data_31058 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31058 _Entry.Title ; Alpha7 nicotinic acetylcholine receptor intracellular and transmembrane domains bound to ivermectin in a desensitized state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-11-11 _Entry.Accession_date 2022-11-11 _Entry.Last_release_date 2022-12-12 _Entry.Original_release_date 2022-12-12 _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 NMR' _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 V. Bondarenko V. . . . 31058 2 Q. Chen Q. . . . 31058 3 P. Tang P. . . . 31058 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'MEMBRANE PROTEIN' . 31058 'desensitized state' . 31058 ivermectin . 31058 'nicotinic acetylcholine receptor' . 31058 'transmembrane and intracellular domain' . 31058 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 31058 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 764 31058 '15N chemical shifts' 239 31058 '1H chemical shifts' 1104 31058 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-03-17 2022-11-11 update BMRB 'update entry citation' 31058 1 . . 2023-02-14 2022-11-11 original author 'original release' 31058 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8F4V 'BMRB Entry Tracking System' 31058 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31058 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36821490 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural Elucidation of Ivermectin Binding to Alpha7nAChR and the Induced Channel Desensitization ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'ACS Chem. Neurosci.' _Citation.Journal_name_full 'ACS chemical neuroscience' _Citation.Journal_volume 14 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1948-7193 _Citation.Journal_CSD 0353 _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 1156 _Citation.Page_last 1165 _Citation.Year 2023 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Vasyl Bondarenko V. . . . 31058 1 2 Qiang Chen Q. . . . 31058 1 3 Kevin Singewald K. . . . 31058 1 4 Nandan Haloi N. . . . 31058 1 5 Tommy Tillman T. S. . . 31058 1 6 Rebecca Howard R. J. . . 31058 1 7 Erik Lindahl E. . . . 31058 1 8 Yan Xu Y. . . . 31058 1 9 Pei Tang P. . . . 31058 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31058 _Assembly.ID 1 _Assembly.Name 'Neuronal acetylcholine receptor subunit alpha-7' _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 unit_1 1 $entity_1 A A yes . . . . . . 31058 1 2 unit_2 1 $entity_1 B B yes . . . . . . 31058 1 3 unit_3 1 $entity_1 C C yes . . . . . . 31058 1 4 unit_4 1 $entity_1 D D yes . . . . . . 31058 1 5 unit_5 1 $entity_1 E E yes . . . . . . 31058 1 6 unit_6 2 $entity_IVM F A no . . . . . . 31058 1 7 unit_7 2 $entity_IVM G A no . . . . . . 31058 1 8 unit_8 2 $entity_IVM H B no . . . . . . 31058 1 9 unit_9 2 $entity_IVM I C no . . . . . . 31058 1 10 unit_10 2 $entity_IVM J D no . . . . . . 31058 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31058 _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 A,B,C,D,E _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SNAEEELYYGLNLLIPCVLI SALALLVFLLPADSGEKISL GITVLLSLTVFMLLVAEIMP STSDSSPSIAQYFASTMIIV GLSVVVTVIVLQYHHHDPDG GKMPKWTRVILLNWCAWFLR MKRPGEDKVRPACQHKQRRC SLASVEMSAVAPPPASNGNL LYIGFRGLDGVHCVPTPDSG VVCGRMACSPTHDEHLLHGG QPPEGDPDLAKILEEVRYIA NRFRCQDESEAVCSEWKFAA CVVDRLCLMAFSVFTIICTI GILMSAPNFVEE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 272 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'Transmembrane domain and intracellular domain residues 231-496' _Entity.Mutation 'A263S, V268S, L270S, A474E' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 29831.779 _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 1 203 SER . 31058 1 2 204 ASN . 31058 1 3 205 ALA . 31058 1 4 206 GLU . 31058 1 5 207 GLU . 31058 1 6 208 GLU . 31058 1 7 209 LEU . 31058 1 8 210 TYR . 31058 1 9 211 TYR . 31058 1 10 212 GLY . 31058 1 11 213 LEU . 31058 1 12 214 ASN . 31058 1 13 215 LEU . 31058 1 14 216 LEU . 31058 1 15 217 ILE . 31058 1 16 218 PRO . 31058 1 17 219 CYS . 31058 1 18 220 VAL . 31058 1 19 221 LEU . 31058 1 20 222 ILE . 31058 1 21 223 SER . 31058 1 22 224 ALA . 31058 1 23 225 LEU . 31058 1 24 226 ALA . 31058 1 25 227 LEU . 31058 1 26 228 LEU . 31058 1 27 229 VAL . 31058 1 28 230 PHE . 31058 1 29 231 LEU . 31058 1 30 232 LEU . 31058 1 31 233 PRO . 31058 1 32 234 ALA . 31058 1 33 235 ASP . 31058 1 34 236 SER . 31058 1 35 237 GLY . 31058 1 36 238 GLU . 31058 1 37 239 LYS . 31058 1 38 240 ILE . 31058 1 39 241 SER . 31058 1 40 242 LEU . 31058 1 41 243 GLY . 31058 1 42 244 ILE . 31058 1 43 245 THR . 31058 1 44 246 VAL . 31058 1 45 247 LEU . 31058 1 46 248 LEU . 31058 1 47 249 SER . 31058 1 48 250 LEU . 31058 1 49 251 THR . 31058 1 50 252 VAL . 31058 1 51 253 PHE . 31058 1 52 254 MET . 31058 1 53 255 LEU . 31058 1 54 256 LEU . 31058 1 55 257 VAL . 31058 1 56 258 ALA . 31058 1 57 259 GLU . 31058 1 58 260 ILE . 31058 1 59 261 MET . 31058 1 60 262 PRO . 31058 1 61 263 SER . 31058 1 62 264 THR . 31058 1 63 265 SER . 31058 1 64 266 ASP . 31058 1 65 267 SER . 31058 1 66 268 SER . 31058 1 67 269 PRO . 31058 1 68 270 SER . 31058 1 69 271 ILE . 31058 1 70 272 ALA . 31058 1 71 273 GLN . 31058 1 72 274 TYR . 31058 1 73 275 PHE . 31058 1 74 276 ALA . 31058 1 75 277 SER . 31058 1 76 278 THR . 31058 1 77 279 MET . 31058 1 78 280 ILE . 31058 1 79 281 ILE . 31058 1 80 282 VAL . 31058 1 81 283 GLY . 31058 1 82 284 LEU . 31058 1 83 285 SER . 31058 1 84 286 VAL . 31058 1 85 287 VAL . 31058 1 86 288 VAL . 31058 1 87 289 THR . 31058 1 88 290 VAL . 31058 1 89 291 ILE . 31058 1 90 292 VAL . 31058 1 91 293 LEU . 31058 1 92 294 GLN . 31058 1 93 295 TYR . 31058 1 94 296 HIS . 31058 1 95 297 HIS . 31058 1 96 298 HIS . 31058 1 97 299 ASP . 31058 1 98 300 PRO . 31058 1 99 301 ASP . 31058 1 100 302 GLY . 31058 1 101 303 GLY . 31058 1 102 304 LYS . 31058 1 103 305 MET . 31058 1 104 306 PRO . 31058 1 105 307 LYS . 31058 1 106 308 TRP . 31058 1 107 309 THR . 31058 1 108 310 ARG . 31058 1 109 311 VAL . 31058 1 110 312 ILE . 31058 1 111 313 LEU . 31058 1 112 314 LEU . 31058 1 113 315 ASN . 31058 1 114 316 TRP . 31058 1 115 317 CYS . 31058 1 116 318 ALA . 31058 1 117 319 TRP . 31058 1 118 320 PHE . 31058 1 119 321 LEU . 31058 1 120 322 ARG . 31058 1 121 323 MET . 31058 1 122 324 LYS . 31058 1 123 325 ARG . 31058 1 124 326 PRO . 31058 1 125 327 GLY . 31058 1 126 328 GLU . 31058 1 127 329 ASP . 31058 1 128 330 LYS . 31058 1 129 331 VAL . 31058 1 130 332 ARG . 31058 1 131 333 PRO . 31058 1 132 334 ALA . 31058 1 133 335 CYS . 31058 1 134 336 GLN . 31058 1 135 337 HIS . 31058 1 136 338 LYS . 31058 1 137 339 GLN . 31058 1 138 340 ARG . 31058 1 139 341 ARG . 31058 1 140 342 CYS . 31058 1 141 343 SER . 31058 1 142 344 LEU . 31058 1 143 345 ALA . 31058 1 144 346 SER . 31058 1 145 347 VAL . 31058 1 146 348 GLU . 31058 1 147 349 MET . 31058 1 148 350 SER . 31058 1 149 351 ALA . 31058 1 150 352 VAL . 31058 1 151 353 ALA . 31058 1 152 354 PRO . 31058 1 153 355 PRO . 31058 1 154 356 PRO . 31058 1 155 357 ALA . 31058 1 156 358 SER . 31058 1 157 359 ASN . 31058 1 158 360 GLY . 31058 1 159 361 ASN . 31058 1 160 362 LEU . 31058 1 161 363 LEU . 31058 1 162 364 TYR . 31058 1 163 365 ILE . 31058 1 164 366 GLY . 31058 1 165 367 PHE . 31058 1 166 368 ARG . 31058 1 167 369 GLY . 31058 1 168 370 LEU . 31058 1 169 371 ASP . 31058 1 170 372 GLY . 31058 1 171 373 VAL . 31058 1 172 374 HIS . 31058 1 173 375 CYS . 31058 1 174 376 VAL . 31058 1 175 377 PRO . 31058 1 176 378 THR . 31058 1 177 379 PRO . 31058 1 178 380 ASP . 31058 1 179 381 SER . 31058 1 180 382 GLY . 31058 1 181 383 VAL . 31058 1 182 384 VAL . 31058 1 183 385 CYS . 31058 1 184 386 GLY . 31058 1 185 387 ARG . 31058 1 186 388 MET . 31058 1 187 389 ALA . 31058 1 188 390 CYS . 31058 1 189 391 SER . 31058 1 190 392 PRO . 31058 1 191 393 THR . 31058 1 192 394 HIS . 31058 1 193 395 ASP . 31058 1 194 396 GLU . 31058 1 195 397 HIS . 31058 1 196 398 LEU . 31058 1 197 399 LEU . 31058 1 198 400 HIS . 31058 1 199 401 GLY . 31058 1 200 402 GLY . 31058 1 201 403 GLN . 31058 1 202 404 PRO . 31058 1 203 405 PRO . 31058 1 204 406 GLU . 31058 1 205 407 GLY . 31058 1 206 408 ASP . 31058 1 207 409 PRO . 31058 1 208 410 ASP . 31058 1 209 411 LEU . 31058 1 210 412 ALA . 31058 1 211 413 LYS . 31058 1 212 414 ILE . 31058 1 213 415 LEU . 31058 1 214 416 GLU . 31058 1 215 417 GLU . 31058 1 216 418 VAL . 31058 1 217 419 ARG . 31058 1 218 420 TYR . 31058 1 219 421 ILE . 31058 1 220 422 ALA . 31058 1 221 423 ASN . 31058 1 222 424 ARG . 31058 1 223 425 PHE . 31058 1 224 426 ARG . 31058 1 225 427 CYS . 31058 1 226 428 GLN . 31058 1 227 429 ASP . 31058 1 228 430 GLU . 31058 1 229 431 SER . 31058 1 230 432 GLU . 31058 1 231 433 ALA . 31058 1 232 434 VAL . 31058 1 233 435 CYS . 31058 1 234 436 SER . 31058 1 235 437 GLU . 31058 1 236 438 TRP . 31058 1 237 439 LYS . 31058 1 238 440 PHE . 31058 1 239 441 ALA . 31058 1 240 442 ALA . 31058 1 241 443 CYS . 31058 1 242 444 VAL . 31058 1 243 445 VAL . 31058 1 244 446 ASP . 31058 1 245 447 ARG . 31058 1 246 448 LEU . 31058 1 247 449 CYS . 31058 1 248 450 LEU . 31058 1 249 451 MET . 31058 1 250 452 ALA . 31058 1 251 453 PHE . 31058 1 252 454 SER . 31058 1 253 455 VAL . 31058 1 254 456 PHE . 31058 1 255 457 THR . 31058 1 256 458 ILE . 31058 1 257 459 ILE . 31058 1 258 460 CYS . 31058 1 259 461 THR . 31058 1 260 462 ILE . 31058 1 261 463 GLY . 31058 1 262 464 ILE . 31058 1 263 465 LEU . 31058 1 264 466 MET . 31058 1 265 467 SER . 31058 1 266 468 ALA . 31058 1 267 469 PRO . 31058 1 268 470 ASN . 31058 1 269 471 PHE . 31058 1 270 472 VAL . 31058 1 271 473 GLU . 31058 1 272 474 GLU . 31058 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 . SER 1 1 31058 1 . ASN 2 2 31058 1 . ALA 3 3 31058 1 . GLU 4 4 31058 1 . GLU 5 5 31058 1 . GLU 6 6 31058 1 . LEU 7 7 31058 1 . TYR 8 8 31058 1 . TYR 9 9 31058 1 . GLY 10 10 31058 1 . LEU 11 11 31058 1 . ASN 12 12 31058 1 . LEU 13 13 31058 1 . LEU 14 14 31058 1 . ILE 15 15 31058 1 . PRO 16 16 31058 1 . CYS 17 17 31058 1 . VAL 18 18 31058 1 . LEU 19 19 31058 1 . ILE 20 20 31058 1 . SER 21 21 31058 1 . ALA 22 22 31058 1 . LEU 23 23 31058 1 . ALA 24 24 31058 1 . LEU 25 25 31058 1 . LEU 26 26 31058 1 . VAL 27 27 31058 1 . PHE 28 28 31058 1 . LEU 29 29 31058 1 . LEU 30 30 31058 1 . PRO 31 31 31058 1 . ALA 32 32 31058 1 . ASP 33 33 31058 1 . SER 34 34 31058 1 . GLY 35 35 31058 1 . GLU 36 36 31058 1 . LYS 37 37 31058 1 . ILE 38 38 31058 1 . SER 39 39 31058 1 . LEU 40 40 31058 1 . GLY 41 41 31058 1 . ILE 42 42 31058 1 . THR 43 43 31058 1 . VAL 44 44 31058 1 . LEU 45 45 31058 1 . LEU 46 46 31058 1 . SER 47 47 31058 1 . LEU 48 48 31058 1 . THR 49 49 31058 1 . VAL 50 50 31058 1 . PHE 51 51 31058 1 . MET 52 52 31058 1 . LEU 53 53 31058 1 . LEU 54 54 31058 1 . VAL 55 55 31058 1 . ALA 56 56 31058 1 . GLU 57 57 31058 1 . ILE 58 58 31058 1 . MET 59 59 31058 1 . PRO 60 60 31058 1 . SER 61 61 31058 1 . THR 62 62 31058 1 . SER 63 63 31058 1 . ASP 64 64 31058 1 . SER 65 65 31058 1 . SER 66 66 31058 1 . PRO 67 67 31058 1 . SER 68 68 31058 1 . ILE 69 69 31058 1 . ALA 70 70 31058 1 . GLN 71 71 31058 1 . TYR 72 72 31058 1 . PHE 73 73 31058 1 . ALA 74 74 31058 1 . SER 75 75 31058 1 . THR 76 76 31058 1 . MET 77 77 31058 1 . ILE 78 78 31058 1 . ILE 79 79 31058 1 . VAL 80 80 31058 1 . GLY 81 81 31058 1 . LEU 82 82 31058 1 . SER 83 83 31058 1 . VAL 84 84 31058 1 . VAL 85 85 31058 1 . VAL 86 86 31058 1 . THR 87 87 31058 1 . VAL 88 88 31058 1 . ILE 89 89 31058 1 . VAL 90 90 31058 1 . LEU 91 91 31058 1 . GLN 92 92 31058 1 . TYR 93 93 31058 1 . HIS 94 94 31058 1 . HIS 95 95 31058 1 . HIS 96 96 31058 1 . ASP 97 97 31058 1 . PRO 98 98 31058 1 . ASP 99 99 31058 1 . GLY 100 100 31058 1 . GLY 101 101 31058 1 . LYS 102 102 31058 1 . MET 103 103 31058 1 . PRO 104 104 31058 1 . LYS 105 105 31058 1 . TRP 106 106 31058 1 . THR 107 107 31058 1 . ARG 108 108 31058 1 . VAL 109 109 31058 1 . ILE 110 110 31058 1 . LEU 111 111 31058 1 . LEU 112 112 31058 1 . ASN 113 113 31058 1 . TRP 114 114 31058 1 . CYS 115 115 31058 1 . ALA 116 116 31058 1 . TRP 117 117 31058 1 . PHE 118 118 31058 1 . LEU 119 119 31058 1 . ARG 120 120 31058 1 . MET 121 121 31058 1 . LYS 122 122 31058 1 . ARG 123 123 31058 1 . PRO 124 124 31058 1 . GLY 125 125 31058 1 . GLU 126 126 31058 1 . ASP 127 127 31058 1 . LYS 128 128 31058 1 . VAL 129 129 31058 1 . ARG 130 130 31058 1 . PRO 131 131 31058 1 . ALA 132 132 31058 1 . CYS 133 133 31058 1 . GLN 134 134 31058 1 . HIS 135 135 31058 1 . LYS 136 136 31058 1 . GLN 137 137 31058 1 . ARG 138 138 31058 1 . ARG 139 139 31058 1 . CYS 140 140 31058 1 . SER 141 141 31058 1 . LEU 142 142 31058 1 . ALA 143 143 31058 1 . SER 144 144 31058 1 . VAL 145 145 31058 1 . GLU 146 146 31058 1 . MET 147 147 31058 1 . SER 148 148 31058 1 . ALA 149 149 31058 1 . VAL 150 150 31058 1 . ALA 151 151 31058 1 . PRO 152 152 31058 1 . PRO 153 153 31058 1 . PRO 154 154 31058 1 . ALA 155 155 31058 1 . SER 156 156 31058 1 . ASN 157 157 31058 1 . GLY 158 158 31058 1 . ASN 159 159 31058 1 . LEU 160 160 31058 1 . LEU 161 161 31058 1 . TYR 162 162 31058 1 . ILE 163 163 31058 1 . GLY 164 164 31058 1 . PHE 165 165 31058 1 . ARG 166 166 31058 1 . GLY 167 167 31058 1 . LEU 168 168 31058 1 . ASP 169 169 31058 1 . GLY 170 170 31058 1 . VAL 171 171 31058 1 . HIS 172 172 31058 1 . CYS 173 173 31058 1 . VAL 174 174 31058 1 . PRO 175 175 31058 1 . THR 176 176 31058 1 . PRO 177 177 31058 1 . ASP 178 178 31058 1 . SER 179 179 31058 1 . GLY 180 180 31058 1 . VAL 181 181 31058 1 . VAL 182 182 31058 1 . CYS 183 183 31058 1 . GLY 184 184 31058 1 . ARG 185 185 31058 1 . MET 186 186 31058 1 . ALA 187 187 31058 1 . CYS 188 188 31058 1 . SER 189 189 31058 1 . PRO 190 190 31058 1 . THR 191 191 31058 1 . HIS 192 192 31058 1 . ASP 193 193 31058 1 . GLU 194 194 31058 1 . HIS 195 195 31058 1 . LEU 196 196 31058 1 . LEU 197 197 31058 1 . HIS 198 198 31058 1 . GLY 199 199 31058 1 . GLY 200 200 31058 1 . GLN 201 201 31058 1 . PRO 202 202 31058 1 . PRO 203 203 31058 1 . GLU 204 204 31058 1 . GLY 205 205 31058 1 . ASP 206 206 31058 1 . PRO 207 207 31058 1 . ASP 208 208 31058 1 . LEU 209 209 31058 1 . ALA 210 210 31058 1 . LYS 211 211 31058 1 . ILE 212 212 31058 1 . LEU 213 213 31058 1 . GLU 214 214 31058 1 . GLU 215 215 31058 1 . VAL 216 216 31058 1 . ARG 217 217 31058 1 . TYR 218 218 31058 1 . ILE 219 219 31058 1 . ALA 220 220 31058 1 . ASN 221 221 31058 1 . ARG 222 222 31058 1 . PHE 223 223 31058 1 . ARG 224 224 31058 1 . CYS 225 225 31058 1 . GLN 226 226 31058 1 . ASP 227 227 31058 1 . GLU 228 228 31058 1 . SER 229 229 31058 1 . GLU 230 230 31058 1 . ALA 231 231 31058 1 . VAL 232 232 31058 1 . CYS 233 233 31058 1 . SER 234 234 31058 1 . GLU 235 235 31058 1 . TRP 236 236 31058 1 . LYS 237 237 31058 1 . PHE 238 238 31058 1 . ALA 239 239 31058 1 . ALA 240 240 31058 1 . CYS 241 241 31058 1 . VAL 242 242 31058 1 . VAL 243 243 31058 1 . ASP 244 244 31058 1 . ARG 245 245 31058 1 . LEU 246 246 31058 1 . CYS 247 247 31058 1 . LEU 248 248 31058 1 . MET 249 249 31058 1 . ALA 250 250 31058 1 . PHE 251 251 31058 1 . SER 252 252 31058 1 . VAL 253 253 31058 1 . PHE 254 254 31058 1 . THR 255 255 31058 1 . ILE 256 256 31058 1 . ILE 257 257 31058 1 . CYS 258 258 31058 1 . THR 259 259 31058 1 . ILE 260 260 31058 1 . GLY 261 261 31058 1 . ILE 262 262 31058 1 . LEU 263 263 31058 1 . MET 264 264 31058 1 . SER 265 265 31058 1 . ALA 266 266 31058 1 . PRO 267 267 31058 1 . ASN 268 268 31058 1 . PHE 269 269 31058 1 . VAL 270 270 31058 1 . GLU 271 271 31058 1 . GLU 272 272 31058 1 stop_ save_ save_entity_IVM _Entity.Sf_category entity _Entity.Sf_framecode entity_IVM _Entity.Entry_ID 31058 _Entity.ID 2 _Entity.BMRB_code IVM _Entity.Name entity_IVM _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID IVM _Entity.Nonpolymer_comp_label $chem_comp_IVM _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 875.093 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ; (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside ; BMRB 31058 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID ; (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside ; BMRB 31058 2 IVM 'Three letter code' 31058 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 IVM $chem_comp_IVM 31058 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 31058 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'CHRNA7, NACHRA7' . 31058 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 31058 _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' . . 562 Escherichia coli 'Rosetta 2(DE3) pLysS' . . plasmid . . pTBSG1-TMD+ICD . . . 31058 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_IVM _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_IVM _Chem_comp.Entry_ID 31058 _Chem_comp.ID IVM _Chem_comp.Provenance PDB _Chem_comp.Name ; (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside ; _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code IVM _Chem_comp.PDB_code IVM _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code IVM _Chem_comp.Number_atoms_all 136 _Chem_comp.Number_atoms_nh 62 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1 ; _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms '22,23-DIHYDROAVERMECTIN B1A; IVERMECTIN' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C48 H74 O14' _Chem_comp.Formula_weight 875.093 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 3RHW _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID AZSNMRSAGSSBNP-XPNPUAGNSA-N InChIKey InChI 1.03 31058 IVM CCC(C)C1C(CCC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C SMILES 'OpenEye OEToolkits' 1.7.6 31058 IVM ; CC[C@H](C)[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C ; SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 31058 IVM ; CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]3C[C@@H](C\C=C(/C)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C6/CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2 ; SMILES_CANONICAL CACTVS 3.370 31058 IVM ; CC[CH](C)[CH]1O[C]2(CC[CH]1C)C[CH]3C[CH](CC=C(C)[CH](O[CH]4C[CH](OC)[CH](O[CH]5C[CH](OC)[CH](O)[CH](C)O5)[CH](C)O4)[CH](C)C=CC=C6CO[CH]7[CH](O)C(=C[CH](C(=O)O3)[C]67O)C)O2 ; SMILES CACTVS 3.370 31058 IVM ; InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1 ; InChI InChI 1.03 31058 IVM O=C5OC2CC(OC1(OC(C(C)CC)C(C)CC1)C2)CC=C(C)C(OC4OC(C)C(OC3OC(C)C(O)C(OC)C3)C(OC)C4)C(C=CC=C6COC7C(O)C(=CC5C67O)C)C SMILES ACDLabs 12.01 31058 IVM stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID ; (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside ; 'SYSTEMATIC NAME' ACDLabs 12.01 31058 IVM stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 C1 C1 C1 . C . . N 0 . . . 1 N N . . . . 37.095 . 100.732 . 33.006 . -0.651 4.439 3.474 1 . 31058 IVM O1 O1 O1 O1 . O . . N 0 . . . 1 N N . . . . 33.640 . 102.108 . 33.021 . -3.924 3.701 0.711 2 . 31058 IVM C2 C2 C2 C2 . C . . N 0 . . . 1 N N . . . . 36.300 . 101.273 . 34.173 . -1.439 4.096 2.209 3 . 31058 IVM O2 O2 O2 O2 . O . . N 0 . . . 1 N N . . . . 36.325 . 95.342 . 31.579 . 1.819 0.401 -1.290 4 . 31058 IVM C3 C3 C3 C3 . C . . S 0 . . . 1 N N . . . . 35.813 . 102.688 . 33.885 . -2.473 5.190 1.939 5 . 31058 IVM O3 O3 O3 O3 . O . . N 0 . . . 1 N N . . . . 39.837 . 95.628 . 33.983 . 4.440 2.033 1.586 6 . 31058 IVM C4 C4 C4 C4 . C . . N 0 . . . 1 N N . . . . 35.122 . 103.297 . 35.099 . -3.506 5.205 3.068 7 . 31058 IVM O4 O4 O4 O4 . O . . N 0 . . . 1 N N . . . . 39.740 . 92.880 . 33.176 . 5.888 -0.124 0.389 8 . 31058 IVM C5 C5 C5 C5 . C . . R 0 . . . 1 N N . . . . 34.893 . 102.696 . 32.670 . -3.175 4.912 0.609 9 . 31058 IVM O5 O5 O5 O5 . O . . N 0 . . . 1 N N . . . . 42.507 . 93.737 . 36.418 . 8.653 -2.644 2.339 10 . 31058 IVM C6 C6 C6 C6 . C . . R 0 . . . 1 N N . . . . 32.825 . 101.868 . 31.878 . -4.613 3.331 -0.484 11 . 31058 IVM O6 O6 O6 O6 . O . . N 0 . . . 1 N N . . . . 40.861 . 91.443 . 37.176 . 9.708 -2.266 -0.292 12 . 31058 IVM C7 C7 C7 C7 . C . . N 0 . . . 1 N N . . . . 32.518 . 103.181 . 31.169 . -5.608 4.427 -0.862 13 . 31058 IVM O7 O7 O7 O7 . O . . N 0 . . . 1 N N . . . . 41.184 . 91.091 . 33.554 . 7.980 0.908 0.315 14 . 31058 IVM C8 C8 C8 C8 . C . . N 0 . . . 1 N N . . . . 33.216 . 104.374 . 31.816 . -4.872 5.761 -1.013 15 . 31058 IVM O8 O8 O8 O8 . O . . N 0 . . . 1 N N . . . . 38.156 . 94.557 . 30.363 . 3.784 1.031 -2.380 16 . 31058 IVM C9 C9 C9 C9 . C . . S 0 . . . 1 N N . . . . 34.683 . 104.101 . 32.116 . -4.113 6.075 0.275 17 . 31058 IVM O9 O9 O9 O9 . O . . N 0 . . . 1 N N . . . . 28.625 . 94.657 . 35.019 . -3.999 -6.033 -0.121 18 . 31058 IVM C10 C10 C10 C10 . C . . N 0 . . . 1 N N . . . . 35.535 . 104.342 . 30.877 . -3.294 7.354 0.086 19 . 31058 IVM O10 O10 O10 O10 . O . . N 0 . . . 1 N N . . . . 26.605 . 95.781 . 35.856 . -6.296 -4.982 -1.000 20 . 31058 IVM C11 C11 C11 C11 . C . . N 0 . . . 1 N N . . . . 31.529 . 101.213 . 32.324 . -5.383 2.029 -0.249 21 . 31058 IVM O11 O11 O11 O11 . O . . N 0 . . . 1 N N . . . . 31.079 . 99.305 . 35.437 . -3.383 -1.341 0.973 22 . 31058 IVM C12 C12 C12 C12 . C . . S 0 . . . 1 N N . . . . 31.769 . 99.852 . 32.946 . -4.407 0.880 0.018 23 . 31058 IVM O12 O12 O12 O12 . O . . N 0 . . . 1 N N . . . . 30.498 . 99.267 . 33.204 . -5.153 -0.365 0.098 24 . 31058 IVM C13 C13 C13 C13 . C . . N 0 . . . 1 N N . . . . 32.504 . 98.998 . 31.931 . -3.407 0.781 -1.130 25 . 31058 IVM O13 O13 O13 O13 . O . . N 0 . . . 1 N N . . . . 30.935 . 96.895 . 36.496 . -3.769 -3.570 2.245 26 . 31058 IVM C14 C14 C14 C14 . C . . R 0 . . . 1 N N . . . . 33.783 . 99.669 . 31.448 . -2.702 2.125 -1.320 27 . 31058 IVM O14 O14 O14 O14 . O . . N 0 . . . 1 N N . . . . 33.562 . 101.012 . 31.003 . -3.677 3.147 -1.544 28 . 31058 IVM C15 C15 C15 C15 . C . . N 0 . . . 1 N N . . . . 34.296 . 98.840 . 30.278 . -1.788 2.048 -2.544 29 . 31058 IVM C16 C16 C16 C16 . C . . N 0 . . . 1 N N . . . . 34.839 . 97.535 . 30.804 . -0.467 1.428 -2.181 30 . 31058 IVM C17 C17 C17 C17 . C . . N 0 . . . 1 N N . . . . 34.754 . 96.409 . 30.083 . -0.090 0.305 -2.741 31 . 31058 IVM C18 C18 C18 C18 . C . . N 0 . . . 1 N N . . . . 34.098 . 96.430 . 28.736 . -0.996 -0.387 -3.728 32 . 31058 IVM C19 C19 C19 C19 . C . . S 0 . . . 1 N N . . . . 35.293 . 95.117 . 30.620 . 1.246 -0.303 -2.394 33 . 31058 IVM C20 C20 C20 C20 . C . . R 0 . . . 1 N N . . . . 37.567 . 95.701 . 30.978 . 2.640 1.508 -1.668 34 . 31058 IVM C21 C21 C21 C21 . C . . N 0 . . . 1 N N . . . . 38.501 . 96.240 . 32.061 . 3.097 2.257 -0.414 35 . 31058 IVM C22 C22 C22 C22 . C . . S 0 . . . 1 N N . . . . 38.889 . 95.137 . 33.042 . 3.948 1.320 0.449 36 . 31058 IVM C23 C23 C23 C23 . C . . N 0 . . . 1 N N . . . . 39.268 . 96.636 . 34.813 . 3.577 1.978 2.724 37 . 31058 IVM C24 C24 C24 C24 . C . . S 0 . . . 1 N N . . . . 39.470 . 93.956 . 32.282 . 5.127 0.808 -0.384 38 . 31058 IVM C25 C25 C25 C25 . C . . S 0 . . . 1 N N . . . . 41.108 . 92.465 . 33.163 . 6.920 0.477 1.172 39 . 31058 IVM C26 C26 C26 C26 . C . . N 0 . . . 1 N N . . . . 41.941 . 93.331 . 34.102 . 7.461 -0.545 2.175 40 . 31058 IVM C27 C27 C27 C27 . C . . S 0 . . . 1 N N . . . . 41.546 . 93.114 . 35.559 . 8.081 -1.719 1.412 41 . 31058 IVM C28 C28 C28 C28 . C . . N 0 . . . 1 N N . . . . 42.446 . 95.164 . 36.400 . 7.750 -3.660 2.779 42 . 31058 IVM C29 C29 C29 C29 . C . . S 0 . . . 1 N N . . . . 41.463 . 91.624 . 35.888 . 9.173 -1.188 0.478 43 . 31058 IVM C30 C30 C30 C30 . C . . S 0 . . . 1 N N . . . . 40.631 . 90.880 . 34.854 . 8.566 -0.141 -0.460 44 . 31058 IVM C31 C31 C31 C31 . C . . N 0 . . . 1 N N . . . . 40.565 . 89.387 . 35.166 . 9.663 0.439 -1.355 45 . 31058 IVM C32 C32 C32 C32 . C . . S 0 . . . 1 N N . . . . 38.438 . 93.490 . 31.263 . 4.592 0.114 -1.639 46 . 31058 IVM C33 C33 C33 C33 . C . . N 0 . . . 1 N N . . . . 38.948 . 92.295 . 30.465 . 5.765 -0.348 -2.506 47 . 31058 IVM C34 C34 C34 C34 . C . . S 0 . . . 1 N N . . . . 34.153 . 94.374 . 31.307 . 1.042 -1.774 -2.015 48 . 31058 IVM C35 C35 C35 C35 . C . . N 0 . . . 1 N N . . . . 34.684 . 93.118 . 31.984 . 2.290 -2.300 -1.304 49 . 31058 IVM C36 C36 C36 C36 . C . . N 0 . . . 1 N N . . . . 33.524 . 95.272 . 32.350 . -0.142 -1.869 -1.093 50 . 31058 IVM C37 C37 C37 C37 . C . . N 0 . . . 1 N N . . . . 32.296 . 95.051 . 32.818 . -0.856 -2.985 -0.973 51 . 31058 IVM C38 C38 C38 C38 . C . . N 0 . . . 1 N N . . . . 31.747 . 95.954 . 33.826 . -2.013 -2.941 -0.067 52 . 31058 IVM C39 C39 C39 C39 . C . . N 0 . . . 1 N N . . . . 30.591 . 95.678 . 34.444 . -2.895 -3.924 0.027 53 . 31058 IVM C40 C40 C40 C40 . C . . N 0 . . . 1 N N . . . . 29.765 . 94.450 . 34.178 . -2.926 -5.262 -0.657 54 . 31058 IVM C41 C41 C41 C41 . C . . R 0 . . . 1 N N . . . . 28.963 . 95.567 . 36.082 . -4.752 -5.273 0.825 55 . 31058 IVM C42 C42 C42 C42 . C . . R 0 . . . 1 N N . . . . 27.692 . 96.147 . 36.700 . -6.217 -5.221 0.407 56 . 31058 IVM C43 C43 C43 C43 . C . . N 0 . . . 1 N N . . . . 27.686 . 97.640 . 36.799 . -6.949 -4.123 1.138 57 . 31058 IVM C44 C44 C44 C44 . C . . N 0 . . . 1 N N . . . . 