data_28036 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28036 _Entry.Title ; Shaker-VSD(S2bot_mutant) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-11-04 _Entry.Accession_date 2019-11-04 _Entry.Last_release_date 2019-11-04 _Entry.Original_release_date 2019-11-04 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 Hongbo Chen . . . . 28036 2 Baron Chanda . . . . 28036 3 Katherine Henzler-Wildman . . . . 28036 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 28036 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 510 28036 '15N chemical shifts' 155 28036 '1H chemical shifts' 155 28036 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 1 . . 2020-01-10 . original BMRB . 28036 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28036 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; 1H, 15N and 13C backbone chemical shift assignment of Shaker-VSD(S2bot_mutant) ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _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 Hongbo Chen . . . . 28036 1 2 Baron Chanda . . . . 28036 1 3 Katherine Henzler-Wildman . . . . 28036 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28036 _Assembly.ID 1 _Assembly.Name 'Shaker-VSD(S2bot_mutant) monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Shaker-VSD(S2bot_mutant) 1 $Shaker-VSD(S2bot_mutant) A . yes native no yes . . . 28036 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Shaker-VSD(S2bot_mutant) _Entity.Sf_category entity _Entity.Sf_framecode Shaker-VSD(S2bot_mutant) _Entity.Entry_ID 28036 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Shaker-VSD(S2bot_mutant) _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 ; GGGGFEYPESSQAARVVAII SVFVILLSIVIFCLETLPEF KHYKVFNTTTNGTKIEEDEV PDITDPFFLIETLCIIWFTF ELTVRFLACPNKLNFCRDVM NVIDIIAIIPYFITLATVVA EEEDTLNLPKAPVSPQDKSS NQAMSLAILRVIRLVRSSRI FKLSRHSKGLQILGRTLKAS MRELG ; _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 185 _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_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 1 213 GLY . 28036 1 2 214 GLY . 28036 1 3 215 GLY . 28036 1 4 216 GLY . 28036 1 5 217 PHE . 28036 1 6 218 GLU . 28036 1 7 219 TYR . 28036 1 8 220 PRO . 28036 1 9 221 GLU . 28036 1 10 222 SER . 28036 1 11 223 SER . 28036 1 12 224 GLN . 28036 1 13 225 ALA . 28036 1 14 226 ALA . 28036 1 15 227 ARG . 28036 1 16 228 VAL . 28036 1 17 229 VAL . 28036 1 18 230 ALA . 28036 1 19 231 ILE . 28036 1 20 232 ILE . 28036 1 21 233 SER . 28036 1 22 234 VAL . 28036 1 23 235 PHE . 28036 1 24 236 VAL . 28036 1 25 237 ILE . 28036 1 26 238 LEU . 28036 1 27 239 LEU . 28036 1 28 240 SER . 28036 1 29 241 ILE . 28036 1 30 242 VAL . 28036 1 31 243 ILE . 28036 1 32 244 PHE . 28036 1 33 245 CYS . 28036 1 34 246 LEU . 28036 1 35 247 GLU . 28036 1 36 248 THR . 28036 1 37 249 LEU . 28036 1 38 250 PRO . 28036 1 39 251 GLU . 28036 1 40 252 PHE . 28036 1 41 253 LYS . 28036 1 42 254 HIS . 28036 1 43 255 TYR . 28036 1 44 256 LYS . 28036 1 45 257 VAL . 28036 1 46 258 PHE . 28036 1 47 259 ASN . 28036 1 48 260 THR . 28036 1 49 261 THR . 28036 1 50 262 THR . 28036 1 51 263 ASN . 28036 1 52 264 GLY . 28036 1 53 265 THR . 28036 1 54 266 LYS . 28036 1 55 267 ILE . 28036 1 56 268 GLU . 28036 1 57 269 GLU . 28036 1 58 270 ASP . 28036 1 59 271 GLU . 28036 1 60 272 VAL . 28036 1 61 273 PRO . 28036 1 62 274 ASP . 28036 1 63 275 ILE . 28036 1 64 276 THR . 28036 1 65 277 ASP . 28036 1 66 278 PRO . 28036 1 67 279 PHE . 28036 1 68 280 PHE . 28036 1 69 281 LEU . 28036 1 70 282 ILE . 28036 1 71 283 GLU . 28036 1 72 284 THR . 28036 1 73 285 LEU . 28036 1 74 286 CYS . 28036 1 75 287 ILE . 28036 1 76 288 ILE . 28036 1 77 289 TRP . 28036 1 78 290 PHE . 28036 1 79 291 THR . 28036 1 80 292 PHE . 28036 1 81 293 GLU . 28036 1 82 294 LEU . 28036 1 83 295 THR . 28036 1 84 296 VAL . 28036 1 85 297 ARG . 28036 1 86 298 PHE . 28036 1 87 299 LEU . 28036 1 88 300 ALA . 28036 1 89 301 CYS . 28036 1 90 302 PRO . 28036 1 91 303 ASN . 28036 1 92 304 LYS . 28036 1 93 305 LEU . 28036 1 94 306 ASN . 28036 1 95 307 PHE . 28036 1 96 308 CYS . 28036 1 97 309 ARG . 28036 1 98 310 ASP . 28036 1 99 311 VAL . 28036 1 100 312 MET . 28036 1 101 313 ASN . 28036 1 102 314 VAL . 28036 1 103 315 ILE . 28036 1 104 316 ASP . 28036 1 105 317 ILE . 28036 1 106 318 ILE . 28036 1 107 319 ALA . 28036 1 108 320 ILE . 28036 1 109 321 ILE . 28036 1 110 322 PRO . 28036 1 111 323 TYR . 28036 1 112 324 PHE . 28036 1 113 325 ILE . 28036 1 114 326 THR . 28036 1 115 327 LEU . 28036 1 116 328 ALA . 28036 1 117 329 THR . 28036 1 118 330 VAL . 28036 1 119 331 VAL . 28036 1 120 332 ALA . 28036 1 121 333 GLU . 28036 1 122 334 GLU . 28036 1 123 335 GLU . 28036 1 124 336 ASP . 28036 1 125 337 THR . 28036 1 126 338 LEU . 28036 1 127 339 ASN . 28036 1 128 340 LEU . 28036 1 129 341 PRO . 28036 1 130 342 LYS . 28036 1 131 343 ALA . 28036 1 132 344 PRO . 28036 1 133 345 VAL . 28036 1 134 346 SER . 28036 1 135 347 PRO . 28036 1 136 348 GLN . 28036 1 137 349 ASP . 28036 1 138 350 LYS . 28036 1 139 351 SER . 28036 1 140 352 SER . 28036 1 141 353 ASN . 28036 1 142 354 GLN . 28036 1 143 355 ALA . 28036 1 144 356 MET . 28036 1 145 357 SER . 28036 1 146 358 LEU . 28036 1 147 359 ALA . 28036 1 148 360 ILE . 28036 1 149 361 LEU . 28036 1 150 362 ARG . 28036 1 151 363 VAL . 28036 1 152 364 ILE . 28036 1 153 365 ARG . 28036 1 154 366 LEU . 28036 1 155 367 VAL . 28036 1 156 368 ARG . 28036 1 157 369 SER . 28036 1 158 370 SER . 28036 1 159 371 ARG . 28036 1 160 372 ILE . 28036 1 161 373 PHE . 28036 1 162 374 LYS . 28036 1 163 375 LEU . 28036 1 164 376 SER . 28036 1 165 377 ARG . 28036 1 166 378 HIS . 28036 1 167 379 SER . 28036 1 168 380 LYS . 28036 1 169 381 GLY . 28036 1 170 382 LEU . 28036 1 171 383 GLN . 28036 1 172 384 ILE . 28036 1 173 385 LEU . 28036 1 174 386 GLY . 28036 1 175 387 ARG . 28036 1 176 388 THR . 28036 1 177 389 LEU . 28036 1 178 390 LYS . 28036 1 179 391 ALA . 28036 1 180 392 SER . 28036 1 181 393 MET . 28036 1 182 394 ARG . 28036 1 183 395 GLU . 28036 1 184 396 LEU . 28036 1 185 397 GLY . 28036 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 28036 1 . GLY 2 2 28036 1 . GLY 3 3 28036 1 . GLY 4 4 28036 1 . PHE 5 5 28036 1 . GLU 6 6 28036 1 . TYR 7 7 28036 1 . PRO 8 8 28036 1 . GLU 9 9 28036 1 . SER 10 10 28036 1 . SER 11 11 28036 1 . GLN 12 12 28036 1 . ALA 13 13 28036 1 . ALA 14 14 28036 1 . ARG 15 15 28036 1 . VAL 16 16 28036 1 . VAL 17 17 28036 1 . ALA 18 18 28036 1 . ILE 19 19 28036 1 . ILE 20 20 28036 1 . SER 21 21 28036 1 . VAL 22 22 28036 1 . PHE 23 23 28036 1 . VAL 24 24 28036 1 . ILE 25 25 28036 1 . LEU 26 26 28036 1 . LEU 27 27 28036 1 . SER 28 28 28036 1 . ILE 29 29 28036 1 . VAL 30 30 28036 1 . ILE 31 31 28036 1 . PHE 32 32 28036 1 . CYS 33 33 28036 1 . LEU 34 34 28036 1 . GLU 35 35 28036 1 . THR 36 36 28036 1 . LEU 37 37 28036 1 . PRO 38 38 28036 1 . GLU 39 39 28036 1 . PHE 40 40 28036 1 . LYS 41 41 28036 1 . HIS 42 42 28036 1 . TYR 43 43 28036 1 . LYS 44 44 28036 1 . VAL 45 45 28036 1 . PHE 46 46 28036 1 . ASN 47 47 28036 1 . THR 48 48 28036 1 . THR 49 49 28036 1 . THR 50 50 28036 1 . ASN 51 51 28036 1 . GLY 52 52 28036 1 . THR 53 53 28036 1 . LYS 54 54 28036 1 . ILE 55 55 28036 1 . GLU 56 56 28036 1 . GLU 57 57 28036 1 . ASP 58 58 28036 1 . GLU 59 59 28036 1 . VAL 60 60 28036 1 . PRO 61 61 28036 1 . ASP 62 62 28036 1 . ILE 63 63 28036 1 . THR 64 64 28036 1 . ASP 65 65 28036 1 . PRO 66 66 28036 1 . PHE 67 67 28036 1 . PHE 68 68 28036 1 . LEU 69 69 28036 1 . ILE 70 70 28036 1 . GLU 71 71 28036 1 . THR 72 72 28036 1 . LEU 73 73 28036 1 . CYS 74 74 28036 1 . ILE 75 75 28036 1 . ILE 76 76 28036 1 . TRP 77 77 28036 1 . PHE 78 78 28036 1 . THR 79 79 28036 1 . PHE 80 80 28036 1 . GLU 81 81 28036 1 . LEU 82 82 28036 1 . THR 83 83 28036 1 . VAL 84 84 28036 1 . ARG 85 85 28036 1 . PHE 86 86 28036 1 . LEU 87 87 28036 1 . ALA 88 88 28036 1 . CYS 89 89 28036 1 . PRO 90 90 28036 1 . ASN 91 91 28036 1 . LYS 92 92 28036 1 . LEU 93 93 28036 1 . ASN 94 94 28036 1 . PHE 95 95 28036 1 . CYS 96 96 28036 1 . ARG 97 97 28036 1 . ASP 98 98 28036 1 . VAL 99 99 28036 1 . MET 100 100 28036 1 . ASN 101 101 28036 1 . VAL 102 102 28036 1 . ILE 103 103 28036 1 . ASP 104 104 28036 1 . ILE 105 105 28036 1 . ILE 106 106 28036 1 . ALA 107 107 28036 1 . ILE 108 108 28036 1 . ILE 109 109 28036 1 . PRO 110 110 28036 1 . TYR 111 111 28036 1 . PHE 112 112 28036 1 . ILE 113 113 28036 1 . THR 114 114 28036 1 . LEU 115 115 28036 1 . ALA 116 116 28036 1 . THR 117 117 28036 1 . VAL 118 118 28036 1 . VAL 119 119 28036 1 . ALA 120 120 28036 1 . GLU 121 121 28036 1 . GLU 122 122 28036 1 . GLU 123 123 28036 1 . ASP 124 124 28036 1 . THR 125 125 28036 1 . LEU 126 126 28036 1 . ASN 127 127 28036 1 . LEU 128 128 28036 1 . PRO 129 129 28036 1 . LYS 130 130 28036 1 . ALA 131 131 28036 1 . PRO 132 132 28036 1 . VAL 133 133 28036 1 . SER 134 134 28036 1 . PRO 135 135 28036 1 . GLN 136 136 28036 1 . ASP 137 137 28036 1 . LYS 138 138 28036 1 . SER 139 139 28036 1 . SER 140 140 28036 1 . ASN 141 141 28036 1 . GLN 142 142 28036 1 . ALA 143 143 28036 1 . MET 144 144 28036 1 . SER 145 145 28036 1 . LEU 146 146 28036 1 . ALA 147 147 28036 1 . ILE 148 148 28036 1 . LEU 149 149 28036 1 . ARG 150 150 28036 1 . VAL 151 151 28036 1 . ILE 152 152 28036 1 . ARG 153 153 28036 1 . LEU 154 154 28036 1 . VAL 155 155 28036 1 . ARG 156 156 28036 1 . SER 157 157 28036 1 . SER 158 158 28036 1 . ARG 159 159 28036 1 . ILE 160 160 28036 1 . PHE 161 161 28036 1 . LYS 162 162 28036 1 . LEU 163 163 28036 1 . SER 164 164 28036 1 . ARG 165 165 28036 1 . HIS 166 166 28036 1 . SER 167 167 28036 1 . LYS 168 168 28036 1 . GLY 169 169 28036 1 . LEU 170 170 28036 1 . GLN 171 171 28036 1 . ILE 172 172 28036 1 . LEU 173 173 28036 1 . GLY 174 174 28036 1 . ARG 175 175 28036 1 . THR 176 176 28036 1 . LEU 177 177 28036 1 . LYS 178 178 28036 1 . ALA 179 179 28036 1 . SER 180 180 28036 1 . MET 181 181 28036 1 . ARG 182 182 28036 1 . GLU 183 183 28036 1 . LEU 184 184 28036 1 . GLY 185 185 28036 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 28036 _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 $Shaker-VSD(S2bot_mutant) . