data_52524 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52524 _Entry.Title ; PHL4 Resonance Assignments ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-06-25 _Entry.Accession_date 2024-06-25 _Entry.Last_release_date 2024-06-25 _Entry.Original_release_date 2024-06-25 _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 '13C 15N labeled PHL4 full-length protein partial assignments' _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 Blake Fonda . D. . 0000-0003-4952-908X 52524 2 Dylan Murray . T. . 0000-0002-2402-810X 52524 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of California Davis' . 52524 2 . 'University of Connecticut' . 52524 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52524 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 409 52524 '15N chemical shifts' 116 52524 '1H chemical shifts' 116 52524 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 . . 2024-08-15 . original BMRB . 52524 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52523 'WT TDP43 C-terminal Domain Fibril Assignments, His-tag removed' 52524 BMRB 52525 'PHL4 Effector Domain Assignments' 52524 BMRB 52526 'Phosphomimetic TDP43 Fibril Assignments' 52524 BMRB 52541 'Phosphomimetic TDP43 Soluble Assignments' 52524 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52524 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 39005418 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The Potent PHL4 Transcription Factor Effector Domain Contains Significant Disorder ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev bioRxiv _Citation.Journal_name_full 'bioRxiv : the preprint server for biology' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2692-8205 _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 2024 _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 Blake Fonda . D. . . 52524 1 2 Dylan Murray . T. . . 52524 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52524 _Assembly.ID 1 _Assembly.Name PHL4 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _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 PHL4 1 $entity_1 . . yes native no no . . . 52524 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52524 _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 ; GMIPNDDDDANSMKNYPLND DDANSMKNYPLNDDDANSME NYPLRSIPTELSHTCSLIPP SLPNPSEAAADMSFNSELNQ IMARPCDMLPANGGAVGHNP FLEPGFNCPETTDWIPSPLP HIYFPSGSPNLIMEDGVIDE IHKQSDLPLWYDDLITTDED PLMSSILGDLLLDTNFNSAS KVQQPSMQSQIQQPQAVLQQ PSSCVELRPLDRTVSSNSNN NSNSNNAAAAAKGRMRWTPE LHEVFVDAVNQLGGSNEATP KGVLKHMKVEGLTIFHVKSH LQKYRTAKYIPVPSEGSPEA RLTPLEQITSDDTKRGIDIT ETLRIQMEHQKKLHEQLESL RTMQLRIEEQGKALLMMIEK QNMGFGGPEQGEKTSAKTPE NGSEESESPRPKRPRNEE ; _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 398 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 44169 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q8GXC2 . PHL4 . . . . . . . . . . . . . . 52524 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 0 GLY . 52524 1 2 1 MET . 52524 1 3 2 ILE . 52524 1 4 3 PRO . 52524 1 5 4 ASN . 52524 1 6 5 ASP . 52524 1 7 6 ASP . 52524 1 8 7 ASP . 52524 1 9 8 ASP . 52524 1 10 9 ALA . 52524 1 11 10 ASN . 52524 1 12 11 SER . 52524 1 13 12 MET . 52524 1 14 13 LYS . 52524 1 15 14 ASN . 52524 1 16 15 TYR . 52524 1 17 16 PRO . 52524 1 18 17 LEU . 52524 1 19 18 ASN . 52524 1 20 19 ASP . 52524 1 21 20 ASP . 52524 1 22 21 ASP . 52524 1 23 22 ALA . 52524 1 24 23 ASN . 52524 1 25 24 SER . 52524 1 26 25 MET . 52524 1 27 26 LYS . 52524 1 28 27 ASN . 52524 1 29 28 TYR . 52524 1 30 29 PRO . 52524 1 31 30 LEU . 52524 1 32 31 ASN . 52524 1 33 32 ASP . 52524 1 34 33 ASP . 52524 1 35 34 ASP . 52524 1 36 35 ALA . 52524 1 37 36 ASN . 52524 1 38 37 SER . 52524 1 39 38 MET . 52524 1 40 39 GLU . 52524 1 41 40 ASN . 52524 1 42 41 TYR . 52524 1 43 42 PRO . 52524 1 44 43 LEU . 52524 1 45 44 ARG . 52524 1 46 45 SER . 52524 1 47 46 ILE . 52524 1 48 47 PRO . 52524 1 49 48 THR . 52524 1 50 49 GLU . 52524 1 51 50 LEU . 52524 1 52 51 SER . 52524 1 53 52 HIS . 52524 1 54 53 THR . 52524 1 55 54 CYS . 52524 1 56 55 SER . 52524 1 57 56 LEU . 52524 1 58 57 ILE . 52524 1 59 58 PRO . 52524 1 60 59 PRO . 52524 1 61 60 SER . 52524 1 62 61 LEU . 52524 1 63 62 PRO . 52524 1 64 63 ASN . 52524 1 65 64 PRO . 52524 1 66 65 SER . 52524 1 67 66 GLU . 52524 1 68 67 ALA . 52524 1 69 68 ALA . 52524 1 70 69 ALA . 52524 1 71 70 ASP . 52524 1 72 71 MET . 52524 1 73 72 SER . 52524 1 74 73 PHE . 52524 1 75 74 ASN . 52524 1 76 75 SER . 52524 1 77 76 GLU . 52524 1 78 77 LEU . 52524 1 79 78 ASN . 52524 1 80 79 GLN . 52524 1 81 80 ILE . 52524 1 82 81 MET . 52524 1 83 82 ALA . 52524 1 84 83 ARG . 52524 1 85 84 PRO . 52524 1 86 85 CYS . 52524 1 87 86 ASP . 52524 1 88 87 MET . 52524 1 89 88 LEU . 52524 1 90 89 PRO . 52524 1 91 90 ALA . 52524 1 92 91 ASN . 52524 1 93 92 GLY . 52524 1 94 93 GLY . 52524 1 95 94 ALA . 52524 1 96 95 VAL . 52524 1 97 96 GLY . 52524 1 98 97 HIS . 52524 1 99 98 ASN . 52524 1 100 99 PRO . 52524 1 101 100 PHE . 52524 1 102 101 LEU . 52524 1 103 102 GLU . 52524 1 104 103 PRO . 52524 1 105 104 GLY . 52524 1 106 105 PHE . 52524 1 107 106 ASN . 52524 1 108 107 CYS . 52524 1 109 108 PRO . 52524 1 110 109 GLU . 52524 1 111 110 THR . 52524 1 112 111 THR . 52524 1 113 112 ASP . 52524 1 114 113 TRP . 52524 1 115 114 ILE . 52524 1 116 115 PRO . 52524 1 117 116 SER . 52524 1 118 117 PRO . 52524 1 119 118 LEU . 52524 1 120 119 PRO . 52524 1 121 120 HIS . 52524 1 122 121 ILE . 52524 1 123 122 TYR . 52524 1 124 123 PHE . 52524 1 125 124 PRO . 52524 1 126 125 SER . 52524 1 127 126 GLY . 52524 1 128 127 SER . 52524 1 129 128 PRO . 52524 1 130 129 ASN . 52524 1 131 130 LEU . 52524 1 132 131 ILE . 52524 1 133 132 MET . 52524 1 134 133 GLU . 52524 1 135 134 ASP . 52524 1 136 135 GLY . 52524 1 137 136 VAL . 52524 1 138 137 ILE . 52524 1 139 138 ASP . 52524 1 140 139 GLU . 52524 1 141 140 ILE . 52524 1 142 141 HIS . 52524 1 143 142 LYS . 52524 1 144 143 GLN . 52524 1 145 144 SER . 52524 1 146 145 ASP . 52524 1 147 146 LEU . 52524 1 148 147 PRO . 52524 1 149 148 LEU . 52524 1 150 149 TRP . 52524 1 151 150 TYR . 52524 1 152 151 ASP . 52524 1 153 152 ASP . 52524 1 154 153 LEU . 52524 1 155 154 ILE . 52524 1 156 155 THR . 52524 1 157 156 THR . 52524 1 158 157 ASP . 52524 1 159 158 GLU . 52524 1 160 159 ASP . 52524 1 161 160 PRO . 52524 1 162 161 LEU . 52524 1 163 162 MET . 52524 1 164 163 SER . 52524 1 165 164 SER . 52524 1 166 165 ILE . 52524 1 167 166 LEU . 52524 1 168 167 GLY . 52524 1 169 168 ASP . 52524 1 170 169 LEU . 52524 1 171 170 LEU . 52524 1 172 171 LEU . 52524 1 173 172 ASP . 52524 1 174 173 THR . 52524 1 175 174 ASN . 52524 1 176 175 PHE . 52524 1 177 176 ASN . 52524 1 178 177 SER . 52524 1 179 178 ALA . 52524 1 180 179 SER . 52524 1 181 180 LYS . 52524 1 182 181 VAL . 52524 1 183 182 GLN . 52524 1 184 183 GLN . 52524 1 185 184 PRO . 52524 1 186 185 SER . 52524 1 187 186 MET . 52524 1 188 187 GLN . 52524 1 189 188 SER . 52524 1 190 189 GLN . 52524 1 191 190 ILE . 52524 1 192 191 GLN . 52524 1 193 192 GLN . 52524 1 194 193 PRO . 52524 1 195 194 GLN . 52524 1 196 195 ALA . 52524 1 197 196 VAL . 52524 1 198 197 LEU . 52524 1 199 198 GLN . 52524 1 200 199 GLN . 52524 1 201 200 PRO . 52524 1 202 201 SER . 52524 1 203 202 SER . 52524 1 204 203 CYS . 52524 1 205 204 VAL . 52524 1 206 205 GLU . 52524 1 207 206 LEU . 52524 1 208 207 ARG . 52524 1 209 208 PRO . 52524 1 210 209 LEU . 52524 1 211 210 ASP . 52524 1 212 211 ARG . 52524 1 213 212 THR . 52524 1 214 213 VAL . 52524 1 215 214 SER . 52524 1 216 215 SER . 52524 1 217 216 ASN . 52524 1 218 217 SER . 52524 1 219 218 ASN . 52524 1 220 219 ASN . 52524 1 221 220 ASN . 52524 1 222 221 SER . 52524 1 223 222 ASN . 52524 1 224 223 SER . 52524 1 225 224 ASN . 52524 1 226 225 ASN . 52524 1 227 226 ALA . 52524 1 228 227 ALA . 52524 1 229 228 ALA . 52524 1 230 229 ALA . 52524 1 231 230 ALA . 52524 1 232 231 LYS . 52524 1 233 232 GLY . 52524 1 234 233 ARG . 52524 1 235 234 MET . 52524 1 236 235 ARG . 52524 1 237 236 TRP . 52524 1 238 237 THR . 52524 1 239 238 PRO . 52524 1 240 239 GLU . 52524 1 241 240 LEU . 52524 1 242 241 HIS . 52524 1 243 242 GLU . 52524 1 244 243 VAL . 52524 1 245 244 PHE . 52524 1 246 245 VAL . 52524 1 247 246 ASP . 52524 1 248 247 ALA . 52524 1 249 248 VAL . 52524 1 250 249 ASN . 52524 1 251 250 GLN . 52524 1 252 251 LEU . 52524 1 253 252 GLY . 52524 1 254 253 GLY . 52524 1 255 254 SER . 52524 1 256 255 ASN . 52524 1 257 256 GLU . 52524 1 258 257 ALA . 52524 1 259 258 THR . 52524 1 260 259 PRO . 52524 1 261 260 LYS . 52524 1 262 261 GLY . 52524 1 263 262 VAL . 52524 1 264 263 LEU . 52524 1 265 264 LYS . 52524 1 266 265 HIS . 52524 1 267 266 MET . 52524 1 268 267 LYS . 