28.516 . 98.392 . 36.071 . -6.404 -2.915 1.118 58 . 31058 IVM C45 C45 C45 C45 . C . . R 0 . . . 1 N N . . . . 29.324 . 97.802 . 34.950 . -5.099 -2.820 0.359 59 . 31058 IVM C46 C46 C46 C46 . C . . N 0 . . . 1 N N . . . . 30.360 . 98.817 . 34.579 . -4.488 -1.456 0.497 60 . 31058 IVM C47 C47 C47 C47 . C . . S 0 . . . 1 N N . . . . 29.977 . 96.544 . 35.497 . -4.136 -3.879 0.902 61 . 31058 IVM C48 C48 C48 C48 . C . . N 0 . . . 1 N N . . . . 26.724 . 98.293 . 37.746 . -8.245 -4.388 1.860 62 . 31058 IVM H1 H1 H1 H1 . H . . N 0 . . . 1 N N . . . . 37.436 . 99.712 . 33.235 . -0.142 5.394 3.338 63 . 31058 IVM H1A H1A H1A H1A . H . . N 0 . . . 1 N N . . . . 36.461 . 100.713 . 32.108 . -1.334 4.509 4.320 64 . 31058 IVM H1B H1B H1B H1B . H . . N 0 . . . 1 N N . . . . 37.967 . 101.378 . 32.826 . 0.086 3.659 3.666 65 . 31058 IVM H2 H2 H2 H2 . H . . N 0 . . . 1 N N . . . . 35.432 . 100.622 . 34.351 . -0.755 4.026 1.363 66 . 31058 IVM H2A H2A H2A H2A . H . . N 0 . . . 1 N N . . . . 36.938 . 101.286 . 35.069 . -1.947 3.141 2.345 67 . 31058 IVM H3 H3 H3 H3 . H . . N 0 . . . 1 N N . . . . 36.691 . 103.307 . 33.649 . -1.974 6.158 1.891 68 . 31058 IVM H4 H4 H4 H4 . H . . N 0 . . . 1 N N . . . . 34.784 . 104.315 . 34.857 . -4.243 5.985 2.876 69 . 31058 IVM H4A H4A H4A H4A . H . . N 0 . . . 1 N N . . . . 34.255 . 102.679 . 35.375 . -4.005 4.237 3.115 70 . 31058 IVM H4B H4B H4B H4B . H . . N 0 . . . 1 N N . . . . 35.828 . 103.336 . 35.942 . -3.006 5.403 4.016 71 . 31058 IVM H5 H5 H5 H5 . H . . N 0 . . . 1 N N . . . . 35.367 . 102.091 . 31.883 . -2.430 4.812 -0.181 72 . 31058 IVM HO6 HO6 HO6 HO6 . H . . N 0 . . . 1 N N . . . . 40.812 . 90.515 . 37.376 . 10.406 -2.001 -0.907 73 . 31058 IVM H7 H7 H7 H7 . H . . N 0 . . . 1 N N . . . . 32.850 . 103.103 . 30.123 . -6.091 4.170 -1.805 74 . 31058 IVM H7A H7A H7A H7A . H . . N 0 . . . 1 N N . . . . 31.432 . 103.351 . 31.197 . -6.364 4.516 -0.081 75 . 31058 IVM H8 H8 H8 H8 . H . . N 0 . . . 1 N N . . . . 33.150 . 105.234 . 31.133 . -4.168 5.695 -1.843 76 . 31058 IVM H8A H8A H8A H8A . H . . N 0 . . . 1 N N . . . . 32.702 . 104.614 . 32.759 . -5.594 6.554 -1.212 77 . 31058 IVM H9 H9 H9 H9 . H . . N 0 . . . 1 N N . . . . 35.005 . 104.816 . 32.888 . -4.823 6.215 1.091 78 . 31058 IVM H10 H10 H10 H10 . H . . N 0 . . . 1 N N . . . . 35.360 . 105.362 . 30.504 . -3.962 8.181 -0.152 79 . 31058 IVM H10A H10A H10A H10A . H . . N 0 . . . 0 N N . . . . 36.598 . 104.223 . 31.134 . -2.753 7.577 1.006 80 . 31058 IVM H10B H10B H10B H10B . H . . N 0 . . . 0 N N . . . . 35.263 . 103.615 . 30.098 . -2.584 7.213 -0.728 81 . 31058 IVM HO10 HO10 HO10 HO10 . H . . N 0 . . . 0 N N . . . . 25.796 . 96.127 . 36.213 . -7.200 -4.936 -1.341 82 . 31058 IVM H11 H11 H11 H11 . H . . N 0 . . . 1 N N . . . . 31.039 . 101.862 . 33.065 . -6.043 2.149 0.610 83 . 31058 IVM H11A H11A H11A H11A . H . . N 0 . . . 0 N N . . . . 30.872 . 101.094 . 31.450 . -5.980 1.798 -1.132 84 . 31058 IVM H12 H12 H12 H12 . H . . N 0 . . . 1 N N . . . . 32.365 . 99.952 . 33.865 . -3.886 1.051 0.956 85 . 31058 IVM H13 H13 H13 H13 . H . . N 0 . . . 1 N N . . . . 32.761 . 98.035 . 32.396 . -2.667 0.013 -0.902 86 . 31058 IVM H13A H13A H13A H13A . H . . N 0 . . . 0 N N . . . . 31.845 . 98.825 . 31.068 . -3.932 0.516 -2.048 87 . 31058 IVM HO13 HO13 HO13 HO13 . H . . N 0 . . . 0 N N . . . . 31.209 . 97.796 . 36.370 . -3.342 -2.708 2.347 88 . 31058 IVM H14 H14 H14 H14 . H . . N 0 . . . 1 N N . . . . 34.528 . 99.651 . 32.257 . -2.120 2.361 -0.433 89 . 31058 IVM H15 H15 H15 H15 . H . . N 0 . . . 1 N N . . . . 33.472 . 98.641 . 29.577 . -2.268 1.445 -3.315 90 . 31058 IVM H15A H15A H15A H15A . H . . N 0 . . . 0 N N . . . . 35.095 . 99.390 . 29.758 . -1.618 3.054 -2.930 91 . 31058 IVM H16 H16 H16 H16 . H . . N 0 . . . 1 N N . . . . 35.304 . 97.508 . 31.778 . 0.178 1.904 -1.455 92 . 31058 IVM H18 H18 H18 H18 . H . . N 0 . . . 1 N N . . . . 34.123 . 95.421 . 28.300 . -1.143 0.254 -4.597 93 . 31058 IVM H18A H18A H18A H18A . H . . N 0 . . . 0 N N . . . . 33.053 . 96.757 . 28.842 . -0.541 -1.327 -4.042 94 . 31058 IVM H18B H18B H18B H18B . H . . N 0 . . . 0 N N . . . . 34.636 . 97.128 . 28.077 . -1.958 -0.588 -3.258 95 . 31058 IVM H19 H19 H19 H19 . H . . N 0 . . . 1 N N . . . . 35.670 . 94.505 . 29.787 . 1.912 -0.235 -3.254 96 . 31058 IVM H20 H20 H20 H20 . H . . N 0 . . . 1 N N . . . . 37.407 . 96.490 . 30.228 . 2.069 2.182 -2.307 97 . 31058 IVM H21 H21 H21 H21 . H . . N 0 . . . 1 N N . . . . 39.411 . 96.637 . 31.587 . 3.689 3.124 -0.703 98 . 31058 IVM H21A H21A H21A H21A . H . . N 0 . . . 0 N N . . . . 37.991 . 97.046 . 32.608 . 2.225 2.583 0.154 99 . 31058 IVM H22 H22 H22 H22 . H . . N 0 . . . 1 N N . . . . 37.982 . 94.803 . 33.566 . 3.341 0.478 0.781 100 . 31058 IVM H23 H23 H23 H23 . H . . N 0 . . . 1 N N . . . . 40.024 . 96.994 . 35.527 . 4.021 2.543 3.544 101 . 31058 IVM H23A H23A H23A H23A . H . . N 0 . . . 0 N N . . . . 38.927 . 97.475 . 34.189 . 2.609 2.410 2.467 102 . 31058 IVM H23B H23B H23B H23B . H . . N 0 . . . 0 N N . . . . 38.413 . 96.218 . 35.364 . 3.442 0.940 3.029 103 . 31058 IVM H24 H24 H24 H24 . H . . N 0 . . . 1 N N . . . . 40.385 . 94.270 . 31.759 . 5.761 1.646 -0.671 104 . 31058 IVM H25 H25 H25 H25 . H . . N 0 . . . 1 N N . . . . 41.513 . 92.577 . 32.146 . 6.516 1.335 1.709 105 . 31058 IVM H26 H26 H26 H26 . H . . N 0 . . . 1 N N . . . . 43.003 . 93.074 . 33.977 . 8.221 -0.075 2.800 106 . 31058 IVM H26A H26A H26A H26A . H . . N 0 . . . 0 N N . . . . 41.787 . 94.389 . 33.844 . 6.646 -0.907 2.801 107 . 31058 IVM H27 H27 H27 H27 . H . . N 0 . . . 1 N N . . . . 40.555 . 93.563 . 35.723 . 7.310 -2.221 0.826 108 . 31058 IVM H28 H28 H28 H28 . H . . N 0 . . . 1 N N . . . . 43.208 . 95.573 . 37.079 . 6.895 -3.197 3.272 109 . 31058 IVM H28A H28A H28A H28A . H . . N 0 . . . 0 N N . . . . 42.634 . 95.526 . 35.378 . 7.406 -4.237 1.921 110 . 31058 IVM H28B H28B H28B H28B . H . . N 0 . . . 0 N N . . . . 41.449 . 95.492 . 36.728 . 8.260 -4.321 3.480 111 . 31058 IVM H29 H29 H29 H29 . H . . N 0 . . . 1 N N . . . . 42.481 . 91.207 . 35.888 . 9.967 -0.732 1.069 112 . 31058 IVM H30 H30 H30 H30 . H . . N 0 . . . 1 N N . . . . 39.607 . 91.281 . 34.885 . 7.800 -0.607 -1.079 113 . 31058 IVM H31 H31 H31 H31 . H . . N 0 . . . 1 N N . . . . 40.138 . 89.240 . 36.169 . 10.402 0.950 -0.739 114 . 31058 IVM H31A H31A H31A H31A . H . . N 0 . . . 0 N N . . . . 39.931 . 88.884 . 34.420 . 10.145 -0.368 -1.907 115 . 31058 IVM H31B H31B H31B H31B . H . . N 0 . . . 0 N N . . . . 41.578 . 88.961 . 35.133 . 9.222 1.146 -2.057 116 . 31058 IVM H32 H32 H32 H32 . H . . N 0 . . . 1 N N . . . . 37.523 . 93.194 . 31.797 . 3.991 -0.748 -1.350 117 . 31058 IVM H33 H33 H33 H33 . H . . N 0 . . . 1 N N . . . . 39.170 . 91.463 . 31.150 . 6.427 0.496 -2.701 118 . 31058 IVM H33A H33A H33A H33A . H . . N 0 . . . 0 N N . . . . 38.179 . 91.981 . 29.744 . 6.316 -1.130 -1.984 119 . 31058 IVM H33B H33B H33B H33B . H . . N 0 . . . 0 N N . . . . 39.863 . 92.579 . 29.925 . 5.386 -0.739 -3.451 120 . 31058 IVM H34 H34 H34 H34 . H . . N 0 . . . 1 N N . . . . 33.397 . 94.094 . 30.559 . 0.857 -2.362 -2.914 121 . 31058 IVM H35 H35 H35 H35 . H . . N 0 . . . 1 N N . . . . 33.855 . 92.588 . 32.477 . 2.468 -1.715 -0.402 122 . 31058 IVM H35A H35A H35A H35A . H . . N 0 . . . 0 N N . . . . 35.142 . 92.461 . 31.230 . 2.142 -3.346 -1.036 123 . 31058 IVM H35B H35B H35B H35B . H . . N 0 . . . 0 N N . . . . 35.439 . 93.397 . 32.734 . 3.150 -2.214 -1.969 124 . 31058 IVM H36 H36 H36 H36 . H . . N 0 . . . 1 N N . . . . 34.085 . 96.115 . 32.725 . -0.428 -1.003 -0.503 125 . 31058 IVM H37 H37 H37 H37 . H . . N 0 . . . 1 N N . . . . 31.715 . 94.216 . 32.457 . -0.598 -3.879 -1.499 126 . 31058 IVM H38 H38 H38 H38 . H . . N 0 . . . 1 N N . . . . 32.281 . 96.858 . 34.077 . -2.145 -2.059 0.563 127 . 31058 IVM H40 H40 H40 H40 . H . . N 0 . . . 1 N N . . . . 30.308 . 93.536 . 34.462 . -1.983 -5.781 -0.487 128 . 31058 IVM H40A H40A H40A H40A . H . . N 0 . . . 0 N N . . . . 29.472 . 94.389 . 33.119 . -3.076 -5.122 -1.727 129 . 31058 IVM H41 H41 H41 H41 . H . . N 0 . . . 1 N N . . . . 29.477 . 94.999 . 36.871 . -4.683 -5.750 1.805 130 . 31058 IVM H42 H42 H42 H42 . H . . N 0 . . . 1 N N . . . . 27.557 . 95.717 . 37.703 . -6.688 -6.178 0.634 131 . 31058 IVM H44 H44 H44 H44 . H . . N 0 . . . 1 N N . . . . 28.608 . 99.445 . 36.293 . -6.856 -2.065 1.606 132 . 31058 IVM H45 H45 H45 H45 . H . . N 0 . . . 1 N N . . . . 28.683 . 97.562 . 34.089 . -5.280 -3.033 -0.699 133 . 31058 IVM H48 H48 H48 H48 . H . . N 0 . . . 1 N N . . . . 26.847 . 99.385 . 37.699 . -8.035 -4.674 2.891 134 . 31058 IVM H48A H48A H48A H48A . H . . N 0 . . . 0 N N . . . . 25.695 . 98.027 . 37.464 . -8.857 -3.487 1.851 135 . 31058 IVM H48B H48B H48B H48B . H . . N 0 . . . 0 N N . . . . 26.925 . 97.945 . 38.770 . -8.781 -5.196 1.361 136 . 31058 IVM stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C1 C2 N N 1 . 31058 IVM 2 . SING C1 H1 N N 2 . 31058 IVM 3 . SING C1 H1A N N 3 . 31058 IVM 4 . SING C1 H1B N N 4 . 31058 IVM 5 . SING C6 O1 N N 5 . 31058 IVM 6 . SING C5 O1 N N 6 . 31058 IVM 7 . SING C3 C2 N N 7 . 31058 IVM 8 . SING C2 H2 N N 8 . 31058 IVM 9 . SING C2 H2A N N 9 . 31058 IVM 10 . SING C19 O2 N N 10 . 31058 IVM 11 . SING C20 O2 N N 11 . 31058 IVM 12 . SING C5 C3 N N 12 . 31058 IVM 13 . SING C3 C4 N N 13 . 31058 IVM 14 . SING C3 H3 N N 14 . 31058 IVM 15 . SING C22 O3 N N 15 . 31058 IVM 16 . SING O3 C23 N N 16 . 31058 IVM 17 . SING C4 H4 N N 17 . 31058 IVM 18 . SING C4 H4A N N 18 . 31058 IVM 19 . SING C4 H4B N N 19 . 31058 IVM 20 . SING C24 O4 N N 20 . 31058 IVM 21 . SING C25 O4 N N 21 . 31058 IVM 22 . SING C9 C5 N N 22 . 31058 IVM 23 . SING C5 H5 N N 23 . 31058 IVM 24 . SING C27 O5 N N 24 . 31058 IVM 25 . SING C28 O5 N N 25 . 31058 IVM 26 . SING O14 C6 N N 26 . 31058 IVM 27 . SING C7 C6 N N 27 . 31058 IVM 28 . SING C6 C11 N N 28 . 31058 IVM 29 . SING C29 O6 N N 29 . 31058 IVM 30 . SING O6 HO6 N N 30 . 31058 IVM 31 . SING C7 C8 N N 31 . 31058 IVM 32 . SING C7 H7 N N 32 . 31058 IVM 33 . SING C7 H7A N N 33 . 31058 IVM 34 . SING C25 O7 N N 34 . 31058 IVM 35 . SING O7 C30 N N 35 . 31058 IVM 36 . SING C8 C9 N N 36 . 31058 IVM 37 . SING C8 H8 N N 37 . 31058 IVM 38 . SING C8 H8A N N 38 . 31058 IVM 39 . SING O8 C20 N N 39 . 31058 IVM 40 . SING O8 C32 N N 40 . 31058 IVM 41 . SING C10 C9 N N 41 . 31058 IVM 42 . SING C9 H9 N N 42 . 31058 IVM 43 . SING C40 O9 N N 43 . 31058 IVM 44 . SING O9 C41 N N 44 . 31058 IVM 45 . SING C10 H10 N N 45 . 31058 IVM 46 . SING C10 H10A N N 46 . 31058 IVM 47 . SING C10 H10B N N 47 . 31058 IVM 48 . SING O10 C42 N N 48 . 31058 IVM 49 . SING O10 HO10 N N 49 . 31058 IVM 50 . SING C11 C12 N N 50 . 31058 IVM 51 . SING C11 H11 N N 51 . 31058 IVM 52 . SING C11 H11A N N 52 . 31058 IVM 53 . DOUB C46 O11 N N 53 . 31058 IVM 54 . SING C13 C12 N N 54 . 31058 IVM 55 . SING C12 O12 N N 55 . 31058 IVM 56 . SING C12 H12 N N 56 . 31058 IVM 57 . SING O12 C46 N N 57 . 31058 IVM 58 . SING C14 C13 N N 58 . 31058 IVM 59 . SING C13 H13 N N 59 . 31058 IVM 60 . SING C13 H13A N N 60 . 31058 IVM 61 . SING C47 O13 N N 61 . 31058 IVM 62 . SING O13 HO13 N N 62 . 31058 IVM 63 . SING C15 C14 N N 63 . 31058 IVM 64 . SING O14 C14 N N 64 . 31058 IVM 65 . SING C14 H14 N N 65 . 31058 IVM 66 . SING C15 C16 N N 66 . 31058 IVM 67 . SING C15 H15 N N 67 . 31058 IVM 68 . SING C15 H15A N N 68 . 31058 IVM 69 . DOUB C17 C16 N E 69 . 31058 IVM 70 . SING C16 H16 N N 70 . 31058 IVM 71 . SING C18 C17 N N 71 . 31058 IVM 72 . SING C17 C19 N N 72 . 31058 IVM 73 . SING C18 H18 N N 73 . 31058 IVM 74 . SING C18 H18A N N 74 . 31058 IVM 75 . SING C18 H18B N N 75 . 31058 IVM 76 . SING C19 C34 N N 76 . 31058 IVM 77 . SING C19 H19 N N 77 . 31058 IVM 78 . SING C20 C21 N N 78 . 31058 IVM 79 . SING C20 H20 N N 79 . 31058 IVM 80 . SING C21 C22 N N 80 . 31058 IVM 81 . SING C21 H21 N N 81 . 31058 IVM 82 . SING C21 H21A N N 82 . 31058 IVM 83 . SING C24 C22 N N 83 . 31058 IVM 84 . SING C22 H22 N N 84 . 31058 IVM 85 . SING C23 H23 N N 85 . 31058 IVM 86 . SING C23 H23A N N 86 . 31058 IVM 87 . SING C23 H23B N N 87 . 31058 IVM 88 . SING C32 C24 N N 88 . 31058 IVM 89 . SING C24 H24 N N 89 . 31058 IVM 90 . SING C25 C26 N N 90 . 31058 IVM 91 . SING C25 H25 N N 91 . 31058 IVM 92 . SING C26 C27 N N 92 . 31058 IVM 93 . SING C26 H26 N N 93 . 31058 IVM 94 . SING C26 H26A N N 94 . 31058 IVM 95 . SING C27 C29 N N 95 . 31058 IVM 96 . SING C27 H27 N N 96 . 31058 IVM 97 . SING C28 H28 N N 97 . 31058 IVM 98 . SING C28 H28A N N 98 . 31058 IVM 99 . SING C28 H28B N N 99 . 31058 IVM 100 . SING C30 C29 N N 100 . 31058 IVM 101 . SING C29 H29 N N 101 . 31058 IVM 102 . SING C30 C31 N N 102 . 31058 IVM 103 . SING C30 H30 N N 103 . 31058 IVM 104 . SING C31 H31 N N 104 . 31058 IVM 105 . SING C31 H31A N N 105 . 31058 IVM 106 . SING C31 H31B N N 106 . 31058 IVM 107 . SING C33 C32 N N 107 . 31058 IVM 108 . SING C32 H32 N N 108 . 31058 IVM 109 . SING C33 H33 N N 109 . 31058 IVM 110 . SING C33 H33A N N 110 . 31058 IVM 111 . SING C33 H33B N N 111 . 31058 IVM 112 . SING C34 C35 N N 112 . 31058 IVM 113 . SING C34 C36 N N 113 . 31058 IVM 114 . SING C34 H34 N N 114 . 31058 IVM 115 . SING C35 H35 N N 115 . 31058 IVM 116 . SING C35 H35A N N 116 . 31058 IVM 117 . SING C35 H35B N N 117 . 31058 IVM 118 . DOUB C36 C37 N E 118 . 31058 IVM 119 . SING C36 H36 N N 119 . 31058 IVM 120 . SING C37 C38 N N 120 . 31058 IVM 121 . SING C37 H37 N N 121 . 31058 IVM 122 . DOUB C38 C39 N E 122 . 31058 IVM 123 . SING C38 H38 N N 123 . 31058 IVM 124 . SING C40 C39 N N 124 . 31058 IVM 125 . SING C39 C47 N N 125 . 31058 IVM 126 . SING C40 H40 N N 126 . 31058 IVM 127 . SING C40 H40A N N 127 . 31058 IVM 128 . SING C47 C41 N N 128 . 31058 IVM 129 . SING C41 C42 N N 129 . 31058 IVM 130 . SING C41 H41 N N 130 . 31058 IVM 131 . SING C42 C43 N N 131 . 31058 IVM 132 . SING C42 H42 N N 132 . 31058 IVM 133 . DOUB C44 C43 N N 133 . 31058 IVM 134 . SING C43 C48 N N 134 . 31058 IVM 135 . SING C45 C44 N N 135 . 31058 IVM 136 . SING C44 H44 N N 136 . 31058 IVM 137 . SING C46 C45 N N 137 . 31058 IVM 138 . SING C45 C47 N N 138 . 31058 IVM 139 . SING C45 H45 N N 139 . 31058 IVM 140 . SING C48 H48 N N 140 . 31058 IVM 141 . SING C48 H48A N N 141 . 31058 IVM 142 . SING C48 H48B N N 142 . 31058 IVM stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31058 _Sample.ID 1 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.25 mM [U-15N] alpha7nAChR C317 TMD+ICD, 5 mM sodium acetate, 35 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'alpha7nAChR C317 TMD+ICD' [U-15N] . . 1 $entity_1 . . 0.25 . . mM 0.01 . . . 31058 1 2 'sodium acetate' 'natural abundance' . . . . . . 5 . . mM . . . . 31058 1 3 LDAO 'natural abundance' . . . . . . 35 . . mM . . . . 31058 1 4 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 31058 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 31058 1 6 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 31058 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 31058 _Sample.ID 2 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.25 mM [U-15N] alpha7nAChR C317 TMD+ICD, 5 mM sodium acetate, 35 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 30 uM ivermectin, 0.1 % DMSO, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'alpha7nAChR C317 TMD+ICD' [U-15N] . . 1 $entity_1 . . 0.25 . . mM 0.01 . . . 31058 2 2 'sodium acetate' 'natural abundance' . . . . . . 5 . . mM . . . . 31058 2 3 LDAO 'natural abundance' . . . . . . 35 . . mM . . . . 31058 2 4 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 31058 2 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 31058 2 6 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 31058 2 7 ivermectin 'natural abundance' . . . . . . 30 . . uM . . . . 31058 2 8 DMSO 'natural abundance' . . . . . . 0.1 . . % . . . . 31058 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 31058 _Sample.ID 3 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.25 mM [U-15N] alpha7nAChR C317 TMD+ICD, 5 mM sodium acetate, 35 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 100 uM ivermectin, 0.3 % DMSO, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'alpha7nAChR C317 TMD+ICD' [U-15N] . . 1 $entity_1 . . 0.25 . . mM 0.01 . . . 31058 3 2 'sodium acetate' 'natural abundance' . . . . . . 5 . . mM . . . . 31058 3 3 LDAO 'natural abundance' . . . . . . 35 . . mM . . . . 31058 3 4 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 31058 3 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 31058 3 6 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 31058 3 7 ivermectin 'natural abundance' . . . . . . 100 . . uM . . . . 31058 3 8 DMSO 'natural abundance' . . . . . . 0.3 . . % . . . . 31058 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 31058 _Sample.ID 4 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.25 mM [U-15N] alpha7nAChR C317 TMD+ICD, 5 mM sodium acetate, 35 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 250 uM ivermectin, 0.55 % DMSO, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'alpha7nAChR C317 TMD+ICD' [U-15N] . . 1 $entity_1 . . 0.25 . . mM 0.01 . . . 31058 4 2 'sodium acetate' 'natural abundance' . . . . . . 5 . . mM . . . . 31058 4 3 LDAO 'natural abundance' . . . . . . 35 . . mM . . . . 31058 4 4 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 31058 4 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 31058 4 6 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 31058 4 7 ivermectin 'natural abundance' . . . . . . 250 . . uM . . . . 31058 4 8 DMSO 'natural abundance' . . . . . . 0.55 . . % . . . . 31058 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 31058 _Sample.ID 5 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.25 mM [U-15N] alpha7nAChR C317 TMD+ICD, 5 mM sodium acetate, 35 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 500 uM ivermectin, 0.95 % DMSO, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'alpha7nAChR C317 TMD+ICD' [U-15N] . . 1 $entity_1 . . 0.25 . . mM 0.01 . . . 31058 5 2 'sodium acetate' 'natural abundance' . . . . . . 5 . . mM . . . . 31058 5 3 LDAO 'natural abundance' . . . . . . 35 . . mM . . . . 31058 5 4 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 31058 5 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 31058 5 6 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 31058 5 7 ivermectin 'natural abundance' . . . . . . 500 . . uM . . . . 31058 5 8 DMSO 'natural abundance' . . . . . . 0.95 . . % . . . . 31058 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 31058 _Sample.ID 6 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.25 mM [U-15N] alpha7nAChR C317 TMD+ICD, 5 mM sodium acetate, 35 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 500 uM ivermectin, 0.8 % DMSO, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'alpha7nAChR C317 TMD+ICD' [U-15N] . . 1 $entity_1 . . 0.25 . . mM 0.01 . . . 31058 6 2 'sodium acetate' 'natural abundance' . . . . . . 5 . . mM . . . . 31058 6 3 LDAO 'natural abundance' . . . . . . 35 . . mM . . . . 31058 6 4 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 31058 6 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 31058 6 6 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 31058 6 7 ivermectin 'natural abundance' . . . . . . 500 . . uM . . . . 31058 6 8 DMSO 'natural abundance' . . . . . . 0.8 . . % . . . . 31058 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 31058 _Sample.ID 7 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.25 mM [U-15N] alpha7nAChR C317 TMD+ICD, 5 mM sodium acetate, 35 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 500 uM ivermectin, 0.8 % DMSO, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'alpha7nAChR C317 TMD+ICD' [U-15N] . . 1 $entity_1 . . 0.25 . . mM 0.01 . . . 31058 7 2 'sodium acetate' 'natural abundance' . . . . . . 5 . . mM . . . . 31058 7 3 LDAO 'natural abundance' . . . . . . 35 . . mM . . . . 31058 7 4 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 31058 7 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 31058 7 6 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 31058 7 7 ivermectin 'natural abundance' . . . . . . 500 . . uM . . . . 31058 7 8 DMSO 'natural abundance' . . . . . . 0.8 . . % . . . . 31058 7 stop_ save_ save_sample_8 _Sample.Sf_category sample _Sample.Sf_framecode sample_8 _Sample.Entry_ID 31058 _Sample.ID 8 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.25 mM [U-15N] alpha7nAChR C317 TMD+ICD, 5 mM sodium acetate, 35 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 500 uM ivermectin, 0.8 % DMSO, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'alpha7nAChR C317 TMD+ICD' [U-15N] . . 1 $entity_1 . . 0.25 . . mM 0.01 . . . 31058 8 2 'sodium acetate' 'natural abundance' . . . . . . 5 . . mM . . . . 31058 8 3 LDAO 'natural abundance' . . . . . . 35 . . mM . . . . 31058 8 4 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 31058 8 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 31058 8 6 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 31058 8 7 ivermectin 'natural abundance' . . . . . . 500 . . uM . . . . 31058 8 8 DMSO 'natural abundance' . . . . . . 0.8 . . % . . . . 31058 8 stop_ save_ save_sample_9 _Sample.Sf_category sample _Sample.Sf_framecode sample_9 _Sample.Entry_ID 31058 _Sample.ID 9 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.20 mM [U-15N] alpha7nAChR C317 TMD+ICD, 5 mM sodium acetate, 35 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 500 uM ivermectin, 0.8 % DMSO, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'alpha7nAChR C317 TMD+ICD' [U-15N] . . 1 $entity_1 . . 0.20 . . mM 0.01 . . . 31058 9 2 'sodium acetate' 'natural abundance' . . . . . . 5 . . mM . . . . 31058 9 3 LDAO 'natural abundance' . . . . . . 35 . . mM . . . . 31058 9 4 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 31058 9 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 31058 9 6 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 31058 9 7 ivermectin 'natural abundance' . . . . . . 500 . . uM . . . . 31058 9 8 DMSO 'natural abundance' . . . . . . 0.8 . . % . . . . 31058 9 stop_ save_ save_sample_10 _Sample.Sf_category sample _Sample.Sf_framecode sample_10 _Sample.Entry_ID 31058 _Sample.ID 10 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.22 mM [U-15N] V311C-MTSL alpha7nAChR TMD+ICD, 5 mM sodium acetate, 35 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 220 uM ivermectin, 0.4 % DMSO, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium acetate' 'natural abundance' . . . . . . 5 . . mM . . . . 31058 10 2 LDAO 'natural abundance' . . . . . . 35 . . mM . . . . 31058 10 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 31058 10 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 31058 10 5 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 31058 10 6 ivermectin 'natural abundance' . . . . . . 220 . . uM . . . . 31058 10 7 DMSO 'natural abundance' . . . . . . 0.4 . . % . . . . 31058 10 8 'V311C-MTSL alpha7nAChR TMD+ICD' [U-15N] . . 1 $entity_1 . . 0.22 . . mM 0.01 . . . 31058 10 stop_ save_ save_sample_11 _Sample.Sf_category sample _Sample.Sf_framecode sample_11 _Sample.Entry_ID 31058 _Sample.ID 11 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.22 mM [U-15N] V311C-MTSL alpha7nAChR TMD+ICD, 5 mM sodium acetate, 35 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium acetate' 'natural abundance' . . . . . . 5 . . mM . . . . 31058 11 2 LDAO 'natural abundance' . . . . . . 35 . . mM . . . . 31058 11 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 31058 11 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 31058 11 5 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 31058 11 6 'V311C-MTSL alpha7nAChR TMD+ICD' [U-15N] . . 1 $entity_1 . . 0.22 . . mM 0.01 . . . 31058 11 stop_ save_ save_sample_12 _Sample.Sf_category sample _Sample.Sf_framecode sample_12 _Sample.Entry_ID 31058 _Sample.ID 12 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.22 mM [U-15N] C335-MTSL alpha7nAChR TMD+ICD, 5 mM sodium acetate, 26 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 220 uM ivermectin, 0.4 % DMSO, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium acetate' 'natural abundance' . . . . . . 5 . . mM . . . . 31058 12 2 LDAO 'natural abundance' . . . . . . 26 . . mM . . . . 31058 12 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 31058 12 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 31058 12 5 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 31058 12 6 ivermectin 'natural abundance' . . . . . . 220 . . uM . . . . 31058 12 7 DMSO 'natural abundance' . . . . . . 0.4 . . % . . . . 31058 12 8 'C335-MTSL alpha7nAChR TMD+ICD' [U-15N] . . 1 $entity_1 . . 0.22 . . mM 0.01 . . . 31058 12 stop_ save_ save_sample_13 _Sample.Sf_category sample _Sample.Sf_framecode sample_13 _Sample.Entry_ID 31058 _Sample.ID 13 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.22 mM [U-15N] C335-MTSL alpha7nAChR TMD+ICD, 5 mM sodium acetate, 26 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium acetate' 'natural abundance' . . . . . . 