data_26975 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26975 _Entry.Title ; AILV Methyl Resonance Assignments for G protein alpha i3 subunit in the GDP-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 . . . . 26975 2 Hanaho Kano . . . . 26975 3 Yoko Mase . . . . 26975 4 Mariko Yokogawa . . . . 26975 5 Masanori Osawa . . . . 26975 6 Ichio Shimada . . . . 26975 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26975 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 96 26975 '1H chemical shifts' 288 26975 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' 26975 1 . . 2017-02-21 2016-12-17 original author 'original release' 26975 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' 26975 BMRB 19015 'Backbone resonance assignments for G protein alpha i3 subunit in the GDP-bound state' 26975 BMRB 26976 'G alpha i3 bound to GoLoco14' 26975 PDB 2IHB 'Crystal structure of the heterodimeric complex of human RGS10 and activated Gi alpha 3' 26975 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) ; 26975 PDB 4G5R 'Structure of LGN GL4/Galphai3 complex' 26975 PDB 4G5S 'Structure of LGN GL3/Galphai3 complex' 26975 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 26975 _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 . . . . 26975 1 2 Hanaho Kano . . . . 26975 1 3 Yoko Mase . . . . 26975 1 4 Mariko Yokogawa . . . . 26975 1 5 Masanori Osawa . . . . 26975 1 6 Ichio Shimada . . . . 26975 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'G protein alpha subunit' 26975 1 'heterotrimeric guanine-nucleotide binding protein' 26975 1 'signal transduction' 26975 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26975 _Assembly.ID 1 _Assembly.Name 'G alphai 3 bound to GDP' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 41500 _Assembly.Enzyme_commission_number . _Assembly.Details 'Galphai3 bound to GDP' _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 . . . 26975 1 2 GDP 2 $entity_GDP A . no native no no . . . 26975 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 26975 _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' . . . . . . . . . . . . . . 26975 1 2 yes GB AAM12621.1 . 'guanine nucleotide binding protein alpha i3 [Homo sapiens]' . . . . . . . . . . . . . . 26975 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 . 26975 1 2 -3 PRO . 26975 1 3 -2 ASP . 26975 1 4 -1 ASP . 26975 1 5 0 HIS . 26975 1 6 1 MET . 26975 1 7 2 GLY . 26975 1 8 3 CYS . 26975 1 9 4 THR . 26975 1 10 5 LEU . 26975 1 11 6 SER . 26975 1 12 7 ALA . 26975 1 13 8 GLU . 26975 1 14 9 ASP . 26975 1 15 10 LYS . 26975 1 16 11 ALA . 26975 1 17 12 ALA . 26975 1 18 13 VAL . 26975 1 19 14 GLU . 26975 1 20 15 ARG . 26975 1 21 16 SER . 26975 1 22 17 LYS . 26975 1 23 18 MET . 26975 1 24 19 ILE . 26975 1 25 20 ASP . 26975 1 26 21 ARG . 26975 1 27 22 ASN . 26975 1 28 23 LEU . 26975 1 29 24 ARG . 26975 1 30 25 GLU . 26975 1 31 26 ASP . 26975 1 32 27 GLY . 26975 1 33 28 GLU . 26975 1 34 29 LYS . 26975 1 35 30 ALA . 26975 1 36 31 ALA . 26975 1 37 32 LYS . 26975 1 38 33 GLU . 26975 1 39 34 VAL . 26975 1 40 35 LYS . 26975 1 41 36 LEU . 26975 1 42 37 LEU . 26975 1 43 38 LEU . 26975 1 44 39 LEU . 26975 1 45 40 GLY . 26975 1 46 41 ALA . 26975 1 47 42 GLY . 26975 1 48 43 GLU . 26975 1 49 44 SER . 26975 1 50 45 GLY . 26975 1 51 46 LYS . 26975 1 52 47 SER . 26975 1 53 48 THR . 26975 1 54 49 ILE . 26975 1 55 50 VAL . 26975 1 56 51 LYS . 26975 1 57 52 GLN . 26975 1 58 53 MET . 26975 1 59 54 LYS . 26975 1 60 55 ILE . 26975 1 61 56 ILE . 26975 1 62 57 HIS . 26975 1 63 58 GLU . 26975 1 64 59 ASP . 26975 1 65 60 GLY . 26975 1 66 61 TYR . 26975 1 67 62 SER . 26975 1 68 63 GLU . 26975 1 69 64 ASP . 26975 1 70 65 GLU . 26975 1 71 66 CYS . 26975 1 72 67 LYS . 26975 1 73 68 GLN . 26975 1 74 69 TYR . 26975 1 75 70 LYS . 26975 1 76 71 VAL . 26975 1 77 72 VAL . 26975 1 78 73 VAL . 26975 1 79 74 TYR . 26975 1 80 75 SER . 26975 1 81 76 ASN . 26975 1 82 77 THR . 26975 1 83 78 ILE . 26975 1 84 79 GLN . 26975 1 85 80 SER . 26975 1 86 81 ILE . 26975 1 87 82 ILE . 26975 1 88 83 ALA . 26975 1 89 84 ILE . 26975 1 90 85 ILE . 26975 1 91 86 ARG . 26975 1 92 87 ALA . 26975 1 93 88 MET . 26975 1 94 89 GLY . 26975 1 95 90 ARG . 26975 1 96 91 LEU . 26975 1 97 92 LYS . 26975 1 98 93 ILE . 26975 1 99 94 ASP . 26975 1 100 95 PHE . 26975 1 101 96 GLY . 26975 1 102 97 GLU . 26975 1 103 98 ALA . 26975 1 104 99 ALA . 26975 1 105 100 ARG . 26975 1 106 101 ALA . 26975 1 107 102 ASP . 26975 1 108 103 ASP . 26975 1 109 104 ALA . 26975 1 110 105 ARG . 26975 1 111 106 GLN . 26975 1 112 107 LEU . 26975 1 113 108 PHE . 26975 1 114 109 VAL . 26975 1 115 110 LEU . 26975 1 116 111 ALA . 26975 1 117 112 GLY . 26975 1 118 113 SER . 26975 1 119 114 ALA . 26975 1 120 115 GLU . 26975 1 121 116 GLU . 26975 1 122 117 GLY . 26975 1 123 118 VAL . 26975 1 124 119 MET . 26975 1 125 120 THR . 26975 1 126 121 PRO . 26975 1 127 122 GLU . 26975 1 128 123 LEU . 26975 1 129 124 ALA . 26975 1 130 125 GLY . 26975 1 131 126 VAL . 26975 1 132 127 ILE . 26975 1 133 128 LYS . 26975 1 134 129 ARG . 26975 1 135 130 LEU . 26975 1 136 131 TRP . 26975 1 137 132 ARG . 26975 1 138 133 ASP . 26975 1 139 134 GLY . 26975 1 140 135 GLY . 26975 1 141 136 VAL . 26975 1 142 137 GLN . 26975 1 143 138 ALA . 26975 1 144 139 CYS . 26975 1 145 140 PHE . 26975 1 146 141 SER . 26975 1 147 142 ARG . 26975 1 148 143 SER . 26975 1 149 144 ARG . 26975 1 150 145 GLU . 26975 1 151 146 TYR . 26975 1 152 147 GLN . 26975 1 153 148 LEU . 26975 1 154 149 ASN . 26975 1 155 150 ASP . 26975 1 156 151 SER . 26975 1 157 152 ALA . 26975 1 158 153 SER . 26975 1 159 154 TYR . 26975 1 160 155 TYR . 26975 1 161 156 LEU . 26975 1 162 157 ASN . 26975 1 163 158 ASP . 26975 1 164 159 LEU . 26975 1 165 160 ASP . 26975 1 166 161 ARG . 26975 1 167 162 ILE . 26975 1 168 163 SER . 26975 1 169 164 GLN . 26975 1 170 165 SER . 26975 1 171 166 ASN . 26975 1 172 167 TYR . 26975 1 173 168 ILE . 26975 1 174 169 PRO . 26975 1 175 170 THR . 26975 1 176 171 GLN . 26975 1 177 172 GLN . 26975 1 178 173 ASP . 26975 1 179 174 VAL . 26975 1 180 175 LEU . 26975 1 181 176 ARG . 26975 1 182 177 THR . 26975 1 183 178 ARG . 26975 1 184 179 VAL . 26975 1 185 180 LYS . 26975 1 186 181 THR . 26975 1 187 182 THR . 26975 1 188 183 GLY . 26975 1 189 184 ILE . 26975 1 190 185 VAL . 26975 1 191 186 GLU . 26975 1 192 187 THR . 26975 1 193 188 HIS . 26975 1 194 189 PHE . 26975 1 195 190 THR . 26975 1 196 191 PHE . 26975 1 197 192 LYS . 26975 1 198 193 ASP . 26975 1 199 194 LEU . 26975 1 200 195 TYR . 26975 1 201 196 PHE . 26975 1 202 197 LYS . 26975 1 203 198 MET . 26975 1 204 199 PHE . 26975 1 205 200 ASP . 26975 1 206 201 VAL . 26975 1 207 202 GLY . 26975 1 208 203 GLY . 26975 1 209 204 GLN . 26975 1 210 205 ARG . 26975 1 211 206 SER . 26975 1 212 207 GLU . 26975 1 213 208 ARG . 26975 1 214 209 LYS . 26975 1 215 210 LYS . 26975 1 216 211 TRP . 26975 1 217 212 ILE . 26975 1 218 213 HIS . 26975 1 219 214 CYS . 26975 1 220 215 PHE . 26975 1 221 216 GLU . 26975 1 222 217 GLY . 26975 1 223 218 VAL . 26975 1 224 219 THR . 26975 1 225 220 ALA . 26975 1 226 221 ILE . 26975 1 227 222 ILE . 