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 28036 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 28036 _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 $Shaker-VSD(S2bot_mutant) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pet-15b . . . 28036 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N-13C-D_S2bot _Sample.Sf_category sample _Sample.Sf_framecode 15N-13C-D_S2bot _Sample.Entry_ID 28036 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 H2O 'natural abundance' . . . . . . 90 . . % . . . . 28036 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 28036 1 3 Shaker-VSD(S2bot_mutant) '[U-13C; U-15N; U-2H]' . . 1 $Shaker-VSD(S2bot_mutant) . . 0.35 0.2 0.5 mM . . . . 28036 1 4 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 28036 1 5 MOPS 'natural abundance' . . . . . . 100 . . mM . . . . 28036 1 6 LPPG 'natural abundance' . . . . . . 40 . . mM . . . . 28036 1 7 TCEP 'natural abundance' . . . . . . 4 . . mM . . . . 28036 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 28036 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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 pH 6.7 . pH 28036 1 pressure 1 . atm 28036 1 temperature 273 . K 28036 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CCPNmr_Analysis _Software.Entry_ID 28036 _Software.ID 1 _Software.Type . _Software.Name CCPNmr_Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 28036 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 28036 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 28036 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 28036 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 750 . . . 28036 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 28036 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $15N-13C-D_S2bot isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28036 1 2 '3D HNCO' no . . . . . . . . . . 1 $15N-13C-D_S2bot isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28036 1 3 '3D HNCA' no . . . . . . . . . . 1 $15N-13C-D_S2bot isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28036 1 4 '3D HNCACB' no . . . . . . . . . . 1 $15N-13C-D_S2bot isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28036 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $15N-13C-D_S2bot isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28036 1 6 '3D HCACO' no . . . . . . . . . . 1 $15N-13C-D_S2bot isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28036 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 28036 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 . . . . . 28036 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 28036 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 28036 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 28036 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 28036 1 2 '3D HNCO' . . . 28036 1 3 '3D HNCA' . . . 28036 1 4 '3D HNCACB' . . . 28036 1 5 '3D HN(CO)CA' . . . 28036 1 6 '3D HCACO' . . . 28036 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 GLY C C 13 173.569 . . . . . . . . 215 G C . 28036 1 2 . 1 1 3 3 GLY CA C 13 44.758 . . . . . . . . 215 G CA . 28036 1 3 . 1 1 5 5 PHE H H 1 7.919 . . . . . . . . 217 F HN . 28036 1 4 . 1 1 5 5 PHE C C 13 174.666 . . . . . . . . 217 F C . 28036 1 5 . 1 1 5 5 PHE CA C 13 57.288 . . . . . . . . 217 F CA . 28036 1 6 . 1 1 5 5 PHE CB C 13 39.341 . . . . . . . . 217 F CB . 28036 1 7 . 1 1 5 5 PHE N N 15 120.488 . . . . . . . . 217 F N . 28036 1 8 . 1 1 6 6 GLU H H 1 7.857 . . . . . . . . 218 E HN . 28036 1 9 . 1 1 6 6 GLU C C 13 174.945 . . . . . . . . 218 E C . 28036 1 10 . 1 1 6 6 GLU CA C 13 54.955 . . . . . . . . 218 E CA . 28036 1 11 . 1 1 6 6 GLU CB C 13 30.181 . . . . . . . . 218 E CB . 28036 1 12 . 1 1 6 6 GLU N N 15 123.287 . . . . . . . . 218 E N . 28036 1 13 . 1 1 7 7 TYR H H 1 7.963 . . . . . . . . 219 Y HN . 28036 1 14 . 1 1 7 7 TYR C C 13 174.151 . . . . . . . . 219 Y C . 28036 1 15 . 1 1 7 7 TYR CA C 13 55.911 . . . . . . . . 219 Y CA . 28036 1 16 . 1 1 7 7 TYR CB C 13 37.294 . . . . . . . . 219 Y CB . 28036 1 17 . 1 1 7 7 TYR N N 15 122.079 . . . . . . . . 219 Y N . 28036 1 18 . 1 1 8 8 PRO C C 13 176.111 . . . . . . . . 220 P C . 28036 1 19 . 1 1 8 8 PRO CA C 13 62.676 . . . . . . . . 220 P CA . 28036 1 20 . 1 1 8 8 PRO CB C 13 31.050 . . . . . . . . 220 P CB . 28036 1 21 . 1 1 9 9 GLU H H 1 8.255 . . . . . . . . 221 E HN . 28036 1 22 . 1 1 9 9 GLU C C 13 177.047 . . . . . . . . 221 E C . 28036 1 23 . 1 1 9 9 GLU CA C 13 56.536 . . . . . . . . 221 E CA . 28036 1 24 . 1 1 9 9 GLU CB C 13 29.312 . . . . . . . . 221 E CB . 28036 1 25 . 1 1 9 9 GLU N N 15 120.508 . . . . . . . . 221 E N . 28036 1 26 . 1 1 10 10 SER H H 1 8.197 . . . . . . . . 222 S HN . 28036 1 27 . 1 1 10 10 SER C C 13 177.450 . . . . . . . . 222 S C . 28036 1 28 . 1 1 10 10 SER CA C 13 59.075 . . . . . . . . 222 S CA . 28036 1 29 . 1 1 10 10 SER CB C 13 63.784 . . . . . . . . 222 S CB . 28036 1 30 . 1 1 10 10 SER N N 15 116.634 . . . . . . . . 222 S N . 28036 1 31 . 1 1 11 11 SER C C 13 174.657 . . . . . . . . 223 S C . 28036 1 32 . 1 1 11 11 SER CA C 13 57.303 . . . . . . . . 223 S CA . 28036 1 33 . 1 1 12 12 GLN H H 1 7.854 . . . . . . . . 224 Q HN . 28036 1 34 . 1 1 12 12 GLN C C 13 175.132 . . . . . . . . 224 Q C . 28036 1 35 . 1 1 12 12 GLN CA C 13 55.047 . . . . . . . . 224 Q CA . 28036 1 36 . 1 1 12 12 GLN CB C 13 30.200 . . . . . . . . 224 Q CB . 28036 1 37 . 1 1 12 12 GLN N N 15 122.856 . . . . . . . . 224 Q N . 28036 1 38 . 1 1 13 13 ALA H H 1 7.854 . . . . . . . . 225 A HN . 28036 1 39 . 1 1 13 13 ALA C C 13 175.580 . . . . . . . . 225 A C . 28036 1 40 . 1 1 13 13 ALA CA C 13 49.989 . . . . . . . . 225 A CA . 28036 1 41 . 1 1 13 13 ALA CB C 13 18.646 . . . . . . . . 225 A CB . 28036 1 42 . 1 1 13 13 ALA N N 15 124.046 . . . . . . . . 225 A N . 28036 1 43 . 1 1 20 20 ILE C C 13 175.184 . . . . . . . . 232 I C . 28036 1 44 . 1 1 20 20 ILE CA C 13 58.918 . . . . . . . . 232 I CA . 28036 1 45 . 1 1 21 21 SER H H 1 8.327 . . . . . . . . 233 S HN . 28036 1 46 . 1 1 21 21 SER C C 13 178.521 . . . . . . . . 233 S C . 28036 1 47 . 1 1 21 21 SER CA C 13 59.340 . . . . . . . . 233 S CA . 28036 1 48 . 1 1 21 21 SER CB C 13 63.075 . . . . . . . . 233 S CB . 28036 1 49 . 1 1 21 21 SER N N 15 118.153 . . . . . . . . 233 S N . 28036 1 50 . 1 1 22 22 VAL C C 13 177.175 . . . . . . . . 234 V C . 28036 1 51 . 1 1 22 22 VAL CA C 13 66.575 . . . . . . . . 234 V CA . 28036 1 52 . 1 1 23 23 PHE H H 1 7.979 . . . . . . . . 235 F HN . 28036 1 53 . 1 1 23 23 PHE C C 13 176.851 . . . . . . . . 235 F C . 28036 1 54 . 1 1 23 23 PHE CA C 13 61.769 . . . . . . . . 235 F CA . 28036 1 55 . 1 1 23 23 PHE CB C 13 38.289 . . . . . . . . 235 F CB . 28036 1 56 . 1 1 23 23 PHE N N 15 119.263 . . . . . . . . 235 F N . 28036 1 57 . 1 1 24 24 VAL H H 1 8.451 . . . . . . . . 236 V HN . 28036 1 58 . 1 1 24 24 VAL C C 13 178.643 . . . . . . . . 236 V C . 28036 1 59 . 1 1 24 24 VAL CA C 13 66.673 . . . . . . . . 236 V CA . 28036 1 60 . 1 1 24 24 VAL CB C 13 30.603 . . . . . . . . 236 V CB . 28036 1 61 . 1 1 24 24 VAL N N 15 118.123 . . . . . . . . 236 V N . 28036 1 62 . 1 1 28 28 SER C C 13 177.519 . . . . . . . . 240 S C . 28036 1 63 . 1 1 28 28 SER CA C 13 57.579 . . . . . . . . 240 S CA . 28036 1 64 . 1 1 29 29 ILE H H 1 8.240 . . . . . . . . 241 I HN . 28036 1 65 . 1 1 29 29 ILE C C 13 178.149 . . . . . . . . 241 I C . 28036 1 66 . 1 1 29 29 ILE CA C 13 65.243 . . . . . . . . 241 I CA . 28036 1 67 . 1 1 29 29 ILE CB C 13 37.242 . . . . . . . . 241 I CB . 28036 1 68 . 1 1 29 29 ILE N N 15 118.683 . . . . . . . . 241 I N . 28036 1 69 . 