5 . . mM . . . . 31058 13 2 LDAO 'natural abundance' . . . . . . 26 . . mM . . . . 31058 13 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 31058 13 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 31058 13 5 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 31058 13 6 'C335-MTSL alpha7nAChR TMD+ICD' [U-15N] . . 1 $entity_1 . . 0.22 . . mM 0.01 . . . 31058 13 stop_ save_ save_sample_14 _Sample.Sf_category sample _Sample.Sf_framecode sample_14 _Sample.Entry_ID 31058 _Sample.ID 14 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.2 mM [U-15N] C342-MTSL alpha7nAChR TMD+ICD, 5 mM sodium acetate, 26 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 200 uM ivermectin, 0.4 % DMSO, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium acetate' 'natural abundance' . . . . . . 5 . . mM . . . . 31058 14 2 LDAO 'natural abundance' . . . . . . 26 . . mM . . . . 31058 14 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 31058 14 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 31058 14 5 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 31058 14 6 ivermectin 'natural abundance' . . . . . . 200 . . uM . . . . 31058 14 7 DMSO 'natural abundance' . . . . . . 0.4 . . % . . . . 31058 14 8 'C342-MTSL alpha7nAChR TMD+ICD' [U-15N] . . 1 $entity_1 . . 0.2 . . mM 0.01 . . . 31058 14 stop_ save_ save_sample_15 _Sample.Sf_category sample _Sample.Sf_framecode sample_15 _Sample.Entry_ID 31058 _Sample.ID 15 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.2 % [U-15N] C342-MTSL alpha7nAChR TMD+ICD, 5 mM sodium acetate, 26 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium acetate' 'natural abundance' . . . . . . 5 . . mM . . . . 31058 15 2 LDAO 'natural abundance' . . . . . . 26 . . mM . . . . 31058 15 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 31058 15 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 31058 15 5 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 31058 15 6 'C342-MTSL alpha7nAChR TMD+ICD' [U-15N] . . 1 $entity_1 . . 0.2 . . % 0.01 . . . 31058 15 stop_ save_ save_sample_16 _Sample.Sf_category sample _Sample.Sf_framecode sample_16 _Sample.Entry_ID 31058 _Sample.ID 16 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.2 mM [U-15N] S350C-MTSL alpha7nAChR TMD+ICD, 5 mM sodium acetate, 44 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 200 uM ivermectin, 0.4 % DMSO, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium acetate' 'natural abundance' . . . . . . 5 . . mM . . . . 31058 16 2 LDAO 'natural abundance' . . . . . . 44 . . mM . . . . 31058 16 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 31058 16 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 31058 16 5 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 31058 16 6 ivermectin 'natural abundance' . . . . . . 200 . . uM . . . . 31058 16 7 DMSO 'natural abundance' . . . . . . 0.4 . . % . . . . 31058 16 8 'S350C-MTSL alpha7nAChR TMD+ICD' [U-15N] . . 1 $entity_1 . . 0.2 . . mM 0.01 . . . 31058 16 stop_ save_ save_sample_17 _Sample.Sf_category sample _Sample.Sf_framecode sample_17 _Sample.Entry_ID 31058 _Sample.ID 17 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.2 mM [U-15N] S350C-MTSL alpha7nAChR TMD+ICD, 5 mM sodium acetate, 44 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium acetate' 'natural abundance' . . . . . . 5 . . mM . . . . 31058 17 2 LDAO 'natural abundance' . . . . . . 44 . . mM . . . . 31058 17 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 31058 17 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 31058 17 5 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 31058 17 6 'S350C-MTSL alpha7nAChR TMD+ICD' [U-15N] . . 1 $entity_1 . . 0.2 . . mM 0.01 . . . 31058 17 stop_ save_ save_sample_18 _Sample.Sf_category sample _Sample.Sf_framecode sample_18 _Sample.Entry_ID 31058 _Sample.ID 18 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.2 mM [U-15N] C375-MTSL alpha7nAChR TMD+ICD, 5 mM sodium acetate, 35 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 200 uM ivermectin, 0.4 % DMSO, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium acetate' 'natural abundance' . . . . . . 5 . . mM . . . . 31058 18 2 LDAO 'natural abundance' . . . . . . 35 . . mM . . . . 31058 18 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 31058 18 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 31058 18 5 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 31058 18 6 ivermectin 'natural abundance' . . . . . . 200 . . uM . . . . 31058 18 7 DMSO 'natural abundance' . . . . . . 0.4 . . % . . . . 31058 18 8 'C375-MTSL alpha7nAChR TMD+ICD' [U-15N] . . 1 $entity_1 . . 0.2 . . mM 0.01 . . . 31058 18 stop_ save_ save_sample_19 _Sample.Sf_category sample _Sample.Sf_framecode sample_19 _Sample.Entry_ID 31058 _Sample.ID 19 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.2 mM [U-15N] C375-MTSL alpha7nAChR TMD+ICD, 5 mM sodium acetate, 35 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium acetate' 'natural abundance' . . . . . . 5 . . mM . . . . 31058 19 2 LDAO 'natural abundance' . . . . . . 35 . . mM . . . . 31058 19 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 31058 19 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 31058 19 5 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 31058 19 6 'C375-MTSL alpha7nAChR TMD+ICD' [U-15N] . . 1 $entity_1 . . 0.2 . . mM 0.01 . . . 31058 19 stop_ save_ save_sample_20 _Sample.Sf_category sample _Sample.Sf_framecode sample_20 _Sample.Entry_ID 31058 _Sample.ID 20 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.25 mM [U-15N] C390-MTSL alpha7nAChR TMD+ICD, 5 mM sodium acetate, 44 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 250 uM ivermectin, 0.4 % DMSO, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium acetate' 'natural abundance' . . . . . . 5 . . mM . . . . 31058 20 2 LDAO 'natural abundance' . . . . . . 44 . . mM . . . . 31058 20 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 31058 20 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 31058 20 5 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 31058 20 6 ivermectin 'natural abundance' . . . . . . 250 . . uM . . . . 31058 20 7 DMSO 'natural abundance' . . . . . . 0.4 . . % . . . . 31058 20 8 'C390-MTSL alpha7nAChR TMD+ICD' [U-15N] . . 1 $entity_1 . . 0.25 . . mM 0.01 . . . 31058 20 stop_ save_ save_sample_21 _Sample.Sf_category sample _Sample.Sf_framecode sample_21 _Sample.Entry_ID 31058 _Sample.ID 21 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.25 mM [U-15N] C390-MTSL alpha7nAChR TMD+ICD, 5 mM sodium acetate, 44 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium acetate' 'natural abundance' . . . . . . 5 . . mM . . . . 31058 21 2 LDAO 'natural abundance' . . . . . . 44 . . mM . . . . 31058 21 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 31058 21 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 31058 21 5 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 31058 21 6 'C390-MTSL alpha7nAChR TMD+ICD' [U-15N] . . 1 $entity_1 . . 0.25 . . mM 0.01 . . . 31058 21 stop_ save_ save_sample_22 _Sample.Sf_category sample _Sample.Sf_framecode sample_22 _Sample.Entry_ID 31058 _Sample.ID 22 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.24 mM [U-15N] L415C-MTSL alpha7nAChR TMD+ICD, 5 mM sodium acetate, 35 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 240 uM ivermectin, 0.4 % DMSO, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium acetate' 'natural abundance' . . . . . . 5 . . mM . . . . 31058 22 2 LDAO 'natural abundance' . . . . . . 35 . . mM . . . . 31058 22 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 31058 22 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 31058 22 5 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 31058 22 6 ivermectin 'natural abundance' . . . . . . 240 . . uM . . . . 31058 22 7 DMSO 'natural abundance' . . . . . . 0.4 . . % . . . . 31058 22 8 'L415C-MTSL alpha7nAChR TMD+ICD' [U-15N] . . 1 $entity_1 . . 0.24 . . mM 0.01 . . . 31058 22 stop_ save_ save_sample_23 _Sample.Sf_category sample _Sample.Sf_framecode sample_23 _Sample.Entry_ID 31058 _Sample.ID 23 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.24 mM [U-15N] L415C-MTSL alpha7nAChR TMD+ICD, 5 mM sodium acetate, 35 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium acetate' 'natural abundance' . . . . . . 5 . . mM . . . . 31058 23 2 LDAO 'natural abundance' . . . . . . 35 . . mM . . . . 31058 23 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 31058 23 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 31058 23 5 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 31058 23 6 'L415C-MTSL alpha7nAChR TMD+ICD' [U-15N] . . 1 $entity_1 . . 0.24 . . mM 0.01 . . . 31058 23 stop_ save_ save_sample_24 _Sample.Sf_category sample _Sample.Sf_framecode sample_24 _Sample.Entry_ID 31058 _Sample.ID 24 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.2 mM [U-15N] C435-MTSL alpha7nAChR TMD+ICD, 5 mM sodium acetate, 22 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 200 uM ivermectin, 0.4 % DMSO, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium acetate' 'natural abundance' . . . . . . 5 . . mM . . . . 31058 24 2 LDAO 'natural abundance' . . . . . . 22 . . mM . . . . 31058 24 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 31058 24 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 31058 24 5 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 31058 24 6 ivermectin 'natural abundance' . . . . . . 200 . . uM . . . . 31058 24 7 DMSO 'natural abundance' . . . . . . 0.4 . . % . . . . 31058 24 8 'C435-MTSL alpha7nAChR TMD+ICD' [U-15N] . . 1 $entity_1 . . 0.2 . . mM 0.01 . . . 31058 24 stop_ save_ save_sample_25 _Sample.Sf_category sample _Sample.Sf_framecode sample_25 _Sample.Entry_ID 31058 _Sample.ID 25 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.2 mM [U-15N] C435-MTSL alpha7nAChR TMD+ICD, 5 mM sodium acetate, 22 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium acetate' 'natural abundance' . . . . . . 5 . . mM . . . . 31058 25 2 LDAO 'natural abundance' . . . . . . 22 . . mM . . . . 31058 25 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 31058 25 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 31058 25 5 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 31058 25 6 'C435-MTSL alpha7nAChR TMD+ICD' [U-15N] . . 1 $entity_1 . . 0.2 . . mM 0.01 . . . 31058 25 stop_ save_ save_sample_26 _Sample.Sf_category sample _Sample.Sf_framecode sample_26 _Sample.Entry_ID 31058 _Sample.ID 26 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.22 mM [U-13C; U-15N] alpha7nAChR C317 TMD+ICD, 5 mM sodium acetate, 44 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 30 uM ivermectin, 30 uM PNU, 0.2 % DMSO, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'alpha7nAChR C317 TMD+ICD' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.22 . . mM 0.01 . . . 31058 26 2 'sodium acetate' 'natural abundance' . . . . . . 5 . . mM . . . . 31058 26 3 LDAO 'natural abundance' . . . . . . 44 . . mM . . . . 31058 26 4 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 31058 26 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 31058 26 6 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 31058 26 7 ivermectin 'natural abundance' . . . . . . 30 . . uM . . . . 31058 26 8 DMSO 'natural abundance' . . . . . . 0.2 . . % . . . . 31058 26 9 PNU 'natural abundance' . . . . . . 30 . . uM . . . . 31058 26 stop_ save_ save_sample_27 _Sample.Sf_category sample _Sample.Sf_framecode sample_27 _Sample.Entry_ID 31058 _Sample.ID 27 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.22 mM [U-13C; U-15N] alpha7nAChR C317 TMD+ICD, 5 mM sodium acetate, 44 mM LDAO, 25 mM sodium chloride, 5 % D2O, 20 uM DSS, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'alpha7nAChR C317 TMD+ICD' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.22 . . mM 0.01 . . . 31058 27 2 'sodium acetate' 'natural abundance' . . . . . . 5 . . mM . . . . 31058 27 3 LDAO 'natural abundance' . . . . . . 44 . . mM . . . . 31058 27 4 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 31058 27 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 31058 27 6 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 31058 27 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 31058 _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 'ionic strength' 25 . mM 31058 1 pH 4.7 . pH 31058 1 pressure 1 . atm 31058 1 temperature 318 . K 31058 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31058 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 31058 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 31058 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31058 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 10.9 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 31058 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 31058 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 31058 _Software.ID 3 _Software.Type . _Software.Name Sparky _Software.Version 3.190 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 31058 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 31058 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 31058 _Software.ID 4 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 1.470 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee, Tonelli and Markley' . . 31058 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 31058 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 31058 _Software.ID 5 _Software.Type . _Software.Name CS-ROSETTA _Software.Version 3.17 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Vernon, Baker and Bax' . . 31058 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 31058 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 31058 _Software.ID 6 _Software.Type . _Software.Name Rosetta _Software.Version 3.7 _Software.DOI . _Software.Details ; Leaver-Fay, Tyka, Lewis, Lange, Thompson, Jacak, Kaufman, Renfrew, Smith, Sheffler, Davis, Cooper, Treuille, Mandell, Richter, Ban, Fleishman, Corn, Kim, Lyskov, Berrondo, Mentzer, Popovic, Havranek, Karanicolas, Das, Meiler, Kortemme, Gray, Kuhlman, Baker, and Bradley ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Rosetta . . 31058 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 31058 6 'structure calculation' . 31058 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 31058 _Software.ID 7 _Software.Type . _Software.Name MolProbity _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Richardson . . 31058 7 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 31058 7 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 31058 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 31058 _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 NMR_spectrometer_1 Bruker 'AVANCE II' . 800 . . . 31058 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 31058 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31058 1 2 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31058 1 3 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31058 1 4 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31058 1 5 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31058 1 6 '2D 1H-15N STD TROSY-HSQC' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31058 1 7 '2D 1H-15N STD TROSY-HSQC' no . . . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31058 1 8 '2D 1H-15N STD TROSY-HSQC' no . . . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31058 1 9 '2D NOESY' no . . . . . . . . . . . . 9 $sample_9 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31058 1 10 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . . . 10 $sample_10 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31058 1 11 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . . . 11 $sample_11 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31058 1 12 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . . . 12 $sample_12 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31058 1 13 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . . . 13 $sample_13 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31058 1 14 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . . . 14 $sample_14 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31058 1 15 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . . . 15 $sample_15 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31058 1 16 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . . . 16 $sample_16 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31058 1 17 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . . . 17 $sample_17 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31058 1 18 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . . . 18 $sample_18 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31058 1 19 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . . . 19 $sample_19 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31058 1 20 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . . . 20 $sample_20 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31058 1 21 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . . . 21 $sample_21 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31058 1 22 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . . . 22 $sample_22 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31058 1 23 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . . . 23 $sample_23 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31058 1 24 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . . . 24 $sample_24 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31058 1 25 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . . . 25 $sample_25 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31058 1 26 '3D TROSY-HNCO' no . . . . . . . . . . . . 26 $sample_26 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31058 1 27 '3D TROSY-HNCO' no . . . . . . . . . . . . 27 $sample_27 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31058 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 31058 _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 0.000 internal indirect 0.251449530 . . . . . 31058 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 31058 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 31058 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 31058 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY-HSQC' . . . 31058 1 2 '2D 1H-15N TROSY-HSQC' . . . 31058 1 3 '2D 1H-15N TROSY-HSQC' . . . 31058 1 4 '2D 1H-15N TROSY-HSQC' . . . 31058 1 5 '2D 1H-15N TROSY-HSQC' . . . 31058 1 6 '2D 1H-15N STD TROSY-HSQC' . . . 31058 1 7 '2D 1H-15N STD TROSY-HSQC' . . . 31058 1 8 '2D 1H-15N STD TROSY-HSQC' . . . 31058 1 9 '2D NOESY' . . . 31058 1 10 '2D 1H-15N TROSY-HSQC' . . . 31058 1 11 '2D 1H-15N TROSY-HSQC' . . . 31058 1 12 '2D 1H-15N TROSY-HSQC' . . . 31058 1 13 '2D 1H-15N TROSY-HSQC' . . . 31058 1 14 '2D 1H-15N TROSY-HSQC' . . . 31058 1 15 '2D 1H-15N TROSY-HSQC' . . . 31058 1 16 '2D 1H-15N TROSY-HSQC' . . . 31058 1 17 '2D 1H-15N TROSY-HSQC' . . . 31058 1 18 '2D 1H-15N TROSY-HSQC' . . . 31058 1 19 '2D 1H-15N TROSY-HSQC' . . . 31058 1 20 '2D 1H-15N TROSY-HSQC' . . . 31058 1 21 '2D 1H-15N TROSY-HSQC' . . . 31058 1 22 '2D 1H-15N TROSY-HSQC' . . . 31058 1 23 '2D 1H-15N TROSY-HSQC' . . . 31058 1 24 '2D 1H-15N TROSY-HSQC' . . . 31058 1 25 '2D 1H-15N TROSY-HSQC' . . . 31058 1 26 '3D TROSY-HNCO' . . . 31058 1 27 '3D TROSY-HNCO' . . . 31058 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 7 7 LEU HA H 1 4.019 0.012 . . . . . . A 209 LEU HA . 31058 1 2 . 1 . 1 7 7 LEU HB2 H 1 1.654 0.015 . . . . . . A 209 LEU HB2 . 31058 1 3 . 1 . 1 7 7 LEU HD11 H 1 0.89 0.019 . . . . . . A 209 LEU HD11 . 31058 1 4 . 1 . 1 7 7 LEU HD12 H 1 0.89 0.019 . . . . . . A 209 LEU HD12 . 31058 1 5 . 1 . 1 7 7 LEU HD13 H 1 0.89 0.019 . . . . . . A 209 LEU HD13 . 31058 1 6 . 1 . 1 7 7 LEU C C 13 178.172 0.01 . . . . . . A 209 LEU C . 31058 1 7 . 1 . 1 7 7 LEU CA C 13 58.024 0.018 . . . . . . A 209 LEU CA . 31058 1 8 . 1 . 1 7 7 LEU CB C 13 41.907 0.01 . . . . . . A 209 LEU CB . 31058 1 9 . 1 . 1 7 7 LEU CD1 C 13 25.104 0.049 . . . . . . A 209 LEU CD1 . 31058 1 10 . 1 . 1 7 7 LEU N N 15 118.867 0.037 . . . . . . A 209 LEU N . 31058 1 11 . 1 . 1 8 8 TYR H H 1 8.039 0.014 . . . . . . A 210 TYR H . 31058 1 12 . 1 . 1 8 8 TYR HA H 1 4.097 0.01 . . . . . . A 210 TYR HA . 31058 1 13 . 1 . 1 8 8 TYR HB2 H 1 3.035 0.01 . . . . . . A 210 TYR HB2 . 31058 1 14 . 1 . 1 8 8 TYR HD1 H 1 6.88 0.014 . . . . . . A 210 TYR HD1 . 31058 1 15 . 1 . 1 8 8 TYR HE1 H 1 6.667 0.015 . . . . . . A 210 TYR HE1 . 31058 1 16 . 1 . 1 8 8 TYR C C 13 177.996 0.01 . . . . . . A 210 TYR C . 31058 1 17 . 1 . 1 8 8 TYR CA C 13 60.965 0.031 . . . . . . A 210 TYR CA . 31058 1 18 . 1 . 1 8 8 TYR CB C 13 38.223 0.01 . . . . . . A 210 TYR CB . 31058 1 19 . 1 . 1 8 8 TYR CD1 C 13 132.814 0.087 . . . . . . A 210 TYR CD1 . 31058 1 20 . 1 . 1 8 8 TYR CE1 C 13 118.107 0.042 . . . . . . A 210 TYR CE1 . 31058 1 21 . 1 . 1 8 8 TYR N N 15 117.972 0.228 . . . . . . A 210 TYR N . 31058 1 22 . 1 . 1 9 9 TYR H H 1 8.295 0.017 . . . . . . A 211 TYR H . 31058 1 23 . 1 . 1 9 9 TYR HA H 1 4.131 0.018 . . . . . . A 211 TYR HA . 31058 1 24 . 1 . 1 9 9 TYR HB2 H 1 3.079 0.017 . . . . . . A 211 TYR HB2 . 31058 1 25 . 1 . 1 9 9 TYR HD1 H 1 7.108 0.026 . . . . . . A 211 TYR HD1 . 31058 1 26 . 1 . 1 9 9 TYR HE1 H 1 6.675 0.016 . . . . . . A 211 TYR HE1 . 31058 1 27 . 1 . 1 9 9 TYR C C 13 178.111 0.01 . . . . . . A 211 TYR C . 31058 1 28 . 1 . 1 9 9 TYR CA C 13 61.429 0.041 . . . . . . A 211 TYR CA . 31058 1 29 . 1 . 1 9 9 TYR CB C 13 38.322 0.01 . . . . . . A 211 TYR CB . 31058 1 30 . 1 . 1 9 9 TYR CD1 C 13 133.228 0.247 . . . . . . A 211 TYR CD1 . 31058 1 31 . 1 . 1 9 9 TYR CE1 C 13 117.92 0.251 . . . . . . A 211 TYR CE1 . 31058 1 32 . 1 . 1 9 9 TYR N N 15 118.831 0.116 . . . . . . A 211 TYR N . 31058 1 33 . 1 . 1 10 10 GLY H H 1 8.484 0.01 . . . . . . A 212 GLY H . 31058 1 34 . 1 . 1 10 10 GLY HA2 H 1 3.735 0.016 . . . . . . A 212 GLY HA2 . 31058 1 35 . 1 . 1 10 10 GLY C C 13 175.281 0.01 . . . . . . A 212 GLY C . 31058 1 36 . 1 . 1 10 10 GLY CA C 13 47.308 0.16 . . . . . . A 212 GLY CA . 31058 1 37 . 1 . 1 10 10 GLY N N 15 105.982 0.125 . . . . . . A 212 GLY N . 31058 1 38 . 1 . 1 11 11 LEU H H 1 8.474 0.013 . . . . . . A 213 LEU H . 31058 1 39 . 1 . 1 11 11 LEU HA H 1 4.029 0.01 . . . . . . A 213 LEU HA . 31058 1 40 . 1 . 1 11 11 LEU HB2 H 1 1.909 0.011 . . . . . . A 213 LEU HB2 . 31058 1 41 . 1 . 1 11 11 LEU HD11 H 1 0.844 0.019 . . . . . . A 213 LEU HD11 . 31058 1 42 . 1 . 1 11 11 LEU HD12 H 1 0.844 0.019 . . . . . . A 213 LEU HD12 . 31058 1 43 . 1 . 1 11 11 LEU HD13 H 1 0.844 0.019 . . . . . . A 213 LEU HD13 . 31058 1 44 . 1 . 1 11 11 LEU C C 13 177.943 0.01 . . . . . . A 213 LEU C . 31058 1 45 . 1 . 1 11 11 LEU CA C 13 58.259 0.043 . . . . . . A 213 LEU CA . 31058 1 46 . 1 . 1 11 11 LEU CB C 13 41.896 0.01 . . . . . . A 213 LEU CB . 31058 1 47 . 1 . 1 11 11 LEU CD1 C 13 24.989 0.03 . . . . . . A 213 LEU CD1 . 31058 1 48 . 1 . 1 11 11 LEU N N 15 121.132 0.083 . . . . . . A 213 LEU N . 31058 1 49 . 1 . 1 12 12 ASN H H 1 7.774 0.007 . . . . . . A 214 ASN H . 31058 1 50 . 1 . 1 12 12 ASN HA H 1 4.351 0.016 . . . . . . A 214 ASN HA . 31058 1 51 . 1 . 1 12 12 ASN HB2 H 1 2.675 0.018 . . . . . . A 214 ASN HB2 . 31058 1 52 . 1 . 1 12 12 ASN HB3 H 1 2.739 0.01 . . . . . . A 214 ASN HB3 . 31058 1 53 . 1 . 1 12 12 ASN HD21 H 1 7.503 0.022 . . . . . . A 214 ASN HD21 . 31058 1 54 . 1 . 1 12 12 ASN HD22 H 1 6.787 0.017 . . . . . . A 214 ASN HD22 . 31058 1 55 . 1 . 1 12 12 ASN C C 13 175.617 0.01 . . . . . . A 214 ASN C . 31058 1 56 . 1 . 1 12 12 ASN CA C 13 56.044 0.022 . . . . . . A 214 ASN CA . 31058 1 57 . 1 . 1 12 12 ASN CB C 13 39.643 0.01 . . . . . . A 214 ASN CB . 31058 1 58 . 1 . 1 12 12 ASN N N 15 114.679 0.002 . . . . . . A 214 ASN N . 31058 1 59 . 1 . 1 12 12 ASN ND2 N 15 112.194 0.014 . . . . . . A 214 ASN ND2 . 31058 1 60 . 1 . 1 13 13 LEU H H 1 7.316 0.018 . . . . . . A 215 LEU H . 31058 1 61 . 1 . 1 13 13 LEU HA H 1 4.381 0.016 . . . . . . A 215 LEU HA . 31058 1 62 . 1 . 1 13 13 LEU HB2 H 1 1.646 0.017 . . . . . . A 215 LEU HB2 . 31058 1 63 . 1 . 1 13 13 LEU HD11 H 1 0.766 0.018 . . . . . . A 215 LEU HD11 . 31058 1 64 . 1 . 1 13 13 LEU HD12 H 1 0.766 0.018 . . . . . . A 215 LEU HD12 . 31058 1 65 . 1 . 1 13 13 LEU HD13 H 1 0.766 0.018 . . . . . . A 215 LEU HD13 . 31058 1 66 . 1 . 1 13 13 LEU HD21 H 1 0.849 0.012 . . . . . . A 215 LEU HD21 . 31058 1 67 . 1 . 1 13 13 LEU HD22 H 1 0.849 0.012 . . . . . . A 215 LEU HD22 . 31058 1 68 . 1 . 1 13 13 LEU HD23 H 1 0.849 0.012 . . . . . . A 215 LEU HD23 . 31058 1 69 . 1 . 