26975 1 228 223 PHE . 26975 1 229 224 CYS . 26975 1 230 225 VAL . 26975 1 231 226 ALA . 26975 1 232 227 LEU . 26975 1 233 228 SER . 26975 1 234 229 ASP . 26975 1 235 230 TYR . 26975 1 236 231 ASP . 26975 1 237 232 LEU . 26975 1 238 233 VAL . 26975 1 239 234 LEU . 26975 1 240 235 ALA . 26975 1 241 236 GLU . 26975 1 242 237 ASP . 26975 1 243 238 GLU . 26975 1 244 239 GLU . 26975 1 245 240 MET . 26975 1 246 241 ASN . 26975 1 247 242 ARG . 26975 1 248 243 MET . 26975 1 249 244 HIS . 26975 1 250 245 GLU . 26975 1 251 246 SER . 26975 1 252 247 MET . 26975 1 253 248 LYS . 26975 1 254 249 LEU . 26975 1 255 250 PHE . 26975 1 256 251 ASP . 26975 1 257 252 SER . 26975 1 258 253 ILE . 26975 1 259 254 CYS . 26975 1 260 255 ASN . 26975 1 261 256 ASN . 26975 1 262 257 LYS . 26975 1 263 258 TRP . 26975 1 264 259 PHE . 26975 1 265 260 THR . 26975 1 266 261 GLU . 26975 1 267 262 THR . 26975 1 268 263 SER . 26975 1 269 264 ILE . 26975 1 270 265 ILE . 26975 1 271 266 LEU . 26975 1 272 267 PHE . 26975 1 273 268 LEU . 26975 1 274 269 ASN . 26975 1 275 270 LYS . 26975 1 276 271 LYS . 26975 1 277 272 ASP . 26975 1 278 273 LEU . 26975 1 279 274 PHE . 26975 1 280 275 GLU . 26975 1 281 276 GLU . 26975 1 282 277 LYS . 26975 1 283 278 ILE . 26975 1 284 279 LYS . 26975 1 285 280 ARG . 26975 1 286 281 SER . 26975 1 287 282 PRO . 26975 1 288 283 LEU . 26975 1 289 284 THR . 26975 1 290 285 ILE . 26975 1 291 286 CYS . 26975 1 292 287 TYR . 26975 1 293 288 PRO . 26975 1 294 289 GLU . 26975 1 295 290 TYR . 26975 1 296 291 THR . 26975 1 297 292 GLY . 26975 1 298 293 SER . 26975 1 299 294 ASN . 26975 1 300 295 THR . 26975 1 301 296 TYR . 26975 1 302 297 GLU . 26975 1 303 298 GLU . 26975 1 304 299 ALA . 26975 1 305 300 ALA . 26975 1 306 301 ALA . 26975 1 307 302 TYR . 26975 1 308 303 ILE . 26975 1 309 304 GLN . 26975 1 310 305 CYS . 26975 1 311 306 GLN . 26975 1 312 307 PHE . 26975 1 313 308 GLU . 26975 1 314 309 ASP . 26975 1 315 310 LEU . 26975 1 316 311 ASN . 26975 1 317 312 ARG . 26975 1 318 313 ARG . 26975 1 319 314 LYS . 26975 1 320 315 ASP . 26975 1 321 316 THR . 26975 1 322 317 LYS . 26975 1 323 318 GLU . 26975 1 324 319 ILE . 26975 1 325 320 TYR . 26975 1 326 321 THR . 26975 1 327 322 HIS . 26975 1 328 323 PHE . 26975 1 329 324 THR . 26975 1 330 325 CYS . 26975 1 331 326 ALA . 26975 1 332 327 THR . 26975 1 333 328 ASP . 26975 1 334 329 THR . 26975 1 335 330 LYS . 26975 1 336 331 ASN . 26975 1 337 332 VAL . 26975 1 338 333 GLN . 26975 1 339 334 PHE . 26975 1 340 335 VAL . 26975 1 341 336 PHE . 26975 1 342 337 ASP . 26975 1 343 338 ALA . 26975 1 344 339 VAL . 26975 1 345 340 THR . 26975 1 346 341 ASP . 26975 1 347 342 VAL . 26975 1 348 343 ILE . 26975 1 349 344 ILE . 26975 1 350 345 LYS . 26975 1 351 346 ASN . 26975 1 352 347 ASN . 26975 1 353 348 LEU . 26975 1 354 349 LYS . 26975 1 355 350 GLU . 26975 1 356 351 CYS . 26975 1 357 352 GLY . 26975 1 358 353 LEU . 26975 1 359 354 TYR . 26975 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 26975 1 . PRO 2 2 26975 1 . ASP 3 3 26975 1 . ASP 4 4 26975 1 . HIS 5 5 26975 1 . MET 6 6 26975 1 . GLY 7 7 26975 1 . CYS 8 8 26975 1 . THR 9 9 26975 1 . LEU 10 10 26975 1 . SER 11 11 26975 1 . ALA 12 12 26975 1 . GLU 13 13 26975 1 . ASP 14 14 26975 1 . LYS 15 15 26975 1 . ALA 16 16 26975 1 . ALA 17 17 26975 1 . VAL 18 18 26975 1 . GLU 19 19 26975 1 . ARG 20 20 26975 1 . SER 21 21 26975 1 . LYS 22 22 26975 1 . MET 23 23 26975 1 . ILE 24 24 26975 1 . ASP 25 25 26975 1 . ARG 26 26 26975 1 . ASN 27 27 26975 1 . LEU 28 28 26975 1 . ARG 29 29 26975 1 . GLU 30 30 26975 1 . ASP 31 31 26975 1 . GLY 32 32 26975 1 . GLU 33 33 26975 1 . LYS 34 34 26975 1 . ALA 35 35 26975 1 . ALA 36 36 26975 1 . LYS 37 37 26975 1 . GLU 38 38 26975 1 . VAL 39 39 26975 1 . LYS 40 40 26975 1 . LEU 41 41 26975 1 . LEU 42 42 26975 1 . LEU 43 43 26975 1 . LEU 44 44 26975 1 . GLY 45 45 26975 1 . ALA 46 46 26975 1 . GLY 47 47 26975 1 . GLU 48 48 26975 1 . SER 49 49 26975 1 . GLY 50 50 26975 1 . LYS 51 51 26975 1 . SER 52 52 26975 1 . THR 53 53 26975 1 . ILE 54 54 26975 1 . VAL 55 55 26975 1 . LYS 56 56 26975 1 . GLN 57 57 26975 1 . MET 58 58 26975 1 . LYS 59 59 26975 1 . ILE 60 60 26975 1 . ILE 61 61 26975 1 . HIS 62 62 26975 1 . GLU 63 63 26975 1 . ASP 64 64 26975 1 . GLY 65 65 26975 1 . TYR 66 66 26975 1 . SER 67 67 26975 1 . GLU 68 68 26975 1 . ASP 69 69 26975 1 . GLU 70 70 26975 1 . CYS 71 71 26975 1 . LYS 72 72 26975 1 . GLN 73 73 26975 1 . TYR 74 74 26975 1 . LYS 75 75 26975 1 . VAL 76 76 26975 1 . VAL 77 77 26975 1 . VAL 78 78 26975 1 . TYR 79 79 26975 1 . SER 80 80 26975 1 . ASN 81 81 26975 1 . THR 82 82 26975 1 . ILE 83 83 26975 1 . GLN 84 84 26975 1 . SER 85 85 26975 1 . ILE 86 86 26975 1 . ILE 87 87 26975 1 . ALA 88 88 26975 1 . ILE 89 89 26975 1 . ILE 90 90 26975 1 . ARG 91 91 26975 1 . ALA 92 92 26975 1 . MET 93 93 26975 1 . GLY 94 94 26975 1 . ARG 95 95 26975 1 . LEU 96 96 26975 1 . LYS 97 97 26975 1 . ILE 98 98 26975 1 . ASP 99 99 26975 1 . PHE 100 100 26975 1 . GLY 101 101 26975 1 . GLU 102 102 26975 1 . ALA 103 103 26975 1 . ALA 104 104 26975 1 . ARG 105 105 26975 1 . ALA 106 106 26975 1 . ASP 107 107 26975 1 . ASP 108 108 26975 1 . ALA 109 109 26975 1 . ARG 110 110 26975 1 . GLN 111 111 26975 1 . LEU 112 112 26975 1 . PHE 113 113 26975 1 . VAL 114 114 26975 1 . LEU 115 115 26975 1 . ALA 116 116 26975 1 . GLY 117 117 26975 1 . SER 118 118 26975 1 . ALA 119 119 26975 1 . GLU 120 120 26975 1 . GLU 121 121 26975 1 . GLY 122 122 26975 1 . VAL 123 123 26975 1 . MET 124 124 26975 1 . THR 125 125 26975 1 . PRO 126 126 26975 1 . GLU 127 127 26975 1 . LEU 128 128 26975 1 . ALA 129 129 26975 1 . GLY 130 130 26975 1 . VAL 131 131 26975 1 . ILE 132 132 26975 1 . LYS 133 133 26975 1 . ARG 134 134 26975 1 . LEU 135 135 26975 1 . TRP 136 136 26975 1 . ARG 137 137 26975 1 . ASP 138 138 26975 1 . GLY 139 139 26975 1 . GLY 140 140 26975 1 . VAL 141 141 26975 1 . GLN 142 142 26975 1 . ALA 143 143 26975 1 . CYS 144 144 26975 1 . PHE 145 145 26975 1 . SER 146 146 26975 1 . ARG 147 147 26975 1 . SER 148 148 26975 1 . ARG 149 149 26975 1 . GLU 150 150 26975 1 . TYR 151 151 26975 1 . GLN 152 152 26975 1 . LEU 153 153 26975 1 . ASN 154 154 26975 1 . ASP 155 155 26975 1 . SER 156 156 26975 1 . ALA 157 157 26975 1 . SER 158 158 26975 1 . TYR 159 159 26975 1 . TYR 160 160 26975 1 . LEU 161 161 26975 1 . ASN 162 162 26975 1 . ASP 163 163 26975 1 . LEU 164 164 26975 1 . ASP 165 165 26975 1 . ARG 166 166 26975 1 . ILE 167 167 26975 1 . SER 168 168 26975 1 . GLN 169 169 26975 1 . SER 170 170 26975 1 . ASN 171 171 26975 1 . TYR 172 172 26975 1 . ILE 173 173 26975 1 . PRO 174 174 26975 1 . THR 175 175 26975 1 . GLN 176 176 26975 1 . GLN 177 177 26975 1 . ASP 178 178 26975 1 . VAL 179 179 26975 1 . LEU 180 180 26975 1 . ARG 181 181 26975 1 . THR 182 182 26975 1 . ARG 183 183 26975 1 . VAL 184 184 26975 1 . LYS 185 185 26975 1 . THR 186 186 26975 1 . THR 187 187 26975 1 . GLY 188 188 26975 1 . ILE 189 189 26975 1 . VAL 190 190 26975 1 . GLU 191 191 26975 1 . THR 192 192 26975 1 . HIS 193 193 26975 1 . PHE 194 194 26975 1 . THR 195 195 26975 1 . PHE 196 196 26975 1 . LYS 197 197 