1 1 30 30 VAL H H 1 8.154 . . . . . . . . 242 V HN . 28036 1 70 . 1 1 30 30 VAL C C 13 177.574 . . . . . . . . 242 V C . 28036 1 71 . 1 1 30 30 VAL CA C 13 67.453 . . . . . . . . 242 V CA . 28036 1 72 . 1 1 30 30 VAL CB C 13 30.674 . . . . . . . . 242 V CB . 28036 1 73 . 1 1 30 30 VAL N N 15 121.080 . . . . . . . . 242 V N . 28036 1 74 . 1 1 31 31 ILE H H 1 8.410 . . . . . . . . 243 I HN . 28036 1 75 . 1 1 31 31 ILE C C 13 177.492 . . . . . . . . 243 I C . 28036 1 76 . 1 1 31 31 ILE CA C 13 65.227 . . . . . . . . 243 I CA . 28036 1 77 . 1 1 31 31 ILE CB C 13 36.379 . . . . . . . . 243 I CB . 28036 1 78 . 1 1 31 31 ILE N N 15 118.987 . . . . . . . . 243 I N . 28036 1 79 . 1 1 32 32 PHE C C 13 178.738 . . . . . . . . 244 F C . 28036 1 80 . 1 1 32 32 PHE CA C 13 61.812 . . . . . . . . 244 F CA . 28036 1 81 . 1 1 33 33 CYS H H 1 8.522 . . . . . . . . 245 C HN . 28036 1 82 . 1 1 33 33 CYS C C 13 176.568 . . . . . . . . 245 C C . 28036 1 83 . 1 1 33 33 CYS CA C 13 64.295 . . . . . . . . 245 C CA . 28036 1 84 . 1 1 33 33 CYS N N 15 118.777 . . . . . . . . 245 C N . 28036 1 85 . 1 1 34 34 LEU H H 1 8.320 . . . . . . . . 246 L HN . 28036 1 86 . 1 1 34 34 LEU C C 13 178.258 . . . . . . . . 246 L C . 28036 1 87 . 1 1 34 34 LEU CA C 13 57.438 . . . . . . . . 246 L CA . 28036 1 88 . 1 1 34 34 LEU CB C 13 40.918 . . . . . . . . 246 L CB . 28036 1 89 . 1 1 34 34 LEU N N 15 119.605 . . . . . . . . 246 L N . 28036 1 90 . 1 1 39 39 GLU C C 13 177.156 . . . . . . . . 251 E C . 28036 1 91 . 1 1 39 39 GLU CA C 13 62.845 . . . . . . . . 251 E CA . 28036 1 92 . 1 1 40 40 PHE H H 1 7.745 . . . . . . . . 252 F HN . 28036 1 93 . 1 1 40 40 PHE C C 13 176.253 . . . . . . . . 252 F C . 28036 1 94 . 1 1 40 40 PHE CA C 13 58.266 . . . . . . . . 252 F CA . 28036 1 95 . 1 1 40 40 PHE CB C 13 38.657 . . . . . . . . 252 F CB . 28036 1 96 . 1 1 40 40 PHE N N 15 118.529 . . . . . . . . 252 F N . 28036 1 97 . 1 1 41 41 LYS H H 1 7.674 . . . . . . . . 253 K HN . 28036 1 98 . 1 1 41 41 LYS C C 13 176.611 . . . . . . . . 253 K C . 28036 1 99 . 1 1 41 41 LYS CA C 13 57.311 . . . . . . . . 253 K CA . 28036 1 100 . 1 1 41 41 LYS CB C 13 31.490 . . . . . . . . 253 K CB . 28036 1 101 . 1 1 41 41 LYS N N 15 118.806 . . . . . . . . 253 K N . 28036 1 102 . 1 1 42 42 HIS C C 13 174.764 . . . . . . . . 254 H C . 28036 1 103 . 1 1 42 42 HIS CA C 13 55.628 . . . . . . . . 254 H CA . 28036 1 104 . 1 1 42 42 HIS CB C 13 28.737 . . . . . . . . 254 H CB . 28036 1 105 . 1 1 43 43 TYR H H 1 7.630 . . . . . . . . 255 Y HN . 28036 1 106 . 1 1 43 43 TYR C C 13 175.405 . . . . . . . . 255 Y C . 28036 1 107 . 1 1 43 43 TYR CA C 13 58.016 . . . . . . . . 255 Y CA . 28036 1 108 . 1 1 43 43 TYR CB C 13 38.026 . . . . . . . . 255 Y CB . 28036 1 109 . 1 1 43 43 TYR N N 15 119.970 . . . . . . . . 255 Y N . 28036 1 110 . 1 1 44 44 LYS H H 1 7.845 . . . . . . . . 256 K HN . 28036 1 111 . 1 1 44 44 LYS C C 13 176.330 . . . . . . . . 256 K C . 28036 1 112 . 1 1 44 44 LYS CA C 13 56.286 . . . . . . . . 256 K CA . 28036 1 113 . 1 1 44 44 LYS CB C 13 31.723 . . . . . . . . 256 K CB . 28036 1 114 . 1 1 44 44 LYS N N 15 121.972 . . . . . . . . 256 K N . 28036 1 115 . 1 1 45 45 VAL H H 1 7.608 . . . . . . . . 257 V HN . 28036 1 116 . 1 1 45 45 VAL C C 13 175.318 . . . . . . . . 257 V C . 28036 1 117 . 1 1 45 45 VAL CA C 13 62.773 . . . . . . . . 257 V CA . 28036 1 118 . 1 1 45 45 VAL CB C 13 31.649 . . . . . . . . 257 V CB . 28036 1 119 . 1 1 45 45 VAL N N 15 118.521 . . . . . . . . 257 V N . 28036 1 120 . 1 1 46 46 PHE H H 1 7.708 . . . . . . . . 258 F HN . 28036 1 121 . 1 1 46 46 PHE C C 13 175.220 . . . . . . . . 258 F C . 28036 1 122 . 1 1 46 46 PHE CA C 13 57.029 . . . . . . . . 258 F CA . 28036 1 123 . 1 1 46 46 PHE CB C 13 38.830 . . . . . . . . 258 F CB . 28036 1 124 . 1 1 46 46 PHE N N 15 118.902 . . . . . . . . 258 F N . 28036 1 125 . 1 1 47 47 ASN H H 1 8.176 . . . . . . . . 259 N HN . 28036 1 126 . 1 1 47 47 ASN C C 13 175.112 . . . . . . . . 259 N C . 28036 1 127 . 1 1 47 47 ASN CA C 13 52.976 . . . . . . . . 259 N CA . 28036 1 128 . 1 1 47 47 ASN CB C 13 38.865 . . . . . . . . 259 N CB . 28036 1 129 . 1 1 47 47 ASN N N 15 119.723 . . . . . . . . 259 N N . 28036 1 130 . 1 1 48 48 THR H H 1 8.056 . . . . . . . . 260 T HN . 28036 1 131 . 1 1 48 48 THR C C 13 174.776 . . . . . . . . 260 T C . 28036 1 132 . 1 1 48 48 THR CA C 13 61.543 . . . . . . . . 260 T CA . 28036 1 133 . 1 1 48 48 THR CB C 13 69.316 . . . . . . . . 260 T CB . 28036 1 134 . 1 1 48 48 THR N N 15 114.489 . . . . . . . . 260 T N . 28036 1 135 . 1 1 49 49 THR H H 1 8.079 . . . . . . . . 261 T HN . 28036 1 136 . 1 1 49 49 THR C C 13 174.598 . . . . . . . . 261 T C . 28036 1 137 . 1 1 49 49 THR CA C 13 61.533 . . . . . . . . 261 T CA . 28036 1 138 . 1 1 49 49 THR CB C 13 69.419 . . . . . . . . 261 T CB . 28036 1 139 . 1 1 49 49 THR N N 15 116.527 . . . . . . . . 261 T N . 28036 1 140 . 1 1 50 50 THR H H 1 8.058 . . . . . . . . 262 T HN . 28036 1 141 . 1 1 50 50 THR C C 13 173.532 . . . . . . . . 262 T C . 28036 1 142 . 1 1 50 50 THR CA C 13 61.373 . . . . . . . . 262 T CA . 28036 1 143 . 1 1 50 50 THR CB C 13 69.468 . . . . . . . . 262 T CB . 28036 1 144 . 1 1 50 50 THR N N 15 116.484 . . . . . . . . 262 T N . 28036 1 145 . 1 1 51 51 ASN H H 1 7.961 . . . . . . . . 263 N HN . 28036 1 146 . 1 1 51 51 ASN C C 13 175.678 . . . . . . . . 263 N C . 28036 1 147 . 1 1 51 51 ASN CA C 13 54.604 . . . . . . . . 263 N CA . 28036 1 148 . 1 1 51 51 ASN CB C 13 40.615 . . . . . . . . 263 N CB . 28036 1 149 . 1 1 51 51 ASN N N 15 126.619 . . . . . . . . 263 N N . 28036 1 150 . 1 1 52 52 GLY H H 1 8.206 . . . . . . . . 264 G HN . 28036 1 151 . 1 1 52 52 GLY C C 13 174.247 . . . . . . . . 264 G C . 28036 1 152 . 1 1 52 52 GLY CA C 13 45.211 . . . . . . . . 264 G CA . 28036 1 153 . 1 1 52 52 GLY N N 15 109.729 . . . . . . . . 264 G N . 28036 1 154 . 1 1 53 53 THR H H 1 7.876 . . . . . . . . 265 T HN . 28036 1 155 . 1 1 53 53 THR C C 13 174.269 . . . . . . . . 265 T C . 28036 1 156 . 1 1 53 53 THR CA C 13 61.738 . . . . . . . . 265 T CA . 28036 1 157 . 1 1 53 53 THR CB C 13 69.550 . . . . . . . . 265 T CB . 28036 1 158 . 1 1 53 53 THR N N 15 114.456 . . . . . . . . 265 T N . 28036 1 159 . 1 1 54 54 LYS H H 1 8.158 . . . . . . . . 266 K HN . 28036 1 160 . 1 1 54 54 LYS C C 13 176.162 . . . . . . . . 266 K C . 28036 1 161 . 1 1 54 54 LYS CA C 13 55.806 . . . . . . . . 266 K CA . 28036 1 162 . 1 1 54 54 LYS CB C 13 32.245 . . . . . . . . 266 K CB . 28036 1 163 . 1 1 54 54 LYS N N 15 124.515 . . . . . . . . 266 K N . 28036 1 164 . 1 1 55 55 ILE H H 1 8.065 . . . . . . . . 267 I HN . 28036 1 165 . 1 1 55 55 ILE C C 13 176.210 . . . . . . . . 267 I C . 28036 1 166 . 1 1 55 55 ILE CA C 13 60.878 . . . . . . . . 267 I CA . 28036 1 167 . 1 1 55 55 ILE CB C 13 37.914 . . . . . . . . 267 I CB . 28036 1 168 . 1 1 55 55 ILE N N 15 122.973 . . . . . . . . 267 I N . 28036 1 169 . 1 1 56 56 GLU H H 1 8.313 . . . . . . . . 268 E HN . 28036 1 170 . 1 1 56 56 GLU C C 13 176.419 . . . . . . . . 268 E C . 28036 1 171 . 1 1 56 56 GLU CA C 13 56.197 . . . . . . . . 268 E CA . 28036 1 172 . 1 1 56 56 GLU CB C 13 29.499 . . . . . . . . 268 E CB . 28036 1 173 . 1 1 56 56 GLU N N 15 124.412 . . . . . . . . 268 E N . 28036 1 174 . 1 1 57 57 GLU H H 1 8.210 . . . . . . . . 269 E HN . 28036 1 175 . 1 1 57 57 GLU C C 13 176.106 . . . . . . . . 269 E C . 28036 1 176 . 1 1 57 57 GLU CA C 13 56.589 . . . . . . . . 269 E CA . 28036 1 177 . 1 1 57 57 GLU CB C 13 29.616 . . . . . . . . 269 E CB . 28036 1 178 . 1 1 57 57 GLU N N 15 121.393 . . . . . . . . 269 E N . 28036 1 179 . 1 1 58 58 ASP H H 1 8.132 . . . . . . . . 270 D HN . 28036 1 180 . 1 1 58 58 ASP C C 13 175.880 . . . . . . . . 270 D C . 28036 1 181 . 1 1 58 58 ASP CA C 13 54.214 . . . . . . . . 270 D CA . 28036 1 182 . 1 1 58 58 ASP CB C 13 40.769 . . . . . . . . 270 D CB . 28036 1 183 . 1 1 58 58 ASP N N 15 120.330 . . . . . . . . 270 D N . 28036 1 184 . 1 1 59 59 GLU H H 1 8.012 . . . . . . . . 271 E HN . 28036 1 185 . 1 1 59 59 GLU C C 13 175.921 . . . . . . . . 271 E C . 28036 1 186 . 1 1 59 59 GLU CA C 13 55.932 . . . . . . . . 271 E CA . 28036 1 187 . 1 1 59 59 GLU CB C 13 29.865 . . . . . . . . 271 E CB . 28036 1 188 . 1 1 59 59 GLU N N 15 120.532 . . . . . . . . 271 E N . 28036 1 189 . 1 1 60 60 VAL H H 1 7.943 . . . . . . . . 272 V HN . 28036 1 190 . 1 1 60 60 VAL C C 13 174.352 . . . . . . . . 272 V C . 28036 1 191 . 1 1 60 60 VAL CA C 13 59.348 . . . . . . . . 272 V CA . 28036 1 192 . 1 1 60 60 VAL CB C 13 31.957 . . . . . . . . 272 V CB . 28036 1 193 . 1 1 60 60 VAL N N 15 122.538 . . . . . . . . 272 V N . 28036 1 194 . 1 1 61 61 PRO C C 13 176.081 . . . . . . . . 273 P C . 28036 1 195 . 1 1 61 61 PRO CA C 13 62.673 . . . . . . . . 273 P CA . 28036 1 196 . 1 1 61 61 PRO CB C 13 31.378 . . . . . . . . 273 P CB . 28036 1 197 . 1 1 62 62 ASP H H 1 8.094 . . . . . . . . 