data_26976 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26976 _Entry.Title ; AILV Methyl Resonance Assignments for G protein alpha i3 subunit in the GoLoco14-bound state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-12-17 _Entry.Accession_date 2016-12-17 _Entry.Last_release_date 2016-12-19 _Entry.Original_release_date 2016-12-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Yuki Toyama . . . . 26976 2 Hanaho Kano . . . . 26976 3 Yoko Mase . . . . 26976 4 Mariko Yokogawa . . . . 26976 5 Masanori Osawa . . . . 26976 6 Ichio Shimada . . . . 26976 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26976 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 93 26976 '1H chemical shifts' 279 26976 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 . . 2017-02-24 2016-12-17 update BMRB 'update entry citation' 26976 1 . . 2017-02-21 2016-12-17 original author 'original release' 26976 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18103 'Backbone resonance assignments for G protein alpha i3 subunit in the GTP-bound state' 26976 BMRB 19015 'Backbone resonance assignments for G protein alpha i3 subunit in the GDP-bound state' 26976 BMRB 26975 'G protein alpha i3 subunit in the GDP-bound state' 26976 PDB 1KJY 'Crystal Structure of Human G[alpha]i1 Bound to the GoLoco Motif of RGS14' 26976 PDB 2IHB 'Crystal structure of the heterodimeric complex of human RGS10 and activated Gi alpha 3' 26976 PDB 2V4Z ; THE CRYSTAL STRUCTURE OF THE HUMAN G-PROTEIN SUBUNIT ALPHA (GNAI3) IN COMPLEX WITH AN ENGINEERED REGULATOR OF G-PROTEIN SIGNALING TYPE 2 DOMAIN (RGS2) ; 26976 PDB 4G5R 'Structure of LGN GL4/Galphai3 complex' 26976 PDB 4G5S 'Structure of LGN GL3/Galphai3 complex' 26976 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 26976 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/ncomms14523 _Citation.PubMed_ID 28223697 _Citation.Full_citation . _Citation.Title ; Dynamic regulation of GDP binding to G proteins revealed by magnetic field dependent NMR relaxation analyses ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 8 _Citation.Journal_issue 14523 _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 . _Citation.Page_last . _Citation.Year 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yuki Toyama . . . . 26976 1 2 Hanaho Kano . . . . 26976 1 3 Yoko Mase . . . . 26976 1 4 Mariko Yokogawa . . . . 26976 1 5 Masanori Osawa . . . . 26976 1 6 Ichio Shimada . . . . 26976 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'G protein alpha subunit' 26976 1 GoLoco 26976 1 RGS14 26976 1 'heterotrimeric guanine-nucleotide binding protein' 26976 1 'signal transduction' 26976 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26976 _Assembly.ID 1 _Assembly.Name 'G alpha i3 bound to GoLoco14' _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 46000 _Assembly.Enzyme_commission_number . _Assembly.Details 'Galphai3 bound to GoLoco14' _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 'G alphai 3' 1 $G_protein_alpha_subunit_i3 A . yes native no no . . . 26976 1 2 GDP 2 $entity_GDP B . no native no no . . . 26976 1 3 GoLoco14 3 $GoLoco14_(Regulator_of_G-protein_Signaling_14) C . no native no no . . . 26976 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_G_protein_alpha_subunit_i3 _Entity.Sf_category entity _Entity.Sf_framecode G_protein_alpha_subunit_i3 _Entity.Entry_ID 26976 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name G_protein_alpha_subunit_i3 _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 ; GPDDHMGCTLSAEDKAAVER SKMIDRNLREDGEKAAKEVK LLLLGAGESGKSTIVKQMKI IHEDGYSEDECKQYKVVVYS NTIQSIIAIIRAMGRLKIDF GEAARADDARQLFVLAGSAE EGVMTPELAGVIKRLWRDGG VQACFSRSREYQLNDSASYY LNDLDRISQSNYIPTQQDVL RTRVKTTGIVETHFTFKDLY FKMFDVGGQRSERKKWIHCF EGVTAIIFCVALSDYDLVLA EDEEMNRMHESMKLFDSICN NKWFTETSIILFLNKKDLFE EKIKRSPLTICYPEYTGSNT YEEAAAYIQCQFEDLNRRKD TKEIYTHFTCATDTKNVQFV FDAVTDVIIKNNLKECGLY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 359 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P08754 . 'Guanine nucleotide-binding protein G(k) subunit alpha' . . . . . . . . . . . . . . 26976 1 2 yes GB AAM12621.1 . 'guanine nucleotide binding protein alpha i3 [Homo sapiens]' . . . . . . . . . . . . . . 26976 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 -4 GLY . 26976 1 2 -3 PRO . 26976 1 3 -2 ASP . 26976 1 4 -1 ASP . 26976 1 5 0 HIS . 26976 1 6 1 MET . 26976 1 7 2 GLY . 26976 1 8 3 CYS . 26976 1 9 4 THR . 26976 1 10 5 LEU . 26976 1 11 6 SER . 26976 1 12 7 ALA . 26976 1 13 8 GLU . 26976 1 14 9 ASP . 26976 1 15 10 LYS . 26976 1 16 11 ALA . 26976 1 17 12 ALA . 26976 1 18 13 VAL . 26976 1 19 14 GLU . 26976 1 20 15 ARG . 26976 1 21 16 SER . 26976 1 22 17 LYS . 26976 1 23 18 MET . 26976 1 24 19 ILE . 26976 1 25 20 ASP . 26976 1 26 21 ARG . 26976 1 27 22 ASN . 26976 1 28 23 LEU . 26976 1 29 24 ARG . 26976 1 30 25 GLU . 26976 1 31 26 ASP . 26976 1 32 27 GLY . 26976 1 33 28 GLU . 26976 1 34 29 LYS . 26976 1 35 30 ALA . 26976 1 36 31 ALA . 26976 1 37 32 LYS . 26976 1 38 33 GLU . 26976 1 39 34 VAL . 26976 1 40 35 LYS . 26976 1 41 36 LEU . 26976 1 42 37 LEU . 26976 1 43 38 LEU . 26976 1 44 39 LEU . 26976 1 45 40 GLY . 26976 1 46 41 ALA . 26976 1 47 42 GLY . 26976 1 48 43 GLU . 26976 1 49 44 SER . 26976 1 50 45 GLY . 26976 1 51 46 LYS . 26976 1 52 47 SER . 26976 1 53 48 THR . 26976 1 54 49 ILE . 26976 1 55 50 VAL . 26976 1 56 51 LYS . 26976 1 57 52 GLN . 26976 1 58 53 MET . 26976 1 59 54 LYS . 26976 1 60 55 ILE . 26976 1 61 56 ILE . 26976 1 62 57 HIS . 26976 1 63 58 GLU . 26976 1 64 59 ASP . 26976 1 65 60 GLY . 26976 1 66 61 TYR . 26976 1 67 62 SER . 26976 1 68 63 GLU . 26976 1 69 64 ASP . 26976 1 70 65 GLU . 26976 1 71 66 CYS . 26976 1 72 67 LYS . 26976 1 73 68 GLN . 26976 1 74 69 TYR . 26976 1 75 70 LYS . 26976 1 76 71 VAL . 26976 1 77 72 VAL . 26976 1 78 73 VAL . 26976 1 79 74 TYR . 26976 1 80 75 SER . 26976 1 81 76 ASN . 26976 1 82 77 THR . 26976 1 83 78 ILE . 26976 1 84 79 GLN . 26976 1 85 80 SER . 26976 1 86 81 ILE . 26976 1 87 82 ILE . 26976 1 88 83 ALA . 26976 1 89 84 ILE . 26976 1 90 85 ILE . 26976 1 91 86 ARG . 26976 1 92 87 ALA . 26976 1 93 88 MET . 26976 1 94 89 GLY . 26976 1 95 90 ARG . 26976 1 96 91 LEU . 26976 1 97 92 LYS . 26976 1 98 93 ILE . 26976 1 99 94 ASP . 26976 1 100 95 PHE . 26976 1 101 96 GLY . 26976 1 102 97 GLU . 26976 1 103 98 ALA . 26976 1 104 99 ALA . 26976 1 105 100 ARG . 26976 1 106 101 ALA . 26976 1 107 102 ASP . 26976 1 108 103 ASP . 26976 1 109 104 ALA . 26976 1 110 105 ARG . 26976 1 111 106 GLN . 26976 1 112 107 LEU . 26976 1 113 108 PHE . 26976 1 114 109 VAL . 26976 1 115 110 LEU . 26976 1 116 111 ALA . 26976 1 117 112 GLY . 26976 1 118 113 SER . 26976 1 119 114 ALA . 26976 1 120 115 GLU . 26976 1 121 116 GLU . 26976 1 122 117 GLY . 26976 1 123 118 VAL . 26976 1 124 119 MET . 26976 1 125 120 THR . 26976 1 126 121 PRO . 26976 1 127 122 GLU . 26976 1 128 123 LEU . 26976 1 129 124 ALA . 26976 1 130 125 GLY . 26976 1 131 126 VAL . 26976 1 132 127 ILE . 26976 1 133 128 LYS . 26976 1 134 129 ARG . 26976 1 135 130 LEU . 26976 1 136 131 TRP . 26976 1 137 132 ARG . 26976 1 138 133 ASP . 26976 1 139 134 GLY . 26976 1 140 135 GLY . 26976 1 141 136 VAL . 26976 1 142 137 GLN . 26976 1 143 138 ALA . 26976 1 144 139 CYS . 26976 1 145 140 PHE . 26976 1 146 141 SER . 26976 1 147 142 ARG . 26976 1 148 143 SER . 26976 1 149 144 ARG . 26976 1 150 145 GLU . 26976 1 151 146 TYR . 26976 1 152 147 GLN . 26976 1 153 148 LEU . 26976 1 154 149 ASN . 26976 1 155 150 ASP . 26976 1 156 151 SER . 26976 1 157 152 ALA . 26976 1 158 153 SER . 26976 1 159 154 TYR . 26976 1 160 155 TYR . 26976 1 161 156 LEU . 26976 1 162 157 ASN . 26976 1 163 158 ASP . 26976 1 164 159 LEU . 26976 1 165 160 ASP . 26976 1 166 161 ARG . 26976 1 167 162 ILE . 26976 1 168 163 SER . 26976 1 169 164 GLN . 26976 1 170 165 SER . 