 VAL N N 15 121.841 0.01 . 1 . . . . . 122 VAL N . 27599 1 79 . 1 1 39 39 THR H H 1 8.691 0.01 . 1 . . . . . 123 THR H . 27599 1 80 . 1 1 39 39 THR CA C 13 62.674 0.1 . 1 . . . . . 123 THR CA . 27599 1 81 . 1 1 39 39 THR CB C 13 68.848 0.1 . 1 . . . . . 123 THR CB . 27599 1 82 . 1 1 39 39 THR N N 15 115.187 0.01 . 1 . . . . . 123 THR N . 27599 1 83 . 1 1 40 40 SER H H 1 7.507 0.01 . 1 . . . . . 124 SER H . 27599 1 84 . 1 1 40 40 SER CA C 13 57.712 0.1 . 1 . . . . . 124 SER CA . 27599 1 85 . 1 1 40 40 SER CB C 13 64.971 0.1 . 1 . . . . . 124 SER CB . 27599 1 86 . 1 1 40 40 SER N N 15 113.750 0.01 . 1 . . . . . 124 SER N . 27599 1 87 . 1 1 41 41 THR H H 1 9.507 0.01 . 1 . . . . . 125 THR H . 27599 1 88 . 1 1 41 41 THR CA C 13 59.774 0.1 . 1 . . . . . 125 THR CA . 27599 1 89 . 1 1 41 41 THR CB C 13 68.188 0.1 . 1 . . . . . 125 THR CB . 27599 1 90 . 1 1 41 41 THR N N 15 117.600 0.01 . 1 . . . . . 125 THR N . 27599 1 91 . 1 1 42 42 TYR H H 1 8.697 0.01 . 1 . . . . . 126 TYR H . 27599 1 92 . 1 1 42 42 TYR CA C 13 55.650 0.1 . 1 . . . . . 126 TYR CA . 27599 1 93 . 1 1 42 42 TYR CB C 13 40.307 0.1 . 1 . . . . . 126 TYR CB . 27599 1 94 . 1 1 42 42 TYR N N 15 130.527 0.01 . 1 . . . . . 126 TYR N . 27599 1 95 . 1 1 43 43 SER H H 1 8.473 0.01 . 1 . . . . . 127 SER H . 27599 1 96 . 1 1 43 43 SER CA C 13 52.928 0.1 . 1 . . . . . 127 SER CA . 27599 1 97 . 1 1 43 43 SER CB C 13 64.228 0.1 . 1 . . . . . 127 SER CB . 27599 1 98 . 1 1 43 43 SER N N 15 119.836 0.01 . 1 . . . . . 127 SER N . 27599 1 99 . 1 1 44 44 PRO CA C 13 63.898 0.1 . 1 . . . . . 128 PRO CA . 27599 1 100 . 1 1 44 44 PRO CB C 13 31.151 0.1 . 1 . . . . . 128 PRO CB . 27599 1 101 . 1 1 45 45 ALA H H 1 8.101 0.01 . 1 . . . . . 129 ALA H . 27599 1 102 . 1 1 45 45 ALA CA C 13 54.248 0.1 . 1 . . . . . 129 ALA CA . 27599 1 103 . 1 1 45 45 ALA CB C 13 17.871 0.1 . 1 . . . . . 129 ALA CB . 27599 1 104 . 1 1 45 45 ALA N N 15 118.499 0.01 . 1 . . . . . 129 ALA N . 27599 1 105 . 1 1 46 46 LEU H H 1 7.068 0.01 . 1 . . . . . 130 LEU H . 27599 1 106 . 1 1 46 46 LEU CA C 13 53.175 0.1 . 1 . . . . . 130 LEU CA . 27599 1 107 . 1 1 46 46 LEU CB C 13 43.112 0.1 . 1 . . . . . 130 LEU CB . 27599 1 108 . 1 1 46 46 LEU N N 15 112.912 0.01 . 1 . . . . . 130 LEU N . 27599 1 109 . 1 1 47 47 ASN H H 1 7.974 0.01 . 1 . . . . . 131 ASN H . 27599 1 110 . 1 1 47 47 ASN CA C 13 53.190 0.1 . 1 . . . . . 131 ASN CA . 27599 1 111 . 1 1 47 47 ASN CB C 13 36.226 0.1 . 1 . . . . . 131 ASN CB . 27599 1 112 . 1 1 47 47 ASN N N 15 119.107 0.01 . 1 . . . . . 131 ASN N . 27599 1 113 . 1 1 48 48 LYS H H 1 6.886 0.01 . 1 . . . . . 132 LYS H . 27599 1 114 . 1 1 48 48 LYS CA C 13 53.670 0.1 . 1 . . . . . 132 LYS CA . 27599 1 115 . 1 1 48 48 LYS CB C 13 38.410 0.1 . 1 . . . . . 132 LYS CB . 27599 1 116 . 1 1 48 48 LYS N N 15 117.918 0.01 . 1 . . . . . 132 LYS N . 27599 1 117 . 1 1 49 49 LEU H H 1 9.414 0.01 . 1 . . . . . 133 LEU H . 27599 1 118 . 1 1 49 49 LEU CA C 13 53.391 0.1 . 1 . . . . . 133 LEU CA . 27599 1 119 . 1 1 49 49 LEU CB C 13 44.528 0.1 . 1 . . . . . 133 LEU CB . 27599 1 120 . 1 1 49 49 LEU N N 15 130.025 0.01 . 1 . . . . . 133 LEU N . 27599 1 121 . 1 1 50 50 PHE H H 1 9.049 0.01 . 1 . . . . . 134 PHE H . 27599 1 122 . 1 1 50 50 PHE CA C 13 55.567 0.1 . 1 . . . . . 134 PHE CA . 27599 1 123 . 1 1 50 50 PHE CB C 13 38.493 0.1 . 1 . . . . . 134 PHE CB . 27599 1 124 . 1 1 50 50 PHE N N 15 125.971 0.01 . 1 . . . . . 134 PHE N . 27599 1 125 . 1 1 51 51 CYS H H 1 9.156 0.01 . 1 . . . . . 135 CYS H . 27599 1 126 . 1 1 51 51 CYS CA C 13 54.578 0.1 . 1 . . . . . 135 CYS CA . 27599 1 127 . 1 1 51 51 CYS CB C 13 33.214 0.1 . 1 . . . . . 135 CYS CB . 27599 1 128 . 1 1 51 51 CYS N N 15 118.789 0.01 . 1 . . . . . 135 CYS N . 27599 1 129 . 1 1 52 52 GLN H H 1 8.071 0.01 . 1 . . . . . 136 GLN H . 27599 1 130 . 1 1 52 52 GLN CA C 13 54.165 0.1 . 1 . . . . . 136 GLN CA . 27599 1 131 . 1 1 52 52 GLN CB C 13 30.821 0.1 . 1 . . . . . 136 GLN CB . 27599 1 132 . 1 1 52 52 GLN N N 15 117.802 0.01 . 1 . . . . . 136 GLN N . 27599 1 133 . 1 1 53 53 LEU H H 1 7.252 0.01 . 1 . . . . . 137 LEU H . 27599 1 134 . 1 1 53 53 LEU CA C 13 55.897 0.1 . 1 . . . . . 137 LEU CA . 27599 1 135 . 1 1 53 53 LEU CB C 13 41.215 0.1 . 1 . . . . . 137 LEU CB . 27599 1 136 . 1 1 53 53 LEU N N 15 122.729 0.01 . 1 . . . . . 137 LEU N . 27599 1 137 . 1 1 54 54 ALA H H 1 8.968 0.01 . 1 . . . . . 138 ALA H . 27599 1 138 . 1 1 54 54 ALA CA C 13 54.000 0.1 . 1 . . . . . 138 ALA CA . 27599 1 139 . 1 1 54 54 ALA CB C 13 16.881 0.1 . 1 . . . . . 138 ALA CB . 27599 1 140 . 1 1 54 54 ALA N N 15 124.910 0.01 . 1 . . . . . 138 ALA N . 27599 1 141 . 1 1 55 55 LYS H H 1 7.272 0.01 . 1 . . . . . 139 LYS H . 27599 1 142 . 1 1 55 55 LYS CA C 13 53.258 0.1 . 1 . . . . . 139 LYS CA . 27599 1 143 . 1 1 55 55 LYS CB C 13 33.131 0.1 . 1 . . . . . 139 LYS CB . 27599 1 144 . 1 1 55 55 LYS N N 15 116.844 0.01 . 1 . . . . . 139 LYS N . 27599 1 145 . 1 1 56 56 THR H H 1 8.153 0.01 . 1 . . . . . 140 THR H . 27599 1 146 . 1 1 56 56 THR CA C 13 65.136 0.1 . 1 . . . . . 140 THR CA . 27599 1 147 . 1 1 56 56 THR CB C 13 68.600 0.1 . 1 . . . . . 140 THR CB . 27599 1 148 . 1 1 56 56 THR N N 15 117.150 0.01 . 1 . . . . . 140 THR N . 27599 1 149 . 1 1 57 57 CYS H H 1 9.179 0.01 . 1 . . . . . 141 CYS H . 27599 1 150 . 1 1 57 57 CYS CA C 13 55.650 0.1 . 1 . . . . . 141 CYS CA . 27599 1 151 . 1 1 57 57 CYS CB C 13 27.769 0.1 . 1 . . . . . 141 CYS CB . 27599 1 152 . 1 1 57 57 CYS N N 15 125.989 0.01 . 1 . . . . . 141 CYS N . 27599 1 153 . 1 1 58 58 PRO CA C 13 61.424 0.1 . 1 . . . . . 142 PRO CA . 27599 1 154 . 1 1 58 58 PRO CB C 13 30.409 0.1 . 1 . . . . . 142 PRO CB . 27599 1 155 . 1 1 59 59 VAL H H 1 9.042 0.01 . 1 . . . . . 143 VAL H . 27599 1 156 . 1 1 59 59 VAL CA C 13 61.424 0.1 . 1 . . . . . 143 VAL CA . 27599 1 157 . 1 1 59 59 VAL CB C 13 33.544 0.1 . 1 . . . . . 143 VAL CB . 27599 1 158 . 1 1 59 59 VAL N N 15 127.271 0.01 . 1 . . . . . 143 VAL N . 27599 1 159 . 1 1 60 60 GLN H H 1 8.274 0.01 . 1 . . . . . 144 GLN H . 27599 1 160 . 1 1 60 60 GLN CA C 13 53.079 0.1 . 1 . . . . . 144 GLN CA . 27599 1 161 . 