274 D HN . 28036 1 198 . 1 1 62 62 ASP C C 13 176.138 . . . . . . . . 274 D C . 28036 1 199 . 1 1 62 62 ASP CA C 13 53.653 . . . . . . . . 274 D CA . 28036 1 200 . 1 1 62 62 ASP CB C 13 40.862 . . . . . . . . 274 D CB . 28036 1 201 . 1 1 62 62 ASP N N 15 120.873 . . . . . . . . 274 D N . 28036 1 202 . 1 1 63 63 ILE H H 1 7.851 . . . . . . . . 275 I HN . 28036 1 203 . 1 1 63 63 ILE C C 13 175.005 . . . . . . . . 275 I C . 28036 1 204 . 1 1 63 63 ILE CA C 13 60.905 . . . . . . . . 275 I CA . 28036 1 205 . 1 1 63 63 ILE CB C 13 38.043 . . . . . . . . 275 I CB . 28036 1 206 . 1 1 63 63 ILE N N 15 120.653 . . . . . . . . 275 I N . 28036 1 207 . 1 1 64 64 THR H H 1 8.030 . . . . . . . . 276 T HN . 28036 1 208 . 1 1 64 64 THR C C 13 173.876 . . . . . . . . 276 T C . 28036 1 209 . 1 1 64 64 THR CA C 13 61.614 . . . . . . . . 276 T CA . 28036 1 210 . 1 1 64 64 THR CB C 13 69.333 . . . . . . . . 276 T CB . 28036 1 211 . 1 1 64 64 THR N N 15 115.840 . . . . . . . . 276 T N . 28036 1 212 . 1 1 65 65 ASP H H 1 7.946 . . . . . . . . 277 D HN . 28036 1 213 . 1 1 65 65 ASP C C 13 174.886 . . . . . . . . 277 D C . 28036 1 214 . 1 1 65 65 ASP CA C 13 51.819 . . . . . . . . 277 D CA . 28036 1 215 . 1 1 65 65 ASP CB C 13 41.158 . . . . . . . . 277 D CB . 28036 1 216 . 1 1 65 65 ASP N N 15 123.749 . . . . . . . . 277 D N . 28036 1 217 . 1 1 68 68 PHE C C 13 177.482 . . . . . . . . 280 F C . 28036 1 218 . 1 1 68 68 PHE CA C 13 59.708 . . . . . . . . 280 F CA . 28036 1 219 . 1 1 68 68 PHE CB C 13 37.919 . . . . . . . . 280 F CB . 28036 1 220 . 1 1 69 69 LEU H H 1 7.646 . . . . . . . . 281 L HN . 28036 1 221 . 1 1 69 69 LEU C C 13 178.129 . . . . . . . . 281 L C . 28036 1 222 . 1 1 69 69 LEU CA C 13 57.334 . . . . . . . . 281 L CA . 28036 1 223 . 1 1 69 69 LEU CB C 13 40.953 . . . . . . . . 281 L CB . 28036 1 224 . 1 1 69 69 LEU N N 15 121.605 . . . . . . . . 281 L N . 28036 1 225 . 1 1 70 70 ILE H H 1 7.905 . . . . . . . . 282 I HN . 28036 1 226 . 1 1 70 70 ILE C C 13 177.918 . . . . . . . . 282 I C . 28036 1 227 . 1 1 70 70 ILE CA C 13 63.902 . . . . . . . . 282 I CA . 28036 1 228 . 1 1 70 70 ILE CB C 13 36.683 . . . . . . . . 282 I CB . 28036 1 229 . 1 1 70 70 ILE N N 15 118.897 . . . . . . . . 282 I N . 28036 1 230 . 1 1 71 71 GLU H H 1 8.180 . . . . . . . . 283 E HN . 28036 1 231 . 1 1 71 71 GLU C C 13 178.684 . . . . . . . . 283 E C . 28036 1 232 . 1 1 71 71 GLU CA C 13 59.143 . . . . . . . . 283 E CA . 28036 1 233 . 1 1 71 71 GLU CB C 13 28.123 . . . . . . . . 283 E CB . 28036 1 234 . 1 1 71 71 GLU N N 15 120.476 . . . . . . . . 283 E N . 28036 1 235 . 1 1 72 72 THR H H 1 7.776 . . . . . . . . 284 T HN . 28036 1 236 . 1 1 72 72 THR C C 13 176.107 . . . . . . . . 284 T C . 28036 1 237 . 1 1 72 72 THR CA C 13 66.790 . . . . . . . . 284 T CA . 28036 1 238 . 1 1 72 72 THR CB C 13 67.721 . . . . . . . . 284 T CB . 28036 1 239 . 1 1 72 72 THR N N 15 115.633 . . . . . . . . 284 T N . 28036 1 240 . 1 1 73 73 LEU H H 1 8.039 . . . . . . . . 285 L HN . 28036 1 241 . 1 1 73 73 LEU C C 13 178.477 . . . . . . . . 285 L C . 28036 1 242 . 1 1 73 73 LEU CA C 13 57.747 . . . . . . . . 285 L CA . 28036 1 243 . 1 1 73 73 LEU CB C 13 40.309 . . . . . . . . 285 L CB . 28036 1 244 . 1 1 73 73 LEU N N 15 121.216 . . . . . . . . 285 L N . 28036 1 245 . 1 1 74 74 CYS H H 1 8.042 . . . . . . . . 286 C HN . 28036 1 246 . 1 1 74 74 CYS C C 13 177.087 . . . . . . . . 286 C C . 28036 1 247 . 1 1 74 74 CYS CA C 13 63.309 . . . . . . . . 286 C CA . 28036 1 248 . 1 1 74 74 CYS CB C 13 26.272 . . . . . . . . 286 C CB . 28036 1 249 . 1 1 74 74 CYS N N 15 117.012 . . . . . . . . 286 C N . 28036 1 250 . 1 1 75 75 ILE H H 1 7.890 . . . . . . . . 287 I HN . 28036 1 251 . 1 1 75 75 ILE C C 13 178.967 . . . . . . . . 287 I C . 28036 1 252 . 1 1 75 75 ILE CA C 13 64.426 . . . . . . . . 287 I CA . 28036 1 253 . 1 1 75 75 ILE CB C 13 37.803 . . . . . . . . 287 I CB . 28036 1 254 . 1 1 75 75 ILE N N 15 120.920 . . . . . . . . 287 I N . 28036 1 255 . 1 1 76 76 ILE H H 1 8.172 . . . . . . . . 288 I HN . 28036 1 256 . 1 1 76 76 ILE C C 13 177.344 . . . . . . . . 288 I C . 28036 1 257 . 1 1 76 76 ILE CA C 13 65.305 . . . . . . . . 288 I CA . 28036 1 258 . 1 1 76 76 ILE CB C 13 36.785 . . . . . . . . 288 I CB . 28036 1 259 . 1 1 76 76 ILE N N 15 123.221 . . . . . . . . 288 I N . 28036 1 260 . 1 1 77 77 TRP H H 1 8.429 . . . . . . . . 289 W HN . 28036 1 261 . 1 1 77 77 TRP C C 13 177.775 . . . . . . . . 289 W C . 28036 1 262 . 1 1 77 77 TRP CA C 13 60.137 . . . . . . . . 289 W CA . 28036 1 263 . 1 1 77 77 TRP N N 15 121.114 . . . . . . . . 289 W N . 28036 1 264 . 1 1 78 78 PHE H H 1 8.378 . . . . . . . . 290 F HN . 28036 1 265 . 1 1 78 78 PHE C C 13 177.877 . . . . . . . . 290 F C . 28036 1 266 . 1 1 78 78 PHE CA C 13 60.441 . . . . . . . . 290 F CA . 28036 1 267 . 1 1 78 78 PHE CB C 13 38.310 . . . . . . . . 290 F CB . 28036 1 268 . 1 1 78 78 PHE N N 15 118.360 . . . . . . . . 290 F N . 28036 1 269 . 1 1 79 79 THR H H 1 8.165 . . . . . . . . 291 T HN . 28036 1 270 . 1 1 79 79 THR C C 13 177.772 . . . . . . . . 291 T C . 28036 1 271 . 1 1 79 79 THR CA C 13 66.822 . . . . . . . . 291 T CA . 28036 1 272 . 1 1 79 79 THR N N 15 115.880 . . . . . . . . 291 T N . 28036 1 273 . 1 1 80 80 PHE C C 13 176.385 . . . . . . . . 292 F C . 28036 1 274 . 1 1 80 80 PHE CA C 13 57.223 . . . . . . . . 292 F CA . 28036 1 275 . 1 1 81 81 GLU H H 1 8.215 . . . . . . . . 293 E HN . 28036 1 276 . 1 1 81 81 GLU C C 13 178.708 . . . . . . . . 293 E C . 28036 1 277 . 1 1 81 81 GLU CA C 13 59.241 . . . . . . . . 293 E CA . 28036 1 278 . 1 1 81 81 GLU CB C 13 28.181 . . . . . . . . 293 E CB . 28036 1 279 . 1 1 81 81 GLU N N 15 119.360 . . . . . . . . 293 E N . 28036 1 280 . 1 1 82 82 LEU C C 13 178.594 . . . . . . . . 294 L C . 28036 1 281 . 1 1 82 82 LEU CA C 13 57.397 . . . . . . . . 294 L CA . 28036 1 282 . 1 1 83 83 THR H H 1 7.770 . . . . . . . . 295 T HN . 28036 1 283 . 1 1 83 83 THR C C 13 176.367 . . . . . . . . 295 T C . 28036 1 284 . 1 1 83 83 THR CA C 13 67.283 . . . . . . . . 295 T CA . 28036 1 285 . 1 1 83 83 THR N N 15 116.137 . . . . . . . . 295 T N . 28036 1 286 . 1 1 84 84 VAL H H 1 7.875 . . . . . . . . 296 V HN . 28036 1 287 . 1 1 84 84 VAL C C 13 177.896 . . . . . . . . 296 V C . 28036 1 288 . 1 1 84 84 VAL CA C 13 66.277 . . . . . . . . 296 V CA . 28036 1 289 . 1 1 84 84 VAL CB C 13 30.502 . . . . . . . . 296 V CB . 28036 1 290 . 1 1 84 84 VAL N N 15 120.292 . . . . . . . . 296 V N . 28036 1 291 . 1 1 85 85 ARG H H 1 7.676 . . . . . . . . 297 R HN . 28036 1 292 . 1 1 85 85 ARG C C 13 178.780 . . . . . . . . 297 R C . 28036 1 293 . 1 1 85 85 ARG CA C 13 58.873 . . . . . . . . 297 R CA . 28036 1 294 . 1 1 85 85 ARG CB C 13 29.469 . . . . . . . . 297 R CB . 28036 1 295 . 1 1 85 85 ARG N N 15 119.045 . . . . . . . . 297 R N . 28036 1 296 . 1 1 86 86 PHE C C 13 177.298 . . . . . . . . 298 F C . 28036 1 297 . 1 1 86 86 PHE CA C 13 60.246 . . . . . . . . 298 F CA . 28036 1 298 . 1 1 87 87 LEU H H 1 8.121 . . . . . . . . 299 L HN . 28036 1 299 . 1 1 87 87 LEU C C 13 177.581 . . . . . . . . 299 L C . 28036 1 300 . 1 1 87 87 LEU CA C 13 56.785 . . . . . . . . 299 L CA . 28036 1 301 . 1 1 87 87 LEU N N 15 118.178 . . . . . . . . 299 L N . 28036 1 302 . 1 1 88 88 ALA H H 1 7.557 . . . . . . . . 300 A HN . 28036 1 303 . 1 1 88 88 ALA C C 13 177.207 . . . . . . . . 300 A C . 28036 1 304 . 1 1 88 88 ALA CA C 13 51.914 . . . . . . . . 300 A CA . 28036 1 305 . 1 1 88 88 ALA CB C 13 18.335 . . . . . . . . 300 A CB . 28036 1 306 . 1 1 88 88 ALA N N 15 119.298 . . . . . . . . 300 A N . 28036 1 307 . 1 1 89 89 CYS H H 1 7.391 . . . . . . . . 301 C HN . 28036 1 308 . 1 1 89 89 CYS C C 13 173.731 . . . . . . . . 301 C C . 28036 1 309 . 1 1 89 89 CYS CA C 13 56.774 . . . . . . . . 301 C CA . 28036 1 310 . 1 1 89 89 CYS CB C 13 26.849 . . . . . . . . 301 C CB . 28036 1 311 . 1 1 89 89 CYS N N 15 120.175 . . . . . . . . 301 C N . 28036 1 312 . 1 1 91 91 ASN C C 13 176.135 . . . . . . . . 303 N C . 28036 1 313 . 1 1 91 91 ASN CA C 13 55.935 . . . . . . . . 303 N CA . 28036 1 314 . 1 1 91 91 ASN CB C 13 40.744 . . . . . . . . 303 N CB . 28036 1 315 . 1 1 92 92 LYS H H 1 8.243 . . . . . . . . 304 K HN . 28036 1 316 . 1 1 92 92 LYS C C 13 176.009 . . . . . . . . 304 K C . 28036 1 317 . 1 1 92 92 LYS CA C 13 56.047 . . . . . . . . 304 K CA . 28036 1 318 . 1 1 92 92 LYS CB C 13 29.849 . . . . . . . . 304 K CB . 28036 1 319 . 1 1 92 92 LYS N N 15 122.588 . . . . . . . . 304 K N . 28036 1 320 . 1 1 93 93 LEU H H 1 8.156 . . . . . . . . 305 L HN . 28036 1 321 . 1 1 93 93 LEU C C 13 178.514 . . . . . . . . 305 L C . 28036 1 322 . 1 1 93 93 LEU CA C 13 57.118 . . . . . . . . 305 L CA . 28036 1 323 . 1 1 93 93 LEU CB C 13 40.872 . . . . . . . . 305 L CB . 28036 1 324 . 1 1 93 93 LEU N N 15 121.338 . . . . . . . . 305 L N . 28036 1 325 . 