26976 1 171 166 ASN . 26976 1 172 167 TYR . 26976 1 173 168 ILE . 26976 1 174 169 PRO . 26976 1 175 170 THR . 26976 1 176 171 GLN . 26976 1 177 172 GLN . 26976 1 178 173 ASP . 26976 1 179 174 VAL . 26976 1 180 175 LEU . 26976 1 181 176 ARG . 26976 1 182 177 THR . 26976 1 183 178 ARG . 26976 1 184 179 VAL . 26976 1 185 180 LYS . 26976 1 186 181 THR . 26976 1 187 182 THR . 26976 1 188 183 GLY . 26976 1 189 184 ILE . 26976 1 190 185 VAL . 26976 1 191 186 GLU . 26976 1 192 187 THR . 26976 1 193 188 HIS . 26976 1 194 189 PHE . 26976 1 195 190 THR . 26976 1 196 191 PHE . 26976 1 197 192 LYS . 26976 1 198 193 ASP . 26976 1 199 194 LEU . 26976 1 200 195 TYR . 26976 1 201 196 PHE . 26976 1 202 197 LYS . 26976 1 203 198 MET . 26976 1 204 199 PHE . 26976 1 205 200 ASP . 26976 1 206 201 VAL . 26976 1 207 202 GLY . 26976 1 208 203 GLY . 26976 1 209 204 GLN . 26976 1 210 205 ARG . 26976 1 211 206 SER . 26976 1 212 207 GLU . 26976 1 213 208 ARG . 26976 1 214 209 LYS . 26976 1 215 210 LYS . 26976 1 216 211 TRP . 26976 1 217 212 ILE . 26976 1 218 213 HIS . 26976 1 219 214 CYS . 26976 1 220 215 PHE . 26976 1 221 216 GLU . 26976 1 222 217 GLY . 26976 1 223 218 VAL . 26976 1 224 219 THR . 26976 1 225 220 ALA . 26976 1 226 221 ILE . 26976 1 227 222 ILE . 26976 1 228 223 PHE . 26976 1 229 224 CYS . 26976 1 230 225 VAL . 26976 1 231 226 ALA . 26976 1 232 227 LEU . 26976 1 233 228 SER . 26976 1 234 229 ASP . 26976 1 235 230 TYR . 26976 1 236 231 ASP . 26976 1 237 232 LEU . 26976 1 238 233 VAL . 26976 1 239 234 LEU . 26976 1 240 235 ALA . 26976 1 241 236 GLU . 26976 1 242 237 ASP . 26976 1 243 238 GLU . 26976 1 244 239 GLU . 26976 1 245 240 MET . 26976 1 246 241 ASN . 26976 1 247 242 ARG . 26976 1 248 243 MET . 26976 1 249 244 HIS . 26976 1 250 245 GLU . 26976 1 251 246 SER . 26976 1 252 247 MET . 26976 1 253 248 LYS . 26976 1 254 249 LEU . 26976 1 255 250 PHE . 26976 1 256 251 ASP . 26976 1 257 252 SER . 26976 1 258 253 ILE . 26976 1 259 254 CYS . 26976 1 260 255 ASN . 26976 1 261 256 ASN . 26976 1 262 257 LYS . 26976 1 263 258 TRP . 26976 1 264 259 PHE . 26976 1 265 260 THR . 26976 1 266 261 GLU . 26976 1 267 262 THR . 26976 1 268 263 SER . 26976 1 269 264 ILE . 26976 1 270 265 ILE . 26976 1 271 266 LEU . 26976 1 272 267 PHE . 26976 1 273 268 LEU . 26976 1 274 269 ASN . 26976 1 275 270 LYS . 26976 1 276 271 LYS . 26976 1 277 272 ASP . 26976 1 278 273 LEU . 26976 1 279 274 PHE . 26976 1 280 275 GLU . 26976 1 281 276 GLU . 26976 1 282 277 LYS . 26976 1 283 278 ILE . 26976 1 284 279 LYS . 26976 1 285 280 ARG . 26976 1 286 281 SER . 26976 1 287 282 PRO . 26976 1 288 283 LEU . 26976 1 289 284 THR . 26976 1 290 285 ILE . 26976 1 291 286 CYS . 26976 1 292 287 TYR . 26976 1 293 288 PRO . 26976 1 294 289 GLU . 26976 1 295 290 TYR . 26976 1 296 291 THR . 26976 1 297 292 GLY . 26976 1 298 293 SER . 26976 1 299 294 ASN . 26976 1 300 295 THR . 26976 1 301 296 TYR . 26976 1 302 297 GLU . 26976 1 303 298 GLU . 26976 1 304 299 ALA . 26976 1 305 300 ALA . 26976 1 306 301 ALA . 26976 1 307 302 TYR . 26976 1 308 303 ILE . 26976 1 309 304 GLN . 26976 1 310 305 CYS . 26976 1 311 306 GLN . 26976 1 312 307 PHE . 26976 1 313 308 GLU . 26976 1 314 309 ASP . 26976 1 315 310 LEU . 26976 1 316 311 ASN . 26976 1 317 312 ARG . 26976 1 318 313 ARG . 26976 1 319 314 LYS . 26976 1 320 315 ASP . 26976 1 321 316 THR . 26976 1 322 317 LYS . 26976 1 323 318 GLU . 26976 1 324 319 ILE . 26976 1 325 320 TYR . 26976 1 326 321 THR . 26976 1 327 322 HIS . 26976 1 328 323 PHE . 26976 1 329 324 THR . 26976 1 330 325 CYS . 26976 1 331 326 ALA . 26976 1 332 327 THR . 26976 1 333 328 ASP . 26976 1 334 329 THR . 26976 1 335 330 LYS . 26976 1 336 331 ASN . 26976 1 337 332 VAL . 26976 1 338 333 GLN . 26976 1 339 334 PHE . 26976 1 340 335 VAL . 26976 1 341 336 PHE . 26976 1 342 337 ASP . 26976 1 343 338 ALA . 26976 1 344 339 VAL . 26976 1 345 340 THR . 26976 1 346 341 ASP . 26976 1 347 342 VAL . 26976 1 348 343 ILE . 26976 1 349 344 ILE . 26976 1 350 345 LYS . 26976 1 351 346 ASN . 26976 1 352 347 ASN . 26976 1 353 348 LEU . 26976 1 354 349 LYS . 26976 1 355 350 GLU . 26976 1 356 351 CYS . 26976 1 357 352 GLY . 26976 1 358 353 LEU . 26976 1 359 354 TYR . 26976 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 26976 1 . PRO 2 2 26976 1 . ASP 3 3 26976 1 . ASP 4 4 26976 1 . HIS 5 5 26976 1 . MET 6 6 26976 1 . GLY 7 7 26976 1 . CYS 8 8 26976 1 . THR 9 9 26976 1 . LEU 10 10 26976 1 . SER 11 11 26976 1 . ALA 12 12 26976 1 . GLU 13 13 26976 1 . ASP 14 14 26976 1 . LYS 15 15 26976 1 . ALA 16 16 26976 1 . ALA 17 17 26976 1 . VAL 18 18 26976 1 . GLU 19 19 26976 1 . ARG 20 20 26976 1 . SER 21 21 26976 1 . LYS 22 22 26976 1 . MET 23 23 26976 1 . ILE 24 24 26976 1 . ASP 25 25 26976 1 . ARG 26 26 26976 1 . ASN 27 27 26976 1 . LEU 28 28 26976 1 . ARG 29 29 26976 1 . GLU 30 30 26976 1 . ASP 31 31 26976 1 . GLY 32 32 26976 1 . GLU 33 33 26976 1 . LYS 34 34 26976 1 . ALA 35 35 26976 1 . ALA 36 36 26976 1 . LYS 37 37 26976 1 . GLU 38 38 26976 1 . VAL 39 39 26976 1 . LYS 40 40 26976 1 . LEU 41 41 26976 1 . LEU 42 42 26976 1 . LEU 43 43 26976 1 . LEU 44 44 26976 1 . GLY 45 45 26976 1 . ALA 46 46 26976 1 . GLY 47 47 26976 1 . GLU 48 48 26976 1 . SER 49 49 26976 1 . GLY 50 50 26976 1 . LYS 51 51 26976 1 . SER 52 52 26976 1 . THR 53 53 26976 1 . ILE 54 54 26976 1 . VAL 55 55 26976 1 . LYS 56 56 26976 1 . GLN 57 57 26976 1 . MET 58 58 26976 1 . LYS 59 59 26976 1 . ILE 60 60 26976 1 . ILE 61 61 26976 1 . HIS 62 62 26976 1 . GLU 63 63 26976 1 . ASP 64 64 26976 1 . GLY 65 65 26976 1 . TYR 66 66 26976 1 . SER 67 67 26976 1 . GLU 68 68 26976 1 . ASP 69 69 26976 1 . GLU 70 70 26976 1 . CYS 71 71 26976 1 . LYS 72 72 26976 1 . GLN 73 73 26976 1 . TYR 74 74 26976 1 . LYS 75 75 26976 1 . VAL 76 76 26976 1 . VAL 77 77 26976 1 . VAL 78 78 26976 1 . TYR 79 79 26976 1 . SER 80 80 26976 1 . ASN 81 81 26976 1 . THR 82 82 26976 1 . ILE 83 83 26976 1 . GLN 84 84 26976 1 . SER 85 85 26976 1 . ILE 86 86 26976 1 . ILE 87 87 26976 1 . ALA 88 88 26976 1 . ILE 89 89 26976 1 . ILE 90 90 26976 1 . ARG 91 91 26976 1 . ALA 92 92 26976 1 . MET 93 93 26976 1 . GLY 94 94 26976 1 . ARG 95 95 26976 1 . LEU 96 96 26976 1 . LYS 97 97 26976 1 . ILE 98 98 26976 1 . ASP 99 99 26976 1 . PHE 100 100 26976 1 . GLY 101 101 26976 1 . GLU 102 102 26976 1 . ALA 103 103 26976 1 . ALA 104 104 26976 1 . ARG 105 105 26976 1 . ALA 106 106 26976 1 . ASP 107 107 26976 1 . ASP 108 108 26976 1 . ALA 109 109 26976 1 . ARG 110 110 26976 1 . GLN 111 111 26976 1 . LEU 112 112 26976 1 . PHE 113 113 26976 1 . VAL 114 114 26976 1 . LEU 115 115 26976 1 . ALA 116 116 26976 1 . GLY 117 117 26976 1 . SER 118 118 26976 1 . ALA 119 119 26976 1 . GLU 120 120 26976 1 . GLU 121 121 26976 1 . GLY 122 122 26976 1 . VAL 123 123 26976 1 . MET 124 124 26976 1 . THR 125 125 26976 1 . PRO 126 126 26976 1 . GLU 127 127 26976 1 . LEU 128 128 26976 1 . ALA 129 129 26976 1 . GLY 130 130 26976 1 . VAL 131 131 26976 1 . ILE 132 132 26976 1 . LYS 133 133 26976 1 . ARG 134 134 26976 1 . LEU 135 135 26976 1 . TRP 136 136 26976 1 . ARG 137 137 26976 1 . ASP 138 138 26976 1 . GLY 139 139 26976 1 . GLY 140 140 26976 1 . VAL 141 141 26976 1 . GLN 142 142 26976 1 . ALA 143 143 26976 1 . CYS 144 144 26976 1 . PHE 145 145 26976 1 . SER 146 146 26976 1 . ARG 147 147 26976 1 . SER 148 148 26976 1 . ARG 149 149 26976 1 . GLU 150 150 26976 1 . TYR 151 151 26976 1 . GLN 152 152 26976 1 . LEU 153 153 26976 1 . ASN 154 154 26976 1 . ASP 155 155 26976 1 . SER 156 156 26976 1 . ALA 157 157 26976 1 . SER 158 158 26976 1 . TYR 159 159 26976 1 . TYR 160 160 26976 1 . LEU 161 161 26976 1 . ASN 162 162 26976 1 . ASP 163 163 26976 1 . LEU 164 164 26976 1 . ASP 165 165 26976 1 . ARG 166 166 26976 1 . ILE 167 167 26976 1 . SER 168 168 26976 1 . GLN 169 169 26976 1 . SER 170 170 26976 1 . ASN 171 171 26976 