26975 1 . ASP 198 198 26975 1 . LEU 199 199 26975 1 . TYR 200 200 26975 1 . PHE 201 201 26975 1 . LYS 202 202 26975 1 . MET 203 203 26975 1 . PHE 204 204 26975 1 . ASP 205 205 26975 1 . VAL 206 206 26975 1 . GLY 207 207 26975 1 . GLY 208 208 26975 1 . GLN 209 209 26975 1 . ARG 210 210 26975 1 . SER 211 211 26975 1 . GLU 212 212 26975 1 . ARG 213 213 26975 1 . LYS 214 214 26975 1 . LYS 215 215 26975 1 . TRP 216 216 26975 1 . ILE 217 217 26975 1 . HIS 218 218 26975 1 . CYS 219 219 26975 1 . PHE 220 220 26975 1 . GLU 221 221 26975 1 . GLY 222 222 26975 1 . VAL 223 223 26975 1 . THR 224 224 26975 1 . ALA 225 225 26975 1 . ILE 226 226 26975 1 . ILE 227 227 26975 1 . PHE 228 228 26975 1 . CYS 229 229 26975 1 . VAL 230 230 26975 1 . ALA 231 231 26975 1 . LEU 232 232 26975 1 . SER 233 233 26975 1 . ASP 234 234 26975 1 . TYR 235 235 26975 1 . ASP 236 236 26975 1 . LEU 237 237 26975 1 . VAL 238 238 26975 1 . LEU 239 239 26975 1 . ALA 240 240 26975 1 . GLU 241 241 26975 1 . ASP 242 242 26975 1 . GLU 243 243 26975 1 . GLU 244 244 26975 1 . MET 245 245 26975 1 . ASN 246 246 26975 1 . ARG 247 247 26975 1 . MET 248 248 26975 1 . HIS 249 249 26975 1 . GLU 250 250 26975 1 . SER 251 251 26975 1 . MET 252 252 26975 1 . LYS 253 253 26975 1 . LEU 254 254 26975 1 . PHE 255 255 26975 1 . ASP 256 256 26975 1 . SER 257 257 26975 1 . ILE 258 258 26975 1 . CYS 259 259 26975 1 . ASN 260 260 26975 1 . ASN 261 261 26975 1 . LYS 262 262 26975 1 . TRP 263 263 26975 1 . PHE 264 264 26975 1 . THR 265 265 26975 1 . GLU 266 266 26975 1 . THR 267 267 26975 1 . SER 268 268 26975 1 . ILE 269 269 26975 1 . ILE 270 270 26975 1 . LEU 271 271 26975 1 . PHE 272 272 26975 1 . LEU 273 273 26975 1 . ASN 274 274 26975 1 . LYS 275 275 26975 1 . LYS 276 276 26975 1 . ASP 277 277 26975 1 . LEU 278 278 26975 1 . PHE 279 279 26975 1 . GLU 280 280 26975 1 . GLU 281 281 26975 1 . LYS 282 282 26975 1 . ILE 283 283 26975 1 . LYS 284 284 26975 1 . ARG 285 285 26975 1 . SER 286 286 26975 1 . PRO 287 287 26975 1 . LEU 288 288 26975 1 . THR 289 289 26975 1 . ILE 290 290 26975 1 . CYS 291 291 26975 1 . TYR 292 292 26975 1 . PRO 293 293 26975 1 . GLU 294 294 26975 1 . TYR 295 295 26975 1 . THR 296 296 26975 1 . GLY 297 297 26975 1 . SER 298 298 26975 1 . ASN 299 299 26975 1 . THR 300 300 26975 1 . TYR 301 301 26975 1 . GLU 302 302 26975 1 . GLU 303 303 26975 1 . ALA 304 304 26975 1 . ALA 305 305 26975 1 . ALA 306 306 26975 1 . TYR 307 307 26975 1 . ILE 308 308 26975 1 . GLN 309 309 26975 1 . CYS 310 310 26975 1 . GLN 311 311 26975 1 . PHE 312 312 26975 1 . GLU 313 313 26975 1 . ASP 314 314 26975 1 . LEU 315 315 26975 1 . ASN 316 316 26975 1 . ARG 317 317 26975 1 . ARG 318 318 26975 1 . LYS 319 319 26975 1 . ASP 320 320 26975 1 . THR 321 321 26975 1 . LYS 322 322 26975 1 . GLU 323 323 26975 1 . ILE 324 324 26975 1 . TYR 325 325 26975 1 . THR 326 326 26975 1 . HIS 327 327 26975 1 . PHE 328 328 26975 1 . THR 329 329 26975 1 . CYS 330 330 26975 1 . ALA 331 331 26975 1 . THR 332 332 26975 1 . ASP 333 333 26975 1 . THR 334 334 26975 1 . LYS 335 335 26975 1 . ASN 336 336 26975 1 . VAL 337 337 26975 1 . GLN 338 338 26975 1 . PHE 339 339 26975 1 . VAL 340 340 26975 1 . PHE 341 341 26975 1 . ASP 342 342 26975 1 . ALA 343 343 26975 1 . VAL 344 344 26975 1 . THR 345 345 26975 1 . ASP 346 346 26975 1 . VAL 347 347 26975 1 . ILE 348 348 26975 1 . ILE 349 349 26975 1 . LYS 350 350 26975 1 . ASN 351 351 26975 1 . ASN 352 352 26975 1 . LEU 353 353 26975 1 . LYS 354 354 26975 1 . GLU 355 355 26975 1 . CYS 356 356 26975 1 . GLY 357 357 26975 1 . LEU 358 358 26975 1 . TYR 359 359 26975 1 stop_ save_ save_entity_GDP _Entity.Sf_category entity _Entity.Sf_framecode entity_GDP _Entity.Entry_ID 26975 _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 26975 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 26975 2 GDP 'Three letter code' 26975 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 26975 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26975 _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 . . . . . . . . . . . . . 26975 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 26975 _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(+) . . . 26975 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 26975 _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 26975 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 26975 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 26975 GDP O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O SMILES ACDLabs 12.01 26975 GDP QGWNDRXFNXRZMB-UUOKFMHZSA-N InChIKey InChI 1.03 26975 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 26975 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 26975 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 26975 GDP "guanosine 5'-(trihydrogen diphosphate)" 'SYSTEMATIC NAME' ACDLabs 12.01 26975 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 . 26975 GDP O1B O1B O1B O1B . O . . N 0 . . . 1 no no . . . . 14.317 . 18.299 . 28.131 . -6.829 -0.831 -0.300 2 . 26975 GDP O2B O2B O2B O2B . O . . N 0 . . . 1 no no . . . . 14.465 . 15.868 . 28.851 . -6.293 -1.885 1.930 3 . 26975 GDP O3B O3B O3B O3B . O . . N 0 . . . 1 no no . . . . 12.657 . 17.014 . 29.609 . -5.234 -2.787 -0.301 4 . 26975 GDP O3A O3A O3A O3A . O . . N 0 . . . 1 no no . . . . 13.031 . 16.438 . 26.904 . -4.519 -0.438 0.638 5 . 26975 GDP PA PA PA PA . P . . N 0 . . . 1 no no . . . . 12.164 . 17.382 . 25.843 . -3.821 0.633 -0.340 6 . 26975 GDP O1A O1A O1A O1A . O . . N 0 . . . 1 no no . . . . 11.308 . 16.310 . 25.239 . -3.718 0.063 -1.702 7 . 26975 GDP O2A O2A O2A O2A . O . . N 0 . . . 1 no no . . . . 11.654 . 18.737 . 26.082 . -4.708 1.976 -0.386 8 . 26975 GDP O5' O5' O5' O5' . O . . N 0 . . . 1 no no . . . . 13.417 . 17.470 . 24.852 . -2.348 0.981 0.208 9 . 26975 GDP C5' C5' C5' C5' . C . . N 0 . . . 1 no no . . . . 14.543 . 18.324 . 25.037 . -1.434 1.823 -0.497 10 . 26975 GDP C4' C4' C4' C4' . C . . R 0 . . . 1 no no . . . . 15.043 . 18.710 . 23.648 . -0.133 1.943 0.299 11 . 26975 GDP O4' O4' O4' O4' . O . . N 0 . . . 1 no no . . . . 15.183 . 17.536 . 22.793 . 0.533 0.670 0.344 12 . 26975 GDP C3' C3' C3' C3' . C . . S 0 . . . 1 no no . . . . 13.926 . 19.400 . 22.829 . 0.820 2.933 -0.399 13 . 26975 GDP O3' O3' O3' O3' . O . . N 0 . . . 1 no no . . . . 14.002 . 20.787 . 23.226 . 1.125 4.028 0.467 14 . 26975 GDP C2' C2' C2' C2' . C . . R 0 . . . 1 no no . . . . 14.511 . 19.303 . 21.406 . 2.091 2.098 -0.686 15 . 26975 GDP O2' O2' O2' O2' . O . . N 0 . . . 1 no no . . . . 15.627 . 20.165 . 21.220 . 3.271 2.861 -0.428 16 . 26975 GDP C1' C1' C1' C1' . C . . R 0 . . . 1 no no . . . . 15.015 . 17.874 . 21.438 . 1.952 0.935 0.329 17 . 26975 GDP N9 N9 N9 N9 . N . . N 0 . . . 1 yes no . . . . 13.968 . 16.928 . 20.922 . 2.691 -0.243 -0.132 18 . 26975 GDP C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . 13.129 . 16.056 . 21.555 . 2.200 -1.252 -0.908 19 . 26975 GDP N7 N7 N7 N7 . N . . N 0 . . . 1 yes no . . . . 12.358 . 15.405 . 20.737 . 3.131 -2.134 -1.125 20 . 26975 GDP C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . 12.701 . 15.869 . 