1 1 94 94 ASN H H 1 7.964 . . . . . . . . 306 N HN . 28036 1 326 . 1 1 94 94 ASN C C 13 176.916 . . . . . . . . 306 N C . 28036 1 327 . 1 1 94 94 ASN CA C 13 55.451 . . . . . . . . 306 N CA . 28036 1 328 . 1 1 94 94 ASN CB C 13 37.536 . . . . . . . . 306 N CB . 28036 1 329 . 1 1 94 94 ASN N N 15 118.485 . . . . . . . . 306 N N . 28036 1 330 . 1 1 95 95 PHE H H 1 7.762 . . . . . . . . 307 F HN . 28036 1 331 . 1 1 95 95 PHE C C 13 176.893 . . . . . . . . 307 F C . 28036 1 332 . 1 1 95 95 PHE CA C 13 60.312 . . . . . . . . 307 F CA . 28036 1 333 . 1 1 95 95 PHE CB C 13 38.465 . . . . . . . . 307 F CB . 28036 1 334 . 1 1 95 95 PHE N N 15 119.746 . . . . . . . . 307 F N . 28036 1 335 . 1 1 96 96 CYS H H 1 7.805 . . . . . . . . 308 C HN . 28036 1 336 . 1 1 96 96 CYS C C 13 175.839 . . . . . . . . 308 C C . 28036 1 337 . 1 1 96 96 CYS CA C 13 62.630 . . . . . . . . 308 C CA . 28036 1 338 . 1 1 96 96 CYS CB C 13 27.221 . . . . . . . . 308 C CB . 28036 1 339 . 1 1 96 96 CYS N N 15 116.541 . . . . . . . . 308 C N . 28036 1 340 . 1 1 97 97 ARG H H 1 7.898 . . . . . . . . 309 R HN . 28036 1 341 . 1 1 97 97 ARG C C 13 177.835 . . . . . . . . 309 R C . 28036 1 342 . 1 1 97 97 ARG CA C 13 58.802 . . . . . . . . 309 R CA . 28036 1 343 . 1 1 97 97 ARG CB C 13 29.181 . . . . . . . . 309 R CB . 28036 1 344 . 1 1 97 97 ARG N N 15 119.088 . . . . . . . . 309 R N . 28036 1 345 . 1 1 98 98 ASP H H 1 7.904 . . . . . . . . 310 D HN . 28036 1 346 . 1 1 98 98 ASP C C 13 178.758 . . . . . . . . 310 D C . 28036 1 347 . 1 1 98 98 ASP CA C 13 56.550 . . . . . . . . 310 D CA . 28036 1 348 . 1 1 98 98 ASP CB C 13 39.582 . . . . . . . . 310 D CB . 28036 1 349 . 1 1 98 98 ASP N N 15 119.388 . . . . . . . . 310 D N . 28036 1 350 . 1 1 99 99 VAL H H 1 7.709 . . . . . . . . 311 V HN . 28036 1 351 . 1 1 99 99 VAL C C 13 177.140 . . . . . . . . 311 V C . 28036 1 352 . 1 1 99 99 VAL CA C 13 65.146 . . . . . . . . 311 V CA . 28036 1 353 . 1 1 99 99 VAL CB C 13 31.124 . . . . . . . . 311 V CB . 28036 1 354 . 1 1 99 99 VAL N N 15 119.143 . . . . . . . . 311 V N . 28036 1 355 . 1 1 100 100 MET H H 1 7.755 . . . . . . . . 312 M HN . 28036 1 356 . 1 1 100 100 MET C C 13 176.877 . . . . . . . . 312 M C . 28036 1 357 . 1 1 100 100 MET CA C 13 57.161 . . . . . . . . 312 M CA . 28036 1 358 . 1 1 100 100 MET CB C 13 31.433 . . . . . . . . 312 M CB . 28036 1 359 . 1 1 100 100 MET N N 15 117.366 . . . . . . . . 312 M N . 28036 1 360 . 1 1 101 101 ASN H H 1 7.690 . . . . . . . . 313 N HN . 28036 1 361 . 1 1 101 101 ASN C C 13 176.471 . . . . . . . . 313 N C . 28036 1 362 . 1 1 101 101 ASN CA C 13 54.288 . . . . . . . . 313 N CA . 28036 1 363 . 1 1 101 101 ASN CB C 13 38.581 . . . . . . . . 313 N CB . 28036 1 364 . 1 1 101 101 ASN N N 15 115.649 . . . . . . . . 313 N N . 28036 1 365 . 1 1 102 102 VAL H H 1 7.632 . . . . . . . . 314 V HN . 28036 1 366 . 1 1 102 102 VAL C C 13 176.079 . . . . . . . . 314 V C . 28036 1 367 . 1 1 102 102 VAL CA C 13 63.413 . . . . . . . . 314 V CA . 28036 1 368 . 1 1 102 102 VAL CB C 13 31.667 . . . . . . . . 314 V CB . 28036 1 369 . 1 1 102 102 VAL N N 15 117.038 . . . . . . . . 314 V N . 28036 1 370 . 1 1 103 103 ILE H H 1 7.527 . . . . . . . . 315 I HN . 28036 1 371 . 1 1 103 103 ILE C C 13 174.773 . . . . . . . . 315 I C . 28036 1 372 . 1 1 103 103 ILE CA C 13 60.924 . . . . . . . . 315 I CA . 28036 1 373 . 1 1 103 103 ILE CB C 13 38.014 . . . . . . . . 315 I CB . 28036 1 374 . 1 1 103 103 ILE N N 15 118.533 . . . . . . . . 315 I N . 28036 1 375 . 1 1 104 104 ASP H H 1 7.892 . . . . . . . . 316 D HN . 28036 1 376 . 1 1 104 104 ASP C C 13 176.980 . . . . . . . . 316 D C . 28036 1 377 . 1 1 104 104 ASP CA C 13 53.250 . . . . . . . . 316 D CA . 28036 1 378 . 1 1 104 104 ASP CB C 13 39.693 . . . . . . . . 316 D CB . 28036 1 379 . 1 1 104 104 ASP N N 15 123.021 . . . . . . . . 316 D N . 28036 1 380 . 1 1 105 105 ILE H H 1 8.009 . . . . . . . . 317 I HN . 28036 1 381 . 1 1 105 105 ILE C C 13 176.823 . . . . . . . . 317 I C . 28036 1 382 . 1 1 105 105 ILE CA C 13 62.791 . . . . . . . . 317 I CA . 28036 1 383 . 1 1 105 105 ILE CB C 13 37.586 . . . . . . . . 317 I CB . 28036 1 384 . 1 1 105 105 ILE N N 15 121.571 . . . . . . . . 317 I N . 28036 1 385 . 1 1 106 106 ILE H H 1 7.765 . . . . . . . . 318 I HN . 28036 1 386 . 1 1 106 106 ILE C C 13 177.377 . . . . . . . . 318 I C . 28036 1 387 . 1 1 106 106 ILE CA C 13 62.779 . . . . . . . . 318 I CA . 28036 1 388 . 1 1 106 106 ILE CB C 13 36.136 . . . . . . . . 318 I CB . 28036 1 389 . 1 1 106 106 ILE N N 15 118.799 . . . . . . . . 318 I N . 28036 1 390 . 1 1 107 107 ALA H H 1 7.464 . . . . . . . . 319 A HN . 28036 1 391 . 1 1 107 107 ALA C C 13 178.743 . . . . . . . . 319 A C . 28036 1 392 . 1 1 107 107 ALA CA C 13 53.213 . . . . . . . . 319 A CA . 28036 1 393 . 1 1 107 107 ALA CB C 13 18.263 . . . . . . . . 319 A CB . 28036 1 394 . 1 1 107 107 ALA N N 15 120.896 . . . . . . . . 319 A N . 28036 1 395 . 1 1 108 108 ILE H H 1 7.503 . . . . . . . . 320 I HN . 28036 1 396 . 1 1 108 108 ILE C C 13 176.720 . . . . . . . . 320 I C . 28036 1 397 . 1 1 108 108 ILE CA C 13 61.784 . . . . . . . . 320 I CA . 28036 1 398 . 1 1 108 108 ILE CB C 13 38.223 . . . . . . . . 320 I CB . 28036 1 399 . 1 1 108 108 ILE N N 15 114.323 . . . . . . . . 320 I N . 28036 1 400 . 1 1 109 109 ILE H H 1 7.693 . . . . . . . . 321 I HN . 28036 1 401 . 1 1 109 109 ILE C C 13 174.859 . . . . . . . . 321 I C . 28036 1 402 . 1 1 109 109 ILE CA C 13 66.236 . . . . . . . . 321 I CA . 28036 1 403 . 1 1 109 109 ILE CB C 13 34.998 . . . . . . . . 321 I CB . 28036 1 404 . 1 1 109 109 ILE N N 15 121.081 . . . . . . . . 321 I N . 28036 1 405 . 1 1 110 110 PRO C C 13 178.671 . . . . . . . . 322 P C . 28036 1 406 . 1 1 110 110 PRO CA C 13 65.762 . . . . . . . . 322 P CA . 28036 1 407 . 1 1 110 110 PRO CB C 13 30.383 . . . . . . . . 322 P CB . 28036 1 408 . 1 1 111 111 TYR H H 1 7.376 . . . . . . . . 323 Y HN . 28036 1 409 . 1 1 111 111 TYR C C 13 177.648 . . . . . . . . 323 Y C . 28036 1 410 . 1 1 111 111 TYR CA C 13 60.808 . . . . . . . . 323 Y CA . 28036 1 411 . 1 1 111 111 TYR CB C 13 37.299 . . . . . . . . 323 Y CB . 28036 1 412 . 1 1 111 111 TYR N N 15 117.012 . . . . . . . . 323 Y N . 28036 1 413 . 1 1 112 112 PHE H H 1 7.937 . . . . . . . . 324 F HN . 28036 1 414 . 1 1 112 112 PHE C C 13 177.235 . . . . . . . . 324 F C . 28036 1 415 . 1 1 112 112 PHE CA C 13 60.690 . . . . . . . . 324 F CA . 28036 1 416 . 1 1 112 112 PHE CB C 13 38.440 . . . . . . . . 324 F CB . 28036 1 417 . 1 1 112 112 PHE N N 15 118.386 . . . . . . . . 324 F N . 28036 1 418 . 1 1 113 113 ILE H H 1 8.040 . . . . . . . . 325 I HN . 28036 1 419 . 1 1 113 113 ILE C C 13 178.585 . . . . . . . . 325 I C . 28036 1 420 . 1 1 113 113 ILE CA C 13 64.438 . . . . . . . . 325 I CA . 28036 1 421 . 1 1 113 113 ILE CB C 13 36.625 . . . . . . . . 325 I CB . 28036 1 422 . 1 1 113 113 ILE N N 15 118.716 . . . . . . . . 325 I N . 28036 1 423 . 1 1 114 114 THR H H 1 7.942 . . . . . . . . 326 T HN . 28036 1 424 . 1 1 114 114 THR C C 13 176.190 . . . . . . . . 326 T C . 28036 1 425 . 1 1 114 114 THR CA C 13 66.142 . . . . . . . . 326 T CA . 28036 1 426 . 1 1 114 114 THR CB C 13 68.244 . . . . . . . . 326 T CB . 28036 1 427 . 1 1 114 114 THR N N 15 117.559 . . . . . . . . 326 T N . 28036 1 428 . 1 1 115 115 LEU H H 1 7.714 . . . . . . . . 327 L HN . 28036 1 429 . 1 1 115 115 LEU C C 13 177.745 . . . . . . . . 327 L C . 28036 1 430 . 1 1 115 115 LEU CA C 13 57.400 . . . . . . . . 327 L CA . 28036 1 431 . 1 1 115 115 LEU CB C 13 40.977 . . . . . . . . 327 L CB . 28036 1 432 . 1 1 115 115 LEU N N 15 122.231 . . . . . . . . 327 L N . 28036 1 433 . 1 1 116 116 ALA H H 1 8.001 . . . . . . . . 328 A HN . 28036 1 434 . 1 1 116 116 ALA C C 13 178.526 . . . . . . . . 328 A C . 28036 1 435 . 1 1 116 116 ALA CA C 13 54.207 . . . . . . . . 328 A CA . 28036 1 436 . 1 1 116 116 ALA CB C 13 17.924 . . . . . . . . 328 A CB . 28036 1 437 . 1 1 116 116 ALA N N 15 119.279 . . . . . . . . 328 A N . 28036 1 438 . 1 1 117 117 THR H H 1 7.726 . . . . . . . . 329 T HN . 28036 1 439 . 1 1 117 117 THR C C 13 175.717 . . . . . . . . 329 T C . 28036 1 440 . 1 1 117 117 THR CA C 13 64.638 . . . . . . . . 329 T CA . 28036 1 441 . 1 1 117 117 THR CB C 13 68.882 . . . . . . . . 329 T CB . 28036 1 442 . 1 1 117 117 THR N N 15 111.042 . . . . . . . . 329 T N . 28036 1 443 . 1 1 118 118 VAL H H 1 7.748 . . . . . . . . 330 V HN . 28036 1 444 . 1 1 118 118 VAL C C 13 177.640 . . . . . . . . 330 V C . 28036 1 445 . 1 1 118 118 VAL CA C 13 64.532 . . . . . . . . 330 V CA . 28036 1 446 . 1 1 118 118 VAL CB C 13 31.311 . . . . . . . . 330 V CB . 28036 1 447 . 1 1 118 118 VAL N N 15 121.937 . . . . . . . . 330 V N . 28036 1 448 . 1 1 119 119 VAL H H 1 7.791 . . . . . . . . 331 V HN . 28036 1 449 . 1 1 119 119 VAL C C 13 176.599 . . . . . . . . 331 V C . 28036 1 450 . 1 1 119 119 VAL CA C 13 64.045 . . . . . . . . 