1 . TYR 172 172 26976 1 . ILE 173 173 26976 1 . PRO 174 174 26976 1 . THR 175 175 26976 1 . GLN 176 176 26976 1 . GLN 177 177 26976 1 . ASP 178 178 26976 1 . VAL 179 179 26976 1 . LEU 180 180 26976 1 . ARG 181 181 26976 1 . THR 182 182 26976 1 . ARG 183 183 26976 1 . VAL 184 184 26976 1 . LYS 185 185 26976 1 . THR 186 186 26976 1 . THR 187 187 26976 1 . GLY 188 188 26976 1 . ILE 189 189 26976 1 . VAL 190 190 26976 1 . GLU 191 191 26976 1 . THR 192 192 26976 1 . HIS 193 193 26976 1 . PHE 194 194 26976 1 . THR 195 195 26976 1 . PHE 196 196 26976 1 . LYS 197 197 26976 1 . ASP 198 198 26976 1 . LEU 199 199 26976 1 . TYR 200 200 26976 1 . PHE 201 201 26976 1 . LYS 202 202 26976 1 . MET 203 203 26976 1 . PHE 204 204 26976 1 . ASP 205 205 26976 1 . VAL 206 206 26976 1 . GLY 207 207 26976 1 . GLY 208 208 26976 1 . GLN 209 209 26976 1 . ARG 210 210 26976 1 . SER 211 211 26976 1 . GLU 212 212 26976 1 . ARG 213 213 26976 1 . LYS 214 214 26976 1 . LYS 215 215 26976 1 . TRP 216 216 26976 1 . ILE 217 217 26976 1 . HIS 218 218 26976 1 . CYS 219 219 26976 1 . PHE 220 220 26976 1 . GLU 221 221 26976 1 . GLY 222 222 26976 1 . VAL 223 223 26976 1 . THR 224 224 26976 1 . ALA 225 225 26976 1 . ILE 226 226 26976 1 . ILE 227 227 26976 1 . PHE 228 228 26976 1 . CYS 229 229 26976 1 . VAL 230 230 26976 1 . ALA 231 231 26976 1 . LEU 232 232 26976 1 . SER 233 233 26976 1 . ASP 234 234 26976 1 . TYR 235 235 26976 1 . ASP 236 236 26976 1 . LEU 237 237 26976 1 . VAL 238 238 26976 1 . LEU 239 239 26976 1 . ALA 240 240 26976 1 . GLU 241 241 26976 1 . ASP 242 242 26976 1 . GLU 243 243 26976 1 . GLU 244 244 26976 1 . MET 245 245 26976 1 . ASN 246 246 26976 1 . ARG 247 247 26976 1 . MET 248 248 26976 1 . HIS 249 249 26976 1 . GLU 250 250 26976 1 . SER 251 251 26976 1 . MET 252 252 26976 1 . LYS 253 253 26976 1 . LEU 254 254 26976 1 . PHE 255 255 26976 1 . ASP 256 256 26976 1 . SER 257 257 26976 1 . ILE 258 258 26976 1 . CYS 259 259 26976 1 . ASN 260 260 26976 1 . ASN 261 261 26976 1 . LYS 262 262 26976 1 . TRP 263 263 26976 1 . PHE 264 264 26976 1 . THR 265 265 26976 1 . GLU 266 266 26976 1 . THR 267 267 26976 1 . SER 268 268 26976 1 . ILE 269 269 26976 1 . ILE 270 270 26976 1 . LEU 271 271 26976 1 . PHE 272 272 26976 1 . LEU 273 273 26976 1 . ASN 274 274 26976 1 . LYS 275 275 26976 1 . LYS 276 276 26976 1 . ASP 277 277 26976 1 . LEU 278 278 26976 1 . PHE 279 279 26976 1 . GLU 280 280 26976 1 . GLU 281 281 26976 1 . LYS 282 282 26976 1 . ILE 283 283 26976 1 . LYS 284 284 26976 1 . ARG 285 285 26976 1 . SER 286 286 26976 1 . PRO 287 287 26976 1 . LEU 288 288 26976 1 . THR 289 289 26976 1 . ILE 290 290 26976 1 . CYS 291 291 26976 1 . TYR 292 292 26976 1 . PRO 293 293 26976 1 . GLU 294 294 26976 1 . TYR 295 295 26976 1 . THR 296 296 26976 1 . GLY 297 297 26976 1 . SER 298 298 26976 1 . ASN 299 299 26976 1 . THR 300 300 26976 1 . TYR 301 301 26976 1 . GLU 302 302 26976 1 . GLU 303 303 26976 1 . ALA 304 304 26976 1 . ALA 305 305 26976 1 . ALA 306 306 26976 1 . TYR 307 307 26976 1 . ILE 308 308 26976 1 . GLN 309 309 26976 1 . CYS 310 310 26976 1 . GLN 311 311 26976 1 . PHE 312 312 26976 1 . GLU 313 313 26976 1 . ASP 314 314 26976 1 . LEU 315 315 26976 1 . ASN 316 316 26976 1 . ARG 317 317 26976 1 . ARG 318 318 26976 1 . LYS 319 319 26976 1 . ASP 320 320 26976 1 . THR 321 321 26976 1 . LYS 322 322 26976 1 . GLU 323 323 26976 1 . ILE 324 324 26976 1 . TYR 325 325 26976 1 . THR 326 326 26976 1 . HIS 327 327 26976 1 . PHE 328 328 26976 1 . THR 329 329 26976 1 . CYS 330 330 26976 1 . ALA 331 331 26976 1 . THR 332 332 26976 1 . ASP 333 333 26976 1 . THR 334 334 26976 1 . LYS 335 335 26976 1 . ASN 336 336 26976 1 . VAL 337 337 26976 1 . GLN 338 338 26976 1 . PHE 339 339 26976 1 . VAL 340 340 26976 1 . PHE 341 341 26976 1 . ASP 342 342 26976 1 . ALA 343 343 26976 1 . VAL 344 344 26976 1 . THR 345 345 26976 1 . ASP 346 346 26976 1 . VAL 347 347 26976 1 . ILE 348 348 26976 1 . ILE 349 349 26976 1 . LYS 350 350 26976 1 . ASN 351 351 26976 1 . ASN 352 352 26976 1 . LEU 353 353 26976 1 . LYS 354 354 26976 1 . GLU 355 355 26976 1 . CYS 356 356 26976 1 . GLY 357 357 26976 1 . LEU 358 358 26976 1 . TYR 359 359 26976 1 stop_ save_ save_entity_GDP _Entity.Sf_category entity _Entity.Sf_framecode entity_GDP _Entity.Entry_ID 26976 _Entity.ID 2 _Entity.BMRB_code GDP _Entity.Name entity_GDP _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID GDP _Entity.Nonpolymer_comp_label $chem_comp_GDP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 443.201 _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 GUANOSINE-5'-DIPHOSPHATE BMRB 26976 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID GUANOSINE-5'-DIPHOSPHATE BMRB 26976 2 GDP 'Three letter code' 26976 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GDP $chem_comp_GDP 26976 2 stop_ save_ save_GoLoco14_(Regulator_of_G-protein_Signaling_14) _Entity.Sf_category entity _Entity.Sf_framecode GoLoco14_(Regulator_of_G-protein_Signaling_14) _Entity.Entry_ID 26976 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name GoLoco14_(Regulator_of_G-protein_Signaling_14) _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 ; GPLGSDIEGLVELLNRVQSS GAHDQRGLLRKEDLVLPEFL Q ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 41 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP O08773 . 'Regulator of G-protein signaling 14' . . . . . . . . . . . . . . 26976 3 2 yes GB AAH91132.1 . 'Rgs14 protein [Rattus norvegicus]' . . . . . . . . . . . . . . 26976 3 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 . GLY . 26976 3 2 . PRO . 26976 3 3 . LEU . 26976 3 4 . GLY . 26976 3 5 . SER . 26976 3 6 . ASP . 26976 3 7 . ILE . 26976 3 8 . GLU . 26976 3 9 . GLY . 26976 3 10 . LEU . 26976 3 11 . VAL . 26976 3 12 . GLU . 26976 3 13 . LEU . 26976 3 14 . LEU . 26976 3 15 . ASN . 26976 3 16 . ARG . 26976 3 17 . VAL . 26976 3 18 . GLN . 26976 3 19 . SER . 26976 3 20 . SER . 26976 3 21 . GLY . 26976 3 22 . ALA . 26976 3 23 . HIS . 26976 3 24 . ASP . 26976 3 25 . GLN . 26976 3 26 . ARG . 26976 3 27 . GLY . 26976 3 28 . LEU . 26976 3 29 . LEU . 26976 3 30 . ARG . 26976 3 31 . LYS . 26976 3 32 . GLU . 26976 3 33 . ASP . 26976 3 34 . LEU . 26976 3 35 . VAL . 26976 3 36 . LEU . 26976 3 37 . PRO . 26976 3 38 . GLU . 26976 3 39 . PHE . 26976 3 40 . LEU . 26976 3 41 . GLN . 26976 3 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 26976 3 . PRO 2 2 26976 3 . LEU 3 3 26976 3 . GLY 4 4 26976 3 . SER 5 5 26976 3 . ASP 6 6 26976 3 . ILE 7 7 26976 3 . GLU 8 8 26976 3 . GLY 9 9 26976 3 . LEU 10 10 26976 3 . VAL 11 11 26976 3 . GLU 12 12 26976 3 . LEU 13 13 26976 3 . LEU 14 14 26976 3 . ASN 15 15 26976 3 . ARG 16 16 26976 3 . VAL 17 17 26976 3 . GLN 18 18 26976 3 . SER 19 19 26976 3 . SER 20 20 26976 3 . GLY 21 21 26976 3 . ALA 22 22 26976 3 . HIS 23 23 26976 3 . ASP 24 24 26976 3 . GLN 25 25 26976 3 . ARG 26 26 26976 3 . GLY 27 27 26976 3 . LEU 28 28 26976 3 . LEU 29 29 26976 3 . ARG 30 30 26976 3 . LYS 31 31 26976 3 . GLU 32 32 26976 3 . ASP 33 33 26976 3 . LEU 34 34 26976 3 . VAL 35 35 26976 3 . LEU 36 36 26976 3 . PRO 37 37 26976 3 . GLU 38 38 26976 3 . PHE 39 39 26976 3 . LEU 40 40 26976 3 . GLN 41 41 26976 3 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 26976 _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 $G_protein_alpha_subunit_i3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26976 1 2 3 $GoLoco14_(Regulator_of_G-protein_Signaling_14) . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . 26976 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 26976 _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 $G_protein_alpha_subunit_i3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET24d(+) . . . 26976 1 2 3 $GoLoco14_(Regulator_of_G-protein_Signaling_14) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli C41(DE3) . . . . . pGEX-6P-1 . . . 