data_30077 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30077 _Entry.Title ; Structural model of a apo G-protein alpha subunit determined with NMR residual dipolar couplings and SAXS ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-05-07 _Entry.Accession_date 2016-05-07 _Entry.Last_release_date 2016-06-24 _Entry.Original_release_date 2016-06-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.2.6 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 D. Goricanec D. . . . 30077 2 R. Stehle R. . . . 30077 3 S. Grigoriu S. . . . 30077 4 G. Wagner G. . . . 30077 5 F. Hagn F. . . . 30077 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID G-proteins . 30077 GPCR . 30077 'NMR. SAXS' . 30077 'signaling protein' . 30077 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30077 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 244 30077 '1H chemical shifts' 244 30077 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 . . 2016-11-09 2016-05-07 update BMRB 'update entry citation' 30077 1 . . 2016-06-24 2016-05-07 original author 'original release' 30077 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 30078 'Structural Model of a Protein alpha subunit in complex with GDP obtained with SAXS and NMR residual couplings' 30077 PDB 5JS7 'BMRB Entry Tracking System' 30077 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30077 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27298341 _Citation.Full_citation . _Citation.Title ; Conformational dynamics of a G-protein alpha subunit is tightly regulated by nucleotide binding ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 113 _Citation.Journal_issue 26 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 E3629 _Citation.Page_last E3638 _Citation.Year 2016 _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 D. Goricanec D. . . . 30077 1 2 R. Stehle R. . . . 30077 1 3 P. Egloff P. . . . 30077 1 4 S. Grigori S. . . . 30077 1 5 A. Plueckthun A. . . . 30077 1 6 G. Wagner G. . . . 30077 1 7 F. Hagn F. . . . 30077 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30077 _Assembly.ID 1 _Assembly.Name 'Guanine nucleotide-binding protein G(i) subunit alpha-1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30077 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30077 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Guanine nucleotide-binding protein G(i) subunit alpha-1' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GASREVKLLLLGAGESGKST IVKQMKIIHEAGYSEEECKQ YKAVVYSNTIQSIIAIIRAM GRLKIDFGDSARADDARQLF VLAGAAEEGFMTAELAGVIK RLWKDSGVQACFNRSREYQL NDSAAYYLNDLDRIAQPNYI PTQQDVLRTRVKTTGIVETH FTFKDLHFKMFDVGGQRSER KKWIHCFEGVAAIIFCVALS DYDLVLAEDEEMNRMHESMK LFDSICNNKWFTDTSIILFL NKKDLFEEKIKKSPLTICYQ EYAGSNTYEEAAAYIQCQFE DLNKRKDTKEIYTHFTCATD TKNVQFVFDAVTDVIIKNNL KDCGLF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 326 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 37247.414 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Adenylate cyclase-inhibiting G alpha protein' na 30077 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 29 GLY . 30077 1 2 30 ALA . 30077 1 3 31 SER . 30077 1 4 32 ARG . 30077 1 5 33 GLU . 30077 1 6 34 VAL . 30077 1 7 35 LYS . 30077 1 8 36 LEU . 30077 1 9 37 LEU . 30077 1 10 38 LEU . 30077 1 11 39 LEU . 30077 1 12 40 GLY . 30077 1 13 41 ALA . 30077 1 14 42 GLY . 30077 1 15 43 GLU . 30077 1 16 44 SER . 30077 1 17 45 GLY . 30077 1 18 46 LYS . 30077 1 19 47 SER . 30077 1 20 48 THR . 30077 1 21 49 ILE . 30077 1 22 50 VAL . 30077 1 23 51 LYS . 30077 1 24 52 GLN . 30077 1 25 53 MET . 30077 1 26 54 LYS . 30077 1 27 55 ILE . 30077 1 28 56 ILE . 30077 1 29 57 HIS . 30077 1 30 58 GLU . 30077 1 31 59 ALA . 30077 1 32 60 GLY . 30077 1 33 61 TYR . 30077 1 34 62 SER . 30077 1 35 63 GLU . 30077 1 36 64 GLU . 30077 1 37 65 GLU . 30077 1 38 66 CYS . 30077 1 39 67 LYS . 30077 1 40 68 GLN . 30077 1 41 69 TYR . 30077 1 42 70 LYS . 30077 1 43 71 ALA . 30077 1 44 72 VAL . 30077 1 45 73 VAL . 30077 1 46 74 TYR . 30077 1 47 75 SER . 30077 1 48 76 ASN . 30077 1 49 77 THR . 30077 1 50 78 ILE . 30077 1 51 79 GLN . 30077 1 52 80 SER . 30077 1 53 81 ILE . 30077 1 54 82 ILE . 30077 1 55 83 ALA . 30077 1 56 84 ILE . 30077 1 57 85 ILE . 30077 1 58 86 ARG . 30077 1 59 87 ALA . 30077 1 60 88 MET . 30077 1 61 89 GLY . 30077 1 62 90 ARG . 30077 1 63 91 LEU . 30077 1 64 92 LYS . 30077 1 65 93 ILE . 30077 1 66 94 ASP . 30077 1 67 95 PHE . 30077 1 68 96 GLY . 30077 1 69 97 ASP . 30077 1 70 98 SER . 30077 1 71 99 ALA . 30077 1 72 100 ARG . 30077 1 73 101 ALA . 30077 1 74 102 ASP . 30077 1 75 103 ASP . 30077 1 76 104 ALA . 30077 1 77 105 ARG . 30077 1 78 106 GLN . 30077 1 79 107 LEU . 30077 1 80 108 PHE . 30077 1 81 109 VAL . 30077 1 82 110 LEU . 30077 1 83 111 ALA . 30077 1 84 112 GLY . 30077 1 85 113 ALA . 30077 1 86 114 ALA . 30077 1 87 115 GLU . 30077 1 88 116 GLU . 30077 1 89 117 GLY . 30077 1 90 118 PHE . 30077 1 91 119 MET . 30077 1 92 120 THR . 30077 1 93 121 ALA . 30077 1 94 122 GLU . 30077 1 95 123 LEU . 30077 1 96 124 ALA . 30077 1 97 125 GLY . 30077 1 98 126 VAL . 30077 1 99 127 ILE . 30077 1 100 128 LYS . 30077 1 101 129 ARG . 30077 1 102 130 LEU . 30077 1 103 131 TRP . 30077 1 104 132 LYS . 30077 1 105 133 ASP . 30077 1 106 134 SER . 30077 1 107 135 GLY . 30077 1 108 136 VAL . 30077 1 109 137 GLN . 30077 1 110 138 ALA . 30077 1 111 139 CYS . 30077 1 112 140 PHE . 30077 1 113 141 ASN . 30077 1 114 142 ARG . 30077 1 115 143 SER . 30077 1 116 144 ARG . 30077 1 117 145 GLU . 30077 1 118 146 TYR . 30077 1 119 147 GLN . 30077 1 120 148 LEU . 30077 1 121 149 ASN . 30077 1 122 150 ASP . 30077 1 123 151 SER . 30077 1 124 152 ALA . 30077 1 125 153 ALA . 30077 1 126 154 TYR . 30077 1 127 155 TYR . 30077 1 128 156 LEU . 30077 1 129 157 ASN . 30077 1 130 158 ASP . 30077 1 131 159 LEU . 30077 1 132 160 ASP . 30077 1 133 161 ARG . 30077 1 134 162 ILE . 30077 1 135 163 ALA . 30077 1 136 164 GLN . 30077 1 137 165 PRO . 30077 1 138 166 ASN . 30077 1 139 167 TYR . 30077 1 140 168 ILE . 30077 1 141 169 PRO . 30077 1 142 170 THR . 30077 1 143 171 GLN . 30077 1 144 172 GLN . 30077 1 145 173 ASP . 30077 1 146 174 VAL . 30077 1 147 175 LEU . 30077 1 148 176 ARG . 30077 1 149 177 THR . 30077 1 150 178 ARG . 30077 1 151 179 VAL . 30077 1 152 180 LYS . 30077 1 153 181 THR . 30077 1 154 182 THR . 30077 1 155 183 GLY . 30077 1 156 184 ILE . 30077 1 157 185 VAL . 30077 1 158 186 GLU . 30077 1 159 187 THR . 30077 1 160 188 HIS . 30077 1 161 189 PHE . 30077 1 162 190 THR . 30077 1 163 191 PHE . 30077 1 164 192 LYS . 30077 1 165 193 ASP . 30077 1 166 194 LEU . 30077 1 167 195 HIS . 30077 1 168 196 PHE . 30077 1 169 197 LYS . 30077 1 170 198 MET . 30077 1 171 199 PHE . 30077 1 172 200 ASP . 30077 1 173 201 VAL . 30077 1 174 202 GLY . 30077 1 175 203 GLY . 30077 1 176 204 GLN . 30077 1 177 205 ARG . 30077 1 178 206 SER . 30077 1 179 207 GLU . 30077 1 180 208 ARG . 30077 1 181 209 LYS . 30077 1 182 210 LYS . 30077 1 183 211 TRP . 30077 1 184 212 ILE . 30077 1 185 213 HIS . 30077 1 186 214 CYS . 30077 1 187 215 PHE . 30077 1 188 216 GLU . 30077 1 189 217 GLY . 30077 1 190 218 VAL . 