331 V CA . 28036 1 451 . 1 1 119 119 VAL CB C 13 31.009 . . . . . . . . 331 V CB . 28036 1 452 . 1 1 119 119 VAL N N 15 119.519 . . . . . . . . 331 V N . 28036 1 453 . 1 1 120 120 ALA H H 1 7.886 . . . . . . . . 332 A HN . 28036 1 454 . 1 1 120 120 ALA C C 13 178.397 . . . . . . . . 332 A C . 28036 1 455 . 1 1 120 120 ALA CA C 13 53.146 . . . . . . . . 332 A CA . 28036 1 456 . 1 1 120 120 ALA CB C 13 18.404 . . . . . . . . 332 A CB . 28036 1 457 . 1 1 120 120 ALA N N 15 123.116 . . . . . . . . 332 A N . 28036 1 458 . 1 1 121 121 GLU H H 1 7.885 . . . . . . . . 333 E HN . 28036 1 459 . 1 1 121 121 GLU C C 13 177.248 . . . . . . . . 333 E C . 28036 1 460 . 1 1 121 121 GLU CA C 13 56.892 . . . . . . . . 333 E CA . 28036 1 461 . 1 1 121 121 GLU CB C 13 29.315 . . . . . . . . 333 E CB . 28036 1 462 . 1 1 121 121 GLU N N 15 118.256 . . . . . . . . 333 E N . 28036 1 463 . 1 1 122 122 GLU H H 1 8.031 . . . . . . . . 334 E HN . 28036 1 464 . 1 1 122 122 GLU C C 13 176.878 . . . . . . . . 334 E C . 28036 1 465 . 1 1 122 122 GLU CA C 13 56.327 . . . . . . . . 334 E CA . 28036 1 466 . 1 1 122 122 GLU CB C 13 29.406 . . . . . . . . 334 E CB . 28036 1 467 . 1 1 122 122 GLU N N 15 120.297 . . . . . . . . 334 E N . 28036 1 468 . 1 1 123 123 GLU H H 1 8.162 . . . . . . . . 335 E HN . 28036 1 469 . 1 1 123 123 GLU C C 13 176.464 . . . . . . . . 335 E C . 28036 1 470 . 1 1 123 123 GLU CA C 13 56.942 . . . . . . . . 335 E CA . 28036 1 471 . 1 1 123 123 GLU CB C 13 29.217 . . . . . . . . 335 E CB . 28036 1 472 . 1 1 123 123 GLU N N 15 121.106 . . . . . . . . 335 E N . 28036 1 473 . 1 1 124 124 ASP H H 1 8.215 . . . . . . . . 336 D HN . 28036 1 474 . 1 1 124 124 ASP C C 13 176.630 . . . . . . . . 336 D C . 28036 1 475 . 1 1 124 124 ASP CA C 13 54.649 . . . . . . . . 336 D CA . 28036 1 476 . 1 1 124 124 ASP CB C 13 40.616 . . . . . . . . 336 D CB . 28036 1 477 . 1 1 124 124 ASP N N 15 120.259 . . . . . . . . 336 D N . 28036 1 478 . 1 1 125 125 THR H H 1 7.875 . . . . . . . . 337 T HN . 28036 1 479 . 1 1 125 125 THR C C 13 174.581 . . . . . . . . 337 T C . 28036 1 480 . 1 1 125 125 THR CA C 13 62.213 . . . . . . . . 337 T CA . 28036 1 481 . 1 1 125 125 THR CB C 13 69.266 . . . . . . . . 337 T CB . 28036 1 482 . 1 1 125 125 THR N N 15 113.546 . . . . . . . . 337 T N . 28036 1 483 . 1 1 126 126 LEU H H 1 7.912 . . . . . . . . 338 L HN . 28036 1 484 . 1 1 126 126 LEU C C 13 176.259 . . . . . . . . 338 L C . 28036 1 485 . 1 1 126 126 LEU CA C 13 54.978 . . . . . . . . 338 L CA . 28036 1 486 . 1 1 126 126 LEU CB C 13 41.522 . . . . . . . . 338 L CB . 28036 1 487 . 1 1 126 126 LEU N N 15 122.813 . . . . . . . . 338 L N . 28036 1 488 . 1 1 127 127 ASN H H 1 8.116 . . . . . . . . 339 N HN . 28036 1 489 . 1 1 127 127 ASN C C 13 174.286 . . . . . . . . 339 N C . 28036 1 490 . 1 1 127 127 ASN CA C 13 52.527 . . . . . . . . 339 N CA . 28036 1 491 . 1 1 127 127 ASN CB C 13 38.642 . . . . . . . . 339 N CB . 28036 1 492 . 1 1 127 127 ASN N N 15 119.572 . . . . . . . . 339 N N . 28036 1 493 . 1 1 128 128 LEU H H 1 7.934 . . . . . . . . 340 L HN . 28036 1 494 . 1 1 128 128 LEU C C 13 174.971 . . . . . . . . 340 L C . 28036 1 495 . 1 1 128 128 LEU CA C 13 52.754 . . . . . . . . 340 L CA . 28036 1 496 . 1 1 128 128 LEU CB C 13 40.887 . . . . . . . . 340 L CB . 28036 1 497 . 1 1 128 128 LEU N N 15 122.464 . . . . . . . . 340 L N . 28036 1 498 . 1 1 129 129 PRO C C 13 175.757 . . . . . . . . 341 P C . 28036 1 499 . 1 1 129 129 PRO CA C 13 62.610 . . . . . . . . 341 P CA . 28036 1 500 . 1 1 130 130 LYS H H 1 7.969 . . . . . . . . 342 K HN . 28036 1 501 . 1 1 130 130 LYS C C 13 175.936 . . . . . . . . 342 K C . 28036 1 502 . 1 1 130 130 LYS CA C 13 55.167 . . . . . . . . 342 K CA . 28036 1 503 . 1 1 130 130 LYS CB C 13 32.446 . . . . . . . . 342 K CB . 28036 1 504 . 1 1 130 130 LYS N N 15 119.913 . . . . . . . . 342 K N . 28036 1 505 . 1 1 131 131 ALA H H 1 8.099 . . . . . . . . 343 A HN . 28036 1 506 . 1 1 131 131 ALA C C 13 175.743 . . . . . . . . 343 A C . 28036 1 507 . 1 1 131 131 ALA CA C 13 49.925 . . . . . . . . 343 A CA . 28036 1 508 . 1 1 131 131 ALA CB C 13 17.786 . . . . . . . . 343 A CB . 28036 1 509 . 1 1 131 131 ALA N N 15 125.328 . . . . . . . . 343 A N . 28036 1 510 . 1 1 132 132 PRO C C 13 176.116 . . . . . . . . 344 P C . 28036 1 511 . 1 1 132 132 PRO CA C 13 62.764 . . . . . . . . 344 P CA . 28036 1 512 . 1 1 132 132 PRO CB C 13 30.791 . . . . . . . . 344 P CB . 28036 1 513 . 1 1 133 133 VAL H H 1 7.707 . . . . . . . . 345 V HN . 28036 1 514 . 1 1 133 133 VAL C C 13 175.389 . . . . . . . . 345 V C . 28036 1 515 . 1 1 133 133 VAL CA C 13 61.067 . . . . . . . . 345 V CA . 28036 1 516 . 1 1 133 133 VAL CB C 13 32.540 . . . . . . . . 345 V CB . 28036 1 517 . 1 1 133 133 VAL N N 15 117.879 . . . . . . . . 345 V N . 28036 1 518 . 1 1 134 134 SER H H 1 8.230 . . . . . . . . 346 S HN . 28036 1 519 . 1 1 134 134 SER C C 13 175.386 . . . . . . . . 346 S C . 28036 1 520 . 1 1 134 134 SER CA C 13 55.631 . . . . . . . . 346 S CA . 28036 1 521 . 1 1 134 134 SER CB C 13 63.499 . . . . . . . . 346 S CB . 28036 1 522 . 1 1 134 134 SER N N 15 119.437 . . . . . . . . 346 S N . 28036 1 523 . 1 1 135 135 PRO C C 13 177.019 . . . . . . . . 347 P C . 28036 1 524 . 1 1 135 135 PRO CA C 13 63.481 . . . . . . . . 347 P CA . 28036 1 525 . 1 1 135 135 PRO CB C 13 31.107 . . . . . . . . 347 P CB . 28036 1 526 . 1 1 136 136 GLN H H 1 8.212 . . . . . . . . 348 Q HN . 28036 1 527 . 1 1 136 136 GLN C C 13 175.876 . . . . . . . . 348 Q C . 28036 1 528 . 1 1 136 136 GLN CA C 13 56.059 . . . . . . . . 348 Q CA . 28036 1 529 . 1 1 136 136 GLN CB C 13 28.543 . . . . . . . . 348 Q CB . 28036 1 530 . 1 1 136 136 GLN N N 15 118.547 . . . . . . . . 348 Q N . 28036 1 531 . 1 1 137 137 ASP H H 1 7.965 . . . . . . . . 349 D HN . 28036 1 532 . 1 1 137 137 ASP C C 13 176.107 . . . . . . . . 349 D C . 28036 1 533 . 1 1 137 137 ASP CA C 13 54.147 . . . . . . . . 349 D CA . 28036 1 534 . 1 1 137 137 ASP CB C 13 40.798 . . . . . . . . 349 D CB . 28036 1 535 . 1 1 137 137 ASP N N 15 120.616 . . . . . . . . 349 D N . 28036 1 536 . 1 1 138 138 LYS H H 1 8.011 . . . . . . . . 350 K HN . 28036 1 537 . 1 1 138 138 LYS C C 13 176.847 . . . . . . . . 350 K C . 28036 1 538 . 1 1 138 138 LYS CA C 13 56.307 . . . . . . . . 350 K CA . 28036 1 539 . 1 1 138 138 LYS CB C 13 31.969 . . . . . . . . 350 K CB . 28036 1 540 . 1 1 138 138 LYS N N 15 121.609 . . . . . . . . 350 K N . 28036 1 541 . 1 1 139 139 SER H H 1 8.263 . . . . . . . . 351 S HN . 28036 1 542 . 1 1 139 139 SER C C 13 175.303 . . . . . . . . 351 S C . 28036 1 543 . 1 1 139 139 SER CA C 13 58.813 . . . . . . . . 351 S CA . 28036 1 544 . 1 1 139 139 SER CB C 13 63.395 . . . . . . . . 351 S CB . 28036 1 545 . 1 1 139 139 SER N N 15 116.724 . . . . . . . . 351 S N . 28036 1 546 . 1 1 140 140 SER H H 1 8.208 . . . . . . . . 352 S HN . 28036 1 547 . 1 1 140 140 SER C C 13 174.901 . . . . . . . . 352 S C . 28036 1 548 . 1 1 140 140 SER CA C 13 59.138 . . . . . . . . 352 S CA . 28036 1 549 . 1 1 140 140 SER CB C 13 63.151 . . . . . . . . 352 S CB . 28036 1 550 . 1 1 140 140 SER N N 15 118.089 . . . . . . . . 352 S N . 28036 1 551 . 1 1 141 141 ASN H H 1 8.271 . . . . . . . . 353 N HN . 28036 1 552 . 1 1 141 141 ASN C C 13 176.295 . . . . . . . . 353 N C . 28036 1 553 . 1 1 141 141 ASN CA C 13 54.298 . . . . . . . . 353 N CA . 28036 1 554 . 1 1 141 141 ASN CB C 13 38.079 . . . . . . . . 353 N CB . 28036 1 555 . 1 1 141 141 ASN N N 15 120.810 . . . . . . . . 353 N N . 28036 1 556 . 1 1 142 142 GLN H H 1 8.216 . . . . . . . . 354 Q HN . 28036 1 557 . 1 1 142 142 GLN C C 13 176.911 . . . . . . . . 354 Q C . 28036 1 558 . 1 1 142 142 GLN CA C 13 57.389 . . . . . . . . 354 Q CA . 28036 1 559 . 1 1 142 142 GLN CB C 13 28.070 . . . . . . . . 354 Q CB . 28036 1 560 . 1 1 142 142 GLN N N 15 121.428 . . . . . . . . 354 Q N . 28036 1 561 . 1 1 143 143 ALA H H 1 8.129 . . . . . . . . 355 A HN . 28036 1 562 . 1 1 143 143 ALA C C 13 179.770 . . . . . . . . 355 A C . 28036 1 563 . 1 1 143 143 ALA CA C 13 54.617 . . . . . . . . 355 A CA . 28036 1 564 . 1 1 143 143 ALA CB C 13 18.009 . . . . . . . . 355 A CB . 28036 1 565 . 1 1 143 143 ALA N N 15 123.026 . . . . . . . . 355 A N . 28036 1 566 . 1 1 144 144 MET H H 1 8.271 . . . . . . . . 356 M HN . 28036 1 567 . 1 1 144 144 MET C C 13 177.574 . . . . . . . . 356 M C . 28036 1 568 . 1 1 144 144 MET CA C 13 58.094 . . . . . . . . 356 M CA . 28036 1 569 . 1 1 144 144 MET CB C 13 32.137 . . . . . . . . 356 M CB . 28036 1 570 . 1 1 144 144 MET N N 15 117.520 . . . . . . . . 356 M N . 28036 1 571 . 1 1 145 145 SER H H 1 7.980 . . . . . . . . 357 S HN . 28036 1 572 . 1 1 145 145 SER C C 13 176.027 . . . . . . . . 357 S C . 28036 1 573 . 1 1 145 145 SER CA C 13 61.723 . . . . . . . . 357 S CA . 28036 1 574 . 1 1 145 145 SER CB C 13 62.816 . . . . . . . . 