26976 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_GDP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_GDP _Chem_comp.Entry_ID 26976 _Chem_comp.ID GDP _Chem_comp.Provenance PDB _Chem_comp.Name GUANOSINE-5'-DIPHOSPHATE _Chem_comp.Type 'RNA LINKING' _Chem_comp.BMRB_code GDP _Chem_comp.PDB_code GDP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2014-05-13 _Chem_comp.Modified_date 2014-05-13 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code G _Chem_comp.Three_letter_code GDP _Chem_comp.Number_atoms_all 43 _Chem_comp.Number_atoms_nh 28 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID G _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H15 N5 O11 P2' _Chem_comp.Formula_weight 443.201 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1EK0 _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID ; InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 ; InChI InChI 1.03 26976 GDP NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.385 26976 GDP NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.385 26976 GDP O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O SMILES ACDLabs 12.01 26976 GDP QGWNDRXFNXRZMB-UUOKFMHZSA-N InChIKey InChI 1.03 26976 GDP c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N SMILES 'OpenEye OEToolkits' 1.7.6 26976 GDP c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 26976 GDP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 26976 GDP "guanosine 5'-(trihydrogen diphosphate)" 'SYSTEMATIC NAME' ACDLabs 12.01 26976 GDP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID PB PB PB PB . P . . N 0 . . . 1 no no . . . . 13.635 . 17.027 . 28.402 . -5.743 -1.471 0.475 1 . 26976 GDP O1B O1B O1B O1B . O . . N 0 . . . 1 no no . . . . 14.317 . 18.299 . 28.131 . -6.829 -0.831 -0.300 2 . 26976 GDP O2B O2B O2B O2B . O . . N 0 . . . 1 no no . . . . 14.465 . 15.868 . 28.851 . -6.293 -1.885 1.930 3 . 26976 GDP O3B O3B O3B O3B . O . . N 0 . . . 1 no no . . . . 12.657 . 17.014 . 29.609 . -5.234 -2.787 -0.301 4 . 26976 GDP O3A O3A O3A O3A . O . . N 0 . . . 1 no no . . . . 13.031 . 16.438 . 26.904 . -4.519 -0.438 0.638 5 . 26976 GDP PA PA PA PA . P . . N 0 . . . 1 no no . . . . 12.164 . 17.382 . 25.843 . -3.821 0.633 -0.340 6 . 26976 GDP O1A O1A O1A O1A . O . . N 0 . . . 1 no no . . . . 11.308 . 16.310 . 25.239 . -3.718 0.063 -1.702 7 . 26976 GDP O2A O2A O2A O2A . O . . N 0 . . . 1 no no . . . . 11.654 . 18.737 . 26.082 . -4.708 1.976 -0.386 8 . 26976 GDP O5' O5' O5' O5' . O . . N 0 . . . 1 no no . . . . 13.417 . 17.470 . 24.852 . -2.348 0.981 0.208 9 . 26976 GDP C5' C5' C5' C5' . C . . N 0 . . . 1 no no . . . . 14.543 . 18.324 . 25.037 . -1.434 1.823 -0.497 10 . 26976 GDP C4' C4' C4' C4' . C . . R 0 . . . 1 no no . . . . 15.043 . 18.710 . 23.648 . -0.133 1.943 0.299 11 . 26976 GDP O4' O4' O4' O4' . O . . N 0 . . . 1 no no . . . . 15.183 . 17.536 . 22.793 . 0.533 0.670 0.344 12 . 26976 GDP C3' C3' C3' C3' . C . . S 0 . . . 1 no no . . . . 13.926 . 19.400 . 22.829 . 0.820 2.933 -0.399 13 . 26976 GDP O3' O3' O3' O3' . O . . N 0 . . . 1 no no . . . . 14.002 . 20.787 . 23.226 . 1.125 4.028 0.467 14 . 26976 GDP C2' C2' C2' C2' . C . . R 0 . . . 1 no no . . . . 14.511 . 19.303 . 21.406 . 2.091 2.098 -0.686 15 . 26976 GDP O2' O2' O2' O2' . O . . N 0 . . . 1 no no . . . . 15.627 . 20.165 . 21.220 . 3.271 2.861 -0.428 16 . 26976 GDP C1' C1' C1' C1' . C . . R 0 . . . 1 no no . . . . 15.015 . 17.874 . 21.438 . 1.952 0.935 0.329 17 . 26976 GDP N9 N9 N9 N9 . N . . N 0 . . . 1 yes no . . . . 13.968 . 16.928 . 20.922 . 2.691 -0.243 -0.132 18 . 26976 GDP C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . 13.129 . 16.056 . 21.555 . 2.200 -1.252 -0.908 19 . 26976 GDP N7 N7 N7 N7 . N . . N 0 . . . 1 yes no . . . . 12.358 . 15.405 . 20.737 . 3.131 -2.134 -1.125 20 . 26976 GDP C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . 12.701 . 15.869 . 19.474 . 4.272 -1.746 -0.504 21 . 26976 GDP C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 12.214 . 15.545 . 18.183 . 5.571 -2.295 -0.396 22 . 26976 GDP O6 O6 O6 O6 . O . . N 0 . . . 1 no no . . . . 11.326 . 14.728 . 17.882 . 5.850 -3.350 -0.939 23 . 26976 GDP N1 N1 N1 N1 . N . . N 0 . . . 1 no no . . . . 12.870 . 16.282 . 17.187 . 6.495 -1.620 0.324 24 . 26976 GDP C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 13.858 . 17.205 . 17.402 . 6.171 -0.441 0.927 25 . 26976 GDP N2 N2 N2 N2 . N . . N 0 . . . 1 no no . . . . 14.348 . 17.795 . 16.316 . 7.130 0.222 1.651 26 . 26976 GDP N3 N3 N3 N3 . N . . N 0 . . . 1 no no . . . . 14.329 . 17.524 . 18.614 . 4.968 0.079 0.834 27 . 26976 GDP C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . 13.701 . 16.819 . 19.565 . 4.003 -0.529 0.133 28 . 26976 GDP HOB2 HOB2 HOB2 HOB2 . H . . N 0 . . . 0 no no . . . . 15.376 . 16.131 . 28.902 . -7.033 -2.508 1.908 29 . 26976 GDP HOB3 HOB3 HOB3 HOB3 . H . . N 0 . . . 0 no no . . . . 12.643 . 17.873 . 30.015 . -4.521 -3.259 0.151 30 . 26976 GDP HOA2 HOA2 HOA2 HOA2 . H . . N 0 . . . 0 no no . . . . 10.749 . 18.789 . 25.799 . -4.818 2.404 0.474 31 . 26976 GDP H5' H5' H5' H5'1 . H . . N 0 . . . 1 no no . . . . 14.247 . 19.224 . 25.596 . -1.222 1.390 -1.475 32 . 26976 GDP H5'' H5'' H5'' H5'2 . H . . N 0 . . . 0 no no . . . . 15.333 . 17.793 . 25.589 . -1.874 2.811 -0.625 33 . 26976 GDP H4' H4' H4' H4' . H . . N 0 . . . 1 no no . . . . 15.955 . 19.324 . 23.692 . -0.349 2.285 1.312 34 . 26976 GDP H3' H3' H3' H3' . H . . N 0 . . . 1 no no . . . . 12.939 . 18.927 . 22.938 . 0.380 3.294 -1.329 35 . 26976 GDP HO3' HO3' HO3' HO3' . H . . N 0 . . . 0 no yes . . . . 13.340 . 21.286 . 22.762 . 1.722 4.683 0.078 36 . 26976 GDP H2' H2' H2' H2' . H . . N 0 . . . 1 no no . . . . 13.729 . 19.439 . 20.644 . 2.088 1.724 -1.710 37 . 26976 GDP HO2' HO2' HO2' HO2' . H . . N 0 . . . 0 no no . . . . 15.954 . 20.073 . 20.333 . 3.357 3.652 -0.979 38 . 26976 GDP H1' H1' H1' H1' . H . . N 0 . . . 1 no no . . . . 15.948 . 17.778 . 20.863 . 2.295 1.244 1.316 39 . 26976 GDP H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . 13.109 . 15.921 . 22.626 . 1.190 -1.310 -1.285 40 . 26976 GDP HN1 HN1 HN1 HN1 . H . . N 0 . . . 1 no no . . . . 12.593 . 16.120 . 16.240 . 7.392 -1.977 0.412 41 . 26976 GDP HN21 HN21 HN21 HN21 . H . . N 0 . . . 0 no no . . . . 15.071 . 18.480 . 16.402 . 8.023 -0.150 1.728 42 . 26976 GDP HN22 HN22 HN22 HN22 . H . . N 0 . . . 0 no no . . . . 13.993 . 17.554 . 15.413 . 6.915 1.062 2.086 43 . 26976 GDP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PB O1B no N 1 . 26976 GDP 2 . SING PB O2B no N 2 . 26976 GDP 3 . SING PB O3B no N 3 . 26976 GDP 4 . SING PB O3A no N 4 . 26976 GDP 5 . SING O2B HOB2 no N 5 . 26976 GDP 6 . SING O3B HOB3 no N 6 . 26976 GDP 7 . SING O3A PA no N 7 . 26976 GDP 8 . DOUB PA O1A no N 8 . 26976 GDP 9 . SING PA O2A no N 9 . 26976 GDP 10 . SING PA O5' no N 10 . 26976 GDP 11 . SING O2A HOA2 no N 11 . 26976 GDP 12 . SING O5' C5' no N 12 . 26976 GDP 13 . SING C5' C4' no N 13 . 26976 GDP 14 . SING C5' H5' no N 14 . 26976 GDP 15 . SING C5' H5'' no N 15 . 26976 GDP 16 . SING C4' O4' no N 16 . 26976 GDP 17 . SING C4' C3' no N 17 . 26976 GDP 18 . SING C4' H4' no N 18 . 26976 GDP 19 . SING O4' C1' no N 19 . 26976 GDP 20 . SING C3' O3' no N 20 . 26976 GDP 21 . SING C3' C2' no N 21 . 26976 GDP 22 . SING C3' H3' no N 22 . 26976 GDP 23 . SING O3' HO3' no N 23 . 26976 GDP 24 . SING C2' O2' no N 24 . 26976 GDP 25 . SING C2' C1' no N 25 . 26976 GDP 26 . SING C2' H2' no N 26 . 26976 GDP 27 . SING O2' HO2' no N 27 . 26976 GDP 28 . SING C1' N9 no N 28 . 26976 GDP 29 . SING C1' H1' no N 29 . 26976 GDP 30 . SING N9 C8 yes N 30 . 26976 GDP 31 . SING N9 C4 yes N 31 . 26976 GDP 32 . DOUB C8 N7 yes N 32 . 26976 GDP 33 . SING C8 H8 no N 33 . 26976 GDP 34 . SING N7 C5 yes N 34 . 26976 GDP 35 . SING C5 C6 no N 35 . 