19.474 . 4.272 -1.746 -0.504 21 . 26975 GDP C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 12.214 . 15.545 . 18.183 . 5.571 -2.295 -0.396 22 . 26975 GDP O6 O6 O6 O6 . O . . N 0 . . . 1 no no . . . . 11.326 . 14.728 . 17.882 . 5.850 -3.350 -0.939 23 . 26975 GDP N1 N1 N1 N1 . N . . N 0 . . . 1 no no . . . . 12.870 . 16.282 . 17.187 . 6.495 -1.620 0.324 24 . 26975 GDP C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 13.858 . 17.205 . 17.402 . 6.171 -0.441 0.927 25 . 26975 GDP N2 N2 N2 N2 . N . . N 0 . . . 1 no no . . . . 14.348 . 17.795 . 16.316 . 7.130 0.222 1.651 26 . 26975 GDP N3 N3 N3 N3 . N . . N 0 . . . 1 no no . . . . 14.329 . 17.524 . 18.614 . 4.968 0.079 0.834 27 . 26975 GDP C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . 13.701 . 16.819 . 19.565 . 4.003 -0.529 0.133 28 . 26975 GDP HOB2 HOB2 HOB2 HOB2 . H . . N 0 . . . 0 no no . . . . 15.376 . 16.131 . 28.902 . -7.033 -2.508 1.908 29 . 26975 GDP HOB3 HOB3 HOB3 HOB3 . H . . N 0 . . . 0 no no . . . . 12.643 . 17.873 . 30.015 . -4.521 -3.259 0.151 30 . 26975 GDP HOA2 HOA2 HOA2 HOA2 . H . . N 0 . . . 0 no no . . . . 10.749 . 18.789 . 25.799 . -4.818 2.404 0.474 31 . 26975 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 . 26975 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 . 26975 GDP H4' H4' H4' H4' . H . . N 0 . . . 1 no no . . . . 15.955 . 19.324 . 23.692 . -0.349 2.285 1.312 34 . 26975 GDP H3' H3' H3' H3' . H . . N 0 . . . 1 no no . . . . 12.939 . 18.927 . 22.938 . 0.380 3.294 -1.329 35 . 26975 GDP HO3' HO3' HO3' HO3' . H . . N 0 . . . 0 no yes . . . . 13.340 . 21.286 . 22.762 . 1.722 4.683 0.078 36 . 26975 GDP H2' H2' H2' H2' . H . . N 0 . . . 1 no no . . . . 13.729 . 19.439 . 20.644 . 2.088 1.724 -1.710 37 . 26975 GDP HO2' HO2' HO2' HO2' . H . . N 0 . . . 0 no no . . . . 15.954 . 20.073 . 20.333 . 3.357 3.652 -0.979 38 . 26975 GDP H1' H1' H1' H1' . H . . N 0 . . . 1 no no . . . . 15.948 . 17.778 . 20.863 . 2.295 1.244 1.316 39 . 26975 GDP H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . 13.109 . 15.921 . 22.626 . 1.190 -1.310 -1.285 40 . 26975 GDP HN1 HN1 HN1 HN1 . H . . N 0 . . . 1 no no . . . . 12.593 . 16.120 . 16.240 . 7.392 -1.977 0.412 41 . 26975 GDP HN21 HN21 HN21 HN21 . H . . N 0 . . . 0 no no . . . . 15.071 . 18.480 . 16.402 . 8.023 -0.150 1.728 42 . 26975 GDP HN22 HN22 HN22 HN22 . H . . N 0 . . . 0 no no . . . . 13.993 . 17.554 . 15.413 . 6.915 1.062 2.086 43 . 26975 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 . 26975 GDP 2 . SING PB O2B no N 2 . 26975 GDP 3 . SING PB O3B no N 3 . 26975 GDP 4 . SING PB O3A no N 4 . 26975 GDP 5 . SING O2B HOB2 no N 5 . 26975 GDP 6 . SING O3B HOB3 no N 6 . 26975 GDP 7 . SING O3A PA no N 7 . 26975 GDP 8 . DOUB PA O1A no N 8 . 26975 GDP 9 . SING PA O2A no N 9 . 26975 GDP 10 . SING PA O5' no N 10 . 26975 GDP 11 . SING O2A HOA2 no N 11 . 26975 GDP 12 . SING O5' C5' no N 12 . 26975 GDP 13 . SING C5' C4' no N 13 . 26975 GDP 14 . SING C5' H5' no N 14 . 26975 GDP 15 . SING C5' H5'' no N 15 . 26975 GDP 16 . SING C4' O4' no N 16 . 26975 GDP 17 . SING C4' C3' no N 17 . 26975 GDP 18 . SING C4' H4' no N 18 . 26975 GDP 19 . SING O4' C1' no N 19 . 26975 GDP 20 . SING C3' O3' no N 20 . 26975 GDP 21 . SING C3' C2' no N 21 . 26975 GDP 22 . SING C3' H3' no N 22 . 26975 GDP 23 . SING O3' HO3' no N 23 . 26975 GDP 24 . SING C2' O2' no N 24 . 26975 GDP 25 . SING C2' C1' no N 25 . 26975 GDP 26 . SING C2' H2' no N 26 . 26975 GDP 27 . SING O2' HO2' no N 27 . 26975 GDP 28 . SING C1' N9 no N 28 . 26975 GDP 29 . SING C1' H1' no N 29 . 26975 GDP 30 . SING N9 C8 yes N 30 . 26975 GDP 31 . SING N9 C4 yes N 31 . 26975 GDP 32 . DOUB C8 N7 yes N 32 . 26975 GDP 33 . SING C8 H8 no N 33 . 26975 GDP 34 . SING N7 C5 yes N 34 . 26975 GDP 35 . SING C5 C6 no N 35 . 26975 GDP 36 . DOUB C5 C4 yes N 36 . 26975 GDP 37 . DOUB C6 O6 no N 37 . 26975 GDP 38 . SING C6 N1 no N 38 . 26975 GDP 39 . SING N1 C2 no N 39 . 26975 GDP 40 . SING N1 HN1 no N 40 . 26975 GDP 41 . SING C2 N2 no N 41 . 26975 GDP 42 . DOUB C2 N3 no N 42 . 26975 GDP 43 . SING N2 HN21 no N 43 . 26975 GDP 44 . SING N2 HN22 no N 44 . 26975 GDP 45 . SING N3 C4 no N 45 . 26975 GDP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26975 _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 . . 800 . . uM . . . . 26975 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 26975 1 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 26975 1 4 GUANOSINE-5'-DIPHOSPHATE 'natural abundance' . . 2 $entity_GDP . . 500 . . uM . . . . 26975 1 5 DSS 'natural abundance' . . . . . . 100 . . uM . . . . 26975 1 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 26975 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 26975 _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 26975 1 pD 7 . pH 26975 1 pressure 1 . atm 26975 1 temperature 293 . K 26975 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26975 _Software.ID 1 _Software.Name TOPSPIN _Software.Version v2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26975 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26975 1 processing 26975 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26975 _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 . . 26975 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26975 2 'data analysis' 26975 2 'peak picking' 26975 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 26975 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 26975 _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 . 600 . . . 26975 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 26975 _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 . . . . . . . . . . . . . . . . 26975 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26975 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 26975 _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 . . . . . 26975 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26975 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 26975 _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' . . . 26975 1 2 '3D 1H-13C NOESY aliphatic' . . . 26975 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 0.844 0.0196 . 2 . . . . 5 LEU HD2 . 26975 1 2 . 1 1 10 10 LEU HD22 H 1 0.844 0.0196 . 2 . . . . 5 LEU HD2 . 26975 1 3 . 1 1 10 10 LEU HD23 H 1 0.844 0.0196 . 2 . . . . 5 LEU HD2 . 26975 1 4 . 1 1 10 10 LEU CD2 C 13 23.322 0.133 . 2 . . . . 5 LEU CD2 . 26975 1 5 . 1 1 12 12 ALA HB1 H 1 1.438 0.0196 . 1 . . . . 7 ALA HB . 26975 1 6 . 1 1 12 12 ALA HB2 H 1 1.438 0.0196 . 1 . . . . 7 ALA HB . 26975 1 7 . 1 1 12 12 ALA HB3 H 1 1.438 0.0196 . 1 . . . . 7 ALA HB . 26975 1 8 . 1 1 12 12 ALA CB C 13 18.465 0.133 . 1 . . . . 7 ALA CB . 26975 1 9 . 1 1 16 16 ALA HB1 H 1 1.457 0.0196 . 1 . . . . 11 ALA HB . 26975 1 10 . 1 1 16 16 ALA HB2 H 1 1.457 0.0196 . 1 . . . . 11 ALA HB . 26975 1 11 . 1 1 16 16 ALA HB3 H 1 1.457 0.0196 . 1 . . . . 11 ALA HB . 26975 1 12 . 1 1 16 16 ALA CB C 13 18.187 0.133 . 1 . . . . 11 ALA CB . 26975 1 13 . 1 1 17 17 ALA HB1 H 1 1.498 0.0196 . 1 . . . . 12 ALA HB . 26975 1 14 . 1 1 17 17 ALA HB2 H 1 1.498 0.0196 . 1 . . . . 12 ALA HB . 