52524 1 269 268 VAL . 52524 1 270 269 GLU . 52524 1 271 270 GLY . 52524 1 272 271 LEU . 52524 1 273 272 THR . 52524 1 274 273 ILE . 52524 1 275 274 PHE . 52524 1 276 275 HIS . 52524 1 277 276 VAL . 52524 1 278 277 LYS . 52524 1 279 278 SER . 52524 1 280 279 HIS . 52524 1 281 280 LEU . 52524 1 282 281 GLN . 52524 1 283 282 LYS . 52524 1 284 283 TYR . 52524 1 285 284 ARG . 52524 1 286 285 THR . 52524 1 287 286 ALA . 52524 1 288 287 LYS . 52524 1 289 288 TYR . 52524 1 290 289 ILE . 52524 1 291 290 PRO . 52524 1 292 291 VAL . 52524 1 293 292 PRO . 52524 1 294 293 SER . 52524 1 295 294 GLU . 52524 1 296 295 GLY . 52524 1 297 296 SER . 52524 1 298 297 PRO . 52524 1 299 298 GLU . 52524 1 300 299 ALA . 52524 1 301 300 ARG . 52524 1 302 301 LEU . 52524 1 303 302 THR . 52524 1 304 303 PRO . 52524 1 305 304 LEU . 52524 1 306 305 GLU . 52524 1 307 306 GLN . 52524 1 308 307 ILE . 52524 1 309 308 THR . 52524 1 310 309 SER . 52524 1 311 310 ASP . 52524 1 312 311 ASP . 52524 1 313 312 THR . 52524 1 314 313 LYS . 52524 1 315 314 ARG . 52524 1 316 315 GLY . 52524 1 317 316 ILE . 52524 1 318 317 ASP . 52524 1 319 318 ILE . 52524 1 320 319 THR . 52524 1 321 320 GLU . 52524 1 322 321 THR . 52524 1 323 322 LEU . 52524 1 324 323 ARG . 52524 1 325 324 ILE . 52524 1 326 325 GLN . 52524 1 327 326 MET . 52524 1 328 327 GLU . 52524 1 329 328 HIS . 52524 1 330 329 GLN . 52524 1 331 330 LYS . 52524 1 332 331 LYS . 52524 1 333 332 LEU . 52524 1 334 333 HIS . 52524 1 335 334 GLU . 52524 1 336 335 GLN . 52524 1 337 336 LEU . 52524 1 338 337 GLU . 52524 1 339 338 SER . 52524 1 340 339 LEU . 52524 1 341 340 ARG . 52524 1 342 341 THR . 52524 1 343 342 MET . 52524 1 344 343 GLN . 52524 1 345 344 LEU . 52524 1 346 345 ARG . 52524 1 347 346 ILE . 52524 1 348 347 GLU . 52524 1 349 348 GLU . 52524 1 350 349 GLN . 52524 1 351 350 GLY . 52524 1 352 351 LYS . 52524 1 353 352 ALA . 52524 1 354 353 LEU . 52524 1 355 354 LEU . 52524 1 356 355 MET . 52524 1 357 356 MET . 52524 1 358 357 ILE . 52524 1 359 358 GLU . 52524 1 360 359 LYS . 52524 1 361 360 GLN . 52524 1 362 361 ASN . 52524 1 363 362 MET . 52524 1 364 363 GLY . 52524 1 365 364 PHE . 52524 1 366 365 GLY . 52524 1 367 366 GLY . 52524 1 368 367 PRO . 52524 1 369 368 GLU . 52524 1 370 369 GLN . 52524 1 371 370 GLY . 52524 1 372 371 GLU . 52524 1 373 372 LYS . 52524 1 374 373 THR . 52524 1 375 374 SER . 52524 1 376 375 ALA . 52524 1 377 376 LYS . 52524 1 378 377 THR . 52524 1 379 378 PRO . 52524 1 380 379 GLU . 52524 1 381 380 ASN . 52524 1 382 381 GLY . 52524 1 383 382 SER . 52524 1 384 383 GLU . 52524 1 385 384 GLU . 52524 1 386 385 SER . 52524 1 387 386 GLU . 52524 1 388 387 SER . 52524 1 389 388 PRO . 52524 1 390 389 ARG . 52524 1 391 390 PRO . 52524 1 392 391 LYS . 52524 1 393 392 ARG . 52524 1 394 393 PRO . 52524 1 395 394 ARG . 52524 1 396 395 ASN . 52524 1 397 396 GLU . 52524 1 398 397 GLU . 52524 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 52524 1 . MET 2 2 52524 1 . ILE 3 3 52524 1 . PRO 4 4 52524 1 . ASN 5 5 52524 1 . ASP 6 6 52524 1 . ASP 7 7 52524 1 . ASP 8 8 52524 1 . ASP 9 9 52524 1 . ALA 10 10 52524 1 . ASN 11 11 52524 1 . SER 12 12 52524 1 . MET 13 13 52524 1 . LYS 14 14 52524 1 . ASN 15 15 52524 1 . TYR 16 16 52524 1 . PRO 17 17 52524 1 . LEU 18 18 52524 1 . ASN 19 19 52524 1 . ASP 20 20 52524 1 . ASP 21 21 52524 1 . ASP 22 22 52524 1 . ALA 23 23 52524 1 . ASN 24 24 52524 1 . SER 25 25 52524 1 . MET 26 26 52524 1 . LYS 27 27 52524 1 . ASN 28 28 52524 1 . TYR 29 29 52524 1 . PRO 30 30 52524 1 . LEU 31 31 52524 1 . ASN 32 32 52524 1 . ASP 33 33 52524 1 . ASP 34 34 52524 1 . ASP 35 35 52524 1 . ALA 36 36 52524 1 . ASN 37 37 52524 1 . SER 38 38 52524 1 . MET 39 39 52524 1 . GLU 40 40 52524 1 . ASN 41 41 52524 1 . TYR 42 42 52524 1 . PRO 43 43 52524 1 . LEU 44 44 52524 1 . ARG 45 45 52524 1 . SER 46 46 52524 1 . ILE 47 47 52524 1 . PRO 48 48 52524 1 . THR 49 49 52524 1 . GLU 50 50 52524 1 . LEU 51 51 52524 1 . SER 52 52 52524 1 . HIS 53 53 52524 1 . THR 54 54 52524 1 . CYS 55 55 52524 1 . SER 56 56 52524 1 . LEU 57 57 52524 1 . ILE 58 58 52524 1 . PRO 59 59 52524 1 . PRO 60 60 52524 1 . SER 61 61 52524 1 . LEU 62 62 52524 1 . PRO 63 63 52524 1 . ASN 64 64 52524 1 . PRO 65 65 52524 1 . SER 66 66 52524 1 . GLU 67 67 52524 1 . ALA 68 68 52524 1 . ALA 69 69 52524 1 . ALA 70 70 52524 1 . ASP 71 71 52524 1 . MET 72 72 52524 1 . SER 73 73 52524 1 . PHE 74 74 52524 1 . ASN 75 75 52524 1 . SER 76 76 52524 1 . GLU 77 77 52524 1 . LEU 78 78 52524 1 . ASN 79 79 52524 1 . GLN 80 80 52524 1 . ILE 81 81 52524 1 . MET 82 82 52524 1 . ALA 83 83 52524 1 . ARG 84 84 52524 1 . PRO 85 85 52524 1 . CYS 86 86 52524 1 . ASP 87 87 52524 1 . MET 88 88 52524 1 . LEU 89 89 52524 1 . PRO 90 90 52524 1 . ALA 91 91 52524 1 . ASN 92 92 52524 1 . GLY 93 93 52524 1 . GLY 94 94 52524 1 . ALA 95 95 52524 1 . VAL 96 96 52524 1 . GLY 97 97 52524 1 . HIS 98 98 52524 1 . ASN 99 99 52524 1 . PRO 100 100 52524 1 . PHE 101 101 52524 1 . LEU 102 102 52524 1 . GLU 103 103 52524 1 . PRO 104 104 52524 1 . GLY 105 105 52524 1 . PHE 106 106 52524 1 . ASN 107 107 52524 1 . CYS 108 108 52524 1 . PRO 109 109 52524 1 . GLU 110 110 52524 1 . THR 111 111 52524 1 . THR 112 112 52524 1 . ASP 113 113 52524 1 . TRP 114 114 52524 1 . ILE 115 115 52524 1 . PRO 116 116 52524 1 . SER 117 117 52524 1 . PRO 118 118 52524 1 . LEU 119 119 52524 1 . PRO 120 120 52524 1 . HIS 121 121 52524 1 . ILE 122 122 52524 1 . TYR 123 123 52524 1 . PHE 124 124 52524 1 . PRO 125 125 52524 1 . SER 126 126 52524 1 . GLY 127 127 52524 1 . SER 128 128 52524 1 . PRO 129 129 52524 1 . ASN 130 130 52524 1 . LEU 131 131 52524 1 . ILE 132 132 52524 1 . MET 133 133 52524 1 . GLU 134 134 52524 1 . ASP 135 135 52524 1 . GLY 136 136 52524 1 . VAL 137 137 52524 1 . ILE 138 138 52524 1 . ASP 139 139 52524 1 . GLU 140 140 52524 1 . ILE 141 141 52524 1 . HIS 142 142 52524 1 . LYS 143 143 52524 1 . GLN 144 144 52524 1 . SER 145 145 52524 1 . ASP 146 146 52524 1 . LEU 147 147 52524 1 . PRO 148 148 52524 1 . LEU 149 149 52524 1 . TRP 150 150 52524 1 . TYR 151 151 52524 1 . ASP 152 152 52524 1 . ASP 153 153 52524 1 . LEU 154 154 52524 1 . ILE 155 155 52524 1 . THR 156 156 52524 1 . THR 157 157 52524 1 . ASP 158 158 52524 1 . GLU 159 159 52524 1 . ASP 160 160 52524 1 . PRO 161 161 52524 1 . LEU 162 162 52524 1 . MET 163 163 52524 1 . SER 164 164 52524 1 . SER 165 165 52524 1 . ILE 166 166 52524 1 . LEU 167 167 52524 1 . GLY 168 168 52524 1 . ASP 169 169 52524 1 . LEU 170 170 52524 1 . LEU 171 171 52524 1 . LEU 172 172 52524 1 . ASP 173 173 52524 1 . THR 174 174 52524 1 . ASN 175 175 52524 1 . PHE 176 176 52524 1 . ASN 177 177 52524 1 . SER 178 178 52524 1 . ALA 179 179 52524 1 . SER 180 180 52524 1 . LYS 181 181 52524 1 . VAL 182 182 52524 1 . GLN 183 183 52524 1 . GLN 184 184 52524 1 . PRO 185 185 52524 1 . SER 186 186 52524 1 . MET 187 187 52524 1 . GLN 188 188 52524 1 . SER 189 189 52524 1 . GLN 190 190 52524 1 . ILE 191 191 52524 1 . GLN 192 192 52524 1 . GLN 193 193 52524 1 . PRO 194 194 52524 1 . GLN 195 195 52524 1 . ALA 196 196 52524 1 . VAL 197 197 52524 1 . LEU 198 198 52524 1 . GLN 199 199 52524 1 . GLN 200 200 52524 1 . PRO 201 201 52524 1 . SER 202 202 52524 1 . SER 203 203 52524 1 . CYS 204 204 52524 1 . VAL 205 205 52524 1 . GLU 206 206 52524 1 . LEU 207 207 52524 1 . ARG 208 208 52524 1 . PRO 209 209 52524 1 . LEU 210 210 52524 1 . ASP 211 211 52524 1 . ARG 212 212 52524 1 . THR 213 213 52524 1 . VAL 214 214 52524 1 . SER 215 215 52524 1 . SER 216 216 52524 1 . ASN 217 217 52524 1 . SER 218 218 52524 1 . ASN 219 219 52524 1 . ASN 220 220 52524 1 . ASN 221 221 52524 1 . SER 222 222 52524 1 . ASN 223 223 52524 1 . SER 224 224 52524 1 . ASN 225 225 52524 1 . ASN 226 226 52524 1 . ALA 227 227 52524 1 . ALA 228 228 52524 1 . ALA 229 229 52524 1 . ALA 230 230 52524 1 . ALA 231 231 52524 1 . LYS 232 232 52524 1 . GLY 233 233 52524 1 . ARG 234 234 52524 1 . MET 235 235 52524 1 . ARG 236 236 52524 1 . TRP 237 237 52524 1 . THR 238 238 52524 1 . PRO 239 239 52524 1 . GLU 240 240 52524 1 . LEU 241 241 52524 1 . HIS 242 242 52524 1 . GLU 243 243 52524 1 . VAL 244 244 52524 1 . PHE 245 245 52524 1 . VAL 246 246 52524 1 . ASP 247 247 52524 1 . ALA 248 248 52524 1 . VAL 249 249 52524 1 . ASN 250 250 52524 1 . GLN 251 251 52524 1 . LEU 252 252 52524 1 . GLY 253 253 52524 1 . GLY 254 254 52524 1 . SER 255 255 52524 1 . ASN 256 256 52524 1 . GLU 257 257 52524 1 . ALA 258 258 52524 1 . THR 259 259 52524 1 . PRO 260 260 52524 1 . LYS 261 261 52524 1 . GLY 262 262 52524 1 . VAL 263 263 52524 1 . LEU 264 264 52524 1 . LYS 265 265 52524 1 . HIS 266 266 52524 1 . MET 267 267 52524 1 . LYS 268 268 52524 1 . VAL 269 269 52524 1 . GLU 270 270 52524 