26976 GDP 36 . DOUB C5 C4 yes N 36 . 26976 GDP 37 . DOUB C6 O6 no N 37 . 26976 GDP 38 . SING C6 N1 no N 38 . 26976 GDP 39 . SING N1 C2 no N 39 . 26976 GDP 40 . SING N1 HN1 no N 40 . 26976 GDP 41 . SING C2 N2 no N 41 . 26976 GDP 42 . DOUB C2 N3 no N 42 . 26976 GDP 43 . SING N2 HN21 no N 43 . 26976 GDP 44 . SING N2 HN22 no N 44 . 26976 GDP 45 . SING N3 C4 no N 45 . 26976 GDP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26976 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 i3' '[U-2H, AILVproS 1H,13C]' . . 1 $G_protein_alpha_subunit_i3 . . 270 . . uM . . . . 26976 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 26976 1 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 26976 1 4 GUANOSINE-5'-DIPHOSPHATE 'natural abundance' . . 2 $entity_GDP . . 500 . . uM . . . . 26976 1 5 'GoLoco14 (Regulator of G-protein Signaling 14)' 'natural abundance' . . 3 $GoLoco14_(Regulator_of_G-protein_Signaling_14) . . 290 . . uM . . . . 26976 1 6 DSS 'natural abundance' . . . . . . 100 . . uM . . . . 26976 1 7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 26976 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 26976 _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' 20 . mM 26976 1 pH 7 . pH 26976 1 pressure 1 . atm 26976 1 temperature 293 . K 26976 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26976 _Software.ID 1 _Software.Name TOPSPIN _Software.Version v3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26976 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26976 1 processing 26976 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26976 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.114 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26976 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26976 2 'data analysis' 26976 2 'peak picking' 26976 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26976 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 26976 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 26976 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 26976 _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-13C HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26976 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26976 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 26976 _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 0.00 na indirect 0.251449530 . . . . . 26976 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26976 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 26976 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _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-13C HMQC' . . . 26976 1 2 '3D 1H-13C NOESY aliphatic' . . . 26976 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 10 10 LEU HD21 H 1 0.839 0.0196 . 2 . . . . 5 LEU HD2 . 26976 1 2 . 1 1 10 10 LEU HD22 H 1 0.839 0.0196 . 2 . . . . 5 LEU HD2 . 26976 1 3 . 1 1 10 10 LEU HD23 H 1 0.839 0.0196 . 2 . . . . 5 LEU HD2 . 26976 1 4 . 1 1 10 10 LEU CD2 C 13 23.308 0.133 . 2 . . . . 5 LEU CD2 . 26976 1 5 . 1 1 12 12 ALA HB1 H 1 1.426 0.0196 . 1 . . . . 7 ALA HB . 26976 1 6 . 1 1 12 12 ALA HB2 H 1 1.426 0.0196 . 1 . . . . 7 ALA HB . 26976 1 7 . 1 1 12 12 ALA HB3 H 1 1.426 0.0196 . 1 . . . . 7 ALA HB . 26976 1 8 . 1 1 12 12 ALA CB C 13 18.478 0.133 . 1 . . . . 7 ALA CB . 26976 1 9 . 1 1 16 16 ALA HB1 H 1 1.444 0.0196 . 1 . . . . 11 ALA HB . 26976 1 10 . 1 1 16 16 ALA HB2 H 1 1.444 0.0196 . 1 . . . . 11 ALA HB . 26976 1 11 . 1 1 16 16 ALA HB3 H 1 1.444 0.0196 . 1 . . . . 11 ALA HB . 26976 1 12 . 1 1 16 16 ALA CB C 13 18.198 0.133 . 1 . . . . 11 ALA CB . 26976 1 13 . 1 1 17 17 ALA HB1 H 1 1.484 0.0196 . 1 . . . . 12 ALA HB . 26976 1 14 . 1 1 17 17 ALA HB2 H 1 1.484 0.0196 . 1 . . . . 12 ALA HB . 26976 1 15 . 1 1 17 17 ALA HB3 H 1 1.484 0.0196 . 1 . . . . 12 ALA HB . 26976 1 16 . 1 1 17 17 ALA CB C 13 18.347 0.133 . 1 . . . . 12 ALA CB . 26976 1 17 . 1 1 18 18 VAL HG21 H 1 1.007 0.0196 . 2 . . . . 13 VAL HG2 . 26976 1 18 . 1 1 18 18 VAL HG22 H 1 1.007 0.0196 . 2 . . . . 13 VAL HG2 . 26976 1 19 . 1 1 18 18 VAL HG23 H 1 1.007 0.0196 . 2 . . . . 13 VAL HG2 . 26976 1 20 . 1 1 18 18 VAL CG2 C 13 21.405 0.133 . 2 . . . . 13 VAL CG2 . 26976 1 21 . 1 1 24 24 ILE HD11 H 1 0.831 0.0196 . 1 . . . . 19 ILE HD1 . 26976 1 22 . 1 1 24 24 ILE HD12 H 1 0.831 0.0196 . 1 . . . . 19 ILE HD1 . 26976 1 23 . 1 1 24 24 ILE HD13 H 1 0.831 0.0196 . 1 . . . . 19 ILE HD1 . 26976 1 24 . 1 1 24 24 ILE CD1 C 13 12.691 0.133 . 1 . . . . 19 ILE CD1 . 26976 1 25 . 1 1 28 28 LEU HD21 H 1 0.822 0.0196 . 2 . . . . 23 LEU HD2 . 26976 1 26 . 1 1 28 28 LEU HD22 H 1 0.822 0.0196 . 2 . . . . 23 LEU HD2 . 26976 1 27 . 1 1 28 28 LEU HD23 H 1 0.822 0.0196 . 2 . . . . 23 LEU HD2 . 26976 1 28 . 1 1 28 28 LEU CD2 C 13 23.082 0.133 . 2 . . . . 23 LEU CD2 . 26976 1 29 . 1 1 35 35 ALA HB1 H 1 1.311 0.0196 . 1 . . . . 30 ALA HB . 26976 1 30 . 1 1 35 35 ALA HB2 H 1 1.311 0.0196 . 1 . . . . 30 ALA HB . 26976 1 31 . 1 1 35 35 ALA HB3 H 1 1.311 0.0196 . 1 . . . . 30 ALA HB . 26976 1 32 . 1 1 35 35 ALA CB C 13 19.163 0.133 . 1 . . . . 30 ALA CB . 26976 1 33 . 1 1 36 36 ALA HB1 H 1 1.287 0.0196 . 1 . . . . 31 ALA HB . 26976 1 34 . 1 1 36 36 ALA HB2 H 1 1.287 0.0196 . 1 . . . . 31 ALA HB . 26976 1 35 . 1 1 36 36 ALA HB3 H 1 1.287 0.0196 . 1 . . . . 31 ALA HB . 26976 1 36 . 1 1 36 36 ALA CB C 13 19.281 0.133 . 1 . . . . 31 ALA CB . 26976 1 37 . 1 1 39 39 VAL HG21 H 1 0.344 0.0196 . 2 . . . . 34 VAL HG2 . 26976 1 38 . 1 1 39 39 VAL HG22 H 1 0.344 0.0196 . 2 . . . . 34 VAL HG2 . 26976 1 39 . 1 1 39 39 VAL HG23 H 1 0.344 0.0196 . 2 . . . . 34 VAL HG2 . 26976 1 40 . 1 1 39 39 VAL CG2 C 13 20.624 0.133 . 2 . . . . 34 VAL CG2 . 26976 1 41 . 1 1 41 41 LEU HD21 H 1 0.954 0.0196 . 2 . . . . 36 LEU HD2 . 26976 1 42 . 1 1 41 41 LEU HD22 H 1 0.954 0.0196 . 2 . . . . 36 LEU HD2 . 26976 1 43 . 1 1 41 41 LEU HD23 H 1 0.954 0.0196 . 2 . . . . 36 LEU HD2 . 26976 1 44 . 1 1 41 41 LEU CD2 C 13 25.41 0.133 . 2 . . . . 36 LEU CD2 . 26976 1 45 . 1 1 42 42 LEU HD21 H 1 0.939 0.0196 . 2 . . . . 37 LEU HD2 . 26976 1 46 . 1 1 42 42 LEU HD22 H 1 0.939 0.0196 . 2 . . . . 37 LEU HD2 . 26976 1 47 . 1 1 42 42 LEU HD23 H 1 0.939 0.0196 . 2 . . . . 37 LEU HD2 . 26976 1 48 . 1 1 42 42 LEU CD2 C 13 26.445 0.133 . 2 . . . . 37 LEU CD2 . 26976 1 49 . 1 1 43 43 LEU HD21 H 1 0.836 0.0196 . 2 . . . . 38 LEU HD2 . 26976 1 50 . 1 1 43 43 LEU HD22 H 1 0.836 0.0196 . 2 . . . . 38 LEU HD2 . 26976 1 51 . 1 1 43 43 LEU HD23 H 1 0.836 0.0196 . 2 . . . . 38 LEU HD2 . 26976 1 52 . 1 1 43 43 LEU CD2 C 13 25.141 0.133 . 2 . . . . 38 LEU CD2 . 26976 1 53 . 1 1 44 44 LEU HD21 H 1 1.412 0.0196 . 2 . . . . 39 LEU HD2 . 26976 1 54 . 1 1 44 44 LEU HD22 H 1 1.412 0.0196 . 2 . . . . 39 LEU HD2 . 26976 1 55 . 1 1 44 44 LEU HD23 H 1 1.412 0.0196 . 2 . . . . 39 LEU HD2 . 26976 1 56 . 1 1 44 44 LEU CD2 C 13 23.674 0.133 . 2 . . . . 39 LEU CD2 . 26976 1 57 . 1 1 46 46 ALA HB1 H 1 1.405 0.0196 . 1 . . . . 41 ALA HB . 26976 1 58 . 1 1 46 46 ALA HB2 H 1 1.405 0.0196 . 1 . . . . 41 ALA HB . 26976 1 59 . 1 1 46 46 ALA HB3 H 1 1.405 0.0196 . 1 . . . . 41 ALA HB . 26976 1 60 . 1 1 46 46 ALA CB C 13 19.355 0.133 . 1 . . . . 41 ALA CB . 26976 1 61 . 1 1 54 54 ILE HD11 H 1 0.889 0.0196 . 1 . . . . 49 ILE HD1 . 26976 1 62 . 1 1 54 54 ILE HD12 H 1 0.889 0.0196 . 1 . . . . 49 ILE HD1 . 26976 1 63 . 1 1 54 54 ILE HD13 H 1 0.889 0.0196 . 1 . . . . 49 ILE HD1 . 26976 1 64 . 1 1 54 54 ILE CD1 C 13 11.968 0.133 . 1 . . . . 49 ILE CD1 . 26976 1 65 . 1 1 55 55 VAL HG21 H 1 0.881 0.0196 . 2 . . . . 50 VAL HG2 . 26976 1 66 . 1 1 55 55 VAL HG22 H 1 0.881 0.0196 . 2 . . . . 50 VAL HG2 . 26976 1 67 . 1 1 55 55 VAL HG23 H 1 0.881 0.0196 . 2 . . . . 50 VAL HG2 . 26976 1 68 . 1 1 55 55 VAL CG2 C 13 22.879 0.133 . 2 . . . . 50 VAL CG2 . 26976 1 69 . 1 1 60 60 ILE HD11 H 1 0.79 0.0196 . 1 . . . . 55 ILE HD1 . 