26975 1 15 . 1 1 17 17 ALA HB3 H 1 1.498 0.0196 . 1 . . . . 12 ALA HB . 26975 1 16 . 1 1 17 17 ALA CB C 13 18.337 0.133 . 1 . . . . 12 ALA CB . 26975 1 17 . 1 1 18 18 VAL HG21 H 1 1.018 0.0196 . 2 . . . . 13 VAL HG2 . 26975 1 18 . 1 1 18 18 VAL HG22 H 1 1.018 0.0196 . 2 . . . . 13 VAL HG2 . 26975 1 19 . 1 1 18 18 VAL HG23 H 1 1.018 0.0196 . 2 . . . . 13 VAL HG2 . 26975 1 20 . 1 1 18 18 VAL CG2 C 13 21.449 0.133 . 2 . . . . 13 VAL CG2 . 26975 1 21 . 1 1 24 24 ILE HD11 H 1 0.836 0.0196 . 1 . . . . 19 ILE HD1 . 26975 1 22 . 1 1 24 24 ILE HD12 H 1 0.836 0.0196 . 1 . . . . 19 ILE HD1 . 26975 1 23 . 1 1 24 24 ILE HD13 H 1 0.836 0.0196 . 1 . . . . 19 ILE HD1 . 26975 1 24 . 1 1 24 24 ILE CD1 C 13 12.693 0.133 . 1 . . . . 19 ILE CD1 . 26975 1 25 . 1 1 28 28 LEU HD21 H 1 0.831 0.0196 . 2 . . . . 23 LEU HD2 . 26975 1 26 . 1 1 28 28 LEU HD22 H 1 0.831 0.0196 . 2 . . . . 23 LEU HD2 . 26975 1 27 . 1 1 28 28 LEU HD23 H 1 0.831 0.0196 . 2 . . . . 23 LEU HD2 . 26975 1 28 . 1 1 28 28 LEU CD2 C 13 23.092 0.133 . 2 . . . . 23 LEU CD2 . 26975 1 29 . 1 1 35 35 ALA HB1 H 1 1.322 0.0196 . 1 . . . . 30 ALA HB . 26975 1 30 . 1 1 35 35 ALA HB2 H 1 1.322 0.0196 . 1 . . . . 30 ALA HB . 26975 1 31 . 1 1 35 35 ALA HB3 H 1 1.322 0.0196 . 1 . . . . 30 ALA HB . 26975 1 32 . 1 1 35 35 ALA CB C 13 19.152 0.133 . 1 . . . . 30 ALA CB . 26975 1 33 . 1 1 36 36 ALA HB1 H 1 1.296 0.0196 . 1 . . . . 31 ALA HB . 26975 1 34 . 1 1 36 36 ALA HB2 H 1 1.296 0.0196 . 1 . . . . 31 ALA HB . 26975 1 35 . 1 1 36 36 ALA HB3 H 1 1.296 0.0196 . 1 . . . . 31 ALA HB . 26975 1 36 . 1 1 36 36 ALA CB C 13 19.311 0.133 . 1 . . . . 31 ALA CB . 26975 1 37 . 1 1 39 39 VAL HG21 H 1 0.337 0.0196 . 2 . . . . 34 VAL HG2 . 26975 1 38 . 1 1 39 39 VAL HG22 H 1 0.337 0.0196 . 2 . . . . 34 VAL HG2 . 26975 1 39 . 1 1 39 39 VAL HG23 H 1 0.337 0.0196 . 2 . . . . 34 VAL HG2 . 26975 1 40 . 1 1 39 39 VAL CG2 C 13 20.642 0.133 . 2 . . . . 34 VAL CG2 . 26975 1 41 . 1 1 41 41 LEU HD21 H 1 0.907 0.0196 . 2 . . . . 36 LEU HD2 . 26975 1 42 . 1 1 41 41 LEU HD22 H 1 0.907 0.0196 . 2 . . . . 36 LEU HD2 . 26975 1 43 . 1 1 41 41 LEU HD23 H 1 0.907 0.0196 . 2 . . . . 36 LEU HD2 . 26975 1 44 . 1 1 41 41 LEU CD2 C 13 25.494 0.133 . 2 . . . . 36 LEU CD2 . 26975 1 45 . 1 1 42 42 LEU HD21 H 1 0.988 0.0196 . 2 . . . . 37 LEU HD2 . 26975 1 46 . 1 1 42 42 LEU HD22 H 1 0.988 0.0196 . 2 . . . . 37 LEU HD2 . 26975 1 47 . 1 1 42 42 LEU HD23 H 1 0.988 0.0196 . 2 . . . . 37 LEU HD2 . 26975 1 48 . 1 1 42 42 LEU CD2 C 13 23.33 0.133 . 2 . . . . 37 LEU CD2 . 26975 1 49 . 1 1 43 43 LEU HD21 H 1 0.832 0.0196 . 2 . . . . 38 LEU HD2 . 26975 1 50 . 1 1 43 43 LEU HD22 H 1 0.832 0.0196 . 2 . . . . 38 LEU HD2 . 26975 1 51 . 1 1 43 43 LEU HD23 H 1 0.832 0.0196 . 2 . . . . 38 LEU HD2 . 26975 1 52 . 1 1 43 43 LEU CD2 C 13 26.108 0.133 . 2 . . . . 38 LEU CD2 . 26975 1 53 . 1 1 44 44 LEU HD21 H 1 0.751 0.0196 . 2 . . . . 39 LEU HD2 . 26975 1 54 . 1 1 44 44 LEU HD22 H 1 0.751 0.0196 . 2 . . . . 39 LEU HD2 . 26975 1 55 . 1 1 44 44 LEU HD23 H 1 0.751 0.0196 . 2 . . . . 39 LEU HD2 . 26975 1 56 . 1 1 44 44 LEU CD2 C 13 24.086 0.133 . 2 . . . . 39 LEU CD2 . 26975 1 57 . 1 1 46 46 ALA HB1 H 1 1.558 0.0196 . 1 . . . . 41 ALA HB . 26975 1 58 . 1 1 46 46 ALA HB2 H 1 1.558 0.0196 . 1 . . . . 41 ALA HB . 26975 1 59 . 1 1 46 46 ALA HB3 H 1 1.558 0.0196 . 1 . . . . 41 ALA HB . 26975 1 60 . 1 1 46 46 ALA CB C 13 19.311 0.133 . 1 . . . . 41 ALA CB . 26975 1 61 . 1 1 54 54 ILE HD11 H 1 0.888 0.0196 . 1 . . . . 49 ILE HD1 . 26975 1 62 . 1 1 54 54 ILE HD12 H 1 0.888 0.0196 . 1 . . . . 49 ILE HD1 . 26975 1 63 . 1 1 54 54 ILE HD13 H 1 0.888 0.0196 . 1 . . . . 49 ILE HD1 . 26975 1 64 . 1 1 54 54 ILE CD1 C 13 11.927 0.133 . 1 . . . . 49 ILE CD1 . 26975 1 65 . 1 1 55 55 VAL HG21 H 1 0.905 0.0196 . 2 . . . . 50 VAL HG2 . 26975 1 66 . 1 1 55 55 VAL HG22 H 1 0.905 0.0196 . 2 . . . . 50 VAL HG2 . 26975 1 67 . 1 1 55 55 VAL HG23 H 1 0.905 0.0196 . 2 . . . . 50 VAL HG2 . 26975 1 68 . 1 1 55 55 VAL CG2 C 13 23.078 0.133 . 2 . . . . 50 VAL CG2 . 26975 1 69 . 1 1 60 60 ILE HD11 H 1 0.718 0.0196 . 1 . . . . 55 ILE HD1 . 26975 1 70 . 1 1 60 60 ILE HD12 H 1 0.718 0.0196 . 1 . . . . 55 ILE HD1 . 26975 1 71 . 1 1 60 60 ILE HD13 H 1 0.718 0.0196 . 1 . . . . 55 ILE HD1 . 26975 1 72 . 1 1 60 60 ILE CD1 C 13 13.846 0.133 . 1 . . . . 55 ILE CD1 . 26975 1 73 . 1 1 61 61 ILE HD11 H 1 0.35 0.0196 . 1 . . . . 56 ILE HD1 . 26975 1 74 . 1 1 61 61 ILE HD12 H 1 0.35 0.0196 . 1 . . . . 56 ILE HD1 . 26975 1 75 . 1 1 61 61 ILE HD13 H 1 0.35 0.0196 . 1 . . . . 56 ILE HD1 . 26975 1 76 . 1 1 61 61 ILE CD1 C 13 13.555 0.133 . 1 . . . . 56 ILE CD1 . 26975 1 77 . 1 1 76 76 VAL HG21 H 1 1.017 0.0196 . 2 . . . . 71 VAL HG2 . 26975 1 78 . 1 1 76 76 VAL HG22 H 1 1.017 0.0196 . 2 . . . . 71 VAL HG2 . 26975 1 79 . 1 1 76 76 VAL HG23 H 1 1.017 0.0196 . 2 . . . . 71 VAL HG2 . 26975 1 80 . 1 1 76 76 VAL CG2 C 13 20.713 0.133 . 2 . . . . 71 VAL CG2 . 26975 1 81 . 1 1 77 77 VAL HG21 H 1 0.955 0.0196 . 2 . . . . 72 VAL HG2 . 26975 1 82 . 1 1 77 77 VAL HG22 H 1 0.955 0.0196 . 2 . . . . 72 VAL HG2 . 26975 1 83 . 1 1 77 77 VAL HG23 H 1 0.955 0.0196 . 2 . . . . 72 VAL HG2 . 26975 1 84 . 1 1 77 77 VAL CG2 C 13 21.604 0.133 . 2 . . . . 72 VAL CG2 . 26975 1 85 . 1 1 78 78 VAL HG21 H 1 1.005 0.0196 . 2 . . . . 73 VAL HG2 . 26975 1 86 . 1 1 78 78 VAL HG22 H 1 1.005 0.0196 . 2 . . . . 73 VAL HG2 . 26975 1 87 . 1 1 78 78 VAL HG23 H 1 1.005 0.0196 . 2 . . . . 73 VAL HG2 . 26975 1 88 . 1 1 78 78 VAL CG2 C 13 21.175 0.133 . 2 . . . . 73 VAL CG2 . 26975 1 89 . 1 1 83 83 ILE HD11 H 1 0.754 0.0196 . 1 . . . . 78 ILE HD1 . 26975 1 90 . 1 1 83 83 ILE HD12 H 1 0.754 0.0196 . 1 . . . . 78 ILE HD1 . 26975 1 91 . 1 1 83 83 ILE HD13 H 1 0.754 0.0196 . 1 . . . . 78 ILE HD1 . 26975 1 92 . 1 1 83 83 ILE CD1 C 13 13.782 0.133 . 1 . . . . 78 ILE CD1 . 26975 1 93 . 1 1 86 86 ILE HD11 H 1 1.158 0.0196 . 1 . . . . 81 ILE HD1 . 26975 1 94 . 1 1 86 86 ILE HD12 H 1 1.158 0.0196 . 1 . . . . 81 ILE HD1 . 26975 1 95 . 1 1 86 86 ILE HD13 H 1 1.158 0.0196 . 1 . . . . 81 ILE HD1 . 26975 1 96 . 1 1 86 86 ILE CD1 C 13 14.194 0.133 . 1 . . . . 81 ILE CD1 . 26975 1 97 . 1 1 87 87 ILE HD11 H 1 0.697 0.0196 . 1 . . . . 82 ILE HD1 . 26975 1 98 . 1 1 87 87 ILE HD12 H 1 0.697 0.0196 . 1 . . . . 82 ILE HD1 . 26975 1 99 . 1 1 87 87 ILE HD13 H 1 0.697 0.0196 . 1 . . . . 82 ILE HD1 . 26975 1 100 . 1 1 87 87 ILE CD1 C 13 13.423 0.133 . 1 . . . . 82 ILE CD1 . 26975 1 101 . 1 1 88 88 ALA HB1 H 1 1.84 0.0196 . 1 . . . . 83 ALA HB . 26975 1 102 . 1 1 88 88 ALA HB2 H 1 1.84 0.0196 . 1 . . . . 83 ALA HB . 26975 1 103 . 1 1 88 88 ALA HB3 H 1 1.84 0.0196 . 1 . . . . 83 ALA HB . 26975 1 104 . 1 1 88 88 ALA CB C 13 18.042 0.133 . 1 . . . . 83 ALA CB . 26975 1 105 . 1 1 89 89 ILE HD11 H 1 1.199 0.0196 . 1 . . . . 84 ILE HD1 . 26975 1 106 . 1 1 89 89 ILE HD12 H 1 1.199 0.0196 . 1 . . . . 84 ILE HD1 . 26975 1 107 . 1 1 89 89 ILE HD13 H 1 1.199 0.0196 . 1 . . . . 84 ILE HD1 . 26975 1 108 . 1 1 89 89 ILE CD1 C 13 14.964 0.133 . 1 . . . . 84 ILE CD1 . 26975 1 109 . 1 1 90 90 ILE HD11 H 1 1.054 0.0196 . 1 . . . . 85 ILE HD1 . 26975 1 110 . 1 1 90 90 ILE HD12 H 1 1.054 0.0196 . 1 . . . . 