data_51907 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51907 _Entry.Title ; Backbone resonance assignment of a stabilized neurotensin receptor bound to neurotensin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-04-14 _Entry.Accession_date 2023-04-14 _Entry.Last_release_date 2023-04-14 _Entry.Original_release_date 2023-04-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Mariam Mohamadi . . . . 51907 2 Franz Hagn . . . . 51907 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51907 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 337 51907 '15N chemical shifts' 108 51907 '1H chemical shifts' 108 51907 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-07-05 2023-04-14 update BMRB 'update entry citation' 51907 1 . . 2023-05-07 2023-04-14 original author 'original release' 51907 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51907 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37142193 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR sample optimization and backbone assignment of a stabilized neurotensin receptor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Struc. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 215 _Citation.Journal_issue 2 _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 107970 _Citation.Page_last 107970 _Citation.Year 2023 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Mariam Mohamadi . . . . 51907 1 2 David Goricanec . . . . 51907 1 3 Gerhard Wagner . . . . 51907 1 4 Franz Hagn . . . . 51907 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51907 _Assembly.ID 1 _Assembly.Name 'NTR1 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 NTR1 1 $entity_1 . . yes native no no . . . 51907 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 93 93 SG . 1 . 1 CYS 176 176 SG . . . 142 CYS SG . . . 225 CYS SG 51907 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51907 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPNSDLDVNTDIYSKVLVTA IYLALFVVGTVGNGVTLFTL ARKKSLQSLQSRVDYYLGSL ALSDLLILLFALPVDLYNFI WVHHPWAFGDAGCKGYYFLR EACTYATALNVVSLSVELYL AICHPFKAKTLMSRSRTKKF ISAIWLASALLAIPMLFTMG LQNLSGDGTHPGGLVCTPIV DTATLRVVIQLNTFMSFLFP MLVASILNTVAARRLTVMVH QAAEQGRVCTVGTHNGLEHS TFNMTIEPGRVQALRRGVLV LRAVVIAFVVCWLPYHVRRL MFVYISDEQWTTALFDFYHY FYMLSNALVYVSAAINPILY NLVSANFRQVFLSTLACLCP GTRELEVLFQ ; _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 350 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 PDB 4bwb . 'NEUROTENSIN RECEPTOR TYPE 1' . . . . . . . . . . . . . . 51907 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 50 GLY . 51907 1 2 51 PRO . 51907 1 3 52 ASN . 51907 1 4 53 SER . 51907 1 5 54 ASP . 51907 1 6 55 LEU . 51907 1 7 56 ASP . 51907 1 8 57 VAL . 51907 1 9 58 ASN . 51907 1 10 59 THR . 51907 1 11 60 ASP . 51907 1 12 61 ILE . 51907 1 13 62 TYR . 51907 1 14 63 SER . 51907 1 15 64 LYS . 51907 1 16 65 VAL . 51907 1 17 66 LEU . 51907 1 18 67 VAL . 51907 1 19 68 THR . 51907 1 20 69 ALA . 51907 1 21 70 ILE . 51907 1 22 71 TYR . 51907 1 23 72 LEU . 51907 1 24 73 ALA . 51907 1 25 74 LEU . 51907 1 26 75 PHE . 51907 1 27 76 VAL . 51907 1 28 77 VAL . 51907 1 29 78 GLY . 51907 1 30 79 THR . 51907 1 31 80 VAL . 51907 1 32 81 GLY . 51907 1 33 82 ASN . 51907 1 34 83 GLY . 51907 1 35 84 VAL . 51907 1 36 85 THR . 51907 1 37 86 LEU . 51907 1 38 87 PHE . 51907 1 39 88 THR . 51907 1 40 89 LEU . 51907 1 41 90 ALA . 51907 1 42 91 ARG . 51907 1 43 92 LYS . 51907 1 44 93 LYS . 51907 1 45 94 SER . 51907 1 46 95 LEU . 51907 1 47 96 GLN . 51907 1 48 97 SER . 51907 1 49 98 LEU . 51907 1 50 99 GLN . 51907 1 51 100 SER . 51907 1 52 101 ARG . 51907 1 53 102 VAL . 51907 1 54 103 ASP . 51907 1 55 104 TYR . 51907 1 56 105 TYR . 51907 1 57 106 LEU . 51907 1 58 107 GLY . 51907 1 59 108 SER . 51907 1 60 109 LEU . 51907 1 61 110 ALA . 51907 1 62 111 LEU . 51907 1 63 112 SER . 51907 1 64 113 ASP . 51907 1 65 114 LEU . 51907 1 66 115 LEU . 51907 1 67 116 ILE . 51907 1 68 117 LEU . 51907 1 69 118 LEU . 51907 1 70 119 PHE . 51907 1 71 120 ALA . 51907 1 72 121 LEU . 51907 1 73 122 PRO . 51907 1 74 123 VAL . 51907 1 75 124 ASP . 51907 1 76 125 LEU . 51907 1 77 126 TYR . 51907 1 78 127 ASN . 51907 1 79 128 PHE . 51907 1 80 129 ILE . 51907 1 81 130 TRP . 51907 1 82 131 VAL . 51907 1 83 132 HIS . 51907 1 84 133 HIS . 51907 1 85 134 PRO . 51907 1 86 135 TRP . 51907 1 87 136 ALA . 51907 1 88 137 PHE . 51907 1 89 138 GLY . 51907 1 90 139 ASP . 51907 1 91 140 ALA . 51907 1 92 141 GLY . 51907 1 93 142 CYS . 51907 1 94 143 LYS . 51907 1 95 144 GLY . 51907 1 96 145 TYR . 51907 1 97 146 TYR . 51907 1 98 147 PHE . 51907 1 99 148 LEU . 51907 1 100 149 ARG . 51907 1 101 150 GLU . 51907 1 102 151 ALA . 51907 1 103 152 CYS . 51907 1 104 153 THR . 51907 1 105 154 TYR . 51907 1 106 155 ALA . 51907 1 107 156 THR . 51907 1 108 157 ALA . 51907 1 109 158 LEU . 51907 1 110 159 ASN . 51907 1 111 160 VAL . 51907 1 112 161 VAL . 51907 1 113 162 SER . 51907 1 114 163 LEU . 51907 1 115 164 SER . 51907 1 116 165 VAL . 51907 1 117 166 GLU . 51907 1 118 167 LEU . 51907 1 119 168 TYR . 51907 1 120 169 LEU . 51907 1 121 170 ALA . 51907 1 122 171 ILE . 51907 1 123 172 CYS . 51907 1 124 173 HIS . 51907 1 125 174 PRO . 51907 1 126 175 PHE . 51907 1 127 176 LYS . 51907 1 128 177 ALA . 51907 1 129 178 LYS . 51907 1 130 179 THR . 51907 1 131 180 LEU . 51907 1 132 181 MET . 51907 1 133 182 SER . 51907 1 134 183 ARG . 51907 1 135 184 SER . 51907 1 136 185 ARG . 51907 1 137 186 THR . 51907 1 138 187 LYS . 51907 1 139 188 LYS . 51907 1 140 189 PHE . 51907 1 141 190 ILE . 51907 1 142 191 SER . 51907 1 143 192 ALA . 51907 1 144 193 ILE . 51907 1 145 194 TRP . 51907 1 146 195 LEU . 51907 1 147 196 ALA . 51907 1 148 197 SER . 51907 1 149 198 ALA . 51907 1 150 199 LEU . 51907 1 151 200 LEU . 51907 1 152 201 ALA . 51907 1 153 202 ILE . 51907 1 154 203 PRO . 51907 1 155 204 MET . 51907 1 156 205 LEU . 51907 1 157 206 PHE . 51907 1 158 207 THR . 51907 1 159 208 MET . 51907 1 160 209 GLY . 51907 1 161 210 LEU . 51907 1 162 211 GLN . 51907 1 163 212 ASN . 51907 1 164 213 LEU . 51907 1 165 214 SER . 51907 1 166 215 GLY . 51907 1 167 216 ASP . 51907 1 168 217 GLY . 51907 1 169 218 THR . 51907 1 170 219 HIS . 51907 1 171 220 PRO . 51907 1 172 221 GLY . 51907 1 173 222 GLY . 51907 1 174 223 LEU . 51907 1 175 224 VAL . 51907 1 176 225 CYS . 51907 1 177 226 THR . 51907 1 178 227 PRO . 51907 1 179 228 ILE . 51907 1 180 229 VAL . 51907 1 181 230 ASP . 51907 1 182 231 THR . 51907 1 183 232 ALA . 51907 1 184 233 THR . 51907 1 185 234 LEU . 51907 1 186 235 ARG . 51907 1 187 236 VAL . 51907 1 188 237 VAL . 51907 1 189 238 ILE . 51907 1 190 239 GLN . 51907 1 191 240 LEU . 51907 1 192 241 ASN . 51907 1 193 242 THR . 51907 1 194 243 PHE . 51907 1 195 244 MET . 51907 1 196 245 SER . 51907 1 197 246 PHE . 51907 1 198 247 LEU . 51907 1 199 248 PHE . 51907 1 200 249 PRO . 51907 1 201 250 MET . 51907 1 202 251 LEU . 51907 1 203 252 VAL . 51907 1 204 253 ALA . 51907 1 205 254 SER . 51907 1 206 255 ILE . 51907 1 207 256 LEU . 51907 1 208 257 ASN . 51907 1 209 258 THR . 51907 1 210 259 VAL . 51907 1 211 260 ALA . 51907 1 212 261 ALA . 51907 1 213 262 ARG . 51907 1 214 263 ARG . 51907 1 215 264 LEU . 51907 1 216 265 THR . 51907 1 217 266 VAL . 51907 1 218 267 MET . 51907 1 219 268 VAL . 51907 1 220 269 HIS . 51907 1 221 270 GLN . 51907 1 222 271 ALA . 51907 1 223 272 ALA . 51907 1 224 273 GLU . 51907 1 225 274 GLN . 51907 1 226 275 GLY . 51907 1 227 276 ARG . 51907 1 228 277 VAL . 51907 1 229 278 CYS . 51907 1 230 279 THR . 51907 1 231 280 VAL . 51907 1 232 281 GLY . 51907 1 233 282 THR . 51907 1 234 283 HIS . 51907 1 235 284 ASN . 51907 1 236 285 GLY . 51907 1 237 286 LEU . 51907 1 238 287 GLU . 51907 1 239 288 HIS . 51907 1 240 289 SER . 51907 1 241 290 THR . 51907 1 242 291 PHE . 51907 1 243 292 ASN . 51907 1 244 293 MET . 51907 1 245 294 THR . 51907 1 246 295 ILE . 51907 1 247 296 GLU . 