26976 1 70 . 1 1 60 60 ILE HD12 H 1 0.79 0.0196 . 1 . . . . 55 ILE HD1 . 26976 1 71 . 1 1 60 60 ILE HD13 H 1 0.79 0.0196 . 1 . . . . 55 ILE HD1 . 26976 1 72 . 1 1 60 60 ILE CD1 C 13 13.529 0.133 . 1 . . . . 55 ILE CD1 . 26976 1 73 . 1 1 61 61 ILE HD11 H 1 0.359 0.0196 . 1 . . . . 56 ILE HD1 . 26976 1 74 . 1 1 61 61 ILE HD12 H 1 0.359 0.0196 . 1 . . . . 56 ILE HD1 . 26976 1 75 . 1 1 61 61 ILE HD13 H 1 0.359 0.0196 . 1 . . . . 56 ILE HD1 . 26976 1 76 . 1 1 61 61 ILE CD1 C 13 13.683 0.133 . 1 . . . . 56 ILE CD1 . 26976 1 77 . 1 1 76 76 VAL HG21 H 1 1.036 0.0196 . 2 . . . . 71 VAL HG2 . 26976 1 78 . 1 1 76 76 VAL HG22 H 1 1.036 0.0196 . 2 . . . . 71 VAL HG2 . 26976 1 79 . 1 1 76 76 VAL HG23 H 1 1.036 0.0196 . 2 . . . . 71 VAL HG2 . 26976 1 80 . 1 1 76 76 VAL CG2 C 13 20.99 0.133 . 2 . . . . 71 VAL CG2 . 26976 1 81 . 1 1 77 77 VAL HG21 H 1 0.946 0.0196 . 2 . . . . 72 VAL HG2 . 26976 1 82 . 1 1 77 77 VAL HG22 H 1 0.946 0.0196 . 2 . . . . 72 VAL HG2 . 26976 1 83 . 1 1 77 77 VAL HG23 H 1 0.946 0.0196 . 2 . . . . 72 VAL HG2 . 26976 1 84 . 1 1 77 77 VAL CG2 C 13 22.354 0.133 . 2 . . . . 72 VAL CG2 . 26976 1 85 . 1 1 78 78 VAL HG21 H 1 0.968 0.0196 . 2 . . . . 73 VAL HG2 . 26976 1 86 . 1 1 78 78 VAL HG22 H 1 0.968 0.0196 . 2 . . . . 73 VAL HG2 . 26976 1 87 . 1 1 78 78 VAL HG23 H 1 0.968 0.0196 . 2 . . . . 73 VAL HG2 . 26976 1 88 . 1 1 78 78 VAL CG2 C 13 21.191 0.133 . 2 . . . . 73 VAL CG2 . 26976 1 89 . 1 1 83 83 ILE HD11 H 1 0.716 0.0196 . 1 . . . . 78 ILE HD1 . 26976 1 90 . 1 1 83 83 ILE HD12 H 1 0.716 0.0196 . 1 . . . . 78 ILE HD1 . 26976 1 91 . 1 1 83 83 ILE HD13 H 1 0.716 0.0196 . 1 . . . . 78 ILE HD1 . 26976 1 92 . 1 1 83 83 ILE CD1 C 13 14.09 0.133 . 1 . . . . 78 ILE CD1 . 26976 1 93 . 1 1 86 86 ILE HD11 H 1 1.176 0.0196 . 1 . . . . 81 ILE HD1 . 26976 1 94 . 1 1 86 86 ILE HD12 H 1 1.176 0.0196 . 1 . . . . 81 ILE HD1 . 26976 1 95 . 1 1 86 86 ILE HD13 H 1 1.176 0.0196 . 1 . . . . 81 ILE HD1 . 26976 1 96 . 1 1 86 86 ILE CD1 C 13 14.357 0.133 . 1 . . . . 81 ILE CD1 . 26976 1 97 . 1 1 87 87 ILE HD11 H 1 0.443 0.0196 . 1 . . . . 82 ILE HD1 . 26976 1 98 . 1 1 87 87 ILE HD12 H 1 0.443 0.0196 . 1 . . . . 82 ILE HD1 . 26976 1 99 . 1 1 87 87 ILE HD13 H 1 0.443 0.0196 . 1 . . . . 82 ILE HD1 . 26976 1 100 . 1 1 87 87 ILE CD1 C 13 14.264 0.133 . 1 . . . . 82 ILE CD1 . 26976 1 101 . 1 1 88 88 ALA HB1 H 1 1.68 0.0196 . 1 . . . . 83 ALA HB . 26976 1 102 . 1 1 88 88 ALA HB2 H 1 1.68 0.0196 . 1 . . . . 83 ALA HB . 26976 1 103 . 1 1 88 88 ALA HB3 H 1 1.68 0.0196 . 1 . . . . 83 ALA HB . 26976 1 104 . 1 1 88 88 ALA CB C 13 18.26 0.133 . 1 . . . . 83 ALA CB . 26976 1 105 . 1 1 89 89 ILE HD11 H 1 1.19 0.0196 . 1 . . . . 84 ILE HD1 . 26976 1 106 . 1 1 89 89 ILE HD12 H 1 1.19 0.0196 . 1 . . . . 84 ILE HD1 . 26976 1 107 . 1 1 89 89 ILE HD13 H 1 1.19 0.0196 . 1 . . . . 84 ILE HD1 . 26976 1 108 . 1 1 89 89 ILE CD1 C 13 14.911 0.133 . 1 . . . . 84 ILE CD1 . 26976 1 109 . 1 1 90 90 ILE HD11 H 1 1.131 0.0196 . 1 . . . . 85 ILE HD1 . 26976 1 110 . 1 1 90 90 ILE HD12 H 1 1.131 0.0196 . 1 . . . . 85 ILE HD1 . 26976 1 111 . 1 1 90 90 ILE HD13 H 1 1.131 0.0196 . 1 . . . . 85 ILE HD1 . 26976 1 112 . 1 1 90 90 ILE CD1 C 13 12.699 0.133 . 1 . . . . 85 ILE CD1 . 26976 1 113 . 1 1 92 92 ALA HB1 H 1 0.314 0.0196 . 1 . . . . 87 ALA HB . 26976 1 114 . 1 1 92 92 ALA HB2 H 1 0.314 0.0196 . 1 . . . . 87 ALA HB . 26976 1 115 . 1 1 92 92 ALA HB3 H 1 0.314 0.0196 . 1 . . . . 87 ALA HB . 26976 1 116 . 1 1 92 92 ALA CB C 13 15.608 0.133 . 1 . . . . 87 ALA CB . 26976 1 117 . 1 1 96 96 LEU HD21 H 1 0.846 0.0196 . 2 . . . . 91 LEU HD2 . 26976 1 118 . 1 1 96 96 LEU HD22 H 1 0.846 0.0196 . 2 . . . . 91 LEU HD2 . 26976 1 119 . 1 1 96 96 LEU HD23 H 1 0.846 0.0196 . 2 . . . . 91 LEU HD2 . 26976 1 120 . 1 1 96 96 LEU CD2 C 13 22.424 0.133 . 2 . . . . 91 LEU CD2 . 26976 1 121 . 1 1 98 98 ILE HD11 H 1 0.668 0.0196 . 1 . . . . 93 ILE HD1 . 26976 1 122 . 1 1 98 98 ILE HD12 H 1 0.668 0.0196 . 1 . . . . 93 ILE HD1 . 26976 1 123 . 1 1 98 98 ILE HD13 H 1 0.668 0.0196 . 1 . . . . 93 ILE HD1 . 26976 1 124 . 1 1 98 98 ILE CD1 C 13 14.327 0.133 . 1 . . . . 93 ILE CD1 . 26976 1 125 . 1 1 103 103 ALA HB1 H 1 1.488 0.0196 . 1 . . . . 98 ALA HB . 26976 1 126 . 1 1 103 103 ALA HB2 H 1 1.488 0.0196 . 1 . . . . 98 ALA HB . 26976 1 127 . 1 1 103 103 ALA HB3 H 1 1.488 0.0196 . 1 . . . . 98 ALA HB . 26976 1 128 . 1 1 103 103 ALA CB C 13 18.01 0.133 . 1 . . . . 98 ALA CB . 26976 1 129 . 1 1 106 106 ALA HB1 H 1 1.425 0.0196 . 1 . . . . 101 ALA HB . 26976 1 130 . 1 1 106 106 ALA HB2 H 1 1.425 0.0196 . 1 . . . . 101 ALA HB . 26976 1 131 . 1 1 106 106 ALA HB3 H 1 1.425 0.0196 . 1 . . . . 101 ALA HB . 26976 1 132 . 1 1 106 106 ALA CB C 13 17.376 0.133 . 1 . . . . 101 ALA CB . 26976 1 133 . 1 1 109 109 ALA HB1 H 1 1.62 0.0196 . 1 . . . . 104 ALA HB . 26976 1 134 . 1 1 109 109 ALA HB2 H 1 1.62 0.0196 . 1 . . . . 104 ALA HB . 26976 1 135 . 1 1 109 109 ALA HB3 H 1 1.62 0.0196 . 1 . . . . 104 ALA HB . 26976 1 136 . 1 1 109 109 ALA CB C 13 19.179 0.133 . 1 . . . . 104 ALA CB . 26976 1 137 . 1 1 112 112 LEU HD21 H 1 0.532 0.0196 . 2 . . . . 107 LEU HD2 . 26976 1 138 . 1 1 112 112 LEU HD22 H 1 0.532 0.0196 . 2 . . . . 107 LEU HD2 . 26976 1 139 . 1 1 112 112 LEU HD23 H 1 0.532 0.0196 . 2 . . . . 107 LEU HD2 . 26976 1 140 . 1 1 112 112 LEU CD2 C 13 26.821 0.133 . 2 . . . . 107 LEU CD2 . 26976 1 141 . 1 1 114 114 VAL HG21 H 1 1.098 0.0196 . 2 . . . . 109 VAL HG2 . 26976 1 142 . 1 1 114 114 VAL HG22 H 1 1.098 0.0196 . 2 . . . . 109 VAL HG2 . 26976 1 143 . 1 1 114 114 VAL HG23 H 1 1.098 0.0196 . 2 . . . . 109 VAL HG2 . 26976 1 144 . 1 1 114 114 VAL CG2 C 13 21.694 0.133 . 2 . . . . 109 VAL CG2 . 26976 1 145 . 1 1 115 115 LEU HD21 H 1 0.819 0.0196 . 2 . . . . 110 LEU HD2 . 26976 1 146 . 1 1 115 115 LEU HD22 H 1 0.819 0.0196 . 2 . . . . 110 LEU HD2 . 26976 1 147 . 1 1 115 115 LEU HD23 H 1 0.819 0.0196 . 2 . . . . 110 LEU HD2 . 26976 1 148 . 1 1 115 115 LEU CD2 C 13 21.291 0.133 . 2 . . . . 110 LEU CD2 . 26976 1 149 . 1 1 119 119 ALA HB1 H 1 1.367 0.0196 . 1 . . . . 114 ALA HB . 26976 1 150 . 1 1 119 119 ALA HB2 H 1 1.367 0.0196 . 1 . . . . 114 ALA HB . 26976 1 151 . 1 1 119 119 ALA HB3 H 1 1.367 0.0196 . 1 . . . . 114 ALA HB . 26976 1 152 . 1 1 119 119 ALA CB C 13 18.617 0.133 . 1 . . . . 114 ALA CB . 26976 1 153 . 1 1 123 123 VAL HG21 H 1 0.861 0.0196 . 2 . . . . 118 VAL HG2 . 26976 1 154 . 1 1 123 123 VAL HG22 H 1 0.861 0.0196 . 2 . . . . 118 VAL HG2 . 26976 1 155 . 1 1 123 123 VAL HG23 H 1 0.861 0.0196 . 2 . . . . 118 VAL HG2 . 26976 1 156 . 1 1 123 123 VAL CG2 C 13 20.675 0.133 . 2 . . . . 118 VAL CG2 . 26976 1 157 . 1 1 128 128 LEU HD21 H 1 0.861 0.0196 . 2 . . . . 123 LEU HD2 . 26976 1 158 . 1 1 128 128 LEU HD22 H 1 0.861 0.0196 . 2 . . . . 123 LEU HD2 . 26976 1 159 . 1 1 128 128 LEU HD23 H 1 0.861 0.0196 . 2 . . . . 123 LEU HD2 . 26976 1 160 . 1 1 128 128 LEU CD2 C 13 26.575 0.133 . 2 . . . . 123 LEU CD2 . 26976 1 161 . 1 1 129 129 ALA HB1 H 1 1.241 0.0196 . 1 . . . . 124 ALA HB . 26976 1 162 . 1 1 129 129 ALA HB2 H 1 1.241 0.0196 . 1 . . . . 124 ALA HB . 26976 1 163 . 1 1 129 129 ALA HB3 H 1 1.241 0.0196 . 1 . . . . 124 ALA HB . 26976 1 164 . 1 1 129 129 ALA CB C 13 17.701 0.133 . 1 . . . . 124 ALA CB . 26976 1 165 . 1 1 131 131 VAL HG21 H 1 0.99 0.0196 . 2 . . . . 126 VAL HG2 . 26976 1 166 . 1 1 131 131 VAL HG22 H 1 0.99 0.0196 . 2 . . . . 126 VAL HG2 . 26976 1 167 . 1 1 131 131 VAL HG23 H 1 0.99 0.0196 . 2 . . . . 126 VAL HG2 . 26976 1 168 . 1 1 131 131 VAL CG2 C 13 23.251 0.133 . 2 . . . . 126 VAL CG2 . 26976 1 169 . 1 1 132 132 ILE HD11 H 1 0.548 0.0196 . 1 . . . . 127 ILE HD1 . 26976 1 170 . 1 1 132 132 ILE HD12 H 1 0.548 0.0196 . 1 . . . . 127 ILE HD1 . 26976 1 171 . 1 1 132 132 ILE HD13 H 1 0.548 0.0196 . 1 . . . . 127 ILE HD1 . 26976 1 172 . 1 1 132 132 ILE CD1 C 13 13.366 0.133 . 1 . . . . 127 ILE CD1 . 