30077 1 191 219 ALA . 30077 1 192 220 ALA . 30077 1 193 221 ILE . 30077 1 194 222 ILE . 30077 1 195 223 PHE . 30077 1 196 224 CYS . 30077 1 197 225 VAL . 30077 1 198 226 ALA . 30077 1 199 227 LEU . 30077 1 200 228 SER . 30077 1 201 229 ASP . 30077 1 202 230 TYR . 30077 1 203 231 ASP . 30077 1 204 232 LEU . 30077 1 205 233 VAL . 30077 1 206 234 LEU . 30077 1 207 235 ALA . 30077 1 208 236 GLU . 30077 1 209 237 ASP . 30077 1 210 238 GLU . 30077 1 211 239 GLU . 30077 1 212 240 MET . 30077 1 213 241 ASN . 30077 1 214 242 ARG . 30077 1 215 243 MET . 30077 1 216 244 HIS . 30077 1 217 245 GLU . 30077 1 218 246 SER . 30077 1 219 247 MET . 30077 1 220 248 LYS . 30077 1 221 249 LEU . 30077 1 222 250 PHE . 30077 1 223 251 ASP . 30077 1 224 252 SER . 30077 1 225 253 ILE . 30077 1 226 254 CYS . 30077 1 227 255 ASN . 30077 1 228 256 ASN . 30077 1 229 257 LYS . 30077 1 230 258 TRP . 30077 1 231 259 PHE . 30077 1 232 260 THR . 30077 1 233 261 ASP . 30077 1 234 262 THR . 30077 1 235 263 SER . 30077 1 236 264 ILE . 30077 1 237 265 ILE . 30077 1 238 266 LEU . 30077 1 239 267 PHE . 30077 1 240 268 LEU . 30077 1 241 269 ASN . 30077 1 242 270 LYS . 30077 1 243 271 LYS . 30077 1 244 272 ASP . 30077 1 245 273 LEU . 30077 1 246 274 PHE . 30077 1 247 275 GLU . 30077 1 248 276 GLU . 30077 1 249 277 LYS . 30077 1 250 278 ILE . 30077 1 251 279 LYS . 30077 1 252 280 LYS . 30077 1 253 281 SER . 30077 1 254 282 PRO . 30077 1 255 283 LEU . 30077 1 256 284 THR . 30077 1 257 285 ILE . 30077 1 258 286 CYS . 30077 1 259 287 TYR . 30077 1 260 288 GLN . 30077 1 261 289 GLU . 30077 1 262 290 TYR . 30077 1 263 291 ALA . 30077 1 264 292 GLY . 30077 1 265 293 SER . 30077 1 266 294 ASN . 30077 1 267 295 THR . 30077 1 268 296 TYR . 30077 1 269 297 GLU . 30077 1 270 298 GLU . 30077 1 271 299 ALA . 30077 1 272 300 ALA . 30077 1 273 301 ALA . 30077 1 274 302 TYR . 30077 1 275 303 ILE . 30077 1 276 304 GLN . 30077 1 277 305 CYS . 30077 1 278 306 GLN . 30077 1 279 307 PHE . 30077 1 280 308 GLU . 30077 1 281 309 ASP . 30077 1 282 310 LEU . 30077 1 283 311 ASN . 30077 1 284 312 LYS . 30077 1 285 313 ARG . 30077 1 286 314 LYS . 30077 1 287 315 ASP . 30077 1 288 316 THR . 30077 1 289 317 LYS . 30077 1 290 318 GLU . 30077 1 291 319 ILE . 30077 1 292 320 TYR . 30077 1 293 321 THR . 30077 1 294 322 HIS . 30077 1 295 323 PHE . 30077 1 296 324 THR . 30077 1 297 325 CYS . 30077 1 298 326 ALA . 30077 1 299 327 THR . 30077 1 300 328 ASP . 30077 1 301 329 THR . 30077 1 302 330 LYS . 30077 1 303 331 ASN . 30077 1 304 332 VAL . 30077 1 305 333 GLN . 30077 1 306 334 PHE . 30077 1 307 335 VAL . 30077 1 308 336 PHE . 30077 1 309 337 ASP . 30077 1 310 338 ALA . 30077 1 311 339 VAL . 30077 1 312 340 THR . 30077 1 313 341 ASP . 30077 1 314 342 VAL . 30077 1 315 343 ILE . 30077 1 316 344 ILE . 30077 1 317 345 LYS . 30077 1 318 346 ASN . 30077 1 319 347 ASN . 30077 1 320 348 LEU . 30077 1 321 349 LYS . 30077 1 322 350 ASP . 30077 1 323 351 CYS . 30077 1 324 352 GLY . 30077 1 325 353 LEU . 30077 1 326 354 PHE . 30077 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 30077 1 . ALA 2 2 30077 1 . SER 3 3 30077 1 . ARG 4 4 30077 1 . GLU 5 5 30077 1 . VAL 6 6 30077 1 . LYS 7 7 30077 1 . LEU 8 8 30077 1 . LEU 9 9 30077 1 . LEU 10 10 30077 1 . LEU 11 11 30077 1 . GLY 12 12 30077 1 . ALA 13 13 30077 1 . GLY 14 14 30077 1 . GLU 15 15 30077 1 . SER 16 16 30077 1 . GLY 17 17 30077 1 . LYS 18 18 30077 1 . SER 19 19 30077 1 . THR 20 20 30077 1 . ILE 21 21 30077 1 . VAL 22 22 30077 1 . LYS 23 23 30077 1 . GLN 24 24 30077 1 . MET 25 25 30077 1 . LYS 26 26 30077 1 . ILE 27 27 30077 1 . ILE 28 28 30077 1 . HIS 29 29 30077 1 . GLU 30 30 30077 1 . ALA 31 31 30077 1 . GLY 32 32 30077 1 . TYR 33 33 30077 1 . SER 34 34 30077 1 . GLU 35 35 30077 1 . GLU 36 36 30077 1 . GLU 37 37 30077 1 . CYS 38 38 30077 1 . LYS 39 39 30077 1 . GLN 40 40 30077 1 . TYR 41 41 30077 1 . LYS 42 42 30077 1 . ALA 43 43 30077 1 . VAL 44 44 30077 1 . VAL 45 45 30077 1 . TYR 46 46 30077 1 . SER 47 47 30077 1 . ASN 48 48 30077 1 . THR 49 49 30077 1 . ILE 50 50 30077 1 . GLN 51 51 30077 1 . SER 52 52 30077 1 . ILE 53 53 30077 1 . ILE 54 54 30077 1 . ALA 55 55 30077 1 . ILE 56 56 30077 1 . ILE 57 57 30077 1 . ARG 58 58 30077 1 . ALA 59 59 30077 1 . MET 60 60 30077 1 . GLY 61 61 30077 1 . ARG 62 62 30077 1 . LEU 63 63 30077 1 . LYS 64 64 30077 1 . ILE 65 65 30077 1 . ASP 66 66 30077 1 . PHE 67 67 30077 1 . GLY 68 68 30077 1 . ASP 69 69 30077 1 . SER 70 70 30077 1 . ALA 71 71 30077 1 . ARG 72 72 30077 1 . ALA 73 73 30077 1 . ASP 74 74 30077 1 . ASP 75 75 30077 1 . ALA 76 76 30077 1 . ARG 77 77 30077 1 . GLN 78 78 30077 1 . LEU 79 79 30077 1 . PHE 80 80 30077 1 . VAL 81 81 30077 1 . LEU 82 82 30077 1 . ALA 83 83 30077 1 . GLY 84 84 30077 1 . ALA 85 85 30077 1 . ALA 86 86 30077 1 . GLU 87 87 30077 1 . GLU 88 88 30077 1 . GLY 89 89 30077 1 . PHE 90 90 30077 1 . MET 91 91 30077 1 . THR 92 92 30077 1 . ALA 93 93 30077 1 . GLU 94 94 30077 1 . LEU 95 95 30077 1 . ALA 96 96 30077 1 . GLY 97 97 30077 1 . VAL 98 98 30077 1 . ILE 99 99 30077 1 . LYS 100 100 30077 1 . ARG 101 101 30077 1 . LEU 102 102 30077 1 . TRP 103 103 30077 1 . LYS 104 104 30077 1 . ASP 105 105 30077 1 . SER 106 106 30077 1 . GLY 107 107 30077 1 . VAL 108 108 30077 1 . GLN 109 109 30077 1 . ALA 110 110 30077 1 . CYS 111 111 30077 1 . PHE 112 112 30077 1 . ASN 113 113 30077 1 . ARG 114 114 30077 1 . SER 115 115 30077 1 . ARG 116 116 30077 1 . GLU 117 117 30077 1 . TYR 118 118 30077 1 . GLN 119 119 30077 1 . LEU 120 120 30077 1 . ASN 121 121 30077 1 . ASP 122 122 30077 1 . SER 123 123 30077 1 . ALA 124 124 30077 1 . ALA 125 125 30077 1 . TYR 126 126 30077 1 . TYR 127 127 30077 1 . LEU 128 128 30077 1 . ASN 129 129 30077 1 . ASP 130 130 30077 1 . LEU 131 131 30077 1 . ASP 132 132 30077 1 . ARG 133 133 30077 1 . ILE 134 134 30077 1 . ALA 135 135 30077 1 . GLN 136 136 30077 1 . PRO 137 137 30077 1 . ASN 138 138 30077 1 . TYR 139 139 30077 1 . ILE 140 140 30077 1 . PRO 141 141 30077 1 . THR 142 142 30077 1 . GLN 143 143 30077 1 . GLN 144 144 30077 1 . ASP 145 145 30077 1 . VAL 146 146 30077 1 . LEU 147 147 30077 1 . ARG 148 148 30077 1 . THR 149 149 30077 1 . ARG 150 150 30077 1 . VAL 151 151 30077 1 . LYS 152 152 30077 1 . THR 153 153 30077 1 . THR 154 154 30077 1 . GLY 155 155 30077 1 . ILE 156 156 30077 1 . VAL 157 157 30077 1 . GLU 158 158 30077 1 . THR 159 159 30077 1 . HIS 160 160 30077 1 . PHE 161 161 30077 1 . THR 162 162 30077 1 . PHE 163 163 30077 1 . LYS 164 164 30077 1 . ASP 165 165 30077 1 . LEU 166 166 30077 1 . HIS 167 167 30077 1 . PHE 168 168 30077 1 . LYS 169 169 30077 1 . MET 170 170 30077 1 . PHE 171 171 30077 1 . ASP 172 172 30077 1 . VAL 173 173 30077 1 . GLY 174 174 30077 1 . GLY 175 175 30077 1 . GLN 176 176 30077 1 . ARG 177 177 30077 1 . SER 178 178 30077 1 . GLU 179 179 30077 1 . ARG 180 180 30077 1 . LYS 181 181 30077 1 . LYS 182 182 30077 1 . TRP 183 183 30077 1 . ILE 184 184 30077 1 . HIS 185 185 30077 1 . CYS 186 186 30077 1 . PHE 187 187 30077 1 . GLU 188 188 30077 1 . GLY 189 189 30077 1 . VAL 190 190 30077 1 . ALA 191 191 30077 1 . ALA 192 192 30077 1 . ILE 193 193 30077 1 . ILE 194 194 30077 1 . PHE 195 195 30077 1 . CYS 196 196 30077 1 . VAL 197 197 30077 1 . ALA 198 198 30077 1 . LEU 199 199 30077 1 . SER 200 200 30077 1 . ASP 201 201 30077 1 . TYR 202 202 30077 1 . ASP 203 203 30077 1 . LEU 204 204 30077 1 . VAL 205 205 30077 1 . LEU 206 206 30077 1 . ALA 207 207 30077 1 . GLU 208 208 30077 1 . ASP 209 209 30077 1 . GLU 210 210 30077 1 . GLU 211 211 30077 1 . MET 212 212 30077 1 . ASN 213 213 30077 1 . ARG 214 214 30077 1 . MET 215 215 30077 1 . HIS 216 216 30077 1 . GLU 217 217 30077 1 . SER 218 218 30077 1 . MET 219 219 30077 1 . LYS 220 220 30077 1 . LEU 221 221 30077 1 . PHE 222 222 30077 1 . ASP 223 223 30077 1 . SER 224 224 30077 1 . ILE 225 225 30077 1 . CYS 226 226 30077 1 . ASN 227 227 30077 1 . ASN 228 228 30077 1 . LYS 229 229 30077 1 . TRP 230 230 30077 1 . PHE 231 231 30077 1 . THR 232 232 30077 1 . ASP 233 233 30077 1 . THR 234 234 30077 1 . SER 235 235 30077 1 . ILE 236 236 30077 1 . ILE 237 237 30077 1 . LEU 238 238 30077 1 . PHE 239 239 30077 1 . LEU 240 240 30077 1 . ASN 241 241 30077 1 . LYS 242 242 30077 1 . LYS 243 243 30077 1 . ASP 244 244 30077 1 . LEU 245 245 30077 1 . PHE 246 246 30077 1 . GLU 247 247 30077 1 . GLU 248 248 30077 1 . LYS 249 249 30077 1 . ILE 250 250 30077 1 . LYS 251 251 30077 1 . LYS 252 252 30077 1 . SER 253 253 30077 1 . PRO 254 254 30077 1 . LEU 255 255 30077 1 . THR 256 256 30077 1 . ILE 257 257 30077 1 . CYS 258 258 30077 1 . TYR 259 259 30077 1 . GLN 260 260 30077 1 . GLU 261 261 30077 1 . TYR 262 262 30077 1 . ALA 263 263 30077 1 . GLY 264 264 30077 1 . SER 265 265 30077 1 . ASN 266 266 30077 1 . THR 267 267 30077 1 . TYR 268 268 30077 1 . GLU 269 269 30077 1 . GLU 270 270 30077 1 . ALA 271 271 30077 1 . ALA 272 272 30077 1 . ALA 273 273 30077 1 . TYR 274 274 30077 1 . ILE 275 275 30077 1 . GLN 276 276 30077 1 . CYS 277 277 30077 1 . GLN 278 278 30077 1 . PHE 279 279 30077 1 . GLU 280 280 30077 1 . ASP 281 281 30077 1 . LEU 282 282 30077 1 . ASN 283 283 30077 1 . LYS 284 284 30077 1 . ARG 285 285 30077 1 . LYS 286 286 30077 1 . ASP 287 287 30077 1 . THR 288 288 30077 1 . LYS 289 289 30077 1 . GLU 290 290 30077 1 . ILE 291 291 30077 1 . TYR 292 292 30077 1 . THR 293 293 30077 1 . HIS 294 294 30077 1 . PHE 295 295 30077 1 . THR 296 296 30077 1 . CYS 297 297 30077 1 . ALA 298 298 30077 1 . THR 299 299 30077 1 . ASP 300 300 30077 1 . THR 301 301 30077 1 . LYS 302 302 30077 1 . ASN 303 303 30077 1 . VAL 304 304 30077 1 . GLN 305 305 30077 1 . PHE 306 306 30077 1 . VAL 307 307 30077 1 . PHE 308 308 30077 1 . ASP 309 309 30077 1 . ALA 310 310 30077 1 . VAL 311 311 30077 1 . THR 312 312 30077 1 . ASP 313 313 30077 1 . VAL 314 314 30077 1 . ILE 315 315 30077 1 . ILE 316 316 30077 1 . LYS 317 317 30077 1 . ASN 318 318 30077 1 . ASN 319 319 30077 1 . LEU 320 320 30077 1 . LYS 321 321 30077 1 . ASP 322 322 30077 1 . CYS 323 323 30077 1 . GLY 324 324 30077 1 . LEU 325 325 30077 1 . PHE 326 326 30077 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 30077 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . GNAI1 . 30077 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 30077 _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 'BL21-Gold(DE3)pLysS AG'" . . 866768 . . . . . . . . . . . . 30077 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30077 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '400 uM [U-98% 2H; U-99% 13C; U-99% 15N] G protein alpha subunit subtype i1, GNAI1, 95% H2O/5% D2O' _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 'G protein alpha subunit subtype i1, GNAI1' '[U-98% 2H; U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 400 . . uM . . . . 30077 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 30077 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 30077 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 30077 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30077 1 6 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 30077 1 7 'magnesium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 30077 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30077 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '250 uM [U-98% 15N; U-90% 2H] G protein alpha subunit subtype i1, GNAI1, 95% H2O/5% D2O' _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 'G protein alpha subunit subtype i1, GNAI1' '[U-98% 15N; U-90% 2H]' . . 1 $entity_1 . . 250 . . uM . . . . 30077 2 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 30077 2 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 30077 2 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 30077 2 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30077 2 6 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 30077 2 7 'magnesium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 30077 2 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 30077 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 30077 1 pH 7.0 . pH 30077 1 pressure 1 . atm 30077 1 temperature 303 . K 30077 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 30077 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 30077 2 pH 7.0 . pH 30077 2 pressure 1 . atm 30077 2 temperature 303 . K 30077 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30077 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30077 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30077 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30077 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30077 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30077 2 'data analysis' 30077 2 'peak picking' 30077 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30077 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30077 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30077 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30077 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30077 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30077 4 'structure calculation' 30077 4 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 30077 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30077 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _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 30077 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 600 . . . 30077 1 2 NMR_spectrometer_2 Bruker AvanceIII . 800 . . . 30077 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 30077 _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 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30077 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30077 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30077 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30077 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30077 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 anisotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30077 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30077 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 30077 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30077 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30077 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30077 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 30077 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D HNCO' . . . 