51907 1 248 297 PRO . 51907 1 249 298 GLY . 51907 1 250 299 ARG . 51907 1 251 300 VAL . 51907 1 252 301 GLN . 51907 1 253 302 ALA . 51907 1 254 303 LEU . 51907 1 255 304 ARG . 51907 1 256 305 ARG . 51907 1 257 306 GLY . 51907 1 258 307 VAL . 51907 1 259 308 LEU . 51907 1 260 309 VAL . 51907 1 261 310 LEU . 51907 1 262 311 ARG . 51907 1 263 312 ALA . 51907 1 264 313 VAL . 51907 1 265 314 VAL . 51907 1 266 315 ILE . 51907 1 267 316 ALA . 51907 1 268 317 PHE . 51907 1 269 318 VAL . 51907 1 270 319 VAL . 51907 1 271 320 CYS . 51907 1 272 321 TRP . 51907 1 273 322 LEU . 51907 1 274 323 PRO . 51907 1 275 324 TYR . 51907 1 276 325 HIS . 51907 1 277 326 VAL . 51907 1 278 327 ARG . 51907 1 279 328 ARG . 51907 1 280 329 LEU . 51907 1 281 330 MET . 51907 1 282 331 PHE . 51907 1 283 332 VAL . 51907 1 284 333 TYR . 51907 1 285 334 ILE . 51907 1 286 335 SER . 51907 1 287 336 ASP . 51907 1 288 337 GLU . 51907 1 289 338 GLN . 51907 1 290 339 TRP . 51907 1 291 340 THR . 51907 1 292 341 THR . 51907 1 293 342 ALA . 51907 1 294 343 LEU . 51907 1 295 344 PHE . 51907 1 296 345 ASP . 51907 1 297 346 PHE . 51907 1 298 347 TYR . 51907 1 299 348 HIS . 51907 1 300 349 TYR . 51907 1 301 350 PHE . 51907 1 302 351 TYR . 51907 1 303 352 MET . 51907 1 304 353 LEU . 51907 1 305 354 SER . 51907 1 306 355 ASN . 51907 1 307 356 ALA . 51907 1 308 357 LEU . 51907 1 309 358 VAL . 51907 1 310 359 TYR . 51907 1 311 360 VAL . 51907 1 312 361 SER . 51907 1 313 362 ALA . 51907 1 314 363 ALA . 51907 1 315 364 ILE . 51907 1 316 365 ASN . 51907 1 317 366 PRO . 51907 1 318 367 ILE . 51907 1 319 368 LEU . 51907 1 320 369 TYR . 51907 1 321 370 ASN . 51907 1 322 371 LEU . 51907 1 323 372 VAL . 51907 1 324 373 SER . 51907 1 325 374 ALA . 51907 1 326 375 ASN . 51907 1 327 376 PHE . 51907 1 328 377 ARG . 51907 1 329 378 GLN . 51907 1 330 379 VAL . 51907 1 331 380 PHE . 51907 1 332 381 LEU . 51907 1 333 382 SER . 51907 1 334 383 THR . 51907 1 335 384 LEU . 51907 1 336 385 ALA . 51907 1 337 386 CYS . 51907 1 338 387 LEU . 51907 1 339 388 CYS . 51907 1 340 389 PRO . 51907 1 341 390 GLY . 51907 1 342 391 THR . 51907 1 343 392 ARG . 51907 1 344 393 GLU . 51907 1 345 394 LEU . 51907 1 346 395 GLU . 51907 1 347 396 VAL . 51907 1 348 397 LEU . 51907 1 349 398 PHE . 51907 1 350 399 GLN . 51907 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 51907 1 . PRO 2 2 51907 1 . ASN 3 3 51907 1 . SER 4 4 51907 1 . ASP 5 5 51907 1 . LEU 6 6 51907 1 . ASP 7 7 51907 1 . VAL 8 8 51907 1 . ASN 9 9 51907 1 . THR 10 10 51907 1 . ASP 11 11 51907 1 . ILE 12 12 51907 1 . TYR 13 13 51907 1 . SER 14 14 51907 1 . LYS 15 15 51907 1 . VAL 16 16 51907 1 . LEU 17 17 51907 1 . VAL 18 18 51907 1 . THR 19 19 51907 1 . ALA 20 20 51907 1 . ILE 21 21 51907 1 . TYR 22 22 51907 1 . LEU 23 23 51907 1 . ALA 24 24 51907 1 . LEU 25 25 51907 1 . PHE 26 26 51907 1 . VAL 27 27 51907 1 . VAL 28 28 51907 1 . GLY 29 29 51907 1 . THR 30 30 51907 1 . VAL 31 31 51907 1 . GLY 32 32 51907 1 . ASN 33 33 51907 1 . GLY 34 34 51907 1 . VAL 35 35 51907 1 . THR 36 36 51907 1 . LEU 37 37 51907 1 . PHE 38 38 51907 1 . THR 39 39 51907 1 . LEU 40 40 51907 1 . ALA 41 41 51907 1 . ARG 42 42 51907 1 . LYS 43 43 51907 1 . LYS 44 44 51907 1 . SER 45 45 51907 1 . LEU 46 46 51907 1 . GLN 47 47 51907 1 . SER 48 48 51907 1 . LEU 49 49 51907 1 . GLN 50 50 51907 1 . SER 51 51 51907 1 . ARG 52 52 51907 1 . VAL 53 53 51907 1 . ASP 54 54 51907 1 . TYR 55 55 51907 1 . TYR 56 56 51907 1 . LEU 57 57 51907 1 . GLY 58 58 51907 1 . SER 59 59 51907 1 . LEU 60 60 51907 1 . ALA 61 61 51907 1 . LEU 62 62 51907 1 . SER 63 63 51907 1 . ASP 64 64 51907 1 . LEU 65 65 51907 1 . LEU 66 66 51907 1 . ILE 67 67 51907 1 . LEU 68 68 51907 1 . LEU 69 69 51907 1 . PHE 70 70 51907 1 . ALA 71 71 51907 1 . LEU 72 72 51907 1 . PRO 73 73 51907 1 . VAL 74 74 51907 1 . ASP 75 75 51907 1 . LEU 76 76 51907 1 . TYR 77 77 51907 1 . ASN 78 78 51907 1 . PHE 79 79 51907 1 . ILE 80 80 51907 1 . TRP 81 81 51907 1 . VAL 82 82 51907 1 . HIS 83 83 51907 1 . HIS 84 84 51907 1 . PRO 85 85 51907 1 . TRP 86 86 51907 1 . ALA 87 87 51907 1 . PHE 88 88 51907 1 . GLY 89 89 51907 1 . ASP 90 90 51907 1 . ALA 91 91 51907 1 . GLY 92 92 51907 1 . CYS 93 93 51907 1 . LYS 94 94 51907 1 . GLY 95 95 51907 1 . TYR 96 96 51907 1 . TYR 97 97 51907 1 . PHE 98 98 51907 1 . LEU 99 99 51907 1 . ARG 100 100 51907 1 . GLU 101 101 51907 1 . ALA 102 102 51907 1 . CYS 103 103 51907 1 . THR 104 104 51907 1 . TYR 105 105 51907 1 . ALA 106 106 51907 1 . THR 107 107 51907 1 . ALA 108 108 51907 1 . LEU 109 109 51907 1 . ASN 110 110 51907 1 . VAL 111 111 51907 1 . VAL 112 112 51907 1 . SER 113 113 51907 1 . LEU 114 114 51907 1 . SER 115 115 51907 1 . VAL 116 116 51907 1 . GLU 117 117 51907 1 . LEU 118 118 51907 1 . TYR 119 119 51907 1 . LEU 120 120 51907 1 . ALA 121 121 51907 1 . ILE 122 122 51907 1 . CYS 123 123 51907 1 . HIS 124 124 51907 1 . PRO 125 125 51907 1 . PHE 126 126 51907 1 . LYS 127 127 51907 1 . ALA 128 128 51907 1 . LYS 129 129 51907 1 . THR 130 130 51907 1 . LEU 131 131 51907 1 . MET 132 132 51907 1 . SER 133 133 51907 1 . ARG 134 134 51907 1 . SER 135 135 51907 1 . ARG 136 136 51907 1 . THR 137 137 51907 1 . LYS 138 138 51907 1 . LYS 139 139 51907 1 . PHE 140 140 51907 1 . ILE 141 141 51907 1 . SER 142 142 51907 1 . ALA 143 143 51907 1 . ILE 144 144 51907 1 . TRP 145 145 51907 1 . LEU 146 146 51907 1 . ALA 147 147 51907 1 . SER 148 148 51907 1 . ALA 149 149 51907 1 . LEU 150 150 51907 1 . LEU 151 151 51907 1 . ALA 152 152 51907 1 . ILE 153 153 51907 1 . PRO 154 154 51907 1 . MET 155 155 51907 1 . LEU 156 156 51907 1 . PHE 157 157 51907 1 . THR 158 158 51907 1 . MET 159 159 51907 1 . GLY 160 160 51907 1 . LEU 161 161 51907 1 . GLN 162 162 51907 1 . ASN 163 163 51907 1 . LEU 164 164 51907 1 . SER 165 165 51907 1 . GLY 166 166 51907 1 . ASP 167 167 51907 1 . GLY 168 168 51907 1 . THR 169 169 51907 1 . HIS 170 170 51907 1 . PRO 171 171 51907 1 . GLY 172 172 51907 1 . GLY 173 173 51907 1 . LEU 174 174 51907 1 . VAL 175 175 51907 1 . CYS 176 176 51907 1 . THR 177 177 51907 1 . PRO 178 178 51907 1 . ILE 179 179 51907 1 . VAL 180 180 51907 1 . ASP 181 181 51907 1 . THR 182 182 51907 1 . ALA 183 183 51907 1 . THR 184 184 51907 1 . LEU 185 185 51907 1 . ARG 186 186 51907 1 . VAL 187 187 51907 1 . VAL 188 188 51907 1 . ILE 189 189 51907 1 . GLN 190 190 51907 1 . LEU 191 191 51907 1 . ASN 192 192 51907 1 . THR 193 193 51907 1 . PHE 194 194 51907 1 . MET 195 195 51907 1 . SER 196 196 51907 1 . PHE 197 197 51907 1 . LEU 198 198 51907 1 . PHE 199 199 51907 1 . PRO 200 200 51907 1 . MET 201 201 51907 1 . LEU 202 202 51907 1 . VAL 203 203 51907 1 . ALA 204 204 51907 1 . SER 205 205 51907 1 . ILE 206 206 51907 1 . LEU 207 207 51907 1 . ASN 208 208 51907 1 . THR 209 209 51907 1 . VAL 210 210 51907 1 . ALA 211 211 51907 1 . ALA 212 212 51907 1 . ARG 213 213 51907 1 . ARG 214 214 51907 1 . LEU 215 215 51907 1 . THR 216 216 51907 1 . VAL 217 217 51907 1 . MET 218 218 51907 1 . VAL 219 219 51907 1 . HIS 220 220 51907 1 . GLN 221 221 51907 1 . ALA 222 222 51907 1 . ALA 223 223 51907 1 . GLU 224 224 51907 1 . GLN 225 225 51907 1 . GLY 226 226 51907 1 . ARG 227 227 51907 1 . VAL 228 228 51907 1 . CYS 229 229 51907 1 . THR 230 230 51907 1 . VAL 231 231 51907 1 . GLY 232 232 51907 1 . THR 233 233 51907 1 . HIS 234 234 51907 1 . ASN 235 235 51907 1 . GLY 236 236 51907 1 . LEU 237 237 51907 1 . GLU 238 238 51907 1 . HIS 239 239 51907 1 . SER 240 240 51907 1 . THR 241 241 51907 1 . PHE 242 242 51907 1 . ASN 243 243 51907 1 . MET 244 244 51907 1 . THR 245 245 51907 1 . ILE 246 246 51907 1 . GLU 247 247 51907 1 . PRO 248 248 51907 1 . GLY 249 249 51907 1 . ARG 250 250 51907 1 . VAL 251 251 51907 1 . GLN 252 252 51907 1 . ALA 253 253 51907 1 . LEU 254 254 51907 1 . ARG 255 255 51907 1 . ARG 256 256 51907 1 . GLY 257 257 51907 1 . VAL 258 258 51907 1 . LEU 259 259 51907 1 . VAL 260 260 51907 1 . LEU 261 261 51907 1 . ARG 262 262 51907 1 . ALA 263 263 51907 1 . VAL 264 264 51907 1 . VAL 265 265 51907 1 . ILE 266 266 51907 1 . ALA 267 267 51907 1 . PHE 268 268 51907 1 . VAL 269 269 51907 1 . VAL 270 270 51907 1 . CYS 271 271 51907 1 . TRP 272 272 51907 1 . LEU 273 273 51907 1 . PRO 274 274 51907 1 . TYR 275 275 51907 1 . HIS 276 276 51907 1 . VAL 277 277 51907 1 . ARG 278 278 51907 1 . ARG 279 279 51907 1 . LEU 280 280 51907 1 . MET 281 281 51907 1 . PHE 282 282 51907 1 . VAL 283 283 51907 1 . TYR 284 284 51907 1 . ILE 285 285 51907 1 . SER 286 286 51907 1 . ASP 287 287 51907 1 . GLU 288 288 51907 1 . GLN 289 289 51907 1 . TRP 290 290 51907 1 . THR 291 291 51907 1 . THR 292 292 51907 1 . ALA 293 293 51907 1 . LEU 294 294 51907 1 . PHE 295 295 51907 1 . ASP 296 296 51907 1 . PHE 297 297 51907 1 . TYR 298 298 51907 1 . HIS 299 299 51907 1 . TYR 300 300 51907 1 . PHE 301 301 51907 1 . TYR 302 302 51907 1 . MET 303 303 51907 1 . LEU 304 304 51907 1 . SER 305 305 51907 1 . ASN 306 306 51907 1 . ALA 307 307 51907 1 . LEU 308 308 51907 1 . VAL 309 309 51907 1 . TYR 310 310 51907 1 . VAL 311 311 51907 1 . SER 312 312 51907 1 . ALA 313 313 51907 1 . ALA 314 314 51907 1 . ILE 315 315 51907 1 . ASN 316 316 51907 1 . PRO 317 317 51907 1 . ILE 318 318 51907 1 . LEU 319 319 51907 1 . TYR 320 320 51907 1 . ASN 321 321 51907 1 . LEU 322 322 51907 1 . VAL 323 323 51907 1 . SER 324 324 51907 1 . ALA 325 325 51907 1 . ASN 326 326 51907 1 . PHE 327 327 51907 1 . ARG 328 328 51907 1 . GLN 329 329 51907 1 . VAL 330 330 51907 1 . PHE 331 331 51907 1 . LEU 332 332 51907 1 . SER 333 333 51907 1 . THR 334 334 51907 1 . LEU 335 335 51907 1 . ALA 336 336 51907 1 . CYS 337 337 51907 1 . LEU 338 338 51907 1 . CYS 339 339 51907 1 . PRO 340 340 51907 1 . GLY 341 341 51907 1 . THR 342 342 51907 1 . ARG 343 343 51907 1 . GLU 344 344 51907 1 . LEU 345 345 51907 1 . GLU 346 346 51907 1 . VAL 347 347 51907 1 . LEU 348 348 51907 1 . PHE 349 349 51907 1 . GLN 350 350 51907 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51907 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . 51907 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51907 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . plasmid . . 'pEP-HTGH4dIC3B G50-G391' . . . 51907 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51907 _Sample.ID 1 _Sample.Name DCN _Sample.Type solution _Sample.Sub_type . _Sample.Details 'DCN-labeled NTR1 variant HTGH4 in DH7PC detergent micelles' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'NTR1 monomer' '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 400 . . uM . . . . 51907 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 51907 _Sample_condition_list.ID 1 _Sample_condition_list.Name standard _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' 0.1 . M 51907 1 pH 6.5 . pH 51907 1 pressure 1 . atm 51907 1 temperature 315 . K 51907 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51907 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51907 1 processing . 51907 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51907 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51907 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51907 _Software.ID 3 _Software.Type . _Software.Name istHMS _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51907 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51907 _Software.ID 4 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51907 4 'data analysis' . 51907 4 'peak picking' . 51907 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51907 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Bruker800 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51907 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51907 1 2 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51907 1 3 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51907 1 4 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51907 1 5 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51907 1 6 '3D HN(CO)CA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51907 1 7 '3D 15N-separated NOESY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51907 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51907 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 external indirect 0.25144953 . . . . . 51907 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 51907 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 51907 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51907 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name HTGH4-backbone _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 51907 1 2 '3D HNCO' . . . 51907 1 3 '3D HNCA' . . . 51907 1 4 '3D HNCACB' . . . 51907 1 5 '3D HN(CA)CO' . . . 51907 1 6 '3D HN(CO)CA' . . . 51907 1 7 '3D 15N-separated NOESY' . . . 51907 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51907 1 2 $software_2 . . 51907 1 3 $software_3 . . 51907 1 4 $software_4 . . 51907 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 ASN CA C 13 51.157 0.000 . . . . . . . 52 N CA . 51907 1 2 . 1 . 1 4 4 SER H H 1 7.910 0.007 . . . . . . . 53 S H . 51907 1 3 . 1 . 1 4 4 SER C C 13 175.530 0.000 . . . . . . . 53 S C . 51907 1 4 . 1 . 1 4 4 SER CA C 13 58.064 0.000 . . . . . . . 53 S CA . 51907 1 5 . 1 . 1 4 4 SER CB C 13 60.933 0.000 . . . . . . . 53 S CB . 51907 1 6 . 1 . 1 4 4 SER N N 15 116.174 0.044 . . . . . . . 53 S N . 51907 1 7 . 1 . 1 5 5 ASP H H 1 8.458 0.004 . . . . . . . 54 D H . 51907 1 8 . 1 . 1 5 5 ASP C C 13 176.196 0.065 . . . . . . . 54 D C . 51907 1 9 . 1 . 1 5 5 ASP CA C 13 53.609 0.003 . . . . . . . 54 D CA . 51907 1 10 . 1 . 1 5 5 ASP CB C 13 37.799 0.000 . . . . . . . 54 D CB . 51907 1 11 . 1 . 1 5 5 ASP N N 15 122.006 0.019 . . . . . . . 54 D N . 51907 1 12 . 1 . 1 6 6 LEU H H 1 7.715 0.005 . . . . . . . 55 L H . 51907 1 13 . 1 . 1 6 6 LEU C C 13 176.739 0.010 . . . . . . . 55 L C . 51907 1 14 . 1 . 1 6 6 LEU CA C 13 51.694 0.017 . . . . . . . 55 L CA . 51907 1 15 . 1 . 1 6 6 LEU CB C 13 38.028 0.000 . . . . . . . 55 L CB . 51907 1 16 . 1 . 1 6 6 LEU N N 15 117.420 0.045 . . . . . . . 55 L N . 51907 1 17 . 1 . 1 7 7 ASP H H 1 7.547 0.006 . . . . . . . 56 D H . 51907 1 18 . 1 . 1 7 7 ASP C C 13 174.713 0.070 . . . . . . . 56 D C . 51907 1 19 . 1 . 1 7 7 ASP CA C 13 53.427 0.026 . . . . . . . 56 D CA . 51907 1 20 . 1 . 1 7 7 ASP CB C 13 37.937 0.046 . . . . . . . 56 D CB . 51907 1 21 . 1 . 1 7 7 ASP N N 15 120.662 0.040 . . . . . . . 56 D N . 51907 1 22 . 1 . 1 8 8 VAL H H 1 8.280 0.004 . . . . . . . 57 V H . 51907 1 23 . 1 . 1 8 8 VAL C C 13 176.036 0.037 . . . . . . . 57 V C . 51907 1 24 . 1 . 1 8 8 VAL CA C 13 59.700 0.013 . . . . . . . 57 V CA . 51907 1 25 . 1 . 1 8 8 VAL CB C 13 29.553 0.023 . . . . . . . 57 V CB . 51907 1 26 . 1 . 1 8 8 VAL N N 15 123.491 0.036 . . . . . . . 57 V N . 51907 1 27 . 1 . 1 9 9 ASN H H 1 9.326 0.006 . . . . . . . 58 N H . 51907 1 28 . 1 . 1 9 9 ASN C C 13 175.593 0.041 . . . . . . . 58 N C . 51907 1 29 . 1 . 1 9 9 ASN CA C 13 50.694 0.040 . . . . . . . 58 N CA . 51907 1 30 . 1 . 1 9 9 ASN CB C 13 36.093 0.011 . . . . . . . 58 N CB . 51907 1 31 . 1 . 1 9 9 ASN N N 15 128.423 0.043 . . . . . . . 58 N N . 51907 1 32 . 1 . 1 10 10 THR H H 1 7.090 0.006 . . . . . . . 59 T H . 51907 1 33 . 1 . 1 10 10 THR C C 13 174.407 0.056 . . . . . . . 59 T C . 51907 1 34 . 1 . 1 10 10 THR CA C 13 58.149 0.036 . . . . . . . 59 T CA . 51907 1 35 . 1 . 1 10 10 THR CB C 13 67.335 0.126 . . . . . . . 59 T CB . 51907 1 36 . 1 . 1 10 10 THR N N 15 111.124 0.043 . . . . . . . 59 T N . 51907 1 37 . 1 . 1 11 11 ASP H H 1 8.043 0.005 . . . . . . . 60 D H . 51907 1 38 . 1 . 1 11 11 ASP C C 13 176.108 0.044 . . . . . . . 60 D C . 51907 1 39 . 1 . 1 11 11 ASP CA C 13 51.734 0.046 . . . . . . . 60 D CA . 51907 1 40 . 1 . 1 11 11 ASP CB C 13 41.065 0.059 . . . . . . . 