1 1 60 60 GLN CB C 13 29.267 0.1 . 1 . . . . . 144 GLN CB . 27599 1 162 . 1 1 60 60 GLN N N 15 121.287 0.01 . 1 . . . . . 144 GLN N . 27599 1 163 . 1 1 61 61 LEU H H 1 9.321 0.01 . 1 . . . . . 145 LEU H . 27599 1 164 . 1 1 61 61 LEU CA C 13 53.093 0.1 . 1 . . . . . 145 LEU CA . 27599 1 165 . 1 1 61 61 LEU CB C 13 41.050 0.1 . 1 . . . . . 145 LEU CB . 27599 1 166 . 1 1 61 61 LEU N N 15 119.628 0.01 . 1 . . . . . 145 LEU N . 27599 1 167 . 1 1 62 62 TRP H H 1 8.999 0.01 . 1 . . . . . 146 TRP H . 27599 1 168 . 1 1 62 62 TRP CA C 13 56.115 0.1 . 1 . . . . . 146 TRP CA . 27599 1 169 . 1 1 62 62 TRP CB C 13 29.216 0.1 . 1 . . . . . 146 TRP CB . 27599 1 170 . 1 1 62 62 TRP N N 15 126.657 0.01 . 1 . . . . . 146 TRP N . 27599 1 171 . 1 1 63 63 VAL H H 1 8.118 0.01 . 1 . . . . . 147 VAL H . 27599 1 172 . 1 1 63 63 VAL CA C 13 58.619 0.1 . 1 . . . . . 147 VAL CA . 27599 1 173 . 1 1 63 63 VAL CB C 13 33.956 0.1 . 1 . . . . . 147 VAL CB . 27599 1 174 . 1 1 63 63 VAL N N 15 110.572 0.01 . 1 . . . . . 147 VAL N . 27599 1 175 . 1 1 64 64 ASP H H 1 9.114 0.01 . 1 . . . . . 148 ASP H . 27599 1 176 . 1 1 64 64 ASP CA C 13 55.155 0.1 . 1 . . . . . 148 ASP CA . 27599 1 177 . 1 1 64 64 ASP CB C 13 41.215 0.1 . 1 . . . . . 148 ASP CB . 27599 1 178 . 1 1 64 64 ASP N N 15 121.690 0.01 . 1 . . . . . 148 ASP N . 27599 1 179 . 1 1 65 65 SER H H 1 7.851 0.01 . 1 . . . . . 149 SER H . 27599 1 180 . 1 1 65 65 SER CA C 13 56.557 0.1 . 1 . . . . . 149 SER CA . 27599 1 181 . 1 1 65 65 SER CB C 13 64.558 0.1 . 1 . . . . . 149 SER CB . 27599 1 182 . 1 1 65 65 SER N N 15 113.390 0.01 . 1 . . . . . 149 SER N . 27599 1 183 . 1 1 66 66 THR H H 1 8.194 0.01 . 1 . . . . . 150 THR H . 27599 1 184 . 1 1 66 66 THR CA C 13 61.375 0.1 . 1 . . . . . 150 THR CA . 27599 1 185 . 1 1 66 66 THR CB C 13 69.338 0.1 . 1 . . . . . 150 THR CB . 27599 1 186 . 1 1 66 66 THR N N 15 117.350 0.01 . 1 . . . . . 150 THR N . 27599 1 187 . 1 1 69 69 PRO CA C 13 63.239 0.1 . 1 . . . . . 153 PRO CA . 27599 1 188 . 1 1 69 69 PRO CB C 13 30.515 0.1 . 1 . . . . . 153 PRO CB . 27599 1 189 . 1 1 70 70 GLY H H 1 8.821 0.01 . 1 . . . . . 154 GLY H . 27599 1 190 . 1 1 70 70 GLY CA C 13 44.679 0.1 . 1 . . . . . 154 GLY CA . 27599 1 191 . 1 1 70 70 GLY N N 15 112.859 0.01 . 1 . . . . . 154 GLY N . 27599 1 192 . 1 1 71 71 THR H H 1 7.609 0.01 . 1 . . . . . 155 THR H . 27599 1 193 . 1 1 71 71 THR CA C 13 64.228 0.1 . 1 . . . . . 155 THR CA . 27599 1 194 . 1 1 71 71 THR CB C 13 67.940 0.1 . 1 . . . . . 155 THR CB . 27599 1 195 . 1 1 71 71 THR N N 15 117.689 0.01 . 1 . . . . . 155 THR N . 27599 1 196 . 1 1 72 72 ARG H H 1 9.663 0.01 . 1 . . . . . 156 ARG H . 27599 1 197 . 1 1 72 72 ARG CA C 13 54.687 0.1 . 1 . . . . . 156 ARG CA . 27599 1 198 . 1 1 72 72 ARG CB C 13 33.633 0.1 . 1 . . . . . 156 ARG CB . 27599 1 199 . 1 1 72 72 ARG N N 15 127.985 0.01 . 1 . . . . . 156 ARG N . 27599 1 200 . 1 1 73 73 VAL H H 1 9.097 0.01 . 1 . . . . . 157 VAL H . 27599 1 201 . 1 1 73 73 VAL CA C 13 60.269 0.1 . 1 . . . . . 157 VAL CA . 27599 1 202 . 1 1 73 73 VAL CB C 13 32.389 0.1 . 1 . . . . . 157 VAL CB . 27599 1 203 . 1 1 73 73 VAL N N 15 119.817 0.01 . 1 . . . . . 157 VAL N . 27599 1 204 . 1 1 74 74 ARG H H 1 9.660 0.01 . 1 . . . . . 158 ARG H . 27599 1 205 . 1 1 74 74 ARG CA C 13 54.084 0.1 . 1 . . . . . 158 ARG CA . 27599 1 206 . 1 1 74 74 ARG CB C 13 32.141 0.1 . 1 . . . . . 158 ARG CB . 27599 1 207 . 1 1 74 74 ARG N N 15 132.775 0.01 . 1 . . . . . 158 ARG N . 27599 1 208 . 1 1 75 75 ALA H H 1 8.648 0.01 . 1 . . . . . 159 ALA H . 27599 1 209 . 1 1 75 75 ALA CA C 13 50.099 0.1 . 1 . . . . . 159 ALA CA . 27599 1 210 . 1 1 75 75 ALA CB C 13 21.233 0.1 . 1 . . . . . 159 ALA CB . 27599 1 211 . 1 1 75 75 ALA N N 15 126.712 0.01 . 1 . . . . . 159 ALA N . 27599 1 212 . 1 1 76 76 MET H H 1 8.127 0.01 . 1 . . . . . 160 MET H . 27599 1 213 . 1 1 76 76 MET CA C 13 54.000 0.1 . 1 . . . . . 160 MET CA . 27599 1 214 . 1 1 76 76 MET CB C 13 37.833 0.1 . 1 . . . . . 160 MET CB . 27599 1 215 . 1 1 76 76 MET N N 15 118.144 0.01 . 1 . . . . . 160 MET N . 27599 1 216 . 1 1 77 77 ALA H H 1 9.490 0.01 . 1 . . . . . 161 ALA H . 27599 1 217 . 1 1 77 77 ALA CA C 13 49.133 0.1 . 1 . . . . . 161 ALA CA . 27599 1 218 . 1 1 77 77 ALA CB C 13 20.676 0.1 . 1 . . . . . 161 ALA CB . 27599 1 219 . 1 1 77 77 ALA N N 15 127.161 0.01 . 1 . . . . . 161 ALA N . 27599 1 220 . 1 1 78 78 ILE H H 1 8.463 0.01 . 1 . . . . . 162 ILE H . 27599 1 221 . 1 1 78 78 ILE CA C 13 58.867 0.1 . 1 . . . . . 162 ILE CA . 27599 1 222 . 1 1 78 78 ILE CB C 13 42.122 0.1 . 1 . . . . . 162 ILE CB . 27599 1 223 . 1 1 78 78 ILE N N 15 111.281 0.01 . 1 . . . . . 162 ILE N . 27599 1 224 . 1 1 79 79 TYR H H 1 9.192 0.01 . 1 . . . . . 163 TYR H . 27599 1 225 . 1 1 79 79 TYR CA C 13 60.479 0.1 . 1 . . . . . 163 TYR CA . 27599 1 226 . 1 1 79 79 TYR CB C 13 36.657 0.1 . 1 . . . . . 163 TYR CB . 27599 1 227 . 1 1 79 79 TYR N N 15 122.189 0.01 . 1 . . . . . 163 TYR N . 27599 1 228 . 1 1 80 80 LYS H H 1 7.654 0.01 . 1 . . . . . 164 LYS H . 27599 1 229 . 1 1 80 80 LYS CA C 13 57.300 0.1 . 1 . . . . . 164 LYS CA . 27599 1 230 . 1 1 80 80 LYS CB C 13 34.781 0.1 . 1 . . . . . 164 LYS CB . 27599 1 231 . 1 1 80 80 LYS N N 15 118.289 0.01 . 1 . . . . . 164 LYS N . 27599 1 232 . 1 1 81 81 GLN H H 1 9.024 0.01 . 1 . . . . . 165 GLN H . 27599 1 233 . 1 1 81 81 GLN CA C 13 55.320 0.1 . 1 . . . . . 165 GLN CA . 27599 1 234 . 1 1 81 81 GLN CB C 13 28.759 0.1 . 1 . . . . . 165 GLN CB . 27599 1 235 . 1 1 81 81 GLN N N 15 116.187 0.01 . 1 . . . . . 165 GLN N . 27599 1 236 . 1 1 83 83 GLN CA C 13 57.465 0.1 . 1 . . . . . 167 GLN CA . 27599 1 237 . 1 1 83 83 GLN CB C 13 26.450 0.1 . 1 . . . . . 167 GLN CB . 27599 1 238 . 1 1 84 84 HIS H H 1 7.629 0.01 . 1 . . . . . 168 HIS H . 27599 1 239 . 1 1 84 84 HIS CA C 13 54.578 0.1 . 1 . . . . . 168 HIS CA . 27599 1 240 . 1 1 84 84 HIS CB C 13 31.151 0.1 . 1 . . . . . 168 HIS CB . 27599 1 241 . 1 1 84 84 HIS N N 15 116.174 0.01 . 1 . . . . . 168 HIS N . 27599 1 242 . 1 1 85 85 MET H H 1 7.452 0.01 . 1 . . . . . 169 MET H . 27599 1 243 . 1 1 85 85 MET CA C 13 60.269 0.1 . 1 . . . . . 169 MET CA . 