357 S CB . 28036 1 575 . 1 1 145 145 SER N N 15 114.788 . . . . . . . . 357 S N . 28036 1 576 . 1 1 146 146 LEU H H 1 7.841 . . . . . . . . 358 L HN . 28036 1 577 . 1 1 146 146 LEU C C 13 179.328 . . . . . . . . 358 L C . 28036 1 578 . 1 1 146 146 LEU CA C 13 57.270 . . . . . . . . 358 L CA . 28036 1 579 . 1 1 146 146 LEU CB C 13 40.691 . . . . . . . . 358 L CB . 28036 1 580 . 1 1 146 146 LEU N N 15 121.182 . . . . . . . . 358 L N . 28036 1 581 . 1 1 147 147 ALA H H 1 7.851 . . . . . . . . 359 A HN . 28036 1 582 . 1 1 147 147 ALA C C 13 179.321 . . . . . . . . 359 A C . 28036 1 583 . 1 1 147 147 ALA CA C 13 55.011 . . . . . . . . 359 A CA . 28036 1 584 . 1 1 147 147 ALA CB C 13 17.772 . . . . . . . . 359 A CB . 28036 1 585 . 1 1 147 147 ALA N N 15 122.285 . . . . . . . . 359 A N . 28036 1 586 . 1 1 148 148 ILE H H 1 7.908 . . . . . . . . 360 I HN . 28036 1 587 . 1 1 148 148 ILE C C 13 177.808 . . . . . . . . 360 I C . 28036 1 588 . 1 1 148 148 ILE CA C 13 64.453 . . . . . . . . 360 I CA . 28036 1 589 . 1 1 148 148 ILE CB C 13 36.833 . . . . . . . . 360 I CB . 28036 1 590 . 1 1 148 148 ILE N N 15 117.066 . . . . . . . . 360 I N . 28036 1 591 . 1 1 149 149 LEU H H 1 8.001 . . . . . . . . 361 L HN . 28036 1 592 . 1 1 149 149 LEU C C 13 179.239 . . . . . . . . 361 L C . 28036 1 593 . 1 1 149 149 LEU CA C 13 57.843 . . . . . . . . 361 L CA . 28036 1 594 . 1 1 149 149 LEU CB C 13 40.590 . . . . . . . . 361 L CB . 28036 1 595 . 1 1 149 149 LEU N N 15 119.954 . . . . . . . . 361 L N . 28036 1 596 . 1 1 150 150 ARG H H 1 7.946 . . . . . . . . 362 R HN . 28036 1 597 . 1 1 150 150 ARG C C 13 178.937 . . . . . . . . 362 R C . 28036 1 598 . 1 1 150 150 ARG CA C 13 59.060 . . . . . . . . 362 R CA . 28036 1 599 . 1 1 150 150 ARG CB C 13 29.084 . . . . . . . . 362 R CB . 28036 1 600 . 1 1 150 150 ARG N N 15 118.745 . . . . . . . . 362 R N . 28036 1 601 . 1 1 151 151 VAL H H 1 7.810 . . . . . . . . 363 V HN . 28036 1 602 . 1 1 151 151 VAL C C 13 177.464 . . . . . . . . 363 V C . 28036 1 603 . 1 1 151 151 VAL CA C 13 66.447 . . . . . . . . 363 V CA . 28036 1 604 . 1 1 151 151 VAL CB C 13 30.822 . . . . . . . . 363 V CB . 28036 1 605 . 1 1 151 151 VAL N N 15 119.484 . . . . . . . . 363 V N . 28036 1 606 . 1 1 152 152 ILE H H 1 8.248 . . . . . . . . 364 I HN . 28036 1 607 . 1 1 152 152 ILE C C 13 177.567 . . . . . . . . 364 I C . 28036 1 608 . 1 1 152 152 ILE CA C 13 65.336 . . . . . . . . 364 I CA . 28036 1 609 . 1 1 152 152 ILE CB C 13 36.625 . . . . . . . . 364 I CB . 28036 1 610 . 1 1 152 152 ILE N N 15 120.074 . . . . . . . . 364 I N . 28036 1 611 . 1 1 153 153 ARG H H 1 7.992 . . . . . . . . 365 R HN . 28036 1 612 . 1 1 153 153 ARG C C 13 179.029 . . . . . . . . 365 R C . 28036 1 613 . 1 1 153 153 ARG CA C 13 59.420 . . . . . . . . 365 R CA . 28036 1 614 . 1 1 153 153 ARG CB C 13 29.172 . . . . . . . . 365 R CB . 28036 1 615 . 1 1 153 153 ARG N N 15 118.700 . . . . . . . . 365 R N . 28036 1 616 . 1 1 154 154 LEU H H 1 7.792 . . . . . . . . 366 L HN . 28036 1 617 . 1 1 154 154 LEU C C 13 179.485 . . . . . . . . 366 L C . 28036 1 618 . 1 1 154 154 LEU CA C 13 57.550 . . . . . . . . 366 L CA . 28036 1 619 . 1 1 154 154 LEU CB C 13 41.139 . . . . . . . . 366 L CB . 28036 1 620 . 1 1 154 154 LEU N N 15 120.823 . . . . . . . . 366 L N . 28036 1 621 . 1 1 155 155 VAL H H 1 8.226 . . . . . . . . 367 V HN . 28036 1 622 . 1 1 155 155 VAL C C 13 178.502 . . . . . . . . 367 V C . 28036 1 623 . 1 1 155 155 VAL CA C 13 66.071 . . . . . . . . 367 V CA . 28036 1 624 . 1 1 155 155 VAL CB C 13 30.895 . . . . . . . . 367 V CB . 28036 1 625 . 1 1 155 155 VAL N N 15 118.381 . . . . . . . . 367 V N . 28036 1 626 . 1 1 156 156 ARG H H 1 8.218 . . . . . . . . 368 R HN . 28036 1 627 . 1 1 156 156 ARG C C 13 176.925 . . . . . . . . 368 R C . 28036 1 628 . 1 1 156 156 ARG CA C 13 58.269 . . . . . . . . 368 R CA . 28036 1 629 . 1 1 156 156 ARG CB C 13 29.331 . . . . . . . . 368 R CB . 28036 1 630 . 1 1 156 156 ARG N N 15 118.637 . . . . . . . . 368 R N . 28036 1 631 . 1 1 157 157 SER H H 1 7.622 . . . . . . . . 369 S HN . 28036 1 632 . 1 1 157 157 SER C C 13 174.369 . . . . . . . . 369 S C . 28036 1 633 . 1 1 157 157 SER CA C 13 58.907 . . . . . . . . 369 S CA . 28036 1 634 . 1 1 157 157 SER CB C 13 63.722 . . . . . . . . 369 S CB . 28036 1 635 . 1 1 157 157 SER N N 15 113.065 . . . . . . . . 369 S N . 28036 1 636 . 1 1 158 158 SER H H 1 7.674 . . . . . . . . 370 S HN . 28036 1 637 . 1 1 158 158 SER C C 13 176.169 . . . . . . . . 370 S C . 28036 1 638 . 1 1 158 158 SER CA C 13 58.961 . . . . . . . . 370 S CA . 28036 1 639 . 1 1 158 158 SER CB C 13 64.409 . . . . . . . . 370 S CB . 28036 1 640 . 1 1 158 158 SER N N 15 117.541 . . . . . . . . 370 S N . 28036 1 641 . 1 1 159 159 ARG H H 1 7.694 . . . . . . . . 371 R HN . 28036 1 642 . 1 1 159 159 ARG C C 13 177.406 . . . . . . . . 371 R C . 28036 1 643 . 1 1 159 159 ARG CA C 13 56.600 . . . . . . . . 371 R CA . 28036 1 644 . 1 1 159 159 ARG CB C 13 31.559 . . . . . . . . 371 R CB . 28036 1 645 . 1 1 159 159 ARG N N 15 119.977 . . . . . . . . 371 R N . 28036 1 646 . 1 1 160 160 ILE C C 13 176.191 . . . . . . . . 372 I C . 28036 1 647 . 1 1 160 160 ILE CA C 13 63.195 . . . . . . . . 372 I CA . 28036 1 648 . 1 1 161 161 PHE H H 1 7.506 . . . . . . . . 373 F HN . 28036 1 649 . 1 1 161 161 PHE C C 13 176.356 . . . . . . . . 373 F C . 28036 1 650 . 1 1 161 161 PHE CA C 13 59.246 . . . . . . . . 373 F CA . 28036 1 651 . 1 1 161 161 PHE CB C 13 38.435 . . . . . . . . 373 F CB . 28036 1 652 . 1 1 161 161 PHE N N 15 118.925 . . . . . . . . 373 F N . 28036 1 653 . 1 1 162 162 LYS H H 1 7.719 . . . . . . . . 374 K HN . 28036 1 654 . 1 1 162 162 LYS C C 13 177.743 . . . . . . . . 374 K C . 28036 1 655 . 1 1 162 162 LYS CA C 13 57.204 . . . . . . . . 374 K CA . 28036 1 656 . 1 1 162 162 LYS CB C 13 31.686 . . . . . . . . 374 K CB . 28036 1 657 . 1 1 162 162 LYS N N 15 119.912 . . . . . . . . 374 K N . 28036 1 658 . 1 1 163 163 LEU H H 1 7.930 . . . . . . . . 375 L HN . 28036 1 659 . 1 1 163 163 LEU C C 13 177.810 . . . . . . . . 375 L C . 28036 1 660 . 1 1 163 163 LEU CA C 13 56.207 . . . . . . . . 375 L CA . 28036 1 661 . 1 1 163 163 LEU CB C 13 41.411 . . . . . . . . 375 L CB . 28036 1 662 . 1 1 163 163 LEU N N 15 120.762 . . . . . . . . 375 L N . 28036 1 663 . 1 1 164 164 SER H H 1 7.938 . . . . . . . . 376 S HN . 28036 1 664 . 1 1 164 164 SER C C 13 175.439 . . . . . . . . 376 S C . 28036 1 665 . 1 1 164 164 SER CA C 13 60.028 . . . . . . . . 376 S CA . 28036 1 666 . 1 1 164 164 SER CB C 13 63.222 . . . . . . . . 376 S CB . 28036 1 667 . 1 1 164 164 SER N N 15 114.265 . . . . . . . . 376 S N . 28036 1 668 . 1 1 165 165 ARG H H 1 7.739 . . . . . . . . 377 R HN . 28036 1 669 . 1 1 165 165 ARG C C 13 176.252 . . . . . . . . 377 R C . 28036 1 670 . 1 1 165 165 ARG CA C 13 56.958 . . . . . . . . 377 R CA . 28036 1 671 . 1 1 165 165 ARG CB C 13 29.072 . . . . . . . . 377 R CB . 28036 1 672 . 1 1 165 165 ARG N N 15 120.862 . . . . . . . . 377 R N . 28036 1 673 . 1 1 166 166 HIS H H 1 7.780 . . . . . . . . 378 H HN . 28036 1 674 . 1 1 166 166 HIS C C 13 175.189 . . . . . . . . 378 H C . 28036 1 675 . 1 1 166 166 HIS CA C 13 55.498 . . . . . . . . 378 H CA . 28036 1 676 . 1 1 166 166 HIS CB C 13 29.300 . . . . . . . . 378 H CB . 28036 1 677 . 1 1 166 166 HIS N N 15 117.104 . . . . . . . . 378 H N . 28036 1 678 . 1 1 167 167 SER H H 1 7.636 . . . . . . . . 379 S HN . 28036 1 679 . 1 1 167 167 SER C C 13 175.813 . . . . . . . . 379 S C . 28036 1 680 . 1 1 167 167 SER CA C 13 59.241 . . . . . . . . 379 S CA . 28036 1 681 . 1 1 167 167 SER CB C 13 63.468 . . . . . . . . 379 S CB . 28036 1 682 . 1 1 167 167 SER N N 15 115.775 . . . . . . . . 379 S N . 28036 1 683 . 1 1 168 168 LYS H H 1 8.748 . . . . . . . . 380 K HN . 28036 1 684 . 1 1 168 168 LYS C C 13 178.837 . . . . . . . . 380 K C . 28036 1 685 . 1 1 168 168 LYS CA C 13 58.410 . . . . . . . . 380 K CA . 28036 1 686 . 1 1 168 168 LYS CB C 13 31.110 . . . . . . . . 380 K CB . 28036 1 687 . 1 1 168 168 LYS N N 15 126.168 . . . . . . . . 380 K N . 28036 1 688 . 1 1 169 169 GLY H H 1 8.591 . . . . . . . . 381 G HN . 28036 1 689 . 1 1 169 169 GLY C C 13 175.086 . . . . . . . . 381 G C . 28036 1 690 . 1 1 169 169 GLY CA C 13 46.963 . . . . . . . . 381 G CA . 28036 1 691 . 1 1 169 169 GLY N N 15 106.886 . . . . . . . . 381 G N . 28036 1 692 . 1 1 170 170 LEU H H 1 7.804 . . . . . . . . 382 L HN . 28036 1 693 . 1 1 170 170 LEU C C 13 178.833 . . . . . . . . 382 L C . 28036 1 694 . 1 1 170 170 LEU CA C 13 57.304 . . . . . . . . 382 L CA . 28036 1 695 . 1 1 170 170 LEU CB C 13 40.585 . . . . . . . . 382 L CB . 28036 1 696 . 1 1 170 170 LEU N N 15 120.303 . . . . . . . . 382 L N . 28036 1 697 . 1 1 171 171 GLN H H 1 7.852 . . . . . . . . 383 Q HN . 28036 1 698 . 1 1 171 171 GLN C C 13 178.830 . . . . . . . . 383 Q C . 