60 D CB . 51907 1 41 . 1 . 1 11 11 ASP N N 15 122.465 0.038 . . . . . . . 60 D N . 51907 1 42 . 1 . 1 12 12 ILE H H 1 8.708 0.007 . . . . . . . 61 I H . 51907 1 43 . 1 . 1 12 12 ILE C C 13 175.715 0.044 . . . . . . . 61 I C . 51907 1 44 . 1 . 1 12 12 ILE CA C 13 60.845 0.028 . . . . . . . 61 I CA . 51907 1 45 . 1 . 1 12 12 ILE CB C 13 35.305 0.071 . . . . . . . 61 I CB . 51907 1 46 . 1 . 1 12 12 ILE N N 15 121.290 0.047 . . . . . . . 61 I N . 51907 1 47 . 1 . 1 13 13 TYR H H 1 7.988 0.004 . . . . . . . 62 Y H . 51907 1 48 . 1 . 1 13 13 TYR C C 13 177.944 0.033 . . . . . . . 62 Y C . 51907 1 49 . 1 . 1 13 13 TYR CA C 13 59.720 0.012 . . . . . . . 62 Y CA . 51907 1 50 . 1 . 1 13 13 TYR CB C 13 34.707 0.000 . . . . . . . 62 Y CB . 51907 1 51 . 1 . 1 13 13 TYR N N 15 122.755 0.038 . . . . . . . 62 Y N . 51907 1 52 . 1 . 1 14 14 SER H H 1 8.790 0.004 . . . . . . . 63 S H . 51907 1 53 . 1 . 1 14 14 SER C C 13 175.935 0.000 . . . . . . . 63 S C . 51907 1 54 . 1 . 1 14 14 SER CA C 13 60.902 0.029 . . . . . . . 63 S CA . 51907 1 55 . 1 . 1 14 14 SER CB C 13 59.857 0.000 . . . . . . . 63 S CB . 51907 1 56 . 1 . 1 14 14 SER N N 15 117.446 0.049 . . . . . . . 63 S N . 51907 1 57 . 1 . 1 15 15 LYS H H 1 7.656 0.004 . . . . . . . 64 K H . 51907 1 58 . 1 . 1 15 15 LYS C C 13 179.879 0.042 . . . . . . . 64 K C . 51907 1 59 . 1 . 1 15 15 LYS CA C 13 58.734 0.025 . . . . . . . 64 K CA . 51907 1 60 . 1 . 1 15 15 LYS CB C 13 29.553 0.000 . . . . . . . 64 K CB . 51907 1 61 . 1 . 1 15 15 LYS N N 15 120.255 0.035 . . . . . . . 64 K N . 51907 1 62 . 1 . 1 16 16 VAL H H 1 8.686 0.004 . . . . . . . 65 V H . 51907 1 63 . 1 . 1 16 16 VAL C C 13 176.717 0.028 . . . . . . . 65 V C . 51907 1 64 . 1 . 1 16 16 VAL CA C 13 65.985 0.014 . . . . . . . 65 V CA . 51907 1 65 . 1 . 1 16 16 VAL CB C 13 28.569 0.046 . . . . . . . 65 V CB . 51907 1 66 . 1 . 1 16 16 VAL N N 15 123.442 0.036 . . . . . . . 65 V N . 51907 1 67 . 1 . 1 17 17 LEU H H 1 8.625 0.005 . . . . . . . 66 L H . 51907 1 68 . 1 . 1 17 17 LEU C C 13 178.550 0.042 . . . . . . . 66 L C . 51907 1 69 . 1 . 1 17 17 LEU CA C 13 56.580 0.020 . . . . . . . 66 L CA . 51907 1 70 . 1 . 1 17 17 LEU CB C 13 39.105 0.000 . . . . . . . 66 L CB . 51907 1 71 . 1 . 1 17 17 LEU N N 15 121.802 0.060 . . . . . . . 66 L N . 51907 1 72 . 1 . 1 18 18 VAL H H 1 8.635 0.004 . . . . . . . 67 V H . 51907 1 73 . 1 . 1 18 18 VAL C C 13 176.894 0.006 . . . . . . . 67 V C . 51907 1 74 . 1 . 1 18 18 VAL CA C 13 64.316 0.002 . . . . . . . 67 V CA . 51907 1 75 . 1 . 1 18 18 VAL CB C 13 28.614 0.000 . . . . . . . 67 V CB . 51907 1 76 . 1 . 1 18 18 VAL N N 15 117.432 0.051 . . . . . . . 67 V N . 51907 1 77 . 1 . 1 19 19 THR H H 1 8.046 0.008 . . . . . . . 68 T H . 51907 1 78 . 1 . 1 19 19 THR C C 13 177.423 0.000 . . . . . . . 68 T C . 51907 1 79 . 1 . 1 19 19 THR CA C 13 58.394 0.000 . . . . . . . 68 T CA . 51907 1 80 . 1 . 1 19 19 THR N N 15 118.827 0.002 . . . . . . . 68 T N . 51907 1 81 . 1 . 1 20 20 ALA H H 1 7.723 0.006 . . . . . . . 69 A H . 51907 1 82 . 1 . 1 20 20 ALA C C 13 178.996 0.000 . . . . . . . 69 A C . 51907 1 83 . 1 . 1 20 20 ALA CA C 13 53.745 0.267 . . . . . . . 69 A CA . 51907 1 84 . 1 . 1 20 20 ALA CB C 13 14.390 0.000 . . . . . . . 69 A CB . 51907 1 85 . 1 . 1 20 20 ALA N N 15 120.343 0.008 . . . . . . . 69 A N . 51907 1 86 . 1 . 1 21 21 ILE H H 1 8.411 0.005 . . . . . . . 70 I H . 51907 1 87 . 1 . 1 21 21 ILE C C 13 177.045 0.104 . . . . . . . 70 I C . 51907 1 88 . 1 . 1 21 21 ILE CA C 13 63.629 0.194 . . . . . . . 70 I CA . 51907 1 89 . 1 . 1 21 21 ILE CB C 13 35.097 0.137 . . . . . . . 70 I CB . 51907 1 90 . 1 . 1 21 21 ILE N N 15 119.093 0.022 . . . . . . . 70 I N . 51907 1 91 . 1 . 1 22 22 TYR H H 1 8.344 0.004 . . . . . . . 71 Y H . 51907 1 92 . 1 . 1 22 22 TYR C C 13 178.960 0.000 . . . . . . . 71 Y C . 51907 1 93 . 1 . 1 22 22 TYR CA C 13 56.205 0.000 . . . . . . . 71 Y CA . 51907 1 94 . 1 . 1 22 22 TYR CB C 13 38.028 0.000 . . . . . . . 71 Y CB . 51907 1 95 . 1 . 1 22 22 TYR N N 15 117.994 0.040 . . . . . . . 71 Y N . 51907 1 96 . 1 . 1 23 23 LEU H H 1 8.906 0.000 . . . . . . . 72 L H . 51907 1 97 . 1 . 1 23 23 LEU CA C 13 56.109 0.000 . . . . . . . 72 L CA . 51907 1 98 . 1 . 1 23 23 LEU N N 15 119.973 0.066 . . . . . . . 72 L N . 51907 1 99 . 1 . 1 28 28 VAL C C 13 177.450 0.000 . . . . . . . 77 V C . 51907 1 100 . 1 . 1 28 28 VAL CA C 13 61.960 0.000 . . . . . . . 77 V CA . 51907 1 101 . 1 . 1 29 29 GLY H H 1 8.672 0.004 . . . . . . . 78 G H . 51907 1 102 . 1 . 1 29 29 GLY C C 13 173.977 0.000 . . . . . . . 78 G C . 51907 1 103 . 1 . 1 29 29 GLY CA C 13 43.591 0.045 . . . . . . . 78 G CA . 51907 1 104 . 1 . 1 29 29 GLY N N 15 108.764 0.054 . . . . . . . 78 G N . 51907 1 105 . 1 . 1 30 30 THR H H 1 8.327 0.006 . . . . . . . 79 T H . 51907 1 106 . 1 . 1 30 30 THR C C 13 174.605 0.029 . . . . . . . 79 T C . 51907 1 107 . 1 . 1 30 30 THR CA C 13 60.249 0.044 . . . . . . . 79 T CA . 51907 1 108 . 1 . 1 30 30 THR CB C 13 69.156 0.000 . . . . . . . 79 T CB . 51907 1 109 . 1 . 1 30 30 THR N N 15 110.767 0.009 . . . . . . . 79 T N . 51907 1 110 . 1 . 1 31 31 VAL H H 1 8.884 0.007 . . . . . . . 80 V H . 51907 1 111 . 1 . 1 31 31 VAL C C 13 176.596 0.000 . . . . . . . 80 V C . 51907 1 112 . 1 . 1 31 31 VAL CA C 13 54.844 0.000 . . . . . . . 80 V CA . 51907 1 113 . 1 . 1 31 31 VAL CB C 13 28.706 0.000 . . . . . . . 80 V CB . 51907 1 114 . 1 . 1 31 31 VAL N N 15 128.669 0.029 . . . . . . . 80 V N . 51907 1 115 . 1 . 1 34 34 GLY C C 13 174.751 0.000 . . . . . . . 83 G C . 51907 1 116 . 1 . 1 34 34 GLY CA C 13 45.285 0.000 . . . . . . . 83 G CA . 51907 1 117 . 1 . 1 35 35 VAL H H 1 8.940 0.006 . . . . . . . 84 V H . 51907 1 118 . 1 . 1 35 35 VAL C C 13 178.934 0.000 . . . . . . . 84 V C . 51907 1 119 . 1 . 1 35 35 VAL CA C 13 64.854 0.000 . . . . . . . 84 V CA . 51907 1 120 . 1 . 1 35 35 VAL CB C 13 28.362 0.000 . . . . . . . 84 V CB . 51907 1 121 . 1 . 1 35 35 VAL N N 15 120.903 0.044 . . . . . . . 84 V N . 51907 1 122 . 1 . 1 40 40 LEU C C 13 177.920 0.000 . . . . . . . 89 L C . 51907 1 123 . 1 . 1 40 40 LEU CA C 13 56.044 0.098 . . . . . . . 89 L CA . 51907 1 124 . 1 . 1 40 40 LEU CB C 13 39.213 0.000 . . . . . . . 89 L CB . 51907 1 125 . 1 . 1 41 41 ALA H H 1 7.942 0.006 . . . . . . . 90 A H . 51907 1 126 . 1 . 1 41 41 ALA C C 13 177.845 0.000 . . . . . . . 90 A C . 51907 1 127 . 1 . 1 41 41 ALA CA C 13 52.629 0.000 . . . . . . . 90 A CA . 51907 1 128 . 1 . 1 41 41 ALA CB C 13 15.948 0.000 . . . . . . . 90 A CB . 51907 1 129 . 1 . 1 41 41 ALA N N 15 118.803 0.058 . . . . . . . 90 A N . 51907 1 130 . 1 . 1 79 79 PHE C C 13 177.272 0.000 . . . . . . . 128 F C . 51907 1 131 . 1 . 1 79 79 PHE CA C 13 58.148 0.034 . . . . . . . 128 F CA . 51907 1 132 . 1 . 1 79 79 PHE CB C 13 36.242 0.000 . . . . . . . 128 F CB . 51907 1 133 . 1 . 1 80 80 ILE H H 1 8.516 0.004 . . . . . . . 129 I H . 51907 1 134 . 1 . 1 80 80 ILE C C 13 178.584 0.022 . . . . . . . 129 I C . 51907 1 135 . 1 . 1 80 80 ILE CA C 13 61.999 0.034 . . . . . . . 129 I CA . 51907 1 136 . 1 . 1 80 80 ILE CB C 13 34.455 0.000 . . . . . . . 129 I CB . 51907 1 137 . 1 . 1 80 80 ILE N N 15 118.446 0.036 . . . . . . . 129 I N . 51907 1 138 . 1 . 1 81 81 TRP H H 1 8.035 0.005 . . . . . . . 130 W H . 51907 1 139 . 1 . 1 81 81 TRP HE1 H 1 10.011 0.000 . . . . . . . 130 W HE1 . 51907 1 140 . 1 . 1 81 81 TRP CA C 13 60.834 0.000 . . . . . . . 130 W CA . 51907 1 141 . 1 . 1 81 81 TRP N N 15 116.235 0.047 . . . . . . . 130 W N . 51907 1 142 . 1 . 1 81 81 TRP NE1 N 15 127.772 0.000 . . . . . . . 130 W NE1 . 51907 1 143 . 1 . 1 82 82 VAL H H 1 7.970 0.000 . . . . . . . 131 V H . 51907 1 144 . 1 . 1 82 82 VAL N N 15 121.153 0.000 . . . . . . . 131 V N . 51907 1 145 . 1 . 1 85 85 PRO C C 13 177.071 0.000 . . . . . . . 134 P C . 51907 1 146 . 1 . 1 85 85 PRO CA C 13 60.281 0.017 . . . . . . . 