1 . GLY 271 271 52524 1 . LEU 272 272 52524 1 . THR 273 273 52524 1 . ILE 274 274 52524 1 . PHE 275 275 52524 1 . HIS 276 276 52524 1 . VAL 277 277 52524 1 . LYS 278 278 52524 1 . SER 279 279 52524 1 . HIS 280 280 52524 1 . LEU 281 281 52524 1 . GLN 282 282 52524 1 . LYS 283 283 52524 1 . TYR 284 284 52524 1 . ARG 285 285 52524 1 . THR 286 286 52524 1 . ALA 287 287 52524 1 . LYS 288 288 52524 1 . TYR 289 289 52524 1 . ILE 290 290 52524 1 . PRO 291 291 52524 1 . VAL 292 292 52524 1 . PRO 293 293 52524 1 . SER 294 294 52524 1 . GLU 295 295 52524 1 . GLY 296 296 52524 1 . SER 297 297 52524 1 . PRO 298 298 52524 1 . GLU 299 299 52524 1 . ALA 300 300 52524 1 . ARG 301 301 52524 1 . LEU 302 302 52524 1 . THR 303 303 52524 1 . PRO 304 304 52524 1 . LEU 305 305 52524 1 . GLU 306 306 52524 1 . GLN 307 307 52524 1 . ILE 308 308 52524 1 . THR 309 309 52524 1 . SER 310 310 52524 1 . ASP 311 311 52524 1 . ASP 312 312 52524 1 . THR 313 313 52524 1 . LYS 314 314 52524 1 . ARG 315 315 52524 1 . GLY 316 316 52524 1 . ILE 317 317 52524 1 . ASP 318 318 52524 1 . ILE 319 319 52524 1 . THR 320 320 52524 1 . GLU 321 321 52524 1 . THR 322 322 52524 1 . LEU 323 323 52524 1 . ARG 324 324 52524 1 . ILE 325 325 52524 1 . GLN 326 326 52524 1 . MET 327 327 52524 1 . GLU 328 328 52524 1 . HIS 329 329 52524 1 . GLN 330 330 52524 1 . LYS 331 331 52524 1 . LYS 332 332 52524 1 . LEU 333 333 52524 1 . HIS 334 334 52524 1 . GLU 335 335 52524 1 . GLN 336 336 52524 1 . LEU 337 337 52524 1 . GLU 338 338 52524 1 . SER 339 339 52524 1 . LEU 340 340 52524 1 . ARG 341 341 52524 1 . THR 342 342 52524 1 . MET 343 343 52524 1 . GLN 344 344 52524 1 . LEU 345 345 52524 1 . ARG 346 346 52524 1 . ILE 347 347 52524 1 . GLU 348 348 52524 1 . GLU 349 349 52524 1 . GLN 350 350 52524 1 . GLY 351 351 52524 1 . LYS 352 352 52524 1 . ALA 353 353 52524 1 . LEU 354 354 52524 1 . LEU 355 355 52524 1 . MET 356 356 52524 1 . MET 357 357 52524 1 . ILE 358 358 52524 1 . GLU 359 359 52524 1 . LYS 360 360 52524 1 . GLN 361 361 52524 1 . ASN 362 362 52524 1 . MET 363 363 52524 1 . GLY 364 364 52524 1 . PHE 365 365 52524 1 . GLY 366 366 52524 1 . GLY 367 367 52524 1 . PRO 368 368 52524 1 . GLU 369 369 52524 1 . GLN 370 370 52524 1 . GLY 371 371 52524 1 . GLU 372 372 52524 1 . LYS 373 373 52524 1 . THR 374 374 52524 1 . SER 375 375 52524 1 . ALA 376 376 52524 1 . LYS 377 377 52524 1 . THR 378 378 52524 1 . PRO 379 379 52524 1 . GLU 380 380 52524 1 . ASN 381 381 52524 1 . GLY 382 382 52524 1 . SER 383 383 52524 1 . GLU 384 384 52524 1 . GLU 385 385 52524 1 . SER 386 386 52524 1 . GLU 387 387 52524 1 . SER 388 388 52524 1 . PRO 389 389 52524 1 . ARG 390 390 52524 1 . PRO 391 391 52524 1 . LYS 392 392 52524 1 . ARG 393 393 52524 1 . PRO 394 394 52524 1 . ARG 395 395 52524 1 . ASN 396 396 52524 1 . GLU 397 397 52524 1 . GLU 398 398 52524 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 52524 _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 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . 52524 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 52524 _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 BL21DE3 . . plasmid . . pET-28a(+) . . . 52524 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52524 _Sample.ID 1 _Sample.Name PHL4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM MES pH 6.2, 25 mM NaCl, 5mM TCEP, 114.9 uM protein' _Sample.Aggregate_sample_number 1 _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 PHL4 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 114.9 . . uM . . . . 52524 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 52524 1 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 52524 1 4 TCEP 'natural abundance' . . . . . . 5 . . mM . . . . 52524 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 52524 _Sample_condition_list.ID 1 _Sample_condition_list.Name '298K pH 6.2' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.2 . pH 52524 1 pressure 1 . atm 52524 1 temperature 298 . K 52524 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52524 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version 10.6 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52524 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52524 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 1.470 _Software.DOI . _Software.Details 'Sparky version 3.190' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 52524 2 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 52524 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '600 MHz Bruker Avance III' _NMR_spectrometer.Details '5 mm 1H-13C / 15N /2H Bruker CPTCI Cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 52524 _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 HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52524 1 2 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52524 1 3 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52524 1 4 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52524 1 5 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52524 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 52524 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name PHL4 _Chem_shift_reference.Details "Chemical shift referencing is indirect, based off NMRPipe's referencing based on the H2O signal and the temperature." 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 water protons . . . . ppm 4.7 na indirect 0.251449530 . . . . . 52524 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 52524 1 N 15 water protons . . . . ppm 4.7 na indirect 0.101329118 . . . . . 52524 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 52524 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name PHL4 _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 HSQC' . . . 52524 1 2 '3D HNCACB' . . . 52524 1 3 '3D HNCA' . . . 52524 1 4 '3D HNCO' . . . 52524 1 5 '3D CBCA(CO)NH' . . . 52524 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 . . 52524 1 2 $software_2 . . 52524 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 2 2 MET C C 13 175.465 . . 1 . . . . . 1 M C . 52524 1 2 . 1 . 1 2 2 MET CA C 13 55.835 . . 1 . . . . . 1 M CA . 52524 1 3 . 1 . 1 2 2 MET CB C 13 33.14 . . 1 . . . . . 1 M CB . 52524 1 4 . 1 . 1 3 3 ILE H H 1 8.307 . . 1 . . . . . 2 I HN . 52524 1 5 . 1 . 1 3 3 ILE CA C 13 58.441 . . 1 . . . . . 2 I CA . 52524 1 6 . 1 . 1 3 3 ILE CB C 13 38.774 . . 1 . . . . . 2 I CB . 52524 1 7 . 1 . 1 3 3 ILE N N 15 123.537 . . 1 . . . . . 2 I N . 52524 1 8 . 1 . 1 4 4 PRO C C 13 174.929 . . 1 . . . . . 3 P C . 52524 1 9 . 1 . 1 4 4 PRO CA C 13 63.282 . . 1 . . . . . 3 P CA . 52524 1 10 . 1 . 1 4 4 PRO CB C 13 32.199 . . 1 . . . . . 3 P CB . 52524 1 11 . 1 . 1 5 5 ASN H H 1 8.541 . . 1 . . . . . 4 N HN . 52524 1 12 . 1 . 1 5 5 ASN C C 13 176.401 . . 1 . . . . . 4 N C . 52524 1 13 . 1 . 1 5 5 ASN CA C 13 53.241 . . 1 . . . . . 4 N CA . 52524 1 14 . 1 . 1 5 5 ASN CB C 13 39.125 . . 1 . . . . . 4 N CB . 52524 1 15 . 1 . 1 5 5 ASN N N 15 119.125 . . 1 . . . . . 4 N N . 52524 1 16 . 1 . 1 6 6 ASP H H 1 8.349 . . 1 . . . . . 5 D HN . 52524 1 17 . 1 . 1 6 6 ASP CA C 13 54.649 . . 1 . . . . . 5 D CA . 52524 1 18 . 1 . 1 6 6 ASP CB C 13 41.165 . . 1 . . . . . 5 D CB . 52524 1 19 . 1 . 1 6 6 ASP N N 15 121.04 . . 1 . . . . . 5 D N . 52524 1 20 . 1 . 1 18 18 LEU C C 13 174.298 . . 1 . . . . . 17 L C . 52524 1 21 . 1 . 1 18 18 LEU CA C 13 55.174 . . 1 . . . . . 17 L CA . 52524 1 22 . 1 . 1 18 18 LEU CB C 13 42.405 . . 1 . . . . . 17 L CB . 52524 1 23 . 1 . 1 19 19 ASN H H 1 8.424 . . 1 . . . . . 18 N HN . 52524 1 24 . 1 . 1 19 19 ASN C C 13 176.524 . . 1 . . . . . 18 N C . 52524 1 25 . 1 . 1 19 19 ASN CA C 13 53.066 . . 1 . . . . . 18 N CA . 52524 1 26 . 1 . 1 19 19 ASN CB C 13 39.272 . . 1 . . . . . 18 N CB . 52524 1 27 . 1 . 1 19 19 ASN N N 15 119.276 . . 1 . . . . . 18 N N . 52524 1 28 . 1 . 1 20 20 ASP H H 1 8.386 . . 1 . . . . . 19 D HN . 52524 1 29 . 1 . 1 20 20 ASP CA C 13 54.567 . . 1 . . . . . 19 D CA . 52524 1 30 . 1 . 1 20 20 ASP CB C 13 41.139 . . 1 . . . . . 19 D CB . 52524 1 31 . 1 . 1 20 20 ASP N N 15 121.195 . . 1 . . . . . 19 D N . 52524 1 32 . 1 . 1 31 31 LEU C C 13 174.298 . . 1 . . . . . 30 L C . 52524 1 33 . 1 . 1 31 31 LEU CA C 13 55.174 . . 1 . . . . . 30 L CA . 52524 1 34 . 1 . 1 31 31 LEU CB C 13 42.405 . . 1 . . . . . 30 L CB . 52524 1 35 . 1 . 1 32 32 ASN H H 1 8.424 . . 1 . . . . . 31 N HN . 52524 1 36 . 1 . 1 32 32 ASN C C 13 176.524 . . 1 . . . . . 31 N C . 52524 1 37 . 1 . 1 32 32 ASN CA C 13 53.066 . . 1 . . . . . 31 N CA . 52524 1 38 . 1 . 1 32 32 ASN CB C 13 39.272 . . 1 . . . . . 31 N CB . 52524 1 39 . 1 . 1 32 32 ASN N N 15 119.276 . . 1 . . . . . 31 N N . 52524 1 40 . 