85 ILE HD1 . 26975 1 111 . 1 1 90 90 ILE HD13 H 1 1.054 0.0196 . 1 . . . . 85 ILE HD1 . 26975 1 112 . 1 1 90 90 ILE CD1 C 13 12.291 0.133 . 1 . . . . 85 ILE CD1 . 26975 1 113 . 1 1 92 92 ALA HB1 H 1 0.396 0.0196 . 1 . . . . 87 ALA HB . 26975 1 114 . 1 1 92 92 ALA HB2 H 1 0.396 0.0196 . 1 . . . . 87 ALA HB . 26975 1 115 . 1 1 92 92 ALA HB3 H 1 0.396 0.0196 . 1 . . . . 87 ALA HB . 26975 1 116 . 1 1 92 92 ALA CB C 13 16.455 0.133 . 1 . . . . 87 ALA CB . 26975 1 117 . 1 1 96 96 LEU HD21 H 1 0.896 0.0196 . 2 . . . . 91 LEU HD2 . 26975 1 118 . 1 1 96 96 LEU HD22 H 1 0.896 0.0196 . 2 . . . . 91 LEU HD2 . 26975 1 119 . 1 1 96 96 LEU HD23 H 1 0.896 0.0196 . 2 . . . . 91 LEU HD2 . 26975 1 120 . 1 1 96 96 LEU CD2 C 13 22.827 0.133 . 2 . . . . 91 LEU CD2 . 26975 1 121 . 1 1 98 98 ILE HD11 H 1 0.726 0.0196 . 1 . . . . 93 ILE HD1 . 26975 1 122 . 1 1 98 98 ILE HD12 H 1 0.726 0.0196 . 1 . . . . 93 ILE HD1 . 26975 1 123 . 1 1 98 98 ILE HD13 H 1 0.726 0.0196 . 1 . . . . 93 ILE HD1 . 26975 1 124 . 1 1 98 98 ILE CD1 C 13 14.233 0.133 . 1 . . . . 93 ILE CD1 . 26975 1 125 . 1 1 103 103 ALA HB1 H 1 1.489 0.0196 . 1 . . . . 98 ALA HB . 26975 1 126 . 1 1 103 103 ALA HB2 H 1 1.489 0.0196 . 1 . . . . 98 ALA HB . 26975 1 127 . 1 1 103 103 ALA HB3 H 1 1.489 0.0196 . 1 . . . . 98 ALA HB . 26975 1 128 . 1 1 103 103 ALA CB C 13 18.023 0.133 . 1 . . . . 98 ALA CB . 26975 1 129 . 1 1 104 104 ALA HB1 H 1 1.395 0.0196 . 1 . . . . 99 ALA HB . 26975 1 130 . 1 1 104 104 ALA HB2 H 1 1.395 0.0196 . 1 . . . . 99 ALA HB . 26975 1 131 . 1 1 104 104 ALA HB3 H 1 1.395 0.0196 . 1 . . . . 99 ALA HB . 26975 1 132 . 1 1 104 104 ALA CB C 13 18.526 0.133 . 1 . . . . 99 ALA CB . 26975 1 133 . 1 1 106 106 ALA HB1 H 1 1.536 0.0196 . 1 . . . . 101 ALA HB . 26975 1 134 . 1 1 106 106 ALA HB2 H 1 1.536 0.0196 . 1 . . . . 101 ALA HB . 26975 1 135 . 1 1 106 106 ALA HB3 H 1 1.536 0.0196 . 1 . . . . 101 ALA HB . 26975 1 136 . 1 1 106 106 ALA CB C 13 17.513 0.133 . 1 . . . . 101 ALA CB . 26975 1 137 . 1 1 109 109 ALA HB1 H 1 1.579 0.0196 . 1 . . . . 104 ALA HB . 26975 1 138 . 1 1 109 109 ALA HB2 H 1 1.579 0.0196 . 1 . . . . 104 ALA HB . 26975 1 139 . 1 1 109 109 ALA HB3 H 1 1.579 0.0196 . 1 . . . . 104 ALA HB . 26975 1 140 . 1 1 109 109 ALA CB C 13 18.267 0.133 . 1 . . . . 104 ALA CB . 26975 1 141 . 1 1 112 112 LEU HD21 H 1 0.557 0.0196 . 2 . . . . 107 LEU HD2 . 26975 1 142 . 1 1 112 112 LEU HD22 H 1 0.557 0.0196 . 2 . . . . 107 LEU HD2 . 26975 1 143 . 1 1 112 112 LEU HD23 H 1 0.557 0.0196 . 2 . . . . 107 LEU HD2 . 26975 1 144 . 1 1 112 112 LEU CD2 C 13 26.885 0.133 . 2 . . . . 107 LEU CD2 . 26975 1 145 . 1 1 114 114 VAL HG21 H 1 1.117 0.0196 . 2 . . . . 109 VAL HG2 . 26975 1 146 . 1 1 114 114 VAL HG22 H 1 1.117 0.0196 . 2 . . . . 109 VAL HG2 . 26975 1 147 . 1 1 114 114 VAL HG23 H 1 1.117 0.0196 . 2 . . . . 109 VAL HG2 . 26975 1 148 . 1 1 114 114 VAL CG2 C 13 21.861 0.133 . 2 . . . . 109 VAL CG2 . 26975 1 149 . 1 1 115 115 LEU HD21 H 1 0.842 0.0196 . 2 . . . . 110 LEU HD2 . 26975 1 150 . 1 1 115 115 LEU HD22 H 1 0.842 0.0196 . 2 . . . . 110 LEU HD2 . 26975 1 151 . 1 1 115 115 LEU HD23 H 1 0.842 0.0196 . 2 . . . . 110 LEU HD2 . 26975 1 152 . 1 1 115 115 LEU CD2 C 13 21.327 0.133 . 2 . . . . 110 LEU CD2 . 26975 1 153 . 1 1 119 119 ALA HB1 H 1 1.414 0.0196 . 1 . . . . 114 ALA HB . 26975 1 154 . 1 1 119 119 ALA HB2 H 1 1.414 0.0196 . 1 . . . . 114 ALA HB . 26975 1 155 . 1 1 119 119 ALA HB3 H 1 1.414 0.0196 . 1 . . . . 114 ALA HB . 26975 1 156 . 1 1 119 119 ALA CB C 13 18.977 0.133 . 1 . . . . 114 ALA CB . 26975 1 157 . 1 1 123 123 VAL HG21 H 1 0.875 0.0196 . 2 . . . . 118 VAL HG2 . 26975 1 158 . 1 1 123 123 VAL HG22 H 1 0.875 0.0196 . 2 . . . . 118 VAL HG2 . 26975 1 159 . 1 1 123 123 VAL HG23 H 1 0.875 0.0196 . 2 . . . . 118 VAL HG2 . 26975 1 160 . 1 1 123 123 VAL CG2 C 13 20.7 0.133 . 2 . . . . 118 VAL CG2 . 26975 1 161 . 1 1 128 128 LEU HD21 H 1 0.898 0.0196 . 2 . . . . 123 LEU HD2 . 26975 1 162 . 1 1 128 128 LEU HD22 H 1 0.898 0.0196 . 2 . . . . 123 LEU HD2 . 26975 1 163 . 1 1 128 128 LEU HD23 H 1 0.898 0.0196 . 2 . . . . 123 LEU HD2 . 26975 1 164 . 1 1 128 128 LEU CD2 C 13 26.382 0.133 . 2 . . . . 123 LEU CD2 . 26975 1 165 . 1 1 129 129 ALA HB1 H 1 1.271 0.0196 . 1 . . . . 124 ALA HB . 26975 1 166 . 1 1 129 129 ALA HB2 H 1 1.271 0.0196 . 1 . . . . 124 ALA HB . 26975 1 167 . 1 1 129 129 ALA HB3 H 1 1.271 0.0196 . 1 . . . . 124 ALA HB . 26975 1 168 . 1 1 129 129 ALA CB C 13 17.656 0.133 . 1 . . . . 124 ALA CB . 26975 1 169 . 1 1 131 131 VAL HG21 H 1 0.983 0.0196 . 2 . . . . 126 VAL HG2 . 26975 1 170 . 1 1 131 131 VAL HG22 H 1 0.983 0.0196 . 2 . . . . 126 VAL HG2 . 26975 1 171 . 1 1 131 131 VAL HG23 H 1 0.983 0.0196 . 2 . . . . 126 VAL HG2 . 26975 1 172 . 1 1 131 131 VAL CG2 C 13 23.154 0.133 . 2 . . . . 126 VAL CG2 . 26975 1 173 . 1 1 132 132 ILE HD11 H 1 0.572 0.0196 . 1 . . . . 127 ILE HD1 . 26975 1 174 . 1 1 132 132 ILE HD12 H 1 0.572 0.0196 . 1 . . . . 127 ILE HD1 . 26975 1 175 . 1 1 132 132 ILE HD13 H 1 0.572 0.0196 . 1 . . . . 127 ILE HD1 . 26975 1 176 . 1 1 132 132 ILE CD1 C 13 13.299 0.133 . 1 . . . . 127 ILE CD1 . 26975 1 177 . 1 1 135 135 LEU HD21 H 1 0.966 0.0196 . 2 . . . . 130 LEU HD2 . 26975 1 178 . 1 1 135 135 LEU HD22 H 1 0.966 0.0196 . 2 . . . . 130 LEU HD2 . 26975 1 179 . 1 1 135 135 LEU HD23 H 1 0.966 0.0196 . 2 . . . . 130 LEU HD2 . 26975 1 180 . 1 1 135 135 LEU CD2 C 13 23.693 0.133 . 2 . . . . 130 LEU CD2 . 26975 1 181 . 1 1 141 141 VAL HG21 H 1 1.4 0.0196 . 2 . . . . 136 VAL HG2 . 26975 1 182 . 1 1 141 141 VAL HG22 H 1 1.4 0.0196 . 2 . . . . 136 VAL HG2 . 26975 1 183 . 1 1 141 141 VAL HG23 H 1 1.4 0.0196 . 2 . . . . 136 VAL HG2 . 26975 1 184 . 1 1 141 141 VAL CG2 C 13 23.244 0.133 . 2 . . . . 136 VAL CG2 . 26975 1 185 . 1 1 143 143 ALA HB1 H 1 1.609 0.0196 . 1 . . . . 138 ALA HB . 26975 1 186 . 1 1 143 143 ALA HB2 H 1 1.609 0.0196 . 1 . . . . 138 ALA HB . 26975 1 187 . 1 1 143 143 ALA HB3 H 1 1.609 0.0196 . 1 . . . . 138 ALA HB . 26975 1 188 . 1 1 143 143 ALA CB C 13 17.198 0.133 . 1 . . . . 138 ALA CB . 26975 1 189 . 1 1 153 153 LEU HD21 H 1 1.282 0.0196 . 2 . . . . 148 LEU HD2 . 26975 1 190 . 1 1 153 153 LEU HD22 H 1 1.282 0.0196 . 2 . . . . 148 LEU HD2 . 26975 1 191 . 1 1 153 153 LEU HD23 H 1 1.282 0.0196 . 2 . . . . 148 LEU HD2 . 26975 1 192 . 1 1 153 153 LEU CD2 C 13 26.808 0.133 . 2 . . . . 148 LEU CD2 . 26975 1 193 . 1 1 157 157 ALA HB1 H 1 1.66 0.0196 . 1 . . . . 152 ALA HB . 26975 1 194 . 1 1 157 157 ALA HB2 H 1 1.66 0.0196 . 1 . . . . 152 ALA HB . 26975 1 195 . 1 1 157 157 ALA HB3 H 1 1.66 0.0196 . 1 . . . . 152 ALA HB . 26975 1 196 . 1 1 157 157 ALA CB C 13 18.571 0.133 . 1 . . . . 152 ALA CB . 26975 1 197 . 1 1 161 161 LEU HD21 H 1 0.347 0.0196 . 2 . . . . 156 LEU HD2 . 26975 1 198 . 1 1 161 161 LEU HD22 H 1 0.347 0.0196 . 2 . . . . 156 LEU HD2 . 26975 1 199 . 1 1 161 161 LEU HD23 H 1 0.347 0.0196 . 2 . . . . 156 LEU HD2 . 26975 1 200 . 1 1 161 161 LEU CD2 C 13 24.12 0.133 . 2 . . . . 156 LEU CD2 . 26975 1 201 . 1 1 164 164 LEU HD21 H 1 0.787 0.0196 . 2 . . . . 159 LEU HD2 . 26975 1 202 . 1 1 164 164 LEU HD22 H 1 0.787 0.0196 . 2 . . . . 159 LEU HD2 . 26975 1 203 . 