1 13 13 LEU C C 13 177.603 0.01 . . . . . . A 215 LEU C . 31058 1 70 . 1 . 1 13 13 LEU CA C 13 56.297 0.106 . . . . . . A 215 LEU CA . 31058 1 71 . 1 . 1 13 13 LEU CB C 13 42.221 0.01 . . . . . . A 215 LEU CB . 31058 1 72 . 1 . 1 13 13 LEU CD1 C 13 24.021 0.147 . . . . . . A 215 LEU CD1 . 31058 1 73 . 1 . 1 13 13 LEU CD2 C 13 25.149 0.111 . . . . . . A 215 LEU CD2 . 31058 1 74 . 1 . 1 13 13 LEU N N 15 114.997 0.062 . . . . . . A 215 LEU N . 31058 1 75 . 1 . 1 14 14 LEU H H 1 8.168 0.011 . . . . . . A 216 LEU H . 31058 1 76 . 1 . 1 14 14 LEU HA H 1 4.229 0.012 . . . . . . A 216 LEU HA . 31058 1 77 . 1 . 1 14 14 LEU HB2 H 1 1.554 0.017 . . . . . . A 216 LEU HB2 . 31058 1 78 . 1 . 1 14 14 LEU HD11 H 1 0.781 0.017 . . . . . . A 216 LEU HD11 . 31058 1 79 . 1 . 1 14 14 LEU HD12 H 1 0.781 0.017 . . . . . . A 216 LEU HD12 . 31058 1 80 . 1 . 1 14 14 LEU HD13 H 1 0.781 0.017 . . . . . . A 216 LEU HD13 . 31058 1 81 . 1 . 1 14 14 LEU CA C 13 56.314 0.091 . . . . . . A 216 LEU CA . 31058 1 82 . 1 . 1 14 14 LEU CB C 13 42.156 0.01 . . . . . . A 216 LEU CB . 31058 1 83 . 1 . 1 14 14 LEU CD1 C 13 25.101 0.063 . . . . . . A 216 LEU CD1 . 31058 1 84 . 1 . 1 14 14 LEU N N 15 121.683 0.063 . . . . . . A 216 LEU N . 31058 1 85 . 1 . 1 15 15 ILE H H 1 8.369 0.011 . . . . . . A 217 ILE H . 31058 1 86 . 1 . 1 15 15 ILE HA H 1 3.505 0.013 . . . . . . A 217 ILE HA . 31058 1 87 . 1 . 1 15 15 ILE HB H 1 1.813 0.011 . . . . . . A 217 ILE HB . 31058 1 88 . 1 . 1 15 15 ILE HG13 H 1 1.21 0.012 . . . . . . A 217 ILE HG13 . 31058 1 89 . 1 . 1 15 15 ILE HG21 H 1 0.86 0.019 . . . . . . A 217 ILE HG21 . 31058 1 90 . 1 . 1 15 15 ILE HG22 H 1 0.86 0.019 . . . . . . A 217 ILE HG22 . 31058 1 91 . 1 . 1 15 15 ILE HG23 H 1 0.86 0.019 . . . . . . A 217 ILE HG23 . 31058 1 92 . 1 . 1 15 15 ILE HD11 H 1 0.804 0.013 . . . . . . A 217 ILE HD11 . 31058 1 93 . 1 . 1 15 15 ILE HD12 H 1 0.804 0.013 . . . . . . A 217 ILE HD12 . 31058 1 94 . 1 . 1 15 15 ILE HD13 H 1 0.804 0.013 . . . . . . A 217 ILE HD13 . 31058 1 95 . 1 . 1 15 15 ILE CA C 13 65.938 0.023 . . . . . . A 217 ILE CA . 31058 1 96 . 1 . 1 15 15 ILE CB C 13 37.441 0.01 . . . . . . A 217 ILE CB . 31058 1 97 . 1 . 1 15 15 ILE CG1 C 13 28.214 0.01 . . . . . . A 217 ILE CG1 . 31058 1 98 . 1 . 1 15 15 ILE CG2 C 13 17.734 0.015 . . . . . . A 217 ILE CG2 . 31058 1 99 . 1 . 1 15 15 ILE CD1 C 13 13.263 0.144 . . . . . . A 217 ILE CD1 . 31058 1 100 . 1 . 1 15 15 ILE N N 15 117.362 0.128 . . . . . . A 217 ILE N . 31058 1 101 . 1 . 1 16 16 PRO HA H 1 4.11 0.01 . . . . . . A 218 PRO HA . 31058 1 102 . 1 . 1 16 16 PRO HB2 H 1 1.817 0.018 . . . . . . A 218 PRO HB2 . 31058 1 103 . 1 . 1 16 16 PRO HD2 H 1 3.496 0.012 . . . . . . A 218 PRO HD2 . 31058 1 104 . 1 . 1 16 16 PRO C C 13 177.481 0.01 . . . . . . A 218 PRO C . 31058 1 105 . 1 . 1 16 16 PRO CA C 13 66.636 0.038 . . . . . . A 218 PRO CA . 31058 1 106 . 1 . 1 16 16 PRO CB C 13 31.007 0.01 . . . . . . A 218 PRO CB . 31058 1 107 . 1 . 1 16 16 PRO CD C 13 50.352 0.01 . . . . . . A 218 PRO CD . 31058 1 108 . 1 . 1 17 17 CYS H H 1 7.212 0.01 . . . . . . A 219 CYS H . 31058 1 109 . 1 . 1 17 17 CYS HA H 1 3.931 0.013 . . . . . . A 219 CYS HA . 31058 1 110 . 1 . 1 17 17 CYS HB2 H 1 3.165 0.018 . . . . . . A 219 CYS HB2 . 31058 1 111 . 1 . 1 17 17 CYS HB3 H 1 2.663 0.016 . . . . . . A 219 CYS HB3 . 31058 1 112 . 1 . 1 17 17 CYS C C 13 177.471 0.01 . . . . . . A 219 CYS C . 31058 1 113 . 1 . 1 17 17 CYS CA C 13 64.467 0.092 . . . . . . A 219 CYS CA . 31058 1 114 . 1 . 1 17 17 CYS CB C 13 26.898 0.053 . . . . . . A 219 CYS CB . 31058 1 115 . 1 . 1 17 17 CYS N N 15 113.246 0.115 . . . . . . A 219 CYS N . 31058 1 116 . 1 . 1 18 18 VAL H H 1 8.43 0.012 . . . . . . A 220 VAL H . 31058 1 117 . 1 . 1 18 18 VAL HA H 1 3.549 0.013 . . . . . . A 220 VAL HA . 31058 1 118 . 1 . 1 18 18 VAL HB H 1 2.224 0.015 . . . . . . A 220 VAL HB . 31058 1 119 . 1 . 1 18 18 VAL HG11 H 1 1.047 0.019 . . . . . . A 220 VAL HG11 . 31058 1 120 . 1 . 1 18 18 VAL HG12 H 1 1.047 0.019 . . . . . . A 220 VAL HG12 . 31058 1 121 . 1 . 1 18 18 VAL HG13 H 1 1.047 0.019 . . . . . . A 220 VAL HG13 . 31058 1 122 . 1 . 1 18 18 VAL HG21 H 1 0.923 0.024 . . . . . . A 220 VAL HG21 . 31058 1 123 . 1 . 1 18 18 VAL HG22 H 1 0.923 0.024 . . . . . . A 220 VAL HG22 . 31058 1 124 . 1 . 1 18 18 VAL HG23 H 1 0.923 0.024 . . . . . . A 220 VAL HG23 . 31058 1 125 . 1 . 1 18 18 VAL CA C 13 66.975 0.018 . . . . . . A 220 VAL CA . 31058 1 126 . 1 . 1 18 18 VAL CB C 13 31.769 0.01 . . . . . . A 220 VAL CB . 31058 1 127 . 1 . 1 18 18 VAL CG1 C 13 23.516 0.049 . . . . . . A 220 VAL CG1 . 31058 1 128 . 1 . 1 18 18 VAL CG2 C 13 21.639 0.013 . . . . . . A 220 VAL CG2 . 31058 1 129 . 1 . 1 18 18 VAL N N 15 121.584 0.17 . . . . . . A 220 VAL N . 31058 1 130 . 1 . 1 19 19 LEU H H 1 8.168 0.009 . . . . . . A 221 LEU H . 31058 1 131 . 1 . 1 19 19 LEU HA H 1 3.958 0.019 . . . . . . A 221 LEU HA . 31058 1 132 . 1 . 1 19 19 LEU HB2 H 1 1.679 0.017 . . . . . . A 221 LEU HB2 . 31058 1 133 . 1 . 1 19 19 LEU HD11 H 1 0.835 0.01 . . . . . . A 221 LEU HD11 . 31058 1 134 . 1 . 1 19 19 LEU HD12 H 1 0.835 0.01 . . . . . . A 221 LEU HD12 . 31058 1 135 . 1 . 1 19 19 LEU HD13 H 1 0.835 0.01 . . . . . . A 221 LEU HD13 . 31058 1 136 . 1 . 1 19 19 LEU C C 13 178.109 0.01 . . . . . . A 221 LEU C . 31058 1 137 . 1 . 1 19 19 LEU CA C 13 58.271 0.035 . . . . . . A 221 LEU CA . 31058 1 138 . 1 . 1 19 19 LEU CB C 13 41.971 0.01 . . . . . . A 221 LEU CB . 31058 1 139 . 1 . 1 19 19 LEU CD1 C 13 25.123 0.084 . . . . . . A 221 LEU CD1 . 31058 1 140 . 1 . 1 19 19 LEU N N 15 121.683 0.068 . . . . . . A 221 LEU N . 31058 1 141 . 1 . 1 20 20 ILE H H 1 8.401 0.017 . . . . . . A 222 ILE H . 31058 1 142 . 1 . 1 20 20 ILE HA H 1 3.617 0.018 . . . . . . A 222 ILE HA . 31058 1 143 . 1 . 1 20 20 ILE HB H 1 1.795 0.019 . . . . . . A 222 ILE HB . 31058 1 144 . 1 . 1 20 20 ILE HG21 H 1 0.796 0.018 . . . . . . A 222 ILE HG21 . 31058 1 145 . 1 . 1 20 20 ILE HG22 H 1 0.796 0.018 . . . . . . A 222 ILE HG22 . 31058 1 146 . 1 . 1 20 20 ILE HG23 H 1 0.796 0.018 . . . . . . A 222 ILE HG23 . 31058 1 147 . 1 . 1 20 20 ILE HD11 H 1 0.761 0.014 . . . . . . A 222 ILE HD11 . 31058 1 148 . 1 . 1 20 20 ILE HD12 H 1 0.761 0.014 . . . . . . A 222 ILE HD12 . 31058 1 149 . 1 . 1 20 20 ILE HD13 H 1 0.761 0.014 . . . . . . A 222 ILE HD13 . 31058 1 150 . 1 . 1 20 20 ILE C C 13 176.99 0.01 . . . . . . A 222 ILE C . 31058 1 151 . 1 . 1 20 20 ILE CA C 13 65.162 0.043 . . . . . . A 222 ILE CA . 31058 1 152 . 1 . 1 20 20 ILE CB C 13 37.441 0.01 . . . . . . A 222 ILE CB . 31058 1 153 . 1 . 1 20 20 ILE CG2 C 13 17.544 0.145 . . . . . . A 222 ILE CG2 . 31058 1 154 . 1 . 1 20 20 ILE CD1 C 13 13.476 0.132 . . . . . . A 222 ILE CD1 . 31058 1 155 . 1 . 1 20 20 ILE N N 15 116.899 0.064 . . . . . . A 222 ILE N . 31058 1 156 . 1 . 1 21 21 SER H H 1 7.781 0.017 . . . . . . A 223 SER H . 31058 1 157 . 1 . 1 21 21 SER HA H 1 4.054 0.01 . . . . . . A 223 SER HA . 31058 1 158 . 1 . 1 21 21 SER C C 13 176.114 0.01 . . . . . . A 223 SER C . 31058 1 159 . 1 . 1 21 21 SER CA C 13 63.6 0.035 . . . . . . A 223 SER CA . 31058 1 160 . 1 . 1 21 21 SER N N 15 115.514 0.066 . . . . . . A 223 SER N . 31058 1 161 . 1 . 1 22 22 ALA H H 1 8.314 0.013 . . . . . . A 224 ALA H . 31058 1 162 . 1 . 1 22 22 ALA HA H 1 3.957 0.017 . . . . . . A 224 ALA HA . 31058 1 163 . 1 . 1 22 22 ALA HB1 H 1 1.417 0.016 . . . . . . A 224 ALA HB1 . 31058 1 164 . 1 . 1 22 22 ALA HB2 H 1 1.417 0.016 . . . . . . A 224 ALA HB2 . 31058 1 165 . 1 . 1 22 22 ALA HB3 H 1 1.417 0.016 . . . . . . A 224 ALA HB3 . 31058 1 166 . 1 . 1 22 22 ALA CA C 13 56.071 0.065 . . . . . . A 224 ALA CA . 31058 1 167 . 1 . 1 22 22 ALA CB C 13 18.245 0.084 . . . . . . A 224 ALA CB . 31058 1 168 . 1 . 1 22 22 ALA N N 15 122.756 0.058 . . . . . . A 224 ALA N . 31058 1 169 . 1 . 1 23 23 LEU HA H 1 3.934 0.016 . . . . . . A 225 LEU HA . 31058 1 170 . 1 . 1 23 23 LEU CA C 13 58.245 0.024 . . . . . . A 225 LEU CA . 31058 1 171 . 1 . 1 24 24 ALA H H 1 8.306 0.018 . . . . . . A 226 ALA H . 31058 1 172 . 1 . 1 24 24 ALA HA H 1 3.945 0.022 . . . . . . A 226 ALA HA . 31058 1 173 . 1 . 1 24 24 ALA HB1 H 1 1.451 0.011 . . . . . . A 226 ALA HB1 . 31058 1 174 . 1 . 1 24 24 ALA HB2 H 1 1.451 0.011 . . . . . . A 226 ALA HB2 . 31058 1 175 . 1 . 1 24 24 ALA HB3 H 1 1.451 0.011 . . . . . . A 226 ALA HB3 . 31058 1 176 . 1 . 1 24 24 ALA C C 13 178.759 0.01 . . . . . . A 226 ALA C . 31058 1 177 . 1 . 1 24 24 ALA CA C 13 55.452 0.078 . . . . . . A 226 ALA CA . 31058 1 178 . 1 . 1 24 24 ALA CB C 13 18.309 0.133 . . . . . . A 226 ALA CB . 31058 1 179 . 1 . 1 24 24 ALA N N 15 119.455 0.109 . . . . . . A 226 ALA N . 31058 1 180 . 1 . 1 25 25 LEU H H 1 7.916 0.01 . . . . . . A 227 LEU H . 31058 1 181 . 1 . 1 25 25 LEU HA H 1 3.955 0.012 . . . . . . A 227 LEU HA . 31058 1 182 . 1 . 1 25 25 LEU HB2 H 1 1.777 0.013 . . . . . . A 227 LEU HB2 . 31058 1 183 . 1 . 1 25 25 LEU HD11 H 1 0.823 0.017 . . . . . . A 227 LEU HD11 . 31058 1 184 . 1 . 1 25 25 LEU HD12 H 1 0.823 0.017 . . . . . . A 227 LEU HD12 . 31058 1 185 . 1 . 1 25 25 LEU HD13 H 1 0.823 0.017 . . . . . . A 227 LEU HD13 . 31058 1 186 . 1 . 1 25 25 LEU C C 13 178.37 0.01 . . . . . . A 227 LEU C . 31058 1 187 . 1 . 1 25 25 LEU CA C 13 58.173 0.059 . . . . . . A 227 LEU CA . 31058 1 188 . 1 . 1 25 25 LEU CB C 13 41.952 0.01 . . . . . . A 227 LEU CB . 31058 1 189 . 1 . 1 25 25 LEU CD1 C 13 25.299 0.265 . . . . . . A 227 LEU CD1 . 31058 1 190 . 1 . 1 25 25 LEU N N 15 116.346 0.102 . . . . . . A 227 LEU N . 31058 1 191 . 1 . 1 26 26 LEU H H 1 8.096 0.015 . . . . . . A 228 LEU H . 31058 1 192 . 1 . 1 26 26 LEU HA H 1 4.048 0.011 . . . . . . A 228 LEU HA . 31058 1 193 . 1 . 1 26 26 LEU HB2 H 1 1.853 0.014 . . . . . . A 228 LEU HB2 . 31058 1 194 . 1 . 1 26 26 LEU HD11 H 1 0.876 0.017 . . . . . . A 228 LEU HD11 . 31058 1 195 . 1 . 1 26 26 LEU HD12 H 1 0.876 0.017 . . . . . . A 228 LEU HD12 . 31058 1 196 . 1 . 1 26 26 LEU HD13 H 1 0.876 0.017 . . . . . . A 228 LEU HD13 . 31058 1 197 . 1 . 1 26 26 LEU C C 13 178.264 0.01 . . . . . . A 228 LEU C . 31058 1 198 . 1 . 1 26 26 LEU CA C 13 58.232 0.02 . . . . . . A 228 LEU CA . 31058 1 199 . 1 . 1 26 26 LEU CB C 13 42.116 0.01 . . . . . . A 228 LEU CB . 31058 1 200 . 1 . 1 26 26 LEU CD1 C 13 25.021 0.012 . . . . . . A 228 LEU CD1 . 31058 1 201 . 1 . 1 26 26 LEU N N 15 112.846 0.116 . . . . . . A 228 LEU N . 31058 1 202 . 1 . 1 27 27 VAL H H 1 7.880 0.011 . . . . . . A 229 VAL H . 31058 1 203 . 1 . 1 27 27 VAL HA H 1 3.56 0.013 . . . . . . A 229 VAL HA . 31058 1 204 . 1 . 1 27 27 VAL HB H 1 2.184 0.014 . . . . . . A 229 VAL HB . 31058 1 205 . 1 . 1 27 27 VAL HG11 H 1 0.893 0.025 . . . . . . A 229 VAL HG11 . 31058 1 206 . 1 . 1 27 27 VAL HG12 H 1 0.893 0.025 . . . . . . A 229 VAL HG12 . 31058 1 207 . 1 . 1 27 27 VAL HG13 H 1 0.893 0.025 . . . . . . A 229 VAL HG13 . 31058 1 208 . 1 . 1 27 27 VAL HG21 H 1 0.669 0.018 . . . . . . A 229 VAL HG21 . 31058 1 209 . 1 . 1 27 27 VAL HG22 H 1 0.669 0.018 . . . . . . A 229 VAL HG22 . 31058 1 210 . 1 . 1 27 27 VAL HG23 H 1 0.669 0.018 . . . . . . A 229 VAL HG23 . 31058 1 211 . 1 . 1 27 27 VAL CA C 13 66.18 0.11 . . . . . . A 229 VAL CA . 31058 1 212 . 1 . 1 27 27 VAL CB C 13 31.662 0.01 . . . . . . A 229 VAL CB . 31058 1 213 . 1 . 1 27 27 VAL CG1 C 13 22.029 0.094 . . . . . . A 229 VAL CG1 . 31058 1 214 . 1 . 1 27 27 VAL CG2 C 13 21.85 0.15 . . . . . . A 229 VAL CG2 . 31058 1 215 . 1 . 1 27 27 VAL N N 15 114.771 0.148 . . . . . . A 229 VAL N . 31058 1 216 . 1 . 1 28 28 PHE H H 1 7.956 0.018 . . . . . . A 230 PHE H . 31058 1 217 . 1 . 1 28 28 PHE HA H 1 4.268 0.021 . . . . . . A 230 PHE HA . 31058 1 218 . 1 . 1 28 28 PHE HB2 H 1 3.13 0.015 . . . . . . A 230 PHE HB2 . 31058 1 219 . 1 . 1 28 28 PHE HD1 H 1 7.351 0.011 . . . . . . A 230 PHE HD1 . 31058 1 220 . 1 . 1 28 28 PHE HE1 H 1 7.156 0.01 . . . . . . A 230 PHE HE1 . 31058 1 221 . 1 . 1 28 28 PHE C C 13 176.498 0.01 . . . . . . A 230 PHE C . 31058 1 222 . 1 . 1 28 28 PHE CA C 13 60.731 0.056 . . . . . . A 230 PHE CA . 31058 1 223 . 1 . 1 28 28 PHE CB C 13 38.365 0.01 . . . . . . A 230 PHE CB . 31058 1 224 . 1 . 1 28 28 PHE CD1 C 13 130.536 0.135 . . . . . . A 230 PHE CD1 . 31058 1 225 . 1 . 1 28 28 PHE N N 15 115.568 0.136 . . . . . . A 230 PHE N . 31058 1 226 . 1 . 1 29 29 LEU H H 1 7.918 0.012 . . . . . . A 231 LEU H . 31058 1 227 . 1 . 1 29 29 LEU HA H 1 4.335 0.022 . . . . . . A 231 LEU HA . 31058 1 228 . 1 . 1 29 29 LEU HB2 H 1 1.909 0.017 . . . . . . A 231 LEU HB2 . 31058 1 229 . 1 . 1 29 29 LEU HB3 H 1 1.479 0.017 . . . . . . A 231 LEU HB3 . 31058 1 230 . 1 . 1 29 29 LEU HD11 H 1 0.636 0.018 . . . . . . A 231 LEU HD11 . 31058 1 231 . 1 . 1 29 29 LEU HD12 H 1 0.636 0.018 . . . . . . A 231 LEU HD12 . 31058 1 232 . 1 . 1 29 29 LEU HD13 H 1 0.636 0.018 . . . . . . A 231 LEU HD13 . 31058 1 233 . 1 . 1 29 29 LEU HD21 H 1 0.856 0.015 . . . . . . A 231 LEU HD21 . 31058 1 234 . 1 . 1 29 29 LEU HD22 H 1 0.856 0.015 . . . . . . A 231 LEU HD22 . 31058 1 235 . 1 . 1 29 29 LEU HD23 H 1 0.856 0.015 . . . . . . A 231 LEU HD23 . 31058 1 236 . 1 . 1 29 29 LEU C C 13 176.971 0.01 . . . . . . A 231 LEU C . 31058 1 237 . 1 . 1 29 29 LEU CA C 13 55.598 0.086 . . . . . . A 231 LEU CA . 31058 1 238 . 1 . 1 29 29 LEU CB C 13 41.956 0.017 . . . . . . A 231 LEU CB . 31058 1 239 . 1 . 1 29 29 LEU CD1 C 13 23.191 0.148 . . . . . . A 231 LEU CD1 . 31058 1 240 . 1 . 1 29 29 LEU CD2 C 13 24.913 0.106 . . . . . . A 231 LEU CD2 . 31058 1 241 . 1 . 1 29 29 LEU N N 15 116.924 0.267 . . . . . . A 231 LEU N . 31058 1 242 . 1 . 1 30 30 LEU H H 1 7.498 0.01 . . . . . . A 232 LEU H . 31058 1 243 . 1 . 1 30 30 LEU HA H 1 4.419 0.01 . . . . . . A 232 LEU HA . 31058 1 244 . 1 . 1 30 30 LEU HB2 H 1 1.962 0.022 . . . . . . A 232 LEU HB2 . 31058 1 245 . 1 . 1 30 30 LEU HD11 H 1 0.843 0.016 . . . . . . A 232 LEU HD11 . 31058 1 246 . 1 . 1 30 30 LEU HD12 H 1 0.843 0.016 . . . . . . A 232 LEU HD12 . 31058 1 247 . 1 . 1 30 30 LEU HD13 H 1 0.843 0.016 . . . . . . A 232 LEU HD13 . 31058 1 248 . 1 . 1 30 30 LEU CA C 13 54.251 0.01 . . . . . . A 232 LEU CA . 31058 1 249 . 1 . 1 30 30 LEU CB C 13 41.985 0.01 . . . . . . A 232 LEU CB . 31058 1 250 . 1 . 1 30 30 LEU CD1 C 13 24.31 0.162 . . . . . . A 232 LEU CD1 . 31058 1 251 . 1 . 1 30 30 LEU N N 15 120.058 0.092 . . . . . . A 232 LEU N . 31058 1 252 . 1 . 1 31 31 PRO HA H 1 4.483 0.018 . . . . . . A 233 PRO HA . 31058 1 253 . 1 . 1 31 31 PRO HB2 H 1 1.993 0.015 . . . . . . A 233 PRO HB2 . 31058 1 254 . 1 . 1 31 31 PRO HD3 H 1 3.543 0.011 . . . . . . A 233 PRO HD3 . 31058 1 255 . 1 . 1 31 31 PRO C C 13 176.353 0.01 . . . . . . A 233 PRO C . 31058 1 256 . 1 . 1 31 31 PRO CA C 13 63.133 0.047 . . . . . . A 233 PRO CA . 31058 1 257 . 1 . 1 31 31 PRO CB C 13 31.189 0.01 . . . . . . A 233 PRO CB . 31058 1 258 . 1 . 1 31 31 PRO CD C 13 50.397 0.01 . . . . . . A 233 PRO CD . 31058 1 259 . 1 . 1 32 32 ALA H H 1 8.208 0.019 . . . . . . A 234 ALA H . 31058 1 260 . 1 . 1 32 32 ALA HA H 1 4.242 0.021 . . . . . . A 234 ALA HA . 31058 1 261 . 1 . 1 32 32 ALA HB1 H 1 1.35 0.017 . . . . . . A 234 ALA HB1 . 31058 1 262 . 1 . 1 32 32 ALA HB2 H 1 1.35 0.017 . . . . . . A 234 ALA HB2 . 31058 1 263 . 1 . 1 32 32 ALA HB3 H 1 1.35 0.017 . . . . . . A 234 ALA HB3 . 31058 1 264 . 1 . 1 32 32 ALA C C 13 177.196 0.01 . . . . . . A 234 ALA C . 31058 1 265 . 1 . 1 32 32 ALA CA C 13 52.857 0.049 . . . . . . A 234 ALA CA . 31058 1 266 . 1 . 1 32 32 ALA CB C 13 19.335 0.122 . . . . . . A 234 ALA CB . 31058 1 267 . 1 . 1 32 32 ALA N N 15 123.401 0.106 . . . . . . A 234 ALA N . 31058 1 268 . 1 . 1 33 33 ASP H H 1 8.213 0.015 . . . . . . A 235 ASP H . 31058 1 269 . 1 . 1 33 33 ASP HA H 1 4.553 0.016 . . . . . . A 235 ASP HA . 31058 1 270 . 1 . 1 33 33 ASP HB2 H 1 2.793 0.015 . . . . . . A 235 ASP HB2 . 31058 1 271 . 1 . 1 33 33 ASP C C 13 176.625 0.01 . . . . . . A 235 ASP C . 31058 1 272 . 1 . 1 33 33 ASP CA C 13 54.352 0.176 . . . . . . A 235 ASP CA . 31058 1 273 . 1 . 1 33 33 ASP CB C 13 41.214 0.01 . . . . . . A 235 ASP CB . 31058 1 274 . 1 . 1 33 33 ASP N N 15 118.039 0.09 . . . . . . A 235 ASP N . 31058 1 275 . 1 . 1 34 34 SER H H 1 8.161 0.01 . . . . . . A 236 SER H . 31058 1 276 . 1 . 1 34 34 SER HA H 1 4.293 0.013 . . . . . . A 236 SER HA . 31058 1 277 . 1 . 1 34 34 SER HB2 H 1 3.881 0.013 . . . . . . A 236 SER HB2 . 31058 1 278 . 1 . 1 34 34 SER C C 13 175.478 0.01 . . . . . . A 236 SER C . 31058 1 279 . 1 . 1 34 34 SER CA C 13 60.288 0.065 . . . . . . A 236 SER CA . 31058 1 280 . 1 . 1 34 34 SER CB C 13 63.5 0.01 . . . . . . A 236 SER CB . 31058 1 281 . 1 . 1 34 34 SER N N 15 115.507 0.081 . . . . . . A 236 SER N . 31058 1 282 . 1 . 1 35 35 GLY H H 1 8.479 0.018 . . . . . . A 237 GLY H . 31058 1 283 . 1 . 1 35 35 GLY HA2 H 1 3.822 0.01 . . . . . . A 237 GLY HA2 . 31058 1 284 . 1 . 1 35 35 GLY C C 13 175.245 0.01 . . . . . . A 237 GLY C . 31058 1 285 . 1 . 1 35 35 GLY CA C 13 46.463 0.209 . . . . . . A 237 GLY CA . 31058 1 286 . 1 . 1 35 35 GLY N N 15 110.004 0.04 . . . . . . A 237 GLY N . 31058 1 287 . 1 . 1 36 36 GLU H H 1 8.168 0.016 . . . . . . A 238 GLU H . 31058 1 288 . 1 . 1 36 36 GLU HA H 1 4.185 0.018 . . . . . . A 238 GLU HA . 31058 1 289 . 1 . 1 36 36 GLU HB2 H 1 2.03 0.019 . . . . . . A 238 GLU HB2 . 31058 1 290 . 1 . 1 36 36 GLU CA C 13 58.361 0.153 . . . . . . A 238 GLU CA . 31058 1 291 . 1 . 1 36 36 GLU CB C 13 29.664 0.01 . . . . . . A 238 GLU CB . 31058 1 292 . 1 . 1 36 36 GLU N N 15 121.683 0.054 . . . . . . A 238 GLU N . 31058 1 293 . 1 . 1 37 37 LYS H H 1 8.438 0.015 . . . . . . A 239 LYS H . 31058 1 294 . 1 . 1 37 37 LYS HA H 1 3.934 0.012 . . . . . . A 239 LYS HA . 31058 1 295 . 1 . 1 37 37 LYS HB2 H 1 1.774 0.01 . . . . . . A 239 LYS HB2 . 31058 1 296 . 1 . 1 37 37 LYS HG2 H 1 1.428 0.01 . . . . . . A 239 LYS HG2 . 31058 1 297 . 1 . 1 37 37 LYS HD2 H 1 1.663 0.016 . . . . . . A 239 LYS HD2 . 31058 1 298 . 1 . 1 37 37 LYS HE2 H 1 2.973 0.012 . . . . . . A 239 LYS HE2 . 31058 1 299 . 1 . 1 37 37 LYS CA C 13 58.205 0.01 . . . . . . A 239 LYS CA . 31058 1 300 . 1 . 1 37 37 LYS CB C 13 31.843 0.01 . . . . . . A 239 LYS CB . 31058 1 301 . 1 . 1 37 37 LYS CG C 13 24.809 0.01 . . . . . . A 239 LYS CG . 31058 1 302 . 1 . 1 37 37 LYS CD C 13 29.208 0.01 . . . . . . A 239 LYS CD . 31058 1 303 . 1 . 1 37 37 LYS CE C 13 42.278 0.011 . . . . . . A 239 LYS CE . 31058 1 304 . 1 . 1 37 37 LYS N N 15 124.218 0.098 . . . . . . A 239 LYS N . 31058 1 305 . 1 . 1 38 38 ILE H H 1 8.249 0.01 . . . . . . A 240 ILE H . 31058 1 306 . 1 . 1 38 38 ILE HA H 1 3.696 0.01 . . . . . . A 240 ILE HA . 31058 1 307 . 1 . 1 38 38 ILE HB H 1 1.96 0.012 . . . . . . A 240 ILE HB . 31058 1 308 . 1 . 1 38 38 ILE HG21 H 1 0.894 0.013 . . . . . . A 240 ILE HG21 . 31058 1 309 . 1 . 1 38 38 ILE HG22 H 1 0.894 0.013 . . . . . . A 240 ILE HG22 . 31058 1 310 . 1 . 1 38 38 ILE HG23 H 1 0.894 0.013 . . . . . . A 240 ILE HG23 . 31058 1 311 . 1 . 1 38 38 ILE HD11 H 1 0.745 0.01 . . . . . . A 240 ILE HD11 . 31058 1 312 . 1 . 1 38 38 ILE HD12 H 1 0.745 0.01 . . . . . . A 240 ILE HD12 . 31058 1 313 . 1 . 1 38 38 ILE HD13 H 1 0.745 0.01 . . . . . . A 240 ILE HD13 . 31058 1 314 . 1 . 1 38 38 ILE CA C 13 64.8 0.161 . . . . . . A 240 ILE CA . 31058 1 315 . 1 . 1 38 38 ILE CB C 13 37.774 0.01 . . . . . . A 240 ILE CB . 31058 1 316 . 1 . 1 38 38 ILE CG2 C 13 18.02 0.01 . . . . . . A 240 ILE CG2 . 31058 1 317 . 1 . 1 38 38 ILE CD1 C 13 13.235 0.01 . . . . . . A 240 ILE CD1 . 31058 1 318 . 1 . 1 38 38 ILE N N 15 116.747 0.01 . . . . . . A 240 ILE N . 31058 1 319 . 1 . 1 39 39 SER H H 1 8.133 0.01 . . . . . . A 241 SER H . 31058 1 320 . 1 . 1 39 39 SER HA H 1 4.027 0.015 . . . . . . A 241 SER HA . 31058 1 321 . 1 . 1 39 39 SER C C 13 176.123 0.01 . . . . . . A 241 SER C . 31058 1 322 . 1 . 1 39 39 SER CA C 13 63.514 0.09 . . . . . . A 241 SER CA . 31058 1 323 . 1 . 1 39 39 SER N N 15 115.661 0.01 . . . . . . A 241 SER N . 31058 1 324 . 1 . 1 40 40 LEU H H 1 8.228 0.018 . . . . . . A 242 LEU H . 31058 1 325 . 1 . 1 40 40 LEU HA H 1 3.966 0.023 . . . . . . A 242 LEU HA . 31058 1 326 . 1 . 1 40 40 LEU HB2 H 1 1.772 0.015 . . . . . . A 242 LEU HB2 . 31058 1 327 . 1 . 1 40 40 LEU HD11 H 1 0.857 0.013 . . . . . . A 242 LEU HD11 . 31058 1 328 . 1 . 1 40 40 LEU HD12 H 1 0.857 0.013 . . . . . . A 242 LEU HD12 . 31058 1 329 . 1 . 1 40 40 LEU HD13 H 1 0.857 0.013 . . . . . . A 242 LEU HD13 . 31058 1 330 . 1 . 1 40 40 LEU C C 13 178.392 0.01 . . . . . . A 242 LEU C . 31058 1 331 . 1 . 1 40 40 LEU CA C 13 58.256 0.029 . . . . . . A 242 LEU CA . 31058 1 332 . 1 . 1 40 40 LEU CB C 13 41.909 0.01 . . . . . . A 242 LEU CB . 31058 1 333 . 1 . 1 40 40 LEU CD1 C 13 25.26 0.01 . . . . . . A 242 LEU CD1 . 31058 1 334 . 1 . 1 40 40 LEU N N 15 121.327 0.015 . . . . . . A 242 LEU N . 31058 1 335 . 1 . 1 41 41 GLY H H 1 8.506 0.015 . . . . . . A 243 GLY H . 31058 1 336 . 1 . 1 41 41 GLY HA2 H 1 3.678 0.022 . . . . . . A 243 GLY HA2 . 31058 1 337 . 1 . 1 41 41 GLY CA C 13 48.005 0.167 . . . . . . A 243 GLY CA . 31058 1 338 . 1 . 1 41 41 GLY N N 15 107.096 0.131 . . . . . . A 243 GLY N . 31058 1 339 . 1 . 1 42 42 ILE H H 1 7.962 0.007 . . . . . . A 244 ILE H . 31058 1 340 . 1 . 1 42 42 ILE HA H 1 3.661 0.01 . . . . . . A 244 ILE HA . 31058 1 341 . 1 . 1 42 42 ILE CA C 13 65.217 0.034 . . . . . . A 244 ILE CA . 31058 1 342 . 1 . 1 42 42 ILE N N 15 118.535 0.014 . . . . . . A 244 ILE N . 31058 1 343 . 1 . 1 43 43 THR H H 1 8.200 0.015 . . . . . . A 245 THR H . 31058 1 344 . 1 . 1 43 43 THR HA H 1 3.625 0.03 . . . . . . A 245 THR HA . 31058 1 345 . 1 . 1 43 43 THR HB H 1 4.255 0.01 . . . . . . A 245 THR HB . 31058 1 346 . 1 . 1 43 43 THR HG21 H 1 1.12 0.011 . . . . . . A 245 THR HG21 . 31058 1 347 . 1 . 1 43 43 THR HG22 H 1 1.12 0.011 . . . . . . A 245 THR HG22 . 31058 1 348 . 1 . 1 43 43 THR HG23 H 1 1.12 0.011 . . . . . . A 245 THR HG23 . 31058 1 349 . 1 . 1 43 43 THR C C 13 175.995 0.01 . . . . . . A 245 THR C . 31058 1 350 . 1 . 1 43 43 THR CA C 13 68.666 0.087 . . . . . . A 245 THR CA . 31058 1 351 . 1 . 1 43 43 THR CG2 C 13 21.868 0.016 . . . . . . A 245 THR CG2 . 31058 1 352 . 1 . 1 43 43 THR N N 15 115.223 0.084 . . . . . . A 245 THR N . 31058 1 353 . 1 . 1 44 44 VAL H H 1 8.291 0.019 . . . . . . A 246 VAL H . 31058 1 354 . 1 . 1 44 44 VAL HA H 1 3.569 0.016 . . . . . . A 246 VAL HA . 31058 1 355 . 1 . 1 44 44 VAL HB H 1 2.172 0.012 . . . . . . A 246 VAL HB . 31058 1 356 . 1 . 1 44 44 VAL HG11 H 1 0.99 0.011 . . . . . . A 246 VAL HG11 . 31058 1 357 . 1 . 1 44 44 VAL HG12 H 1 0.99 0.011 . . . . . . A 246 VAL HG12 . 31058 1 358 . 1 . 1 44 44 VAL HG13 H 1 0.99 0.011 . . . . . . A 246 VAL HG13 . 31058 1 359 . 1 . 1 44 44 VAL HG21 H 1 0.892 0.01 . . . . . . A 246 VAL HG21 . 31058 1 360 . 1 . 1 44 44 VAL HG22 H 1 0.892 0.01 . . . . . . A 246 VAL HG22 . 31058 1 361 . 1 . 1 44 44 VAL HG23 H 1 0.892 0.01 . . . . . . A 246 VAL HG23 . 31058 1 362 . 1 . 1 44 44 VAL C C 13 178.191 0.01 . . . . . . A 246 VAL C . 31058 1 363 . 1 . 1 44 44 VAL CA C 13 67.248 0.083 . . . . . . A 246 VAL CA . 31058 1 364 . 1 . 1 44 44 VAL CB C 13 31.576 0.01 . . . . . . A 246 VAL CB . 31058 1 365 . 1 . 1 44 44 VAL CG1 C 13 23.346 0.012 . . . . . . A 246 VAL CG1 . 31058 1 366 . 1 . 1 44 44 VAL CG2 C 13 21.538 0.088 . . . . . . A 246 VAL CG2 . 31058 1 367 . 1 . 1 44 44 VAL N N 15 124.208 0.052 . . . . . . A 246 VAL N . 31058 1 368 . 1 . 1 45 45 LEU H H 1 8.093 0.012 . . . . . . A 247 LEU H . 31058 1 369 . 1 . 1 45 45 LEU HA H 1 4.048 0.018 . . . . . . A 247 LEU HA . 31058 1 370 . 1 . 1 45 45 LEU HB2 H 1 1.78 0.014 . . . . . . A 247 LEU HB2 . 31058 1 371 . 1 . 1 45 45 LEU HD11 H 1 0.825 0.018 . . . . . . A 247 LEU HD11 . 31058 1 372 . 1 . 1 45 45 LEU HD12 H 1 0.825 0.018 . . . . . . A 247 LEU HD12 . 31058 1 373 . 1 . 1 45 45 LEU HD13 H 1 0.825 0.018 . . . . . . A 247 LEU HD13 . 31058 1 374 . 1 . 1 45 45 LEU C C 13 180.075 0.01 . . . . . . A 247 LEU C . 31058 1 375 . 1 . 1 45 45 LEU CA C 13 58.717 0.025 . . . . . . A 247 LEU CA . 31058 1 376 . 1 . 1 45 45 LEU CB C 13 41.974 0.01 . . . . . . A 247 LEU CB . 31058 1 377 . 1 . 1 45 45 LEU CD1 C 13 25.074 0.036 . . . . . . A 247 LEU CD1 . 31058 1 378 . 1 . 1 45 45 LEU N N 15 118.686 0.094 . . . . . . A 247 LEU N . 31058 1 379 . 1 . 1 46 46 LEU H H 1 8.891 0.01 . . . . . . A 248 LEU H . 31058 1 380 . 1 . 1 46 46 LEU HA H 1 3.982 0.012 . . . . . . A 248 LEU HA . 31058 1 381 . 1 . 1 46 46 LEU HB2 H 1 1.757 0.015 . . . . . . A 248 LEU HB2 . 31058 1 382 . 1 . 1 46 46 LEU HB3 H 1 1.512 0.014 . . . . . . A 248 LEU HB3 . 31058 1 383 . 1 . 1 46 46 LEU HD11 H 1 0.864 0.016 . . . . . . A 248 LEU HD11 . 31058 1 384 . 1 . 1 46 46 LEU HD12 H 1 0.864 0.016 . . . . . . A 248 LEU HD12 . 31058 1 385 . 1 . 1 46 46 LEU HD13 H 1 0.864 0.016 . . . . . . A 248 LEU HD13 . 31058 1 386 . 1 . 1 46 46 LEU C C 13 178.433 0.01 . . . . . . A 248 LEU C . 31058 1 387 . 1 . 1 46 46 LEU CA C 13 58.396 0.101 . . . . . . A 248 LEU CA . 31058 1 388 . 1 . 1 46 46 LEU CB C 13 41.968 0.017 . . . . . . A 248 LEU CB . 