1 . 1 33 33 ASP H H 1 8.386 . . 1 . . . . . 32 D HN . 52524 1 41 . 1 . 1 33 33 ASP CA C 13 54.567 . . 1 . . . . . 32 D CA . 52524 1 42 . 1 . 1 33 33 ASP CB C 13 41.139 . . 1 . . . . . 32 D CB . 52524 1 43 . 1 . 1 33 33 ASP N N 15 121.195 . . 1 . . . . . 32 D N . 52524 1 44 . 1 . 1 40 40 GLU C C 13 175.324 . . 1 . . . . . 39 E C . 52524 1 45 . 1 . 1 40 40 GLU CA C 13 56.888 . . 1 . . . . . 39 E CA . 52524 1 46 . 1 . 1 40 40 GLU CB C 13 30.161 . . 1 . . . . . 39 E CB . 52524 1 47 . 1 . 1 41 41 ASN H H 1 8.316 . . 1 . . . . . 40 N HN . 52524 1 48 . 1 . 1 41 41 ASN C C 13 177.174 . . 1 . . . . . 40 N C . 52524 1 49 . 1 . 1 41 41 ASN CA C 13 52.889 . . 1 . . . . . 40 N CA . 52524 1 50 . 1 . 1 41 41 ASN CB C 13 39.109 . . 1 . . . . . 40 N CB . 52524 1 51 . 1 . 1 41 41 ASN N N 15 118.523 . . 1 . . . . . 40 N N . 52524 1 52 . 1 . 1 42 42 TYR H H 1 8.025 . . 1 . . . . . 41 Y HN . 52524 1 53 . 1 . 1 42 42 TYR CA C 13 56.063 . . 1 . . . . . 41 Y CA . 52524 1 54 . 1 . 1 42 42 TYR CB C 13 38.346 . . 1 . . . . . 41 Y CB . 52524 1 55 . 1 . 1 42 42 TYR N N 15 121.724 . . 1 . . . . . 41 Y N . 52524 1 56 . 1 . 1 44 44 LEU C C 13 173.968 . . 1 . . . . . 43 L C . 52524 1 57 . 1 . 1 44 44 LEU CA C 13 55.316 . . 1 . . . . . 43 L CA . 52524 1 58 . 1 . 1 44 44 LEU CB C 13 42.03 . . 1 . . . . . 43 L CB . 52524 1 59 . 1 . 1 45 45 ARG H H 1 8.201 . . 1 . . . . . 44 R HN . 52524 1 60 . 1 . 1 45 45 ARG C C 13 175.352 . . 1 . . . . . 44 R C . 52524 1 61 . 1 . 1 45 45 ARG CA C 13 56.085 . . 1 . . . . . 44 R CA . 52524 1 62 . 1 . 1 45 45 ARG CB C 13 30.961 . . 1 . . . . . 44 R CB . 52524 1 63 . 1 . 1 45 45 ARG N N 15 121.34 . . 1 . . . . . 44 R N . 52524 1 64 . 1 . 1 46 46 SER H H 1 8.253 . . 1 . . . . . 45 S HN . 52524 1 65 . 1 . 1 46 46 SER C C 13 177.524 . . 1 . . . . . 45 S C . 52524 1 66 . 1 . 1 46 46 SER CA C 13 57.945 . . 1 . . . . . 45 S CA . 52524 1 67 . 1 . 1 46 46 SER CB C 13 63.71 . . 1 . . . . . 45 S CB . 52524 1 68 . 1 . 1 46 46 SER N N 15 117.01 . . 1 . . . . . 45 S N . 52524 1 69 . 1 . 1 47 47 ILE H H 1 8.174 . . 1 . . . . . 46 I HN . 52524 1 70 . 1 . 1 47 47 ILE CA C 13 58.688 . . 1 . . . . . 46 I CA . 52524 1 71 . 1 . 1 47 47 ILE CB C 13 38.811 . . 1 . . . . . 46 I CB . 52524 1 72 . 1 . 1 47 47 ILE N N 15 124.233 . . 1 . . . . . 46 I N . 52524 1 73 . 1 . 1 48 48 PRO C C 13 174.25 . . 1 . . . . . 47 P C . 52524 1 74 . 1 . 1 48 48 PRO CA C 13 63.321 . . 1 . . . . . 47 P CA . 52524 1 75 . 1 . 1 48 48 PRO CB C 13 32.232 . . 1 . . . . . 47 P CB . 52524 1 76 . 1 . 1 49 49 THR H H 1 8.209 . . 1 . . . . . 48 T HN . 52524 1 77 . 1 . 1 49 49 THR C C 13 176.521 . . 1 . . . . . 48 T C . 52524 1 78 . 1 . 1 49 49 THR CA C 13 62.411 . . 1 . . . . . 48 T CA . 52524 1 79 . 1 . 1 49 49 THR CB C 13 69.691 . . 1 . . . . . 48 T CB . 52524 1 80 . 1 . 1 49 49 THR N N 15 114.886 . . 1 . . . . . 48 T N . 52524 1 81 . 1 . 1 50 50 GLU H H 1 8.524 . . 1 . . . . . 49 E HN . 52524 1 82 . 1 . 1 50 50 GLU C C 13 174.944 . . 1 . . . . . 49 E C . 52524 1 83 . 1 . 1 50 50 GLU CA C 13 56.7 . . 1 . . . . . 49 E CA . 52524 1 84 . 1 . 1 50 50 GLU CB C 13 30.156 . . 1 . . . . . 49 E CB . 52524 1 85 . 1 . 1 50 50 GLU N N 15 123.107 . . 1 . . . . . 49 E N . 52524 1 86 . 1 . 1 51 51 LEU H H 1 8.228 . . 1 . . . . . 50 L HN . 52524 1 87 . 1 . 1 51 51 LEU C C 13 173.944 . . 1 . . . . . 50 L C . 52524 1 88 . 1 . 1 51 51 LEU CA C 13 55.304 . . 1 . . . . . 50 L CA . 52524 1 89 . 1 . 1 51 51 LEU CB C 13 42.268 . . 1 . . . . . 50 L CB . 52524 1 90 . 1 . 1 51 51 LEU N N 15 122.998 . . 1 . . . . . 50 L N . 52524 1 91 . 1 . 1 52 52 SER H H 1 8.186 . . 1 . . . . . 51 S HN . 52524 1 92 . 1 . 1 52 52 SER C C 13 176.897 . . 1 . . . . . 51 S C . 52524 1 93 . 1 . 1 52 52 SER CA C 13 58.683 . . 1 . . . . . 51 S CA . 52524 1 94 . 1 . 1 52 52 SER CB C 13 63.785 . . 1 . . . . . 51 S CB . 52524 1 95 . 1 . 1 52 52 SER N N 15 115.803 . . 1 . . . . . 51 S N . 52524 1 96 . 1 . 1 53 53 HIS H H 1 8.363 . . 1 . . . . . 52 H HN . 52524 1 97 . 1 . 1 53 53 HIS C C 13 176.549 . . 1 . . . . . 52 H C . 52524 1 98 . 1 . 1 53 53 HIS CA C 13 55.732 . . 1 . . . . . 52 H CA . 52524 1 99 . 1 . 1 53 53 HIS CB C 13 29.53 . . 1 . . . . . 52 H CB . 52524 1 100 . 1 . 1 53 53 HIS N N 15 121.999 . . 1 . . . . . 52 H N . 52524 1 101 . 1 . 1 54 54 THR H H 1 8.184 . . 1 . . . . . 53 T HN . 52524 1 102 . 1 . 1 54 54 THR C C 13 174.701 . . 1 . . . . . 53 T C . 52524 1 103 . 1 . 1 54 54 THR CA C 13 62.046 . . 1 . . . . . 53 T CA . 52524 1 104 . 1 . 1 54 54 THR CB C 13 69.803 . . 1 . . . . . 53 T CB . 52524 1 105 . 1 . 1 54 54 THR N N 15 115.206 . . 1 . . . . . 53 T N . 52524 1 106 . 1 . 1 55 55 CYS H H 1 8.425 . . 1 . . . . . 54 C HN . 52524 1 107 . 1 . 1 55 55 CYS C C 13 177.017 . . 1 . . . . . 54 C C . 52524 1 108 . 1 . 1 55 55 CYS CA C 13 58.41 . . 1 . . . . . 54 C CA . 52524 1 109 . 1 . 1 55 55 CYS CB C 13 28.118 . . 1 . . . . . 54 C CB . 52524 1 110 . 1 . 1 55 55 CYS N N 15 121.676 . . 1 . . . . . 54 C N . 52524 1 111 . 1 . 1 56 56 SER H H 1 8.423 . . 1 . . . . . 55 S HN . 52524 1 112 . 1 . 1 56 56 SER C C 13 177.298 . . 1 . . . . . 55 S C . 52524 1 113 . 1 . 1 56 56 SER CA C 13 58.322 . . 1 . . . . . 55 S CA . 52524 1 114 . 1 . 1 56 56 SER CB C 13 63.773 . . 1 . . . . . 55 S CB . 52524 1 115 . 1 . 1 56 56 SER N N 15 118.595 . . 1 . . . . . 55 S N . 52524 1 116 . 1 . 1 57 57 LEU H H 1 8.263 . . 1 . . . . . 56 L HN . 52524 1 117 . 1 . 1 57 57 LEU C C 13 174.598 . . 1 . . . . . 56 L C . 52524 1 118 . 1 . 1 57 57 LEU CA C 13 55.153 . . 1 . . . . . 56 L CA . 52524 1 119 . 1 . 1 57 57 LEU CB C 13 42.249 . . 1 . . . . . 56 L CB . 52524 1 120 . 1 . 1 57 57 LEU N N 15 124.476 . . 1 . . . . . 56 L N . 52524 1 121 . 1 . 1 58 58 ILE H H 1 8.137 . . 1 . . . . . 57 I HN . 52524 1 122 . 1 . 1 58 58 ILE CA C 13 58.357 . . 1 . . . . . 57 I CA . 52524 1 123 . 1 . 1 58 58 ILE CB C 13 38.661 . . 1 . . . . . 57 I CB . 52524 1 124 . 1 . 1 58 58 ILE N N 15 123.975 . . 1 . . . . . 57 I N . 52524 1 125 . 1 . 1 60 60 PRO C C 13 174.631 . . 1 . . . . . 59 P C . 52524 1 126 . 1 . 1 60 60 PRO CA C 13 62.832 . . 1 . . . . . 59 P CA . 52524 1 127 . 1 . 1 60 60 PRO CB C 13 32.117 . . 1 . . . . . 59 P CB . 52524 1 128 . 1 . 1 61 61 SER H H 1 8.308 . . 1 . . . . . 60 S HN . 52524 1 129 . 1 . 1 61 61 SER C C 13 177.39 . . 1 . . . . . 60 S C . 52524 1 130 . 1 . 1 61 61 SER CA C 13 57.912 . . 1 . . . . . 60 S CA . 52524 1 131 . 1 . 1 61 61 SER CB C 13 63.819 . . 1 . . . . . 60 S CB . 52524 1 132 . 1 . 1 61 61 SER N N 15 116.059 . . 1 . . . . . 60 S N . 52524 1 133 . 1 . 1 62 62 LEU H H 1 8.285 . . 1 . . . . . 61 L HN . 52524 1 134 . 1 . 1 62 62 LEU CA C 13 52.864 . . 1 . . . . . 61 L CA . 52524 1 135 . 1 . 1 62 62 LEU CB C 13 41.935 . . 1 . . . . . 61 L CB . 52524 1 136 . 1 . 1 62 62 LEU N N 15 125.427 . . 1 . . . . . 61 L N . 52524 1 137 . 1 . 1 63 63 PRO C C 13 175.072 . . 1 . . . . . 62 P C . 52524 1 138 . 1 . 1 63 63 PRO CA C 13 63.153 . . 1 . . . . . 62 P CA . 52524 1 139 . 1 . 1 63 63 PRO CB C 13 32.106 . . 1 . . . . . 62 P CB . 52524 1 140 . 1 . 1 64 64 ASN H H 1 8.533 . . 1 . . . . . 63 N HN . 52524 1 141 . 1 . 1 64 64 ASN CA C 13 51.188 . . 1 . . . . . 63 N CA . 52524 1 142 . 1 . 1 64 64 ASN CB C 13 38.71 . . 1 . . . . . 63 N CB . 52524 1 143 . 1 . 1 64 64 ASN N N 15 120.024 . . 1 . . . . . 63 N N . 52524 1 144 . 1 . 1 65 65 PRO C C 13 174.129 . . 1 . . . . . 64 P C . 52524 1 145 . 1 . 1 65 65 PRO CA C 13 63.762 . . 1 . . . . . 64 P CA . 52524 1 146 . 1 . 1 65 65 PRO CB C 13 32.18 . . 1 . . . . . 64 P CB . 52524 1 147 . 1 . 1 66 66 SER H H 1 8.307 . . 1 . . . . . 65 S HN . 52524 1 148 . 1 . 1 66 66 SER C C 13 176.626 . . 1 . . . . . 65 S C . 52524 1 149 . 1 . 1 66 66 SER CA C 13 58.934 . . 1 . . . . . 65 S CA . 52524 1 150 . 1 . 1 66 66 SER CB C 13 63.553 . . 1 . . . . . 65 S CB . 52524 1 151 . 1 . 1 66 66 SER N N 15 115.099 . . 1 . . . . . 65 S N . 52524 1 152 . 1 . 1 67 67 GLU H H 1 8.194 . . 1 . . . . . 66 E HN . 52524 1 153 . 1 . 1 67 67 GLU C C 13 175.164 . . 1 . . . . . 66 E C . 52524 1 154 . 1 . 1 67 67 GLU CA C 13 56.599 . . 1 . . . . . 66 E CA . 52524 1 155 . 1 . 1 67 67 GLU CB C 13 30.326 . . 1 . . . . . 66 E CB . 52524 1 156 . 1 . 1 67 67 GLU N N 15 122.507 . . 1 . . . . . 66 E N . 52524 1 157 . 1 . 1 68 68 ALA H H 1 8.168 . . 1 . . . . . 67 A HN . 52524 1 158 . 1 . 1 68 68 ALA C C 13 173.72 . . 1 . . . . . 67 A C . 52524 1 159 . 1 . 1 68 68 ALA CA C 13 52.402 . . 1 . . . . . 67 A CA . 52524 1 160 . 1 . 1 68 68 ALA CB C 13 19.231 . . 1 . . . . . 67 A CB . 52524 1 161 . 1 . 1 68 68 ALA N N 15 124.742 . . 1 . . . . . 67 A N . 52524 1 162 . 1 . 1 69 69 ALA H H 1 8.202 . . 1 . . . . . 68 A HN . 52524 1 163 . 1 . 1 69 69 ALA C C 13 173.879 . . 1 . . . . . 68 A C . 52524 1 164 . 