26976 1 173 . 1 1 135 135 LEU HD21 H 1 1.02 0.0196 . 2 . . . . 130 LEU HD2 . 26976 1 174 . 1 1 135 135 LEU HD22 H 1 1.02 0.0196 . 2 . . . . 130 LEU HD2 . 26976 1 175 . 1 1 135 135 LEU HD23 H 1 1.02 0.0196 . 2 . . . . 130 LEU HD2 . 26976 1 176 . 1 1 135 135 LEU CD2 C 13 23.766 0.133 . 2 . . . . 130 LEU CD2 . 26976 1 177 . 1 1 141 141 VAL HG21 H 1 1.407 0.0196 . 2 . . . . 136 VAL HG2 . 26976 1 178 . 1 1 141 141 VAL HG22 H 1 1.407 0.0196 . 2 . . . . 136 VAL HG2 . 26976 1 179 . 1 1 141 141 VAL HG23 H 1 1.407 0.0196 . 2 . . . . 136 VAL HG2 . 26976 1 180 . 1 1 141 141 VAL CG2 C 13 22.842 0.133 . 2 . . . . 136 VAL CG2 . 26976 1 181 . 1 1 143 143 ALA HB1 H 1 1.587 0.0196 . 1 . . . . 138 ALA HB . 26976 1 182 . 1 1 143 143 ALA HB2 H 1 1.587 0.0196 . 1 . . . . 138 ALA HB . 26976 1 183 . 1 1 143 143 ALA HB3 H 1 1.587 0.0196 . 1 . . . . 138 ALA HB . 26976 1 184 . 1 1 143 143 ALA CB C 13 17.169 0.133 . 1 . . . . 138 ALA CB . 26976 1 185 . 1 1 153 153 LEU HD21 H 1 1.308 0.0196 . 2 . . . . 148 LEU HD2 . 26976 1 186 . 1 1 153 153 LEU HD22 H 1 1.308 0.0196 . 2 . . . . 148 LEU HD2 . 26976 1 187 . 1 1 153 153 LEU HD23 H 1 1.308 0.0196 . 2 . . . . 148 LEU HD2 . 26976 1 188 . 1 1 153 153 LEU CD2 C 13 26.939 0.133 . 2 . . . . 148 LEU CD2 . 26976 1 189 . 1 1 157 157 ALA HB1 H 1 1.574 0.0196 . 1 . . . . 152 ALA HB . 26976 1 190 . 1 1 157 157 ALA HB2 H 1 1.574 0.0196 . 1 . . . . 152 ALA HB . 26976 1 191 . 1 1 157 157 ALA HB3 H 1 1.574 0.0196 . 1 . . . . 152 ALA HB . 26976 1 192 . 1 1 157 157 ALA CB C 13 19.028 0.133 . 1 . . . . 152 ALA CB . 26976 1 193 . 1 1 161 161 LEU HD21 H 1 0.369 0.0196 . 2 . . . . 156 LEU HD2 . 26976 1 194 . 1 1 161 161 LEU HD22 H 1 0.369 0.0196 . 2 . . . . 156 LEU HD2 . 26976 1 195 . 1 1 161 161 LEU HD23 H 1 0.369 0.0196 . 2 . . . . 156 LEU HD2 . 26976 1 196 . 1 1 161 161 LEU CD2 C 13 23.791 0.133 . 2 . . . . 156 LEU CD2 . 26976 1 197 . 1 1 164 164 LEU HD21 H 1 0.762 0.0196 . 2 . . . . 159 LEU HD2 . 26976 1 198 . 1 1 164 164 LEU HD22 H 1 0.762 0.0196 . 2 . . . . 159 LEU HD2 . 26976 1 199 . 1 1 164 164 LEU HD23 H 1 0.762 0.0196 . 2 . . . . 159 LEU HD2 . 26976 1 200 . 1 1 164 164 LEU CD2 C 13 24.728 0.133 . 2 . . . . 159 LEU CD2 . 26976 1 201 . 1 1 173 173 ILE HD11 H 1 0.802 0.0196 . 1 . . . . 168 ILE HD1 . 26976 1 202 . 1 1 173 173 ILE HD12 H 1 0.802 0.0196 . 1 . . . . 168 ILE HD1 . 26976 1 203 . 1 1 173 173 ILE HD13 H 1 0.802 0.0196 . 1 . . . . 168 ILE HD1 . 26976 1 204 . 1 1 173 173 ILE CD1 C 13 13.136 0.133 . 1 . . . . 168 ILE CD1 . 26976 1 205 . 1 1 179 179 VAL HG21 H 1 0.475 0.0196 . 2 . . . . 174 VAL HG2 . 26976 1 206 . 1 1 179 179 VAL HG22 H 1 0.475 0.0196 . 2 . . . . 174 VAL HG2 . 26976 1 207 . 1 1 179 179 VAL HG23 H 1 0.475 0.0196 . 2 . . . . 174 VAL HG2 . 26976 1 208 . 1 1 179 179 VAL CG2 C 13 23.105 0.133 . 2 . . . . 174 VAL CG2 . 26976 1 209 . 1 1 180 180 LEU HD21 H 1 0.646 0.0196 . 2 . . . . 175 LEU HD2 . 26976 1 210 . 1 1 180 180 LEU HD22 H 1 0.646 0.0196 . 2 . . . . 175 LEU HD2 . 26976 1 211 . 1 1 180 180 LEU HD23 H 1 0.646 0.0196 . 2 . . . . 175 LEU HD2 . 26976 1 212 . 1 1 180 180 LEU CD2 C 13 24.699 0.133 . 2 . . . . 175 LEU CD2 . 26976 1 213 . 1 1 184 184 VAL HG21 H 1 0.94 0.0196 . 2 . . . . 179 VAL HG2 . 26976 1 214 . 1 1 184 184 VAL HG22 H 1 0.94 0.0196 . 2 . . . . 179 VAL HG2 . 26976 1 215 . 1 1 184 184 VAL HG23 H 1 0.94 0.0196 . 2 . . . . 179 VAL HG2 . 26976 1 216 . 1 1 184 184 VAL CG2 C 13 19.153 0.133 . 2 . . . . 179 VAL CG2 . 26976 1 217 . 1 1 190 190 VAL HG21 H 1 1.029 0.0196 . 2 . . . . 185 VAL HG2 . 26976 1 218 . 1 1 190 190 VAL HG22 H 1 1.029 0.0196 . 2 . . . . 185 VAL HG2 . 26976 1 219 . 1 1 190 190 VAL HG23 H 1 1.029 0.0196 . 2 . . . . 185 VAL HG2 . 26976 1 220 . 1 1 190 190 VAL CG2 C 13 21.715 0.133 . 2 . . . . 185 VAL CG2 . 26976 1 221 . 1 1 199 199 LEU HD21 H 1 0.665 0.0196 . 2 . . . . 194 LEU HD2 . 26976 1 222 . 1 1 199 199 LEU HD22 H 1 0.665 0.0196 . 2 . . . . 194 LEU HD2 . 26976 1 223 . 1 1 199 199 LEU HD23 H 1 0.665 0.0196 . 2 . . . . 194 LEU HD2 . 26976 1 224 . 1 1 199 199 LEU CD2 C 13 23.341 0.133 . 2 . . . . 194 LEU CD2 . 26976 1 225 . 1 1 206 206 VAL HG21 H 1 0.554 0.0196 . 2 . . . . 201 VAL HG2 . 26976 1 226 . 1 1 206 206 VAL HG22 H 1 0.554 0.0196 . 2 . . . . 201 VAL HG2 . 26976 1 227 . 1 1 206 206 VAL HG23 H 1 0.554 0.0196 . 2 . . . . 201 VAL HG2 . 26976 1 228 . 1 1 206 206 VAL CG2 C 13 22.538 0.133 . 2 . . . . 201 VAL CG2 . 26976 1 229 . 1 1 223 223 VAL HG21 H 1 1.099 0.0196 . 2 . . . . 218 VAL HG2 . 26976 1 230 . 1 1 223 223 VAL HG22 H 1 1.099 0.0196 . 2 . . . . 218 VAL HG2 . 26976 1 231 . 1 1 223 223 VAL HG23 H 1 1.099 0.0196 . 2 . . . . 218 VAL HG2 . 26976 1 232 . 1 1 223 223 VAL CG2 C 13 24.797 0.133 . 2 . . . . 218 VAL CG2 . 26976 1 233 . 1 1 225 225 ALA HB1 H 1 1.136 0.0196 . 1 . . . . 220 ALA HB . 26976 1 234 . 1 1 225 225 ALA HB2 H 1 1.136 0.0196 . 1 . . . . 220 ALA HB . 26976 1 235 . 1 1 225 225 ALA HB3 H 1 1.136 0.0196 . 1 . . . . 220 ALA HB . 26976 1 236 . 1 1 225 225 ALA CB C 13 21.703 0.133 . 1 . . . . 220 ALA CB . 26976 1 237 . 1 1 226 226 ILE HD11 H 1 -0.036 0.0196 . 1 . . . . 221 ILE HD1 . 26976 1 238 . 1 1 226 226 ILE HD12 H 1 -0.036 0.0196 . 1 . . . . 221 ILE HD1 . 26976 1 239 . 1 1 226 226 ILE HD13 H 1 -0.036 0.0196 . 1 . . . . 221 ILE HD1 . 26976 1 240 . 1 1 226 226 ILE CD1 C 13 12.254 0.133 . 1 . . . . 221 ILE CD1 . 26976 1 241 . 1 1 227 227 ILE HD11 H 1 0.604 0.0196 . 1 . . . . 222 ILE HD1 . 26976 1 242 . 1 1 227 227 ILE HD12 H 1 0.604 0.0196 . 1 . . . . 222 ILE HD1 . 26976 1 243 . 1 1 227 227 ILE HD13 H 1 0.604 0.0196 . 1 . . . . 222 ILE HD1 . 26976 1 244 . 1 1 227 227 ILE CD1 C 13 13.561 0.133 . 1 . . . . 222 ILE CD1 . 26976 1 245 . 1 1 230 230 VAL HG21 H 1 0.515 0.0196 . 2 . . . . 225 VAL HG2 . 26976 1 246 . 1 1 230 230 VAL HG22 H 1 0.515 0.0196 . 2 . . . . 225 VAL HG2 . 26976 1 247 . 1 1 230 230 VAL HG23 H 1 0.515 0.0196 . 2 . . . . 225 VAL HG2 . 26976 1 248 . 1 1 230 230 VAL CG2 C 13 22.032 0.133 . 2 . . . . 225 VAL CG2 . 26976 1 249 . 1 1 231 231 ALA HB1 H 1 1.253 0.0196 . 1 . . . . 226 ALA HB . 26976 1 250 . 1 1 231 231 ALA HB2 H 1 1.253 0.0196 . 1 . . . . 226 ALA HB . 26976 1 251 . 1 1 231 231 ALA HB3 H 1 1.253 0.0196 . 1 . . . . 226 ALA HB . 26976 1 252 . 1 1 231 231 ALA CB C 13 18.596 0.133 . 1 . . . . 226 ALA CB . 26976 1 253 . 1 1 232 232 LEU HD21 H 1 0.452 0.0196 . 2 . . . . 227 LEU HD2 . 26976 1 254 . 1 1 232 232 LEU HD22 H 1 0.452 0.0196 . 2 . . . . 227 LEU HD2 . 26976 1 255 . 1 1 232 232 LEU HD23 H 1 0.452 0.0196 . 2 . . . . 227 LEU HD2 . 26976 1 256 . 1 1 232 232 LEU CD2 C 13 23.931 0.133 . 2 . . . . 227 LEU CD2 . 26976 1 257 . 1 1 237 237 LEU HD21 H 1 0.892 0.0196 . 2 . . . . 232 LEU HD2 . 26976 1 258 . 1 1 237 237 LEU HD22 H 1 0.892 0.0196 . 2 . . . . 232 LEU HD2 . 26976 1 259 . 1 1 237 237 LEU HD23 H 1 0.892 0.0196 . 2 . . . . 232 LEU HD2 . 26976 1 260 . 1 1 237 237 LEU CD2 C 13 22.506 0.133 . 2 . . . . 232 LEU CD2 . 26976 1 261 . 1 1 238 238 VAL HG21 H 1 0.924 0.0196 . 2 . . . . 233 VAL HG2 . 26976 1 262 . 1 1 238 238 VAL HG22 H 1 0.924 0.0196 . 2 . . . . 233 VAL HG2 . 26976 1 263 . 1 1 238 238 VAL HG23 H 1 0.924 0.0196 . 2 . . . . 233 VAL HG2 . 26976 1 264 . 1 1 238 238 VAL CG2 C 13 20.675 0.133 . 2 . . . . 233 VAL CG2 . 26976 1 265 . 1 1 239 239 LEU HD21 H 1 0.703 0.0196 . 2 . . . . 234 LEU HD2 . 26976 1 266 . 1 1 239 239 LEU HD22 H 1 0.703 0.0196 . 2 . . . . 234 LEU HD2 . 26976 1 267 . 1 1 239 239 LEU HD23 H 1 0.703 0.0196 . 2 . . . . 234 LEU HD2 . 26976 1 268 . 1 1 239 239 LEU CD2 C 13 24.063 0.133 . 2 . . . . 234 LEU CD2 . 26976 1 269 . 1 1 240 240 ALA HB1 H 1 1.387 0.0196 . 1 . . . . 235 ALA HB . 26976 1 270 . 1 1 240 240 ALA HB2 H 1 1.387 0.0196 . 1 . . . . 235 ALA HB . 26976 1 271 . 1 1 240 240 ALA HB3 H 1 1.387 0.0196 . 1 . . . . 235 ALA HB . 26976 1 272 . 1 1 240 240 ALA CB C 13 18.569 0.133 . 1 . . . . 235 ALA CB . 26976 1 273 . 