28036 1 699 . 1 1 171 171 GLN CA C 13 58.858 . . . . . . . . 383 Q CA . 28036 1 700 . 1 1 171 171 GLN CB C 13 27.664 . . . . . . . . 383 Q CB . 28036 1 701 . 1 1 171 171 GLN N N 15 118.917 . . . . . . . . 383 Q N . 28036 1 702 . 1 1 172 172 ILE H H 1 7.979 . . . . . . . . 384 I HN . 28036 1 703 . 1 1 172 172 ILE C C 13 179.066 . . . . . . . . 384 I C . 28036 1 704 . 1 1 172 172 ILE CA C 13 64.294 . . . . . . . . 384 I CA . 28036 1 705 . 1 1 172 172 ILE CB C 13 37.158 . . . . . . . . 384 I CB . 28036 1 706 . 1 1 172 172 ILE N N 15 119.994 . . . . . . . . 384 I N . 28036 1 707 . 1 1 173 173 LEU H H 1 8.082 . . . . . . . . 385 L HN . 28036 1 708 . 1 1 173 173 LEU C C 13 178.675 . . . . . . . . 385 L C . 28036 1 709 . 1 1 173 173 LEU CA C 13 58.042 . . . . . . . . 385 L CA . 28036 1 710 . 1 1 173 173 LEU CB C 13 40.751 . . . . . . . . 385 L CB . 28036 1 711 . 1 1 173 173 LEU N N 15 123.093 . . . . . . . . 385 L N . 28036 1 712 . 1 1 174 174 GLY H H 1 8.526 . . . . . . . . 386 G HN . 28036 1 713 . 1 1 174 174 GLY C C 13 175.316 . . . . . . . . 386 G C . 28036 1 714 . 1 1 174 174 GLY CA C 13 47.444 . . . . . . . . 386 G CA . 28036 1 715 . 1 1 174 174 GLY N N 15 106.202 . . . . . . . . 386 G N . 28036 1 716 . 1 1 175 175 ARG H H 1 8.074 . . . . . . . . 387 R HN . 28036 1 717 . 1 1 175 175 ARG C C 13 179.023 . . . . . . . . 387 R C . 28036 1 718 . 1 1 175 175 ARG CA C 13 59.084 . . . . . . . . 387 R CA . 28036 1 719 . 1 1 175 175 ARG CB C 13 29.527 . . . . . . . . 387 R CB . 28036 1 720 . 1 1 175 175 ARG N N 15 120.787 . . . . . . . . 387 R N . 28036 1 721 . 1 1 176 176 THR H H 1 7.998 . . . . . . . . 388 T HN . 28036 1 722 . 1 1 176 176 THR C C 13 176.538 . . . . . . . . 388 T C . 28036 1 723 . 1 1 176 176 THR CA C 13 66.270 . . . . . . . . 388 T CA . 28036 1 724 . 1 1 176 176 THR CB C 13 68.256 . . . . . . . . 388 T CB . 28036 1 725 . 1 1 176 176 THR N N 15 117.299 . . . . . . . . 388 T N . 28036 1 726 . 1 1 177 177 LEU H H 1 8.254 . . . . . . . . 389 L HN . 28036 1 727 . 1 1 177 177 LEU C C 13 178.443 . . . . . . . . 389 L C . 28036 1 728 . 1 1 177 177 LEU CA C 13 57.638 . . . . . . . . 389 L CA . 28036 1 729 . 1 1 177 177 LEU CB C 13 40.750 . . . . . . . . 389 L CB . 28036 1 730 . 1 1 177 177 LEU N N 15 123.035 . . . . . . . . 389 L N . 28036 1 731 . 1 1 178 178 LYS H H 1 7.999 . . . . . . . . 390 K HN . 28036 1 732 . 1 1 178 178 LYS C C 13 178.341 . . . . . . . . 390 K C . 28036 1 733 . 1 1 178 178 LYS CA C 13 59.066 . . . . . . . . 390 K CA . 28036 1 734 . 1 1 178 178 LYS CB C 13 31.472 . . . . . . . . 390 K CB . 28036 1 735 . 1 1 178 178 LYS N N 15 118.571 . . . . . . . . 390 K N . 28036 1 736 . 1 1 179 179 ALA H H 1 7.804 . . . . . . . . 391 A HN . 28036 1 737 . 1 1 179 179 ALA C C 13 179.637 . . . . . . . . 391 A C . 28036 1 738 . 1 1 179 179 ALA CA C 13 54.076 . . . . . . . . 391 A CA . 28036 1 739 . 1 1 179 179 ALA CB C 13 17.847 . . . . . . . . 391 A CB . 28036 1 740 . 1 1 179 179 ALA N N 15 120.682 . . . . . . . . 391 A N . 28036 1 741 . 1 1 180 180 SER H H 1 7.864 . . . . . . . . 392 S HN . 28036 1 742 . 1 1 180 180 SER C C 13 175.127 . . . . . . . . 392 S C . 28036 1 743 . 1 1 180 180 SER CA C 13 60.936 . . . . . . . . 392 S CA . 28036 1 744 . 1 1 180 180 SER CB C 13 63.525 . . . . . . . . 392 S CB . 28036 1 745 . 1 1 180 180 SER N N 15 113.947 . . . . . . . . 392 S N . 28036 1 746 . 1 1 181 181 MET H H 1 7.707 . . . . . . . . 393 M HN . 28036 1 747 . 1 1 181 181 MET C C 13 176.930 . . . . . . . . 393 M C . 28036 1 748 . 1 1 181 181 MET CA C 13 56.503 . . . . . . . . 393 M CA . 28036 1 749 . 1 1 181 181 MET CB C 13 32.251 . . . . . . . . 393 M CB . 28036 1 750 . 1 1 181 181 MET N N 15 119.718 . . . . . . . . 393 M N . 28036 1 751 . 1 1 182 182 ARG H H 1 7.653 . . . . . . . . 394 R HN . 28036 1 752 . 1 1 182 182 ARG C C 13 176.886 . . . . . . . . 394 R C . 28036 1 753 . 1 1 182 182 ARG CA C 13 56.942 . . . . . . . . 394 R CA . 28036 1 754 . 1 1 182 182 ARG CB C 13 29.715 . . . . . . . . 394 R CB . 28036 1 755 . 1 1 182 182 ARG N N 15 119.195 . . . . . . . . 394 R N . 28036 1 756 . 1 1 183 183 GLU H H 1 7.929 . . . . . . . . 395 E HN . 28036 1 757 . 1 1 183 183 GLU C C 13 176.577 . . . . . . . . 395 E C . 28036 1 758 . 1 1 183 183 GLU CA C 13 56.309 . . . . . . . . 395 E CA . 28036 1 759 . 1 1 183 183 GLU CB C 13 29.152 . . . . . . . . 395 E CB . 28036 1 760 . 1 1 183 183 GLU N N 15 119.069 . . . . . . . . 395 E N . 28036 1 761 . 1 1 184 184 LEU H H 1 7.746 . . . . . . . . 396 L HN . 28036 1 762 . 1 1 184 184 LEU C C 13 176.672 . . . . . . . . 396 L C . 28036 1 763 . 1 1 184 184 LEU CA C 13 54.982 . . . . . . . . 396 L CA . 28036 1 764 . 1 1 184 184 LEU CB C 13 41.718 . . . . . . . . 396 L CB . 28036 1 765 . 1 1 184 184 LEU N N 15 121.418 . . . . . . . . 396 L N . 28036 1 766 . 1 1 185 185 GLY H H 1 7.626 . . . . . . . . 397 G HN . 28036 1 767 . 1 1 185 185 GLY C C 13 178.834 . . . . . . . . 397 G C . 28036 1 768 . 1 1 185 185 GLY CA C 13 45.888 . . . . . . . . 397 G CA . 28036 1 769 . 1 1 185 185 GLY N N 15 114.382 . . . . . . . . 397 G N . 28036 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 28036 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 28036 2 2 '3D HNCO' . . . 28036 2 3 '3D HNCA' . . . 28036 2 4 '3D HNCACB' . . . 28036 2 5 '3D HN(CO)CA' . . . 28036 2 6 '3D HCACO' . . . 28036 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 5 5 PHE H H 1 8.000 . . . . . . . . 217 F HN . 28036 2 2 . 1 1 5 5 PHE C C 13 175.167 . . . . . . . . 217 F C . 28036 2 3 . 1 1 5 5 PHE CA C 13 57.167 . . . . . . . . 217 F CA . 28036 2 4 . 1 1 5 5 PHE CB C 13 40.805 . . . . . . . . 217 F CB . 28036 2 5 . 1 1 5 5 PHE N N 15 120.257 . . . . . . . . 217 F N . 28036 2 6 . 1 1 6 6 GLU H H 1 8.201 . . . . . . . . 218 E HN . 28036 2 7 . 1 1 6 6 GLU C C 13 174.609 . . . . . . . . 218 E C . 28036 2 8 . 1 1 6 6 GLU CA C 13 55.768 . . . . . . . . 218 E CA . 28036 2 9 . 1 1 6 6 GLU CB C 13 29.915 . . . . . . . . 218 E CB . 28036 2 10 . 1 1 6 6 GLU N N 15 122.415 . . . . . . . . 218 E N . 28036 2 11 . 1 1 52 52 GLY C C 13 174.770 . . . . . . . . 264 G C . 28036 2 12 . 1 1 52 52 GLY CA C 13 45.271 . . . . . . . . 264 G CA . 28036 2 13 . 1 1 53 53 THR H H 1 8.113 . . . . . . . . 265 T HN . 28036 2 14 . 1 1 53 53 THR C C 13 174.605 . . . . . . . . 265 T C . 28036 2 15 . 1 1 53 53 THR CA C 13 61.969 . . . . . . . . 265 T CA . 28036 2 16 . 1 1 53 53 THR CB C 13 69.418 . . . . . . . . 265 T CB . 28036 2 17 . 1 1 53 53 THR N N 15 114.404 . . . . . . . . 265 T N . 28036 2 18 . 1 1 54 54 LYS H H 1 8.077 . . . . . . . . 266 K HN . 28036 2 19 . 1 1 54 54 LYS C C 13 176.202 . . . . . . . . 266 K C . 28036 2 20 . 1 1 54 54 LYS CA C 13 60.848 . . . . . . . . 266 K CA . 28036 2 21 . 1 1 54 54 LYS CB C 13 32.160 . . . . . . . . 266 K CB . 28036 2 22 . 1 1 54 54 LYS N N 15 124.372 . . . . . . . . 266 K N . 28036 2 23 . 1 1 55 55 ILE H H 1 7.994 . . . . . . . . 267 I HN . 28036 2 24 . 1 1 55 55 ILE C C 13 176.209 . . . . . . . . 267 I C . 28036 2 25 . 1 1 55 55 ILE CA C 13 60.879 . . . . . . . . 267 I CA . 28036 2 26 . 1 1 55 55 ILE CB C 13 37.916 . . . . . . . . 267 I CB . 28036 2 27 . 1 1 55 55 ILE N N 15 122.559 . . . . . . . . 267 I N . 28036 2 28 . 1 1 56 56 GLU H H 1 8.295 . . . . . . . . 268 E HN . 28036 2 29 . 1 1 56 56 GLU C C 13 176.388 . . . . . . . . 268 E C . 28036 2 30 . 1 1 56 56 GLU CA C 13 56.210 . . . . . . . . 268 E CA . 28036 2 31 . 1 1 56 56 GLU CB C 13 29.493 . . . . . . . . 268 E CB . 28036 2 32 . 1 1 56 56 GLU N N 15 124.387 . . . . . . . . 268 E N . 28036 2 33 . 1 1 58 58 ASP C C 13 175.911 . . . . . . . . 270 D C . 28036 2 34 . 1 1 58 58 ASP CA C 13 54.215 . . . . . . . . 270 D CA . 28036 2 35 . 1 1 58 58 ASP CB C 13 40.762 . . . . . . . . 270 D CB . 28036 2 36 . 1 1 59 59 GLU H H 1 8.027 . . . . . . . . 271 E HN . 28036 2 37 . 1 1 59 59 GLU C C 13 175.911 . . . . . . . . 271 E C . 28036 2 38 . 1 1 59 59 GLU CA C 13 55.902 . . . . . . . . 271 E CA . 28036 2 39 . 1 1 59 59 GLU CB C 13 29.874 . . . . . . . . 271 E CB . 28036 2 40 . 1 1 59 59 GLU N N 15 120.679 . . . . . . . . 271 E N . 28036 2 41 . 1 1 168 168 LYS C C 13 178.796 . . . . . . . . 380 K C . 28036 2 42 . 1 1 168 168 LYS CA C 13 58.375 . . . . . . . . 380 K CA . 28036 2 43 . 1 1 169 169 GLY H H 1 8.553 . . . . . . . . 381 G HN . 28036 2 44 . 1 1 169 169 GLY C C 13 175.069 . . . . . . . . 381 G C . 28036 2 45 . 1 1 169 169 GLY CA C 13 46.936 . . . . . . . . 381 G CA . 28036 2 46 . 1 1 169 169 GLY N N 15 106.791 . . . . . . . . 381 G N . 28036 2 47 . 1 1 170 170 LEU H H 1 7.779 . . . . . . . . 382 L HN . 28036 2 48 . 1 1 170 170 LEU C C 13 178.820 . . . . . . . . 382 L C . 28036 2 49 . 1 1 170 170 LEU CA C 13 57.293 . . . . . . . . 382 L CA . 28036 2 50 . 1 1 170 170 LEU CB C 13 40.541 . . . . . . . . 382 L CB . 28036 2 51 . 1 1 170 170 LEU N N 15 120.253 . . . . . . . . 382 L N . 28036 2 stop_ save_