1 . 1 69 69 ALA CA C 13 52.531 . . 1 . . . . . 68 A CA . 52524 1 165 . 1 . 1 69 69 ALA CB C 13 19.222 . . 1 . . . . . 68 A CB . 52524 1 166 . 1 . 1 69 69 ALA N N 15 123.163 . . 1 . . . . . 68 A N . 52524 1 167 . 1 . 1 70 70 ALA H H 1 8.174 . . 1 . . . . . 69 A HN . 52524 1 168 . 1 . 1 70 70 ALA C C 13 173.879 . . 1 . . . . . 69 A C . 52524 1 169 . 1 . 1 70 70 ALA CA C 13 52.625 . . 1 . . . . . 69 A CA . 52524 1 170 . 1 . 1 70 70 ALA CB C 13 19.314 . . 1 . . . . . 69 A CB . 52524 1 171 . 1 . 1 70 70 ALA N N 15 123.25 . . 1 . . . . . 69 A N . 52524 1 172 . 1 . 1 71 71 ASP H H 1 8.223 . . 1 . . . . . 70 D HN . 52524 1 173 . 1 . 1 71 71 ASP C C 13 174.87 . . 1 . . . . . 70 D C . 52524 1 174 . 1 . 1 71 71 ASP CA C 13 54.467 . . 1 . . . . . 70 D CA . 52524 1 175 . 1 . 1 71 71 ASP CB C 13 41.139 . . 1 . . . . . 70 D CB . 52524 1 176 . 1 . 1 71 71 ASP N N 15 119.083 . . 1 . . . . . 70 D N . 52524 1 177 . 1 . 1 72 72 MET H H 1 8.29 . . 1 . . . . . 71 M HN . 52524 1 178 . 1 . 1 72 72 MET CA C 13 55.691 . . 1 . . . . . 71 M CA . 52524 1 179 . 1 . 1 72 72 MET CB C 13 32.574 . . 1 . . . . . 71 M CB . 52524 1 180 . 1 . 1 72 72 MET N N 15 121.381 . . 1 . . . . . 71 M N . 52524 1 181 . 1 . 1 73 73 SER C C 13 177.033 . . 1 . . . . . 72 S C . 52524 1 182 . 1 . 1 73 73 SER CA C 13 58.893 . . 1 . . . . . 72 S CA . 52524 1 183 . 1 . 1 73 73 SER CB C 13 63.639 . . 1 . . . . . 72 S CB . 52524 1 184 . 1 . 1 74 74 PHE H H 1 8.14 . . 1 . . . . . 73 F HN . 52524 1 185 . 1 . 1 74 74 PHE C C 13 176.065 . . 1 . . . . . 73 F C . 52524 1 186 . 1 . 1 74 74 PHE CA C 13 57.964 . . 1 . . . . . 73 F CA . 52524 1 187 . 1 . 1 74 74 PHE CB C 13 39.482 . . 1 . . . . . 73 F CB . 52524 1 188 . 1 . 1 74 74 PHE N N 15 121.818 . . 1 . . . . . 73 F N . 52524 1 189 . 1 . 1 75 75 ASN H H 1 8.232 . . 1 . . . . . 74 N HN . 52524 1 190 . 1 . 1 75 75 ASN CA C 13 53.073 . . 1 . . . . . 74 N CA . 52524 1 191 . 1 . 1 75 75 ASN CB C 13 39.148 . . 1 . . . . . 74 N CB . 52524 1 192 . 1 . 1 75 75 ASN N N 15 120.863 . . 1 . . . . . 74 N N . 52524 1 193 . 1 . 1 76 76 SER C C 13 176.396 . . 1 . . . . . 75 S C . 52524 1 194 . 1 . 1 76 76 SER CA C 13 59.092 . . 1 . . . . . 75 S CA . 52524 1 195 . 1 . 1 76 76 SER CB C 13 63.619 . . 1 . . . . . 75 S CB . 52524 1 196 . 1 . 1 77 77 GLU H H 1 8.439 . . 1 . . . . . 76 E HN . 52524 1 197 . 1 . 1 77 77 GLU C C 13 174.408 . . 1 . . . . . 76 E C . 52524 1 198 . 1 . 1 77 77 GLU CA C 13 57.31 . . 1 . . . . . 76 E CA . 52524 1 199 . 1 . 1 77 77 GLU CB C 13 29.768 . . 1 . . . . . 76 E CB . 52524 1 200 . 1 . 1 77 77 GLU N N 15 122.298 . . 1 . . . . . 76 E N . 52524 1 201 . 1 . 1 78 78 LEU H H 1 7.977 . . 1 . . . . . 77 L HN . 52524 1 202 . 1 . 1 78 78 LEU C C 13 174.062 . . 1 . . . . . 77 L C . 52524 1 203 . 1 . 1 78 78 LEU CA C 13 55.701 . . 1 . . . . . 77 L CA . 52524 1 204 . 1 . 1 78 78 LEU CB C 13 42.201 . . 1 . . . . . 77 L CB . 52524 1 205 . 1 . 1 78 78 LEU N N 15 121.062 . . 1 . . . . . 77 L N . 52524 1 206 . 1 . 1 79 79 ASN H H 1 8.211 . . 1 . . . . . 78 N HN . 52524 1 207 . 1 . 1 79 79 ASN C C 13 176.184 . . 1 . . . . . 78 N C . 52524 1 208 . 1 . 1 79 79 ASN CA C 13 53.646 . . 1 . . . . . 78 N CA . 52524 1 209 . 1 . 1 79 79 ASN CB C 13 38.675 . . 1 . . . . . 78 N CB . 52524 1 210 . 1 . 1 79 79 ASN N N 15 118.277 . . 1 . . . . . 78 N N . 52524 1 211 . 1 . 1 80 80 GLN H H 1 8.127 . . 1 . . . . . 79 Q HN . 52524 1 212 . 1 . 1 80 80 GLN C C 13 175.448 . . 1 . . . . . 79 Q C . 52524 1 213 . 1 . 1 80 80 GLN CA C 13 55.898 . . 1 . . . . . 79 Q CA . 52524 1 214 . 1 . 1 80 80 GLN CB C 13 29.53 . . 1 . . . . . 79 Q CB . 52524 1 215 . 1 . 1 80 80 GLN N N 15 119.761 . . 1 . . . . . 79 Q N . 52524 1 216 . 1 . 1 81 81 ILE H H 1 8.09 . . 1 . . . . . 80 I HN . 52524 1 217 . 1 . 1 81 81 ILE C C 13 175.403 . . 1 . . . . . 80 I C . 52524 1 218 . 1 . 1 81 81 ILE CA C 13 60.974 . . 1 . . . . . 80 I CA . 52524 1 219 . 1 . 1 81 81 ILE CB C 13 38.575 . . 1 . . . . . 80 I CB . 52524 1 220 . 1 . 1 81 81 ILE N N 15 121.617 . . 1 . . . . . 80 I N . 52524 1 221 . 1 . 1 82 82 MET H H 1 8.413 . . 1 . . . . . 81 M HN . 52524 1 222 . 1 . 1 82 82 MET C C 13 175.842 . . 1 . . . . . 81 M C . 52524 1 223 . 1 . 1 82 82 MET CA C 13 55.156 . . 1 . . . . . 81 M CA . 52524 1 224 . 1 . 1 82 82 MET CB C 13 32.902 . . 1 . . . . . 81 M CB . 52524 1 225 . 1 . 1 82 82 MET N N 15 124.919 . . 1 . . . . . 81 M N . 52524 1 226 . 1 . 1 83 83 ALA H H 1 8.183 . . 1 . . . . . 82 A HN . 52524 1 227 . 1 . 1 83 83 ALA C C 13 174.231 . . 1 . . . . . 82 A C . 52524 1 228 . 1 . 1 83 83 ALA CA C 13 52.38 . . 1 . . . . . 82 A CA . 52524 1 229 . 1 . 1 83 83 ALA CB C 13 19.361 . . 1 . . . . . 82 A CB . 52524 1 230 . 1 . 1 83 83 ALA N N 15 125.269 . . 1 . . . . . 82 A N . 52524 1 231 . 1 . 1 84 84 ARG H H 1 8.352 . . 1 . . . . . 83 R HN . 52524 1 232 . 1 . 1 84 84 ARG CA C 13 53.966 . . 1 . . . . . 83 R CA . 52524 1 233 . 1 . 1 84 84 ARG CB C 13 30.275 . . 1 . . . . . 83 R CB . 52524 1 234 . 1 . 1 84 84 ARG N N 15 121.552 . . 1 . . . . . 83 R N . 52524 1 235 . 1 . 1 85 85 PRO C C 13 174.157 . . 1 . . . . . 84 P C . 52524 1 236 . 1 . 1 85 85 PRO CA C 13 63.746 . . 1 . . . . . 84 P CA . 52524 1 237 . 1 . 1 85 85 PRO CB C 13 31.992 . . 1 . . . . . 84 P CB . 52524 1 238 . 1 . 1 86 86 CYS H H 1 8.374 . . 1 . . . . . 85 C HN . 52524 1 239 . 1 . 1 86 86 CYS C C 13 177.049 . . 1 . . . . . 85 C C . 52524 1 240 . 1 . 1 86 86 CYS CA C 13 58.473 . . 1 . . . . . 85 C CA . 52524 1 241 . 1 . 1 86 86 CYS CB C 13 27.962 . . 1 . . . . . 85 C CB . 52524 1 242 . 1 . 1 86 86 CYS N N 15 117.834 . . 1 . . . . . 85 C N . 52524 1 243 . 1 . 1 87 87 ASP H H 1 8.291 . . 1 . . . . . 86 D HN . 52524 1 244 . 1 . 1 87 87 ASP C C 13 175.512 . . 1 . . . . . 86 D C . 52524 1 245 . 1 . 1 87 87 ASP CA C 13 54.584 . . 1 . . . . . 86 D CA . 52524 1 246 . 1 . 1 87 87 ASP CB C 13 41.062 . . 1 . . . . . 86 D CB . 52524 1 247 . 1 . 1 87 87 ASP N N 15 122.545 . . 1 . . . . . 86 D N . 52524 1 248 . 1 . 1 88 88 MET H H 1 8.049 . . 1 . . . . . 87 M HN . 52524 1 249 . 1 . 1 88 88 MET C C 13 175.699 . . 1 . . . . . 87 M C . 52524 1 250 . 1 . 1 88 88 MET CA C 13 55.201 . . 1 . . . . . 87 M CA . 52524 1 251 . 1 . 1 88 88 MET CB C 13 32.931 . . 1 . . . . . 87 M CB . 52524 1 252 . 1 . 1 88 88 MET N N 15 119.766 . . 1 . . . . . 87 M N . 52524 1 253 . 1 . 1 89 89 LEU H H 1 8.197 . . 1 . . . . . 88 L HN . 52524 1 254 . 1 . 1 89 89 LEU CA C 13 53.307 . . 1 . . . . . 88 L CA . 52524 1 255 . 1 . 1 89 89 LEU CB C 13 41.742 . . 1 . . . . . 88 L CB . 52524 1 256 . 1 . 1 89 89 LEU N N 15 124.61 . . 1 . . . . . 88 L N . 52524 1 257 . 1 . 1 90 90 PRO C C 13 174.498 . . 1 . . . . . 89 P C . 52524 1 258 . 1 . 1 90 90 PRO CA C 13 62.785 . . 1 . . . . . 89 P CA . 52524 1 259 . 1 . 1 90 90 PRO CB C 13 32.126 . . 1 . . . . . 89 P CB . 52524 1 260 . 1 . 1 91 91 ALA H H 1 8.439 . . 1 . . . . . 90 A HN . 52524 1 261 . 1 . 1 91 91 ALA C C 13 173.581 . . 1 . . . . . 90 A C . 52524 1 262 . 1 . 1 91 91 ALA CA C 13 52.7 . . 1 . . . . . 90 A CA . 52524 1 263 . 1 . 1 91 91 ALA CB C 13 19.042 . . 1 . . . . . 90 A CB . 52524 1 264 . 1 . 1 91 91 ALA N N 15 124.364 . . 1 . . . . . 90 A N . 52524 1 265 . 1 . 1 92 92 ASN H H 1 8.411 . . 1 . . . . . 91 N HN . 52524 1 266 . 1 . 1 92 92 ASN C C 13 175.576 . . 1 . . . . . 91 N C . 52524 1 267 . 1 . 1 92 92 ASN CA C 13 53.123 . . 1 . . . . . 91 N CA . 52524 1 268 . 1 . 1 92 92 ASN CB C 13 38.866 . . 1 . . . . . 91 N CB . 52524 1 269 . 1 . 1 92 92 ASN N N 15 117.305 . . 1 . . . . . 91 N N . 52524 1 270 . 1 . 1 93 93 GLY H H 1 8.355 . . 1 . . . . . 92 G HN . 52524 1 271 . 1 . 1 93 93 GLY C C 13 176.727 . . 1 . . . . . 92 G C . 52524 1 272 . 1 . 1 93 93 GLY CA C 13 45.707 . . 1 . . . . . 92 G CA . 52524 1 273 . 1 . 1 93 93 GLY N N 15 109.025 . . 1 . . . . . 92 G N . 52524 1 274 . 1 . 1 94 94 GLY H H 1 8.221 . . 1 . . . . . 93 G HN . 52524 1 275 . 1 . 1 94 94 GLY C C 13 177.679 . . 1 . . . . . 93 G C . 52524 1 276 . 1 . 1 94 94 GLY CA C 13 45.115 . . 1 . . . . . 93 G CA . 52524 1 277 . 1 . 1 94 94 GLY N N 15 108.378 . . 1 . . . . . 93 G N . 52524 1 278 . 1 . 1 95 95 ALA H H 1 8.136 . . 1 . . . . . 94 A HN . 52524 1 279 . 1 . 1 95 95 ALA C C 13 173.567 . . 1 . . . . . 94 A C . 52524 1 280 . 1 . 1 95 95 ALA CA C 13 52.32 . . 1 . . . . . 94 A CA . 52524 1 281 . 1 . 1 95 95 ALA CB C 13 19.546 . . 1 . . . . . 94 A CB . 52524 1 282 . 1 . 1 95 95 ALA N N 15 123.724 . . 1 . . . . . 94 A N . 52524 1 283 . 1 . 1 96 96 VAL H H 1 8.068 . . 1 . . . . . 95 V HN . 52524 1 284 . 1 . 1 96 96 VAL C C 13 174.679 . . 1 . . . . . 95 V C . 52524 1 285 . 1 . 1 96 96 VAL CA C 13 62.355 . . 1 . . . . . 95 V CA . 52524 1 286 . 1 . 1 96 96 VAL CB C 13 32.566 . . 1 . . . . . 95 V CB . 52524 1 287 . 1 . 