27599 1 244 . 1 1 85 85 MET CB C 13 32.636 0.1 . 1 . . . . . 169 MET CB . 27599 1 245 . 1 1 85 85 MET N N 15 118.458 0.01 . 1 . . . . . 169 MET N . 27599 1 246 . 1 1 86 86 THR H H 1 8.452 0.01 . 1 . . . . . 170 THR H . 27599 1 247 . 1 1 86 86 THR CA C 13 62.826 0.1 . 1 . . . . . 170 THR CA . 27599 1 248 . 1 1 86 86 THR CB C 13 68.270 0.1 . 1 . . . . . 170 THR CB . 27599 1 249 . 1 1 86 86 THR N N 15 109.708 0.01 . 1 . . . . . 170 THR N . 27599 1 250 . 1 1 87 87 GLU H H 1 8.070 0.01 . 1 . . . . . 171 GLU H . 27599 1 251 . 1 1 87 87 GLU CA C 13 55.726 0.1 . 1 . . . . . 171 GLU CA . 27599 1 252 . 1 1 87 87 GLU CB C 13 29.042 0.1 . 1 . . . . . 171 GLU CB . 27599 1 253 . 1 1 87 87 GLU N N 15 123.857 0.01 . 1 . . . . . 171 GLU N . 27599 1 254 . 1 1 88 88 VAL H H 1 9.035 0.01 . 1 . . . . . 172 VAL H . 27599 1 255 . 1 1 88 88 VAL CA C 13 63.666 0.1 . 1 . . . . . 172 VAL CA . 27599 1 256 . 1 1 88 88 VAL CB C 13 31.267 0.1 . 1 . . . . . 172 VAL CB . 27599 1 257 . 1 1 88 88 VAL N N 15 127.966 0.01 . 1 . . . . . 172 VAL N . 27599 1 258 . 1 1 89 89 VAL H H 1 8.608 0.01 . 1 . . . . . 173 VAL H . 27599 1 259 . 1 1 89 89 VAL CA C 13 62.989 0.1 . 1 . . . . . 173 VAL CA . 27599 1 260 . 1 1 89 89 VAL CB C 13 30.060 0.1 . 1 . . . . . 173 VAL CB . 27599 1 261 . 1 1 89 89 VAL N N 15 129.888 0.01 . 1 . . . . . 173 VAL N . 27599 1 262 . 1 1 90 90 ARG H H 1 7.769 0.01 . 1 . . . . . 174 ARG H . 27599 1 263 . 1 1 90 90 ARG CA C 13 53.918 0.1 . 1 . . . . . 174 ARG CA . 27599 1 264 . 1 1 90 90 ARG CB C 13 32.059 0.1 . 1 . . . . . 174 ARG CB . 27599 1 265 . 1 1 90 90 ARG N N 15 125.715 0.01 . 1 . . . . . 174 ARG N . 27599 1 266 . 1 1 91 91 ARG H H 1 7.854 0.01 . 1 . . . . . 175 ARG H . 27599 1 267 . 1 1 91 91 ARG CA C 13 56.145 0.1 . 1 . . . . . 175 ARG CA . 27599 1 268 . 1 1 91 91 ARG CB C 13 31.729 0.1 . 1 . . . . . 175 ARG CB . 27599 1 269 . 1 1 91 91 ARG N N 15 116.212 0.01 . 1 . . . . . 175 ARG N . 27599 1 270 . 1 1 98 98 SER H H 1 7.827 0.01 . 1 . . . . . 182 SER H . 27599 1 271 . 1 1 98 98 SER CA C 13 57.217 0.1 . 1 . . . . . 182 SER CA . 27599 1 272 . 1 1 98 98 SER CB C 13 63.156 0.1 . 1 . . . . . 182 SER CB . 27599 1 273 . 1 1 98 98 SER N N 15 112.682 0.01 . 1 . . . . . 182 SER N . 27599 1 274 . 1 1 99 99 SER H H 1 7.946 0.01 . 1 . . . . . 183 SER H . 27599 1 275 . 1 1 99 99 SER CA C 13 57.877 0.1 . 1 . . . . . 183 SER CA . 27599 1 276 . 1 1 99 99 SER CB C 13 63.074 0.1 . 1 . . . . . 183 SER CB . 27599 1 277 . 1 1 99 99 SER N N 15 108.571 0.01 . 1 . . . . . 183 SER N . 27599 1 278 . 1 1 100 100 ASP H H 1 8.085 0.01 . 1 . . . . . 184 ASP H . 27599 1 279 . 1 1 100 100 ASP CA C 13 52.845 0.1 . 1 . . . . . 184 ASP CA . 27599 1 280 . 1 1 100 100 ASP CB C 13 40.307 0.1 . 1 . . . . . 184 ASP CB . 27599 1 281 . 1 1 100 100 ASP N N 15 121.398 0.01 . 1 . . . . . 184 ASP N . 27599 1 282 . 1 1 101 101 SER H H 1 8.343 0.01 . 1 . . . . . 185 SER H . 27599 1 283 . 1 1 101 101 SER CA C 13 58.418 0.1 . 1 . . . . . 185 SER CA . 27599 1 284 . 1 1 101 101 SER CB C 13 63.368 0.1 . 1 . . . . . 185 SER CB . 27599 1 285 . 1 1 101 101 SER N N 15 115.997 0.01 . 1 . . . . . 185 SER N . 27599 1 286 . 1 1 102 102 ASP H H 1 8.202 0.01 . 1 . . . . . 186 ASP H . 27599 1 287 . 1 1 102 102 ASP CA C 13 53.258 0.1 . 1 . . . . . 186 ASP CA . 27599 1 288 . 1 1 102 102 ASP CB C 13 40.470 0.1 . 1 . . . . . 186 ASP CB . 27599 1 289 . 1 1 102 102 ASP N N 15 124.021 0.01 . 1 . . . . . 186 ASP N . 27599 1 290 . 1 1 103 103 GLY H H 1 8.386 0.01 . 1 . . . . . 187 GLY H . 27599 1 291 . 1 1 103 103 GLY CA C 13 44.844 0.1 . 1 . . . . . 187 GLY CA . 27599 1 292 . 1 1 103 103 GLY N N 15 108.967 0.01 . 1 . . . . . 187 GLY N . 27599 1 293 . 1 1 104 104 LEU H H 1 8.253 0.01 . 1 . . . . . 188 LEU H . 27599 1 294 . 1 1 104 104 LEU CA C 13 55.485 0.1 . 1 . . . . . 188 LEU CA . 27599 1 295 . 1 1 104 104 LEU CB C 13 43.112 0.1 . 1 . . . . . 188 LEU CB . 27599 1 296 . 1 1 104 104 LEU N N 15 121.997 0.01 . 1 . . . . . 188 LEU N . 27599 1 297 . 1 1 105 105 ALA H H 1 8.766 0.01 . 1 . . . . . 189 ALA H . 27599 1 298 . 1 1 105 105 ALA CA C 13 49.133 0.1 . 1 . . . . . 189 ALA CA . 27599 1 299 . 1 1 105 105 ALA CB C 13 17.294 0.1 . 1 . . . . . 189 ALA CB . 27599 1 300 . 1 1 105 105 ALA N N 15 124.032 0.01 . 1 . . . . . 189 ALA N . 27599 1 301 . 1 1 107 107 PRO CA C 13 64.228 0.1 . 1 . . . . . 191 PRO CA . 27599 1 302 . 1 1 107 107 PRO CB C 13 32.966 0.1 . 1 . . . . . 191 PRO CB . 27599 1 303 . 1 1 108 108 GLN H H 1 8.497 0.01 . 1 . . . . . 192 GLN H . 27599 1 304 . 1 1 108 108 GLN CA C 13 56.970 0.1 . 1 . . . . . 192 GLN CA . 27599 1 305 . 1 1 108 108 GLN CB C 13 27.687 0.1 . 1 . . . . . 192 GLN CB . 27599 1 306 . 1 1 108 108 GLN N N 15 113.043 0.01 . 1 . . . . . 192 GLN N . 27599 1 307 . 1 1 109 109 HIS H H 1 7.272 0.01 . 1 . . . . . 193 HIS H . 27599 1 308 . 1 1 109 109 HIS CA C 13 57.135 0.1 . 1 . . . . . 193 HIS CA . 27599 1 309 . 1 1 109 109 HIS CB C 13 30.821 0.1 . 1 . . . . . 193 HIS CB . 27599 1 310 . 1 1 109 109 HIS N N 15 118.030 0.01 . 1 . . . . . 193 HIS N . 27599 1 311 . 1 1 110 110 LEU CA C 13 57.434 0.1 . 1 . . . . . 194 LEU CA . 27599 1 312 . 1 1 110 110 LEU CB C 13 41.385 0.1 . 1 . . . . . 194 LEU CB . 27599 1 313 . 1 1 111 111 ILE H H 1 7.782 0.01 . 1 . . . . . 195 ILE H . 27599 1 314 . 1 1 111 111 ILE CA C 13 60.517 0.1 . 1 . . . . . 195 ILE CA . 27599 1 315 . 1 1 111 111 ILE CB C 13 37.585 0.1 . 1 . . . . . 195 ILE CB . 27599 1 316 . 1 1 111 111 ILE N N 15 115.299 0.01 . 1 . . . . . 195 ILE N . 27599 1 317 . 1 1 112 112 ARG H H 1 8.725 0.01 . 1 . . . . . 196 ARG H . 27599 1 318 . 1 1 112 112 ARG CA C 13 53.175 0.1 . 1 . . . . . 196 ARG CA . 27599 1 319 . 1 1 112 112 ARG CB C 13 33.626 0.1 . 1 . . . . . 196 ARG CB . 27599 1 320 . 1 1 112 112 ARG N N 15 121.452 0.01 . 1 . . . . . 196 ARG N . 27599 1 321 . 1 1 113 113 VAL H H 1 7.712 0.01 . 1 . . . . . 197 VAL H . 27599 1 322 . 1 1 113 113 VAL CA C 13 60.352 0.1 . 1 . . . . . 197 VAL CA . 27599 1 323 . 1 1 113 113 VAL CB C 13 32.636 0.1 . 1 . . . . . 197 VAL CB . 27599 1 324 . 1 1 113 113 VAL N N 15 118.143 0.01 . 1 . . . . . 197 VAL N . 27599 1 325 . 1 1 114 114 GLU H H 1 8.612 0.01 . 