30077 1 2 '3D HNCA' . . . 30077 1 3 '3D HN(CO)CA' . . . 30077 1 4 '3D HNCACB' . . . 30077 1 5 '2D 1H-15N HSQC' . . . 30077 1 6 '3D 1H-15N NOESY' . . . 30077 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 . . 30077 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 ARG H H 1 8.137 0.02 . 1 . . . A 32 ARG H . 30077 1 2 . 1 1 4 4 ARG N N 15 122.827 0.05 . 1 . . . A 32 ARG N . 30077 1 3 . 1 1 5 5 GLU H H 1 8.118 0.02 . 1 . . . A 33 GLU H . 30077 1 4 . 1 1 5 5 GLU N N 15 122.728 0.05 . 1 . . . A 33 GLU N . 30077 1 5 . 1 1 6 6 VAL H H 1 8.380 0.02 . 1 . . . A 34 VAL H . 30077 1 6 . 1 1 6 6 VAL N N 15 123.398 0.05 . 1 . . . A 34 VAL N . 30077 1 7 . 1 1 7 7 LYS H H 1 8.454 0.02 . 1 . . . A 35 LYS H . 30077 1 8 . 1 1 7 7 LYS N N 15 126.791 0.05 . 1 . . . A 35 LYS N . 30077 1 9 . 1 1 8 8 LEU H H 1 9.193 0.02 . 1 . . . A 36 LEU H . 30077 1 10 . 1 1 8 8 LEU N N 15 129.449 0.05 . 1 . . . A 36 LEU N . 30077 1 11 . 1 1 9 9 LEU H H 1 8.035 0.02 . 1 . . . A 37 LEU H . 30077 1 12 . 1 1 9 9 LEU N N 15 125.001 0.05 . 1 . . . A 37 LEU N . 30077 1 13 . 1 1 10 10 LEU H H 1 8.012 0.02 . 1 . . . A 38 LEU H . 30077 1 14 . 1 1 10 10 LEU N N 15 126.816 0.05 . 1 . . . A 38 LEU N . 30077 1 15 . 1 1 13 13 ALA H H 1 9.355 0.02 . 1 . . . A 41 ALA H . 30077 1 16 . 1 1 13 13 ALA N N 15 124.835 0.05 . 1 . . . A 41 ALA N . 30077 1 17 . 1 1 14 14 GLY H H 1 8.703 0.02 . 1 . . . A 42 GLY H . 30077 1 18 . 1 1 14 14 GLY N N 15 110.227 0.05 . 1 . . . A 42 GLY N . 30077 1 19 . 1 1 16 16 SER H H 1 8.008 0.02 . 1 . . . A 44 SER H . 30077 1 20 . 1 1 16 16 SER N N 15 114.996 0.05 . 1 . . . A 44 SER N . 30077 1 21 . 1 1 17 17 GLY H H 1 8.161 0.02 . 1 . . . A 45 GLY H . 30077 1 22 . 1 1 17 17 GLY N N 15 108.954 0.05 . 1 . . . A 45 GLY N . 30077 1 23 . 1 1 18 18 LYS H H 1 8.029 0.02 . 1 . . . A 46 LYS H . 30077 1 24 . 1 1 18 18 LYS N N 15 122.254 0.05 . 1 . . . A 46 LYS N . 30077 1 25 . 1 1 19 19 SER H H 1 9.037 0.02 . 1 . . . A 47 SER H . 30077 1 26 . 1 1 19 19 SER N N 15 115.879 0.05 . 1 . . . A 47 SER N . 30077 1 27 . 1 1 21 21 ILE H H 1 7.530 0.02 . 1 . . . A 49 ILE H . 30077 1 28 . 1 1 21 21 ILE N N 15 122.470 0.05 . 1 . . . A 49 ILE N . 30077 1 29 . 1 1 22 22 VAL H H 1 7.184 0.02 . 1 . . . A 50 VAL H . 30077 1 30 . 1 1 22 22 VAL N N 15 119.432 0.05 . 1 . . . A 50 VAL N . 30077 1 31 . 1 1 25 25 MET H H 1 7.623 0.02 . 1 . . . A 53 MET H . 30077 1 32 . 1 1 25 25 MET N N 15 117.270 0.05 . 1 . . . A 53 MET N . 30077 1 33 . 1 1 26 26 LYS H H 1 6.917 0.02 . 1 . . . A 54 LYS H . 30077 1 34 . 1 1 26 26 LYS N N 15 120.453 0.05 . 1 . . . A 54 LYS N . 30077 1 35 . 1 1 28 28 ILE H H 1 8.349 0.02 . 1 . . . A 56 ILE H . 30077 1 36 . 1 1 28 28 ILE N N 15 117.195 0.05 . 1 . . . A 56 ILE N . 30077 1 37 . 1 1 29 29 HIS H H 1 7.535 0.02 . 1 . . . A 57 HIS H . 30077 1 38 . 1 1 29 29 HIS N N 15 114.122 0.05 . 1 . . . A 57 HIS N . 30077 1 39 . 1 1 30 30 GLU H H 1 7.036 0.02 . 1 . . . A 58 GLU H . 30077 1 40 . 1 1 30 30 GLU N N 15 119.378 0.05 . 1 . . . A 58 GLU N . 30077 1 41 . 1 1 31 31 ALA H H 1 7.998 0.02 . 1 . . . A 59 ALA H . 30077 1 42 . 1 1 31 31 ALA N N 15 121.653 0.05 . 1 . . . A 59 ALA N . 30077 1 43 . 1 1 32 32 GLY H H 1 7.806 0.02 . 1 . . . A 60 GLY H . 30077 1 44 . 1 1 32 32 GLY N N 15 105.576 0.05 . 1 . . . A 60 GLY N . 30077 1 45 . 1 1 33 33 TYR H H 1 8.298 0.02 . 1 . . . A 61 TYR H . 30077 1 46 . 1 1 33 33 TYR N N 15 118.048 0.05 . 1 . . . A 61 TYR N . 30077 1 47 . 1 1 35 35 GLU H H 1 8.954 0.02 . 1 . . . A 63 GLU H . 30077 1 48 . 1 1 35 35 GLU N N 15 123.489 0.05 . 1 . . . A 63 GLU N . 30077 1 49 . 1 1 36 36 GLU H H 1 8.246 0.02 . 1 . . . A 64 GLU H . 30077 1 50 . 1 1 36 36 GLU N N 15 116.903 0.05 . 1 . . . A 64 GLU N . 30077 1 51 . 1 1 37 37 GLU H H 1 7.639 0.02 . 1 . . . A 65 GLU H . 30077 1 52 . 1 1 37 37 GLU N N 15 119.427 0.05 . 1 . . . A 65 GLU N . 30077 1 53 . 1 1 38 38 CYS H H 1 8.548 0.02 . 1 . . . A 66 CYS H . 30077 1 54 . 1 1 38 38 CYS N N 15 118.394 0.05 . 1 . . . A 66 CYS N . 30077 1 55 . 1 1 39 39 LYS H H 1 8.065 0.02 . 1 . . . A 67 LYS H . 30077 1 56 . 1 1 39 39 LYS N N 15 118.632 0.05 . 1 . . . A 67 LYS N . 30077 1 57 . 1 1 40 40 GLN H H 1 7.351 0.02 . 1 . . . A 68 GLN H . 30077 1 58 . 1 1 40 40 GLN N N 15 116.945 0.05 . 1 . . . A 68 GLN N . 30077 1 59 . 1 1 41 41 TYR H H 1 7.654 0.02 . 1 . . . A 69 TYR H . 30077 1 60 . 1 1 41 41 TYR N N 15 115.769 0.05 . 1 . . . A 69 TYR N . 30077 1 61 . 1 1 42 42 LYS H H 1 7.402 0.02 . 1 . . . A 70 LYS H . 30077 1 62 . 1 1 42 42 LYS N N 15 124.288 0.05 . 1 . . . A 70 LYS N . 30077 1 63 . 1 1 43 43 ALA H H 1 8.182 0.02 . 1 . . . A 71 ALA H . 30077 1 64 . 1 1 43 43 ALA N N 15 116.568 0.05 . 1 . . . A 71 ALA N . 30077 1 65 . 1 1 44 44 VAL H H 1 6.780 0.02 . 1 . . . A 72 VAL H . 30077 1 66 . 1 1 44 44 VAL N N 15 118.013 0.05 . 1 . . . A 72 VAL N . 30077 1 67 . 1 1 46 46 TYR H H 1 7.966 0.02 . 1 . . . A 74 TYR H . 30077 1 68 . 1 1 46 46 TYR N N 15 119.588 0.05 . 1 . . . A 74 TYR N . 30077 1 69 . 1 1 47 47 SER H H 1 8.480 0.02 . 1 . . . A 75 SER H . 30077 1 70 . 1 1 47 47 SER N N 15 115.788 0.05 . 1 . . . A 75 SER N . 30077 1 71 . 1 1 48 48 ASN H H 1 8.992 0.02 . 1 . . . A 76 ASN H . 30077 1 72 . 1 1 48 48 ASN N N 15 118.819 0.05 . 1 . . . A 76 ASN N . 30077 1 73 . 1 1 57 57 ILE H H 1 7.152 0.02 . 1 . . . A 85 ILE H . 30077 1 74 . 1 1 57 57 ILE N N 15 115.695 0.05 . 1 . . . A 85 ILE N . 30077 1 75 . 1 1 59 59 ALA H H 1 7.448 0.02 . 1 . . . A 87 ALA H . 30077 1 76 . 1 1 59 59 ALA N N 15 122.341 0.05 . 1 . . . A 87 ALA N . 30077 1 77 . 1 1 60 60 MET H H 1 7.667 0.02 . 1 . . . A 88 MET H . 30077 1 78 . 1 1 60 60 MET N N 15 118.688 0.05 . 1 . . . A 88 MET N . 30077 1 79 . 1 1 61 61 GLY H H 1 7.247 0.02 . 1 . . . A 89 GLY H . 30077 1 80 . 1 1 61 61 GLY N N 15 103.688 0.05 . 1 . . . A 89 GLY N . 30077 1 81 . 1 1 62 62 ARG H H 1 7.063 0.02 . 1 . . . A 90 ARG H . 30077 1 82 . 1 1 62 62 ARG N N 15 122.064 0.05 . 1 . . . A 90 ARG N . 30077 1 83 . 1 1 63 63 LEU H H 1 8.242 0.02 . 1 . . . A 91 LEU H . 30077 1 84 . 1 1 63 63 LEU N N 15 117.603 0.05 . 1 . . . A 91 LEU N . 30077 1 85 . 1 1 64 64 LYS H H 1 7.340 0.02 . 1 . . . A 92 LYS H . 30077 1 86 . 1 1 64 64 LYS N N 15 116.309 0.05 . 1 . . . A 92 LYS N . 30077 1 87 . 1 1 65 65 ILE H H 1 7.946 0.02 . 1 . . . A 93 ILE H . 30077 1 88 . 1 1 65 65 ILE N N 15 121.789 0.05 . 1 . . . A 93 ILE N . 30077 1 89 . 1 1 66 66 ASP H H 1 8.050 0.02 . 1 . . . A 94 ASP H . 30077 1 90 . 1 1 66 66 ASP N N 15 126.131 0.05 . 1 . . . A 94 ASP N . 30077 1 91 . 1 1 67 67 PHE H H 1 7.885 0.02 . 1 . . . A 95 PHE H . 30077 1 92 . 1 1 67 67 PHE N N 15 117.105 0.05 . 1 . . . A 95 PHE N . 30077 1 93 . 1 1 68 68 GLY H H 1 11.284 0.02 . 1 . . . A 96 GLY H . 30077 1 94 . 1 1 68 68 GLY N N 15 116.027 0.05 . 1 . . . A 96 GLY N . 30077 1 95 . 1 1 69 69 ASP H H 1 7.717 0.02 . 1 . . . A 97 ASP H . 30077 1 96 . 1 1 69 69 ASP N N 15 119.364 0.05 . 1 . . . A 97 ASP N . 30077 1 97 . 1 1 72 72 ARG H H 1 8.060 0.02 . 1 . . . A 100 ARG H . 30077 1 98 . 