1 96 96 VAL N N 15 119.02 . . 1 . . . . . 95 V N . 52524 1 288 . 1 . 1 97 97 GLY H H 1 8.426 . . 1 . . . . . 96 G HN . 52524 1 289 . 1 . 1 97 97 GLY C C 13 177.774 . . 1 . . . . . 96 G C . 52524 1 290 . 1 . 1 97 97 GLY CA C 13 45.094 . . 1 . . . . . 96 G CA . 52524 1 291 . 1 . 1 97 97 GLY N N 15 112.139 . . 1 . . . . . 96 G N . 52524 1 292 . 1 . 1 98 98 HIS H H 1 8.243 . . 1 . . . . . 97 H HN . 52524 1 293 . 1 . 1 98 98 HIS C C 13 177.437 . . 1 . . . . . 97 H C . 52524 1 294 . 1 . 1 98 98 HIS CA C 13 55.322 . . 1 . . . . . 97 H CA . 52524 1 295 . 1 . 1 98 98 HIS CB C 13 29.909 . . 1 . . . . . 97 H CB . 52524 1 296 . 1 . 1 98 98 HIS N N 15 118.33 . . 1 . . . . . 97 H N . 52524 1 297 . 1 . 1 99 99 ASN H H 1 8.507 . . 1 . . . . . 98 N HN . 52524 1 298 . 1 . 1 99 99 ASN CB C 13 39.138 . . 1 . . . . . 98 N CB . 52524 1 299 . 1 . 1 99 99 ASN N N 15 121.924 . . 1 . . . . . 98 N N . 52524 1 300 . 1 . 1 100 100 PRO C C 13 174.866 . . 1 . . . . . 99 P C . 52524 1 301 . 1 . 1 100 100 PRO CA C 13 63.645 . . 1 . . . . . 99 P CA . 52524 1 302 . 1 . 1 100 100 PRO CB C 13 32.106 . . 1 . . . . . 99 P CB . 52524 1 303 . 1 . 1 101 101 PHE H H 1 8.002 . . 1 . . . . . 100 F HN . 52524 1 304 . 1 . 1 101 101 PHE C C 13 175.889 . . 1 . . . . . 100 F C . 52524 1 305 . 1 . 1 101 101 PHE CA C 13 57.699 . . 1 . . . . . 100 F CA . 52524 1 306 . 1 . 1 101 101 PHE CB C 13 38.795 . . 1 . . . . . 100 F CB . 52524 1 307 . 1 . 1 101 101 PHE N N 15 118.283 . . 1 . . . . . 100 F N . 52524 1 308 . 1 . 1 102 102 LEU H H 1 7.68 . . 1 . . . . . 101 L HN . 52524 1 309 . 1 . 1 102 102 LEU C C 13 174.887 . . 1 . . . . . 101 L C . 52524 1 310 . 1 . 1 102 102 LEU CA C 13 54.663 . . 1 . . . . . 101 L CA . 52524 1 311 . 1 . 1 102 102 LEU CB C 13 42.6 . . 1 . . . . . 101 L CB . 52524 1 312 . 1 . 1 102 102 LEU N N 15 121.858 . . 1 . . . . . 101 L N . 52524 1 313 . 1 . 1 103 103 GLU H H 1 8.095 . . 1 . . . . . 102 E HN . 52524 1 314 . 1 . 1 103 103 GLU CA C 13 54.442 . . 1 . . . . . 102 E CA . 52524 1 315 . 1 . 1 103 103 GLU CB C 13 29.827 . . 1 . . . . . 102 E CB . 52524 1 316 . 1 . 1 103 103 GLU N N 15 122.834 . . 1 . . . . . 102 E N . 52524 1 317 . 1 . 1 105 105 GLY C C 13 177.417 . . 1 . . . . . 104 G C . 52524 1 318 . 1 . 1 105 105 GLY CA C 13 45.163 . . 1 . . . . . 104 G CA . 52524 1 319 . 1 . 1 106 106 PHE H H 1 7.987 . . 1 . . . . . 105 F HN . 52524 1 320 . 1 . 1 106 106 PHE CA C 13 57.789 . . 1 . . . . . 105 F CA . 52524 1 321 . 1 . 1 106 106 PHE CB C 13 39.838 . . 1 . . . . . 105 F CB . 52524 1 322 . 1 . 1 106 106 PHE N N 15 120.045 . . 1 . . . . . 105 F N . 52524 1 323 . 1 . 1 107 107 ASN C C 13 177.336 . . 1 . . . . . 106 N C . 52524 1 324 . 1 . 1 107 107 ASN CA C 13 53.027 . . 1 . . . . . 106 N CA . 52524 1 325 . 1 . 1 107 107 ASN CB C 13 39.125 . . 1 . . . . . 106 N CB . 52524 1 326 . 1 . 1 108 108 CYS H H 1 8.182 . . 1 . . . . . 107 C HN . 52524 1 327 . 1 . 1 108 108 CYS CB C 13 27.517 . . 1 . . . . . 107 C CB . 52524 1 328 . 1 . 1 108 108 CYS N N 15 120.843 . . 1 . . . . . 107 C N . 52524 1 329 . 1 . 1 109 109 PRO C C 13 174.585 . . 1 . . . . . 108 P C . 52524 1 330 . 1 . 1 109 109 PRO CA C 13 63.465 . . 1 . . . . . 108 P CA . 52524 1 331 . 1 . 1 109 109 PRO CB C 13 32.106 . . 1 . . . . . 108 P CB . 52524 1 332 . 1 . 1 110 110 GLU H H 1 8.532 . . 1 . . . . . 109 E HN . 52524 1 333 . 1 . 1 110 110 GLU C C 13 174.659 . . 1 . . . . . 109 E C . 52524 1 334 . 1 . 1 110 110 GLU CA C 13 56.88 . . 1 . . . . . 109 E CA . 52524 1 335 . 1 . 1 110 110 GLU CB C 13 30.032 . . 1 . . . . . 109 E CB . 52524 1 336 . 1 . 1 110 110 GLU N N 15 120.54 . . 1 . . . . . 109 E N . 52524 1 337 . 1 . 1 111 111 THR H H 1 8.126 . . 1 . . . . . 110 T HN . 52524 1 338 . 1 . 1 111 111 THR CA C 13 61.627 . . 1 . . . . . 110 T CA . 52524 1 339 . 1 . 1 111 111 THR CB C 13 70.23 . . 1 . . . . . 110 T CB . 52524 1 340 . 1 . 1 111 111 THR N N 15 114.565 . . 1 . . . . . 110 T N . 52524 1 341 . 1 . 1 112 112 THR C C 13 177.177 . . 1 . . . . . 111 T C . 52524 1 342 . 1 . 1 112 112 THR CA C 13 61.728 . . 1 . . . . . 111 T CA . 52524 1 343 . 1 . 1 112 112 THR CB C 13 69.735 . . 1 . . . . . 111 T CB . 52524 1 344 . 1 . 1 113 113 ASP H H 1 8.291 . . 1 . . . . . 112 D HN . 52524 1 345 . 1 . 1 113 113 ASP CA C 13 55.089 . . 1 . . . . . 112 D CA . 52524 1 346 . 1 . 1 113 113 ASP CB C 13 40.987 . . 1 . . . . . 112 D CB . 52524 1 347 . 1 . 1 113 113 ASP N N 15 122.486 . . 1 . . . . . 112 D N . 52524 1 348 . 1 . 1 125 125 PRO C C 13 174.486 . . 1 . . . . . 124 P C . 52524 1 349 . 1 . 1 125 125 PRO CA C 13 63.219 . . 1 . . . . . 124 P CA . 52524 1 350 . 1 . 1 125 125 PRO CB C 13 31.961 . . 1 . . . . . 124 P CB . 52524 1 351 . 1 . 1 126 126 SER H H 1 8.357 . . 1 . . . . . 125 S HN . 52524 1 352 . 1 . 1 126 126 SER CA C 13 58.687 . . 1 . . . . . 125 S CA . 52524 1 353 . 1 . 1 126 126 SER CB C 13 63.995 . . 1 . . . . . 125 S CB . 52524 1 354 . 1 . 1 126 126 SER N N 15 115.842 . . 1 . . . . . 125 S N . 52524 1 355 . 1 . 1 127 127 GLY C C 13 177.631 . . 1 . . . . . 126 G C . 52524 1 356 . 1 . 1 127 127 GLY CA C 13 45.15 . . 1 . . . . . 126 G CA . 52524 1 357 . 1 . 1 128 128 SER H H 1 8.148 . . 1 . . . . . 127 S HN . 52524 1 358 . 1 . 1 128 128 SER N N 15 116.62 . . 1 . . . . . 127 S N . 52524 1 359 . 1 . 1 131 131 LEU C C 13 175.398 . . 1 . . . . . 130 L C . 52524 1 360 . 1 . 1 131 131 LEU CA C 13 55.788 . . 1 . . . . . 130 L CA . 52524 1 361 . 1 . 1 131 131 LEU CB C 13 42.254 . . 1 . . . . . 130 L CB . 52524 1 362 . 1 . 1 132 132 ILE H H 1 8.115 . . 1 . . . . . 131 I HN . 52524 1 363 . 1 . 1 132 132 ILE C C 13 175.102 . . 1 . . . . . 131 I C . 52524 1 364 . 1 . 1 132 132 ILE CA C 13 61.563 . . 1 . . . . . 131 I CA . 52524 1 365 . 1 . 1 132 132 ILE CB C 13 38.595 . . 1 . . . . . 131 I CB . 52524 1 366 . 1 . 1 132 132 ILE N N 15 121.474 . . 1 . . . . . 131 I N . 52524 1 367 . 1 . 1 133 133 MET H H 1 8.306 . . 1 . . . . . 132 M HN . 52524 1 368 . 1 . 1 133 133 MET C C 13 175.312 . . 1 . . . . . 132 M C . 52524 1 369 . 1 . 1 133 133 MET CA C 13 55.98 . . 1 . . . . . 132 M CA . 52524 1 370 . 1 . 1 133 133 MET CB C 13 32.592 . . 1 . . . . . 132 M CB . 52524 1 371 . 1 . 1 133 133 MET N N 15 123.762 . . 1 . . . . . 132 M N . 52524 1 372 . 1 . 1 134 134 GLU H H 1 8.26 . . 1 . . . . . 133 E HN . 52524 1 373 . 1 . 1 134 134 GLU C C 13 175.323 . . 1 . . . . . 133 E C . 52524 1 374 . 1 . 1 134 134 GLU CA C 13 56.607 . . 1 . . . . . 133 E CA . 52524 1 375 . 1 . 1 134 134 GLU CB C 13 30.389 . . 1 . . . . . 133 E CB . 52524 1 376 . 1 . 1 134 134 GLU N N 15 120.66 . . 1 . . . . . 133 E N . 52524 1 377 . 1 . 1 135 135 ASP H H 1 8.417 . . 1 . . . . . 134 D HN . 52524 1 378 . 1 . 1 135 135 ASP C C 13 174.677 . . 1 . . . . . 134 D C . 52524 1 379 . 1 . 1 135 135 ASP CA C 13 54.664 . . 1 . . . . . 134 D CA . 52524 1 380 . 1 . 1 135 135 ASP CB C 13 41.15 . . 1 . . . . . 134 D CB . 52524 1 381 . 1 . 1 135 135 ASP N N 15 121.386 . . 1 . . . . . 134 D N . 52524 1 382 . 1 . 1 136 136 GLY H H 1 8.33 . . 1 . . . . . 135 G HN . 52524 1 383 . 1 . 1 136 136 GLY C C 13 177.439 . . 1 . . . . . 135 G C . 52524 1 384 . 1 . 1 136 136 GLY CA C 13 45.545 . . 1 . . . . . 135 G CA . 52524 1 385 . 1 . 1 136 136 GLY N N 15 109.03 . . 1 . . . . . 135 G N . 52524 1 386 . 1 . 1 137 137 VAL H H 1 7.922 . . 1 . . . . . 136 V HN . 52524 1 387 . 1 . 1 137 137 VAL CA C 13 62.654 . . 1 . . . . . 136 V CA . 52524 1 388 . 1 . 1 137 137 VAL CB C 13 32.797 . . 1 . . . . . 136 V CB . 52524 1 389 . 1 . 1 137 137 VAL N N 15 120.104 . . 1 . . . . . 136 V N . 52524 1 390 . 1 . 1 138 138 ILE C C 13 175.623 . . 1 . . . . . 137 I C . 52524 1 391 . 1 . 1 138 138 ILE CA C 13 61.007 . . 1 . . . . . 137 I CA . 52524 1 392 . 1 . 1 138 138 ILE CB C 13 38.703 . . 1 . . . . . 137 I CB . 52524 1 393 . 1 . 1 139 139 ASP H H 1 8.357 . . 1 . . . . . 138 D HN . 52524 1 394 . 1 . 1 139 139 ASP C C 13 175.382 . . 1 . . . . . 138 D C . 52524 1 395 . 1 . 1 139 139 ASP CA C 13 54.213 . . 1 . . . . . 138 D CA . 52524 1 396 . 1 . 1 139 139 ASP CB C 13 41.255 . . 1 . . . . . 138 D CB . 52524 1 397 . 1 . 1 139 139 ASP N N 15 124.674 . . 1 . . . . . 138 D N . 52524 1 398 . 1 . 1 140 140 GLU H H 1 8.338 . . 1 . . . . . 139 E HN . 52524 1 399 . 1 . 1 140 140 GLU CA C 13 56.986 . . 1 . . . . . 139 E CA . 52524 1 400 . 1 . 1 140 140 GLU CB C 13 30.187 . . 1 . . . . . 139 E CB . 52524 1 401 . 1 . 1 140 140 GLU N N 15 121.484 . . 1 . . . . . 139 E N . 52524 1 402 . 1 . 1 144 144 GLN C C 13 174.751 . . 1 . . . . . 143 Q C . 52524 1 403 . 1 . 1 144 144 GLN CA C 13 56.758 . . 1 . . . . . 143 Q CA . 52524 1 404 . 1 . 1 144 144 GLN CB C 13 30.159 . . 1 . . . . . 143 Q CB . 52524 1 405 . 1 . 1 145 145 SER H H 1 8.289 . . 1 . . . . . 144 S HN . 