1 1 254 254 LEU HD21 H 1 1.149 0.0196 . 2 . . . . 249 LEU HD2 . 26976 1 274 . 1 1 254 254 LEU HD22 H 1 1.149 0.0196 . 2 . . . . 249 LEU HD2 . 26976 1 275 . 1 1 254 254 LEU HD23 H 1 1.149 0.0196 . 2 . . . . 249 LEU HD2 . 26976 1 276 . 1 1 254 254 LEU CD2 C 13 25.369 0.133 . 2 . . . . 249 LEU CD2 . 26976 1 277 . 1 1 269 269 ILE HD11 H 1 0.585 0.0196 . 1 . . . . 264 ILE HD1 . 26976 1 278 . 1 1 269 269 ILE HD12 H 1 0.585 0.0196 . 1 . . . . 264 ILE HD1 . 26976 1 279 . 1 1 269 269 ILE HD13 H 1 0.585 0.0196 . 1 . . . . 264 ILE HD1 . 26976 1 280 . 1 1 269 269 ILE CD1 C 13 11.354 0.133 . 1 . . . . 264 ILE CD1 . 26976 1 281 . 1 1 270 270 ILE HD11 H 1 0.725 0.0196 . 1 . . . . 265 ILE HD1 . 26976 1 282 . 1 1 270 270 ILE HD12 H 1 0.725 0.0196 . 1 . . . . 265 ILE HD1 . 26976 1 283 . 1 1 270 270 ILE HD13 H 1 0.725 0.0196 . 1 . . . . 265 ILE HD1 . 26976 1 284 . 1 1 270 270 ILE CD1 C 13 13.887 0.133 . 1 . . . . 265 ILE CD1 . 26976 1 285 . 1 1 271 271 LEU HD21 H 1 0.308 0.0196 . 2 . . . . 266 LEU HD2 . 26976 1 286 . 1 1 271 271 LEU HD22 H 1 0.308 0.0196 . 2 . . . . 266 LEU HD2 . 26976 1 287 . 1 1 271 271 LEU HD23 H 1 0.308 0.0196 . 2 . . . . 266 LEU HD2 . 26976 1 288 . 1 1 271 271 LEU CD2 C 13 25.219 0.133 . 2 . . . . 266 LEU CD2 . 26976 1 289 . 1 1 273 273 LEU HD21 H 1 0.073 0.0196 . 2 . . . . 268 LEU HD2 . 26976 1 290 . 1 1 273 273 LEU HD22 H 1 0.073 0.0196 . 2 . . . . 268 LEU HD2 . 26976 1 291 . 1 1 273 273 LEU HD23 H 1 0.073 0.0196 . 2 . . . . 268 LEU HD2 . 26976 1 292 . 1 1 273 273 LEU CD2 C 13 22.088 0.133 . 2 . . . . 268 LEU CD2 . 26976 1 293 . 1 1 278 278 LEU HD21 H 1 0.89 0.0196 . 2 . . . . 273 LEU HD2 . 26976 1 294 . 1 1 278 278 LEU HD22 H 1 0.89 0.0196 . 2 . . . . 273 LEU HD2 . 26976 1 295 . 1 1 278 278 LEU HD23 H 1 0.89 0.0196 . 2 . . . . 273 LEU HD2 . 26976 1 296 . 1 1 278 278 LEU CD2 C 13 21.343 0.133 . 2 . . . . 273 LEU CD2 . 26976 1 297 . 1 1 283 283 ILE HD11 H 1 0.598 0.0196 . 1 . . . . 278 ILE HD1 . 26976 1 298 . 1 1 283 283 ILE HD12 H 1 0.598 0.0196 . 1 . . . . 278 ILE HD1 . 26976 1 299 . 1 1 283 283 ILE HD13 H 1 0.598 0.0196 . 1 . . . . 278 ILE HD1 . 26976 1 300 . 1 1 283 283 ILE CD1 C 13 13.722 0.133 . 1 . . . . 278 ILE CD1 . 26976 1 301 . 1 1 288 288 LEU HD21 H 1 0.025 0.0196 . 2 . . . . 283 LEU HD2 . 26976 1 302 . 1 1 288 288 LEU HD22 H 1 0.025 0.0196 . 2 . . . . 283 LEU HD2 . 26976 1 303 . 1 1 288 288 LEU HD23 H 1 0.025 0.0196 . 2 . . . . 283 LEU HD2 . 26976 1 304 . 1 1 288 288 LEU CD2 C 13 24.061 0.133 . 2 . . . . 283 LEU CD2 . 26976 1 305 . 1 1 290 290 ILE HD11 H 1 0.971 0.0196 . 1 . . . . 285 ILE HD1 . 26976 1 306 . 1 1 290 290 ILE HD12 H 1 0.971 0.0196 . 1 . . . . 285 ILE HD1 . 26976 1 307 . 1 1 290 290 ILE HD13 H 1 0.971 0.0196 . 1 . . . . 285 ILE HD1 . 26976 1 308 . 1 1 290 290 ILE CD1 C 13 13.825 0.133 . 1 . . . . 285 ILE CD1 . 26976 1 309 . 1 1 304 304 ALA HB1 H 1 1.522 0.0196 . 1 . . . . 299 ALA HB . 26976 1 310 . 1 1 304 304 ALA HB2 H 1 1.522 0.0196 . 1 . . . . 299 ALA HB . 26976 1 311 . 1 1 304 304 ALA HB3 H 1 1.522 0.0196 . 1 . . . . 299 ALA HB . 26976 1 312 . 1 1 304 304 ALA CB C 13 19.668 0.133 . 1 . . . . 299 ALA CB . 26976 1 313 . 1 1 305 305 ALA HB1 H 1 0.788 0.0196 . 1 . . . . 300 ALA HB . 26976 1 314 . 1 1 305 305 ALA HB2 H 1 0.788 0.0196 . 1 . . . . 300 ALA HB . 26976 1 315 . 1 1 305 305 ALA HB3 H 1 0.788 0.0196 . 1 . . . . 300 ALA HB . 26976 1 316 . 1 1 305 305 ALA CB C 13 17.034 0.133 . 1 . . . . 300 ALA CB . 26976 1 317 . 1 1 306 306 ALA HB1 H 1 1.544 0.0196 . 1 . . . . 301 ALA HB . 26976 1 318 . 1 1 306 306 ALA HB2 H 1 1.544 0.0196 . 1 . . . . 301 ALA HB . 26976 1 319 . 1 1 306 306 ALA HB3 H 1 1.544 0.0196 . 1 . . . . 301 ALA HB . 26976 1 320 . 1 1 306 306 ALA CB C 13 17.928 0.133 . 1 . . . . 301 ALA CB . 26976 1 321 . 1 1 308 308 ILE HD11 H 1 0.736 0.0196 . 1 . . . . 303 ILE HD1 . 26976 1 322 . 1 1 308 308 ILE HD12 H 1 0.736 0.0196 . 1 . . . . 303 ILE HD1 . 26976 1 323 . 1 1 308 308 ILE HD13 H 1 0.736 0.0196 . 1 . . . . 303 ILE HD1 . 26976 1 324 . 1 1 308 308 ILE CD1 C 13 14.786 0.133 . 1 . . . . 303 ILE CD1 . 26976 1 325 . 1 1 315 315 LEU HD21 H 1 0.757 0.0196 . 2 . . . . 310 LEU HD2 . 26976 1 326 . 1 1 315 315 LEU HD22 H 1 0.757 0.0196 . 2 . . . . 310 LEU HD2 . 26976 1 327 . 1 1 315 315 LEU HD23 H 1 0.757 0.0196 . 2 . . . . 310 LEU HD2 . 26976 1 328 . 1 1 315 315 LEU CD2 C 13 21.749 0.133 . 2 . . . . 310 LEU CD2 . 26976 1 329 . 1 1 324 324 ILE HD11 H 1 0.91 0.0196 . 1 . . . . 319 ILE HD1 . 26976 1 330 . 1 1 324 324 ILE HD12 H 1 0.91 0.0196 . 1 . . . . 319 ILE HD1 . 26976 1 331 . 1 1 324 324 ILE HD13 H 1 0.91 0.0196 . 1 . . . . 319 ILE HD1 . 26976 1 332 . 1 1 324 324 ILE CD1 C 13 12.65 0.133 . 1 . . . . 319 ILE CD1 . 26976 1 333 . 1 1 331 331 ALA HB1 H 1 1.733 0.0196 . 1 . . . . 326 ALA HB . 26976 1 334 . 1 1 331 331 ALA HB2 H 1 1.733 0.0196 . 1 . . . . 326 ALA HB . 26976 1 335 . 1 1 331 331 ALA HB3 H 1 1.733 0.0196 . 1 . . . . 326 ALA HB . 26976 1 336 . 1 1 331 331 ALA CB C 13 17.742 0.133 . 1 . . . . 326 ALA CB . 26976 1 337 . 1 1 337 337 VAL HG21 H 1 0.988 0.0196 . 2 . . . . 332 VAL HG2 . 26976 1 338 . 1 1 337 337 VAL HG22 H 1 0.988 0.0196 . 2 . . . . 332 VAL HG2 . 26976 1 339 . 1 1 337 337 VAL HG23 H 1 0.988 0.0196 . 2 . . . . 332 VAL HG2 . 26976 1 340 . 1 1 337 337 VAL CG2 C 13 24.791 0.133 . 2 . . . . 332 VAL CG2 . 26976 1 341 . 1 1 340 340 VAL HG21 H 1 0.868 0.0196 . 2 . . . . 335 VAL HG2 . 26976 1 342 . 1 1 340 340 VAL HG22 H 1 0.868 0.0196 . 2 . . . . 335 VAL HG2 . 26976 1 343 . 1 1 340 340 VAL HG23 H 1 0.868 0.0196 . 2 . . . . 335 VAL HG2 . 26976 1 344 . 1 1 340 340 VAL CG2 C 13 22.337 0.133 . 2 . . . . 335 VAL CG2 . 26976 1 345 . 1 1 343 343 ALA HB1 H 1 1.431 0.0196 . 1 . . . . 338 ALA HB . 26976 1 346 . 1 1 343 343 ALA HB2 H 1 1.431 0.0196 . 1 . . . . 338 ALA HB . 26976 1 347 . 1 1 343 343 ALA HB3 H 1 1.431 0.0196 . 1 . . . . 338 ALA HB . 26976 1 348 . 1 1 343 343 ALA CB C 13 17.641 0.133 . 1 . . . . 338 ALA CB . 26976 1 349 . 1 1 344 344 VAL HG21 H 1 0.856 0.0196 . 2 . . . . 339 VAL HG2 . 26976 1 350 . 1 1 344 344 VAL HG22 H 1 0.856 0.0196 . 2 . . . . 339 VAL HG2 . 26976 1 351 . 1 1 344 344 VAL HG23 H 1 0.856 0.0196 . 2 . . . . 339 VAL HG2 . 26976 1 352 . 1 1 344 344 VAL CG2 C 13 23.111 0.133 . 2 . . . . 339 VAL CG2 . 26976 1 353 . 1 1 347 347 VAL HG21 H 1 0.646 0.0196 . 2 . . . . 342 VAL HG2 . 26976 1 354 . 1 1 347 347 VAL HG22 H 1 0.646 0.0196 . 2 . . . . 342 VAL HG2 . 26976 1 355 . 1 1 347 347 VAL HG23 H 1 0.646 0.0196 . 2 . . . . 342 VAL HG2 . 26976 1 356 . 1 1 347 347 VAL CG2 C 13 22.331 0.133 . 2 . . . . 342 VAL CG2 . 26976 1 357 . 1 1 348 348 ILE HD11 H 1 0.707 0.0196 . 1 . . . . 343 ILE HD1 . 26976 1 358 . 1 1 348 348 ILE HD12 H 1 0.707 0.0196 . 1 . . . . 343 ILE HD1 . 26976 1 359 . 1 1 348 348 ILE HD13 H 1 0.707 0.0196 . 1 . . . . 343 ILE HD1 . 26976 1 360 . 1 1 348 348 ILE CD1 C 13 14.256 0.133 . 1 . . . . 343 ILE CD1 . 26976 1 361 . 1 1 349 349 ILE HD11 H 1 0.885 0.0196 . 1 . . . . 344 ILE HD1 . 26976 1 362 . 1 1 349 349 ILE HD12 H 1 0.885 0.0196 . 1 . . . . 344 ILE HD1 . 26976 1 363 . 1 1 349 349 ILE HD13 H 1 0.885 0.0196 . 1 . . . . 344 ILE HD1 . 26976 1 364 . 1 1 349 349 ILE CD1 C 13 14.032 0.133 . 1 . . . . 344 ILE CD1 . 26976 1 365 . 1 1 353 353 LEU HD21 H 1 0.822 0.0196 . 2 . . . . 348 LEU HD2 . 26976 1 366 . 1 1 353 353 LEU HD22 H 1 0.822 0.0196 . 2 . . . . 348 LEU HD2 . 26976 1 367 . 1 1 353 353 LEU HD23 H 1 0.822 0.0196 . 2 . . . . 348 LEU HD2 . 26976 1 368 . 1 1 353 353 LEU CD2 C 13 23.082 0.133 . 2 . . . . 348 LEU CD2 . 26976 1 369 . 1 1 358 358 LEU HD21 H 1 0.765 0.0196 . 2 . . . . 353 LEU HD2 . 26976 1 370 . 1 1 358 358 LEU HD22 H 1 0.765 0.0196 . 2 . . . . 353 LEU HD2 . 26976 1 371 . 1 1 358 358 LEU HD23 H 1 0.765 0.0196 . 2 . . . . 353 LEU HD2 . 26976 1 372 . 1 1 358 358 LEU CD2 C 13 23.021 0.133 . 2 . . . . 353 LEU CD2 . 26976 1 stop_ save_