1 1 72 72 ARG N N 15 113.995 0.05 . 1 . . . A 100 ARG N . 30077 1 99 . 1 1 73 73 ALA H H 1 7.361 0.02 . 1 . . . A 101 ALA H . 30077 1 100 . 1 1 73 73 ALA N N 15 121.823 0.05 . 1 . . . A 101 ALA N . 30077 1 101 . 1 1 74 74 ASP H H 1 7.255 0.02 . 1 . . . A 102 ASP H . 30077 1 102 . 1 1 74 74 ASP N N 15 117.563 0.05 . 1 . . . A 102 ASP N . 30077 1 103 . 1 1 75 75 ASP H H 1 6.565 0.02 . 1 . . . A 103 ASP H . 30077 1 104 . 1 1 75 75 ASP N N 15 119.455 0.05 . 1 . . . A 103 ASP N . 30077 1 105 . 1 1 76 76 ALA H H 1 8.166 0.02 . 1 . . . A 104 ALA H . 30077 1 106 . 1 1 76 76 ALA N N 15 122.418 0.05 . 1 . . . A 104 ALA N . 30077 1 107 . 1 1 77 77 ARG H H 1 7.277 0.02 . 1 . . . A 105 ARG H . 30077 1 108 . 1 1 77 77 ARG N N 15 115.769 0.05 . 1 . . . A 105 ARG N . 30077 1 109 . 1 1 78 78 GLN H H 1 7.745 0.02 . 1 . . . A 106 GLN H . 30077 1 110 . 1 1 78 78 GLN N N 15 118.494 0.05 . 1 . . . A 106 GLN N . 30077 1 111 . 1 1 79 79 LEU H H 1 8.356 0.02 . 1 . . . A 107 LEU H . 30077 1 112 . 1 1 79 79 LEU N N 15 121.315 0.05 . 1 . . . A 107 LEU N . 30077 1 113 . 1 1 80 80 PHE H H 1 7.067 0.02 . 1 . . . A 108 PHE H . 30077 1 114 . 1 1 80 80 PHE N N 15 113.673 0.05 . 1 . . . A 108 PHE N . 30077 1 115 . 1 1 81 81 VAL H H 1 7.588 0.02 . 1 . . . A 109 VAL H . 30077 1 116 . 1 1 81 81 VAL N N 15 121.098 0.05 . 1 . . . A 109 VAL N . 30077 1 117 . 1 1 82 82 LEU H H 1 8.533 0.02 . 1 . . . A 110 LEU H . 30077 1 118 . 1 1 82 82 LEU N N 15 119.317 0.05 . 1 . . . A 110 LEU N . 30077 1 119 . 1 1 83 83 ALA H H 1 8.342 0.02 . 1 . . . A 111 ALA H . 30077 1 120 . 1 1 83 83 ALA N N 15 120.050 0.05 . 1 . . . A 111 ALA N . 30077 1 121 . 1 1 84 84 GLY H H 1 7.732 0.02 . 1 . . . A 112 GLY H . 30077 1 122 . 1 1 84 84 GLY N N 15 105.041 0.05 . 1 . . . A 112 GLY N . 30077 1 123 . 1 1 85 85 ALA H H 1 7.481 0.02 . 1 . . . A 113 ALA H . 30077 1 124 . 1 1 85 85 ALA N N 15 122.407 0.05 . 1 . . . A 113 ALA N . 30077 1 125 . 1 1 86 86 ALA H H 1 7.255 0.02 . 1 . . . A 114 ALA H . 30077 1 126 . 1 1 86 86 ALA N N 15 121.634 0.05 . 1 . . . A 114 ALA N . 30077 1 127 . 1 1 87 87 GLU H H 1 8.250 0.02 . 1 . . . A 115 GLU H . 30077 1 128 . 1 1 87 87 GLU N N 15 120.582 0.05 . 1 . . . A 115 GLU N . 30077 1 129 . 1 1 88 88 GLU H H 1 8.117 0.02 . 1 . . . A 116 GLU H . 30077 1 130 . 1 1 88 88 GLU N N 15 120.299 0.05 . 1 . . . A 116 GLU N . 30077 1 131 . 1 1 89 89 GLY H H 1 8.589 0.02 . 1 . . . A 117 GLY H . 30077 1 132 . 1 1 89 89 GLY N N 15 108.820 0.05 . 1 . . . A 117 GLY N . 30077 1 133 . 1 1 90 90 PHE H H 1 7.310 0.02 . 1 . . . A 118 PHE H . 30077 1 134 . 1 1 90 90 PHE N N 15 119.205 0.05 . 1 . . . A 118 PHE N . 30077 1 135 . 1 1 91 91 MET H H 1 7.914 0.02 . 1 . . . A 119 MET H . 30077 1 136 . 1 1 91 91 MET N N 15 121.458 0.05 . 1 . . . A 119 MET N . 30077 1 137 . 1 1 92 92 THR H H 1 7.450 0.02 . 1 . . . A 120 THR H . 30077 1 138 . 1 1 92 92 THR N N 15 116.081 0.05 . 1 . . . A 120 THR N . 30077 1 139 . 1 1 93 93 ALA H H 1 8.729 0.02 . 1 . . . A 121 ALA H . 30077 1 140 . 1 1 93 93 ALA N N 15 124.396 0.05 . 1 . . . A 121 ALA N . 30077 1 141 . 1 1 94 94 GLU H H 1 8.393 0.02 . 1 . . . A 122 GLU H . 30077 1 142 . 1 1 94 94 GLU N N 15 119.112 0.05 . 1 . . . A 122 GLU N . 30077 1 143 . 1 1 95 95 LEU H H 1 7.619 0.02 . 1 . . . A 123 LEU H . 30077 1 144 . 1 1 95 95 LEU N N 15 121.602 0.05 . 1 . . . A 123 LEU N . 30077 1 145 . 1 1 96 96 ALA H H 1 8.311 0.02 . 1 . . . A 124 ALA H . 30077 1 146 . 1 1 96 96 ALA N N 15 120.846 0.05 . 1 . . . A 124 ALA N . 30077 1 147 . 1 1 97 97 GLY H H 1 7.755 0.02 . 1 . . . A 125 GLY H . 30077 1 148 . 1 1 97 97 GLY N N 15 103.706 0.05 . 1 . . . A 125 GLY N . 30077 1 149 . 1 1 98 98 VAL H H 1 7.203 0.02 . 1 . . . A 126 VAL H . 30077 1 150 . 1 1 98 98 VAL N N 15 121.515 0.05 . 1 . . . A 126 VAL N . 30077 1 151 . 1 1 103 103 TRP HE1 H 1 9.599 0.02 . 1 . . . A 131 TRP HE1 . 30077 1 152 . 1 1 103 103 TRP NE1 N 15 127.728 0.05 . 1 . . . A 131 TRP NE1 . 30077 1 153 . 1 1 104 104 LYS H H 1 7.114 0.02 . 1 . . . A 132 LYS H . 30077 1 154 . 1 1 104 104 LYS N N 15 112.929 0.05 . 1 . . . A 132 LYS N . 30077 1 155 . 1 1 105 105 ASP H H 1 7.583 0.02 . 1 . . . A 133 ASP H . 30077 1 156 . 1 1 105 105 ASP N N 15 122.545 0.05 . 1 . . . A 133 ASP N . 30077 1 157 . 1 1 106 106 SER H H 1 8.750 0.02 . 1 . . . A 134 SER H . 30077 1 158 . 1 1 106 106 SER N N 15 120.895 0.05 . 1 . . . A 134 SER N . 30077 1 159 . 1 1 107 107 GLY H H 1 8.575 0.02 . 1 . . . A 135 GLY H . 30077 1 160 . 1 1 107 107 GLY N N 15 116.270 0.05 . 1 . . . A 135 GLY N . 30077 1 161 . 1 1 110 110 ALA H H 1 7.845 0.02 . 1 . . . A 138 ALA H . 30077 1 162 . 1 1 110 110 ALA N N 15 123.439 0.05 . 1 . . . A 138 ALA N . 30077 1 163 . 1 1 112 112 PHE H H 1 9.303 0.02 . 1 . . . A 140 PHE H . 30077 1 164 . 1 1 112 112 PHE N N 15 126.657 0.05 . 1 . . . A 140 PHE N . 30077 1 165 . 1 1 113 113 ASN H H 1 7.995 0.02 . 1 . . . A 141 ASN H . 30077 1 166 . 1 1 113 113 ASN N N 15 116.510 0.05 . 1 . . . A 141 ASN N . 30077 1 167 . 1 1 114 114 ARG H H 1 7.293 0.02 . 1 . . . A 142 ARG H . 30077 1 168 . 1 1 114 114 ARG N N 15 120.872 0.05 . 1 . . . A 142 ARG N . 30077 1 169 . 1 1 115 115 SER H H 1 6.893 0.02 . 1 . . . A 143 SER H . 30077 1 170 . 1 1 115 115 SER N N 15 114.100 0.05 . 1 . . . A 143 SER N . 30077 1 171 . 1 1 116 116 ARG H H 1 7.975 0.02 . 1 . . . A 144 ARG H . 30077 1 172 . 1 1 116 116 ARG N N 15 119.812 0.05 . 1 . . . A 144 ARG N . 30077 1 173 . 1 1 117 117 GLU H H 1 8.243 0.02 . 1 . . . A 145 GLU H . 30077 1 174 . 1 1 117 117 GLU N N 15 118.957 0.05 . 1 . . . A 145 GLU N . 30077 1 175 . 1 1 118 118 TYR H H 1 7.428 0.02 . 1 . . . A 146 TYR H . 30077 1 176 . 1 1 118 118 TYR N N 15 118.773 0.05 . 1 . . . A 146 TYR N . 30077 1 177 . 1 1 119 119 GLN H H 1 7.772 0.02 . 1 . . . A 147 GLN H . 30077 1 178 . 1 1 119 119 GLN N N 15 116.500 0.05 . 1 . . . A 147 GLN N . 30077 1 179 . 1 1 123 123 SER H H 1 8.753 0.02 . 1 . . . A 151 SER H . 30077 1 180 . 1 1 123 123 SER N N 15 122.860 0.05 . 1 . . . A 151 SER N . 30077 1 181 . 1 1 124 124 ALA H H 1 8.770 0.02 . 1 . . . A 152 ALA H . 30077 1 182 . 1 1 124 124 ALA N N 15 126.991 0.05 . 1 . . . A 152 ALA N . 30077 1 183 . 1 1 126 126 TYR H H 1 8.407 0.02 . 1 . . . A 154 TYR H . 30077 1 184 . 1 1 126 126 TYR N N 15 125.502 0.05 . 1 . . . A 154 TYR N . 30077 1 185 . 1 1 130 130 ASP H H 1 7.009 0.02 . 1 . . . A 158 ASP H . 30077 1 186 . 1 1 130 130 ASP N N 15 122.512 0.05 . 1 . . . A 158 ASP N . 30077 1 187 . 1 1 131 131 LEU H H 1 6.511 0.02 . 1 . . . A 159 LEU H . 30077 1 188 . 1 1 131 131 LEU N N 15 120.611 0.05 . 1 . . . A 159 LEU N . 30077 1 189 . 1 1 132 132 ASP H H 1 8.175 0.02 . 1 . . . A 160 ASP H . 30077 1 190 . 1 1 132 132 ASP N N 15 114.880 0.05 . 1 . . . A 160 ASP N . 30077 1 191 . 1 1 133 133 ARG H H 1 7.284 0.02 . 1 . . . A 161 ARG H . 30077 1 192 . 1 1 133 133 ARG N N 15 119.276 0.05 . 1 . . . A 161 ARG N . 30077 1 193 . 1 1 135 135 ALA H H 1 8.169 0.02 . 1 . . . A 163 ALA H . 30077 1 194 . 1 1 135 135 ALA N N 15 120.940 0.05 . 1 . . . A 163 ALA N . 30077 1 195 . 1 1 136 136 GLN H H 1 6.760 0.02 . 1 . . . A 164 GLN H . 30077 1 196 . 1 1 136 136 GLN N N 15 118.377 0.05 . 1 . . . A 164 GLN N . 