134 P CA . 51907 1 147 . 1 . 1 85 85 PRO CB C 13 32.989 0.000 . . . . . . . 134 P CB . 51907 1 148 . 1 . 1 86 86 TRP H H 1 9.130 0.004 . . . . . . . 135 W H . 51907 1 149 . 1 . 1 86 86 TRP HE1 H 1 10.052 0.014 . . . . . . . 135 W HE1 . 51907 1 150 . 1 . 1 86 86 TRP C C 13 177.523 0.037 . . . . . . . 135 W C . 51907 1 151 . 1 . 1 86 86 TRP CA C 13 55.167 0.023 . . . . . . . 135 W CA . 51907 1 152 . 1 . 1 86 86 TRP CB C 13 28.431 0.046 . . . . . . . 135 W CB . 51907 1 153 . 1 . 1 86 86 TRP N N 15 122.797 0.050 . . . . . . . 135 W N . 51907 1 154 . 1 . 1 86 86 TRP NE1 N 15 128.201 0.000 . . . . . . . 135 W NE1 . 51907 1 155 . 1 . 1 87 87 ALA H H 1 8.954 0.003 . . . . . . . 136 A H . 51907 1 156 . 1 . 1 87 87 ALA C C 13 177.619 0.000 . . . . . . . 136 A C . 51907 1 157 . 1 . 1 87 87 ALA CA C 13 50.669 0.000 . . . . . . . 136 A CA . 51907 1 158 . 1 . 1 87 87 ALA CB C 13 17.298 0.000 . . . . . . . 136 A CB . 51907 1 159 . 1 . 1 87 87 ALA N N 15 131.158 0.030 . . . . . . . 136 A N . 51907 1 160 . 1 . 1 88 88 PHE C C 13 175.113 0.000 . . . . . . . 137 F C . 51907 1 161 . 1 . 1 88 88 PHE CA C 13 55.903 0.030 . . . . . . . 137 F CA . 51907 1 162 . 1 . 1 88 88 PHE CB C 13 41.889 0.000 . . . . . . . 137 F CB . 51907 1 163 . 1 . 1 89 89 GLY H H 1 8.851 0.004 . . . . . . . 138 G H . 51907 1 164 . 1 . 1 89 89 GLY C C 13 174.311 0.000 . . . . . . . 138 G C . 51907 1 165 . 1 . 1 89 89 GLY CA C 13 42.771 0.000 . . . . . . . 138 G CA . 51907 1 166 . 1 . 1 89 89 GLY N N 15 107.870 0.037 . . . . . . . 138 G N . 51907 1 167 . 1 . 1 90 90 ASP C C 13 178.621 0.000 . . . . . . . 139 D C . 51907 1 168 . 1 . 1 90 90 ASP CA C 13 56.376 0.000 . . . . . . . 139 D CA . 51907 1 169 . 1 . 1 90 90 ASP CB C 13 40.264 0.000 . . . . . . . 139 D CB . 51907 1 170 . 1 . 1 91 91 ALA H H 1 9.287 0.004 . . . . . . . 140 A H . 51907 1 171 . 1 . 1 91 91 ALA C C 13 180.394 0.012 . . . . . . . 140 A C . 51907 1 172 . 1 . 1 91 91 ALA CA C 13 53.254 0.035 . . . . . . . 140 A CA . 51907 1 173 . 1 . 1 91 91 ALA CB C 13 15.477 0.068 . . . . . . . 140 A CB . 51907 1 174 . 1 . 1 91 91 ALA N N 15 120.651 0.044 . . . . . . . 140 A N . 51907 1 175 . 1 . 1 92 92 GLY H H 1 7.774 0.005 . . . . . . . 141 G H . 51907 1 176 . 1 . 1 92 92 GLY C C 13 174.852 0.062 . . . . . . . 141 G C . 51907 1 177 . 1 . 1 92 92 GLY CA C 13 45.524 0.025 . . . . . . . 141 G CA . 51907 1 178 . 1 . 1 92 92 GLY N N 15 104.252 0.062 . . . . . . . 141 G N . 51907 1 179 . 1 . 1 93 93 CYS H H 1 8.106 0.006 . . . . . . . 142 C H . 51907 1 180 . 1 . 1 93 93 CYS C C 13 174.504 0.041 . . . . . . . 142 C C . 51907 1 181 . 1 . 1 93 93 CYS CA C 13 56.075 0.042 . . . . . . . 142 C CA . 51907 1 182 . 1 . 1 93 93 CYS CB C 13 33.477 0.000 . . . . . . . 142 C CB . 51907 1 183 . 1 . 1 93 93 CYS N N 15 120.922 0.054 . . . . . . . 142 C N . 51907 1 184 . 1 . 1 94 94 LYS H H 1 8.203 0.003 . . . . . . . 143 K H . 51907 1 185 . 1 . 1 94 94 LYS C C 13 178.679 0.037 . . . . . . . 143 K C . 51907 1 186 . 1 . 1 94 94 LYS CA C 13 58.269 0.065 . . . . . . . 143 K CA . 51907 1 187 . 1 . 1 94 94 LYS CB C 13 31.556 0.032 . . . . . . . 143 K CB . 51907 1 188 . 1 . 1 94 94 LYS N N 15 117.155 0.041 . . . . . . . 143 K N . 51907 1 189 . 1 . 1 95 95 GLY H H 1 9.037 0.006 . . . . . . . 144 G H . 51907 1 190 . 1 . 1 95 95 GLY C C 13 173.780 0.000 . . . . . . . 144 G C . 51907 1 191 . 1 . 1 95 95 GLY CA C 13 45.679 0.046 . . . . . . . 144 G CA . 51907 1 192 . 1 . 1 95 95 GLY N N 15 105.334 0.036 . . . . . . . 144 G N . 51907 1 193 . 1 . 1 126 126 PHE C C 13 178.745 0.000 . . . . . . . 175 F C . 51907 1 194 . 1 . 1 126 126 PHE CA C 13 56.869 0.000 . . . . . . . 175 F CA . 51907 1 195 . 1 . 1 126 126 PHE CB C 13 39.288 0.000 . . . . . . . 175 F CB . 51907 1 196 . 1 . 1 127 127 LYS H H 1 8.062 0.021 . . . . . . . 176 K H . 51907 1 197 . 1 . 1 127 127 LYS C C 13 178.284 0.000 . . . . . . . 176 K C . 51907 1 198 . 1 . 1 127 127 LYS CA C 13 55.517 0.014 . . . . . . . 176 K CA . 51907 1 199 . 1 . 1 127 127 LYS CB C 13 29.714 0.000 . . . . . . . 176 K CB . 51907 1 200 . 1 . 1 127 127 LYS N N 15 120.412 0.056 . . . . . . . 176 K N . 51907 1 201 . 1 . 1 128 128 ALA H H 1 8.459 0.006 . . . . . . . 177 A H . 51907 1 202 . 1 . 1 128 128 ALA C C 13 178.708 0.000 . . . . . . . 177 A C . 51907 1 203 . 1 . 1 128 128 ALA CA C 13 52.831 0.000 . . . . . . . 177 A CA . 51907 1 204 . 1 . 1 128 128 ALA CB C 13 15.696 0.000 . . . . . . . 177 A CB . 51907 1 205 . 1 . 1 128 128 ALA N N 15 121.362 0.047 . . . . . . . 177 A N . 51907 1 206 . 1 . 1 145 145 TRP HE1 H 1 10.045 0.000 . . . . . . . 194 W HE1 . 51907 1 207 . 1 . 1 145 145 TRP NE1 N 15 126.234 0.000 . . . . . . . 194 W NE1 . 51907 1 208 . 1 . 1 158 158 THR C C 13 173.084 0.000 . . . . . . . 207 T C . 51907 1 209 . 1 . 1 158 158 THR CA C 13 61.816 0.008 . . . . . . . 207 T CA . 51907 1 210 . 1 . 1 158 158 THR CB C 13 66.660 0.000 . . . . . . . 207 T CB . 51907 1 211 . 1 . 1 159 159 MET H H 1 6.784 0.008 . . . . . . . 208 M H . 51907 1 212 . 1 . 1 159 159 MET C C 13 175.525 0.084 . . . . . . . 208 M C . 51907 1 213 . 1 . 1 159 159 MET CA C 13 49.528 0.025 . . . . . . . 208 M CA . 51907 1 214 . 1 . 1 159 159 MET CB C 13 32.027 0.000 . . . . . . . 208 M CB . 51907 1 215 . 1 . 1 159 159 MET N N 15 116.804 0.045 . . . . . . . 208 M N . 51907 1 216 . 1 . 1 160 160 GLY H H 1 8.554 0.004 . . . . . . . 209 G H . 51907 1 217 . 1 . 1 160 160 GLY C C 13 169.267 0.033 . . . . . . . 209 G C . 51907 1 218 . 1 . 1 160 160 GLY CA C 13 43.645 0.065 . . . . . . . 209 G CA . 51907 1 219 . 1 . 1 160 160 GLY N N 15 107.872 0.048 . . . . . . . 209 G N . 51907 1 220 . 1 . 1 161 161 LEU H H 1 8.485 0.003 . . . . . . . 210 L H . 51907 1 221 . 1 . 1 161 161 LEU C C 13 177.976 0.039 . . . . . . . 210 L C . 51907 1 222 . 1 . 1 161 161 LEU CA C 13 51.353 0.042 . . . . . . . 210 L CA . 51907 1 223 . 1 . 1 161 161 LEU CB C 13 40.171 0.036 . . . . . . . 210 L CB . 51907 1 224 . 1 . 1 161 161 LEU N N 15 117.855 0.041 . . . . . . . 210 L N . 51907 1 225 . 1 . 1 162 162 GLN H H 1 8.965 0.003 . . . . . . . 211 Q H . 51907 1 226 . 1 . 1 162 162 GLN C C 13 173.327 0.038 . . . . . . . 211 Q C . 51907 1 227 . 1 . 1 162 162 GLN CA C 13 52.588 0.029 . . . . . . . 211 Q CA . 51907 1 228 . 1 . 1 162 162 GLN CB C 13 31.198 0.013 . . . . . . . 211 Q CB . 51907 1 229 . 1 . 1 162 162 GLN N N 15 122.632 0.060 . . . . . . . 211 Q N . 51907 1 230 . 1 . 1 163 163 ASN H H 1 8.957 0.004 . . . . . . . 212 N H . 51907 1 231 . 1 . 1 163 163 ASN C C 13 175.274 0.028 . . . . . . . 212 N C . 51907 1 232 . 1 . 1 163 163 ASN CA C 13 50.662 0.051 . . . . . . . 212 N CA . 51907 1 233 . 1 . 1 163 163 ASN CB C 13 36.641 0.033 . . . . . . . 212 N CB . 51907 1 234 . 1 . 1 163 163 ASN N N 15 122.335 0.051 . . . . . . . 212 N N . 51907 1 235 . 1 . 1 164 164 LEU H H 1 8.447 0.004 . . . . . . . 213 L H . 51907 1 236 . 1 . 1 164 164 LEU C C 13 177.278 0.017 . . . . . . . 213 L C . 51907 1 237 . 1 . 1 164 164 LEU CA C 13 51.936 0.037 . . . . . . . 213 L CA . 51907 1 238 . 1 . 1 164 164 LEU CB C 13 39.475 0.110 . . . . . . . 213 L CB . 51907 1 239 . 1 . 1 164 164 LEU N N 15 126.805 0.041 . . . . . . . 213 L N . 51907 1 240 . 1 . 1 165 165 SER H H 1 8.518 0.003 . . . . . . . 214 S H . 51907 1 241 . 1 . 1 165 165 SER C C 13 176.251 0.000 . . . . . . . 214 S C . 51907 1 242 . 1 . 1 165 165 SER CA C 13 57.205 0.000 . . . . . . . 214 S CA . 51907 1 243 . 1 . 1 165 165 SER CB C 13 62.581 0.000 . . . . . . . 214 S CB . 51907 1 244 . 1 . 1 165 165 SER N N 15 115.770 0.030 . . . . . . . 214 S N . 51907 1 245 . 1 . 1 166 166 GLY H H 1 8.279 0.008 . . . . . . . 215 G H . 51907 1 246 . 1 . 1 166 166 GLY C C 13 174.442 0.000 . . . . . . . 215 G C . 51907 1 247 . 1 . 1 166 166 GLY CA C 13 45.385 0.224 . . . . . . . 215 G CA . 51907 1 248 . 1 . 1 166 166 GLY N N 15 106.603 0.094 . . . . . . . 215 G N . 51907 1 249 . 1 . 