1 1 164 164 LEU HD23 H 1 0.787 0.0196 . 2 . . . . 159 LEU HD2 . 26975 1 204 . 1 1 164 164 LEU CD2 C 13 25.187 0.133 . 2 . . . . 159 LEU CD2 . 26975 1 205 . 1 1 167 167 ILE HD11 H 1 0.697 0.0196 . 1 . . . . 162 ILE HD1 . 26975 1 206 . 1 1 167 167 ILE HD12 H 1 0.697 0.0196 . 1 . . . . 162 ILE HD1 . 26975 1 207 . 1 1 167 167 ILE HD13 H 1 0.697 0.0196 . 1 . . . . 162 ILE HD1 . 26975 1 208 . 1 1 167 167 ILE CD1 C 13 14.36 0.133 . 1 . . . . 162 ILE CD1 . 26975 1 209 . 1 1 173 173 ILE HD11 H 1 0.799 0.0196 . 1 . . . . 168 ILE HD1 . 26975 1 210 . 1 1 173 173 ILE HD12 H 1 0.799 0.0196 . 1 . . . . 168 ILE HD1 . 26975 1 211 . 1 1 173 173 ILE HD13 H 1 0.799 0.0196 . 1 . . . . 168 ILE HD1 . 26975 1 212 . 1 1 173 173 ILE CD1 C 13 13.1 0.133 . 1 . . . . 168 ILE CD1 . 26975 1 213 . 1 1 179 179 VAL HG21 H 1 0.409 0.0196 . 2 . . . . 174 VAL HG2 . 26975 1 214 . 1 1 179 179 VAL HG22 H 1 0.409 0.0196 . 2 . . . . 174 VAL HG2 . 26975 1 215 . 1 1 179 179 VAL HG23 H 1 0.409 0.0196 . 2 . . . . 174 VAL HG2 . 26975 1 216 . 1 1 179 179 VAL CG2 C 13 22.172 0.133 . 2 . . . . 174 VAL CG2 . 26975 1 217 . 1 1 180 180 LEU HD21 H 1 0.605 0.0196 . 2 . . . . 175 LEU HD2 . 26975 1 218 . 1 1 180 180 LEU HD22 H 1 0.605 0.0196 . 2 . . . . 175 LEU HD2 . 26975 1 219 . 1 1 180 180 LEU HD23 H 1 0.605 0.0196 . 2 . . . . 175 LEU HD2 . 26975 1 220 . 1 1 180 180 LEU CD2 C 13 24.313 0.133 . 2 . . . . 175 LEU CD2 . 26975 1 221 . 1 1 184 184 VAL HG21 H 1 0.979 0.0196 . 2 . . . . 179 VAL HG2 . 26975 1 222 . 1 1 184 184 VAL HG22 H 1 0.979 0.0196 . 2 . . . . 179 VAL HG2 . 26975 1 223 . 1 1 184 184 VAL HG23 H 1 0.979 0.0196 . 2 . . . . 179 VAL HG2 . 26975 1 224 . 1 1 184 184 VAL CG2 C 13 21.71 0.133 . 2 . . . . 179 VAL CG2 . 26975 1 225 . 1 1 189 189 ILE HD11 H 1 0.805 0.0196 . 1 . . . . 184 ILE HD1 . 26975 1 226 . 1 1 189 189 ILE HD12 H 1 0.805 0.0196 . 1 . . . . 184 ILE HD1 . 26975 1 227 . 1 1 189 189 ILE HD13 H 1 0.805 0.0196 . 1 . . . . 184 ILE HD1 . 26975 1 228 . 1 1 189 189 ILE CD1 C 13 13.563 0.133 . 1 . . . . 184 ILE CD1 . 26975 1 229 . 1 1 199 199 LEU HD21 H 1 0.67 0.0196 . 2 . . . . 194 LEU HD2 . 26975 1 230 . 1 1 199 199 LEU HD22 H 1 0.67 0.0196 . 2 . . . . 194 LEU HD2 . 26975 1 231 . 1 1 199 199 LEU HD23 H 1 0.67 0.0196 . 2 . . . . 194 LEU HD2 . 26975 1 232 . 1 1 199 199 LEU CD2 C 13 23.289 0.133 . 2 . . . . 194 LEU CD2 . 26975 1 233 . 1 1 206 206 VAL HG21 H 1 0.854 0.0196 . 2 . . . . 201 VAL HG2 . 26975 1 234 . 1 1 206 206 VAL HG22 H 1 0.854 0.0196 . 2 . . . . 201 VAL HG2 . 26975 1 235 . 1 1 206 206 VAL HG23 H 1 0.854 0.0196 . 2 . . . . 201 VAL HG2 . 26975 1 236 . 1 1 206 206 VAL CG2 C 13 21.028 0.133 . 2 . . . . 201 VAL CG2 . 26975 1 237 . 1 1 217 217 ILE HD11 H 1 0.697 0.0196 . 1 . . . . 212 ILE HD1 . 26975 1 238 . 1 1 217 217 ILE HD12 H 1 0.697 0.0196 . 1 . . . . 212 ILE HD1 . 26975 1 239 . 1 1 217 217 ILE HD13 H 1 0.697 0.0196 . 1 . . . . 212 ILE HD1 . 26975 1 240 . 1 1 217 217 ILE CD1 C 13 13.423 0.133 . 1 . . . . 212 ILE CD1 . 26975 1 241 . 1 1 225 225 ALA HB1 H 1 1.146 0.0196 . 1 . . . . 220 ALA HB . 26975 1 242 . 1 1 225 225 ALA HB2 H 1 1.146 0.0196 . 1 . . . . 220 ALA HB . 26975 1 243 . 1 1 225 225 ALA HB3 H 1 1.146 0.0196 . 1 . . . . 220 ALA HB . 26975 1 244 . 1 1 225 225 ALA CB C 13 21.79 0.133 . 1 . . . . 220 ALA CB . 26975 1 245 . 1 1 226 226 ILE HD11 H 1 -0.241 0.0196 . 1 . . . . 221 ILE HD1 . 26975 1 246 . 1 1 226 226 ILE HD12 H 1 -0.241 0.0196 . 1 . . . . 221 ILE HD1 . 26975 1 247 . 1 1 226 226 ILE HD13 H 1 -0.241 0.0196 . 1 . . . . 221 ILE HD1 . 26975 1 248 . 1 1 226 226 ILE CD1 C 13 12.188 0.133 . 1 . . . . 221 ILE CD1 . 26975 1 249 . 1 1 227 227 ILE HD11 H 1 0.584 0.0196 . 1 . . . . 222 ILE HD1 . 26975 1 250 . 1 1 227 227 ILE HD12 H 1 0.584 0.0196 . 1 . . . . 222 ILE HD1 . 26975 1 251 . 1 1 227 227 ILE HD13 H 1 0.584 0.0196 . 1 . . . . 222 ILE HD1 . 26975 1 252 . 1 1 227 227 ILE CD1 C 13 13.688 0.133 . 1 . . . . 222 ILE CD1 . 26975 1 253 . 1 1 230 230 VAL HG21 H 1 0.554 0.0196 . 2 . . . . 225 VAL HG2 . 26975 1 254 . 1 1 230 230 VAL HG22 H 1 0.554 0.0196 . 2 . . . . 225 VAL HG2 . 26975 1 255 . 1 1 230 230 VAL HG23 H 1 0.554 0.0196 . 2 . . . . 225 VAL HG2 . 26975 1 256 . 1 1 230 230 VAL CG2 C 13 21.894 0.133 . 2 . . . . 225 VAL CG2 . 26975 1 257 . 1 1 231 231 ALA HB1 H 1 1.271 0.0196 . 1 . . . . 226 ALA HB . 26975 1 258 . 1 1 231 231 ALA HB2 H 1 1.271 0.0196 . 1 . . . . 226 ALA HB . 26975 1 259 . 1 1 231 231 ALA HB3 H 1 1.271 0.0196 . 1 . . . . 226 ALA HB . 26975 1 260 . 1 1 231 231 ALA CB C 13 18.426 0.133 . 1 . . . . 226 ALA CB . 26975 1 261 . 1 1 232 232 LEU HD21 H 1 0.455 0.0196 . 2 . . . . 227 LEU HD2 . 26975 1 262 . 1 1 232 232 LEU HD22 H 1 0.455 0.0196 . 2 . . . . 227 LEU HD2 . 26975 1 263 . 1 1 232 232 LEU HD23 H 1 0.455 0.0196 . 2 . . . . 227 LEU HD2 . 26975 1 264 . 1 1 232 232 LEU CD2 C 13 23.969 0.133 . 2 . . . . 227 LEU CD2 . 26975 1 265 . 1 1 237 237 LEU HD21 H 1 0.808 0.0196 . 2 . . . . 232 LEU HD2 . 26975 1 266 . 1 1 237 237 LEU HD22 H 1 0.808 0.0196 . 2 . . . . 232 LEU HD2 . 26975 1 267 . 1 1 237 237 LEU HD23 H 1 0.808 0.0196 . 2 . . . . 232 LEU HD2 . 26975 1 268 . 1 1 237 237 LEU CD2 C 13 22.172 0.133 . 2 . . . . 232 LEU CD2 . 26975 1 269 . 1 1 238 238 VAL HG21 H 1 0.833 0.0196 . 2 . . . . 233 VAL HG2 . 26975 1 270 . 1 1 238 238 VAL HG22 H 1 0.833 0.0196 . 2 . . . . 233 VAL HG2 . 26975 1 271 . 1 1 238 238 VAL HG23 H 1 0.833 0.0196 . 2 . . . . 233 VAL HG2 . 26975 1 272 . 1 1 238 238 VAL CG2 C 13 19.043 0.133 . 2 . . . . 233 VAL CG2 . 26975 1 273 . 1 1 239 239 LEU HD21 H 1 0.888 0.0196 . 2 . . . . 234 LEU HD2 . 26975 1 274 . 1 1 239 239 LEU HD22 H 1 0.888 0.0196 . 2 . . . . 234 LEU HD2 . 26975 1 275 . 1 1 239 239 LEU HD23 H 1 0.888 0.0196 . 2 . . . . 234 LEU HD2 . 26975 1 276 . 1 1 239 239 LEU CD2 C 13 23.876 0.133 . 2 . . . . 234 LEU CD2 . 26975 1 277 . 1 1 240 240 ALA HB1 H 1 1.381 0.0196 . 1 . . . . 235 ALA HB . 26975 1 278 . 1 1 240 240 ALA HB2 H 1 1.381 0.0196 . 1 . . . . 235 ALA HB . 26975 1 279 . 1 1 240 240 ALA HB3 H 1 1.381 0.0196 . 1 . . . . 235 ALA HB . 26975 1 280 . 1 1 240 240 ALA CB C 13 18.701 0.133 . 1 . . . . 235 ALA CB . 26975 1 281 . 1 1 254 254 LEU HD21 H 1 1.084 0.0196 . 2 . . . . 249 LEU HD2 . 26975 1 282 . 1 1 254 254 LEU HD22 H 1 1.084 0.0196 . 2 . . . . 249 LEU HD2 . 26975 1 283 . 1 1 254 254 LEU HD23 H 1 1.084 0.0196 . 2 . . . . 249 LEU HD2 . 26975 1 284 . 1 1 254 254 LEU CD2 C 13 24.263 0.133 . 2 . . . . 249 LEU CD2 . 26975 1 285 . 1 1 258 258 ILE HD11 H 1 0.945 0.0196 . 1 . . . . 253 ILE HD1 . 26975 1 286 . 1 1 258 258 ILE HD12 H 1 0.945 0.0196 . 1 . . . . 253 ILE HD1 . 26975 1 287 . 1 1 258 258 ILE HD13 H 1 0.945 0.0196 . 1 . . . . 253 ILE HD1 . 26975 1 288 . 1 1 258 258 ILE CD1 C 13 11.849 0.133 . 1 . . . . 253 ILE CD1 . 26975 1 289 . 1 1 269 269 ILE HD11 H 1 0.663 0.0196 . 1 . . . . 264 ILE HD1 . 26975 1 290 . 1 1 269 269 ILE HD12 H 1 0.663 0.0196 . 1 . . . . 264 ILE HD1 . 26975 1 291 . 1 1 269 269 ILE HD13 H 1 0.663 0.0196 . 1 . . . . 264 ILE HD1 . 26975 1 292 . 1 1 269 269 ILE CD1 C 13 11.93 0.133 . 1 . . . . 264 ILE CD1 . 26975 1 293 . 1 1 270 270 ILE HD11 H 1 0.734 0.0196 . 1 . . . . 265 ILE HD1 . 