30077 1 197 . 1 1 138 138 ASN H H 1 8.176 0.02 . 1 . . . A 166 ASN H . 30077 1 198 . 1 1 138 138 ASN N N 15 125.579 0.05 . 1 . . . A 166 ASN N . 30077 1 199 . 1 1 142 142 THR H H 1 7.819 0.02 . 1 . . . A 170 THR H . 30077 1 200 . 1 1 142 142 THR N N 15 111.123 0.05 . 1 . . . A 170 THR N . 30077 1 201 . 1 1 143 143 GLN H H 1 8.639 0.02 . 1 . . . A 171 GLN H . 30077 1 202 . 1 1 143 143 GLN N N 15 118.588 0.05 . 1 . . . A 171 GLN N . 30077 1 203 . 1 1 144 144 GLN H H 1 8.074 0.02 . 1 . . . A 172 GLN H . 30077 1 204 . 1 1 144 144 GLN N N 15 117.382 0.05 . 1 . . . A 172 GLN N . 30077 1 205 . 1 1 145 145 ASP H H 1 7.781 0.02 . 1 . . . A 173 ASP H . 30077 1 206 . 1 1 145 145 ASP N N 15 118.651 0.05 . 1 . . . A 173 ASP N . 30077 1 207 . 1 1 146 146 VAL H H 1 7.692 0.02 . 1 . . . A 174 VAL H . 30077 1 208 . 1 1 146 146 VAL N N 15 120.100 0.05 . 1 . . . A 174 VAL N . 30077 1 209 . 1 1 147 147 LEU H H 1 8.009 0.02 . 1 . . . A 175 LEU H . 30077 1 210 . 1 1 147 147 LEU N N 15 122.679 0.05 . 1 . . . A 175 LEU N . 30077 1 211 . 1 1 148 148 ARG H H 1 6.951 0.02 . 1 . . . A 176 ARG H . 30077 1 212 . 1 1 148 148 ARG N N 15 114.228 0.05 . 1 . . . A 176 ARG N . 30077 1 213 . 1 1 149 149 THR H H 1 7.141 0.02 . 1 . . . A 177 THR H . 30077 1 214 . 1 1 149 149 THR N N 15 114.370 0.05 . 1 . . . A 177 THR N . 30077 1 215 . 1 1 153 153 THR H H 1 7.761 0.02 . 1 . . . A 181 THR H . 30077 1 216 . 1 1 153 153 THR N N 15 117.081 0.05 . 1 . . . A 181 THR N . 30077 1 217 . 1 1 154 154 THR H H 1 7.775 0.02 . 1 . . . A 182 THR H . 30077 1 218 . 1 1 154 154 THR N N 15 117.099 0.05 . 1 . . . A 182 THR N . 30077 1 219 . 1 1 155 155 GLY H H 1 7.955 0.02 . 1 . . . A 183 GLY H . 30077 1 220 . 1 1 155 155 GLY N N 15 111.486 0.05 . 1 . . . A 183 GLY N . 30077 1 221 . 1 1 156 156 ILE H H 1 7.827 0.02 . 1 . . . A 184 ILE H . 30077 1 222 . 1 1 156 156 ILE N N 15 120.558 0.05 . 1 . . . A 184 ILE N . 30077 1 223 . 1 1 158 158 GLU H H 1 8.546 0.02 . 1 . . . A 186 GLU H . 30077 1 224 . 1 1 158 158 GLU N N 15 129.659 0.05 . 1 . . . A 186 GLU N . 30077 1 225 . 1 1 159 159 THR H H 1 8.780 0.02 . 1 . . . A 187 THR H . 30077 1 226 . 1 1 159 159 THR N N 15 121.554 0.05 . 1 . . . A 187 THR N . 30077 1 227 . 1 1 160 160 HIS H H 1 8.597 0.02 . 1 . . . A 188 HIS H . 30077 1 228 . 1 1 160 160 HIS N N 15 124.358 0.05 . 1 . . . A 188 HIS N . 30077 1 229 . 1 1 161 161 PHE H H 1 7.857 0.02 . 1 . . . A 189 PHE H . 30077 1 230 . 1 1 161 161 PHE N N 15 116.150 0.05 . 1 . . . A 189 PHE N . 30077 1 231 . 1 1 162 162 THR H H 1 8.795 0.02 . 1 . . . A 190 THR H . 30077 1 232 . 1 1 162 162 THR N N 15 117.159 0.05 . 1 . . . A 190 THR N . 30077 1 233 . 1 1 163 163 PHE H H 1 8.947 0.02 . 1 . . . A 191 PHE H . 30077 1 234 . 1 1 163 163 PHE N N 15 126.537 0.05 . 1 . . . A 191 PHE N . 30077 1 235 . 1 1 164 164 LYS H H 1 8.716 0.02 . 1 . . . A 192 LYS H . 30077 1 236 . 1 1 164 164 LYS N N 15 126.158 0.05 . 1 . . . A 192 LYS N . 30077 1 237 . 1 1 165 165 ASP H H 1 8.213 0.02 . 1 . . . A 193 ASP H . 30077 1 238 . 1 1 165 165 ASP N N 15 109.811 0.05 . 1 . . . A 193 ASP N . 30077 1 239 . 1 1 166 166 LEU H H 1 7.880 0.02 . 1 . . . A 194 LEU H . 30077 1 240 . 1 1 166 166 LEU N N 15 120.832 0.05 . 1 . . . A 194 LEU N . 30077 1 241 . 1 1 167 167 HIS H H 1 8.390 0.02 . 1 . . . A 195 HIS H . 30077 1 242 . 1 1 167 167 HIS N N 15 121.636 0.05 . 1 . . . A 195 HIS N . 30077 1 243 . 1 1 168 168 PHE H H 1 8.853 0.02 . 1 . . . A 196 PHE H . 30077 1 244 . 1 1 168 168 PHE N N 15 124.563 0.05 . 1 . . . A 196 PHE N . 30077 1 245 . 1 1 169 169 LYS H H 1 8.436 0.02 . 1 . . . A 197 LYS H . 30077 1 246 . 1 1 169 169 LYS N N 15 124.196 0.05 . 1 . . . A 197 LYS N . 30077 1 247 . 1 1 172 172 ASP H H 1 8.876 0.02 . 1 . . . A 200 ASP H . 30077 1 248 . 1 1 172 172 ASP N N 15 123.508 0.05 . 1 . . . A 200 ASP N . 30077 1 249 . 1 1 174 174 GLY H H 1 10.130 0.02 . 1 . . . A 202 GLY H . 30077 1 250 . 1 1 174 174 GLY N N 15 117.608 0.05 . 1 . . . A 202 GLY N . 30077 1 251 . 1 1 175 175 GLY H H 1 10.706 0.02 . 1 . . . A 203 GLY H . 30077 1 252 . 1 1 175 175 GLY N N 15 120.618 0.05 . 1 . . . A 203 GLY N . 30077 1 253 . 1 1 176 176 GLN H H 1 8.053 0.02 . 1 . . . A 204 GLN H . 30077 1 254 . 1 1 176 176 GLN N N 15 121.153 0.05 . 1 . . . A 204 GLN N . 30077 1 255 . 1 1 177 177 ARG H H 1 9.551 0.02 . 1 . . . A 205 ARG H . 30077 1 256 . 1 1 177 177 ARG N N 15 123.443 0.05 . 1 . . . A 205 ARG N . 30077 1 257 . 1 1 183 183 TRP HE1 H 1 9.960 0.02 . 1 . . . A 211 TRP HE1 . 30077 1 258 . 1 1 183 183 TRP NE1 N 15 129.517 0.05 . 1 . . . A 211 TRP NE1 . 30077 1 259 . 1 1 187 187 PHE H H 1 7.275 0.02 . 1 . . . A 215 PHE H . 30077 1 260 . 1 1 187 187 PHE N N 15 117.394 0.05 . 1 . . . A 215 PHE N . 30077 1 261 . 1 1 188 188 GLU H H 1 8.099 0.02 . 1 . . . A 216 GLU H . 30077 1 262 . 1 1 188 188 GLU N N 15 120.429 0.05 . 1 . . . A 216 GLU N . 30077 1 263 . 1 1 189 189 GLY H H 1 8.676 0.02 . 1 . . . A 217 GLY H . 30077 1 264 . 1 1 189 189 GLY N N 15 113.332 0.05 . 1 . . . A 217 GLY N . 30077 1 265 . 1 1 190 190 VAL H H 1 7.952 0.02 . 1 . . . A 218 VAL H . 30077 1 266 . 1 1 190 190 VAL N N 15 119.618 0.05 . 1 . . . A 218 VAL N . 30077 1 267 . 1 1 196 196 CYS H H 1 8.575 0.02 . 1 . . . A 224 CYS H . 30077 1 268 . 1 1 196 196 CYS N N 15 126.972 0.05 . 1 . . . A 224 CYS N . 30077 1 269 . 1 1 198 198 ALA H H 1 8.894 0.02 . 1 . . . A 226 ALA H . 30077 1 270 . 1 1 198 198 ALA N N 15 128.297 0.05 . 1 . . . A 226 ALA N . 30077 1 271 . 1 1 200 200 SER H H 1 6.825 0.02 . 1 . . . A 228 SER H . 30077 1 272 . 1 1 200 200 SER N N 15 101.306 0.05 . 1 . . . A 228 SER N . 30077 1 273 . 1 1 201 201 ASP H H 1 7.349 0.02 . 1 . . . A 229 ASP H . 30077 1 274 . 1 1 201 201 ASP N N 15 122.294 0.05 . 1 . . . A 229 ASP N . 30077 1 275 . 1 1 202 202 TYR H H 1 7.097 0.02 . 1 . . . A 230 TYR H . 30077 1 276 . 1 1 202 202 TYR N N 15 114.761 0.05 . 1 . . . A 230 TYR N . 30077 1 277 . 1 1 203 203 ASP H H 1 6.502 0.02 . 1 . . . A 231 ASP H . 30077 1 278 . 1 1 203 203 ASP N N 15 118.870 0.05 . 1 . . . A 231 ASP N . 30077 1 279 . 1 1 204 204 LEU H H 1 7.061 0.02 . 1 . . . A 232 LEU H . 30077 1 280 . 1 1 204 204 LEU N N 15 119.078 0.05 . 1 . . . A 232 LEU N . 30077 1 281 . 1 1 207 207 ALA H H 1 8.368 0.02 . 1 . . . A 235 ALA H . 30077 1 282 . 1 1 207 207 ALA N N 15 116.780 0.05 . 1 . . . A 235 ALA N . 30077 1 283 . 1 1 208 208 GLU H H 1 7.427 0.02 . 1 . . . A 236 GLU H . 30077 1 284 . 1 1 208 208 GLU N N 15 117.964 0.05 . 1 . . . A 236 GLU N . 30077 1 285 . 1 1 210 210 GLU H H 1 8.482 0.02 . 1 . . . A 238 GLU H . 30077 1 286 . 1 1 210 210 GLU N N 15 122.089 0.05 . 1 . . . A 238 GLU N . 30077 1 287 . 1 1 211 211 GLU H H 1 8.005 0.02 . 1 . . . A 239 GLU H . 30077 1 288 . 1 1 211 211 GLU N N 15 116.680 0.05 . 1 . . . A 239 GLU N . 30077 1 289 . 1 1 212 212 MET H H 1 7.911 0.02 . 1 . . . A 240 MET H . 30077 1 290 . 1 1 212 212 MET N N 15 121.735 0.05 . 1 . . . A 240 MET N . 30077 1 291 . 1 1 213 213 ASN H H 1 8.653 0.02 . 1 . . . A 241 ASN H . 30077 1 292 . 1 1 213 213 ASN N N 15 126.652 0.05 . 1 . . . A 241 ASN N . 30077 1 293 . 1 1 214 214 ARG H H 1 9.014 0.02 . 1 . . . A 242 ARG H . 30077 1 294 . 