1 167 167 ASP H H 1 7.855 0.007 . . . . . . . 216 D H . 51907 1 250 . 1 . 1 167 167 ASP C C 13 177.346 0.032 . . . . . . . 216 D C . 51907 1 251 . 1 . 1 167 167 ASP CA C 13 50.633 0.047 . . . . . . . 216 D CA . 51907 1 252 . 1 . 1 167 167 ASP CB C 13 38.927 0.000 . . . . . . . 216 D CB . 51907 1 253 . 1 . 1 167 167 ASP N N 15 117.105 0.034 . . . . . . . 216 D N . 51907 1 254 . 1 . 1 168 168 GLY H H 1 7.862 0.006 . . . . . . . 217 G H . 51907 1 255 . 1 . 1 168 168 GLY C C 13 174.446 0.415 . . . . . . . 217 G C . 51907 1 256 . 1 . 1 168 168 GLY CA C 13 43.608 0.071 . . . . . . . 217 G CA . 51907 1 257 . 1 . 1 168 168 GLY N N 15 109.564 0.050 . . . . . . . 217 G N . 51907 1 258 . 1 . 1 169 169 THR H H 1 8.033 0.005 . . . . . . . 218 T H . 51907 1 259 . 1 . 1 169 169 THR C C 13 175.148 0.000 . . . . . . . 218 T C . 51907 1 260 . 1 . 1 169 169 THR CA C 13 60.848 0.000 . . . . . . . 218 T CA . 51907 1 261 . 1 . 1 169 169 THR CB C 13 67.212 0.000 . . . . . . . 218 T CB . 51907 1 262 . 1 . 1 169 169 THR N N 15 113.670 0.025 . . . . . . . 218 T N . 51907 1 263 . 1 . 1 171 171 PRO C C 13 178.439 0.000 . . . . . . . 220 P C . 51907 1 264 . 1 . 1 171 171 PRO CA C 13 62.717 0.000 . . . . . . . 220 P CA . 51907 1 265 . 1 . 1 172 172 GLY H H 1 10.395 0.011 . . . . . . . 221 G H . 51907 1 266 . 1 . 1 172 172 GLY C C 13 174.949 0.053 . . . . . . . 221 G C . 51907 1 267 . 1 . 1 172 172 GLY CA C 13 44.176 0.044 . . . . . . . 221 G CA . 51907 1 268 . 1 . 1 172 172 GLY N N 15 109.825 0.046 . . . . . . . 221 G N . 51907 1 269 . 1 . 1 173 173 GLY H H 1 8.278 0.005 . . . . . . . 222 G H . 51907 1 270 . 1 . 1 173 173 GLY C C 13 172.334 0.041 . . . . . . . 222 G C . 51907 1 271 . 1 . 1 173 173 GLY CA C 13 42.819 0.034 . . . . . . . 222 G CA . 51907 1 272 . 1 . 1 173 173 GLY N N 15 108.624 0.032 . . . . . . . 222 G N . 51907 1 273 . 1 . 1 174 174 LEU H H 1 6.877 0.008 . . . . . . . 223 L H . 51907 1 274 . 1 . 1 174 174 LEU C C 13 175.209 0.044 . . . . . . . 223 L C . 51907 1 275 . 1 . 1 174 174 LEU CA C 13 53.177 0.027 . . . . . . . 223 L CA . 51907 1 276 . 1 . 1 174 174 LEU CB C 13 40.460 0.006 . . . . . . . 223 L CB . 51907 1 277 . 1 . 1 174 174 LEU N N 15 122.083 0.042 . . . . . . . 223 L N . 51907 1 278 . 1 . 1 175 175 VAL H H 1 9.025 0.004 . . . . . . . 224 V H . 51907 1 279 . 1 . 1 175 175 VAL C C 13 172.758 0.041 . . . . . . . 224 V C . 51907 1 280 . 1 . 1 175 175 VAL CA C 13 57.766 0.017 . . . . . . . 224 V CA . 51907 1 281 . 1 . 1 175 175 VAL CB C 13 32.695 0.000 . . . . . . . 224 V CB . 51907 1 282 . 1 . 1 175 175 VAL N N 15 119.780 0.030 . . . . . . . 224 V N . 51907 1 283 . 1 . 1 176 176 CYS H H 1 8.647 0.005 . . . . . . . 225 C H . 51907 1 284 . 1 . 1 176 176 CYS C C 13 172.934 0.230 . . . . . . . 225 C C . 51907 1 285 . 1 . 1 176 176 CYS CA C 13 51.827 0.026 . . . . . . . 225 C CA . 51907 1 286 . 1 . 1 176 176 CYS CB C 13 32.762 0.001 . . . . . . . 225 C CB . 51907 1 287 . 1 . 1 176 176 CYS N N 15 121.388 0.032 . . . . . . . 225 C N . 51907 1 288 . 1 . 1 177 177 THR H H 1 9.143 0.005 . . . . . . . 226 T H . 51907 1 289 . 1 . 1 177 177 THR C C 13 170.247 0.000 . . . . . . . 226 T C . 51907 1 290 . 1 . 1 177 177 THR CA C 13 57.807 0.000 . . . . . . . 226 T CA . 51907 1 291 . 1 . 1 177 177 THR CB C 13 71.186 0.000 . . . . . . . 226 T CB . 51907 1 292 . 1 . 1 177 177 THR N N 15 126.547 0.046 . . . . . . . 226 T N . 51907 1 293 . 1 . 1 178 178 PRO C C 13 178.403 0.028 . . . . . . . 227 P C . 51907 1 294 . 1 . 1 178 178 PRO CA C 13 61.399 0.017 . . . . . . . 227 P CA . 51907 1 295 . 1 . 1 178 178 PRO CB C 13 29.259 0.000 . . . . . . . 227 P CB . 51907 1 296 . 1 . 1 179 179 ILE H H 1 8.930 0.004 . . . . . . . 228 I H . 51907 1 297 . 1 . 1 179 179 ILE C C 13 176.161 0.005 . . . . . . . 228 I C . 51907 1 298 . 1 . 1 179 179 ILE CA C 13 58.846 0.006 . . . . . . . 228 I CA . 51907 1 299 . 1 . 1 179 179 ILE CB C 13 35.579 0.000 . . . . . . . 228 I CB . 51907 1 300 . 1 . 1 179 179 ILE N N 15 117.325 0.010 . . . . . . . 228 I N . 51907 1 301 . 1 . 1 180 180 VAL H H 1 6.889 0.005 . . . . . . . 229 V H . 51907 1 302 . 1 . 1 180 180 VAL C C 13 174.244 0.028 . . . . . . . 229 V C . 51907 1 303 . 1 . 1 180 180 VAL CA C 13 56.332 0.033 . . . . . . . 229 V CA . 51907 1 304 . 1 . 1 180 180 VAL CB C 13 31.735 0.035 . . . . . . . 229 V CB . 51907 1 305 . 1 . 1 180 180 VAL N N 15 111.626 0.046 . . . . . . . 229 V N . 51907 1 306 . 1 . 1 181 181 ASP H H 1 8.386 0.004 . . . . . . . 230 D H . 51907 1 307 . 1 . 1 181 181 ASP C C 13 176.123 0.046 . . . . . . . 230 D C . 51907 1 308 . 1 . 1 181 181 ASP CA C 13 51.607 0.031 . . . . . . . 230 D CA . 51907 1 309 . 1 . 1 181 181 ASP CB C 13 39.566 0.045 . . . . . . . 230 D CB . 51907 1 310 . 1 . 1 181 181 ASP N N 15 119.264 0.032 . . . . . . . 230 D N . 51907 1 311 . 1 . 1 182 182 THR H H 1 8.566 0.003 . . . . . . . 231 T H . 51907 1 312 . 1 . 1 182 182 THR C C 13 175.838 0.240 . . . . . . . 231 T C . 51907 1 313 . 1 . 1 182 182 THR CA C 13 64.564 0.022 . . . . . . . 231 T CA . 51907 1 314 . 1 . 1 182 182 THR CB C 13 66.419 0.050 . . . . . . . 231 T CB . 51907 1 315 . 1 . 1 182 182 THR N N 15 117.020 0.057 . . . . . . . 231 T N . 51907 1 316 . 1 . 1 183 183 ALA H H 1 8.423 0.004 . . . . . . . 232 A H . 51907 1 317 . 1 . 1 183 183 ALA C C 13 179.965 0.022 . . . . . . . 232 A C . 51907 1 318 . 1 . 1 183 183 ALA CA C 13 53.438 0.026 . . . . . . . 232 A CA . 51907 1 319 . 1 . 1 183 183 ALA CB C 13 15.486 0.000 . . . . . . . 232 A CB . 51907 1 320 . 1 . 1 183 183 ALA N N 15 123.743 0.036 . . . . . . . 232 A N . 51907 1 321 . 1 . 1 184 184 THR H H 1 7.924 0.004 . . . . . . . 233 T H . 51907 1 322 . 1 . 1 184 184 THR C C 13 177.803 2.060 . . . . . . . 233 T C . 51907 1 323 . 1 . 1 184 184 THR CA C 13 64.634 0.073 . . . . . . . 233 T CA . 51907 1 324 . 1 . 1 184 184 THR CB C 13 65.660 0.000 . . . . . . . 233 T CB . 51907 1 325 . 1 . 1 184 184 THR N N 15 117.517 0.061 . . . . . . . 233 T N . 51907 1 326 . 1 . 1 185 185 LEU H H 1 8.232 0.004 . . . . . . . 234 L H . 51907 1 327 . 1 . 1 185 185 LEU C C 13 177.815 0.036 . . . . . . . 234 L C . 51907 1 328 . 1 . 1 185 185 LEU CA C 13 55.425 0.024 . . . . . . . 234 L CA . 51907 1 329 . 1 . 1 185 185 LEU CB C 13 39.212 0.066 . . . . . . . 234 L CB . 51907 1 330 . 1 . 1 185 185 LEU N N 15 121.764 0.039 . . . . . . . 234 L N . 51907 1 331 . 1 . 1 186 186 ARG H H 1 8.850 0.005 . . . . . . . 235 R H . 51907 1 332 . 1 . 1 186 186 ARG C C 13 177.413 0.034 . . . . . . . 235 R C . 51907 1 333 . 1 . 1 186 186 ARG CA C 13 58.342 0.029 . . . . . . . 235 R CA . 51907 1 334 . 1 . 1 186 186 ARG CB C 13 27.757 0.125 . . . . . . . 235 R CB . 51907 1 335 . 1 . 1 186 186 ARG N N 15 117.730 0.051 . . . . . . . 235 R N . 51907 1 336 . 1 . 1 187 187 VAL H H 1 7.317 0.005 . . . . . . . 236 V H . 51907 1 337 . 1 . 1 187 187 VAL C C 13 177.312 0.038 . . . . . . . 236 V C . 51907 1 338 . 1 . 1 187 187 VAL CA C 13 64.518 0.315 . . . . . . . 236 V CA . 51907 1 339 . 1 . 1 187 187 VAL CB C 13 29.196 0.000 . . . . . . . 236 V CB . 51907 1 340 . 1 . 1 187 187 VAL N N 15 118.006 0.043 . . . . . . . 236 V N . 51907 1 341 . 1 . 1 188 188 VAL H H 1 7.575 0.010 . . . . . . . 237 V H . 51907 1 342 . 1 . 1 188 188 VAL C C 13 178.482 0.000 . . . . . . . 237 V C . 51907 1 343 . 1 . 1 188 188 VAL CA C 13 61.099 3.856 . . . . . . . 237 V CA . 51907 1 344 . 1 . 1 188 188 VAL CB C 13 29.403 0.082 . . . . . . . 237 V CB . 51907 1 345 . 1 . 1 188 188 VAL N N 15 119.619 0.089 . . . . . . . 237 V N . 51907 1 346 . 1 . 1 221 221 GLN C C 13 176.717 0.000 . . . . . . . 270 Q C . 51907 1 347 . 1 . 1 221 221 GLN CA C 13 54.462 0.000 . . . . . . . 270 Q CA . 51907 1 348 . 1 . 1 221 221 GLN CB C 13 27.843 0.000 . . . . . . . 270 Q CB . 51907 1 349 . 1 . 1 222 222 ALA H H 1 8.219 0.005 . . . . . . . 271 A H . 51907 1 350 . 1 . 1 222 222 ALA C C 13 180.594 0.000 . . . . . . . 271 A C . 51907 1 351 . 