52524 1 406 . 1 . 1 145 145 SER C C 13 177.35 . . 1 . . . . . 144 S C . 52524 1 407 . 1 . 1 145 145 SER CA C 13 58.465 . . 1 . . . . . 144 S CA . 52524 1 408 . 1 . 1 145 145 SER CB C 13 63.893 . . 1 . . . . . 144 S CB . 52524 1 409 . 1 . 1 145 145 SER N N 15 116.575 . . 1 . . . . . 144 S N . 52524 1 410 . 1 . 1 146 146 ASP H H 1 8.346 . . 1 . . . . . 145 D HN . 52524 1 411 . 1 . 1 146 146 ASP C C 13 175.712 . . 1 . . . . . 145 D C . 52524 1 412 . 1 . 1 146 146 ASP CA C 13 54.368 . . 1 . . . . . 145 D CA . 52524 1 413 . 1 . 1 146 146 ASP CB C 13 41.194 . . 1 . . . . . 145 D CB . 52524 1 414 . 1 . 1 146 146 ASP N N 15 122.348 . . 1 . . . . . 145 D N . 52524 1 415 . 1 . 1 147 147 LEU H H 1 7.995 . . 1 . . . . . 146 L HN . 52524 1 416 . 1 . 1 147 147 LEU N N 15 122.983 . . 1 . . . . . 146 L N . 52524 1 417 . 1 . 1 159 159 GLU C C 13 175.34 . . 1 . . . . . 158 E C . 52524 1 418 . 1 . 1 159 159 GLU CA C 13 56.872 . . 1 . . . . . 158 E CA . 52524 1 419 . 1 . 1 159 159 GLU CB C 13 29.933 . . 1 . . . . . 158 E CB . 52524 1 420 . 1 . 1 160 160 ASP H H 1 8.209 . . 1 . . . . . 159 D HN . 52524 1 421 . 1 . 1 160 160 ASP CA C 13 53.308 . . 1 . . . . . 159 D CA . 52524 1 422 . 1 . 1 160 160 ASP CB C 13 38.969 . . 1 . . . . . 159 D CB . 52524 1 423 . 1 . 1 160 160 ASP N N 15 118.258 . . 1 . . . . . 159 D N . 52524 1 424 . 1 . 1 161 161 PRO C C 13 173.813 . . 1 . . . . . 160 P C . 52524 1 425 . 1 . 1 161 161 PRO CA C 13 63.576 . . 1 . . . . . 160 P CA . 52524 1 426 . 1 . 1 162 162 LEU H H 1 8.356 . . 1 . . . . . 161 L HN . 52524 1 427 . 1 . 1 162 162 LEU N N 15 120.101 . . 1 . . . . . 161 L N . 52524 1 428 . 1 . 1 165 165 SER C C 13 176.628 . . 1 . . . . . 164 S C . 52524 1 429 . 1 . 1 165 165 SER CA C 13 58.919 . . 1 . . . . . 164 S CA . 52524 1 430 . 1 . 1 165 165 SER CB C 13 63.473 . . 1 . . . . . 164 S CB . 52524 1 431 . 1 . 1 166 166 ILE H H 1 8.001 . . 1 . . . . . 165 I HN . 52524 1 432 . 1 . 1 166 166 ILE CA C 13 61.839 . . 1 . . . . . 165 I CA . 52524 1 433 . 1 . 1 166 166 ILE CB C 13 38.471 . . 1 . . . . . 165 I CB . 52524 1 434 . 1 . 1 166 166 ILE N N 15 121.947 . . 1 . . . . . 165 I N . 52524 1 435 . 1 . 1 168 168 GLY C C 13 177.293 . . 1 . . . . . 167 G C . 52524 1 436 . 1 . 1 168 168 GLY CA C 13 45.714 . . 1 . . . . . 167 G CA . 52524 1 437 . 1 . 1 169 169 ASP H H 1 8.159 . . 1 . . . . . 168 D HN . 52524 1 438 . 1 . 1 169 169 ASP CA C 13 54.751 . . 1 . . . . . 168 D CA . 52524 1 439 . 1 . 1 169 169 ASP CB C 13 41.217 . . 1 . . . . . 168 D CB . 52524 1 440 . 1 . 1 169 169 ASP N N 15 120.527 . . 1 . . . . . 168 D N . 52524 1 441 . 1 . 1 170 170 LEU C C 13 174.194 . . 1 . . . . . 169 L C . 52524 1 442 . 1 . 1 170 170 LEU CA C 13 55.307 . . 1 . . . . . 169 L CA . 52524 1 443 . 1 . 1 170 170 LEU CB C 13 41.838 . . 1 . . . . . 169 L CB . 52524 1 444 . 1 . 1 171 171 LEU H H 1 7.952 . . 1 . . . . . 170 L HN . 52524 1 445 . 1 . 1 171 171 LEU C C 13 174.194 . . 1 . . . . . 170 L C . 52524 1 446 . 1 . 1 171 171 LEU CA C 13 55.307 . . 1 . . . . . 170 L CA . 52524 1 447 . 1 . 1 171 171 LEU CB C 13 41.838 . . 1 . . . . . 170 L CB . 52524 1 448 . 1 . 1 171 171 LEU N N 15 121.959 . . 1 . . . . . 170 L N . 52524 1 449 . 1 . 1 172 172 LEU H H 1 7.952 . . 1 . . . . . 171 L HN . 52524 1 450 . 1 . 1 172 172 LEU N N 15 121.959 . . 1 . . . . . 171 L N . 52524 1 451 . 1 . 1 173 173 ASP C C 13 174.62 . . 1 . . . . . 172 D C . 52524 1 452 . 1 . 1 173 173 ASP CA C 13 54.389 . . 1 . . . . . 172 D CA . 52524 1 453 . 1 . 1 173 173 ASP CB C 13 41.23 . . 1 . . . . . 172 D CB . 52524 1 454 . 1 . 1 174 174 THR H H 1 8.089 . . 1 . . . . . 173 T HN . 52524 1 455 . 1 . 1 174 174 THR N N 15 114.378 . . 1 . . . . . 173 T N . 52524 1 456 . 1 . 1 175 175 ASN C C 13 176.148 . . 1 . . . . . 174 N C . 52524 1 457 . 1 . 1 175 175 ASN CA C 13 53.534 . . 1 . . . . . 174 N CA . 52524 1 458 . 1 . 1 175 175 ASN CB C 13 38.784 . . 1 . . . . . 174 N CB . 52524 1 459 . 1 . 1 176 176 PHE H H 1 8.09 . . 1 . . . . . 175 F HN . 52524 1 460 . 1 . 1 176 176 PHE CA C 13 58.643 . . 1 . . . . . 175 F CA . 52524 1 461 . 1 . 1 176 176 PHE CB C 13 38.612 . . 1 . . . . . 175 F CB . 52524 1 462 . 1 . 1 176 176 PHE N N 15 120.583 . . 1 . . . . . 175 F N . 52524 1 463 . 1 . 1 177 177 ASN C C 13 176.027 . . 1 . . . . . 176 N C . 52524 1 464 . 1 . 1 177 177 ASN CA C 13 53.549 . . 1 . . . . . 176 N CA . 52524 1 465 . 1 . 1 177 177 ASN CB C 13 38.863 . . 1 . . . . . 176 N CB . 52524 1 466 . 1 . 1 178 178 SER H H 1 8.188 . . 1 . . . . . 177 S HN . 52524 1 467 . 1 . 1 178 178 SER C C 13 176.71 . . 1 . . . . . 177 S C . 52524 1 468 . 1 . 1 178 178 SER CA C 13 57.812 . . 1 . . . . . 177 S CA . 52524 1 469 . 1 . 1 178 178 SER CB C 13 63.724 . . 1 . . . . . 177 S CB . 52524 1 470 . 1 . 1 178 178 SER N N 15 116.41 . . 1 . . . . . 177 S N . 52524 1 471 . 1 . 1 179 179 ALA H H 1 8.28 . . 1 . . . . . 178 A HN . 52524 1 472 . 1 . 1 179 179 ALA C C 13 173.409 . . 1 . . . . . 178 A C . 52524 1 473 . 1 . 1 179 179 ALA CA C 13 52.84 . . 1 . . . . . 178 A CA . 52524 1 474 . 1 . 1 179 179 ALA CB C 13 18.928 . . 1 . . . . . 178 A CB . 52524 1 475 . 1 . 1 179 179 ALA N N 15 125.398 . . 1 . . . . . 178 A N . 52524 1 476 . 1 . 1 180 180 SER H H 1 8.083 . . 1 . . . . . 179 S HN . 52524 1 477 . 1 . 1 180 180 SER CA C 13 59.052 . . 1 . . . . . 179 S CA . 52524 1 478 . 1 . 1 180 180 SER CB C 13 63.756 . . 1 . . . . . 179 S CB . 52524 1 479 . 1 . 1 180 180 SER N N 15 114.188 . . 1 . . . . . 179 S N . 52524 1 480 . 1 . 1 182 182 VAL C C 13 175.371 . . 1 . . . . . 181 V C . 52524 1 481 . 1 . 1 182 182 VAL CA C 13 62.471 . . 1 . . . . . 181 V CA . 52524 1 482 . 1 . 1 182 182 VAL CB C 13 32.557 . . 1 . . . . . 181 V CB . 52524 1 483 . 1 . 1 183 183 GLN H H 1 8.435 . . 1 . . . . . 182 Q HN . 52524 1 484 . 1 . 1 183 183 GLN C C 13 175.872 . . 1 . . . . . 182 Q C . 52524 1 485 . 1 . 1 183 183 GLN CA C 13 55.647 . . 1 . . . . . 182 Q CA . 52524 1 486 . 1 . 1 183 183 GLN CB C 13 29.668 . . 1 . . . . . 182 Q CB . 52524 1 487 . 1 . 1 183 183 GLN N N 15 124.48 . . 1 . . . . . 182 Q N . 52524 1 488 . 1 . 1 184 184 GLN H H 1 8.438 . . 1 . . . . . 183 Q HN . 52524 1 489 . 1 . 1 184 184 GLN N N 15 122.992 . . 1 . . . . . 183 Q N . 52524 1 490 . 1 . 1 194 194 PRO C C 13 174.543 . . 1 . . . . . 193 P C . 52524 1 491 . 1 . 1 194 194 PRO CA C 13 63.613 . . 1 . . . . . 193 P CA . 52524 1 492 . 1 . 1 194 194 PRO CB C 13 32.224 . . 1 . . . . . 193 P CB . 52524 1 493 . 1 . 1 195 195 GLN H H 1 8.489 . . 1 . . . . . 194 Q HN . 52524 1 494 . 1 . 1 195 195 GLN N N 15 120.526 . . 1 . . . . . 194 Q N . 52524 1 495 . 1 . 1 198 198 LEU C C 13 173.968 . . 1 . . . . . 197 L C . 52524 1 496 . 1 . 1 198 198 LEU CA C 13 55.316 . . 1 . . . . . 197 L CA . 52524 1 497 . 1 . 1 198 198 LEU CB C 13 42.03 . . 1 . . . . . 197 L CB . 52524 1 498 . 1 . 1 199 199 GLN H H 1 8.201 . . 1 . . . . . 198 Q HN . 52524 1 499 . 1 . 1 199 199 GLN CA C 13 56.017 . . 1 . . . . . 198 Q CA . 52524 1 500 . 1 . 1 199 199 GLN CB C 13 31.016 . . 1 . . . . . 198 Q CB . 52524 1 501 . 1 . 1 199 199 GLN N N 15 121.34 . . 1 . . . . . 198 Q N . 52524 1 502 . 1 . 1 201 201 PRO C C 13 174.377 . . 1 . . . . . 200 P C . 52524 1 503 . 1 . 1 201 201 PRO CA C 13 63.119 . . 1 . . . . . 200 P CA . 52524 1 504 . 1 . 1 201 201 PRO CB C 13 32.19 . . 1 . . . . . 200 P CB . 52524 1 505 . 1 . 1 202 202 SER H H 1 8.485 . . 1 . . . . . 201 S HN . 52524 1 506 . 1 . 1 202 202 SER N N 15 116.058 . . 1 . . . . . 201 S N . 52524 1 507 . 1 . 1 209 209 PRO C C 13 174.576 . . 1 . . . . . 208 P C . 52524 1 508 . 1 . 1 209 209 PRO CA C 13 63.46 . . 1 . . . . . 208 P CA . 52524 1 509 . 1 . 1 209 209 PRO CB C 13 31.949 . . 1 . . . . . 208 P CB . 52524 1 510 . 1 . 1 210 210 LEU H H 1 8.093 . . 1 . . . . . 209 L HN . 52524 1 511 . 1 . 1 210 210 LEU CA C 13 55.432 . . 1 . . . . . 209 L CA . 52524 1 512 . 1 . 1 210 210 LEU CB C 13 42.117 . . 1 . . . . . 209 L CB . 52524 1 513 . 1 . 1 210 210 LEU N N 15 121.112 . . 1 . . . . . 209 L N . 52524 1 514 . 1 . 1 215 215 SER C C 13 176.723 . . 1 . . . . . 214 S C . 52524 1 515 . 1 . 1 215 215 SER CA C 13 58.507 . . 1 . . . . . 214 S CA . 52524 1 516 . 1 . 1 215 215 SER CB C 13 63.918 . . 1 . . . . . 214 S CB . 52524 1 517 . 1 . 1 216 216 SER H H 1 8.391 . . 1 . . . . . 215 S HN . 52524 1 518 . 1 . 1 216 216 SER CA C 13 58.421 . . 1 . . . . . 215 S CA . 52524 1 519 . 1 . 1 216 216 SER N N 15 117.992 . . 1 . . . . . 215 S N . 52524 1 520 . 1 . 1 370 370 GLN C C 13 174.934 . . 1 . . . . . 369 Q C . 52524 1 521 . 1 . 1 370 370 GLN CA C 13 56.009 . . 1 . . . . . 369 Q CA . 52524 1 522 . 1 . 1 370 370 GLN CB C 13 29.487 . . 1 . . . . . 369 Q CB . 52524 1 523 . 1 . 1 371 371 GLY H H 1 8.364 . . 1 . . . . . 370 G HN . 52524 1 524 . 