1 . . . . . 198 GLU H . 27599 1 326 . 1 1 114 114 GLU CA C 13 54.321 0.1 . 1 . . . . . 198 GLU CA . 27599 1 327 . 1 1 114 114 GLU CB C 13 30.473 0.1 . 1 . . . . . 198 GLU CB . 27599 1 328 . 1 1 114 114 GLU N N 15 129.110 0.01 . 1 . . . . . 198 GLU N . 27599 1 329 . 1 1 115 115 GLY H H 1 8.819 0.01 . 1 . . . . . 199 GLY H . 27599 1 330 . 1 1 115 115 GLY CA C 13 46.164 0.1 . 1 . . . . . 199 GLY CA . 27599 1 331 . 1 1 115 115 GLY N N 15 112.047 0.01 . 1 . . . . . 199 GLY N . 27599 1 332 . 1 1 116 116 ASN H H 1 7.989 0.01 . 1 . . . . . 200 ASN H . 27599 1 333 . 1 1 116 116 ASN CA C 13 51.938 0.1 . 1 . . . . . 200 ASN CA . 27599 1 334 . 1 1 116 116 ASN CB C 13 39.318 0.1 . 1 . . . . . 200 ASN CB . 27599 1 335 . 1 1 116 116 ASN N N 15 116.068 0.01 . 1 . . . . . 200 ASN N . 27599 1 336 . 1 1 117 117 LEU H H 1 8.974 0.01 . 1 . . . . . 201 LEU H . 27599 1 337 . 1 1 117 117 LEU CA C 13 55.941 0.1 . 1 . . . . . 201 LEU CA . 27599 1 338 . 1 1 117 117 LEU CB C 13 40.265 0.1 . 1 . . . . . 201 LEU CB . 27599 1 339 . 1 1 117 117 LEU N N 15 126.840 0.01 . 1 . . . . . 201 LEU N . 27599 1 340 . 1 1 118 118 ARG H H 1 8.459 0.01 . 1 . . . . . 202 ARG H . 27599 1 341 . 1 1 118 118 ARG CA C 13 54.776 0.1 . 1 . . . . . 202 ARG CA . 27599 1 342 . 1 1 118 118 ARG CB C 13 28.267 0.1 . 1 . . . . . 202 ARG CB . 27599 1 343 . 1 1 118 118 ARG N N 15 117.070 0.01 . 1 . . . . . 202 ARG N . 27599 1 344 . 1 1 119 119 ALA H H 1 6.953 0.01 . 1 . . . . . 203 ALA H . 27599 1 345 . 1 1 119 119 ALA CA C 13 51.938 0.1 . 1 . . . . . 203 ALA CA . 27599 1 346 . 1 1 119 119 ALA CB C 13 17.871 0.1 . 1 . . . . . 203 ALA CB . 27599 1 347 . 1 1 119 119 ALA N N 15 120.757 0.01 . 1 . . . . . 203 ALA N . 27599 1 348 . 1 1 120 120 GLU H H 1 8.930 0.01 . 1 . . . . . 204 GLU H . 27599 1 349 . 1 1 120 120 GLU CA C 13 54.248 0.1 . 1 . . . . . 204 GLU CA . 27599 1 350 . 1 1 120 120 GLU CB C 13 31.764 0.1 . 1 . . . . . 204 GLU CB . 27599 1 351 . 1 1 120 120 GLU N N 15 122.061 0.01 . 1 . . . . . 204 GLU N . 27599 1 352 . 1 1 121 121 TYR H H 1 8.821 0.01 . 1 . . . . . 205 TYR H . 27599 1 353 . 1 1 121 121 TYR CA C 13 57.712 0.1 . 1 . . . . . 205 TYR CA . 27599 1 354 . 1 1 121 121 TYR CB C 13 38.163 0.1 . 1 . . . . . 205 TYR CB . 27599 1 355 . 1 1 121 121 TYR N N 15 123.731 0.01 . 1 . . . . . 205 TYR N . 27599 1 356 . 1 1 122 122 LEU H H 1 9.371 0.01 . 1 . . . . . 206 LEU H . 27599 1 357 . 1 1 122 122 LEU CA C 13 53.835 0.1 . 1 . . . . . 206 LEU CA . 27599 1 358 . 1 1 122 122 LEU CB C 13 43.607 0.1 . 1 . . . . . 206 LEU CB . 27599 1 359 . 1 1 122 122 LEU N N 15 126.621 0.01 . 1 . . . . . 206 LEU N . 27599 1 360 . 1 1 123 123 ASP H H 1 8.354 0.01 . 1 . . . . . 207 ASP H . 27599 1 361 . 1 1 123 123 ASP CA C 13 51.955 0.1 . 1 . . . . . 207 ASP CA . 27599 1 362 . 1 1 123 123 ASP CB C 13 40.724 0.1 . 1 . . . . . 207 ASP CB . 27599 1 363 . 1 1 123 123 ASP N N 15 122.520 0.01 . 1 . . . . . 207 ASP N . 27599 1 364 . 1 1 124 124 ASP H H 1 8.241 0.01 . 1 . . . . . 208 ASP H . 27599 1 365 . 1 1 124 124 ASP CA C 13 55.131 0.1 . 1 . . . . . 208 ASP CA . 27599 1 366 . 1 1 124 124 ASP CB C 13 43.003 0.1 . 1 . . . . . 208 ASP CB . 27599 1 367 . 1 1 124 124 ASP N N 15 123.638 0.01 . 1 . . . . . 208 ASP N . 27599 1 368 . 1 1 125 125 ARG H H 1 9.125 0.01 . 1 . . . . . 209 ARG H . 27599 1 369 . 1 1 125 125 ARG CA C 13 57.417 0.1 . 1 . . . . . 209 ARG CA . 27599 1 370 . 1 1 125 125 ARG CB C 13 29.083 0.1 . 1 . . . . . 209 ARG CB . 27599 1 371 . 1 1 125 125 ARG N N 15 127.820 0.01 . 1 . . . . . 209 ARG N . 27599 1 372 . 1 1 126 126 ASN H H 1 8.764 0.01 . 1 . . . . . 210 ASN H . 27599 1 373 . 1 1 126 126 ASN CA C 13 54.248 0.1 . 1 . . . . . 210 ASN CA . 27599 1 374 . 1 1 126 126 ASN CB C 13 39.400 0.1 . 1 . . . . . 210 ASN CB . 27599 1 375 . 1 1 126 126 ASN N N 15 114.410 0.01 . 1 . . . . . 210 ASN N . 27599 1 376 . 1 1 127 127 THR H H 1 8.727 0.01 . 1 . . . . . 211 THR H . 27599 1 377 . 1 1 127 127 THR CA C 13 61.259 0.1 . 1 . . . . . 211 THR CA . 27599 1 378 . 1 1 127 127 THR CB C 13 69.920 0.1 . 1 . . . . . 211 THR CB . 27599 1 379 . 1 1 127 127 THR N N 15 109.373 0.01 . 1 . . . . . 211 THR N . 27599 1 380 . 1 1 128 128 PHE H H 1 7.610 0.01 . 1 . . . . . 212 PHE H . 27599 1 381 . 1 1 128 128 PHE CA C 13 57.300 0.1 . 1 . . . . . 212 PHE CA . 27599 1 382 . 1 1 128 128 PHE CB C 13 36.183 0.1 . 1 . . . . . 212 PHE CB . 27599 1 383 . 1 1 128 128 PHE N N 15 113.377 0.01 . 1 . . . . . 212 PHE N . 27599 1 384 . 1 1 129 129 ARG H H 1 7.602 0.01 . 1 . . . . . 213 ARG H . 27599 1 385 . 1 1 129 129 ARG CA C 13 55.897 0.1 . 1 . . . . . 213 ARG CA . 27599 1 386 . 1 1 129 129 ARG CB C 13 29.832 0.1 . 1 . . . . . 213 ARG CB . 27599 1 387 . 1 1 129 129 ARG N N 15 115.462 0.01 . 1 . . . . . 213 ARG N . 27599 1 388 . 1 1 130 130 HIS H H 1 7.793 0.01 . 1 . . . . . 214 HIS H . 27599 1 389 . 1 1 130 130 HIS CA C 13 52.069 0.1 . 1 . . . . . 214 HIS CA . 27599 1 390 . 1 1 130 130 HIS CB C 13 31.726 0.1 . 1 . . . . . 214 HIS CB . 27599 1 391 . 1 1 130 130 HIS N N 15 122.574 0.01 . 1 . . . . . 214 HIS N . 27599 1 392 . 1 1 131 131 SER H H 1 9.283 0.01 . 1 . . . . . 215 SER H . 27599 1 393 . 1 1 131 131 SER CA C 13 58.537 0.1 . 1 . . . . . 215 SER CA . 27599 1 394 . 1 1 131 131 SER CB C 13 65.961 0.1 . 1 . . . . . 215 SER CB . 27599 1 395 . 1 1 131 131 SER N N 15 114.728 0.01 . 1 . . . . . 215 SER N . 27599 1 396 . 1 1 132 132 VAL H H 1 8.258 0.01 . 1 . . . . . 216 VAL H . 27599 1 397 . 1 1 132 132 VAL CA C 13 57.547 0.1 . 1 . . . . . 216 VAL CA . 27599 1 398 . 1 1 132 132 VAL CB C 13 32.801 0.1 . 1 . . . . . 216 VAL CB . 27599 1 399 . 1 1 132 132 VAL N N 15 114.886 0.01 . 1 . . . . . 216 VAL N . 27599 1 400 . 1 1 133 133 VAL H H 1 9.216 0.01 . 1 . . . . . 217 VAL H . 27599 1 401 . 1 1 133 133 VAL CA C 13 58.731 0.1 . 1 . . . . . 217 VAL CA . 27599 1 402 . 1 1 133 133 VAL CB C 13 34.378 0.1 . 1 . . . . . 217 VAL CB . 27599 1 403 . 1 1 133 133 VAL N N 15 130.099 0.01 . 1 . . . . . 217 VAL N . 27599 1 404 . 1 1 134 134 VAL H H 1 8.471 0.01 . 1 . . . . . 218 VAL H . 27599 1 405 . 1 1 134 134 VAL CA C 13 56.882 0.1 . 1 . . . . . 218 VAL CA . 27599 1 406 . 