31058 1 389 . 1 . 1 46 46 LEU CD1 C 13 24.989 0.03 . . . . . . A 248 LEU CD1 . 31058 1 390 . 1 . 1 46 46 LEU N N 15 120.094 0.116 . . . . . . A 248 LEU N . 31058 1 391 . 1 . 1 47 47 SER H H 1 8.133 0.017 . . . . . . A 249 SER H . 31058 1 392 . 1 . 1 47 47 SER HA H 1 4.046 0.01 . . . . . . A 249 SER HA . 31058 1 393 . 1 . 1 47 47 SER HB2 H 1 3.966 0.018 . . . . . . A 249 SER HB2 . 31058 1 394 . 1 . 1 47 47 SER CA C 13 63.653 0.067 . . . . . . A 249 SER CA . 31058 1 395 . 1 . 1 47 47 SER CB C 13 63.274 0.01 . . . . . . A 249 SER CB . 31058 1 396 . 1 . 1 47 47 SER N N 15 115.661 0.129 . . . . . . A 249 SER N . 31058 1 397 . 1 . 1 48 48 LEU HA H 1 3.956 0.012 . . . . . . A 250 LEU HA . 31058 1 398 . 1 . 1 48 48 LEU HB2 H 1 1.753 0.014 . . . . . . A 250 LEU HB2 . 31058 1 399 . 1 . 1 48 48 LEU HD11 H 1 0.821 0.017 . . . . . . A 250 LEU HD11 . 31058 1 400 . 1 . 1 48 48 LEU HD12 H 1 0.821 0.017 . . . . . . A 250 LEU HD12 . 31058 1 401 . 1 . 1 48 48 LEU HD13 H 1 0.821 0.017 . . . . . . A 250 LEU HD13 . 31058 1 402 . 1 . 1 48 48 LEU C C 13 178.008 0.01 . . . . . . A 250 LEU C . 31058 1 403 . 1 . 1 48 48 LEU CA C 13 58.397 0.052 . . . . . . A 250 LEU CA . 31058 1 404 . 1 . 1 48 48 LEU CB C 13 41.888 0.01 . . . . . . A 250 LEU CB . 31058 1 405 . 1 . 1 48 48 LEU CD1 C 13 24.766 0.226 . . . . . . A 250 LEU CD1 . 31058 1 406 . 1 . 1 49 49 THR H H 1 8.007 0.017 . . . . . . A 251 THR H . 31058 1 407 . 1 . 1 49 49 THR HA H 1 3.725 0.024 . . . . . . A 251 THR HA . 31058 1 408 . 1 . 1 49 49 THR HG21 H 1 1.134 0.015 . . . . . . A 251 THR HG21 . 31058 1 409 . 1 . 1 49 49 THR HG22 H 1 1.134 0.015 . . . . . . A 251 THR HG22 . 31058 1 410 . 1 . 1 49 49 THR HG23 H 1 1.134 0.015 . . . . . . A 251 THR HG23 . 31058 1 411 . 1 . 1 49 49 THR C C 13 175.952 0.01 . . . . . . A 251 THR C . 31058 1 412 . 1 . 1 49 49 THR CA C 13 68.782 0.068 . . . . . . A 251 THR CA . 31058 1 413 . 1 . 1 49 49 THR CG2 C 13 21.999 0.112 . . . . . . A 251 THR CG2 . 31058 1 414 . 1 . 1 49 49 THR N N 15 117.589 0.105 . . . . . . A 251 THR N . 31058 1 415 . 1 . 1 50 50 VAL H H 1 8.595 0.012 . . . . . . A 252 VAL H . 31058 1 416 . 1 . 1 50 50 VAL HA H 1 3.511 0.015 . . . . . . A 252 VAL HA . 31058 1 417 . 1 . 1 50 50 VAL HB H 1 2.191 0.013 . . . . . . A 252 VAL HB . 31058 1 418 . 1 . 1 50 50 VAL HG11 H 1 0.962 0.017 . . . . . . A 252 VAL HG11 . 31058 1 419 . 1 . 1 50 50 VAL HG12 H 1 0.962 0.017 . . . . . . A 252 VAL HG12 . 31058 1 420 . 1 . 1 50 50 VAL HG13 H 1 0.962 0.017 . . . . . . A 252 VAL HG13 . 31058 1 421 . 1 . 1 50 50 VAL HG21 H 1 0.835 0.01 . . . . . . A 252 VAL HG21 . 31058 1 422 . 1 . 1 50 50 VAL HG22 H 1 0.835 0.01 . . . . . . A 252 VAL HG22 . 31058 1 423 . 1 . 1 50 50 VAL HG23 H 1 0.835 0.01 . . . . . . A 252 VAL HG23 . 31058 1 424 . 1 . 1 50 50 VAL C C 13 177.285 0.01 . . . . . . A 252 VAL C . 31058 1 425 . 1 . 1 50 50 VAL CA C 13 67.36 0.051 . . . . . . A 252 VAL CA . 31058 1 426 . 1 . 1 50 50 VAL CB C 13 31.662 0.01 . . . . . . A 252 VAL CB . 31058 1 427 . 1 . 1 50 50 VAL CG1 C 13 22.689 0.095 . . . . . . A 252 VAL CG1 . 31058 1 428 . 1 . 1 50 50 VAL CG2 C 13 21.327 0.023 . . . . . . A 252 VAL CG2 . 31058 1 429 . 1 . 1 50 50 VAL N N 15 123.423 0.08 . . . . . . A 252 VAL N . 31058 1 430 . 1 . 1 51 51 PHE H H 1 8.360 0.011 . . . . . . A 253 PHE H . 31058 1 431 . 1 . 1 51 51 PHE HA H 1 4.15 0.01 . . . . . . A 253 PHE HA . 31058 1 432 . 1 . 1 51 51 PHE HD1 H 1 7.356 0.012 . . . . . . A 253 PHE HD1 . 31058 1 433 . 1 . 1 51 51 PHE C C 13 177.051 0.01 . . . . . . A 253 PHE C . 31058 1 434 . 1 . 1 51 51 PHE CA C 13 61.907 0.042 . . . . . . A 253 PHE CA . 31058 1 435 . 1 . 1 51 51 PHE CD1 C 13 130.626 0.062 . . . . . . A 253 PHE CD1 . 31058 1 436 . 1 . 1 51 51 PHE N N 15 118.015 0.064 . . . . . . A 253 PHE N . 31058 1 437 . 1 . 1 52 52 MET H H 1 8.425 0.011 . . . . . . A 254 MET H . 31058 1 438 . 1 . 1 52 52 MET HA H 1 4.128 0.012 . . . . . . A 254 MET HA . 31058 1 439 . 1 . 1 52 52 MET HB2 H 1 1.979 0.017 . . . . . . A 254 MET HB2 . 31058 1 440 . 1 . 1 52 52 MET HG2 H 1 2.6 0.014 . . . . . . A 254 MET HG2 . 31058 1 441 . 1 . 1 52 52 MET HG3 H 1 2.397 0.01 . . . . . . A 254 MET HG3 . 31058 1 442 . 1 . 1 52 52 MET HE1 H 1 1.979 0.01 . . . . . . A 254 MET HE1 . 31058 1 443 . 1 . 1 52 52 MET HE2 H 1 1.979 0.01 . . . . . . A 254 MET HE2 . 31058 1 444 . 1 . 1 52 52 MET HE3 H 1 1.979 0.01 . . . . . . A 254 MET HE3 . 31058 1 445 . 1 . 1 52 52 MET C C 13 178.115 0.01 . . . . . . A 254 MET C . 31058 1 446 . 1 . 1 52 52 MET CA C 13 58.882 0.064 . . . . . . A 254 MET CA . 31058 1 447 . 1 . 1 52 52 MET CB C 13 31.93 0.01 . . . . . . A 254 MET CB . 31058 1 448 . 1 . 1 52 52 MET CG C 13 33.329 0.071 . . . . . . A 254 MET CG . 31058 1 449 . 1 . 1 52 52 MET CE C 13 17.395 0.01 . . . . . . A 254 MET CE . 31058 1 450 . 1 . 1 52 52 MET N N 15 116.230 0.123 . . . . . . A 254 MET N . 31058 1 451 . 1 . 1 53 53 LEU H H 1 8.023 0.013 . . . . . . A 255 LEU H . 31058 1 452 . 1 . 1 53 53 LEU HA H 1 3.975 0.01 . . . . . . A 255 LEU HA . 31058 1 453 . 1 . 1 53 53 LEU HB2 H 1 1.855 0.012 . . . . . . A 255 LEU HB2 . 31058 1 454 . 1 . 1 53 53 LEU HD11 H 1 0.818 0.016 . . . . . . A 255 LEU HD11 . 31058 1 455 . 1 . 1 53 53 LEU HD12 H 1 0.818 0.016 . . . . . . A 255 LEU HD12 . 31058 1 456 . 1 . 1 53 53 LEU HD13 H 1 0.818 0.016 . . . . . . A 255 LEU HD13 . 31058 1 457 . 1 . 1 53 53 LEU C C 13 178.244 0.01 . . . . . . A 255 LEU C . 31058 1 458 . 1 . 1 53 53 LEU CA C 13 58.144 0.018 . . . . . . A 255 LEU CA . 31058 1 459 . 1 . 1 53 53 LEU CB C 13 42.116 0.01 . . . . . . A 255 LEU CB . 31058 1 460 . 1 . 1 53 53 LEU CD1 C 13 24.968 0.051 . . . . . . A 255 LEU CD1 . 31058 1 461 . 1 . 1 53 53 LEU N N 15 118.735 0.113 . . . . . . A 255 LEU N . 31058 1 462 . 1 . 1 54 54 LEU H H 1 8.039 0.016 . . . . . . A 256 LEU H . 31058 1 463 . 1 . 1 54 54 LEU HA H 1 3.978 0.023 . . . . . . A 256 LEU HA . 31058 1 464 . 1 . 1 54 54 LEU HB2 H 1 1.846 0.013 . . . . . . A 256 LEU HB2 . 31058 1 465 . 1 . 1 54 54 LEU HD11 H 1 0.796 0.014 . . . . . . A 256 LEU HD11 . 31058 1 466 . 1 . 1 54 54 LEU HD12 H 1 0.796 0.014 . . . . . . A 256 LEU HD12 . 31058 1 467 . 1 . 1 54 54 LEU HD13 H 1 0.796 0.014 . . . . . . A 256 LEU HD13 . 31058 1 468 . 1 . 1 54 54 LEU C C 13 178.026 0.01 . . . . . . A 256 LEU C . 31058 1 469 . 1 . 1 54 54 LEU CA C 13 58.259 0.05 . . . . . . A 256 LEU CA . 31058 1 470 . 1 . 1 54 54 LEU CB C 13 42.116 0.01 . . . . . . A 256 LEU CB . 31058 1 471 . 1 . 1 54 54 LEU CD1 C 13 24.527 0.015 . . . . . . A 256 LEU CD1 . 31058 1 472 . 1 . 1 54 54 LEU N N 15 117.972 0.096 . . . . . . A 256 LEU N . 31058 1 473 . 1 . 1 55 55 VAL H H 1 8.060 0.017 . . . . . . A 257 VAL H . 31058 1 474 . 1 . 1 55 55 VAL HA H 1 3.422 0.03 . . . . . . A 257 VAL HA . 31058 1 475 . 1 . 1 55 55 VAL HB H 1 1.956 0.019 . . . . . . A 257 VAL HB . 31058 1 476 . 1 . 1 55 55 VAL HG11 H 1 0.942 0.021 . . . . . . A 257 VAL HG11 . 31058 1 477 . 1 . 1 55 55 VAL HG12 H 1 0.942 0.021 . . . . . . A 257 VAL HG12 . 31058 1 478 . 1 . 1 55 55 VAL HG13 H 1 0.942 0.021 . . . . . . A 257 VAL HG13 . 31058 1 479 . 1 . 1 55 55 VAL HG21 H 1 0.768 0.016 . . . . . . A 257 VAL HG21 . 31058 1 480 . 1 . 1 55 55 VAL HG22 H 1 0.768 0.016 . . . . . . A 257 VAL HG22 . 31058 1 481 . 1 . 1 55 55 VAL HG23 H 1 0.768 0.016 . . . . . . A 257 VAL HG23 . 31058 1 482 . 1 . 1 55 55 VAL C C 13 177.37 0.01 . . . . . . A 257 VAL C . 31058 1 483 . 1 . 1 55 55 VAL CA C 13 66.793 0.043 . . . . . . A 257 VAL CA . 31058 1 484 . 1 . 1 55 55 VAL CB C 13 31.93 0.01 . . . . . . A 257 VAL CB . 31058 1 485 . 1 . 1 55 55 VAL CG1 C 13 22.671 0.062 . . . . . . A 257 VAL CG1 . 31058 1 486 . 1 . 1 55 55 VAL CG2 C 13 22.265 0.245 . . . . . . A 257 VAL CG2 . 31058 1 487 . 1 . 1 55 55 VAL N N 15 117.284 0.059 . . . . . . A 257 VAL N . 31058 1 488 . 1 . 1 56 56 ALA H H 1 7.926 0.016 . . . . . . A 258 ALA H . 31058 1 489 . 1 . 1 56 56 ALA HA H 1 3.953 0.018 . . . . . . A 258 ALA HA . 31058 1 490 . 1 . 1 56 56 ALA HB1 H 1 1.449 0.01 . . . . . . A 258 ALA HB1 . 31058 1 491 . 1 . 1 56 56 ALA HB2 H 1 1.449 0.01 . . . . . . A 258 ALA HB2 . 31058 1 492 . 1 . 1 56 56 ALA HB3 H 1 1.449 0.01 . . . . . . A 258 ALA HB3 . 31058 1 493 . 1 . 1 56 56 ALA C C 13 178.769 0.01 . . . . . . A 258 ALA C . 31058 1 494 . 1 . 1 56 56 ALA CA C 13 54.712 0.043 . . . . . . A 258 ALA CA . 31058 1 495 . 1 . 1 56 56 ALA CB C 13 18.659 0.059 . . . . . . A 258 ALA CB . 31058 1 496 . 1 . 1 56 56 ALA N N 15 119.631 0.043 . . . . . . A 258 ALA N . 31058 1 497 . 1 . 1 57 57 GLU H H 1 7.592 0.01 . . . . . . A 259 GLU H . 31058 1 498 . 1 . 1 57 57 GLU HA H 1 4.263 0.011 . . . . . . A 259 GLU HA . 31058 1 499 . 1 . 1 57 57 GLU HB2 H 1 2.086 0.01 . . . . . . A 259 GLU HB2 . 31058 1 500 . 1 . 1 57 57 GLU HG2 H 1 2.211 0.01 . . . . . . A 259 GLU HG2 . 31058 1 501 . 1 . 1 57 57 GLU C C 13 177.3 0.01 . . . . . . A 259 GLU C . 31058 1 502 . 1 . 1 57 57 GLU CA C 13 57.203 0.056 . . . . . . A 259 GLU CA . 31058 1 503 . 1 . 1 57 57 GLU CB C 13 29.578 0.01 . . . . . . A 259 GLU CB . 31058 1 504 . 1 . 1 57 57 GLU CG C 13 36.039 0.01 . . . . . . A 259 GLU CG . 31058 1 505 . 1 . 1 57 57 GLU N N 15 113.471 0.108 . . . . . . A 259 GLU N . 31058 1 506 . 1 . 1 58 58 ILE H H 1 7.667 0.011 . . . . . . A 260 ILE H . 31058 1 507 . 1 . 1 58 58 ILE HA H 1 4.176 0.017 . . . . . . A 260 ILE HA . 31058 1 508 . 1 . 1 58 58 ILE HB H 1 1.907 0.015 . . . . . . A 260 ILE HB . 31058 1 509 . 1 . 1 58 58 ILE HG13 H 1 1.316 0.025 . . . . . . A 260 ILE HG13 . 31058 1 510 . 1 . 1 58 58 ILE HG21 H 1 0.913 0.013 . . . . . . A 260 ILE HG21 . 31058 1 511 . 1 . 1 58 58 ILE HG22 H 1 0.913 0.013 . . . . . . A 260 ILE HG22 . 31058 1 512 . 1 . 1 58 58 ILE HG23 H 1 0.913 0.013 . . . . . . A 260 ILE HG23 . 31058 1 513 . 1 . 1 58 58 ILE HD11 H 1 0.781 0.015 . . . . . . A 260 ILE HD11 . 31058 1 514 . 1 . 1 58 58 ILE HD12 H 1 0.781 0.015 . . . . . . A 260 ILE HD12 . 31058 1 515 . 1 . 1 58 58 ILE HD13 H 1 0.781 0.015 . . . . . . A 260 ILE HD13 . 31058 1 516 . 1 . 1 58 58 ILE C C 13 175.556 0.01 . . . . . . A 260 ILE C . 31058 1 517 . 1 . 1 58 58 ILE CA C 13 61.911 0.066 . . . . . . A 260 ILE CA . 31058 1 518 . 1 . 1 58 58 ILE CB C 13 38.515 0.01 . . . . . . A 260 ILE CB . 31058 1 519 . 1 . 1 58 58 ILE CG1 C 13 28.268 0.01 . . . . . . A 260 ILE CG1 . 31058 1 520 . 1 . 1 58 58 ILE CG2 C 13 18.203 0.031 . . . . . . A 260 ILE CG2 . 31058 1 521 . 1 . 1 58 58 ILE CD1 C 13 13.652 0.265 . . . . . . A 260 ILE CD1 . 31058 1 522 . 1 . 1 58 58 ILE N N 15 113.926 0.096 . . . . . . A 260 ILE N . 31058 1 523 . 1 . 1 59 59 MET H H 1 7.648 0.015 . . . . . . A 261 MET H . 31058 1 524 . 1 . 1 59 59 MET HA H 1 4.567 0.014 . . . . . . A 261 MET HA . 31058 1 525 . 1 . 1 59 59 MET HB2 H 1 2.018 0.018 . . . . . . A 261 MET HB2 . 31058 1 526 . 1 . 1 59 59 MET HG2 H 1 2.564 0.018 . . . . . . A 261 MET HG2 . 31058 1 527 . 1 . 1 59 59 MET HE1 H 1 1.979 0.01 . . . . . . A 261 MET HE1 . 31058 1 528 . 1 . 1 59 59 MET HE2 H 1 1.979 0.01 . . . . . . A 261 MET HE2 . 31058 1 529 . 1 . 1 59 59 MET HE3 H 1 1.979 0.01 . . . . . . A 261 MET HE3 . 31058 1 530 . 1 . 1 59 59 MET CA C 13 54.317 0.042 . . . . . . A 261 MET CA . 31058 1 531 . 1 . 1 59 59 MET CB C 13 33.005 0.01 . . . . . . A 261 MET CB . 31058 1 532 . 1 . 1 59 59 MET CG C 13 32.806 0.01 . . . . . . A 261 MET CG . 31058 1 533 . 1 . 1 59 59 MET CE C 13 17.395 0.01 . . . . . . A 261 MET CE . 31058 1 534 . 1 . 1 59 59 MET N N 15 119.885 0.103 . . . . . . A 261 MET N . 31058 1 535 . 1 . 1 60 60 PRO HA H 1 4.465 0.01 . . . . . . A 262 PRO HA . 31058 1 536 . 1 . 1 60 60 PRO HB2 H 1 1.909 0.017 . . . . . . A 262 PRO HB2 . 31058 1 537 . 1 . 1 60 60 PRO HB3 H 1 2.287 0.014 . . . . . . A 262 PRO HB3 . 31058 1 538 . 1 . 1 60 60 PRO HD3 H 1 3.609 0.015 . . . . . . A 262 PRO HD3 . 31058 1 539 . 1 . 1 60 60 PRO C C 13 176.874 0.01 . . . . . . A 262 PRO C . 31058 1 540 . 1 . 1 60 60 PRO CA C 13 63.525 0.028 . . . . . . A 262 PRO CA . 31058 1 541 . 1 . 1 60 60 PRO CB C 13 31.232 0.011 . . . . . . A 262 PRO CB . 31058 1 542 . 1 . 1 60 60 PRO CD C 13 50.595 0.01 . . . . . . A 262 PRO CD . 31058 1 543 . 1 . 1 61 61 SER H H 1 8.329 0.017 . . . . . . A 263 SER H . 31058 1 544 . 1 . 1 61 61 SER HA H 1 4.476 0.02 . . . . . . A 263 SER HA . 31058 1 545 . 1 . 1 61 61 SER HB2 H 1 3.87 0.01 . . . . . . A 263 SER HB2 . 31058 1 546 . 1 . 1 61 61 SER C C 13 174.979 0.01 . . . . . . A 263 SER C . 31058 1 547 . 1 . 1 61 61 SER CA C 13 58.527 0.022 . . . . . . A 263 SER CA . 31058 1 548 . 1 . 1 61 61 SER CB C 13 63.554 0.01 . . . . . . A 263 SER CB . 31058 1 549 . 1 . 1 61 61 SER N N 15 115.321 0.048 . . . . . . A 263 SER N . 31058 1 550 . 1 . 1 62 62 THR H H 1 8.013 0.015 . . . . . . A 264 THR H . 31058 1 551 . 1 . 1 62 62 THR HA H 1 4.407 0.013 . . . . . . A 264 THR HA . 31058 1 552 . 1 . 1 62 62 THR HG21 H 1 1.177 0.017 . . . . . . A 264 THR HG21 . 31058 1 553 . 1 . 1 62 62 THR HG22 H 1 1.177 0.017 . . . . . . A 264 THR HG22 . 31058 1 554 . 1 . 1 62 62 THR HG23 H 1 1.177 0.017 . . . . . . A 264 THR HG23 . 31058 1 555 . 1 . 1 62 62 THR C C 13 174.765 0.01 . . . . . . A 264 THR C . 31058 1 556 . 1 . 1 62 62 THR CA C 13 61.995 0.048 . . . . . . A 264 THR CA . 31058 1 557 . 1 . 1 62 62 THR CG2 C 13 21.888 0.028 . . . . . . A 264 THR CG2 . 31058 1 558 . 1 . 1 62 62 THR N N 15 114.442 0.163 . . . . . . A 264 THR N . 31058 1 559 . 1 . 1 63 63 SER H H 1 8.184 0.016 . . . . . . A 265 SER H . 31058 1 560 . 1 . 1 63 63 SER HA H 1 4.404 0.012 . . . . . . A 265 SER HA . 31058 1 561 . 1 . 1 63 63 SER HB2 H 1 3.848 0.01 . . . . . . A 265 SER HB2 . 31058 1 562 . 1 . 1 63 63 SER C C 13 174.351 0.01 . . . . . . A 265 SER C . 31058 1 563 . 1 . 1 63 63 SER CA C 13 58.748 0.079 . . . . . . A 265 SER CA . 31058 1 564 . 1 . 1 63 63 SER CB C 13 63.992 0.01 . . . . . . A 265 SER CB . 31058 1 565 . 1 . 1 63 63 SER N N 15 116.611 0.063 . . . . . . A 265 SER N . 31058 1 566 . 1 . 1 64 64 ASP H H 1 8.168 0.014 . . . . . . A 266 ASP H . 31058 1 567 . 1 . 1 64 64 ASP HA H 1 4.504 0.015 . . . . . . A 266 ASP HA . 31058 1 568 . 1 . 1 64 64 ASP HB2 H 1 2.684 0.02 . . . . . . A 266 ASP HB2 . 31058 1 569 . 1 . 1 64 64 ASP C C 13 176.016 0.01 . . . . . . A 266 ASP C . 31058 1 570 . 1 . 1 64 64 ASP CA C 13 54.587 0.045 . . . . . . A 266 ASP CA . 31058 1 571 . 1 . 1 64 64 ASP CB C 13 41.293 0.01 . . . . . . A 266 ASP CB . 31058 1 572 . 1 . 1 64 64 ASP N N 15 121.683 0.105 . . . . . . A 266 ASP N . 31058 1 573 . 1 . 1 65 65 SER H H 1 8.007 0.014 . . . . . . A 267 SER H . 31058 1 574 . 1 . 1 65 65 SER HA H 1 4.429 0.016 . . . . . . A 267 SER HA . 31058 1 575 . 1 . 1 65 65 SER HB2 H 1 3.861 0.012 . . . . . . A 267 SER HB2 . 31058 1 576 . 1 . 1 65 65 SER C C 13 174.398 0.01 . . . . . . A 267 SER C . 31058 1 577 . 1 . 1 65 65 SER CA C 13 58.612 0.03 . . . . . . A 267 SER CA . 31058 1 578 . 1 . 1 65 65 SER CB C 13 63.992 0.01 . . . . . . A 267 SER CB . 31058 1 579 . 1 . 1 65 65 SER N N 15 114.879 0.127 . . . . . . A 267 SER N . 31058 1 580 . 1 . 1 66 66 SER H H 1 8.213 0.019 . . . . . . A 268 SER H . 31058 1 581 . 1 . 1 66 66 SER HA H 1 4.684 0.016 . . . . . . A 268 SER HA . 31058 1 582 . 1 . 1 66 66 SER HB2 H 1 3.889 0.015 . . . . . . A 268 SER HB2 . 31058 1 583 . 1 . 1 66 66 SER CA C 13 57.401 0.019 . . . . . . A 268 SER CA . 31058 1 584 . 1 . 1 66 66 SER CB C 13 64.027 0.01 . . . . . . A 268 SER CB . 31058 1 585 . 1 . 1 66 66 SER N N 15 118.039 0.104 . . . . . . A 268 SER N . 31058 1 586 . 1 . 1 67 67 PRO HA H 1 4.373 0.01 . . . . . . A 269 PRO HA . 31058 1 587 . 1 . 1 67 67 PRO HB2 H 1 2.183 0.01 . . . . . . A 269 PRO HB2 . 31058 1 588 . 1 . 1 67 67 PRO HD2 H 1 3.486 0.01 . . . . . . A 269 PRO HD2 . 31058 1 589 . 1 . 1 67 67 PRO HD3 H 1 3.567 0.012 . . . . . . A 269 PRO HD3 . 31058 1 590 . 1 . 1 67 67 PRO C C 13 177.094 0.01 . . . . . . A 269 PRO C . 31058 1 591 . 1 . 1 67 67 PRO CA C 13 63.92 0.046 . . . . . . A 269 PRO CA . 31058 1 592 . 1 . 1 67 67 PRO CB C 13 31.275 0.01 . . . . . . A 269 PRO CB . 31058 1 593 . 1 . 1 67 67 PRO CD C 13 50.427 0.01 . . . . . . A 269 PRO CD . 31058 1 594 . 1 . 1 68 68 SER H H 1 8.064 0.015 . . . . . . A 270 SER H . 31058 1 595 . 1 . 1 68 68 SER HA H 1 4.437 0.01 . . . . . . A 270 SER HA . 31058 1 596 . 1 . 1 68 68 SER HB2 H 1 3.872 0.011 . . . . . . A 270 SER HB2 . 31058 1 597 . 1 . 1 68 68 SER C C 13 175.206 0.01 . . . . . . A 270 SER C . 31058 1 598 . 1 . 1 68 68 SER CA C 13 58.83 0.016 . . . . . . A 270 SER CA . 31058 1 599 . 1 . 1 68 68 SER CB C 13 63.768 0.01 . . . . . . A 270 SER CB . 31058 1 600 . 1 . 1 68 68 SER N N 15 115.294 0.152 . . . . . . A 270 SER N . 31058 1 601 . 1 . 1 69 69 ILE H H 1 8.490 0.018 . . . . . . A 271 ILE H . 31058 1 602 . 1 . 1 69 69 ILE HA H 1 3.947 0.018 . . . . . . A 271 ILE HA . 31058 1 603 . 1 . 1 69 69 ILE HB H 1 1.933 0.015 . . . . . . A 271 ILE HB . 31058 1 604 . 1 . 1 69 69 ILE HG12 H 1 1.652 0.013 . . . . . . A 271 ILE HG12 . 31058 1 605 . 1 . 1 69 69 ILE HG13 H 1 1.28 0.015 . . . . . . A 271 ILE HG13 . 31058 1 606 . 1 . 1 69 69 ILE HG21 H 1 0.953 0.017 . . . . . . A 271 ILE HG21 . 31058 1 607 . 1 . 1 69 69 ILE HG22 H 1 0.953 0.017 . . . . . . A 271 ILE HG22 . 31058 1 608 . 1 . 1 69 69 ILE HG23 H 1 0.953 0.017 . . . . . . A 271 ILE HG23 . 31058 1 609 . 1 . 1 69 69 ILE HD11 H 1 0.91 0.019 . . . . . . A 271 ILE HD11 . 31058 1 610 . 1 . 1 69 69 ILE HD12 H 1 0.91 0.019 . . . . . . A 271 ILE HD12 . 31058 1 611 . 1 . 1 69 69 ILE HD13 H 1 0.91 0.019 . . . . . . A 271 ILE HD13 . 31058 1 612 . 1 . 1 69 69 ILE C C 13 177.493 0.01 . . . . . . A 271 ILE C . 31058 1 613 . 1 . 1 69 69 ILE CA C 13 64.525 0.019 . . . . . . A 271 ILE CA . 31058 1 614 . 1 . 1 69 69 ILE CB C 13 37.602 0.01 . . . . . . A 271 ILE CB . 31058 1 615 . 1 . 1 69 69 ILE CG1 C 13 28.483 0.075 . . . . . . A 271 ILE CG1 . 31058 1 616 . 1 . 1 69 69 ILE CG2 C 13 17.843 0.122 . . . . . . A 271 ILE CG2 . 31058 1 617 . 1 . 1 69 69 ILE CD1 C 13 13.365 0.049 . . . . . . A 271 ILE CD1 . 31058 1 618 . 1 . 1 69 69 ILE N N 15 122.411 0.058 . . . . . . A 271 ILE N . 31058 1 619 . 1 . 1 70 70 ALA H H 1 8.314 0.019 . . . . . . A 272 ALA H . 31058 1 620 . 1 . 1 70 70 ALA HA H 1 3.964 0.02 . . . . . . A 272 ALA HA . 31058 1 621 . 1 . 1 70 70 ALA HB1 H 1 1.409 0.019 . . . . . . A 272 ALA HB1 . 31058 1 622 . 1 . 1 70 70 ALA HB2 H 1 1.409 0.019 . . . . . . A 272 ALA HB2 . 31058 1 623 . 1 . 1 70 70 ALA HB3 H 1 1.409 0.019 . . . . . . A 272 ALA HB3 . 31058 1 624 . 1 . 1 70 70 ALA C C 13 179.564 0.01 . . . . . . A 272 ALA C . 31058 1 625 . 1 . 1 70 70 ALA CA C 13 55.603 0.09 . . . . . . A 272 ALA CA . 31058 1 626 . 1 . 1 70 70 ALA CB C 13 18.255 0.074 . . . . . . A 272 ALA CB . 31058 1 627 . 1 . 1 70 70 ALA N N 15 122.756 0.16 . . . . . . A 272 ALA N . 31058 1 628 . 1 . 1 71 71 GLN H H 1 7.973 0.014 . . . . . . A 273 GLN H . 31058 1 629 . 1 . 1 71 71 GLN HA H 1 3.954 0.016 . . . . . . A 273 GLN HA . 31058 1 630 . 1 . 1 71 71 GLN HB2 H 1 2.188 0.012 . . . . . . A 273 GLN HB2 . 31058 1 631 . 1 . 1 71 71 GLN HG2 H 1 2.262 0.025 . . . . . . A 273 GLN HG2 . 31058 1 632 . 1 . 1 71 71 GLN HE21 H 1 7.399 0.013 . . . . . . A 273 GLN HE21 . 31058 1 633 . 1 . 1 71 71 GLN HE22 H 1 6.729 0.014 . . . . . . A 273 GLN HE22 . 31058 1 634 . 1 . 1 71 71 GLN CA C 13 59.229 0.059 . . . . . . A 273 GLN CA . 31058 1 635 . 1 . 1 71 71 GLN CB C 13 28.648 0.01 . . . . . . A 273 GLN CB . 31058 1 636 . 1 . 1 71 71 GLN CG C 13 34.336 0.01 . . . . . . A 273 GLN CG . 31058 1 637 . 1 . 1 71 71 GLN N N 15 116.925 0.118 . . . . . . A 273 GLN N . 31058 1 638 . 1 . 1 71 71 GLN NE2 N 15 111.637 0.017 . . . . . . A 273 GLN NE2 . 31058 1 639 . 1 . 1 72 72 TYR H H 1 8.262 0.019 . . . . . . A 274 TYR H . 31058 1 640 . 1 . 1 72 72 TYR HA H 1 4.191 0.011 . . . . . . A 274 TYR HA . 31058 1 641 . 1 . 1 72 72 TYR HB2 H 1 3.292 0.017 . . . . . . A 274 TYR HB2 . 31058 1 642 . 1 . 1 72 72 TYR HB3 H 1 3.045 0.014 . . . . . . A 274 TYR HB3 . 31058 1 643 . 1 . 1 72 72 TYR HD1 H 1 7.115 0.018 . . . . . . A 274 TYR HD1 . 31058 1 644 . 1 . 1 72 72 TYR HE1 H 1 6.778 0.013 . . . . . . A 274 TYR HE1 . 31058 1 645 . 1 . 1 72 72 TYR C C 13 179.414 0.01 . . . . . . A 274 TYR C . 31058 1 646 . 1 . 1 72 72 TYR CA C 13 61.653 0.093 . . . . . . A 274 TYR CA . 31058 1 647 . 1 . 1 72 72 TYR CB C 13 38.376 0.021 . . . . . . A 274 TYR CB . 31058 1 648 . 1 . 1 72 72 TYR CD1 C 13 133.253 0.137 . . . . . . A 274 TYR CD1 . 31058 1 649 . 1 . 1 72 72 TYR CE1 C 13 118.199 0.035 . . . . . . A 274 TYR CE1 . 31058 1 650 . 1 . 1 72 72 TYR N N 15 120.261 0.187 . . . . . . A 274 TYR N . 31058 1 651 . 1 . 1 73 73 PHE H H 1 8.695 0.014 . . . . . . A 275 PHE H . 31058 1 652 . 1 . 1 73 73 PHE HA H 1 4.168 0.014 . . . . . . A 275 PHE HA . 31058 1 653 . 1 . 1 73 73 PHE HB2 H 1 3.086 0.014 . . . . . . A 275 PHE HB2 . 31058 1 654 . 1 . 1 73 73 PHE HD1 H 1 7 0.02 . . . . . . A 275 PHE HD1 . 31058 1 655 . 1 . 1 73 73 PHE HE1 H 1 7.003 0.031 . . . . . . A 275 PHE HE1 . 31058 1 656 . 1 . 1 73 73 PHE C C 13 177.647 0.01 . . . . . . A 275 PHE C . 31058 1 657 . 1 . 1 73 73 PHE CA C 13 61.315 0.076 . . . . . . A 275 PHE CA . 31058 1 658 . 1 . 1 73 73 PHE CB C 13 38.365 0.01 . . . . . . A 275 PHE CB . 31058 1 659 . 1 . 1 73 73 PHE CD1 C 13 131.232 0.014 . . . . . . A 275 PHE CD1 . 31058 1 660 . 1 . 1 73 73 PHE N N 15 120.938 0.049 . . . . . . A 275 PHE N . 31058 1 661 . 1 . 1 74 74 ALA H H 1 8.609 0.012 . . . . . . A 276 ALA H . 31058 1 662 . 1 . 1 74 74 ALA HA H 1 3.861 0.01 . . . . . . A 276 ALA HA . 31058 1 663 . 1 . 1 74 74 ALA HB1 H 1 1.508 0.019 . . . . . . A 276 ALA HB1 . 31058 1 664 . 1 . 1 74 74 ALA HB2 H 1 1.508 0.019 . . . . . . A 276 ALA HB2 . 31058 1 665 . 1 . 1 74 74 ALA HB3 H 1 1.508 0.019 . . . . . . A 276 ALA HB3 . 31058 1 666 . 1 . 1 74 74 ALA C C 13 179.197 0.01 . . . . . . A 276 ALA C . 31058 1 667 . 1 . 1 74 74 ALA CA C 13 55.902 0.075 . . . . . . A 276 ALA CA . 31058 1 668 . 1 . 1 74 74 ALA CB C 13 18.689 0.134 . . . . . . A 276 ALA CB . 31058 1 669 . 1 . 1 74 74 ALA N N 15 120.926 0.106 . . . . . . A 276 ALA N . 31058 1 670 . 1 . 1 75 75 SER H H 1 8.267 0.019 . . . . . . A 277 SER H . 31058 1 671 . 1 . 1 75 75 SER HA H 1 4.009 0.019 . . . . . . A 277 SER HA . 31058 1 672 . 1 . 1 75 75 SER CA C 13 63.448 0.055 . . . . . . A 277 SER CA . 31058 1 673 . 1 . 1 75 75 SER N N 15 111.815 0.103 . . . . . . A 277 SER N . 31058 1 674 . 1 . 1 76 76 THR H H 1 8.184 0.011 . . . . . . A 278 THR H . 31058 1 675 . 1 . 1 76 76 THR HA H 1 3.444 0.019 . . . . . . A 278 THR HA . 31058 1 676 . 1 . 1 76 76 THR HG21 H 1 1.116 0.017 . . . . . . A 278 THR HG21 . 31058 1 677 . 1 . 1 76 76 THR HG22 H 1 1.116 0.017 . . . . . . A 278 THR HG22 . 31058 1 678 . 1 . 1 76 76 THR HG23 H 1 1.116 0.017 . . . . . . A 278 THR HG23 . 31058 1 679 . 1 . 1 76 76 THR C C 13 176.476 0.01 . . . . . . A 278 THR C . 31058 1 680 . 1 . 1 76 76 THR CA C 13 67.971 0.035 . . . . . . A 278 THR CA . 31058 1 681 . 1 . 1 76 76 THR CG2 C 13 21.907 0.034 . . . . . . A 278 THR CG2 . 31058 1 682 . 1 . 1 76 76 THR N N 15 115.733 0.064 . . . . . . A 278 THR N . 31058 1 683 . 1 . 1 77 77 MET H H 1 8.180 0.018 . . . . . . A 279 MET H . 31058 1 684 . 1 . 1 77 77 MET HA H 1 4.054 0.016 . . . . . . A 279 MET HA . 31058 1 685 . 1 . 1 77 77 MET HB2 H 1 1.946 0.019 . . . . . . A 279 MET HB2 . 31058 1 686 . 1 . 1 77 77 MET HG2 H 1 2.532 0.011 . . . . . . A 279 MET HG2 . 31058 1 687 . 1 . 1 77 77 MET HG3 H 1 2.644 0.02 . . . . . . A 279 MET HG3 . 31058 1 688 . 1 . 1 77 77 MET CA C 13 59.326 0.015 . . . . . . A 279 MET CA . 31058 1 689 . 1 . 1 77 77 MET CB C 13 31.995 0.01 . . . . . . A 279 MET CB . 31058 1 690 . 1 . 1 77 77 MET CG C 13 33.269 0.036 . . . . . . A 279 MET CG . 31058 1 691 . 1 . 1 77 77 MET N N 15 119.244 0.056 . . . . . . A 279 MET N . 31058 1 692 . 1 . 1 78 78 ILE H H 1 8.203 0.018 . . . . . . A 280 ILE H . 31058 1 693 . 1 . 1 78 78 ILE HA H 1 3.478 0.019 . . . . . . A 280 ILE HA . 31058 1 694 . 1 . 1 78 78 ILE HB H 1 1.833 0.01 . . . . . . A 280 ILE HB . 31058 1 695 . 1 . 1 78 78 ILE HG21 H 1 0.812 0.011 . . . . . . A 280 ILE HG21 . 31058 1 696 . 1 . 1 78 78 ILE HG22 H 1 0.812 0.011 . . . . . . A 280 ILE HG22 . 31058 1 697 . 1 . 1 78 78 ILE HG23 H 1 0.812 0.011 . . . . . . A 280 ILE HG23 . 31058 1 698 . 1 . 1 78 78 ILE HD11 H 1 0.704 0.018 . . . . . . A 280 ILE HD11 . 31058 1 699 . 1 . 1 78 78 ILE HD12 H 1 0.704 0.018 . . . . . . A 280 ILE HD12 . 31058 1 700 . 1 . 1 78 78 ILE HD13 H 1 0.704 0.018 . . . . . . A 280 ILE HD13 . 31058 1 701 . 1 . 1 78 78 ILE CA C 13 65.845 0.083 . . . . . . A 280 ILE CA . 31058 1 702 . 1 . 1 78 78 ILE CB C 13 37.387 0.01 . . . . . . A 280 ILE CB . 31058 1 703 . 1 . 1 78 78 ILE CG2 C 13 17.679 0.07 . . . . . . A 280 ILE CG2 . 31058 1 704 . 1 . 1 78 78 ILE CD1 C 13 13.127 0.158 . . . . . . A 280 ILE CD1 . 31058 1 705 . 1 . 1 78 78 ILE N N 15 119.328 0.012 . . . . . . A 280 ILE N . 31058 1 706 . 1 . 1 79 79 ILE H H 1 8.162 0.016 . . . . . . A 281 ILE H . 31058 1 707 . 1 . 1 79 79 ILE HA H 1 3.686 0.016 . . . . . . A 281 ILE HA . 31058 1 708 . 1 . 