1 . 1 371 371 GLY C C 13 177.392 . . 1 . . . . . 370 G C . 52524 1 525 . 1 . 1 371 371 GLY CA C 13 45.232 . . 1 . . . . . 370 G CA . 52524 1 526 . 1 . 1 371 371 GLY N N 15 109.656 . . 1 . . . . . 370 G N . 52524 1 527 . 1 . 1 372 372 GLU H H 1 8.327 . . 1 . . . . . 371 E HN . 52524 1 528 . 1 . 1 372 372 GLU CA C 13 56.569 . . 1 . . . . . 371 E CA . 52524 1 529 . 1 . 1 372 372 GLU CB C 13 30.357 . . 1 . . . . . 371 E CB . 52524 1 530 . 1 . 1 372 372 GLU N N 15 120.763 . . 1 . . . . . 371 E N . 52524 1 531 . 1 . 1 373 373 LYS C C 13 174.474 . . 1 . . . . . 372 K C . 52524 1 532 . 1 . 1 373 373 LYS CA C 13 56.12 . . 1 . . . . . 372 K CA . 52524 1 533 . 1 . 1 373 373 LYS CB C 13 32.864 . . 1 . . . . . 372 K CB . 52524 1 534 . 1 . 1 374 374 THR H H 1 8.194 . . 1 . . . . . 373 T HN . 52524 1 535 . 1 . 1 374 374 THR C C 13 176.84 . . 1 . . . . . 373 T C . 52524 1 536 . 1 . 1 374 374 THR CA C 13 61.77 . . 1 . . . . . 373 T CA . 52524 1 537 . 1 . 1 374 374 THR CB C 13 69.781 . . 1 . . . . . 373 T CB . 52524 1 538 . 1 . 1 374 374 THR N N 15 115.193 . . 1 . . . . . 373 T N . 52524 1 539 . 1 . 1 375 375 SER H H 1 8.334 . . 1 . . . . . 374 S HN . 52524 1 540 . 1 . 1 375 375 SER C C 13 177.291 . . 1 . . . . . 374 S C . 52524 1 541 . 1 . 1 375 375 SER CA C 13 58.189 . . 1 . . . . . 374 S CA . 52524 1 542 . 1 . 1 375 375 SER CB C 13 63.909 . . 1 . . . . . 374 S CB . 52524 1 543 . 1 . 1 375 375 SER N N 15 118.165 . . 1 . . . . . 374 S N . 52524 1 544 . 1 . 1 376 376 ALA H H 1 8.319 . . 1 . . . . . 375 A HN . 52524 1 545 . 1 . 1 376 376 ALA C C 13 173.945 . . 1 . . . . . 375 A C . 52524 1 546 . 1 . 1 376 376 ALA CA C 13 52.463 . . 1 . . . . . 375 A CA . 52524 1 547 . 1 . 1 376 376 ALA CB C 13 19.381 . . 1 . . . . . 375 A CB . 52524 1 548 . 1 . 1 376 376 ALA N N 15 126.115 . . 1 . . . . . 375 A N . 52524 1 549 . 1 . 1 377 377 LYS H H 1 8.294 . . 1 . . . . . 376 K HN . 52524 1 550 . 1 . 1 377 377 LYS C C 13 174.928 . . 1 . . . . . 376 K C . 52524 1 551 . 1 . 1 377 377 LYS CA C 13 55.978 . . 1 . . . . . 376 K CA . 52524 1 552 . 1 . 1 377 377 LYS CB C 13 33.14 . . 1 . . . . . 376 K CB . 52524 1 553 . 1 . 1 377 377 LYS N N 15 121.095 . . 1 . . . . . 376 K N . 52524 1 554 . 1 . 1 378 378 THR H H 1 8.278 . . 1 . . . . . 377 T HN . 52524 1 555 . 1 . 1 378 378 THR CA C 13 59.981 . . 1 . . . . . 377 T CA . 52524 1 556 . 1 . 1 378 378 THR CB C 13 69.626 . . 1 . . . . . 377 T CB . 52524 1 557 . 1 . 1 378 378 THR N N 15 118.516 . . 1 . . . . . 377 T N . 52524 1 558 . 1 . 1 379 379 PRO C C 13 174.684 . . 1 . . . . . 378 P C . 52524 1 559 . 1 . 1 379 379 PRO CA C 13 62.877 . . 1 . . . . . 378 P CA . 52524 1 560 . 1 . 1 379 379 PRO CB C 13 32.279 . . 1 . . . . . 378 P CB . 52524 1 561 . 1 . 1 380 380 GLU H H 1 8.456 . . 1 . . . . . 379 E HN . 52524 1 562 . 1 . 1 380 380 GLU C C 13 175.274 . . 1 . . . . . 379 E C . 52524 1 563 . 1 . 1 380 380 GLU CA C 13 56.356 . . 1 . . . . . 379 E CA . 52524 1 564 . 1 . 1 380 380 GLU CB C 13 30.832 . . 1 . . . . . 379 E CB . 52524 1 565 . 1 . 1 380 380 GLU N N 15 121.039 . . 1 . . . . . 379 E N . 52524 1 566 . 1 . 1 381 381 ASN H H 1 8.498 . . 1 . . . . . 380 N HN . 52524 1 567 . 1 . 1 381 381 ASN C C 13 175.613 . . 1 . . . . . 380 N C . 52524 1 568 . 1 . 1 381 381 ASN CA C 13 53.334 . . 1 . . . . . 380 N CA . 52524 1 569 . 1 . 1 381 381 ASN CB C 13 38.984 . . 1 . . . . . 380 N CB . 52524 1 570 . 1 . 1 381 381 ASN N N 15 119.294 . . 1 . . . . . 380 N N . 52524 1 571 . 1 . 1 382 382 GLY H H 1 8.457 . . 1 . . . . . 381 G HN . 52524 1 572 . 1 . 1 382 382 GLY C C 13 177.105 . . 1 . . . . . 381 G C . 52524 1 573 . 1 . 1 382 382 GLY CA C 13 45.571 . . 1 . . . . . 381 G CA . 52524 1 574 . 1 . 1 382 382 GLY N N 15 109.679 . . 1 . . . . . 381 G N . 52524 1 575 . 1 . 1 383 383 SER H H 1 8.232 . . 1 . . . . . 382 S HN . 52524 1 576 . 1 . 1 383 383 SER C C 13 176.678 . . 1 . . . . . 382 S C . 52524 1 577 . 1 . 1 383 383 SER CA C 13 58.433 . . 1 . . . . . 382 S CA . 52524 1 578 . 1 . 1 383 383 SER CB C 13 63.975 . . 1 . . . . . 382 S CB . 52524 1 579 . 1 . 1 383 383 SER N N 15 115.572 . . 1 . . . . . 382 S N . 52524 1 580 . 1 . 1 384 384 GLU H H 1 8.611 . . 1 . . . . . 383 E HN . 52524 1 581 . 1 . 1 384 384 GLU C C 13 174.666 . . 1 . . . . . 383 E C . 52524 1 582 . 1 . 1 384 384 GLU CA C 13 56.912 . . 1 . . . . . 383 E CA . 52524 1 583 . 1 . 1 384 384 GLU CB C 13 30.058 . . 1 . . . . . 383 E CB . 52524 1 584 . 1 . 1 384 384 GLU N N 15 122.781 . . 1 . . . . . 383 E N . 52524 1 585 . 1 . 1 385 385 GLU H H 1 8.451 . . 1 . . . . . 384 E HN . 52524 1 586 . 1 . 1 385 385 GLU CA C 13 56.912 . . 1 . . . . . 384 E CA . 52524 1 587 . 1 . 1 385 385 GLU CB C 13 30.2 . . 1 . . . . . 384 E CB . 52524 1 588 . 1 . 1 385 385 GLU N N 15 121.64 . . 1 . . . . . 384 E N . 52524 1 589 . 1 . 1 386 386 SER C C 13 176.914 . . 1 . . . . . 385 S C . 52524 1 590 . 1 . 1 386 386 SER CA C 13 58.61 . . 1 . . . . . 385 S CA . 52524 1 591 . 1 . 1 386 386 SER CB C 13 63.847 . . 1 . . . . . 385 S CB . 52524 1 592 . 1 . 1 387 387 GLU H H 1 8.367 . . 1 . . . . . 386 E HN . 52524 1 593 . 1 . 1 387 387 GLU C C 13 175.134 . . 1 . . . . . 386 E C . 52524 1 594 . 1 . 1 387 387 GLU CA C 13 56.381 . . 1 . . . . . 386 E CA . 52524 1 595 . 1 . 1 387 387 GLU CB C 13 30.393 . . 1 . . . . . 386 E CB . 52524 1 596 . 1 . 1 387 387 GLU N N 15 122.289 . . 1 . . . . . 386 E N . 52524 1 597 . 1 . 1 388 388 SER H H 1 8.288 . . 1 . . . . . 387 S HN . 52524 1 598 . 1 . 1 388 388 SER CA C 13 56.566 . . 1 . . . . . 387 S CA . 52524 1 599 . 1 . 1 388 388 SER CB C 13 63.379 . . 1 . . . . . 387 S CB . 52524 1 600 . 1 . 1 388 388 SER N N 15 118.147 . . 1 . . . . . 387 S N . 52524 1 601 . 1 . 1 389 389 PRO C C 13 174.668 . . 1 . . . . . 388 P C . 52524 1 602 . 1 . 1 389 389 PRO CA C 13 63.003 . . 1 . . . . . 388 P CA . 52524 1 603 . 1 . 1 389 389 PRO CB C 13 32.06 . . 1 . . . . . 388 P CB . 52524 1 604 . 1 . 1 390 390 ARG H H 1 8.378 . . 1 . . . . . 389 R HN . 52524 1 605 . 1 . 1 390 390 ARG CA C 13 53.987 . . 1 . . . . . 389 R CA . 52524 1 606 . 1 . 1 390 390 ARG CB C 13 30.37 . . 1 . . . . . 389 R CB . 52524 1 607 . 1 . 1 390 390 ARG N N 15 122.536 . . 1 . . . . . 389 R N . 52524 1 608 . 1 . 1 391 391 PRO C C 13 174.641 . . 1 . . . . . 390 P C . 52524 1 609 . 1 . 1 391 391 PRO CA C 13 62.898 . . 1 . . . . . 390 P CA . 52524 1 610 . 1 . 1 391 391 PRO CB C 13 32.192 . . 1 . . . . . 390 P CB . 52524 1 611 . 1 . 1 392 392 LYS H H 1 8.471 . . 1 . . . . . 391 K HN . 52524 1 612 . 1 . 1 392 392 LYS C C 13 174.986 . . 1 . . . . . 391 K C . 52524 1 613 . 1 . 1 392 392 LYS CA C 13 56.123 . . 1 . . . . . 391 K CA . 52524 1 614 . 1 . 1 392 392 LYS CB C 13 33.073 . . 1 . . . . . 391 K CB . 52524 1 615 . 1 . 1 392 392 LYS N N 15 122.163 . . 1 . . . . . 391 K N . 52524 1 616 . 1 . 1 393 393 ARG H H 1 8.356 . . 1 . . . . . 392 R HN . 52524 1 617 . 1 . 1 393 393 ARG CA C 13 53.904 . . 1 . . . . . 392 R CA . 52524 1 618 . 1 . 1 393 393 ARG CB C 13 30.448 . . 1 . . . . . 392 R CB . 52524 1 619 . 1 . 1 393 393 ARG N N 15 123.374 . . 1 . . . . . 392 R N . 52524 1 620 . 1 . 1 394 394 PRO C C 13 174.318 . . 1 . . . . . 393 P C . 52524 1 621 . 1 . 1 394 394 PRO CA C 13 63.292 . . 1 . . . . . 393 P CA . 52524 1 622 . 1 . 1 394 394 PRO CB C 13 32.17 . . 1 . . . . . 393 P CB . 52524 1 623 . 1 . 1 395 395 ARG H H 1 8.601 . . 1 . . . . . 394 R HN . 52524 1 624 . 1 . 1 395 395 ARG C C 13 174.94 . . 1 . . . . . 394 R C . 52524 1 625 . 1 . 1 395 395 ARG CA C 13 56.94 . . 1 . . . . . 394 R CA . 52524 1 626 . 1 . 1 395 395 ARG CB C 13 30.085 . . 1 . . . . . 394 R CB . 52524 1 627 . 1 . 1 395 395 ARG N N 15 121.338 . . 1 . . . . . 394 R N . 52524 1 628 . 1 . 1 396 396 ASN H H 1 8.502 . . 1 . . . . . 395 N HN . 52524 1 629 . 1 . 1 396 396 ASN C C 13 176.515 . . 1 . . . . . 395 N C . 52524 1 630 . 1 . 1 396 396 ASN CA C 13 53.543 . . 1 . . . . . 395 N CA . 52524 1 631 . 1 . 1 396 396 ASN CB C 13 38.758 . . 1 . . . . . 395 N CB . 52524 1 632 . 1 . 1 396 396 ASN N N 15 119.469 . . 1 . . . . . 395 N N . 52524 1 633 . 1 . 1 397 397 GLU H H 1 8.309 . . 1 . . . . . 396 E HN . 52524 1 634 . 1 . 1 397 397 GLU C C 13 176.065 . . 1 . . . . . 396 E C . 52524 1 635 . 1 . 1 397 397 GLU CA C 13 56.45 . . 1 . . . . . 396 E CA . 52524 1 636 . 1 . 1 397 397 GLU CB C 13 30.462 . . 1 . . . . . 396 E CB . 52524 1 637 . 1 . 1 397 397 GLU N N 15 121.179 . . 1 . . . . . 396 E N . 52524 1 638 . 1 . 1 398 398 GLU H H 1 7.955 . . 1 . . . . . 397 E HN . 52524 1 639 . 1 . 1 398 398 GLU CA C 13 58.172 . . 1 . . . . . 397 E CA . 52524 1 640 . 1 . 1 398 398 GLU CB C 13 31.049 . . 1 . . . . . 397 E CB . 52524 1 641 . 1 . 1 398 398 GLU N N 15 126.716 . . 1 . . . . . 397 E N . 52524 1 stop_ save_