1 1 214 214 ARG N N 15 125.163 0.05 . 1 . . . A 242 ARG N . 30077 1 295 . 1 1 215 215 MET H H 1 8.178 0.02 . 1 . . . A 243 MET H . 30077 1 296 . 1 1 215 215 MET N N 15 121.664 0.05 . 1 . . . A 243 MET N . 30077 1 297 . 1 1 218 218 SER H H 1 7.954 0.02 . 1 . . . A 246 SER H . 30077 1 298 . 1 1 218 218 SER N N 15 113.922 0.05 . 1 . . . A 246 SER N . 30077 1 299 . 1 1 223 223 ASP H H 1 8.430 0.02 . 1 . . . A 251 ASP H . 30077 1 300 . 1 1 223 223 ASP N N 15 119.084 0.05 . 1 . . . A 251 ASP N . 30077 1 301 . 1 1 224 224 SER H H 1 7.322 0.02 . 1 . . . A 252 SER H . 30077 1 302 . 1 1 224 224 SER N N 15 111.095 0.05 . 1 . . . A 252 SER N . 30077 1 303 . 1 1 225 225 ILE H H 1 7.607 0.02 . 1 . . . A 253 ILE H . 30077 1 304 . 1 1 225 225 ILE N N 15 120.276 0.05 . 1 . . . A 253 ILE N . 30077 1 305 . 1 1 226 226 CYS H H 1 8.794 0.02 . 1 . . . A 254 CYS H . 30077 1 306 . 1 1 226 226 CYS N N 15 117.235 0.05 . 1 . . . A 254 CYS N . 30077 1 307 . 1 1 227 227 ASN H H 1 6.865 0.02 . 1 . . . A 255 ASN H . 30077 1 308 . 1 1 227 227 ASN N N 15 111.152 0.05 . 1 . . . A 255 ASN N . 30077 1 309 . 1 1 228 228 ASN H H 1 7.125 0.02 . 1 . . . A 256 ASN H . 30077 1 310 . 1 1 228 228 ASN N N 15 120.741 0.05 . 1 . . . A 256 ASN N . 30077 1 311 . 1 1 230 230 TRP H H 1 8.546 0.02 . 1 . . . A 258 TRP H . 30077 1 312 . 1 1 230 230 TRP HE1 H 1 9.798 0.02 . 1 . . . A 258 TRP HE1 . 30077 1 313 . 1 1 230 230 TRP N N 15 120.557 0.05 . 1 . . . A 258 TRP N . 30077 1 314 . 1 1 230 230 TRP NE1 N 15 128.724 0.05 . 1 . . . A 258 TRP NE1 . 30077 1 315 . 1 1 231 231 PHE H H 1 7.477 0.02 . 1 . . . A 259 PHE H . 30077 1 316 . 1 1 231 231 PHE N N 15 116.097 0.05 . 1 . . . A 259 PHE N . 30077 1 317 . 1 1 232 232 THR H H 1 7.275 0.02 . 1 . . . A 260 THR H . 30077 1 318 . 1 1 232 232 THR N N 15 116.549 0.05 . 1 . . . A 260 THR N . 30077 1 319 . 1 1 233 233 ASP H H 1 8.655 0.02 . 1 . . . A 261 ASP H . 30077 1 320 . 1 1 233 233 ASP N N 15 120.865 0.05 . 1 . . . A 261 ASP N . 30077 1 321 . 1 1 234 234 THR H H 1 7.180 0.02 . 1 . . . A 262 THR H . 30077 1 322 . 1 1 234 234 THR N N 15 119.583 0.05 . 1 . . . A 262 THR N . 30077 1 323 . 1 1 235 235 SER H H 1 8.295 0.02 . 1 . . . A 263 SER H . 30077 1 324 . 1 1 235 235 SER N N 15 124.343 0.05 . 1 . . . A 263 SER N . 30077 1 325 . 1 1 236 236 ILE H H 1 9.336 0.02 . 1 . . . A 264 ILE H . 30077 1 326 . 1 1 236 236 ILE N N 15 127.254 0.05 . 1 . . . A 264 ILE N . 30077 1 327 . 1 1 237 237 ILE H H 1 8.873 0.02 . 1 . . . A 265 ILE H . 30077 1 328 . 1 1 237 237 ILE N N 15 129.335 0.05 . 1 . . . A 265 ILE N . 30077 1 329 . 1 1 238 238 LEU H H 1 9.023 0.02 . 1 . . . A 266 LEU H . 30077 1 330 . 1 1 238 238 LEU N N 15 130.672 0.05 . 1 . . . A 266 LEU N . 30077 1 331 . 1 1 239 239 PHE H H 1 9.144 0.02 . 1 . . . A 267 PHE H . 30077 1 332 . 1 1 239 239 PHE N N 15 126.741 0.05 . 1 . . . A 267 PHE N . 30077 1 333 . 1 1 240 240 LEU H H 1 8.633 0.02 . 1 . . . A 268 LEU H . 30077 1 334 . 1 1 240 240 LEU N N 15 126.937 0.05 . 1 . . . A 268 LEU N . 30077 1 335 . 1 1 241 241 ASN H H 1 8.903 0.02 . 1 . . . A 269 ASN H . 30077 1 336 . 1 1 241 241 ASN N N 15 122.847 0.05 . 1 . . . A 269 ASN N . 30077 1 337 . 1 1 242 242 LYS H H 1 7.664 0.02 . 1 . . . A 270 LYS H . 30077 1 338 . 1 1 242 242 LYS N N 15 114.486 0.05 . 1 . . . A 270 LYS N . 30077 1 339 . 1 1 243 243 LYS H H 1 8.435 0.02 . 1 . . . A 271 LYS H . 30077 1 340 . 1 1 243 243 LYS N N 15 116.964 0.05 . 1 . . . A 271 LYS N . 30077 1 341 . 1 1 244 244 ASP H H 1 9.449 0.02 . 1 . . . A 272 ASP H . 30077 1 342 . 1 1 244 244 ASP N N 15 119.341 0.05 . 1 . . . A 272 ASP N . 30077 1 343 . 1 1 245 245 LEU H H 1 7.056 0.02 . 1 . . . A 273 LEU H . 30077 1 344 . 1 1 245 245 LEU N N 15 120.936 0.05 . 1 . . . A 273 LEU N . 30077 1 345 . 1 1 247 247 GLU H H 1 8.053 0.02 . 1 . . . A 275 GLU H . 30077 1 346 . 1 1 247 247 GLU N N 15 117.262 0.05 . 1 . . . A 275 GLU N . 30077 1 347 . 1 1 248 248 GLU H H 1 6.626 0.02 . 1 . . . A 276 GLU H . 30077 1 348 . 1 1 248 248 GLU N N 15 114.253 0.05 . 1 . . . A 276 GLU N . 30077 1 349 . 1 1 249 249 LYS H H 1 7.925 0.02 . 1 . . . A 277 LYS H . 30077 1 350 . 1 1 249 249 LYS N N 15 119.873 0.05 . 1 . . . A 277 LYS N . 30077 1 351 . 1 1 251 251 LYS H H 1 6.427 0.02 . 1 . . . A 279 LYS H . 30077 1 352 . 1 1 251 251 LYS N N 15 115.687 0.05 . 1 . . . A 279 LYS N . 30077 1 353 . 1 1 252 252 LYS H H 1 7.709 0.02 . 1 . . . A 280 LYS H . 30077 1 354 . 1 1 252 252 LYS N N 15 115.771 0.05 . 1 . . . A 280 LYS N . 30077 1 355 . 1 1 253 253 SER H H 1 7.924 0.02 . 1 . . . A 281 SER H . 30077 1 356 . 1 1 253 253 SER N N 15 117.566 0.05 . 1 . . . A 281 SER N . 30077 1 357 . 1 1 255 255 LEU H H 1 8.241 0.02 . 1 . . . A 283 LEU H . 30077 1 358 . 1 1 255 255 LEU N N 15 123.293 0.05 . 1 . . . A 283 LEU N . 30077 1 359 . 1 1 256 256 THR H H 1 7.563 0.02 . 1 . . . A 284 THR H . 30077 1 360 . 1 1 256 256 THR N N 15 109.074 0.05 . 1 . . . A 284 THR N . 30077 1 361 . 1 1 257 257 ILE H H 1 7.272 0.02 . 1 . . . A 285 ILE H . 30077 1 362 . 1 1 257 257 ILE N N 15 121.083 0.05 . 1 . . . A 285 ILE N . 30077 1 363 . 1 1 258 258 CYS H H 1 7.534 0.02 . 1 . . . A 286 CYS H . 30077 1 364 . 1 1 258 258 CYS N N 15 118.541 0.05 . 1 . . . A 286 CYS N . 30077 1 365 . 1 1 260 260 GLN H H 1 8.670 0.02 . 1 . . . A 288 GLN H . 30077 1 366 . 1 1 260 260 GLN N N 15 124.192 0.05 . 1 . . . A 288 GLN N . 30077 1 367 . 1 1 261 261 GLU H H 1 9.075 0.02 . 1 . . . A 289 GLU H . 30077 1 368 . 1 1 261 261 GLU N N 15 116.331 0.05 . 1 . . . A 289 GLU N . 30077 1 369 . 1 1 262 262 TYR H H 1 7.571 0.02 . 1 . . . A 290 TYR H . 30077 1 370 . 1 1 262 262 TYR N N 15 122.505 0.05 . 1 . . . A 290 TYR N . 30077 1 371 . 1 1 263 263 ALA H H 1 8.316 0.02 . 1 . . . A 291 ALA H . 30077 1 372 . 1 1 263 263 ALA N N 15 133.403 0.05 . 1 . . . A 291 ALA N . 30077 1 373 . 1 1 265 265 SER H H 1 8.021 0.02 . 1 . . . A 293 SER H . 30077 1 374 . 1 1 265 265 SER N N 15 113.291 0.05 . 1 . . . A 293 SER N . 30077 1 375 . 1 1 267 267 THR H H 1 7.347 0.02 . 1 . . . A 295 THR H . 30077 1 376 . 1 1 267 267 THR N N 15 109.124 0.05 . 1 . . . A 295 THR N . 30077 1 377 . 1 1 268 268 TYR H H 1 8.874 0.02 . 1 . . . A 296 TYR H . 30077 1 378 . 1 1 268 268 TYR N N 15 122.642 0.05 . 1 . . . A 296 TYR N . 30077 1 379 . 1 1 269 269 GLU H H 1 9.001 0.02 . 1 . . . A 297 GLU H . 30077 1 380 . 1 1 269 269 GLU N N 15 115.536 0.05 . 1 . . . A 297 GLU N . 30077 1 381 . 1 1 270 270 GLU H H 1 7.219 0.02 . 1 . . . A 298 GLU H . 30077 1 382 . 1 1 270 270 GLU N N 15 117.932 0.05 . 1 . . . A 298 GLU N . 30077 1 383 . 1 1 271 271 ALA H H 1 8.209 0.02 . 1 . . . A 299 ALA H . 30077 1 384 . 1 1 271 271 ALA N N 15 123.002 0.05 . 1 . . . A 299 ALA N . 30077 1 385 . 1 1 272 272 ALA H H 1 8.601 0.02 . 1 . . . A 300 ALA H . 30077 1 386 . 1 1 272 272 ALA N N 15 119.680 0.05 . 1 . . . A 300 ALA N . 30077 1 387 . 1 1 273 273 ALA H H 1 6.926 0.02 . 1 . . . A 301 ALA H . 30077 1 388 . 1 1 273 273 ALA N N 15 117.333 0.05 . 1 . . . A 301 ALA N . 30077 1 389 . 1 1 274 274 TYR H H 1 7.828 0.02 . 1 . . . A 302 TYR H . 30077 1 390 . 1 1 274 274 TYR N N 15 121.115 0.05 . 1 . . . A 302 TYR N . 30077 1 391 . 1 1 276 276 GLN H H 1 8.629 0.02 . 