1 79 79 ILE HB H 1 1.853 0.01 . . . . . . A 281 ILE HB . 31058 1 709 . 1 . 1 79 79 ILE HG21 H 1 0.839 0.016 . . . . . . A 281 ILE HG21 . 31058 1 710 . 1 . 1 79 79 ILE HG22 H 1 0.839 0.016 . . . . . . A 281 ILE HG22 . 31058 1 711 . 1 . 1 79 79 ILE HG23 H 1 0.839 0.016 . . . . . . A 281 ILE HG23 . 31058 1 712 . 1 . 1 79 79 ILE HD11 H 1 0.832 0.016 . . . . . . A 281 ILE HD11 . 31058 1 713 . 1 . 1 79 79 ILE HD12 H 1 0.832 0.016 . . . . . . A 281 ILE HD12 . 31058 1 714 . 1 . 1 79 79 ILE HD13 H 1 0.832 0.016 . . . . . . A 281 ILE HD13 . 31058 1 715 . 1 . 1 79 79 ILE C C 13 178.115 0.01 . . . . . . A 281 ILE C . 31058 1 716 . 1 . 1 79 79 ILE CA C 13 66.007 0.024 . . . . . . A 281 ILE CA . 31058 1 717 . 1 . 1 79 79 ILE CB C 13 37.386 0.01 . . . . . . A 281 ILE CB . 31058 1 718 . 1 . 1 79 79 ILE CG2 C 13 17.724 0.012 . . . . . . A 281 ILE CG2 . 31058 1 719 . 1 . 1 79 79 ILE CD1 C 13 13.33 0.076 . . . . . . A 281 ILE CD1 . 31058 1 720 . 1 . 1 79 79 ILE N N 15 119.686 0.043 . . . . . . A 281 ILE N . 31058 1 721 . 1 . 1 80 80 VAL H H 1 8.289 0.014 . . . . . . A 282 VAL H . 31058 1 722 . 1 . 1 80 80 VAL HA H 1 3.675 0.013 . . . . . . A 282 VAL HA . 31058 1 723 . 1 . 1 80 80 VAL HB H 1 2.322 0.012 . . . . . . A 282 VAL HB . 31058 1 724 . 1 . 1 80 80 VAL HG11 H 1 1.023 0.02 . . . . . . A 282 VAL HG11 . 31058 1 725 . 1 . 1 80 80 VAL HG12 H 1 1.023 0.02 . . . . . . A 282 VAL HG12 . 31058 1 726 . 1 . 1 80 80 VAL HG13 H 1 1.023 0.02 . . . . . . A 282 VAL HG13 . 31058 1 727 . 1 . 1 80 80 VAL HG21 H 1 0.945 0.018 . . . . . . A 282 VAL HG21 . 31058 1 728 . 1 . 1 80 80 VAL HG22 H 1 0.945 0.018 . . . . . . A 282 VAL HG22 . 31058 1 729 . 1 . 1 80 80 VAL HG23 H 1 0.945 0.018 . . . . . . A 282 VAL HG23 . 31058 1 730 . 1 . 1 80 80 VAL CA C 13 67.149 0.041 . . . . . . A 282 VAL CA . 31058 1 731 . 1 . 1 80 80 VAL CB C 13 31.511 0.01 . . . . . . A 282 VAL CB . 31058 1 732 . 1 . 1 80 80 VAL CG1 C 13 23.355 0.234 . . . . . . A 282 VAL CG1 . 31058 1 733 . 1 . 1 80 80 VAL CG2 C 13 22.133 0.023 . . . . . . A 282 VAL CG2 . 31058 1 734 . 1 . 1 80 80 VAL N N 15 118.420 0.121 . . . . . . A 282 VAL N . 31058 1 735 . 1 . 1 81 81 GLY H H 1 8.663 0.011 . . . . . . A 283 GLY H . 31058 1 736 . 1 . 1 81 81 GLY HA2 H 1 3.621 0.019 . . . . . . A 283 GLY HA2 . 31058 1 737 . 1 . 1 81 81 GLY C C 13 174.948 0.01 . . . . . . A 283 GLY C . 31058 1 738 . 1 . 1 81 81 GLY CA C 13 48.004 0.151 . . . . . . A 283 GLY CA . 31058 1 739 . 1 . 1 81 81 GLY N N 15 107.159 0.073 . . . . . . A 283 GLY N . 31058 1 740 . 1 . 1 82 82 LEU H H 1 8.729 0.019 . . . . . . A 284 LEU H . 31058 1 741 . 1 . 1 82 82 LEU HA H 1 4.027 0.01 . . . . . . A 284 LEU HA . 31058 1 742 . 1 . 1 82 82 LEU HB2 H 1 1.603 0.014 . . . . . . A 284 LEU HB2 . 31058 1 743 . 1 . 1 82 82 LEU HD11 H 1 0.795 0.013 . . . . . . A 284 LEU HD11 . 31058 1 744 . 1 . 1 82 82 LEU HD12 H 1 0.795 0.013 . . . . . . A 284 LEU HD12 . 31058 1 745 . 1 . 1 82 82 LEU HD13 H 1 0.795 0.013 . . . . . . A 284 LEU HD13 . 31058 1 746 . 1 . 1 82 82 LEU C C 13 178.413 0.01 . . . . . . A 284 LEU C . 31058 1 747 . 1 . 1 82 82 LEU CA C 13 58.221 0.013 . . . . . . A 284 LEU CA . 31058 1 748 . 1 . 1 82 82 LEU CB C 13 42.275 0.01 . . . . . . A 284 LEU CB . 31058 1 749 . 1 . 1 82 82 LEU CD1 C 13 25.125 0.087 . . . . . . A 284 LEU CD1 . 31058 1 750 . 1 . 1 82 82 LEU N N 15 120.215 0.16 . . . . . . A 284 LEU N . 31058 1 751 . 1 . 1 83 83 SER H H 1 8.133 0.017 . . . . . . A 285 SER H . 31058 1 752 . 1 . 1 83 83 SER HA H 1 4.034 0.01 . . . . . . A 285 SER HA . 31058 1 753 . 1 . 1 83 83 SER CA C 13 63.693 0.011 . . . . . . A 285 SER CA . 31058 1 754 . 1 . 1 83 83 SER N N 15 115.661 0.079 . . . . . . A 285 SER N . 31058 1 755 . 1 . 1 84 84 VAL H H 1 8.505 0.018 . . . . . . A 286 VAL H . 31058 1 756 . 1 . 1 84 84 VAL HA H 1 3.558 0.013 . . . . . . A 286 VAL HA . 31058 1 757 . 1 . 1 84 84 VAL HG11 H 1 1.056 0.016 . . . . . . A 286 VAL HG11 . 31058 1 758 . 1 . 1 84 84 VAL HG12 H 1 1.056 0.016 . . . . . . A 286 VAL HG12 . 31058 1 759 . 1 . 1 84 84 VAL HG13 H 1 1.056 0.016 . . . . . . A 286 VAL HG13 . 31058 1 760 . 1 . 1 84 84 VAL CA C 13 67.677 0.078 . . . . . . A 286 VAL CA . 31058 1 761 . 1 . 1 84 84 VAL CG1 C 13 23.488 0.01 . . . . . . A 286 VAL CG1 . 31058 1 762 . 1 . 1 84 84 VAL N N 15 121.704 0.075 . . . . . . A 286 VAL N . 31058 1 763 . 1 . 1 85 85 VAL H H 1 8.469 0.018 . . . . . . A 287 VAL H . 31058 1 764 . 1 . 1 85 85 VAL HA H 1 3.441 0.01 . . . . . . A 287 VAL HA . 31058 1 765 . 1 . 1 85 85 VAL HB H 1 2.214 0.013 . . . . . . A 287 VAL HB . 31058 1 766 . 1 . 1 85 85 VAL HG11 H 1 1.004 0.018 . . . . . . A 287 VAL HG11 . 31058 1 767 . 1 . 1 85 85 VAL HG12 H 1 1.004 0.018 . . . . . . A 287 VAL HG12 . 31058 1 768 . 1 . 1 85 85 VAL HG13 H 1 1.004 0.018 . . . . . . A 287 VAL HG13 . 31058 1 769 . 1 . 1 85 85 VAL HG21 H 1 0.872 0.01 . . . . . . A 287 VAL HG21 . 31058 1 770 . 1 . 1 85 85 VAL HG22 H 1 0.872 0.01 . . . . . . A 287 VAL HG22 . 31058 1 771 . 1 . 1 85 85 VAL HG23 H 1 0.872 0.01 . . . . . . A 287 VAL HG23 . 31058 1 772 . 1 . 1 85 85 VAL C C 13 177.476 0.01 . . . . . . A 287 VAL C . 31058 1 773 . 1 . 1 85 85 VAL CA C 13 67.544 0.06 . . . . . . A 287 VAL CA . 31058 1 774 . 1 . 1 85 85 VAL CB C 13 31.383 0.01 . . . . . . A 287 VAL CB . 31058 1 775 . 1 . 1 85 85 VAL CG1 C 13 23.378 0.033 . . . . . . A 287 VAL CG1 . 31058 1 776 . 1 . 1 85 85 VAL CG2 C 13 21.606 0.02 . . . . . . A 287 VAL CG2 . 31058 1 777 . 1 . 1 85 85 VAL N N 15 116.844 0.021 . . . . . . A 287 VAL N . 31058 1 778 . 1 . 1 86 86 VAL H H 1 7.866 0.019 . . . . . . A 288 VAL H . 31058 1 779 . 1 . 1 86 86 VAL HA H 1 3.358 0.017 . . . . . . A 288 VAL HA . 31058 1 780 . 1 . 1 86 86 VAL HB H 1 2.215 0.012 . . . . . . A 288 VAL HB . 31058 1 781 . 1 . 1 86 86 VAL HG11 H 1 1.012 0.01 . . . . . . A 288 VAL HG11 . 31058 1 782 . 1 . 1 86 86 VAL HG12 H 1 1.012 0.01 . . . . . . A 288 VAL HG12 . 31058 1 783 . 1 . 1 86 86 VAL HG13 H 1 1.012 0.01 . . . . . . A 288 VAL HG13 . 31058 1 784 . 1 . 1 86 86 VAL HG21 H 1 0.913 0.013 . . . . . . A 288 VAL HG21 . 31058 1 785 . 1 . 1 86 86 VAL HG22 H 1 0.913 0.013 . . . . . . A 288 VAL HG22 . 31058 1 786 . 1 . 1 86 86 VAL HG23 H 1 0.913 0.013 . . . . . . A 288 VAL HG23 . 31058 1 787 . 1 . 1 86 86 VAL C C 13 177.915 0.01 . . . . . . A 288 VAL C . 31058 1 788 . 1 . 1 86 86 VAL CA C 13 67.618 0.055 . . . . . . A 288 VAL CA . 31058 1 789 . 1 . 1 86 86 VAL CB C 13 31.823 0.01 . . . . . . A 288 VAL CB . 31058 1 790 . 1 . 1 86 86 VAL CG1 C 13 23.395 0.05 . . . . . . A 288 VAL CG1 . 31058 1 791 . 1 . 1 86 86 VAL CG2 C 13 21.708 0.082 . . . . . . A 288 VAL CG2 . 31058 1 792 . 1 . 1 86 86 VAL N N 15 118.505 0.061 . . . . . . A 288 VAL N . 31058 1 793 . 1 . 1 87 87 THR H H 1 7.781 0.01 . . . . . . A 289 THR H . 31058 1 794 . 1 . 1 87 87 THR HA H 1 3.614 0.018 . . . . . . A 289 THR HA . 31058 1 795 . 1 . 1 87 87 THR HG21 H 1 1.074 0.011 . . . . . . A 289 THR HG21 . 31058 1 796 . 1 . 1 87 87 THR HG22 H 1 1.074 0.011 . . . . . . A 289 THR HG22 . 31058 1 797 . 1 . 1 87 87 THR HG23 H 1 1.074 0.011 . . . . . . A 289 THR HG23 . 31058 1 798 . 1 . 1 87 87 THR C C 13 175.144 0.01 . . . . . . A 289 THR C . 31058 1 799 . 1 . 1 87 87 THR CA C 13 68.841 0.261 . . . . . . A 289 THR CA . 31058 1 800 . 1 . 1 87 87 THR CG2 C 13 21.454 0.039 . . . . . . A 289 THR CG2 . 31058 1 801 . 1 . 1 87 87 THR N N 15 115.514 0.084 . . . . . . A 289 THR N . 31058 1 802 . 1 . 1 88 88 VAL H H 1 8.113 0.012 . . . . . . A 290 VAL H . 31058 1 803 . 1 . 1 88 88 VAL HA H 1 3.51 0.019 . . . . . . A 290 VAL HA . 31058 1 804 . 1 . 1 88 88 VAL HB H 1 2.133 0.012 . . . . . . A 290 VAL HB . 31058 1 805 . 1 . 1 88 88 VAL HG11 H 1 1.01 0.015 . . . . . . A 290 VAL HG11 . 31058 1 806 . 1 . 1 88 88 VAL HG12 H 1 1.01 0.015 . . . . . . A 290 VAL HG12 . 31058 1 807 . 1 . 1 88 88 VAL HG13 H 1 1.01 0.015 . . . . . . A 290 VAL HG13 . 31058 1 808 . 1 . 1 88 88 VAL HG21 H 1 0.938 0.014 . . . . . . A 290 VAL HG21 . 31058 1 809 . 1 . 1 88 88 VAL HG22 H 1 0.938 0.014 . . . . . . A 290 VAL HG22 . 31058 1 810 . 1 . 1 88 88 VAL HG23 H 1 0.938 0.014 . . . . . . A 290 VAL HG23 . 31058 1 811 . 1 . 1 88 88 VAL C C 13 177.125 0.01 . . . . . . A 290 VAL C . 31058 1 812 . 1 . 1 88 88 VAL CA C 13 67.571 0.087 . . . . . . A 290 VAL CA . 31058 1 813 . 1 . 1 88 88 VAL CB C 13 31.587 0.01 . . . . . . A 290 VAL CB . 31058 1 814 . 1 . 1 88 88 VAL CG1 C 13 23.537 0.028 . . . . . . A 290 VAL CG1 . 31058 1 815 . 1 . 1 88 88 VAL CG2 C 13 22.002 0.1 . . . . . . A 290 VAL CG2 . 31058 1 816 . 1 . 1 88 88 VAL N N 15 120.067 0.142 . . . . . . A 290 VAL N . 31058 1 817 . 1 . 1 89 89 ILE H H 1 8.418 0.017 . . . . . . A 291 ILE H . 31058 1 818 . 1 . 1 89 89 ILE HA H 1 3.971 0.017 . . . . . . A 291 ILE HA . 31058 1 819 . 1 . 1 89 89 ILE HB H 1 1.917 0.014 . . . . . . A 291 ILE HB . 31058 1 820 . 1 . 1 89 89 ILE HG13 H 1 1.3 0.017 . . . . . . A 291 ILE HG13 . 31058 1 821 . 1 . 1 89 89 ILE HG21 H 1 0.878 0.01 . . . . . . A 291 ILE HG21 . 31058 1 822 . 1 . 1 89 89 ILE HG22 H 1 0.878 0.01 . . . . . . A 291 ILE HG22 . 31058 1 823 . 1 . 1 89 89 ILE HG23 H 1 0.878 0.01 . . . . . . A 291 ILE HG23 . 31058 1 824 . 1 . 1 89 89 ILE C C 13 177.874 0.01 . . . . . . A 291 ILE C . 31058 1 825 . 1 . 1 89 89 ILE CA C 13 64.454 0.012 . . . . . . A 291 ILE CA . 31058 1 826 . 1 . 1 89 89 ILE CB C 13 37.881 0.01 . . . . . . A 291 ILE CB . 31058 1 827 . 1 . 1 89 89 ILE CG1 C 13 28.321 0.01 . . . . . . A 291 ILE CG1 . 31058 1 828 . 1 . 1 89 89 ILE CG2 C 13 17.815 0.066 . . . . . . A 291 ILE CG2 . 31058 1 829 . 1 . 1 89 89 ILE N N 15 118.971 0.326 . . . . . . A 291 ILE N . 31058 1 830 . 1 . 1 90 90 VAL H H 1 8.131 0.014 . . . . . . A 292 VAL H . 31058 1 831 . 1 . 1 90 90 VAL HA H 1 3.825 0.018 . . . . . . A 292 VAL HA . 31058 1 832 . 1 . 1 90 90 VAL HG21 H 1 0.897 0.015 . . . . . . A 292 VAL HG21 . 31058 1 833 . 1 . 1 90 90 VAL HG22 H 1 0.897 0.015 . . . . . . A 292 VAL HG22 . 31058 1 834 . 1 . 1 90 90 VAL HG23 H 1 0.897 0.015 . . . . . . A 292 VAL HG23 . 31058 1 835 . 1 . 1 90 90 VAL CA C 13 64.469 0.076 . . . . . . A 292 VAL CA . 31058 1 836 . 1 . 1 90 90 VAL CG2 C 13 21.526 0.1 . . . . . . A 292 VAL CG2 . 31058 1 837 . 1 . 1 90 90 VAL N N 15 119.004 0.128 . . . . . . A 292 VAL N . 31058 1 838 . 1 . 1 91 91 LEU H H 1 8.103 0.013 . . . . . . A 293 LEU H . 31058 1 839 . 1 . 1 91 91 LEU HA H 1 4.276 0.013 . . . . . . A 293 LEU HA . 31058 1 840 . 1 . 1 91 91 LEU HB2 H 1 1.847 0.019 . . . . . . A 293 LEU HB2 . 31058 1 841 . 1 . 1 91 91 LEU HD11 H 1 0.826 0.018 . . . . . . A 293 LEU HD11 . 31058 1 842 . 1 . 1 91 91 LEU HD12 H 1 0.826 0.018 . . . . . . A 293 LEU HD12 . 31058 1 843 . 1 . 1 91 91 LEU HD13 H 1 0.826 0.018 . . . . . . A 293 LEU HD13 . 31058 1 844 . 1 . 1 91 91 LEU CA C 13 56.45 0.014 . . . . . . A 293 LEU CA . 31058 1 845 . 1 . 1 91 91 LEU CB C 13 42.156 0.01 . . . . . . A 293 LEU CB . 31058 1 846 . 1 . 1 91 91 LEU CD1 C 13 24.602 0.067 . . . . . . A 293 LEU CD1 . 31058 1 847 . 1 . 1 91 91 LEU N N 15 120.214 0.076 . . . . . . A 293 LEU N . 31058 1 848 . 1 . 1 92 92 GLN HA H 1 4.218 0.01 . . . . . . A 294 GLN HA . 31058 1 849 . 1 . 1 92 92 GLN HB2 H 1 2.123 0.01 . . . . . . A 294 GLN HB2 . 31058 1 850 . 1 . 1 92 92 GLN HG2 H 1 2.34 0.01 . . . . . . A 294 GLN HG2 . 31058 1 851 . 1 . 1 92 92 GLN HE21 H 1 7.121 0.014 . . . . . . A 294 GLN HE21 . 31058 1 852 . 1 . 1 92 92 GLN HE22 H 1 6.577 0.013 . . . . . . A 294 GLN HE22 . 31058 1 853 . 1 . 1 92 92 GLN C C 13 175.901 0.01 . . . . . . A 294 GLN C . 31058 1 854 . 1 . 1 92 92 GLN CA C 13 57.581 0.064 . . . . . . A 294 GLN CA . 31058 1 855 . 1 . 1 92 92 GLN CB C 13 29.61 0.01 . . . . . . A 294 GLN CB . 31058 1 856 . 1 . 1 92 92 GLN CG C 13 34.006 0.01 . . . . . . A 294 GLN CG . 31058 1 857 . 1 . 1 92 92 GLN NE2 N 15 109.806 0.021 . . . . . . A 294 GLN NE2 . 31058 1 858 . 1 . 1 93 93 TYR H H 1 8.1 0.016 . . . . . . A 295 TYR H . 31058 1 859 . 1 . 1 93 93 TYR HA H 1 4.349 0.016 . . . . . . A 295 TYR HA . 31058 1 860 . 1 . 1 93 93 TYR HB2 H 1 2.718 0.016 . . . . . . A 295 TYR HB2 . 31058 1 861 . 1 . 1 93 93 TYR HB3 H 1 2.806 0.017 . . . . . . A 295 TYR HB3 . 31058 1 862 . 1 . 1 93 93 TYR HD1 H 1 6.966 0.02 . . . . . . A 295 TYR HD1 . 31058 1 863 . 1 . 1 93 93 TYR HE1 H 1 6.7 0.013 . . . . . . A 295 TYR HE1 . 31058 1 864 . 1 . 1 93 93 TYR C C 13 176.629 0.01 . . . . . . A 295 TYR C . 31058 1 865 . 1 . 1 93 93 TYR CA C 13 59.972 0.017 . . . . . . A 295 TYR CA . 31058 1 866 . 1 . 1 93 93 TYR CB C 13 39.004 0.017 . . . . . . A 295 TYR CB . 31058 1 867 . 1 . 1 93 93 TYR CD1 C 13 133.192 0.098 . . . . . . A 295 TYR CD1 . 31058 1 868 . 1 . 1 93 93 TYR CE1 C 13 118.131 0.054 . . . . . . A 295 TYR CE1 . 31058 1 869 . 1 . 1 93 93 TYR N N 15 119.718 0.114 . . . . . . A 295 TYR N . 31058 1 870 . 1 . 1 94 94 HIS H H 1 8.06 0.019 . . . . . . A 296 HIS H . 31058 1 871 . 1 . 1 94 94 HIS HA H 1 4.572 0.015 . . . . . . A 296 HIS HA . 31058 1 872 . 1 . 1 94 94 HIS HB2 H 1 3.135 0.01 . . . . . . A 296 HIS HB2 . 31058 1 873 . 1 . 1 94 94 HIS HB3 H 1 3.065 0.019 . . . . . . A 296 HIS HB3 . 31058 1 874 . 1 . 1 94 94 HIS HD2 H 1 7.195 0.011 . . . . . . A 296 HIS HD2 . 31058 1 875 . 1 . 1 94 94 HIS CA C 13 56.222 0.059 . . . . . . A 296 HIS CA . 31058 1 876 . 1 . 1 94 94 HIS CB C 13 29.778 0.014 . . . . . . A 296 HIS CB . 31058 1 877 . 1 . 1 94 94 HIS N N 15 122.371 0.07 . . . . . . A 296 HIS N . 31058 1 878 . 1 . 1 95 95 HIS H H 1 8.134 0.016 . . . . . . A 297 HIS H . 31058 1 879 . 1 . 1 95 95 HIS HA H 1 4.55 0.014 . . . . . . A 297 HIS HA . 31058 1 880 . 1 . 1 95 95 HIS HB2 H 1 3.129 0.016 . . . . . . A 297 HIS HB2 . 31058 1 881 . 1 . 1 95 95 HIS HB3 H 1 3.069 0.011 . . . . . . A 297 HIS HB3 . 31058 1 882 . 1 . 1 95 95 HIS CA C 13 56.096 0.04 . . . . . . A 297 HIS CA . 31058 1 883 . 1 . 1 95 95 HIS CB C 13 29.769 0.014 . . . . . . A 297 HIS CB . 31058 1 884 . 1 . 1 95 95 HIS N N 15 122.181 0.021 . . . . . . A 297 HIS N . 31058 1 885 . 1 . 1 96 96 HIS H H 1 8.406 0.005 . . . . . . A 298 HIS H . 31058 1 886 . 1 . 1 96 96 HIS HA H 1 4.558 0.013 . . . . . . A 298 HIS HA . 31058 1 887 . 1 . 1 96 96 HIS HB2 H 1 3.131 0.015 . . . . . . A 298 HIS HB2 . 31058 1 888 . 1 . 1 96 96 HIS HB3 H 1 3.077 0.016 . . . . . . A 298 HIS HB3 . 31058 1 889 . 1 . 1 96 96 HIS HD2 H 1 7.162 0.009 . . . . . . A 298 HIS HD2 . 31058 1 890 . 1 . 1 96 96 HIS C C 13 173.576 0.01 . . . . . . A 298 HIS C . 31058 1 891 . 1 . 1 96 96 HIS CA C 13 55.461 0.035 . . . . . . A 298 HIS CA . 31058 1 892 . 1 . 1 96 96 HIS CB C 13 29.778 0.014 . . . . . . A 298 HIS CB . 31058 1 893 . 1 . 1 96 96 HIS N N 15 120.776 0.112 . . . . . . A 298 HIS N . 31058 1 894 . 1 . 1 97 97 ASP H H 1 8.247 0.014 . . . . . . A 299 ASP H . 31058 1 895 . 1 . 1 97 97 ASP HA H 1 4.824 0.003 . . . . . . A 299 ASP HA . 31058 1 896 . 1 . 1 97 97 ASP CA C 13 52.331 0.193 . . . . . . A 299 ASP CA . 31058 1 897 . 1 . 1 97 97 ASP N N 15 122.938 0.012 . . . . . . A 299 ASP N . 31058 1 898 . 1 . 1 98 98 PRO HA H 1 4.334 0.016 . . . . . . A 300 PRO HA . 31058 1 899 . 1 . 1 98 98 PRO HB2 H 1 1.948 0.011 . . . . . . A 300 PRO HB2 . 31058 1 900 . 1 . 1 98 98 PRO C C 13 176.874 0 . . . . . . A 300 PRO C . 31058 1 901 . 1 . 1 98 98 PRO CA C 13 63.936 0.032 . . . . . . A 300 PRO CA . 31058 1 902 . 1 . 1 98 98 PRO CB C 13 31.778 0.032 . . . . . . A 300 PRO CB . 31058 1 903 . 1 . 1 99 99 ASP H H 1 8.196 0.008 . . . . . . A 301 ASP H . 31058 1 904 . 1 . 1 99 99 ASP HA H 1 4.588 0.024 . . . . . . A 301 ASP HA . 31058 1 905 . 1 . 1 99 99 ASP HB2 H 1 2.688 0.006 . . . . . . A 301 ASP HB2 . 31058 1 906 . 1 . 1 99 99 ASP HB3 H 1 2.672 0.005 . . . . . . A 301 ASP HB3 . 31058 1 907 . 1 . 1 99 99 ASP C C 13 176.984 0 . . . . . . A 301 ASP C . 31058 1 908 . 1 . 1 99 99 ASP CA C 13 54.308 0.124 . . . . . . A 301 ASP CA . 31058 1 909 . 1 . 1 99 99 ASP CB C 13 41.218 0.083 . . . . . . A 301 ASP CB . 31058 1 910 . 1 . 1 99 99 ASP N N 15 118.270 0.334 . . . . . . A 301 ASP N . 31058 1 911 . 1 . 1 100 100 GLY H H 1 8.093 0.006 . . . . . . A 302 GLY H . 31058 1 912 . 1 . 1 100 100 GLY HA2 H 1 3.872 0.002 . . . . . . A 302 GLY HA2 . 31058 1 913 . 1 . 1 100 100 GLY C C 13 174.88 0 . . . . . . A 302 GLY C . 31058 1 914 . 1 . 1 100 100 GLY CA C 13 46.027 0.101 . . . . . . A 302 GLY CA . 31058 1 915 . 1 . 1 100 100 GLY N N 15 108.762 0.088 . . . . . . A 302 GLY N . 31058 1 916 . 1 . 1 101 101 GLY H H 1 8.286 0.012 . . . . . . A 303 GLY H . 31058 1 917 . 1 . 1 101 101 GLY HA2 H 1 3.875 0.013 . . . . . . A 303 GLY HA2 . 31058 1 918 . 1 . 1 101 101 GLY C C 13 173.985 0 . . . . . . A 303 GLY C . 31058 1 919 . 1 . 1 101 101 GLY CA C 13 45.542 0.093 . . . . . . A 303 GLY CA . 31058 1 920 . 1 . 1 101 101 GLY N N 15 108.397 0.093 . . . . . . A 303 GLY N . 31058 1 921 . 1 . 1 102 102 LYS H H 1 7.882 0.004 . . . . . . A 304 LYS H . 31058 1 922 . 1 . 1 102 102 LYS HA H 1 4.189 0.025 . . . . . . A 304 LYS HA . 31058 1 923 . 1 . 1 102 102 LYS HB2 H 1 1.728 0.023 . . . . . . A 304 LYS HB2 . 31058 1 924 . 1 . 1 102 102 LYS CA C 13 55.879 0.001 . . . . . . A 304 LYS CA . 31058 1 925 . 1 . 1 102 102 LYS CB C 13 32.609 0.143 . . . . . . A 304 LYS CB . 31058 1 926 . 1 . 1 102 102 LYS N N 15 119.787 0.126 . . . . . . A 304 LYS N . 31058 1 927 . 1 . 1 103 103 MET H H 1 8.271 0.01 . . . . . . A 305 MET H . 31058 1 928 . 1 . 1 103 103 MET CA C 13 54.113 0.107 . . . . . . A 305 MET CA . 31058 1 929 . 1 . 1 103 103 MET N N 15 123.367 0.025 . . . . . . A 305 MET N . 31058 1 930 . 1 . 1 104 104 PRO C C 13 177.471 0 . . . . . . A 306 PRO C . 31058 1 931 . 1 . 1 104 104 PRO CA C 13 63.378 0.093 . . . . . . A 306 PRO CA . 31058 1 932 . 1 . 1 105 105 LYS H H 1 8.434 0.012 . . . . . . A 307 LYS H . 31058 1 933 . 1 . 1 105 105 LYS CA C 13 56.661 0.057 . . . . . . A 307 LYS CA . 31058 1 934 . 1 . 1 105 105 LYS N N 15 121.413 0.103 . . . . . . A 307 LYS N . 31058 1 935 . 1 . 1 106 106 TRP H H 1 7.700 0.012 . . . . . . A 308 TRP H . 31058 1 936 . 1 . 1 106 106 TRP HE1 H 1 10.726 0.026 . . . . . . A 308 TRP HE1 . 31058 1 937 . 1 . 1 106 106 TRP C C 13 177.483 0 . . . . . . A 308 TRP C . 31058 1 938 . 1 . 1 106 106 TRP CA C 13 58.458 0.041 . . . . . . A 308 TRP CA . 31058 1 939 . 1 . 1 106 106 TRP N N 15 118.131 0.072 . . . . . . A 308 TRP N . 31058 1 940 . 1 . 1 106 106 TRP NE1 N 15 131.839 0.079 . . . . . . A 308 TRP NE1 . 31058 1 941 . 1 . 1 107 107 THR H H 1 6.896 0.008 . . . . . . A 309 THR H . 31058 1 942 . 1 . 1 107 107 THR HA H 1 4.013 0.023 . . . . . . A 309 THR HA . 31058 1 943 . 1 . 1 107 107 THR C C 13 175.294 0 . . . . . . A 309 THR C . 31058 1 944 . 1 . 1 107 107 THR CA C 13 64.873 0.078 . . . . . . A 309 THR CA . 31058 1 945 . 1 . 1 107 107 THR N N 15 113.139 0.121 . . . . . . A 309 THR N . 31058 1 946 . 1 . 1 108 108 ARG H H 1 7.511 0.026 . . . . . . A 310 ARG H . 31058 1 947 . 1 . 1 108 108 ARG HA H 1 3.909 0.014 . . . . . . A 310 ARG HA . 31058 1 948 . 1 . 1 108 108 ARG HB2 H 1 1.886 0.017 . . . . . . A 310 ARG HB2 . 31058 1 949 . 1 . 1 108 108 ARG C C 13 177.549 0 . . . . . . A 310 ARG C . 31058 1 950 . 1 . 1 108 108 ARG CA C 13 59.493 0.067 . . . . . . A 310 ARG CA . 31058 1 951 . 1 . 1 108 108 ARG N N 15 120.981 0.185 . . . . . . A 310 ARG N . 31058 1 952 . 1 . 1 109 109 VAL H H 1 7.692 0.012 . . . . . . A 311 VAL H . 31058 1 953 . 1 . 1 109 109 VAL HA H 1 3.825 0.006 . . . . . . A 311 VAL HA . 31058 1 954 . 1 . 1 109 109 VAL HB H 1 2.194 0.02 . . . . . . A 311 VAL HB . 31058 1 955 . 1 . 1 109 109 VAL HG11 H 1 0.999 0.015 . . . . . . A 311 VAL HG11 . 31058 1 956 . 1 . 1 109 109 VAL HG12 H 1 0.999 0.015 . . . . . . A 311 VAL HG12 . 31058 1 957 . 1 . 1 109 109 VAL HG13 H 1 0.999 0.015 . . . . . . A 311 VAL HG13 . 31058 1 958 . 1 . 1 109 109 VAL C C 13 177.704 0 . . . . . . A 311 VAL C . 31058 1 959 . 1 . 1 109 109 VAL CA C 13 65.557 0.04 . . . . . . A 311 VAL CA . 31058 1 960 . 1 . 1 109 109 VAL N N 15 116.599 0.166 . . . . . . A 311 VAL N . 31058 1 961 . 1 . 1 110 110 ILE H H 1 7.386 0.015 . . . . . . A 312 ILE H . 31058 1 962 . 1 . 1 110 110 ILE HA H 1 3.858 0.019 . . . . . . A 312 ILE HA . 31058 1 963 . 1 . 1 110 110 ILE HB H 1 1.747 0.01 . . . . . . A 312 ILE HB . 31058 1 964 . 1 . 1 110 110 ILE HG21 H 1 0.569 0.002 . . . . . . A 312 ILE HG21 . 31058 1 965 . 1 . 1 110 110 ILE HG22 H 1 0.569 0.002 . . . . . . A 312 ILE HG22 . 31058 1 966 . 1 . 1 110 110 ILE HG23 H 1 0.569 0.002 . . . . . . A 312 ILE HG23 . 31058 1 967 . 1 . 1 110 110 ILE C C 13 176.812 0 . . . . . . A 312 ILE C . 31058 1 968 . 1 . 1 110 110 ILE CA C 13 64.093 0.099 . . . . . . A 312 ILE CA . 31058 1 969 . 1 . 1 110 110 ILE CG2 C 13 16.733 0.016 . . . . . . A 312 ILE CG2 . 31058 1 970 . 1 . 1 110 110 ILE N N 15 119.090 0.227 . . . . . . A 312 ILE N . 31058 1 971 . 1 . 1 111 111 LEU H H 1 7.686 0.01 . . . . . . A 313 LEU H . 31058 1 972 . 1 . 1 111 111 LEU HA H 1 4.088 0.021 . . . . . . A 313 LEU HA . 31058 1 973 . 1 . 1 111 111 LEU HB2 H 1 1.671 0.005 . . . . . . A 313 LEU HB2 . 31058 1 974 . 1 . 1 111 111 LEU HD11 H 1 0.852 0.008 . . . . . . A 313 LEU HD11 . 31058 1 975 . 1 . 1 111 111 LEU HD12 H 1 0.852 0.008 . . . . . . A 313 LEU HD12 . 31058 1 976 . 1 . 1 111 111 LEU HD13 H 1 0.852 0.008 . . . . . . A 313 LEU HD13 . 31058 1 977 . 1 . 1 111 111 LEU C C 13 177.988 0 . . . . . . A 313 LEU C . 31058 1 978 . 1 . 1 111 111 LEU CA C 13 57.842 0.166 . . . . . . A 313 LEU CA . 31058 1 979 . 1 . 1 111 111 LEU N N 15 118.604 0.186 . . . . . . A 313 LEU N . 31058 1 980 . 1 . 1 112 112 LEU H H 1 7.556 0.007 . . . . . . A 314 LEU H . 31058 1 981 . 1 . 1 112 112 LEU HA H 1 4.125 0.016 . . . . . . A 314 LEU HA . 31058 1 982 . 1 . 1 112 112 LEU C C 13 179.089 0 . . . . . . A 314 LEU C . 31058 1 983 . 1 . 1 112 112 LEU CA C 13 57.919 0.041 . . . . . . A 314 LEU CA . 31058 1 984 . 1 . 1 112 112 LEU N N 15 118.515 0.2 . . . . . . A 314 LEU N . 31058 1 985 . 1 . 1 113 113 ASN H H 1 7.961 0.011 . . . . . . A 315 ASN H . 31058 1 986 . 1 . 1 113 113 ASN HA H 1 4.581 0.015 . . . . . . A 315 ASN HA . 31058 1 987 . 1 . 1 113 113 ASN HB3 H 1 2.633 0.018 . . . . . . A 315 ASN HB3 . 31058 1 988 . 1 . 1 113 113 ASN CA C 13 55.791 0.217 . . . . . . A 315 ASN CA . 31058 1 989 . 1 . 1 113 113 ASN N N 15 117.929 0.224 . . . . . . A 315 ASN N . 31058 1 990 . 1 . 1 114 114 TRP HE1 H 1 10.193 0.019 . . . . . . A 316 TRP HE1 . 31058 1 991 . 1 . 1 114 114 TRP C C 13 176.588 0 . . . . . . A 316 TRP C . 31058 1 992 . 1 . 1 114 114 TRP CA C 13 59.698 0.21 . . . . . . A 316 TRP CA . 31058 1 993 . 1 . 1 114 114 TRP NE1 N 15 128.757 0.007 . . . . . . A 316 TRP NE1 . 31058 1 994 . 1 . 1 115 115 CYS H H 1 8.226 0.027 . . . . . . A 317 CYS H . 31058 1 995 . 1 . 1 115 115 CYS HA H 1 4.446 0.013 . . . . . . A 317 CYS HA . 31058 1 996 . 1 . 1 115 115 CYS C C 13 175.868 0 . . . . . . A 317 CYS C . 31058 1 997 . 1 . 1 115 115 CYS CA C 13 62.901 0.017 . . . . . . A 317 CYS CA . 31058 1 998 . 1 . 1 115 115 CYS N N 15 115.951 0.063 . . . . . . A 317 CYS N . 31058 1 999 . 1 . 1 116 116 ALA H H 1 7.838 0.086 . . . . . . A 318 ALA H . 31058 1 1000 . 1 . 1 116 116 ALA HA H 1 4.097 0.016 . . . . . . A 318 ALA HA . 31058 1 1001 . 1 . 1 116 116 ALA HB1 H 1 1.4 0.012 . . . . . . A 318 ALA HB1 . 31058 1 1002 . 1 . 1 116 116 ALA HB2 H 1 1.4 0.012 . . . . . . A 318 ALA HB2 . 31058 1 1003 . 1 . 1 116 116 ALA HB3 H 1 1.4 0.012 . . . . . . A 318 ALA HB3 . 31058 1 1004 . 1 . 1 116 116 ALA C C 13 179.122 0 . . . . . . A 318 ALA C . 31058 1 1005 . 1 . 1 116 116 ALA CA C 13 54.975 0.069 . . . . . . A 318 ALA CA . 31058 1 1006 . 1 . 1 116 116 ALA N N 15 121.074 0.293 . . . . . . A 318 ALA N . 31058 1 1007 . 1 . 1 117 117 TRP H H 1 7.822 0.024 . . . . . . A 319 TRP H . 31058 1 1008 . 1 . 1 117 117 TRP HB2 H 1 3.055 0.011 . . . . . . A 319 TRP HB2 . 31058 1 1009 . 1 . 1 117 117 TRP HE1 H 1 10.246 0 . . . . . . A 319 TRP HE1 . 31058 1 1010 . 1 . 1 117 117 TRP C C 13 178.263 0 . . . . . . A 319 TRP C . 31058 1 1011 . 1 . 1 117 117 TRP CA C 13 59.986 0.125 . . . . . . A 319 TRP CA . 31058 1 1012 . 1 . 1 117 117 TRP N N 15 117.584 0.162 . . . . . . A 319 TRP N . 31058 1 1013 . 1 . 1 117 117 TRP NE1 N 15 130.206 0.027 . . . . . . A 319 TRP NE1 . 31058 1 1014 . 1 . 1 118 118 PHE H H 1 7.833 0.02 . . . . . . A 320 PHE H . 31058 1 1015 . 1 . 1 118 118 PHE HA H 1 4.217 0.016 . . . . . . A 320 PHE HA . 31058 1 1016 . 1 . 1 118 118 PHE HB2 H 1 3.05 0.009 . . . . . . A 320 PHE HB2 . 31058 1 1017 . 1 . 1 118 118 PHE HD1 H 1 7.202 0.009 . . . . . . A 320 PHE HD1 . 31058 1 1018 . 1 . 1 118 118 PHE CA C 13 60.023 0.217 . . . . . . A 320 PHE CA . 31058 1 1019 . 1 . 1 118 118 PHE N N 15 115.878 0.375 . . . . . . A 320 PHE N . 31058 1 1020 . 1 . 1 119 119 LEU H H 1 7.649 0.002 . . . . . . A 321 LEU H . 31058 1 1021 . 1 . 1 119 119 LEU C C 13 176.919 0 . . . . . . A 321 LEU C . 31058 1 1022 . 1 . 1 119 119 LEU CA C 13 55.605 0.017 . . . . . . A 321 LEU CA . 31058 1 1023 . 1 . 1 119 119 LEU N N 15 116.769 0.016 . . . . . . A 321 LEU N . 31058 1 1024 . 1 . 1 120 120 ARG H H 1 7.556 0.05 . . . . . . A 322 ARG H . 31058 1 1025 . 1 . 