1 1 134 134 VAL CB C 13 32.520 0.1 . 1 . . . . . 218 VAL CB . 27599 1 407 . 1 1 134 134 VAL N N 15 117.064 0.01 . 1 . . . . . 218 VAL N . 27599 1 408 . 1 1 135 135 PRO CA C 13 62.414 0.1 . 1 . . . . . 219 PRO CA . 27599 1 409 . 1 1 135 135 PRO CB C 13 30.739 0.1 . 1 . . . . . 219 PRO CB . 27599 1 410 . 1 1 136 136 TYR H H 1 8.576 0.01 . 1 . . . . . 220 TYR H . 27599 1 411 . 1 1 136 136 TYR CA C 13 58.867 0.1 . 1 . . . . . 220 TYR CA . 27599 1 412 . 1 1 136 136 TYR CB C 13 37.338 0.1 . 1 . . . . . 220 TYR CB . 27599 1 413 . 1 1 136 136 TYR N N 15 123.814 0.01 . 1 . . . . . 220 TYR N . 27599 1 414 . 1 1 137 137 GLU H H 1 7.143 0.01 . 1 . . . . . 221 GLU H . 27599 1 415 . 1 1 137 137 GLU CA C 13 51.608 0.1 . 1 . . . . . 221 GLU CA . 27599 1 416 . 1 1 137 137 GLU CB C 13 30.162 0.1 . 1 . . . . . 221 GLU CB . 27599 1 417 . 1 1 137 137 GLU N N 15 130.565 0.01 . 1 . . . . . 221 GLU N . 27599 1 418 . 1 1 139 139 PRO CA C 13 62.068 0.1 . 1 . . . . . 223 PRO CA . 27599 1 419 . 1 1 139 139 PRO CB C 13 31.245 0.1 . 1 . . . . . 223 PRO CB . 27599 1 420 . 1 1 140 140 GLU H H 1 8.375 0.01 . 1 . . . . . 224 GLU H . 27599 1 421 . 1 1 140 140 GLU CA C 13 55.362 0.1 . 1 . . . . . 224 GLU CA . 27599 1 422 . 1 1 140 140 GLU CB C 13 29.363 0.1 . 1 . . . . . 224 GLU CB . 27599 1 423 . 1 1 140 140 GLU N N 15 122.104 0.01 . 1 . . . . . 224 GLU N . 27599 1 424 . 1 1 141 141 VAL H H 1 8.293 0.01 . 1 . . . . . 225 VAL H . 27599 1 425 . 1 1 141 141 VAL CA C 13 64.256 0.1 . 1 . . . . . 225 VAL CA . 27599 1 426 . 1 1 141 141 VAL CB C 13 30.287 0.1 . 1 . . . . . 225 VAL CB . 27599 1 427 . 1 1 141 141 VAL N N 15 121.201 0.01 . 1 . . . . . 225 VAL N . 27599 1 428 . 1 1 142 142 GLY H H 1 8.828 0.01 . 1 . . . . . 226 GLY H . 27599 1 429 . 1 1 142 142 GLY CA C 13 44.597 0.1 . 1 . . . . . 226 GLY CA . 27599 1 430 . 1 1 142 142 GLY N N 15 115.722 0.01 . 1 . . . . . 226 GLY N . 27599 1 431 . 1 1 143 143 SER H H 1 8.315 0.01 . 1 . . . . . 227 SER H . 27599 1 432 . 1 1 143 143 SER CA C 13 56.640 0.1 . 1 . . . . . 227 SER CA . 27599 1 433 . 1 1 143 143 SER CB C 13 64.558 0.1 . 1 . . . . . 227 SER CB . 27599 1 434 . 1 1 143 143 SER N N 15 116.208 0.01 . 1 . . . . . 227 SER N . 27599 1 435 . 1 1 144 144 ASP H H 1 8.226 0.01 . 1 . . . . . 228 ASP H . 27599 1 436 . 1 1 144 144 ASP CA C 13 53.670 0.1 . 1 . . . . . 228 ASP CA . 27599 1 437 . 1 1 144 144 ASP CB C 13 41.957 0.1 . 1 . . . . . 228 ASP CB . 27599 1 438 . 1 1 144 144 ASP N N 15 119.661 0.01 . 1 . . . . . 228 ASP N . 27599 1 439 . 1 1 145 145 SER H H 1 7.454 0.01 . 1 . . . . . 229 SER H . 27599 1 440 . 1 1 145 145 SER CA C 13 56.475 0.1 . 1 . . . . . 229 SER CA . 27599 1 441 . 1 1 145 145 SER CB C 13 63.898 0.1 . 1 . . . . . 229 SER CB . 27599 1 442 . 1 1 145 145 SER N N 15 111.117 0.01 . 1 . . . . . 229 SER N . 27599 1 443 . 1 1 146 146 THR H H 1 8.001 0.01 . 1 . . . . . 230 THR H . 27599 1 444 . 1 1 146 146 THR CA C 13 61.589 0.1 . 1 . . . . . 230 THR CA . 27599 1 445 . 1 1 146 146 THR CB C 13 70.085 0.1 . 1 . . . . . 230 THR CB . 27599 1 446 . 1 1 146 146 THR N N 15 117.960 0.01 . 1 . . . . . 230 THR N . 27599 1 447 . 1 1 147 147 THR H H 1 8.800 0.01 . 1 . . . . . 231 THR H . 27599 1 448 . 1 1 147 147 THR CA C 13 62.050 0.1 . 1 . . . . . 231 THR CA . 27599 1 449 . 1 1 147 147 THR CB C 13 69.284 0.1 . 1 . . . . . 231 THR CB . 27599 1 450 . 1 1 147 147 THR N N 15 123.487 0.01 . 1 . . . . . 231 THR N . 27599 1 451 . 1 1 148 148 ILE H H 1 9.076 0.01 . 1 . . . . . 232 ILE H . 27599 1 452 . 1 1 148 148 ILE CA C 13 59.825 0.1 . 1 . . . . . 232 ILE CA . 27599 1 453 . 1 1 148 148 ILE CB C 13 39.269 0.1 . 1 . . . . . 232 ILE CB . 27599 1 454 . 1 1 148 148 ILE N N 15 129.101 0.01 . 1 . . . . . 232 ILE N . 27599 1 455 . 1 1 149 149 HIS H H 1 8.319 0.01 . 1 . . . . . 233 HIS H . 27599 1 456 . 1 1 149 149 HIS CA C 13 53.835 0.1 . 1 . . . . . 233 HIS CA . 27599 1 457 . 1 1 149 149 HIS CB C 13 29.997 0.1 . 1 . . . . . 233 HIS CB . 27599 1 458 . 1 1 149 149 HIS N N 15 124.194 0.01 . 1 . . . . . 233 HIS N . 27599 1 459 . 1 1 150 150 TYR H H 1 8.342 0.01 . 1 . . . . . 234 TYR H . 27599 1 460 . 1 1 150 150 TYR CA C 13 57.185 0.1 . 1 . . . . . 234 TYR CA . 27599 1 461 . 1 1 150 150 TYR CB C 13 41.010 0.1 . 1 . . . . . 234 TYR CB . 27599 1 462 . 1 1 150 150 TYR N N 15 122.086 0.01 . 1 . . . . . 234 TYR N . 27599 1 463 . 1 1 151 151 ASN H H 1 9.144 0.01 . 1 . . . . . 235 ASN H . 27599 1 464 . 1 1 151 151 ASN CA C 13 51.526 0.1 . 1 . . . . . 235 ASN CA . 27599 1 465 . 1 1 151 151 ASN CB C 13 43.524 0.1 . 1 . . . . . 235 ASN CB . 27599 1 466 . 1 1 151 151 ASN N N 15 117.543 0.01 . 1 . . . . . 235 ASN N . 27599 1 467 . 1 1 152 152 TYR H H 1 9.904 0.01 . 1 . . . . . 236 TYR H . 27599 1 468 . 1 1 152 152 TYR CA C 13 57.712 0.1 . 1 . . . . . 236 TYR CA . 27599 1 469 . 1 1 152 152 TYR CB C 13 40.637 0.1 . 1 . . . . . 236 TYR CB . 27599 1 470 . 1 1 152 152 TYR N N 15 120.703 0.01 . 1 . . . . . 236 TYR N . 27599 1 471 . 1 1 153 153 MET H H 1 8.461 0.01 . 1 . . . . . 237 MET H . 27599 1 472 . 1 1 153 153 MET CA C 13 53.918 0.1 . 1 . . . . . 237 MET CA . 27599 1 473 . 1 1 153 153 MET CB C 13 28.512 0.1 . 1 . . . . . 237 MET CB . 27599 1 474 . 1 1 153 153 MET N N 15 116.198 0.01 . 1 . . . . . 237 MET N . 27599 1 475 . 1 1 154 154 CYS H H 1 7.192 0.01 . 1 . . . . . 238 CYS H . 27599 1 476 . 1 1 154 154 CYS CA C 13 60.846 0.1 . 1 . . . . . 238 CYS CA . 27599 1 477 . 1 1 154 154 CYS CB C 13 34.781 0.1 . 1 . . . . . 238 CYS CB . 27599 1 478 . 1 1 154 154 CYS N N 15 119.729 0.01 . 1 . . . . . 238 CYS N . 27599 1 479 . 1 1 155 155 TYR H H 1 8.376 0.01 . 1 . . . . . 239 TYR H . 27599 1 480 . 1 1 155 155 TYR CA C 13 58.537 0.1 . 1 . . . . . 239 TYR CA . 27599 1 481 . 1 1 155 155 TYR CB C 13 38.080 0.1 . 1 . . . . . 239 TYR CB . 27599 1 482 . 1 1 155 155 TYR N N 15 117.161 0.01 . 1 . . . . . 239 TYR N . 27599 1 483 . 1 1 160 160 GLY H H 1 8.922 0.01 . 1 . . . . . 244 GLY H . 27599 1 484 . 1 1 160 160 GLY CA C 13 44.927 0.1 . 1 . . . . . 244 GLY CA . 27599 1 485 . 1 1 160 160 GLY N N 15 110.104 0.01 . 1 . . . . . 244 GLY N . 27599 1 486 . 1 1 161 161 GLY H H 1 7.331 0.01 . 