26975 1 294 . 1 1 270 270 ILE HD12 H 1 0.734 0.0196 . 1 . . . . 265 ILE HD1 . 26975 1 295 . 1 1 270 270 ILE HD13 H 1 0.734 0.0196 . 1 . . . . 265 ILE HD1 . 26975 1 296 . 1 1 270 270 ILE CD1 C 13 14.33 0.133 . 1 . . . . 265 ILE CD1 . 26975 1 297 . 1 1 271 271 LEU HD21 H 1 0.329 0.0196 . 2 . . . . 266 LEU HD2 . 26975 1 298 . 1 1 271 271 LEU HD22 H 1 0.329 0.0196 . 2 . . . . 266 LEU HD2 . 26975 1 299 . 1 1 271 271 LEU HD23 H 1 0.329 0.0196 . 2 . . . . 266 LEU HD2 . 26975 1 300 . 1 1 271 271 LEU CD2 C 13 25.215 0.133 . 2 . . . . 266 LEU CD2 . 26975 1 301 . 1 1 273 273 LEU HD21 H 1 0.143 0.0196 . 2 . . . . 268 LEU HD2 . 26975 1 302 . 1 1 273 273 LEU HD22 H 1 0.143 0.0196 . 2 . . . . 268 LEU HD2 . 26975 1 303 . 1 1 273 273 LEU HD23 H 1 0.143 0.0196 . 2 . . . . 268 LEU HD2 . 26975 1 304 . 1 1 273 273 LEU CD2 C 13 22.287 0.133 . 2 . . . . 268 LEU CD2 . 26975 1 305 . 1 1 278 278 LEU HD21 H 1 0.912 0.0196 . 2 . . . . 273 LEU HD2 . 26975 1 306 . 1 1 278 278 LEU HD22 H 1 0.912 0.0196 . 2 . . . . 273 LEU HD2 . 26975 1 307 . 1 1 278 278 LEU HD23 H 1 0.912 0.0196 . 2 . . . . 273 LEU HD2 . 26975 1 308 . 1 1 278 278 LEU CD2 C 13 21.634 0.133 . 2 . . . . 273 LEU CD2 . 26975 1 309 . 1 1 283 283 ILE HD11 H 1 0.637 0.0196 . 1 . . . . 278 ILE HD1 . 26975 1 310 . 1 1 283 283 ILE HD12 H 1 0.637 0.0196 . 1 . . . . 278 ILE HD1 . 26975 1 311 . 1 1 283 283 ILE HD13 H 1 0.637 0.0196 . 1 . . . . 278 ILE HD1 . 26975 1 312 . 1 1 283 283 ILE CD1 C 13 13.858 0.133 . 1 . . . . 278 ILE CD1 . 26975 1 313 . 1 1 288 288 LEU HD21 H 1 0.069 0.0196 . 2 . . . . 283 LEU HD2 . 26975 1 314 . 1 1 288 288 LEU HD22 H 1 0.069 0.0196 . 2 . . . . 283 LEU HD2 . 26975 1 315 . 1 1 288 288 LEU HD23 H 1 0.069 0.0196 . 2 . . . . 283 LEU HD2 . 26975 1 316 . 1 1 288 288 LEU CD2 C 13 24.029 0.133 . 2 . . . . 283 LEU CD2 . 26975 1 317 . 1 1 290 290 ILE HD11 H 1 0.975 0.0196 . 1 . . . . 285 ILE HD1 . 26975 1 318 . 1 1 290 290 ILE HD12 H 1 0.975 0.0196 . 1 . . . . 285 ILE HD1 . 26975 1 319 . 1 1 290 290 ILE HD13 H 1 0.975 0.0196 . 1 . . . . 285 ILE HD1 . 26975 1 320 . 1 1 290 290 ILE CD1 C 13 13.685 0.133 . 1 . . . . 285 ILE CD1 . 26975 1 321 . 1 1 304 304 ALA HB1 H 1 1.566 0.0196 . 1 . . . . 299 ALA HB . 26975 1 322 . 1 1 304 304 ALA HB2 H 1 1.566 0.0196 . 1 . . . . 299 ALA HB . 26975 1 323 . 1 1 304 304 ALA HB3 H 1 1.566 0.0196 . 1 . . . . 299 ALA HB . 26975 1 324 . 1 1 304 304 ALA CB C 13 19.844 0.133 . 1 . . . . 299 ALA CB . 26975 1 325 . 1 1 305 305 ALA HB1 H 1 0.867 0.0196 . 1 . . . . 300 ALA HB . 26975 1 326 . 1 1 305 305 ALA HB2 H 1 0.867 0.0196 . 1 . . . . 300 ALA HB . 26975 1 327 . 1 1 305 305 ALA HB3 H 1 0.867 0.0196 . 1 . . . . 300 ALA HB . 26975 1 328 . 1 1 305 305 ALA CB C 13 17.179 0.133 . 1 . . . . 300 ALA CB . 26975 1 329 . 1 1 306 306 ALA HB1 H 1 1.564 0.0196 . 1 . . . . 301 ALA HB . 26975 1 330 . 1 1 306 306 ALA HB2 H 1 1.564 0.0196 . 1 . . . . 301 ALA HB . 26975 1 331 . 1 1 306 306 ALA HB3 H 1 1.564 0.0196 . 1 . . . . 301 ALA HB . 26975 1 332 . 1 1 306 306 ALA CB C 13 18.005 0.133 . 1 . . . . 301 ALA CB . 26975 1 333 . 1 1 308 308 ILE HD11 H 1 0.778 0.0196 . 1 . . . . 303 ILE HD1 . 26975 1 334 . 1 1 308 308 ILE HD12 H 1 0.778 0.0196 . 1 . . . . 303 ILE HD1 . 26975 1 335 . 1 1 308 308 ILE HD13 H 1 0.778 0.0196 . 1 . . . . 303 ILE HD1 . 26975 1 336 . 1 1 308 308 ILE CD1 C 13 15.018 0.133 . 1 . . . . 303 ILE CD1 . 26975 1 337 . 1 1 315 315 LEU HD21 H 1 0.777 0.0196 . 2 . . . . 310 LEU HD2 . 26975 1 338 . 1 1 315 315 LEU HD22 H 1 0.777 0.0196 . 2 . . . . 310 LEU HD2 . 26975 1 339 . 1 1 315 315 LEU HD23 H 1 0.777 0.0196 . 2 . . . . 310 LEU HD2 . 26975 1 340 . 1 1 315 315 LEU CD2 C 13 21.966 0.133 . 2 . . . . 310 LEU CD2 . 26975 1 341 . 1 1 324 324 ILE HD11 H 1 0.921 0.0196 . 1 . . . . 319 ILE HD1 . 26975 1 342 . 1 1 324 324 ILE HD12 H 1 0.921 0.0196 . 1 . . . . 319 ILE HD1 . 26975 1 343 . 1 1 324 324 ILE HD13 H 1 0.921 0.0196 . 1 . . . . 319 ILE HD1 . 26975 1 344 . 1 1 324 324 ILE CD1 C 13 12.989 0.133 . 1 . . . . 319 ILE CD1 . 26975 1 345 . 1 1 331 331 ALA HB1 H 1 1.717 0.0196 . 1 . . . . 326 ALA HB . 26975 1 346 . 1 1 331 331 ALA HB2 H 1 1.717 0.0196 . 1 . . . . 326 ALA HB . 26975 1 347 . 1 1 331 331 ALA HB3 H 1 1.717 0.0196 . 1 . . . . 326 ALA HB . 26975 1 348 . 1 1 331 331 ALA CB C 13 17.864 0.133 . 1 . . . . 326 ALA CB . 26975 1 349 . 1 1 337 337 VAL HG21 H 1 0.98 0.0196 . 2 . . . . 332 VAL HG2 . 26975 1 350 . 1 1 337 337 VAL HG22 H 1 0.98 0.0196 . 2 . . . . 332 VAL HG2 . 26975 1 351 . 1 1 337 337 VAL HG23 H 1 0.98 0.0196 . 2 . . . . 332 VAL HG2 . 26975 1 352 . 1 1 337 337 VAL CG2 C 13 24.721 0.133 . 2 . . . . 332 VAL CG2 . 26975 1 353 . 1 1 340 340 VAL HG21 H 1 0.865 0.0196 . 2 . . . . 335 VAL HG2 . 26975 1 354 . 1 1 340 340 VAL HG22 H 1 0.865 0.0196 . 2 . . . . 335 VAL HG2 . 26975 1 355 . 1 1 340 340 VAL HG23 H 1 0.865 0.0196 . 2 . . . . 335 VAL HG2 . 26975 1 356 . 1 1 340 340 VAL CG2 C 13 22.29 0.133 . 2 . . . . 335 VAL CG2 . 26975 1 357 . 1 1 343 343 ALA HB1 H 1 1.422 0.0196 . 1 . . . . 338 ALA HB . 26975 1 358 . 1 1 343 343 ALA HB2 H 1 1.422 0.0196 . 1 . . . . 338 ALA HB . 26975 1 359 . 1 1 343 343 ALA HB3 H 1 1.422 0.0196 . 1 . . . . 338 ALA HB . 26975 1 360 . 1 1 343 343 ALA CB C 13 17.597 0.133 . 1 . . . . 338 ALA CB . 26975 1 361 . 1 1 344 344 VAL HG21 H 1 0.887 0.0196 . 2 . . . . 339 VAL HG2 . 26975 1 362 . 1 1 344 344 VAL HG22 H 1 0.887 0.0196 . 2 . . . . 339 VAL HG2 . 26975 1 363 . 1 1 344 344 VAL HG23 H 1 0.887 0.0196 . 2 . . . . 339 VAL HG2 . 26975 1 364 . 1 1 344 344 VAL CG2 C 13 23.139 0.133 . 2 . . . . 339 VAL CG2 . 26975 1 365 . 1 1 347 347 VAL HG21 H 1 0.649 0.0196 . 2 . . . . 342 VAL HG2 . 26975 1 366 . 1 1 347 347 VAL HG22 H 1 0.649 0.0196 . 2 . . . . 342 VAL HG2 . 26975 1 367 . 1 1 347 347 VAL HG23 H 1 0.649 0.0196 . 2 . . . . 342 VAL HG2 . 26975 1 368 . 1 1 347 347 VAL CG2 C 13 22.43 0.133 . 2 . . . . 342 VAL CG2 . 26975 1 369 . 1 1 348 348 ILE HD11 H 1 0.697 0.0196 . 1 . . . . 343 ILE HD1 . 26975 1 370 . 1 1 348 348 ILE HD12 H 1 0.697 0.0196 . 1 . . . . 343 ILE HD1 . 26975 1 371 . 1 1 348 348 ILE HD13 H 1 0.697 0.0196 . 1 . . . . 343 ILE HD1 . 26975 1 372 . 1 1 348 348 ILE CD1 C 13 14.36 0.133 . 1 . . . . 343 ILE CD1 . 26975 1 373 . 1 1 349 349 ILE HD11 H 1 0.884 0.0196 . 1 . . . . 344 ILE HD1 . 26975 1 374 . 1 1 349 349 ILE HD12 H 1 0.884 0.0196 . 1 . . . . 344 ILE HD1 . 26975 1 375 . 1 1 349 349 ILE HD13 H 1 0.884 0.0196 . 1 . . . . 344 ILE HD1 . 26975 1 376 . 1 1 349 349 ILE CD1 C 13 13.95 0.133 . 1 . . . . 344 ILE CD1 . 26975 1 377 . 1 1 353 353 LEU HD21 H 1 0.831 0.0196 . 2 . . . . 348 LEU HD2 . 26975 1 378 . 1 1 353 353 LEU HD22 H 1 0.831 0.0196 . 2 . . . . 348 LEU HD2 . 26975 1 379 . 1 1 353 353 LEU HD23 H 1 0.831 0.0196 . 2 . . . . 348 LEU HD2 . 26975 1 380 . 1 1 353 353 LEU CD2 C 13 23.092 0.133 . 2 . . . . 348 LEU CD2 . 26975 1 381 . 1 1 358 358 LEU HD21 H 1 0.791 0.0196 . 2 . . . . 353 LEU HD2 . 26975 1 382 . 1 1 358 358 LEU HD22 H 1 0.791 0.0196 . 2 . . . . 353 LEU HD2 . 26975 1 383 . 1 1 358 358 LEU HD23 H 1 0.791 0.0196 . 2 . . . . 353 LEU HD2 . 26975 1 384 . 1 1 358 358 LEU CD2 C 13 23.105 0.133 . 2 . . . . 353 LEU CD2 . 26975 1 stop_ save_