1 120 120 ARG HA H 1 4.17 0.024 . . . . . . A 322 ARG HA . 31058 1 1026 . 1 . 1 120 120 ARG CA C 13 56.502 0.029 . . . . . . A 322 ARG CA . 31058 1 1027 . 1 . 1 120 120 ARG N N 15 118.515 0.363 . . . . . . A 322 ARG N . 31058 1 1028 . 1 . 1 121 121 MET H H 1 7.793 0.01 . . . . . . A 323 MET H . 31058 1 1029 . 1 . 1 121 121 MET C C 13 176.29 0 . . . . . . A 323 MET C . 31058 1 1030 . 1 . 1 121 121 MET CA C 13 55.771 0.019 . . . . . . A 323 MET CA . 31058 1 1031 . 1 . 1 121 121 MET CB C 13 32.739 0 . . . . . . A 323 MET CB . 31058 1 1032 . 1 . 1 121 121 MET N N 15 120.506 0.127 . . . . . . A 323 MET N . 31058 1 1033 . 1 . 1 122 122 LYS H H 1 8.027 0.01 . . . . . . A 324 LYS H . 31058 1 1034 . 1 . 1 122 122 LYS HA H 1 4.301 0.017 . . . . . . A 324 LYS HA . 31058 1 1035 . 1 . 1 122 122 LYS HB2 H 1 1.691 0.014 . . . . . . A 324 LYS HB2 . 31058 1 1036 . 1 . 1 122 122 LYS C C 13 175.98 0 . . . . . . A 324 LYS C . 31058 1 1037 . 1 . 1 122 122 LYS CA C 13 56.018 0.047 . . . . . . A 324 LYS CA . 31058 1 1038 . 1 . 1 122 122 LYS CB C 13 33.31 0 . . . . . . A 324 LYS CB . 31058 1 1039 . 1 . 1 122 122 LYS N N 15 122.080 0.138 . . . . . . A 324 LYS N . 31058 1 1040 . 1 . 1 123 123 ARG H H 1 8.353 0.012 . . . . . . A 325 ARG H . 31058 1 1041 . 1 . 1 123 123 ARG HA H 1 4.284 0.015 . . . . . . A 325 ARG HA . 31058 1 1042 . 1 . 1 123 123 ARG HB2 H 1 1.695 0.011 . . . . . . A 325 ARG HB2 . 31058 1 1043 . 1 . 1 123 123 ARG CA C 13 54.033 0.165 . . . . . . A 325 ARG CA . 31058 1 1044 . 1 . 1 123 123 ARG CB C 13 29.458 0 . . . . . . A 325 ARG CB . 31058 1 1045 . 1 . 1 123 123 ARG N N 15 123.818 0.128 . . . . . . A 325 ARG N . 31058 1 1046 . 1 . 1 124 124 PRO HA H 1 4.37 0.011 . . . . . . A 326 PRO HA . 31058 1 1047 . 1 . 1 124 124 PRO HB2 H 1 2.223 0.016 . . . . . . A 326 PRO HB2 . 31058 1 1048 . 1 . 1 124 124 PRO HB3 H 1 1.978 0.003 . . . . . . A 326 PRO HB3 . 31058 1 1049 . 1 . 1 124 124 PRO HG2 H 1 1.975 0.017 . . . . . . A 326 PRO HG2 . 31058 1 1050 . 1 . 1 124 124 PRO HG3 H 1 1.872 0.012 . . . . . . A 326 PRO HG3 . 31058 1 1051 . 1 . 1 124 124 PRO HD2 H 1 3.591 0.006 . . . . . . A 326 PRO HD2 . 31058 1 1052 . 1 . 1 124 124 PRO HD3 H 1 3.773 0.005 . . . . . . A 326 PRO HD3 . 31058 1 1053 . 1 . 1 124 124 PRO C C 13 177.476 0 . . . . . . A 326 PRO C . 31058 1 1054 . 1 . 1 124 124 PRO CA C 13 63.423 0.124 . . . . . . A 326 PRO CA . 31058 1 1055 . 1 . 1 124 124 PRO CB C 13 31.851 0.04 . . . . . . A 326 PRO CB . 31058 1 1056 . 1 . 1 124 124 PRO CD C 13 50.592 0.126 . . . . . . A 326 PRO CD . 31058 1 1057 . 1 . 1 125 125 GLY H H 1 8.408 0.007 . . . . . . A 327 GLY H . 31058 1 1058 . 1 . 1 125 125 GLY HA2 H 1 3.891 0.017 . . . . . . A 327 GLY HA2 . 31058 1 1059 . 1 . 1 125 125 GLY HA3 H 1 3.938 0.025 . . . . . . A 327 GLY HA3 . 31058 1 1060 . 1 . 1 125 125 GLY C C 13 174.419 0 . . . . . . A 327 GLY C . 31058 1 1061 . 1 . 1 125 125 GLY CA C 13 45.445 0.182 . . . . . . A 327 GLY CA . 31058 1 1062 . 1 . 1 125 125 GLY N N 15 109.555 0.106 . . . . . . A 327 GLY N . 31058 1 1063 . 1 . 1 126 126 GLU H H 1 8.008 0.008 . . . . . . A 328 GLU H . 31058 1 1064 . 1 . 1 126 126 GLU HA H 1 4.267 0.008 . . . . . . A 328 GLU HA . 31058 1 1065 . 1 . 1 126 126 GLU HB2 H 1 1.962 0.01 . . . . . . A 328 GLU HB2 . 31058 1 1066 . 1 . 1 126 126 GLU HG2 H 1 2.244 0.023 . . . . . . A 328 GLU HG2 . 31058 1 1067 . 1 . 1 126 126 GLU C C 13 176.158 0 . . . . . . A 328 GLU C . 31058 1 1068 . 1 . 1 126 126 GLU CA C 13 56.7 0.139 . . . . . . A 328 GLU CA . 31058 1 1069 . 1 . 1 126 126 GLU CB C 13 30.156 0.09 . . . . . . A 328 GLU CB . 31058 1 1070 . 1 . 1 126 126 GLU CG C 13 35.916 0.086 . . . . . . A 328 GLU CG . 31058 1 1071 . 1 . 1 126 126 GLU N N 15 120.252 0.093 . . . . . . A 328 GLU N . 31058 1 1072 . 1 . 1 127 127 ASP H H 1 8.333 0.004 . . . . . . A 329 ASP H . 31058 1 1073 . 1 . 1 127 127 ASP HA H 1 4.534 0.016 . . . . . . A 329 ASP HA . 31058 1 1074 . 1 . 1 127 127 ASP HB2 H 1 2.632 0.012 . . . . . . A 329 ASP HB2 . 31058 1 1075 . 1 . 1 127 127 ASP C C 13 175.974 0 . . . . . . A 329 ASP C . 31058 1 1076 . 1 . 1 127 127 ASP CA C 13 54.313 0.072 . . . . . . A 329 ASP CA . 31058 1 1077 . 1 . 1 127 127 ASP CB C 13 40.82 0.09 . . . . . . A 329 ASP CB . 31058 1 1078 . 1 . 1 127 127 ASP N N 15 120.557 0.114 . . . . . . A 329 ASP N . 31058 1 1079 . 1 . 1 128 128 LYS H H 1 8.002 0.008 . . . . . . A 330 LYS H . 31058 1 1080 . 1 . 1 128 128 LYS HA H 1 4.276 0.018 . . . . . . A 330 LYS HA . 31058 1 1081 . 1 . 1 128 128 LYS HB2 H 1 1.701 0.013 . . . . . . A 330 LYS HB2 . 31058 1 1082 . 1 . 1 128 128 LYS HE2 H 1 2.936 0.016 . . . . . . A 330 LYS HE2 . 31058 1 1083 . 1 . 1 128 128 LYS C C 13 176.338 0 . . . . . . A 330 LYS C . 31058 1 1084 . 1 . 1 128 128 LYS CA C 13 56.2 0.015 . . . . . . A 330 LYS CA . 31058 1 1085 . 1 . 1 128 128 LYS CB C 13 32.904 0.006 . . . . . . A 330 LYS CB . 31058 1 1086 . 1 . 1 128 128 LYS N N 15 120.846 0.128 . . . . . . A 330 LYS N . 31058 1 1087 . 1 . 1 129 129 VAL H H 1 7.914 0.01 . . . . . . A 331 VAL H . 31058 1 1088 . 1 . 1 129 129 VAL HA H 1 4.024 0.014 . . . . . . A 331 VAL HA . 31058 1 1089 . 1 . 1 129 129 VAL HB H 1 1.903 0.017 . . . . . . A 331 VAL HB . 31058 1 1090 . 1 . 1 129 129 VAL HG11 H 1 0.87 0.007 . . . . . . A 331 VAL HG11 . 31058 1 1091 . 1 . 1 129 129 VAL HG12 H 1 0.87 0.007 . . . . . . A 331 VAL HG12 . 31058 1 1092 . 1 . 1 129 129 VAL HG13 H 1 0.87 0.007 . . . . . . A 331 VAL HG13 . 31058 1 1093 . 1 . 1 129 129 VAL C C 13 175.797 0 . . . . . . A 331 VAL C . 31058 1 1094 . 1 . 1 129 129 VAL CA C 13 62.313 0.064 . . . . . . A 331 VAL CA . 31058 1 1095 . 1 . 1 129 129 VAL CB C 13 32.557 0.039 . . . . . . A 331 VAL CB . 31058 1 1096 . 1 . 1 129 129 VAL N N 15 120.821 0.08 . . . . . . A 331 VAL N . 31058 1 1097 . 1 . 1 130 130 ARG H H 1 8.256 0.009 . . . . . . A 332 ARG H . 31058 1 1098 . 1 . 1 130 130 ARG HA H 1 4.554 0.011 . . . . . . A 332 ARG HA . 31058 1 1099 . 1 . 1 130 130 ARG HB2 H 1 1.64 0.014 . . . . . . A 332 ARG HB2 . 31058 1 1100 . 1 . 1 130 130 ARG HG2 H 1 1.641 0.016 . . . . . . A 332 ARG HG2 . 31058 1 1101 . 1 . 1 130 130 ARG CA C 13 53.948 0.312 . . . . . . A 332 ARG CA . 31058 1 1102 . 1 . 1 130 130 ARG CB C 13 29.278 0.355 . . . . . . A 332 ARG CB . 31058 1 1103 . 1 . 1 130 130 ARG CD C 13 42.434 0.234 . . . . . . A 332 ARG CD . 31058 1 1104 . 1 . 1 130 130 ARG N N 15 126.052 0.128 . . . . . . A 332 ARG N . 31058 1 1105 . 1 . 1 131 131 PRO HA H 1 4.361 0.016 . . . . . . A 333 PRO HA . 31058 1 1106 . 1 . 1 131 131 PRO HB3 H 1 1.896 0.016 . . . . . . A 333 PRO HB3 . 31058 1 1107 . 1 . 1 131 131 PRO C C 13 176.784 0 . . . . . . A 333 PRO C . 31058 1 1108 . 1 . 1 131 131 PRO CA C 13 63.167 0.029 . . . . . . A 333 PRO CA . 31058 1 1109 . 1 . 1 131 131 PRO CB C 13 31.85 0.101 . . . . . . A 333 PRO CB . 31058 1 1110 . 1 . 1 132 132 ALA H H 1 8.296 0.004 . . . . . . A 334 ALA H . 31058 1 1111 . 1 . 1 132 132 ALA HA H 1 4.324 0.02 . . . . . . A 334 ALA HA . 31058 1 1112 . 1 . 1 132 132 ALA HB1 H 1 1.373 0.016 . . . . . . A 334 ALA HB1 . 31058 1 1113 . 1 . 1 132 132 ALA HB2 H 1 1.373 0.016 . . . . . . A 334 ALA HB2 . 31058 1 1114 . 1 . 1 132 132 ALA HB3 H 1 1.373 0.016 . . . . . . A 334 ALA HB3 . 31058 1 1115 . 1 . 1 132 132 ALA C C 13 177.895 0 . . . . . . A 334 ALA C . 31058 1 1116 . 1 . 1 132 132 ALA CA C 13 52.538 0.173 . . . . . . A 334 ALA CA . 31058 1 1117 . 1 . 1 132 132 ALA CB C 13 18.996 0.073 . . . . . . A 334 ALA CB . 31058 1 1118 . 1 . 1 132 132 ALA N N 15 124.188 0.12 . . . . . . A 334 ALA N . 31058 1 1119 . 1 . 1 133 133 CYS H H 1 8.102 0.009 . . . . . . A 335 CYS H . 31058 1 1120 . 1 . 1 133 133 CYS HA H 1 4.328 0.018 . . . . . . A 335 CYS HA . 31058 1 1121 . 1 . 1 133 133 CYS HB2 H 1 2.861 0.004 . . . . . . A 335 CYS HB2 . 31058 1 1122 . 1 . 1 133 133 CYS C C 13 174.565 0 . . . . . . A 335 CYS C . 31058 1 1123 . 1 . 1 133 133 CYS CA C 13 58.355 0.07 . . . . . . A 335 CYS CA . 31058 1 1124 . 1 . 1 133 133 CYS CB C 13 28.072 0.052 . . . . . . A 335 CYS CB . 31058 1 1125 . 1 . 1 133 133 CYS N N 15 117.811 0.147 . . . . . . A 335 CYS N . 31058 1 1126 . 1 . 1 134 134 GLN H H 1 8.168 0.008 . . . . . . A 336 GLN H . 31058 1 1127 . 1 . 1 134 134 GLN HA H 1 4.29 0.009 . . . . . . A 336 GLN HA . 31058 1 1128 . 1 . 1 134 134 GLN C C 13 175.741 0 . . . . . . A 336 GLN C . 31058 1 1129 . 1 . 1 134 134 GLN CA C 13 55.995 0.033 . . . . . . A 336 GLN CA . 31058 1 1130 . 1 . 1 134 134 GLN CB C 13 29.404 0.017 . . . . . . A 336 GLN CB . 31058 1 1131 . 1 . 1 134 134 GLN N N 15 121.683 0.107 . . . . . . A 336 GLN N . 31058 1 1132 . 1 . 1 135 135 HIS H H 1 8.306 0.004 . . . . . . A 337 HIS H . 31058 1 1133 . 1 . 1 135 135 HIS HA H 1 4.562 0 . . . . . . A 337 HIS HA . 31058 1 1134 . 1 . 1 135 135 HIS HB2 H 1 3.065 0 . . . . . . A 337 HIS HB2 . 31058 1 1135 . 1 . 1 135 135 HIS C C 13 174.366 0 . . . . . . A 337 HIS C . 31058 1 1136 . 1 . 1 135 135 HIS CA C 13 55.302 0.015 . . . . . . A 337 HIS CA . 31058 1 1137 . 1 . 1 135 135 HIS CB C 13 29.046 0 . . . . . . A 337 HIS CB . 31058 1 1138 . 1 . 1 135 135 HIS N N 15 119.455 0.085 . . . . . . A 337 HIS N . 31058 1 1139 . 1 . 1 136 136 LYS H H 1 8.203 0.009 . . . . . . A 338 LYS H . 31058 1 1140 . 1 . 1 136 136 LYS HA H 1 4.264 0.011 . . . . . . A 338 LYS HA . 31058 1 1141 . 1 . 1 136 136 LYS C C 13 176.282 0 . . . . . . A 338 LYS C . 31058 1 1142 . 1 . 1 136 136 LYS CA C 13 56.391 0.045 . . . . . . A 338 LYS CA . 31058 1 1143 . 1 . 1 136 136 LYS CB C 13 32.955 0.027 . . . . . . A 338 LYS CB . 31058 1 1144 . 1 . 1 136 136 LYS N N 15 122.566 0.217 . . . . . . A 338 LYS N . 31058 1 1145 . 1 . 1 137 137 GLN H H 1 8.306 0.009 . . . . . . A 339 GLN H . 31058 1 1146 . 1 . 1 137 137 GLN HA H 1 4.265 0.009 . . . . . . A 339 GLN HA . 31058 1 1147 . 1 . 1 137 137 GLN HB2 H 1 2.022 0.013 . . . . . . A 339 GLN HB2 . 31058 1 1148 . 1 . 1 137 137 GLN HG2 H 1 2.03 0.013 . . . . . . A 339 GLN HG2 . 31058 1 1149 . 1 . 1 137 137 GLN C C 13 175.821 0 . . . . . . A 339 GLN C . 31058 1 1150 . 1 . 1 137 137 GLN CA C 13 55.907 0.014 . . . . . . A 339 GLN CA . 31058 1 1151 . 1 . 1 137 137 GLN CB C 13 29.64 0.198 . . . . . . A 339 GLN CB . 31058 1 1152 . 1 . 1 137 137 GLN N N 15 121.666 0.055 . . . . . . A 339 GLN N . 31058 1 1153 . 1 . 1 138 138 ARG H H 1 8.315 0.01 . . . . . . A 340 ARG H . 31058 1 1154 . 1 . 1 138 138 ARG HA H 1 4.292 0.007 . . . . . . A 340 ARG HA . 31058 1 1155 . 1 . 1 138 138 ARG HB2 H 1 1.798 0.016 . . . . . . A 340 ARG HB2 . 31058 1 1156 . 1 . 1 138 138 ARG C C 13 175.821 0 . . . . . . A 340 ARG C . 31058 1 1157 . 1 . 1 138 138 ARG CA C 13 56.17 0.018 . . . . . . A 340 ARG CA . 31058 1 1158 . 1 . 1 138 138 ARG CB C 13 30.868 0.009 . . . . . . A 340 ARG CB . 31058 1 1159 . 1 . 1 138 138 ARG N N 15 122.954 0.167 . . . . . . A 340 ARG N . 31058 1 1160 . 1 . 1 139 139 ARG H H 1 8.314 0.017 . . . . . . A 341 ARG H . 31058 1 1161 . 1 . 1 139 139 ARG HA H 1 4.3 0.011 . . . . . . A 341 ARG HA . 31058 1 1162 . 1 . 1 139 139 ARG HB2 H 1 1.791 0.014 . . . . . . A 341 ARG HB2 . 31058 1 1163 . 1 . 1 139 139 ARG C C 13 176.187 0 . . . . . . A 341 ARG C . 31058 1 1164 . 1 . 1 139 139 ARG CA C 13 56.154 0.075 . . . . . . A 341 ARG CA . 31058 1 1165 . 1 . 1 139 139 ARG CB C 13 30.797 0.06 . . . . . . A 341 ARG CB . 31058 1 1166 . 1 . 1 139 139 ARG N N 15 122.756 0.123 . . . . . . A 341 ARG N . 31058 1 1167 . 1 . 1 140 140 CYS H H 1 8.325 0.005 . . . . . . A 342 CYS H . 31058 1 1168 . 1 . 1 140 140 CYS C C 13 174.536 0 . . . . . . A 342 CYS C . 31058 1 1169 . 1 . 1 140 140 CYS CA C 13 58.303 0.021 . . . . . . A 342 CYS CA . 31058 1 1170 . 1 . 1 140 140 CYS N N 15 117.136 0.076 . . . . . . A 342 CYS N . 31058 1 1171 . 1 . 1 141 141 SER H H 1 8.265 0.009 . . . . . . A 343 SER H . 31058 1 1172 . 1 . 1 141 141 SER C C 13 174.434 0 . . . . . . A 343 SER C . 31058 1 1173 . 1 . 1 141 141 SER CA C 13 58.428 0.064 . . . . . . A 343 SER CA . 31058 1 1174 . 1 . 1 141 141 SER CB C 13 63.815 0.05 . . . . . . A 343 SER CB . 31058 1 1175 . 1 . 1 141 141 SER N N 15 117.910 0.041 . . . . . . A 343 SER N . 31058 1 1176 . 1 . 1 142 142 LEU H H 1 8.109 0.006 . . . . . . A 344 LEU H . 31058 1 1177 . 1 . 1 142 142 LEU HB2 H 1 1.581 0.007 . . . . . . A 344 LEU HB2 . 31058 1 1178 . 1 . 1 142 142 LEU HD11 H 1 0.85 0.007 . . . . . . A 344 LEU HD11 . 31058 1 1179 . 1 . 1 142 142 LEU HD12 H 1 0.85 0.007 . . . . . . A 344 LEU HD12 . 31058 1 1180 . 1 . 1 142 142 LEU HD13 H 1 0.85 0.007 . . . . . . A 344 LEU HD13 . 31058 1 1181 . 1 . 1 142 142 LEU C C 13 177.002 0 . . . . . . A 344 LEU C . 31058 1 1182 . 1 . 1 142 142 LEU CA C 13 55.42 0.035 . . . . . . A 344 LEU CA . 31058 1 1183 . 1 . 1 142 142 LEU CB C 13 42.347 0.048 . . . . . . A 344 LEU CB . 31058 1 1184 . 1 . 1 142 142 LEU N N 15 123.566 0.05 . . . . . . A 344 LEU N . 31058 1 1185 . 1 . 1 143 143 ALA H H 1 8.057 0.018 . . . . . . A 345 ALA H . 31058 1 1186 . 1 . 1 143 143 ALA HA H 1 4.283 0.005 . . . . . . A 345 ALA HA . 31058 1 1187 . 1 . 1 143 143 ALA HB1 H 1 1.351 0.004 . . . . . . A 345 ALA HB1 . 31058 1 1188 . 1 . 1 143 143 ALA HB2 H 1 1.351 0.004 . . . . . . A 345 ALA HB2 . 31058 1 1189 . 1 . 1 143 143 ALA HB3 H 1 1.351 0.004 . . . . . . A 345 ALA HB3 . 31058 1 1190 . 1 . 1 143 143 ALA C C 13 177.702 0 . . . . . . A 345 ALA C . 31058 1 1191 . 1 . 1 143 143 ALA CA C 13 52.775 0.082 . . . . . . A 345 ALA CA . 31058 1 1192 . 1 . 1 143 143 ALA CB C 13 19.231 0.121 . . . . . . A 345 ALA CB . 31058 1 1193 . 1 . 1 143 143 ALA N N 15 123.863 0.157 . . . . . . A 345 ALA N . 31058 1 1194 . 1 . 1 144 144 SER H H 1 8.013 0.009 . . . . . . A 346 SER H . 31058 1 1195 . 1 . 1 144 144 SER HA H 1 4.364 0.025 . . . . . . A 346 SER HA . 31058 1 1196 . 1 . 1 144 144 SER HB2 H 1 3.877 0.003 . . . . . . A 346 SER HB2 . 31058 1 1197 . 1 . 1 144 144 SER C C 13 174.741 0 . . . . . . A 346 SER C . 31058 1 1198 . 1 . 1 144 144 SER CA C 13 58.519 0.027 . . . . . . A 346 SER CA . 31058 1 1199 . 1 . 1 144 144 SER CB C 13 63.703 0.013 . . . . . . A 346 SER CB . 31058 1 1200 . 1 . 1 144 144 SER N N 15 114.442 0.13 . . . . . . A 346 SER N . 31058 1 1201 . 1 . 1 145 145 VAL H H 1 7.914 0.009 . . . . . . A 347 VAL H . 31058 1 1202 . 1 . 1 145 145 VAL HA H 1 4.09 0.008 . . . . . . A 347 VAL HA . 31058 1 1203 . 1 . 1 145 145 VAL HB H 1 2.042 0.008 . . . . . . A 347 VAL HB . 31058 1 1204 . 1 . 1 145 145 VAL HG11 H 1 0.877 0.007 . . . . . . A 347 VAL HG11 . 31058 1 1205 . 1 . 1 145 145 VAL HG12 H 1 0.877 0.007 . . . . . . A 347 VAL HG12 . 31058 1 1206 . 1 . 1 145 145 VAL HG13 H 1 0.877 0.007 . . . . . . A 347 VAL HG13 . 31058 1 1207 . 1 . 1 145 145 VAL C C 13 176.083 0 . . . . . . A 347 VAL C . 31058 1 1208 . 1 . 1 145 145 VAL CA C 13 62.447 0.21 . . . . . . A 347 VAL CA . 31058 1 1209 . 1 . 1 145 145 VAL CB C 13 32.709 0.107 . . . . . . A 347 VAL CB . 31058 1 1210 . 1 . 1 145 145 VAL N N 15 120.821 0.168 . . . . . . A 347 VAL N . 31058 1 1211 . 1 . 1 146 146 GLU H H 1 8.271 0.008 . . . . . . A 348 GLU H . 31058 1 1212 . 1 . 1 146 146 GLU HA H 1 4.252 0.008 . . . . . . A 348 GLU HA . 31058 1 1213 . 1 . 1 146 146 GLU HB2 H 1 2.016 0.024 . . . . . . A 348 GLU HB2 . 31058 1 1214 . 1 . 1 146 146 GLU HG2 H 1 2.239 0.003 . . . . . . A 348 GLU HG2 . 31058 1 1215 . 1 . 1 146 146 GLU C C 13 176.504 0 . . . . . . A 348 GLU C . 31058 1 1216 . 1 . 1 146 146 GLU CA C 13 56.672 0.079 . . . . . . A 348 GLU CA . 31058 1 1217 . 1 . 1 146 146 GLU CB C 13 29.723 0.012 . . . . . . A 348 GLU CB . 31058 1 1218 . 1 . 1 146 146 GLU CG C 13 35.831 0.171 . . . . . . A 348 GLU CG . 31058 1 1219 . 1 . 1 146 146 GLU N N 15 123.367 0.092 . . . . . . A 348 GLU N . 31058 1 1220 . 1 . 1 147 147 MET H H 1 8.204 0.008 . . . . . . A 349 MET H . 31058 1 1221 . 1 . 1 147 147 MET HA H 1 4.237 0.006 . . . . . . A 349 MET HA . 31058 1 1222 . 1 . 1 147 147 MET HB2 H 1 2.019 0.012 . . . . . . A 349 MET HB2 . 31058 1 1223 . 1 . 1 147 147 MET C C 13 176.284 0 . . . . . . A 349 MET C . 31058 1 1224 . 1 . 1 147 147 MET CA C 13 55.898 0.077 . . . . . . A 349 MET CA . 31058 1 1225 . 1 . 1 147 147 MET CB C 13 32.748 0.046 . . . . . . A 349 MET CB . 31058 1 1226 . 1 . 1 147 147 MET N N 15 120.879 0.165 . . . . . . A 349 MET N . 31058 1 1227 . 1 . 1 148 148 SER H H 1 8.101 0.004 . . . . . . A 350 SER H . 31058 1 1228 . 1 . 1 148 148 SER HA H 1 4.522 0.019 . . . . . . A 350 SER HA . 31058 1 1229 . 1 . 1 148 148 SER HB2 H 1 3.864 0.011 . . . . . . A 350 SER HB2 . 31058 1 1230 . 1 . 1 148 148 SER C C 13 174.134 0 . . . . . . A 350 SER C . 31058 1 1231 . 1 . 1 148 148 SER CA C 13 58.711 0.009 . . . . . . A 350 SER CA . 31058 1 1232 . 1 . 1 148 148 SER CB C 13 63.752 0.008 . . . . . . A 350 SER CB . 31058 1 1233 . 1 . 1 148 148 SER N N 15 115.991 0.133 . . . . . . A 350 SER N . 31058 1 1234 . 1 . 1 149 149 ALA H H 1 8.095 0.005 . . . . . . A 351 ALA H . 31058 1 1235 . 1 . 1 149 149 ALA HA H 1 4.384 0.007 . . . . . . A 351 ALA HA . 31058 1 1236 . 1 . 1 149 149 ALA HB1 H 1 1.359 0.02 . . . . . . A 351 ALA HB1 . 31058 1 1237 . 1 . 1 149 149 ALA HB2 H 1 1.359 0.02 . . . . . . A 351 ALA HB2 . 31058 1 1238 . 1 . 1 149 149 ALA HB3 H 1 1.359 0.02 . . . . . . A 351 ALA HB3 . 31058 1 1239 . 1 . 1 149 149 ALA C C 13 177.323 0 . . . . . . A 351 ALA C . 31058 1 1240 . 1 . 1 149 149 ALA CA C 13 52.583 0.039 . . . . . . A 351 ALA CA . 31058 1 1241 . 1 . 1 149 149 ALA CB C 13 19.271 0.027 . . . . . . A 351 ALA CB . 31058 1 1242 . 1 . 1 149 149 ALA N N 15 125.335 0.124 . . . . . . A 351 ALA N . 31058 1 1243 . 1 . 1 150 150 VAL H H 1 7.767 0.009 . . . . . . A 352 VAL H . 31058 1 1244 . 1 . 1 150 150 VAL HA H 1 4.049 0.004 . . . . . . A 352 VAL HA . 31058 1 1245 . 1 . 1 150 150 VAL HG11 H 1 0.838 0.019 . . . . . . A 352 VAL HG11 . 31058 1 1246 . 1 . 1 150 150 VAL HG12 H 1 0.838 0.019 . . . . . . A 352 VAL HG12 . 31058 1 1247 . 1 . 1 150 150 VAL HG13 H 1 0.838 0.019 . . . . . . A 352 VAL HG13 . 31058 1 1248 . 1 . 1 150 150 VAL C C 13 175.235 0 . . . . . . A 352 VAL C . 31058 1 1249 . 1 . 1 150 150 VAL CA C 13 61.836 0.054 . . . . . . A 352 VAL CA . 31058 1 1250 . 1 . 1 150 150 VAL CB C 13 32.636 0.119 . . . . . . A 352 VAL CB . 31058 1 1251 . 1 . 1 150 150 VAL N N 15 117.558 0.153 . . . . . . A 352 VAL N . 31058 1 1252 . 1 . 1 151 151 ALA H H 1 8.037 0.013 . . . . . . A 353 ALA H . 31058 1 1253 . 1 . 1 151 151 ALA HA H 1 4.546 0.014 . . . . . . A 353 ALA HA . 31058 1 1254 . 1 . 1 151 151 ALA HB1 H 1 1.296 0.005 . . . . . . A 353 ALA HB1 . 31058 1 1255 . 1 . 1 151 151 ALA HB2 H 1 1.296 0.005 . . . . . . A 353 ALA HB2 . 31058 1 1256 . 1 . 1 151 151 ALA HB3 H 1 1.296 0.005 . . . . . . A 353 ALA HB3 . 31058 1 1257 . 1 . 1 151 151 ALA CA C 13 50.19 0.181 . . . . . . A 353 ALA CA . 31058 1 1258 . 1 . 1 151 151 ALA CB C 13 18.426 0.216 . . . . . . A 353 ALA CB . 31058 1 1259 . 1 . 1 151 151 ALA N N 15 128.202 0.199 . . . . . . A 353 ALA N . 31058 1 1260 . 1 . 1 152 152 PRO HA H 1 4.643 0.003 . . . . . . A 354 PRO HA . 31058 1 1261 . 1 . 1 152 152 PRO HB2 H 1 2.292 0.017 . . . . . . A 354 PRO HB2 . 31058 1 1262 . 1 . 1 152 152 PRO HB3 H 1 1.979 0.011 . . . . . . A 354 PRO HB3 . 31058 1 1263 . 1 . 1 152 152 PRO HG2 H 1 2.094 0.007 . . . . . . A 354 PRO HG2 . 31058 1 1264 . 1 . 1 152 152 PRO HG3 H 1 1.933 0.01 . . . . . . A 354 PRO HG3 . 31058 1 1265 . 1 . 1 152 152 PRO HD2 H 1 3.781 0.009 . . . . . . A 354 PRO HD2 . 31058 1 1266 . 1 . 1 152 152 PRO HD3 H 1 3.581 0.01 . . . . . . A 354 PRO HD3 . 31058 1 1267 . 1 . 1 152 152 PRO CA C 13 61.327 0.113 . . . . . . A 354 PRO CA . 31058 1 1268 . 1 . 1 152 152 PRO CD C 13 50.143 0.136 . . . . . . A 354 PRO CD . 31058 1 1269 . 1 . 1 153 153 PRO HA H 1 4.643 0.003 . . . . . . A 355 PRO HA . 31058 1 1270 . 1 . 1 153 153 PRO CA C 13 61.327 0.113 . . . . . . A 355 PRO CA . 31058 1 1271 . 1 . 1 154 154 PRO C C 13 176.799 0 . . . . . . A 356 PRO C . 31058 1 1272 . 1 . 1 154 154 PRO CA C 13 63.141 0.004 . . . . . . A 356 PRO CA . 31058 1 1273 . 1 . 1 154 154 PRO CB C 13 31.801 0 . . . . . . A 356 PRO CB . 31058 1 1274 . 1 . 1 155 155 ALA H H 1 8.208 0.007 . . . . . . A 357 ALA H . 31058 1 1275 . 1 . 1 155 155 ALA HA H 1 4.318 0 . . . . . . A 357 ALA HA . 31058 1 1276 . 1 . 1 155 155 ALA HB1 H 1 1.366 0 . . . . . . A 357 ALA HB1 . 31058 1 1277 . 1 . 1 155 155 ALA HB2 H 1 1.366 0 . . . . . . A 357 ALA HB2 . 31058 1 1278 . 1 . 1 155 155 ALA HB3 H 1 1.366 0 . . . . . . A 357 ALA HB3 . 31058 1 1279 . 1 . 1 155 155 ALA C C 13 177.446 0 . . . . . . A 357 ALA C . 31058 1 1280 . 1 . 1 155 155 ALA CA C 13 52.545 0.072 . . . . . . A 357 ALA CA . 31058 1 1281 . 1 . 1 155 155 ALA CB C 13 19.036 0 . . . . . . A 357 ALA CB . 31058 1 1282 . 1 . 1 155 155 ALA N N 15 123.401 0.113 . . . . . . A 357 ALA N . 31058 1 1283 . 1 . 1 156 156 SER H H 1 8.102 0.029 . . . . . . A 358 SER H . 31058 1 1284 . 1 . 1 156 156 SER HA H 1 4.303 0 . . . . . . A 358 SER HA . 31058 1 1285 . 1 . 1 156 156 SER HB2 H 1 3.851 0 . . . . . . A 358 SER HB2 . 31058 1 1286 . 1 . 1 156 156 SER C C 13 174.483 0 . . . . . . A 358 SER C . 31058 1 1287 . 1 . 1 156 156 SER CA C 13 58.421 0.079 . . . . . . A 358 SER CA . 31058 1 1288 . 1 . 1 156 156 SER CB C 13 63.778 0 . . . . . . A 358 SER CB . 31058 1 1289 . 1 . 1 156 156 SER N N 15 114.332 0.453 . . . . . . A 358 SER N . 31058 1 1290 . 1 . 1 157 157 ASN H H 1 8.262 0.008 . . . . . . A 359 ASN H . 31058 1 1291 . 1 . 1 157 157 ASN HA H 1 4.477 0.015 . . . . . . A 359 ASN HA . 31058 1 1292 . 1 . 1 157 157 ASN HB3 H 1 2.704 0.001 . . . . . . A 359 ASN HB3 . 31058 1 1293 . 1 . 1 157 157 ASN C C 13 175.741 0 . . . . . . A 359 ASN C . 31058 1 1294 . 1 . 1 157 157 ASN CA C 13 53.579 0.028 . . . . . . A 359 ASN CA . 31058 1 1295 . 1 . 1 157 157 ASN CB C 13 38.767 0.009 . . . . . . A 359 ASN CB . 31058 1 1296 . 1 . 1 157 157 ASN N N 15 120.261 0.106 . . . . . . A 359 ASN N . 31058 1 1297 . 1 . 1 158 158 GLY H H 1 8.286 0.003 . . . . . . A 360 GLY H . 31058 1 1298 . 1 . 1 158 158 GLY HA2 H 1 3.876 0.007 . . . . . . A 360 GLY HA2 . 31058 1 1299 . 1 . 1 158 158 GLY C C 13 174.062 0 . . . . . . A 360 GLY C . 31058 1 1300 . 1 . 1 158 158 GLY CA C 13 45.732 0.089 . . . . . . A 360 GLY CA . 31058 1 1301 . 1 . 1 158 158 GLY N N 15 108.397 0.17 . . . . . . A 360 GLY N . 31058 1 1302 . 1 . 1 159 159 ASN H H 1 8.097 0.006 . . . . . . A 361 ASN H . 31058 1 1303 . 1 . 1 159 159 ASN HA H 1 4.583 0.026 . . . . . . A 361 ASN HA . 31058 1 1304 . 1 . 1 159 159 ASN HB2 H 1 2.836 0.007 . . . . . . A 361 ASN HB2 . 31058 1 1305 . 1 . 1 159 159 ASN HB3 H 1 2.735 0.011 . . . . . . A 361 ASN HB3 . 31058 1 1306 . 1 . 1 159 159 ASN C C 13 175.609 0 . . . . . . A 361 ASN C . 31058 1 1307 . 1 . 1 159 159 ASN CA C 13 53.608 0.053 . . . . . . A 361 ASN CA . 31058 1 1308 . 1 . 1 159 159 ASN CB C 13 38.865 0.12 . . . . . . A 361 ASN CB . 31058 1 1309 . 1 . 1 159 159 ASN N N 15 118.367 0.131 . . . . . . A 361 ASN N . 31058 1 1310 . 1 . 1 160 160 LEU H H 1 8.096 0.008 . . . . . . A 362 LEU H . 31058 1 1311 . 1 . 1 160 160 LEU HA H 1 4.169 0.004 . . . . . . A 362 LEU HA . 31058 1 1312 . 1 . 1 160 160 LEU HB2 H 1 1.648 0.027 . . . . . . A 362 LEU HB2 . 31058 1 1313 . 1 . 1 160 160 LEU HD11 H 1 0.855 0.003 . . . . . . A 362 LEU HD11 . 31058 1 1314 . 1 . 1 160 160 LEU HD12 H 1 0.855 0.003 . . . . . . A 362 LEU HD12 . 31058 1 1315 . 1 . 1 160 160 LEU HD13 H 1 0.855 0.003 . . . . . . A 362 LEU HD13 . 31058 1 1316 . 1 . 1 160 160 LEU C C 13 177.089 0 . . . . . . A 362 LEU C . 31058 1 1317 . 1 . 1 160 160 LEU CA C 13 56.41 0.098 . . . . . . A 362 LEU CA . 31058 1 1318 . 1 . 1 160 160 LEU CB C 13 42.291 0.077 . . . . . . A 362 LEU CB . 31058 1 1319 . 1 . 1 160 160 LEU N N 15 121.830 0.095 . . . . . . A 362 LEU N . 31058 1 1320 . 1 . 1 161 161 LEU H H 1 7.897 0.009 . . . . . . A 363 LEU H . 31058 1 1321 . 1 . 1 161 161 LEU HA H 1 4.109 0.011 . . . . . . A 363 LEU HA . 31058 1 1322 . 1 . 1 161 161 LEU HB2 H 1 1.523 0.018 . . . . . . A 363 LEU HB2 . 31058 1 1323 . 1 . 1 161 161 LEU HG H 1 1.696 0.006 . . . . . . A 363 LEU HG . 31058 1 1324 . 1 . 1 161 161 LEU HD11 H 1 0.813 0.027 . . . . . . A 363 LEU HD11 . 31058 1 1325 . 1 . 1 161 161 LEU HD12 H 1 0.813 0.027 . . . . . . A 363 LEU HD12 . 31058 1 1326 . 1 . 1 161 161 LEU HD13 H 1 0.813 0.027 . . . . . . A 363 LEU HD13 . 31058 1 1327 . 1 . 1 161 161 LEU C C 13 176.708 0 . . . . . . A 363 LEU C . 31058 1 1328 . 1 . 1 161 161 LEU CA C 13 55.916 0.115 . . . . . . A 363 LEU CA . 31058 1 1329 . 1 . 1 161 161 LEU CB C 13 42.321 0.182 . . . . . . A 363 LEU CB . 31058 1 1330 . 1 . 1 161 161 LEU CG C 13 27.53 0.11 . . . . . . A 363 LEU CG . 31058 1 1331 . 1 . 1 161 161 LEU CD1 C 13 23.502 0.153 . . . . . . A 363 LEU CD1 . 31058 1 1332 . 1 . 1 161 161 LEU N N 15 118.831 0.192 . . . . . . A 363 LEU N . 31058 1 1333 . 1 . 1 162 162 TYR H H 1 7.640 0.019 . . . . . . A 364 TYR H . 31058 1 1334 . 1 . 1 162 162 TYR HA H 1 4.416 0.023 . . . . . . A 364 TYR HA . 31058 1 1335 . 1 . 1 162 162 TYR HB2 H 1 2.973 0.008 . . . . . . A 364 TYR HB2 . 31058 1 1336 . 1 . 1 162 162 TYR HB3 H 1 2.731 0.008 . . . . . . A 364 TYR HB3 . 