1 . . . . . 245 GLY H . 27599 1 487 . 1 1 161 161 GLY CA C 13 43.442 0.1 . 1 . . . . . 245 GLY CA . 27599 1 488 . 1 1 161 161 GLY N N 15 108.134 0.01 . 1 . . . . . 245 GLY N . 27599 1 489 . 1 1 162 162 MET CA C 13 59.444 0.1 . 1 . . . . . 246 MET CA . 27599 1 490 . 1 1 162 162 MET CB C 13 32.554 0.1 . 1 . . . . . 246 MET CB . 27599 1 491 . 1 1 163 163 ASN H H 1 8.675 0.01 . 1 . . . . . 247 ASN H . 27599 1 492 . 1 1 163 163 ASN CA C 13 54.413 0.1 . 1 . . . . . 247 ASN CA . 27599 1 493 . 1 1 163 163 ASN CB C 13 36.678 0.1 . 1 . . . . . 247 ASN CB . 27599 1 494 . 1 1 163 163 ASN N N 15 117.606 0.01 . 1 . . . . . 247 ASN N . 27599 1 495 . 1 1 164 164 ARG H H 1 9.405 0.01 . 1 . . . . . 248 ARG H . 27599 1 496 . 1 1 164 164 ARG CA C 13 57.217 0.1 . 1 . . . . . 248 ARG CA . 27599 1 497 . 1 1 164 164 ARG CB C 13 26.367 0.1 . 1 . . . . . 248 ARG CB . 27599 1 498 . 1 1 164 164 ARG N N 15 107.590 0.01 . 1 . . . . . 248 ARG N . 27599 1 499 . 1 1 165 165 ARG H H 1 7.812 0.01 . 1 . . . . . 249 ARG H . 27599 1 500 . 1 1 165 165 ARG CA C 13 53.542 0.1 . 1 . . . . . 249 ARG CA . 27599 1 501 . 1 1 165 165 ARG CB C 13 30.210 0.1 . 1 . . . . . 249 ARG CB . 27599 1 502 . 1 1 165 165 ARG N N 15 123.022 0.01 . 1 . . . . . 249 ARG N . 27599 1 503 . 1 1 166 166 PRO CA C 13 62.331 0.1 . 1 . . . . . 250 PRO CA . 27599 1 504 . 1 1 166 166 PRO CB C 13 32.801 0.1 . 1 . . . . . 250 PRO CB . 27599 1 505 . 1 1 167 167 ILE H H 1 7.026 0.01 . 1 . . . . . 251 ILE H . 27599 1 506 . 1 1 167 167 ILE CA C 13 58.372 0.1 . 1 . . . . . 251 ILE CA . 27599 1 507 . 1 1 167 167 ILE CB C 13 42.370 0.1 . 1 . . . . . 251 ILE CB . 27599 1 508 . 1 1 167 167 ILE N N 15 111.753 0.01 . 1 . . . . . 251 ILE N . 27599 1 509 . 1 1 168 168 LEU H H 1 9.280 0.01 . 1 . . . . . 252 LEU H . 27599 1 510 . 1 1 168 168 LEU CA C 13 52.680 0.1 . 1 . . . . . 252 LEU CA . 27599 1 511 . 1 1 168 168 LEU CB C 13 43.937 0.1 . 1 . . . . . 252 LEU CB . 27599 1 512 . 1 1 168 168 LEU N N 15 118.172 0.01 . 1 . . . . . 252 LEU N . 27599 1 513 . 1 1 169 169 THR H H 1 8.923 0.01 . 1 . . . . . 253 THR H . 27599 1 514 . 1 1 169 169 THR CA C 13 61.589 0.1 . 1 . . . . . 253 THR CA . 27599 1 515 . 1 1 169 169 THR CB C 13 69.260 0.1 . 1 . . . . . 253 THR CB . 27599 1 516 . 1 1 169 169 THR N N 15 114.238 0.01 . 1 . . . . . 253 THR N . 27599 1 517 . 1 1 170 170 ILE H H 1 9.307 0.01 . 1 . . . . . 254 ILE H . 27599 1 518 . 1 1 170 170 ILE CA C 13 59.692 0.1 . 1 . . . . . 254 ILE CA . 27599 1 519 . 1 1 170 170 ILE CB C 13 38.658 0.1 . 1 . . . . . 254 ILE CB . 27599 1 520 . 1 1 170 170 ILE N N 15 126.255 0.01 . 1 . . . . . 254 ILE N . 27599 1 521 . 1 1 171 171 ILE H H 1 9.229 0.01 . 1 . . . . . 255 ILE H . 27599 1 522 . 1 1 171 171 ILE CA C 13 57.609 0.1 . 1 . . . . . 255 ILE CA . 27599 1 523 . 1 1 171 171 ILE CB C 13 36.547 0.1 . 1 . . . . . 255 ILE CB . 27599 1 524 . 1 1 171 171 ILE N N 15 130.108 0.01 . 1 . . . . . 255 ILE N . 27599 1 525 . 1 1 172 172 THR H H 1 9.393 0.01 . 1 . . . . . 256 THR H . 27599 1 526 . 1 1 172 172 THR CA C 13 57.547 0.1 . 1 . . . . . 256 THR CA . 27599 1 527 . 1 1 172 172 THR CB C 13 69.343 0.1 . 1 . . . . . 256 THR CB . 27599 1 528 . 1 1 172 172 THR N N 15 115.429 0.01 . 1 . . . . . 256 THR N . 27599 1 529 . 1 1 173 173 LEU H H 1 8.128 0.01 . 1 . . . . . 257 LEU H . 27599 1 530 . 1 1 173 173 LEU CA C 13 51.938 0.1 . 1 . . . . . 257 LEU CA . 27599 1 531 . 1 1 173 173 LEU CB C 13 42.122 0.1 . 1 . . . . . 257 LEU CB . 27599 1 532 . 1 1 173 173 LEU N N 15 124.600 0.01 . 1 . . . . . 257 LEU N . 27599 1 533 . 1 1 174 174 GLU H H 1 9.236 0.01 . 1 . . . . . 258 GLU H . 27599 1 534 . 1 1 174 174 GLU CA C 13 53.340 0.1 . 1 . . . . . 258 GLU CA . 27599 1 535 . 1 1 174 174 GLU CB C 13 33.873 0.1 . 1 . . . . . 258 GLU CB . 27599 1 536 . 1 1 174 174 GLU N N 15 125.760 0.01 . 1 . . . . . 258 GLU N . 27599 1 537 . 1 1 175 175 ASP H H 1 8.397 0.01 . 1 . . . . . 259 ASP H . 27599 1 538 . 1 1 175 175 ASP CA C 13 52.112 0.1 . 1 . . . . . 259 ASP CA . 27599 1 539 . 1 1 175 175 ASP CB C 13 40.694 0.1 . 1 . . . . . 259 ASP CB . 27599 1 540 . 1 1 175 175 ASP N N 15 119.197 0.01 . 1 . . . . . 259 ASP N . 27599 1 541 . 1 1 176 176 SER H H 1 8.565 0.01 . 1 . . . . . 260 SER H . 27599 1 542 . 1 1 176 176 SER CA C 13 60.764 0.1 . 1 . . . . . 260 SER CA . 27599 1 543 . 1 1 176 176 SER CB C 13 62.711 0.1 . 1 . . . . . 260 SER CB . 27599 1 544 . 1 1 176 176 SER N N 15 112.787 0.01 . 1 . . . . . 260 SER N . 27599 1 545 . 1 1 177 177 SER H H 1 8.085 0.01 . 1 . . . . . 261 SER H . 27599 1 546 . 1 1 177 177 SER CA C 13 58.042 0.1 . 1 . . . . . 261 SER CA . 27599 1 547 . 1 1 177 177 SER CB C 13 63.742 0.1 . 1 . . . . . 261 SER CB . 27599 1 548 . 1 1 177 177 SER N N 15 116.630 0.01 . 1 . . . . . 261 SER N . 27599 1 549 . 1 1 178 178 GLY H H 1 8.025 0.01 . 1 . . . . . 262 GLY H . 27599 1 550 . 1 1 178 178 GLY CA C 13 44.349 0.1 . 1 . . . . . 262 GLY CA . 27599 1 551 . 1 1 178 178 GLY N N 15 108.733 0.01 . 1 . . . . . 262 GLY N . 27599 1 552 . 1 1 179 179 ASN H H 1 8.710 0.01 . 1 . . . . . 263 ASN H . 27599 1 553 . 1 1 179 179 ASN CA C 13 53.093 0.1 . 1 . . . . . 263 ASN CA . 27599 1 554 . 1 1 179 179 ASN CB C 13 37.503 0.1 . 1 . . . . . 263 ASN CB . 27599 1 555 . 1 1 179 179 ASN N N 15 120.371 0.01 . 1 . . . . . 263 ASN N . 27599 1 556 . 1 1 180 180 LEU H H 1 8.553 0.01 . 1 . . . . . 264 LEU H . 27599 1 557 . 1 1 180 180 LEU CA C 13 55.827 0.1 . 1 . . . . . 264 LEU CA . 27599 1 558 . 1 1 180 180 LEU CB C 13 41.352 0.1 . 1 . . . . . 264 LEU CB . 27599 1 559 . 1 1 180 180 LEU N N 15 123.130 0.01 . 1 . . . . . 264 LEU N . 27599 1 560 . 1 1 181 181 LEU H H 1 9.640 0.01 . 1 . . . . . 265 LEU H . 27599 1 561 . 1 1 181 181 LEU CA C 13 54.248 0.1 . 1 . . . . . 265 LEU CA . 27599 1 562 . 1 1 181 181 LEU CB C 13 42.699 0.1 . 1 . . . . . 265 LEU CB . 27599 1 563 . 1 1 181 181 LEU N N 15 123.917 0.01 . 1 . . . . . 265 LEU N . 27599 1 564 . 1 1 182 182 GLY H H 1 7.926 0.01 . 1 . . . . . 266 GLY H . 27599 1 565 . 1 1 182 182 GLY CA C 13 45.092 0.1 . 1 . . . . . 266 GLY CA . 27599 1 566 . 1 1 182 182 GLY N N 15 106.312 0.01 . 1 . . . . . 266 GLY N . 27599 1 567 . 