1 . 1 222 222 ALA CA C 13 53.132 0.000 . . . . . . . 271 A CA . 51907 1 352 . 1 . 1 222 222 ALA CB C 13 15.935 0.000 . . . . . . . 271 A CB . 51907 1 353 . 1 . 1 222 222 ALA N N 15 121.696 0.049 . . . . . . . 271 A N . 51907 1 354 . 1 . 1 245 245 THR C C 13 174.085 0.000 . . . . . . . 294 T C . 51907 1 355 . 1 . 1 245 245 THR CA C 13 60.567 0.000 . . . . . . . 294 T CA . 51907 1 356 . 1 . 1 245 245 THR CB C 13 67.306 0.000 . . . . . . . 294 T CB . 51907 1 357 . 1 . 1 246 246 ILE H H 1 7.694 0.005 . . . . . . . 295 I H . 51907 1 358 . 1 . 1 246 246 ILE C C 13 174.528 0.034 . . . . . . . 295 I C . 51907 1 359 . 1 . 1 246 246 ILE CA C 13 58.283 0.024 . . . . . . . 295 I CA . 51907 1 360 . 1 . 1 246 246 ILE CB C 13 36.486 0.031 . . . . . . . 295 I CB . 51907 1 361 . 1 . 1 246 246 ILE N N 15 122.173 0.009 . . . . . . . 295 I N . 51907 1 362 . 1 . 1 247 247 GLU H H 1 8.592 0.003 . . . . . . . 296 E H . 51907 1 363 . 1 . 1 247 247 GLU C C 13 175.308 0.000 . . . . . . . 296 E C . 51907 1 364 . 1 . 1 247 247 GLU CA C 13 52.919 0.000 . . . . . . . 296 E CA . 51907 1 365 . 1 . 1 247 247 GLU CB C 13 26.943 0.000 . . . . . . . 296 E CB . 51907 1 366 . 1 . 1 247 247 GLU N N 15 127.162 0.042 . . . . . . . 296 E N . 51907 1 367 . 1 . 1 248 248 PRO C C 13 177.920 0.000 . . . . . . . 297 P C . 51907 1 368 . 1 . 1 248 248 PRO CA C 13 64.857 0.000 . . . . . . . 297 P CA . 51907 1 369 . 1 . 1 248 248 PRO CB C 13 28.546 0.000 . . . . . . . 297 P CB . 51907 1 370 . 1 . 1 249 249 GLY H H 1 8.672 0.003 . . . . . . . 298 G H . 51907 1 371 . 1 . 1 249 249 GLY CA C 13 45.741 0.017 . . . . . . . 298 G CA . 51907 1 372 . 1 . 1 249 249 GLY N N 15 105.378 0.032 . . . . . . . 298 G N . 51907 1 373 . 1 . 1 281 281 MET C C 13 176.911 0.049 . . . . . . . 330 M C . 51907 1 374 . 1 . 1 281 281 MET CA C 13 58.259 0.007 . . . . . . . 330 M CA . 51907 1 375 . 1 . 1 282 282 PHE H H 1 8.305 0.005 . . . . . . . 331 F H . 51907 1 376 . 1 . 1 282 282 PHE C C 13 176.563 0.034 . . . . . . . 331 F C . 51907 1 377 . 1 . 1 282 282 PHE CA C 13 60.248 0.038 . . . . . . . 331 F CA . 51907 1 378 . 1 . 1 282 282 PHE CB C 13 37.331 0.000 . . . . . . . 331 F CB . 51907 1 379 . 1 . 1 282 282 PHE N N 15 117.339 0.053 . . . . . . . 331 F N . 51907 1 380 . 1 . 1 283 283 VAL H H 1 7.497 0.004 . . . . . . . 332 V H . 51907 1 381 . 1 . 1 283 283 VAL C C 13 176.533 0.004 . . . . . . . 332 V C . 51907 1 382 . 1 . 1 283 283 VAL CA C 13 59.637 0.021 . . . . . . . 332 V CA . 51907 1 383 . 1 . 1 283 283 VAL CB C 13 30.197 0.000 . . . . . . . 332 V CB . 51907 1 384 . 1 . 1 283 283 VAL N N 15 105.006 0.047 . . . . . . . 332 V N . 51907 1 385 . 1 . 1 284 284 TYR H H 1 8.672 0.004 . . . . . . . 333 Y H . 51907 1 386 . 1 . 1 284 284 TYR C C 13 176.358 0.027 . . . . . . . 333 Y C . 51907 1 387 . 1 . 1 284 284 TYR CA C 13 58.924 0.019 . . . . . . . 333 Y CA . 51907 1 388 . 1 . 1 284 284 TYR CB C 13 37.175 0.094 . . . . . . . 333 Y CB . 51907 1 389 . 1 . 1 284 284 TYR N N 15 120.633 0.029 . . . . . . . 333 Y N . 51907 1 390 . 1 . 1 285 285 ILE H H 1 7.580 0.004 . . . . . . . 334 I H . 51907 1 391 . 1 . 1 285 285 ILE C C 13 176.388 0.045 . . . . . . . 334 I C . 51907 1 392 . 1 . 1 285 285 ILE CA C 13 59.944 0.015 . . . . . . . 334 I CA . 51907 1 393 . 1 . 1 285 285 ILE CB C 13 33.709 0.008 . . . . . . . 334 I CB . 51907 1 394 . 1 . 1 285 285 ILE N N 15 120.918 0.046 . . . . . . . 334 I N . 51907 1 395 . 1 . 1 286 286 SER H H 1 8.550 0.004 . . . . . . . 335 S H . 51907 1 396 . 1 . 1 286 286 SER C C 13 175.111 0.030 . . . . . . . 335 S C . 51907 1 397 . 1 . 1 286 286 SER CA C 13 56.709 0.015 . . . . . . . 335 S CA . 51907 1 398 . 1 . 1 286 286 SER CB C 13 61.935 0.010 . . . . . . . 335 S CB . 51907 1 399 . 1 . 1 286 286 SER N N 15 126.237 0.039 . . . . . . . 335 S N . 51907 1 400 . 1 . 1 287 287 ASP H H 1 8.685 0.004 . . . . . . . 336 D H . 51907 1 401 . 1 . 1 287 287 ASP C C 13 177.734 0.049 . . . . . . . 336 D C . 51907 1 402 . 1 . 1 287 287 ASP CA C 13 56.918 0.049 . . . . . . . 336 D CA . 51907 1 403 . 1 . 1 287 287 ASP CB C 13 38.661 0.000 . . . . . . . 336 D CB . 51907 1 404 . 1 . 1 287 287 ASP N N 15 121.506 0.049 . . . . . . . 336 D N . 51907 1 405 . 1 . 1 288 288 GLU H H 1 9.098 0.005 . . . . . . . 337 E H . 51907 1 406 . 1 . 1 288 288 GLU C C 13 176.845 0.040 . . . . . . . 337 E C . 51907 1 407 . 1 . 1 288 288 GLU CA C 13 56.192 0.052 . . . . . . . 337 E CA . 51907 1 408 . 1 . 1 288 288 GLU CB C 13 26.221 0.011 . . . . . . . 337 E CB . 51907 1 409 . 1 . 1 288 288 GLU N N 15 116.357 0.036 . . . . . . . 337 E N . 51907 1 410 . 1 . 1 289 289 GLN H H 1 7.881 0.005 . . . . . . . 338 Q H . 51907 1 411 . 1 . 1 289 289 GLN C C 13 176.213 0.047 . . . . . . . 338 Q C . 51907 1 412 . 1 . 1 289 289 GLN CA C 13 53.707 0.031 . . . . . . . 338 Q CA . 51907 1 413 . 1 . 1 289 289 GLN CB C 13 27.355 0.023 . . . . . . . 338 Q CB . 51907 1 414 . 1 . 1 289 289 GLN N N 15 117.580 0.033 . . . . . . . 338 Q N . 51907 1 415 . 1 . 1 290 290 TRP H H 1 7.339 0.005 . . . . . . . 339 W H . 51907 1 416 . 1 . 1 290 290 TRP HE1 H 1 9.183 0.000 . . . . . . . 339 W HE1 . 51907 1 417 . 1 . 1 290 290 TRP C C 13 175.728 0.033 . . . . . . . 339 W C . 51907 1 418 . 1 . 1 290 290 TRP CA C 13 56.349 0.025 . . . . . . . 339 W CA . 51907 1 419 . 1 . 1 290 290 TRP CB C 13 25.167 0.034 . . . . . . . 339 W CB . 51907 1 420 . 1 . 1 290 290 TRP N N 15 119.608 0.049 . . . . . . . 339 W N . 51907 1 421 . 1 . 1 290 290 TRP NE1 N 15 128.559 0.000 . . . . . . . 339 W NE1 . 51907 1 422 . 1 . 1 291 291 THR H H 1 7.349 0.004 . . . . . . . 340 T H . 51907 1 423 . 1 . 1 291 291 THR C C 13 175.308 0.000 . . . . . . . 340 T C . 51907 1 424 . 1 . 1 291 291 THR CA C 13 57.662 0.000 . . . . . . . 340 T CA . 51907 1 425 . 1 . 1 291 291 THR CB C 13 69.683 0.000 . . . . . . . 340 T CB . 51907 1 426 . 1 . 1 291 291 THR N N 15 115.035 0.032 . . . . . . . 340 T N . 51907 1 427 . 1 . 1 292 292 THR H H 1 7.996 0.000 . . . . . . . 341 T H . 51907 1 428 . 1 . 1 292 292 THR C C 13 178.247 0.031 . . . . . . . 341 T C . 51907 1 429 . 1 . 1 292 292 THR CA C 13 56.838 0.012 . . . . . . . 341 T CA . 51907 1 430 . 1 . 1 292 292 THR N N 15 116.840 0.000 . . . . . . . 341 T N . 51907 1 431 . 1 . 1 293 293 ALA H H 1 7.741 0.007 . . . . . . . 342 A H . 51907 1 432 . 1 . 1 293 293 ALA C C 13 179.990 0.127 . . . . . . . 342 A C . 51907 1 433 . 1 . 1 293 293 ALA CA C 13 53.044 0.011 . . . . . . . 342 A CA . 51907 1 434 . 1 . 1 293 293 ALA CB C 13 15.837 0.134 . . . . . . . 342 A CB . 51907 1 435 . 1 . 1 293 293 ALA N N 15 122.066 0.046 . . . . . . . 342 A N . 51907 1 436 . 1 . 1 294 294 LEU H H 1 8.015 0.004 . . . . . . . 343 L H . 51907 1 437 . 1 . 1 294 294 LEU C C 13 178.932 0.065 . . . . . . . 343 L C . 51907 1 438 . 1 . 1 294 294 LEU CA C 13 55.913 0.053 . . . . . . . 343 L CA . 51907 1 439 . 1 . 1 294 294 LEU CB C 13 39.824 0.013 . . . . . . . 343 L CB . 51907 1 440 . 1 . 1 294 294 LEU N N 15 121.217 0.040 . . . . . . . 343 L N . 51907 1 441 . 1 . 1 295 295 PHE H H 1 9.260 0.004 . . . . . . . 344 F H . 51907 1 442 . 1 . 1 295 295 PHE C C 13 178.730 0.009 . . . . . . . 344 F C . 51907 1 443 . 1 . 1 295 295 PHE CA C 13 60.772 0.043 . . . . . . . 344 F CA . 51907 1 444 . 1 . 1 295 295 PHE CB C 13 37.021 0.000 . . . . . . . 344 F CB . 51907 1 445 . 1 . 1 295 295 PHE N N 15 123.485 0.029 . . . . . . . 344 F N . 51907 1 446 . 1 . 1 296 296 ASP H H 1 9.358 0.005 . . . . . . . 345 D H . 51907 1 447 . 1 . 1 296 296 ASP C C 13 179.818 0.021 . . . . . . . 345 D C . 51907 1 448 . 1 . 1 296 296 ASP CA C 13 55.639 0.017 . . . . . . . 345 D CA . 51907 1 449 . 1 . 1 296 296 ASP CB C 13 37.410 0.000 . . . . . . . 345 D CB . 51907 1 450 . 1 . 1 296 296 ASP N N 15 123.396 0.041 . . . . . . . 345 D N . 51907 1 451 . 1 . 1 297 297 PHE H H 1 8.911 0.003 . . . . . . . 346 F H . 51907 1 452 . 1 . 1 297 297 PHE C C 13 176.969 0.034 . . . . . . . 