1 . . . A 304 GLN H . 30077 1 392 . 1 1 276 276 GLN N N 15 116.631 0.05 . 1 . . . A 304 GLN N . 30077 1 393 . 1 1 277 277 CYS H H 1 7.560 0.02 . 1 . . . A 305 CYS H . 30077 1 394 . 1 1 277 277 CYS N N 15 115.731 0.05 . 1 . . . A 305 CYS N . 30077 1 395 . 1 1 278 278 GLN H H 1 7.685 0.02 . 1 . . . A 306 GLN H . 30077 1 396 . 1 1 278 278 GLN N N 15 117.437 0.05 . 1 . . . A 306 GLN N . 30077 1 397 . 1 1 279 279 PHE H H 1 7.486 0.02 . 1 . . . A 307 PHE H . 30077 1 398 . 1 1 279 279 PHE N N 15 115.303 0.05 . 1 . . . A 307 PHE N . 30077 1 399 . 1 1 280 280 GLU H H 1 8.453 0.02 . 1 . . . A 308 GLU H . 30077 1 400 . 1 1 280 280 GLU N N 15 117.617 0.05 . 1 . . . A 308 GLU N . 30077 1 401 . 1 1 281 281 ASP H H 1 8.022 0.02 . 1 . . . A 309 ASP H . 30077 1 402 . 1 1 281 281 ASP N N 15 117.315 0.05 . 1 . . . A 309 ASP N . 30077 1 403 . 1 1 282 282 LEU H H 1 7.347 0.02 . 1 . . . A 310 LEU H . 30077 1 404 . 1 1 282 282 LEU N N 15 117.796 0.05 . 1 . . . A 310 LEU N . 30077 1 405 . 1 1 283 283 ASN H H 1 7.082 0.02 . 1 . . . A 311 ASN H . 30077 1 406 . 1 1 283 283 ASN N N 15 116.526 0.05 . 1 . . . A 311 ASN N . 30077 1 407 . 1 1 284 284 LYS H H 1 8.839 0.02 . 1 . . . A 312 LYS H . 30077 1 408 . 1 1 284 284 LYS N N 15 128.601 0.05 . 1 . . . A 312 LYS N . 30077 1 409 . 1 1 285 285 ARG H H 1 7.604 0.02 . 1 . . . A 313 ARG H . 30077 1 410 . 1 1 285 285 ARG N N 15 120.367 0.05 . 1 . . . A 313 ARG N . 30077 1 411 . 1 1 286 286 LYS H H 1 7.394 0.02 . 1 . . . A 314 LYS H . 30077 1 412 . 1 1 286 286 LYS N N 15 120.106 0.05 . 1 . . . A 314 LYS N . 30077 1 413 . 1 1 287 287 ASP H H 1 8.482 0.02 . 1 . . . A 315 ASP H . 30077 1 414 . 1 1 287 287 ASP N N 15 115.233 0.05 . 1 . . . A 315 ASP N . 30077 1 415 . 1 1 288 288 THR H H 1 7.449 0.02 . 1 . . . A 316 THR H . 30077 1 416 . 1 1 288 288 THR N N 15 109.274 0.05 . 1 . . . A 316 THR N . 30077 1 417 . 1 1 289 289 LYS H H 1 8.217 0.02 . 1 . . . A 317 LYS H . 30077 1 418 . 1 1 289 289 LYS N N 15 125.431 0.05 . 1 . . . A 317 LYS N . 30077 1 419 . 1 1 290 290 GLU H H 1 8.182 0.02 . 1 . . . A 318 GLU H . 30077 1 420 . 1 1 290 290 GLU N N 15 125.961 0.05 . 1 . . . A 318 GLU N . 30077 1 421 . 1 1 291 291 ILE H H 1 7.730 0.02 . 1 . . . A 319 ILE H . 30077 1 422 . 1 1 291 291 ILE N N 15 119.656 0.05 . 1 . . . A 319 ILE N . 30077 1 423 . 1 1 292 292 TYR H H 1 8.162 0.02 . 1 . . . A 320 TYR H . 30077 1 424 . 1 1 292 292 TYR N N 15 127.525 0.05 . 1 . . . A 320 TYR N . 30077 1 425 . 1 1 293 293 THR H H 1 7.887 0.02 . 1 . . . A 321 THR H . 30077 1 426 . 1 1 293 293 THR N N 15 122.463 0.05 . 1 . . . A 321 THR N . 30077 1 427 . 1 1 294 294 HIS H H 1 9.058 0.02 . 1 . . . A 322 HIS H . 30077 1 428 . 1 1 294 294 HIS N N 15 125.401 0.05 . 1 . . . A 322 HIS N . 30077 1 429 . 1 1 295 295 PHE H H 1 8.888 0.02 . 1 . . . A 323 PHE H . 30077 1 430 . 1 1 295 295 PHE N N 15 123.526 0.05 . 1 . . . A 323 PHE N . 30077 1 431 . 1 1 296 296 THR H H 1 9.035 0.02 . 1 . . . A 324 THR H . 30077 1 432 . 1 1 296 296 THR N N 15 115.955 0.05 . 1 . . . A 324 THR N . 30077 1 433 . 1 1 297 297 CYS H H 1 8.015 0.02 . 1 . . . A 325 CYS H . 30077 1 434 . 1 1 297 297 CYS N N 15 121.858 0.05 . 1 . . . A 325 CYS N . 30077 1 435 . 1 1 298 298 ALA H H 1 9.134 0.02 . 1 . . . A 326 ALA H . 30077 1 436 . 1 1 298 298 ALA N N 15 129.445 0.05 . 1 . . . A 326 ALA N . 30077 1 437 . 1 1 299 299 THR H H 1 6.782 0.02 . 1 . . . A 327 THR H . 30077 1 438 . 1 1 299 299 THR N N 15 102.684 0.05 . 1 . . . A 327 THR N . 30077 1 439 . 1 1 300 300 ASP H H 1 7.718 0.02 . 1 . . . A 328 ASP H . 30077 1 440 . 1 1 300 300 ASP N N 15 124.263 0.05 . 1 . . . A 328 ASP N . 30077 1 441 . 1 1 301 301 THR H H 1 8.399 0.02 . 1 . . . A 329 THR H . 30077 1 442 . 1 1 301 301 THR N N 15 124.580 0.05 . 1 . . . A 329 THR N . 30077 1 443 . 1 1 302 302 LYS H H 1 7.689 0.02 . 1 . . . A 330 LYS H . 30077 1 444 . 1 1 302 302 LYS N N 15 118.757 0.05 . 1 . . . A 330 LYS N . 30077 1 445 . 1 1 303 303 ASN H H 1 7.526 0.02 . 1 . . . A 331 ASN H . 30077 1 446 . 1 1 303 303 ASN N N 15 119.680 0.05 . 1 . . . A 331 ASN N . 30077 1 447 . 1 1 305 305 GLN H H 1 8.516 0.02 . 1 . . . A 333 GLN H . 30077 1 448 . 1 1 305 305 GLN N N 15 120.430 0.05 . 1 . . . A 333 GLN N . 30077 1 449 . 1 1 306 306 PHE H H 1 7.485 0.02 . 1 . . . A 334 PHE H . 30077 1 450 . 1 1 306 306 PHE N N 15 119.730 0.05 . 1 . . . A 334 PHE N . 30077 1 451 . 1 1 307 307 VAL H H 1 8.400 0.02 . 1 . . . A 335 VAL H . 30077 1 452 . 1 1 307 307 VAL N N 15 120.020 0.05 . 1 . . . A 335 VAL N . 30077 1 453 . 1 1 309 309 ASP H H 1 7.687 0.02 . 1 . . . A 337 ASP H . 30077 1 454 . 1 1 309 309 ASP N N 15 122.490 0.05 . 1 . . . A 337 ASP N . 30077 1 455 . 1 1 310 310 ALA H H 1 6.838 0.02 . 1 . . . A 338 ALA H . 30077 1 456 . 1 1 310 310 ALA N N 15 121.870 0.05 . 1 . . . A 338 ALA N . 30077 1 457 . 1 1 311 311 VAL H H 1 8.384 0.02 . 1 . . . A 339 VAL H . 30077 1 458 . 1 1 311 311 VAL N N 15 120.009 0.05 . 1 . . . A 339 VAL N . 30077 1 459 . 1 1 312 312 THR H H 1 7.865 0.02 . 1 . . . A 340 THR H . 30077 1 460 . 1 1 312 312 THR N N 15 114.978 0.05 . 1 . . . A 340 THR N . 30077 1 461 . 1 1 313 313 ASP H H 1 7.270 0.02 . 1 . . . A 341 ASP H . 30077 1 462 . 1 1 313 313 ASP N N 15 120.969 0.05 . 1 . . . A 341 ASP N . 30077 1 463 . 1 1 314 314 VAL H H 1 7.121 0.02 . 1 . . . A 342 VAL H . 30077 1 464 . 1 1 314 314 VAL N N 15 119.831 0.05 . 1 . . . A 342 VAL N . 30077 1 465 . 1 1 315 315 ILE H H 1 7.526 0.02 . 1 . . . A 343 ILE H . 30077 1 466 . 1 1 315 315 ILE N N 15 120.866 0.05 . 1 . . . A 343 ILE N . 30077 1 467 . 1 1 316 316 ILE H H 1 8.319 0.02 . 1 . . . A 344 ILE H . 30077 1 468 . 1 1 316 316 ILE N N 15 120.736 0.05 . 1 . . . A 344 ILE N . 30077 1 469 . 1 1 317 317 LYS H H 1 7.617 0.02 . 1 . . . A 345 LYS H . 30077 1 470 . 1 1 317 317 LYS N N 15 118.166 0.05 . 1 . . . A 345 LYS N . 30077 1 471 . 1 1 318 318 ASN H H 1 7.976 0.02 . 1 . . . A 346 ASN H . 30077 1 472 . 1 1 318 318 ASN N N 15 115.113 0.05 . 1 . . . A 346 ASN N . 30077 1 473 . 1 1 319 319 ASN H H 1 8.269 0.02 . 1 . . . A 347 ASN H . 30077 1 474 . 1 1 319 319 ASN N N 15 117.577 0.05 . 1 . . . A 347 ASN N . 30077 1 475 . 1 1 320 320 LEU H H 1 7.682 0.02 . 1 . . . A 348 LEU H . 30077 1 476 . 1 1 320 320 LEU N N 15 120.762 0.05 . 1 . . . A 348 LEU N . 30077 1 477 . 1 1 321 321 LYS H H 1 7.753 0.02 . 1 . . . A 349 LYS H . 30077 1 478 . 1 1 321 321 LYS N N 15 120.183 0.05 . 1 . . . A 349 LYS N . 30077 1 479 . 1 1 322 322 ASP H H 1 8.162 0.02 . 1 . . . A 350 ASP H . 30077 1 480 . 1 1 322 322 ASP N N 15 120.095 0.05 . 1 . . . A 350 ASP N . 30077 1 481 . 1 1 323 323 CYS H H 1 7.954 0.02 . 1 . . . A 351 CYS H . 30077 1 482 . 1 1 323 323 CYS N N 15 118.390 0.05 . 1 . . . A 351 CYS N . 30077 1 483 . 1 1 324 324 GLY H H 1 8.261 0.02 . 1 . . . A 352 GLY H . 30077 1 484 . 1 1 324 324 GLY N N 15 110.748 0.05 . 1 . . . A 352 GLY N . 30077 1 485 . 1 1 325 325 LEU H H 1 7.707 0.02 . 1 . . . A 353 LEU H . 30077 1 486 . 1 1 325 325 LEU N N 15 121.432 0.05 . 1 . . . A 353 LEU N . 30077 1 487 . 1 1 326 326 PHE H H 1 7.435 0.02 . 1 . . . A 354 PHE H . 30077 1 488 . 1 1 326 326 PHE N N 15 124.660 0.05 . 1 . . . A 354 PHE N . 30077 1 stop_ save_