1 1 183 183 ARG H H 1 10.232 0.01 . 1 . . . . . 267 ARG H . 27599 1 568 . 1 1 183 183 ARG CA C 13 56.145 0.1 . 1 . . . . . 267 ARG CA . 27599 1 569 . 1 1 183 183 ARG CB C 13 34.038 0.1 . 1 . . . . . 267 ARG CB . 27599 1 570 . 1 1 183 183 ARG N N 15 124.455 0.01 . 1 . . . . . 267 ARG N . 27599 1 571 . 1 1 184 184 ASP H H 1 9.606 0.01 . 1 . . . . . 268 ASP H . 27599 1 572 . 1 1 184 184 ASP CA C 13 53.122 0.1 . 1 . . . . . 268 ASP CA . 27599 1 573 . 1 1 184 184 ASP CB C 13 43.515 0.1 . 1 . . . . . 268 ASP CB . 27599 1 574 . 1 1 184 184 ASP N N 15 128.332 0.01 . 1 . . . . . 268 ASP N . 27599 1 575 . 1 1 185 185 SER H H 1 9.716 0.01 . 1 . . . . . 269 SER H . 27599 1 576 . 1 1 185 185 SER CA C 13 57.547 0.1 . 1 . . . . . 269 SER CA . 27599 1 577 . 1 1 185 185 SER CB C 13 66.950 0.1 . 1 . . . . . 269 SER CB . 27599 1 578 . 1 1 185 185 SER N N 15 113.658 0.01 . 1 . . . . . 269 SER N . 27599 1 579 . 1 1 186 186 PHE H H 1 8.036 0.01 . 1 . . . . . 270 PHE H . 27599 1 580 . 1 1 186 186 PHE CA C 13 55.732 0.1 . 1 . . . . . 270 PHE CA . 27599 1 581 . 1 1 186 186 PHE CB C 13 39.153 0.1 . 1 . . . . . 270 PHE CB . 27599 1 582 . 1 1 186 186 PHE N N 15 112.525 0.01 . 1 . . . . . 270 PHE N . 27599 1 583 . 1 1 187 187 GLU H H 1 8.647 0.01 . 1 . . . . . 271 GLU H . 27599 1 584 . 1 1 187 187 GLU CA C 13 55.127 0.1 . 1 . . . . . 271 GLU CA . 27599 1 585 . 1 1 187 187 GLU CB C 13 29.605 0.1 . 1 . . . . . 271 GLU CB . 27599 1 586 . 1 1 187 187 GLU N N 15 122.825 0.01 . 1 . . . . . 271 GLU N . 27599 1 587 . 1 1 188 188 VAL H H 1 7.974 0.01 . 1 . . . . . 272 VAL H . 27599 1 588 . 1 1 188 188 VAL CA C 13 59.965 0.1 . 1 . . . . . 272 VAL CA . 27599 1 589 . 1 1 188 188 VAL CB C 13 34.934 0.1 . 1 . . . . . 272 VAL CB . 27599 1 590 . 1 1 188 188 VAL N N 15 122.434 0.01 . 1 . . . . . 272 VAL N . 27599 1 591 . 1 1 189 189 ARG H H 1 8.470 0.01 . 1 . . . . . 273 ARG H . 27599 1 592 . 1 1 189 189 ARG CA C 13 54.743 0.1 . 1 . . . . . 273 ARG CA . 27599 1 593 . 1 1 189 189 ARG CB C 13 32.801 0.1 . 1 . . . . . 273 ARG CB . 27599 1 594 . 1 1 189 189 ARG N N 15 126.063 0.01 . 1 . . . . . 273 ARG N . 27599 1 595 . 1 1 190 190 VAL H H 1 8.812 0.01 . 1 . . . . . 274 VAL H . 27599 1 596 . 1 1 190 190 VAL CA C 13 58.949 0.1 . 1 . . . . . 274 VAL CA . 27599 1 597 . 1 1 190 190 VAL CB C 13 31.481 0.1 . 1 . . . . . 274 VAL CB . 27599 1 598 . 1 1 190 190 VAL N N 15 129.357 0.01 . 1 . . . . . 274 VAL N . 27599 1 599 . 1 1 191 191 SER H H 1 10.061 0.01 . 1 . . . . . 275 SER H . 27599 1 600 . 1 1 191 191 SER CA C 13 56.722 0.1 . 1 . . . . . 275 SER CA . 27599 1 601 . 1 1 191 191 SER CB C 13 66.126 0.1 . 1 . . . . . 275 SER CB . 27599 1 602 . 1 1 191 191 SER N N 15 125.724 0.01 . 1 . . . . . 275 SER N . 27599 1 603 . 1 1 192 192 ALA H H 1 8.561 0.01 . 1 . . . . . 276 ALA H . 27599 1 604 . 1 1 192 192 ALA CA C 13 52.680 0.1 . 1 . . . . . 276 ALA CA . 27599 1 605 . 1 1 192 192 ALA CB C 13 18.036 0.1 . 1 . . . . . 276 ALA CB . 27599 1 606 . 1 1 192 192 ALA N N 15 118.780 0.01 . 1 . . . . . 276 ALA N . 27599 1 607 . 1 1 193 193 SER H H 1 8.070 0.01 . 1 . . . . . 277 SER H . 27599 1 608 . 1 1 193 193 SER CA C 13 54.165 0.1 . 1 . . . . . 277 SER CA . 27599 1 609 . 1 1 193 193 SER CB C 13 63.651 0.1 . 1 . . . . . 277 SER CB . 27599 1 610 . 1 1 193 193 SER N N 15 110.441 0.01 . 1 . . . . . 277 SER N . 27599 1 611 . 1 1 194 194 PRO CA C 13 64.971 0.1 . 1 . . . . . 278 PRO CA . 27599 1 612 . 1 1 194 194 PRO CB C 13 30.739 0.1 . 1 . . . . . 278 PRO CB . 27599 1 613 . 1 1 195 195 GLY H H 1 8.337 0.01 . 1 . . . . . 279 GLY H . 27599 1 614 . 1 1 195 195 GLY CA C 13 46.494 0.1 . 1 . . . . . 279 GLY CA . 27599 1 615 . 1 1 195 195 GLY N N 15 105.220 0.01 . 1 . . . . . 279 GLY N . 27599 1 616 . 1 1 196 196 ARG H H 1 7.677 0.01 . 1 . . . . . 280 ARG H . 27599 1 617 . 1 1 196 196 ARG CA C 13 58.207 0.1 . 1 . . . . . 280 ARG CA . 27599 1 618 . 1 1 196 196 ARG CB C 13 29.089 0.1 . 1 . . . . . 280 ARG CB . 27599 1 619 . 1 1 196 196 ARG N N 15 123.073 0.01 . 1 . . . . . 280 ARG N . 27599 1 620 . 1 1 197 197 ASP H H 1 8.265 0.01 . 1 . . . . . 281 ASP H . 27599 1 621 . 1 1 197 197 ASP CA C 13 57.112 0.1 . 1 . . . . . 281 ASP CA . 27599 1 622 . 1 1 197 197 ASP CB C 13 38.597 0.1 . 1 . . . . . 281 ASP CB . 27599 1 623 . 1 1 197 197 ASP N N 15 121.161 0.01 . 1 . . . . . 281 ASP N . 27599 1 624 . 1 1 198 198 ARG H H 1 7.799 0.01 . 1 . . . . . 282 ARG H . 27599 1 625 . 1 1 198 198 ARG CA C 13 58.537 0.1 . 1 . . . . . 282 ARG CA . 27599 1 626 . 1 1 198 198 ARG CB C 13 27.522 0.1 . 1 . . . . . 282 ARG CB . 27599 1 627 . 1 1 198 198 ARG N N 15 121.058 0.01 . 1 . . . . . 282 ARG N . 27599 1 628 . 1 1 199 199 ARG H H 1 7.367 0.01 . 1 . . . . . 283 ARG H . 27599 1 629 . 1 1 199 199 ARG CA C 13 58.784 0.1 . 1 . . . . . 283 ARG CA . 27599 1 630 . 1 1 199 199 ARG CB C 13 28.594 0.1 . 1 . . . . . 283 ARG CB . 27599 1 631 . 1 1 199 199 ARG N N 15 117.299 0.01 . 1 . . . . . 283 ARG N . 27599 1 632 . 1 1 200 200 THR H H 1 8.335 0.01 . 1 . . . . . 284 THR H . 27599 1 633 . 1 1 200 200 THR CA C 13 65.850 0.1 . 1 . . . . . 284 THR CA . 27599 1 634 . 1 1 200 200 THR CB C 13 68.342 0.1 . 1 . . . . . 284 THR CB . 27599 1 635 . 1 1 200 200 THR N N 15 115.743 0.01 . 1 . . . . . 284 THR N . 27599 1 636 . 1 1 201 201 GLU H H 1 8.184 0.01 . 1 . . . . . 285 GLU H . 27599 1 637 . 1 1 201 201 GLU CA C 13 60.599 0.1 . 1 . . . . . 285 GLU CA . 27599 1 638 . 1 1 201 201 GLU CB C 13 28.512 0.1 . 1 . . . . . 285 GLU CB . 27599 1 639 . 1 1 201 201 GLU N N 15 120.872 0.01 . 1 . . . . . 285 GLU N . 27599 1 640 . 1 1 202 202 GLU H H 1 8.652 0.01 . 1 . . . . . 286 GLU H . 27599 1 641 . 1 1 202 202 GLU CA C 13 59.362 0.1 . 1 . . . . . 286 GLU CA . 27599 1 642 . 1 1 202 202 GLU CB C 13 28.017 0.1 . 1 . . . . . 286 GLU CB . 27599 1 643 . 1 1 202 202 GLU N N 15 119.642 0.01 . 1 . . . . . 286 GLU N . 27599 1 644 . 1 1 203 203 GLU H H 1 8.326 0.01 . 1 . . . . . 287 GLU H . 27599 1 645 . 1 1 203 203 GLU CA C 13 58.550 0.1 . 1 . . . . . 287 GLU CA . 27599 1 646 . 1 1 203 203 GLU CB C 13 28.092 0.1 . 1 . . . . . 287 GLU CB . 27599 1 647 . 1 1 203 203 GLU N N 15 121.025 0.01 . 