346 F C . 51907 1 453 . 1 . 1 297 297 PHE CA C 13 59.948 0.044 . . . . . . . 346 F CA . 51907 1 454 . 1 . 1 297 297 PHE CB C 13 36.723 0.000 . . . . . . . 346 F CB . 51907 1 455 . 1 . 1 297 297 PHE N N 15 122.350 0.045 . . . . . . . 346 F N . 51907 1 456 . 1 . 1 298 298 TYR H H 1 9.409 0.004 . . . . . . . 347 Y H . 51907 1 457 . 1 . 1 298 298 TYR C C 13 176.452 0.028 . . . . . . . 347 Y C . 51907 1 458 . 1 . 1 298 298 TYR CA C 13 60.745 0.000 . . . . . . . 347 Y CA . 51907 1 459 . 1 . 1 298 298 TYR CB C 13 36.562 0.000 . . . . . . . 347 Y CB . 51907 1 460 . 1 . 1 298 298 TYR N N 15 120.225 0.042 . . . . . . . 347 Y N . 51907 1 461 . 1 . 1 299 299 HIS H H 1 7.454 0.005 . . . . . . . 348 H H . 51907 1 462 . 1 . 1 299 299 HIS C C 13 178.282 0.013 . . . . . . . 348 H C . 51907 1 463 . 1 . 1 299 299 HIS CA C 13 61.025 0.012 . . . . . . . 348 H CA . 51907 1 464 . 1 . 1 299 299 HIS CB C 13 25.408 0.069 . . . . . . . 348 H CB . 51907 1 465 . 1 . 1 299 299 HIS N N 15 115.454 0.042 . . . . . . . 348 H N . 51907 1 466 . 1 . 1 300 300 TYR H H 1 7.758 0.006 . . . . . . . 349 Y H . 51907 1 467 . 1 . 1 300 300 TYR C C 13 177.660 0.067 . . . . . . . 349 Y C . 51907 1 468 . 1 . 1 300 300 TYR CA C 13 60.727 0.051 . . . . . . . 349 Y CA . 51907 1 469 . 1 . 1 300 300 TYR CB C 13 36.013 0.000 . . . . . . . 349 Y CB . 51907 1 470 . 1 . 1 300 300 TYR N N 15 122.105 0.047 . . . . . . . 349 Y N . 51907 1 471 . 1 . 1 301 301 PHE H H 1 9.166 0.004 . . . . . . . 350 F H . 51907 1 472 . 1 . 1 301 301 PHE C C 13 179.478 0.027 . . . . . . . 350 F C . 51907 1 473 . 1 . 1 301 301 PHE CA C 13 57.651 0.030 . . . . . . . 350 F CA . 51907 1 474 . 1 . 1 301 301 PHE CB C 13 36.104 0.000 . . . . . . . 350 F CB . 51907 1 475 . 1 . 1 301 301 PHE N N 15 121.711 0.038 . . . . . . . 350 F N . 51907 1 476 . 1 . 1 302 302 TYR H H 1 9.099 0.005 . . . . . . . 351 Y H . 51907 1 477 . 1 . 1 302 302 TYR C C 13 174.993 0.027 . . . . . . . 351 Y C . 51907 1 478 . 1 . 1 302 302 TYR CA C 13 59.682 0.064 . . . . . . . 351 Y CA . 51907 1 479 . 1 . 1 302 302 TYR CB C 13 35.578 0.023 . . . . . . . 351 Y CB . 51907 1 480 . 1 . 1 302 302 TYR N N 15 123.749 0.043 . . . . . . . 351 Y N . 51907 1 481 . 1 . 1 303 303 MET H H 1 7.035 0.006 . . . . . . . 352 M H . 51907 1 482 . 1 . 1 303 303 MET C C 13 176.510 0.061 . . . . . . . 352 M C . 51907 1 483 . 1 . 1 303 303 MET CA C 13 57.933 0.024 . . . . . . . 352 M CA . 51907 1 484 . 1 . 1 303 303 MET CB C 13 30.962 0.034 . . . . . . . 352 M CB . 51907 1 485 . 1 . 1 303 303 MET N N 15 116.644 0.040 . . . . . . . 352 M N . 51907 1 486 . 1 . 1 304 304 LEU H H 1 7.092 0.007 . . . . . . . 353 L H . 51907 1 487 . 1 . 1 304 304 LEU C C 13 176.556 0.000 . . . . . . . 353 L C . 51907 1 488 . 1 . 1 304 304 LEU CA C 13 55.689 0.000 . . . . . . . 353 L CA . 51907 1 489 . 1 . 1 304 304 LEU CB C 13 40.136 0.000 . . . . . . . 353 L CB . 51907 1 490 . 1 . 1 304 304 LEU N N 15 115.546 0.023 . . . . . . . 353 L N . 51907 1 491 . 1 . 1 324 324 SER CA C 13 55.442 0.000 . . . . . . . 373 S CA . 51907 1 492 . 1 . 1 325 325 ALA H H 1 7.973 0.005 . . . . . . . 374 A H . 51907 1 493 . 1 . 1 325 325 ALA C C 13 177.973 0.045 . . . . . . . 374 A C . 51907 1 494 . 1 . 1 325 325 ALA CA C 13 51.391 0.036 . . . . . . . 374 A CA . 51907 1 495 . 1 . 1 325 325 ALA CB C 13 16.045 0.028 . . . . . . . 374 A CB . 51907 1 496 . 1 . 1 325 325 ALA N N 15 119.911 0.036 . . . . . . . 374 A N . 51907 1 497 . 1 . 1 326 326 ASN H H 1 7.766 0.004 . . . . . . . 375 N H . 51907 1 498 . 1 . 1 326 326 ASN C C 13 175.454 0.000 . . . . . . . 375 N C . 51907 1 499 . 1 . 1 326 326 ASN CA C 13 56.113 0.000 . . . . . . . 375 N CA . 51907 1 500 . 1 . 1 326 326 ASN CB C 13 36.906 0.000 . . . . . . . 375 N CB . 51907 1 501 . 1 . 1 326 326 ASN N N 15 116.329 0.025 . . . . . . . 375 N N . 51907 1 502 . 1 . 1 335 335 LEU CA C 13 53.540 1.942 . . . . . . . 384 L CA . 51907 1 503 . 1 . 1 335 335 LEU CB C 13 39.059 0.000 . . . . . . . 384 L CB . 51907 1 504 . 1 . 1 336 336 ALA H H 1 7.994 0.007 . . . . . . . 385 A H . 51907 1 505 . 1 . 1 336 336 ALA C C 13 178.674 0.042 . . . . . . . 385 A C . 51907 1 506 . 1 . 1 336 336 ALA CA C 13 51.935 0.066 . . . . . . . 385 A CA . 51907 1 507 . 1 . 1 336 336 ALA CB C 13 16.028 0.011 . . . . . . . 385 A CB . 51907 1 508 . 1 . 1 336 336 ALA N N 15 119.901 0.048 . . . . . . . 385 A N . 51907 1 509 . 1 . 1 337 337 CYS H H 1 7.630 0.009 . . . . . . . 386 C H . 51907 1 510 . 1 . 1 337 337 CYS C C 13 176.875 0.000 . . . . . . . 386 C C . 51907 1 511 . 1 . 1 337 337 CYS CA C 13 54.558 0.000 . . . . . . . 386 C CA . 51907 1 512 . 1 . 1 337 337 CYS N N 15 116.761 0.064 . . . . . . . 386 C N . 51907 1 513 . 1 . 1 342 342 THR CA C 13 60.880 0.151 . . . . . . . 391 T CA . 51907 1 514 . 1 . 1 343 343 ARG H H 1 8.296 0.008 . . . . . . . 392 R H . 51907 1 515 . 1 . 1 343 343 ARG C C 13 176.464 0.452 . . . . . . . 392 R C . 51907 1 516 . 1 . 1 343 343 ARG CA C 13 55.492 0.042 . . . . . . . 392 R CA . 51907 1 517 . 1 . 1 343 343 ARG CB C 13 27.813 0.000 . . . . . . . 392 R CB . 51907 1 518 . 1 . 1 343 343 ARG N N 15 123.430 0.026 . . . . . . . 392 R N . 51907 1 519 . 1 . 1 344 344 GLU H H 1 8.433 0.003 . . . . . . . 393 E H . 51907 1 520 . 1 . 1 344 344 GLU C C 13 176.906 0.006 . . . . . . . 393 E C . 51907 1 521 . 1 . 1 344 344 GLU CA C 13 55.700 0.033 . . . . . . . 393 E CA . 51907 1 522 . 1 . 1 344 344 GLU CB C 13 27.029 0.033 . . . . . . . 393 E CB . 51907 1 523 . 1 . 1 344 344 GLU N N 15 119.284 0.041 . . . . . . . 393 E N . 51907 1 524 . 1 . 1 345 345 LEU H H 1 7.912 0.003 . . . . . . . 394 L H . 51907 1 525 . 1 . 1 345 345 LEU C C 13 177.318 0.017 . . . . . . . 394 L C . 51907 1 526 . 1 . 1 345 345 LEU CA C 13 53.949 0.024 . . . . . . . 394 L CA . 51907 1 527 . 1 . 1 345 345 LEU CB C 13 39.487 0.017 . . . . . . . 394 L CB . 51907 1 528 . 1 . 1 345 345 LEU N N 15 119.884 0.056 . . . . . . . 394 L N . 51907 1 529 . 1 . 1 346 346 GLU H H 1 8.124 0.003 . . . . . . . 395 E H . 51907 1 530 . 1 . 1 346 346 GLU C C 13 177.340 0.019 . . . . . . . 395 E C . 51907 1 531 . 1 . 1 346 346 GLU CA C 13 56.328 0.014 . . . . . . . 395 E CA . 51907 1 532 . 1 . 1 346 346 GLU CB C 13 27.358 0.046 . . . . . . . 395 E CB . 51907 1 533 . 1 . 1 346 346 GLU N N 15 119.419 0.049 . . . . . . . 395 E N . 51907 1 534 . 1 . 1 347 347 VAL H H 1 7.637 0.003 . . . . . . . 396 V H . 51907 1 535 . 1 . 1 347 347 VAL C C 13 176.213 0.032 . . . . . . . 396 V C . 51907 1 536 . 1 . 1 347 347 VAL CA C 13 60.934 0.016 . . . . . . . 396 V CA . 51907 1 537 . 1 . 1 347 347 VAL CB C 13 29.415 0.038 . . . . . . . 396 V CB . 51907 1 538 . 1 . 1 347 347 VAL N N 15 116.842 0.030 . . . . . . . 396 V N . 51907 1 539 . 1 . 1 348 348 LEU H H 1 7.760 0.004 . . . . . . . 397 L H . 51907 1 540 . 1 . 1 348 348 LEU C C 13 176.624 0.041 . . . . . . . 397 L C . 51907 1 541 . 1 . 1 348 348 LEU CA C 13 53.818 0.025 . . . . . . . 397 L CA . 51907 1 542 . 1 . 1 348 348 LEU CB C 13 39.594 0.007 . . . . . . . 397 L CB . 51907 1 543 . 1 . 1 348 348 LEU N N 15 121.638 0.026 . . . . . . . 397 L N . 51907 1 544 . 1 . 1 349 349 PHE H H 1 7.760 0.002 . . . . . . . 398 F H . 51907 1 545 . 1 . 1 349 349 PHE C C 13 174.331 0.038 . . . . . . . 398 F C . 51907 1 546 . 1 . 1 349 349 PHE CA C 13 55.252 0.024 . . . . . . . 398 F CA . 51907 1 547 . 1 . 1 349 349 PHE CB C 13 36.990 0.005 . . . . . . . 398 F CB . 51907 1 548 . 1 . 1 349 349 PHE N N 15 117.233 0.047 . . . . . . . 398 F N . 51907 1 549 . 1 . 1 350 350 GLN H H 1 7.538 0.006 . . . . . . . 399 Q H . 51907 1 550 . 1 . 1 350 350 GLN C C 13 180.023 0.000 . . . . . . . 399 Q C . 51907 1 551 . 1 . 1 350 350 GLN CA C 13 55.401 0.000 . . . . . . . 399 Q CA . 51907 1 552 . 1 . 1 350 350 GLN CB C 13 27.884 0.000 . . . . . . . 399 Q CB . 51907 1 553 . 1 . 1 350 350 GLN N N 15 125.289 0.042 . . . . . . . 399 Q N . 51907 1 stop_ save_