1 . . . . . 287 GLU N . 27599 1 648 . 1 1 204 204 ASN H H 1 7.949 0.01 . 1 . . . . . 288 ASN H . 27599 1 649 . 1 1 204 204 ASN CA C 13 54.825 0.1 . 1 . . . . . 288 ASN CA . 27599 1 650 . 1 1 204 204 ASN CB C 13 37.585 0.1 . 1 . . . . . 288 ASN CB . 27599 1 651 . 1 1 204 204 ASN N N 15 117.099 0.01 . 1 . . . . . 288 ASN N . 27599 1 652 . 1 1 205 205 LEU H H 1 7.527 0.01 . 1 . . . . . 289 LEU H . 27599 1 653 . 1 1 205 205 LEU CA C 13 56.640 0.1 . 1 . . . . . 289 LEU CA . 27599 1 654 . 1 1 205 205 LEU CB C 13 40.802 0.1 . 1 . . . . . 289 LEU CB . 27599 1 655 . 1 1 205 205 LEU N N 15 120.219 0.01 . 1 . . . . . 289 LEU N . 27599 1 656 . 1 1 206 206 ARG H H 1 7.735 0.01 . 1 . . . . . 290 ARG H . 27599 1 657 . 1 1 206 206 ARG CA C 13 57.186 0.1 . 1 . . . . . 290 ARG CA . 27599 1 658 . 1 1 206 206 ARG CB C 13 29.136 0.1 . 1 . . . . . 290 ARG CB . 27599 1 659 . 1 1 206 206 ARG N N 15 118.822 0.01 . 1 . . . . . 290 ARG N . 27599 1 660 . 1 1 207 207 LYS H H 1 7.954 0.01 . 1 . . . . . 291 LYS H . 27599 1 661 . 1 1 207 207 LYS CA C 13 56.906 0.1 . 1 . . . . . 291 LYS CA . 27599 1 662 . 1 1 207 207 LYS CB C 13 31.648 0.1 . 1 . . . . . 291 LYS CB . 27599 1 663 . 1 1 207 207 LYS N N 15 119.348 0.01 . 1 . . . . . 291 LYS N . 27599 1 664 . 1 1 208 208 LYS H H 1 7.963 0.01 . 1 . . . . . 292 LYS H . 27599 1 665 . 1 1 208 208 LYS CA C 13 56.805 0.1 . 1 . . . . . 292 LYS CA . 27599 1 666 . 1 1 208 208 LYS CB C 13 31.564 0.1 . 1 . . . . . 292 LYS CB . 27599 1 667 . 1 1 208 208 LYS N N 15 120.385 0.01 . 1 . . . . . 292 LYS N . 27599 1 668 . 1 1 209 209 GLY H H 1 8.101 0.01 . 1 . . . . . 293 GLY H . 27599 1 669 . 1 1 209 209 GLY CA C 13 44.597 0.1 . 1 . . . . . 293 GLY CA . 27599 1 670 . 1 1 209 209 GLY N N 15 108.297 0.01 . 1 . . . . . 293 GLY N . 27599 1 671 . 1 1 210 210 GLU H H 1 8.050 0.01 . 1 . . . . . 294 GLU H . 27599 1 672 . 1 1 210 210 GLU CA C 13 53.726 0.1 . 1 . . . . . 294 GLU CA . 27599 1 673 . 1 1 210 210 GLU CB C 13 28.842 0.1 . 1 . . . . . 294 GLU CB . 27599 1 674 . 1 1 210 210 GLU N N 15 121.553 0.01 . 1 . . . . . 294 GLU N . 27599 1 675 . 1 1 211 211 PRO CA C 13 64.340 0.1 . 1 . . . . . 295 PRO CA . 27599 1 676 . 1 1 211 211 PRO CB C 13 31.602 0.1 . 1 . . . . . 295 PRO CB . 27599 1 677 . 1 1 212 212 HIS H H 1 9.073 0.01 . 1 . . . . . 296 HIS H . 27599 1 678 . 1 1 212 212 HIS CA C 13 56.814 0.1 . 1 . . . . . 296 HIS CA . 27599 1 679 . 1 1 212 212 HIS CB C 13 29.485 0.1 . 1 . . . . . 296 HIS CB . 27599 1 680 . 1 1 212 212 HIS N N 15 129.266 0.01 . 1 . . . . . 296 HIS N . 27599 1 681 . 1 1 213 213 HIS CA C 13 55.197 0.1 . 1 . . . . . 297 HIS CA . 27599 1 682 . 1 1 213 213 HIS CB C 13 29.808 0.1 . 1 . . . . . 297 HIS CB . 27599 1 683 . 1 1 214 214 GLU H H 1 8.480 0.01 . 1 . . . . . 298 GLU H . 27599 1 684 . 1 1 214 214 GLU CA C 13 55.668 0.1 . 1 . . . . . 298 GLU CA . 27599 1 685 . 1 1 214 214 GLU CB C 13 29.584 0.1 . 1 . . . . . 298 GLU CB . 27599 1 686 . 1 1 214 214 GLU N N 15 122.334 0.01 . 1 . . . . . 298 GLU N . 27599 1 687 . 1 1 215 215 LEU H H 1 8.375 0.01 . 1 . . . . . 299 LEU H . 27599 1 688 . 1 1 215 215 LEU CA C 13 52.433 0.1 . 1 . . . . . 299 LEU CA . 27599 1 689 . 1 1 215 215 LEU CB C 13 40.472 0.1 . 1 . . . . . 299 LEU CB . 27599 1 690 . 1 1 215 215 LEU N N 15 124.772 0.01 . 1 . . . . . 299 LEU N . 27599 1 691 . 1 1 218 218 GLY H H 1 8.554 0.01 . 1 . . . . . 302 GLY H . 27599 1 692 . 1 1 218 218 GLY CA C 13 44.679 0.1 . 1 . . . . . 302 GLY CA . 27599 1 693 . 1 1 218 218 GLY N N 15 109.464 0.01 . 1 . . . . . 302 GLY N . 27599 1 694 . 1 1 219 219 SER H H 1 8.084 0.01 . 1 . . . . . 303 SER H . 27599 1 695 . 1 1 219 219 SER CA C 13 58.289 0.1 . 1 . . . . . 303 SER CA . 27599 1 696 . 1 1 219 219 SER CB C 13 63.734 0.1 . 1 . . . . . 303 SER CB . 27599 1 697 . 1 1 219 219 SER N N 15 115.305 0.01 . 1 . . . . . 303 SER N . 27599 1 698 . 1 1 220 220 THR CA C 13 61.469 0.1 . 1 . . . . . 304 THR CA . 27599 1 699 . 1 1 220 220 THR CB C 13 69.118 0.1 . 1 . . . . . 304 THR CB . 27599 1 700 . 1 1 221 221 LYS H H 1 8.266 0.01 . 1 . . . . . 305 LYS H . 27599 1 701 . 1 1 221 221 LYS CA C 13 55.787 0.1 . 1 . . . . . 305 LYS CA . 27599 1 702 . 1 1 221 221 LYS CB C 13 31.857 0.1 . 1 . . . . . 305 LYS CB . 27599 1 703 . 1 1 221 221 LYS N N 15 123.624 0.01 . 1 . . . . . 305 LYS N . 27599 1 704 . 1 1 222 222 ARG H H 1 8.264 0.01 . 1 . . . . . 306 ARG H . 27599 1 705 . 1 1 222 222 ARG CA C 13 55.476 0.1 . 1 . . . . . 306 ARG CA . 27599 1 706 . 1 1 222 222 ARG CB C 13 29.899 0.1 . 1 . . . . . 306 ARG CB . 27599 1 707 . 1 1 222 222 ARG N N 15 122.521 0.01 . 1 . . . . . 306 ARG N . 27599 1 708 . 1 1 223 223 ALA H H 1 8.316 0.01 . 1 . . . . . 307 ALA H . 27599 1 709 . 1 1 223 223 ALA CA C 13 51.608 0.1 . 1 . . . . . 307 ALA CA . 27599 1 710 . 1 1 223 223 ALA CB C 13 18.284 0.1 . 1 . . . . . 307 ALA CB . 27599 1 711 . 1 1 223 223 ALA N N 15 125.669 0.01 . 1 . . . . . 307 ALA N . 27599 1 712 . 1 1 224 224 LEU H H 1 8.239 0.01 . 1 . . . . . 308 LEU H . 27599 1 713 . 1 1 224 224 LEU CA C 13 52.470 0.1 . 1 . . . . . 308 LEU CA . 27599 1 714 . 1 1 224 224 LEU CB C 13 40.513 0.1 . 1 . . . . . 308 LEU CB . 27599 1 715 . 1 1 224 224 LEU N N 15 122.977 0.01 . 1 . . . . . 308 LEU N . 27599 1 716 . 1 1 225 225 PRO CA C 13 62.661 0.1 . 1 . . . . . 309 PRO CA . 27599 1 717 . 1 1 225 225 PRO CB C 13 31.069 0.1 . 1 . . . . . 309 PRO CB . 27599 1 718 . 1 1 226 226 ASN H H 1 8.474 0.01 . 1 . . . . . 310 ASN H . 27599 1 719 . 1 1 226 226 ASN CA C 13 52.845 0.1 . 1 . . . . . 310 ASN CA . 27599 1 720 . 1 1 226 226 ASN CB C 13 38.245 0.1 . 1 . . . . . 310 ASN CB . 27599 1 721 . 1 1 226 226 ASN N N 15 118.266 0.01 . 1 . . . . . 310 ASN N . 27599 1 722 . 1 1 227 227 ASN CA C 13 53.074 0.1 . 1 . . . . . 311 ASN CA . 27599 1 723 . 1 1 227 227 ASN CB C 13 38.388 0.1 . 1 . . . . . 311 ASN CB . 27599 1 724 . 1 1 228 228 THR H H 1 7.751 0.01 . 1 . . . . . 312 THR H . 27599 1 725 . 1 1 228 228 THR CA C 13 62.840 0.1 . 1 . . . . . 312 THR CA . 27599 1 726 . 1 1 228 228 THR CB C 13 70.183 0.1 . 1 . . . . . 312 THR CB . 27599 1 727 . 1 1 228 228 THR N N 15 118.782 0.01 . 1 . . . . . 312 THR N . 27599 1 stop_ save_