31058 1 1337 . 1 . 1 162 162 TYR HD1 H 1 7 0.03 . . . . . . A 364 TYR HD1 . 31058 1 1338 . 1 . 1 162 162 TYR HE1 H 1 6.73 0.002 . . . . . . A 364 TYR HE1 . 31058 1 1339 . 1 . 1 162 162 TYR C C 13 175.931 0 . . . . . . A 364 TYR C . 31058 1 1340 . 1 . 1 162 162 TYR CA C 13 58.588 0.042 . . . . . . A 364 TYR CA . 31058 1 1341 . 1 . 1 162 162 TYR CB C 13 38.301 0.002 . . . . . . A 364 TYR CB . 31058 1 1342 . 1 . 1 162 162 TYR CD1 C 13 132.624 0.177 . . . . . . A 364 TYR CD1 . 31058 1 1343 . 1 . 1 162 162 TYR N N 15 117.385 0.135 . . . . . . A 364 TYR N . 31058 1 1344 . 1 . 1 163 163 ILE H H 1 7.711 0.024 . . . . . . A 365 ILE H . 31058 1 1345 . 1 . 1 163 163 ILE HA H 1 3.77 0.01 . . . . . . A 365 ILE HA . 31058 1 1346 . 1 . 1 163 163 ILE HB H 1 1.833 0.021 . . . . . . A 365 ILE HB . 31058 1 1347 . 1 . 1 163 163 ILE HG13 H 1 0.925 0.023 . . . . . . A 365 ILE HG13 . 31058 1 1348 . 1 . 1 163 163 ILE HG21 H 1 0.563 0.003 . . . . . . A 365 ILE HG21 . 31058 1 1349 . 1 . 1 163 163 ILE HG22 H 1 0.563 0.003 . . . . . . A 365 ILE HG22 . 31058 1 1350 . 1 . 1 163 163 ILE HG23 H 1 0.563 0.003 . . . . . . A 365 ILE HG23 . 31058 1 1351 . 1 . 1 163 163 ILE HD11 H 1 0.734 0.013 . . . . . . A 365 ILE HD11 . 31058 1 1352 . 1 . 1 163 163 ILE HD12 H 1 0.734 0.013 . . . . . . A 365 ILE HD12 . 31058 1 1353 . 1 . 1 163 163 ILE HD13 H 1 0.734 0.013 . . . . . . A 365 ILE HD13 . 31058 1 1354 . 1 . 1 163 163 ILE C C 13 176.043 0 . . . . . . A 365 ILE C . 31058 1 1355 . 1 . 1 163 163 ILE CA C 13 61.894 0.033 . . . . . . A 365 ILE CA . 31058 1 1356 . 1 . 1 163 163 ILE CB C 13 38.577 0.111 . . . . . . A 365 ILE CB . 31058 1 1357 . 1 . 1 163 163 ILE CG2 C 13 17.107 0.181 . . . . . . A 365 ILE CG2 . 31058 1 1358 . 1 . 1 163 163 ILE N N 15 119.281 0.14 . . . . . . A 365 ILE N . 31058 1 1359 . 1 . 1 164 164 GLY H H 1 7.841 0.015 . . . . . . A 366 GLY H . 31058 1 1360 . 1 . 1 164 164 GLY HA2 H 1 3.771 0.01 . . . . . . A 366 GLY HA2 . 31058 1 1361 . 1 . 1 164 164 GLY C C 13 173.661 0 . . . . . . A 366 GLY C . 31058 1 1362 . 1 . 1 164 164 GLY CA C 13 45.624 0.055 . . . . . . A 366 GLY CA . 31058 1 1363 . 1 . 1 164 164 GLY N N 15 108.962 0.131 . . . . . . A 366 GLY N . 31058 1 1364 . 1 . 1 165 165 PHE H H 1 7.897 0.004 . . . . . . A 367 PHE H . 31058 1 1365 . 1 . 1 165 165 PHE HA H 1 4.544 0.02 . . . . . . A 367 PHE HA . 31058 1 1366 . 1 . 1 165 165 PHE HB2 H 1 3.056 0.005 . . . . . . A 367 PHE HB2 . 31058 1 1367 . 1 . 1 165 165 PHE C C 13 176.325 0 . . . . . . A 367 PHE C . 31058 1 1368 . 1 . 1 165 165 PHE CA C 13 58.019 0.013 . . . . . . A 367 PHE CA . 31058 1 1369 . 1 . 1 165 165 PHE CB C 13 39.423 0.238 . . . . . . A 367 PHE CB . 31058 1 1370 . 1 . 1 165 165 PHE N N 15 118.831 0.053 . . . . . . A 367 PHE N . 31058 1 1371 . 1 . 1 166 166 ARG H H 1 8.168 0.022 . . . . . . A 368 ARG H . 31058 1 1372 . 1 . 1 166 166 ARG HA H 1 4.241 0.018 . . . . . . A 368 ARG HA . 31058 1 1373 . 1 . 1 166 166 ARG HB2 H 1 1.794 0.003 . . . . . . A 368 ARG HB2 . 31058 1 1374 . 1 . 1 166 166 ARG C C 13 176.724 0 . . . . . . A 368 ARG C . 31058 1 1375 . 1 . 1 166 166 ARG CA C 13 56.83 0.123 . . . . . . A 368 ARG CA . 31058 1 1376 . 1 . 1 166 166 ARG CB C 13 30.562 0.015 . . . . . . A 368 ARG CB . 31058 1 1377 . 1 . 1 166 166 ARG N N 15 121.683 0.147 . . . . . . A 368 ARG N . 31058 1 1378 . 1 . 1 167 167 GLY H H 1 8.005 0.009 . . . . . . A 369 GLY H . 31058 1 1379 . 1 . 1 167 167 GLY HA2 H 1 3.834 0.026 . . . . . . A 369 GLY HA2 . 31058 1 1380 . 1 . 1 167 167 GLY C C 13 174.381 0 . . . . . . A 369 GLY C . 31058 1 1381 . 1 . 1 167 167 GLY CA C 13 45.72 0.219 . . . . . . A 369 GLY CA . 31058 1 1382 . 1 . 1 167 167 GLY N N 15 108.384 0.09 . . . . . . A 369 GLY N . 31058 1 1383 . 1 . 1 168 168 LEU H H 1 7.967 0.015 . . . . . . A 370 LEU H . 31058 1 1384 . 1 . 1 168 168 LEU HA H 1 4.265 0.022 . . . . . . A 370 LEU HA . 31058 1 1385 . 1 . 1 168 168 LEU HB2 H 1 1.625 0.004 . . . . . . A 370 LEU HB2 . 31058 1 1386 . 1 . 1 168 168 LEU HD11 H 1 0.837 0.015 . . . . . . A 370 LEU HD11 . 31058 1 1387 . 1 . 1 168 168 LEU HD12 H 1 0.837 0.015 . . . . . . A 370 LEU HD12 . 31058 1 1388 . 1 . 1 168 168 LEU HD13 H 1 0.837 0.015 . . . . . . A 370 LEU HD13 . 31058 1 1389 . 1 . 1 168 168 LEU C C 13 176.524 0 . . . . . . A 370 LEU C . 31058 1 1390 . 1 . 1 168 168 LEU CA C 13 55.442 0.123 . . . . . . A 370 LEU CA . 31058 1 1391 . 1 . 1 168 168 LEU CB C 13 42.267 0.116 . . . . . . A 370 LEU CB . 31058 1 1392 . 1 . 1 168 168 LEU N N 15 120.538 0.109 . . . . . . A 370 LEU N . 31058 1 1393 . 1 . 1 169 169 ASP H H 1 8.097 0.004 . . . . . . A 371 ASP H . 31058 1 1394 . 1 . 1 169 169 ASP HA H 1 4.502 0.004 . . . . . . A 371 ASP HA . 31058 1 1395 . 1 . 1 169 169 ASP HB2 H 1 2.715 0.013 . . . . . . A 371 ASP HB2 . 31058 1 1396 . 1 . 1 169 169 ASP C C 13 176.533 0 . . . . . . A 371 ASP C . 31058 1 1397 . 1 . 1 169 169 ASP CA C 13 54.452 0.025 . . . . . . A 371 ASP CA . 31058 1 1398 . 1 . 1 169 169 ASP CB C 13 41.243 0.085 . . . . . . A 371 ASP CB . 31058 1 1399 . 1 . 1 169 169 ASP N N 15 118.367 0.183 . . . . . . A 371 ASP N . 31058 1 1400 . 1 . 1 170 170 GLY H H 1 8.088 0.005 . . . . . . A 372 GLY H . 31058 1 1401 . 1 . 1 170 170 GLY HA2 H 1 3.886 0.01 . . . . . . A 372 GLY HA2 . 31058 1 1402 . 1 . 1 170 170 GLY C C 13 174.098 0 . . . . . . A 372 GLY C . 31058 1 1403 . 1 . 1 170 170 GLY CA C 13 45.492 0.031 . . . . . . A 372 GLY CA . 31058 1 1404 . 1 . 1 170 170 GLY N N 15 107.966 0.093 . . . . . . A 372 GLY N . 31058 1 1405 . 1 . 1 171 171 VAL H H 1 7.794 0.005 . . . . . . A 373 VAL H . 31058 1 1406 . 1 . 1 171 171 VAL HA H 1 3.948 0.021 . . . . . . A 373 VAL HA . 31058 1 1407 . 1 . 1 171 171 VAL HB H 1 2.018 0.019 . . . . . . A 373 VAL HB . 31058 1 1408 . 1 . 1 171 171 VAL HG11 H 1 0.867 0.018 . . . . . . A 373 VAL HG11 . 31058 1 1409 . 1 . 1 171 171 VAL HG12 H 1 0.867 0.018 . . . . . . A 373 VAL HG12 . 31058 1 1410 . 1 . 1 171 171 VAL HG13 H 1 0.867 0.018 . . . . . . A 373 VAL HG13 . 31058 1 1411 . 1 . 1 171 171 VAL C C 13 175.884 0 . . . . . . A 373 VAL C . 31058 1 1412 . 1 . 1 171 171 VAL CA C 13 62.98 0.37 . . . . . . A 373 VAL CA . 31058 1 1413 . 1 . 1 171 171 VAL CB C 13 32.753 0.076 . . . . . . A 373 VAL CB . 31058 1 1414 . 1 . 1 171 171 VAL CG2 C 13 20.863 0.203 . . . . . . A 373 VAL CG2 . 31058 1 1415 . 1 . 1 171 171 VAL N N 15 118.796 0.133 . . . . . . A 373 VAL N . 31058 1 1416 . 1 . 1 172 172 HIS H H 1 8.542 0.012 . . . . . . A 374 HIS H . 31058 1 1417 . 1 . 1 172 172 HIS HA H 1 4.543 0 . . . . . . A 374 HIS HA . 31058 1 1418 . 1 . 1 172 172 HIS C C 13 174.235 0 . . . . . . A 374 HIS C . 31058 1 1419 . 1 . 1 172 172 HIS CA C 13 55.219 0.06 . . . . . . A 374 HIS CA . 31058 1 1420 . 1 . 1 172 172 HIS N N 15 121.419 0.175 . . . . . . A 374 HIS N . 31058 1 1421 . 1 . 1 173 173 CYS H H 1 8.132 0.005 . . . . . . A 375 CYS H . 31058 1 1422 . 1 . 1 173 173 CYS HA H 1 4.555 0 . . . . . . A 375 CYS HA . 31058 1 1423 . 1 . 1 173 173 CYS C C 13 173.586 0 . . . . . . A 375 CYS C . 31058 1 1424 . 1 . 1 173 173 CYS CA C 13 58.297 0.026 . . . . . . A 375 CYS CA . 31058 1 1425 . 1 . 1 173 173 CYS N N 15 116.879 0.095 . . . . . . A 375 CYS N . 31058 1 1426 . 1 . 1 174 174 VAL H H 1 7.991 0.058 . . . . . . A 376 VAL H . 31058 1 1427 . 1 . 1 174 174 VAL HA H 1 4.169 0.01 . . . . . . A 376 VAL HA . 31058 1 1428 . 1 . 1 174 174 VAL HG11 H 1 0.841 0.012 . . . . . . A 376 VAL HG11 . 31058 1 1429 . 1 . 1 174 174 VAL HG12 H 1 0.841 0.012 . . . . . . A 376 VAL HG12 . 31058 1 1430 . 1 . 1 174 174 VAL HG13 H 1 0.841 0.012 . . . . . . A 376 VAL HG13 . 31058 1 1431 . 1 . 1 174 174 VAL CA C 13 59.655 0 . . . . . . A 376 VAL CA . 31058 1 1432 . 1 . 1 174 174 VAL N N 15 121.738 0.387 . . . . . . A 376 VAL N . 31058 1 1433 . 1 . 1 175 175 PRO HB3 H 1 1.951 0.011 . . . . . . A 377 PRO HB3 . 31058 1 1434 . 1 . 1 175 175 PRO C C 13 176.434 0 . . . . . . A 377 PRO C . 31058 1 1435 . 1 . 1 175 175 PRO CA C 13 63.152 0.122 . . . . . . A 377 PRO CA . 31058 1 1436 . 1 . 1 175 175 PRO CB C 13 31.886 0.081 . . . . . . A 377 PRO CB . 31058 1 1437 . 1 . 1 176 176 THR H H 1 8.061 0.006 . . . . . . A 378 THR H . 31058 1 1438 . 1 . 1 176 176 THR HA H 1 4.459 0.009 . . . . . . A 378 THR HA . 31058 1 1439 . 1 . 1 176 176 THR HB H 1 4.243 0.014 . . . . . . A 378 THR HB . 31058 1 1440 . 1 . 1 176 176 THR HG21 H 1 1.241 0.017 . . . . . . A 378 THR HG21 . 31058 1 1441 . 1 . 1 176 176 THR HG22 H 1 1.241 0.017 . . . . . . A 378 THR HG22 . 31058 1 1442 . 1 . 1 176 176 THR HG23 H 1 1.241 0.017 . . . . . . A 378 THR HG23 . 31058 1 1443 . 1 . 1 176 176 THR CA C 13 59.661 0.002 . . . . . . A 378 THR CA . 31058 1 1444 . 1 . 1 176 176 THR CB C 13 69.452 0.111 . . . . . . A 378 THR CB . 31058 1 1445 . 1 . 1 176 176 THR N N 15 115.787 0.113 . . . . . . A 378 THR N . 31058 1 1446 . 1 . 1 177 177 PRO HA H 1 4.391 0.023 . . . . . . A 379 PRO HA . 31058 1 1447 . 1 . 1 177 177 PRO HB2 H 1 2.214 0.011 . . . . . . A 379 PRO HB2 . 31058 1 1448 . 1 . 1 177 177 PRO HB3 H 1 1.913 0.004 . . . . . . A 379 PRO HB3 . 31058 1 1449 . 1 . 1 177 177 PRO HG2 H 1 2.249 0.001 . . . . . . A 379 PRO HG2 . 31058 1 1450 . 1 . 1 177 177 PRO C C 13 176.543 0 . . . . . . A 379 PRO C . 31058 1 1451 . 1 . 1 177 177 PRO CA C 13 63.584 0.071 . . . . . . A 379 PRO CA . 31058 1 1452 . 1 . 1 177 177 PRO CB C 13 31.936 0.083 . . . . . . A 379 PRO CB . 31058 1 1453 . 1 . 1 178 178 ASP H H 1 8.241 0.006 . . . . . . A 380 ASP H . 31058 1 1454 . 1 . 1 178 178 ASP HA H 1 4.528 0.025 . . . . . . A 380 ASP HA . 31058 1 1455 . 1 . 1 178 178 ASP HB2 H 1 2.633 0.009 . . . . . . A 380 ASP HB2 . 31058 1 1456 . 1 . 1 178 178 ASP C C 13 176.284 0 . . . . . . A 380 ASP C . 31058 1 1457 . 1 . 1 178 178 ASP CA C 13 54.311 0.032 . . . . . . A 380 ASP CA . 31058 1 1458 . 1 . 1 178 178 ASP CB C 13 40.89 0.098 . . . . . . A 380 ASP CB . 31058 1 1459 . 1 . 1 178 178 ASP N N 15 119.782 0.139 . . . . . . A 380 ASP N . 31058 1 1460 . 1 . 1 179 179 SER H H 1 8.101 0.005 . . . . . . A 381 SER H . 31058 1 1461 . 1 . 1 179 179 SER HA H 1 4.38 0.009 . . . . . . A 381 SER HA . 31058 1 1462 . 1 . 1 179 179 SER HB2 H 1 3.864 0.019 . . . . . . A 381 SER HB2 . 31058 1 1463 . 1 . 1 179 179 SER C C 13 175.133 0 . . . . . . A 381 SER C . 31058 1 1464 . 1 . 1 179 179 SER CA C 13 58.906 0.094 . . . . . . A 381 SER CA . 31058 1 1465 . 1 . 1 179 179 SER CB C 13 63.851 0.017 . . . . . . A 381 SER CB . 31058 1 1466 . 1 . 1 179 179 SER N N 15 115.991 0.062 . . . . . . A 381 SER N . 31058 1 1467 . 1 . 1 180 180 GLY H H 1 8.356 0.006 . . . . . . A 382 GLY H . 31058 1 1468 . 1 . 1 180 180 GLY HA2 H 1 3.927 0.015 . . . . . . A 382 GLY HA2 . 31058 1 1469 . 1 . 1 180 180 GLY HA3 H 1 3.924 0.007 . . . . . . A 382 GLY HA3 . 31058 1 1470 . 1 . 1 180 180 GLY C C 13 174.112 0 . . . . . . A 382 GLY C . 31058 1 1471 . 1 . 1 180 180 GLY CA C 13 45.542 0.119 . . . . . . A 382 GLY CA . 31058 1 1472 . 1 . 1 180 180 GLY N N 15 110.481 0.043 . . . . . . A 382 GLY N . 31058 1 1473 . 1 . 1 181 181 VAL H H 1 7.774 0.004 . . . . . . A 383 VAL H . 31058 1 1474 . 1 . 1 181 181 VAL HA H 1 4.162 0.01 . . . . . . A 383 VAL HA . 31058 1 1475 . 1 . 1 181 181 VAL HB H 1 2.003 0.015 . . . . . . A 383 VAL HB . 31058 1 1476 . 1 . 1 181 181 VAL HG11 H 1 0.867 0.011 . . . . . . A 383 VAL HG11 . 31058 1 1477 . 1 . 1 181 181 VAL HG12 H 1 0.867 0.011 . . . . . . A 383 VAL HG12 . 31058 1 1478 . 1 . 1 181 181 VAL HG13 H 1 0.867 0.011 . . . . . . A 383 VAL HG13 . 31058 1 1479 . 1 . 1 181 181 VAL C C 13 176.271 0 . . . . . . A 383 VAL C . 31058 1 1480 . 1 . 1 181 181 VAL CA C 13 62.643 0.055 . . . . . . A 383 VAL CA . 31058 1 1481 . 1 . 1 181 181 VAL CB C 13 32.543 0.122 . . . . . . A 383 VAL CB . 31058 1 1482 . 1 . 1 181 181 VAL N N 15 119.176 0.081 . . . . . . A 383 VAL N . 31058 1 1483 . 1 . 1 182 182 VAL H H 1 8.024 0.013 . . . . . . A 384 VAL H . 31058 1 1484 . 1 . 1 182 182 VAL HA H 1 4.128 0.006 . . . . . . A 384 VAL HA . 31058 1 1485 . 1 . 1 182 182 VAL HB H 1 2.018 0.001 . . . . . . A 384 VAL HB . 31058 1 1486 . 1 . 1 182 182 VAL HG11 H 1 0.885 0.013 . . . . . . A 384 VAL HG11 . 31058 1 1487 . 1 . 1 182 182 VAL HG12 H 1 0.885 0.013 . . . . . . A 384 VAL HG12 . 31058 1 1488 . 1 . 1 182 182 VAL HG13 H 1 0.885 0.013 . . . . . . A 384 VAL HG13 . 31058 1 1489 . 1 . 1 182 182 VAL C C 13 176.084 0 . . . . . . A 384 VAL C . 31058 1 1490 . 1 . 1 182 182 VAL CA C 13 62.453 0.041 . . . . . . A 384 VAL CA . 31058 1 1491 . 1 . 1 182 182 VAL CB C 13 32.49 0.065 . . . . . . A 384 VAL CB . 31058 1 1492 . 1 . 1 182 182 VAL N N 15 122.579 0.099 . . . . . . A 384 VAL N . 31058 1 1493 . 1 . 1 183 183 CYS H H 1 8.248 0.005 . . . . . . A 385 CYS H . 31058 1 1494 . 1 . 1 183 183 CYS HA H 1 4.479 0.021 . . . . . . A 385 CYS HA . 31058 1 1495 . 1 . 1 183 183 CYS C C 13 174.996 0 . . . . . . A 385 CYS C . 31058 1 1496 . 1 . 1 183 183 CYS CA C 13 58.507 0.013 . . . . . . A 385 CYS CA . 31058 1 1497 . 1 . 1 183 183 CYS N N 15 121.355 0.112 . . . . . . A 385 CYS N . 31058 1 1498 . 1 . 1 184 184 GLY H H 1 8.255 0.004 . . . . . . A 386 GLY H . 31058 1 1499 . 1 . 1 184 184 GLY HA2 H 1 3.915 0.006 . . . . . . A 386 GLY HA2 . 31058 1 1500 . 1 . 1 184 184 GLY C C 13 174.071 0 . . . . . . A 386 GLY C . 31058 1 1501 . 1 . 1 184 184 GLY CA C 13 45.246 0.185 . . . . . . A 386 GLY CA . 31058 1 1502 . 1 . 1 184 184 GLY N N 15 110.488 0.11 . . . . . . A 386 GLY N . 31058 1 1503 . 1 . 1 185 185 ARG H H 1 8.008 0.008 . . . . . . A 387 ARG H . 31058 1 1504 . 1 . 1 185 185 ARG HA H 1 4.254 0.018 . . . . . . A 387 ARG HA . 31058 1 1505 . 1 . 1 185 185 ARG HB2 H 1 1.744 0.021 . . . . . . A 387 ARG HB2 . 31058 1 1506 . 1 . 1 185 185 ARG C C 13 176.325 0.009 . . . . . . A 387 ARG C . 31058 1 1507 . 1 . 1 185 185 ARG CA C 13 56.215 0.088 . . . . . . A 387 ARG CA . 31058 1 1508 . 1 . 1 185 185 ARG CB C 13 30.687 0.041 . . . . . . A 387 ARG CB . 31058 1 1509 . 1 . 1 185 185 ARG N N 15 120.252 0.096 . . . . . . A 387 ARG N . 31058 1 1510 . 1 . 1 186 186 MET H H 1 8.239 0.005 . . . . . . A 388 MET H . 31058 1 1511 . 1 . 1 186 186 MET HA H 1 4.282 0.012 . . . . . . A 388 MET HA . 31058 1 1512 . 1 . 1 186 186 MET HB2 H 1 1.954 0.009 . . . . . . A 388 MET HB2 . 31058 1 1513 . 1 . 1 186 186 MET C C 13 175.818 0 . . . . . . A 388 MET C . 31058 1 1514 . 1 . 1 186 186 MET CA C 13 55.576 0.022 . . . . . . A 388 MET CA . 31058 1 1515 . 1 . 1 186 186 MET CB C 13 32.889 0.057 . . . . . . A 388 MET CB . 31058 1 1516 . 1 . 1 186 186 MET N N 15 121.176 0.133 . . . . . . A 388 MET N . 31058 1 1517 . 1 . 1 187 187 ALA H H 1 8.158 0.008 . . . . . . A 389 ALA H . 31058 1 1518 . 1 . 1 187 187 ALA HA H 1 4.327 0.042 . . . . . . A 389 ALA HA . 31058 1 1519 . 1 . 1 187 187 ALA HB1 H 1 1.359 0.009 . . . . . . A 389 ALA HB1 . 31058 1 1520 . 1 . 1 187 187 ALA HB2 H 1 1.359 0.009 . . . . . . A 389 ALA HB2 . 31058 1 1521 . 1 . 1 187 187 ALA HB3 H 1 1.359 0.009 . . . . . . A 389 ALA HB3 . 31058 1 1522 . 1 . 1 187 187 ALA C C 13 177.485 0 . . . . . . A 389 ALA C . 31058 1 1523 . 1 . 1 187 187 ALA CA C 13 52.507 0.052 . . . . . . A 389 ALA CA . 31058 1 1524 . 1 . 1 187 187 ALA CB C 13 19.304 0.047 . . . . . . A 389 ALA CB . 31058 1 1525 . 1 . 1 187 187 ALA N N 15 125.057 0.12 . . . . . . A 389 ALA N . 31058 1 1526 . 1 . 1 188 188 CYS H H 1 8.107 0.006 . . . . . . A 390 CYS H . 31058 1 1527 . 1 . 1 188 188 CYS HA H 1 4.534 0 . . . . . . A 390 CYS HA . 31058 1 1528 . 1 . 1 188 188 CYS C C 13 174.126 0 . . . . . . A 390 CYS C . 31058 1 1529 . 1 . 1 188 188 CYS CA C 13 58.071 0.041 . . . . . . A 390 CYS CA . 31058 1 1530 . 1 . 1 188 188 CYS N N 15 117.354 0.148 . . . . . . A 390 CYS N . 31058 1 1531 . 1 . 1 189 189 SER H H 1 8.133 0.013 . . . . . . A 391 SER H . 31058 1 1532 . 1 . 1 189 189 SER HA H 1 4.745 0.022 . . . . . . A 391 SER HA . 31058 1 1533 . 1 . 1 189 189 SER HB2 H 1 3.796 0.024 . . . . . . A 391 SER HB2 . 31058 1 1534 . 1 . 1 189 189 SER CA C 13 56.353 0.082 . . . . . . A 391 SER CA . 31058 1 1535 . 1 . 1 189 189 SER CB C 13 63.69 0 . . . . . . A 391 SER CB . 31058 1 1536 . 1 . 1 189 189 SER N N 15 118.313 0.125 . . . . . . A 391 SER N . 31058 1 1537 . 1 . 1 190 190 PRO HB3 H 1 1.95 0.01 . . . . . . A 392 PRO HB3 . 31058 1 1538 . 1 . 1 190 190 PRO C C 13 177.098 0 . . . . . . A 392 PRO C . 31058 1 1539 . 1 . 1 190 190 PRO CA C 13 63.539 0.019 . . . . . . A 392 PRO CA . 31058 1 1540 . 1 . 1 190 190 PRO CB C 13 31.935 0.12 . . . . . . A 392 PRO CB . 31058 1 1541 . 1 . 1 191 191 THR H H 1 7.984 0.006 . . . . . . A 393 THR H . 31058 1 1542 . 1 . 1 191 191 THR HA H 1 4.524 0.019 . . . . . . A 393 THR HA . 31058 1 1543 . 1 . 1 191 191 THR HB H 1 4.15 0.001 . . . . . . A 393 THR HB . 31058 1 1544 . 1 . 1 191 191 THR HG21 H 1 1.129 0.01 . . . . . . A 393 THR HG21 . 31058 1 1545 . 1 . 1 191 191 THR HG22 H 1 1.129 0.01 . . . . . . A 393 THR HG22 . 31058 1 1546 . 1 . 1 191 191 THR HG23 H 1 1.129 0.01 . . . . . . A 393 THR HG23 . 31058 1 1547 . 1 . 1 191 191 THR C C 13 174.461 0 . . . . . . A 393 THR C . 31058 1 1548 . 1 . 1 191 191 THR CA C 13 61.832 0.068 . . . . . . A 393 THR CA . 31058 1 1549 . 1 . 1 191 191 THR CB C 13 69.636 0.115 . . . . . . A 393 THR CB . 31058 1 1550 . 1 . 1 191 191 THR N N 15 112.994 0.121 . . . . . . A 393 THR N . 31058 1 1551 . 1 . 1 192 192 HIS H H 1 8.262 0.005 . . . . . . A 394 HIS H . 31058 1 1552 . 1 . 1 192 192 HIS HA H 1 4.537 0 . . . . . . A 394 HIS HA . 31058 1 1553 . 1 . 1 192 192 HIS C C 13 173.887 0 . . . . . . A 394 HIS C . 31058 1 1554 . 1 . 1 192 192 HIS CA C 13 55.476 0.023 . . . . . . A 394 HIS CA . 31058 1 1555 . 1 . 1 192 192 HIS CB C 13 29.056 0.022 . . . . . . A 394 HIS CB . 31058 1 1556 . 1 . 1 192 192 HIS N N 15 120.261 0.1 . . . . . . A 394 HIS N . 31058 1 1557 . 1 . 1 193 193 ASP H H 1 8.211 0.012 . . . . . . A 395 ASP H . 31058 1 1558 . 1 . 1 193 193 ASP HA H 1 4.559 0.007 . . . . . . A 395 ASP HA . 31058 1 1559 . 1 . 1 193 193 ASP HB2 H 1 2.575 0.014 . . . . . . A 395 ASP HB2 . 31058 1 1560 . 1 . 1 193 193 ASP C C 13 176.236 0 . . . . . . A 395 ASP C . 31058 1 1561 . 1 . 1 193 193 ASP CA C 13 54.302 0.054 . . . . . . A 395 ASP CA . 31058 1 1562 . 1 . 1 193 193 ASP CB C 13 41.168 0.176 . . . . . . A 395 ASP CB . 31058 1 1563 . 1 . 1 193 193 ASP N N 15 121.535 0.107 . . . . . . A 395 ASP N . 31058 1 1564 . 1 . 1 194 194 GLU H H 1 8.490 0.003 . . . . . . A 396 GLU H . 31058 1 1565 . 1 . 1 194 194 GLU HA H 1 4.183 0.018 . . . . . . A 396 GLU HA . 31058 1 1566 . 1 . 1 194 194 GLU HB2 H 1 1.876 0.025 . . . . . . A 396 GLU HB2 . 31058 1 1567 . 1 . 1 194 194 GLU HG2 H 1 2.205 0.02 . . . . . . A 396 GLU HG2 . 31058 1 1568 . 1 . 1 194 194 GLU C C 13 176.738 0 . . . . . . A 396 GLU C . 31058 1 1569 . 1 . 1 194 194 GLU CA C 13 57.101 0.036 . . . . . . A 396 GLU CA . 31058 1 1570 . 1 . 1 194 194 GLU CB C 13 29.649 0.211 . . . . . . A 396 GLU CB . 31058 1 1571 . 1 . 1 194 194 GLU CG C 13 35.856 0.015 . . . . . . A 396 GLU CG . 31058 1 1572 . 1 . 1 194 194 GLU N N 15 122.411 0.127 . . . . . . A 396 GLU N . 31058 1 1573 . 1 . 1 195 195 HIS H H 1 8.466 0.01 . . . . . . A 397 HIS H . 31058 1 1574 . 1 . 1 195 195 HIS HA H 1 4.543 0.005 . . . . . . A 397 HIS HA . 31058 1 1575 . 1 . 1 195 195 HIS HB2 H 1 3.163 0 . . . . . . A 397 HIS HB2 . 31058 1 1576 . 1 . 1 195 195 HIS C C 13 174.741 0 . . . . . . A 397 HIS C . 31058 1 1577 . 1 . 1 195 195 HIS CA C 13 56.188 0.021 . . . . . . A 397 HIS CA . 31058 1 1578 . 1 . 1 195 195 HIS CB C 13 28.295 0.048 . . . . . . A 397 HIS CB . 31058 1 1579 . 1 . 1 195 195 HIS N N 15 118.371 0.122 . . . . . . A 397 HIS N . 31058 1 1580 . 1 . 1 196 196 LEU H H 1 7.923 0.008 . . . . . . A 398 LEU H . 31058 1 1581 . 1 . 1 196 196 LEU HA H 1 4.22 0.018 . . . . . . A 398 LEU HA . 31058 1 1582 . 1 . 1 196 196 LEU HB2 H 1 1.538 0.017 . . . . . . A 398 LEU HB2 . 31058 1 1583 . 1 . 1 196 196 LEU HD11 H 1 0.833 0.024 . . . . . . A 398 LEU HD11 . 31058 1 1584 . 1 . 1 196 196 LEU HD12 H 1 0.833 0.024 . . . . . . A 398 LEU HD12 . 31058 1 1585 . 1 . 1 196 196 LEU HD13 H 1 0.833 0.024 . . . . . . A 398 LEU HD13 . 31058 1 1586 . 1 . 1 196 196 LEU C C 13 177.172 0 . . . . . . A 398 LEU C . 31058 1 1587 . 1 . 1 196 196 LEU CA C 13 55.548 0.095 . . . . . . A 398 LEU CA . 31058 1 1588 . 1 . 1 196 196 LEU CB C 13 42.153 0.063 . . . . . . A 398 LEU CB . 31058 1 1589 . 1 . 1 196 196 LEU N N 15 121.371 0.166 . . . . . . A 398 LEU N . 31058 1 1590 . 1 . 1 197 197 LEU H H 1 7.947 0.012 . . . . . . A 399 LEU H . 31058 1 1591 . 1 . 1 197 197 LEU HA H 1 4.234 0.02 . . . . . . A 399 LEU HA . 31058 1 1592 . 1 . 1 197 197 LEU HB2 H 1 1.484 0.02 . . . . . . A 399 LEU HB2 . 31058 1 1593 . 1 . 1 197 197 LEU HD11 H 1 0.821 0.008 . . . . . . A 399 LEU HD11 . 31058 1 1594 . 1 . 1 197 197 LEU HD12 H 1 0.821 0.008 . . . . . . A 399 LEU HD12 . 31058 1 1595 . 1 . 1 197 197 LEU HD13 H 1 0.821 0.008 . . . . . . A 399 LEU HD13 . 31058 1 1596 . 1 . 1 197 197 LEU C C 13 177.183 0 . . . . . . A 399 LEU C . 31058 1 1597 . 1 . 1 197 197 LEU CA C 13 55.412 0.08 . . . . . . A 399 LEU CA . 31058 1 1598 . 1 . 1 197 197 LEU CB C 13 42.198 0.038 . . . . . . A 399 LEU CB . 31058 1 1599 . 1 . 1 197 197 LEU CD1 C 13 24.687 0.047 . . . . . . A 399 LEU CD1 . 31058 1 1600 . 1 . 1 197 197 LEU N N 15 121.086 0.127 . . . . . . A 399 LEU N . 31058 1 1601 . 1 . 1 198 198 HIS H H 1 8.265 0.011 . . . . . . A 400 HIS H . 31058 1 1602 . 1 . 1 198 198 HIS HA H 1 4.549 0.014 . . . . . . A 400 HIS HA . 31058 1 1603 . 1 . 1 198 198 HIS HB2 H 1 3.228 0.034 . . . . . . A 400 HIS HB2 . 31058 1 1604 . 1 . 1 198 198 HIS C C 13 174.908 0 . . . . . . A 400 HIS C . 31058 1 1605 . 1 . 1 198 198 HIS CA C 13 55.213 0.036 . . . . . . A 400 HIS CA . 31058 1 1606 . 1 . 1 198 198 HIS CB C 13 28.949 0.161 . . . . . . A 400 HIS CB . 31058 1 1607 . 1 . 1 198 198 HIS N N 15 117.910 0.133 . . . . . . A 400 HIS N . 31058 1 1608 . 1 . 1 199 199 GLY H H 1 8.152 0.007 . . . . . . A 401 GLY H . 31058 1 1609 . 1 . 1 199 199 GLY HA2 H 1 3.964 0.028 . . . . . . A 401 GLY HA2 . 31058 1 1610 . 1 . 1 199 199 GLY C C 13 174.435 0 . . . . . . A 401 GLY C . 31058 1 1611 . 1 . 1 199 199 GLY CA C 13 45.372 0.029 . . . . . . A 401 GLY CA . 31058 1 1612 . 1 . 1 199 199 GLY N N 15 109.691 0.118 . . . . . . A 401 GLY N . 31058 1 1613 . 1 . 1 200 200 GLY H H 1 8.15 0.005 . . . . . . A 402 GLY H . 31058 1 1614 . 1 . 1 200 200 GLY HA2 H 1 3.888 0.02 . . . . . . A 402 GLY HA2 . 31058 1 1615 . 1 . 1 200 200 GLY C C 13 173.626 0 . . . . . . A 402 GLY C . 31058 1 1616 . 1 . 1 200 200 GLY CA C 13 45.023 0.075 . . . . . . A 402 GLY CA . 31058 1 1617 . 1 . 1 200 200 GLY N N 15 108.411 0.105 . . . . . . A 402 GLY N . 31058 1 1618 . 1 . 1 201 201 GLN H H 1 8.071 0.006 . . . . . . A 403 GLN H . 31058 1 1619 . 1 . 1 201 201 GLN HA H 1 4.253 0.01 . . . . . . A 403 GLN HA . 31058 1 1620 . 1 . 1 201 201 GLN HB2 H 1 1.944 0.011 . . . . . . A 403 GLN HB2 . 31058 1 1621 . 1 . 1 201 201 GLN HG2 H 1 2.269 0.022 . . . . . . A 403 GLN HG2 . 31058 1 1622 . 1 . 1 201 201 GLN CA C 13 53.579 0.031 . . . . . . A 403 GLN CA . 31058 1 1623 . 1 . 1 201 201 GLN CB C 13 28.907 0.015 . . . . . . A 403 GLN CB . 31058 1 1624 . 1 . 1 201 201 GLN CG C 13 31.95 0.074 . . . . . . A 403 GLN CG . 31058 1 1625 . 1 . 1 201 201 GLN N N 15 120.496 0.087 . . . . . . A 403 GLN N . 31058 1 1626 . 1 . 1 203 203 PRO HA H 1 4.401 0.024 . . . . . . A 405 PRO HA . 31058 1 1627 . 1 . 1 203 203 PRO HD2 H 1 3.796 0.01 . . . . . . A 405 PRO HD2 . 31058 1 1628 . 1 . 1 203 203 PRO C C 13 176.911 0 . . . . . . A 405 PRO C . 31058 1 1629 . 1 . 1 203 203 PRO CA C 13 63.434 0.145 . . . . . . A 405 PRO CA . 31058 1 1630 . 1 . 1 203 203 PRO CB C 13 31.74 0 . . . . . . A 405 PRO CB . 31058 1 1631 . 1 . 1 203 203 PRO CD C 13 50.491 0.113 . . . . . . A 405 PRO CD . 31058 1 1632 . 1 . 1 204 204 GLU H H 1 8.466 0.004 . . . . . . A 406 GLU H . 31058 1 1633 . 1 . 1 204 204 GLU HA H 1 4.292 0.088 . . . . . . A 406 GLU HA . 31058 1 1634 . 1 . 1 204 204 GLU HB2 H 1 1.975 0.03 . . . . . . A 406 GLU HB2 . 31058 1 1635 . 1 . 1 204 204 GLU HG2 H 1 2.24 0.003 . . . . . . A 406 GLU HG2 . 31058 1 1636 . 1 . 1 204 204 GLU C C 13 176.565 0 . . . . . . A 406 GLU C . 31058 1 1637 . 1 . 1 204 204 GLU CA C 13 56.634 0.048 . . . . . . A 406 GLU CA . 31058 1 1638 . 1 . 1 204 204 GLU CB C 13 28.322 1.16 . . . . . . A 406 GLU CB . 31058 1 1639 . 1 . 1 204 204 GLU CG C 13 35.942 0.068 . . . . . . A 406 GLU CG . 31058 1 1640 . 1 . 1 204 204 GLU N N 15 119.863 0.125 . . . . . . A 406 GLU N . 31058 1 1641 . 1 . 1 205 205 GLY H H 1 8.167 0.008 . . . . . . A 407 GLY H . 31058 1 1642 . 1 . 1 205 205 GLY HA2 H 1 3.923 0.011 . . . . . . A 407 GLY HA2 . 31058 1 1643 . 1 . 1 205 205 GLY C C 13 173.626 0 . . . . . . A 407 GLY C . 31058 1 1644 . 1 . 1 205 205 GLY CA C 13 45.056 0.078 . . . . . . A 407 GLY CA . 31058 1 1645 . 1 . 1 205 205 GLY N N 15 109.048 0.098 . . . . . . A 407 GLY N . 31058 1 1646 . 1 . 1 206 206 ASP H H 1 8.071 0.005 . . . . . . A 408 ASP H . 31058 1 1647 . 1 . 1 206 206 ASP HA H 1 4.555 0.004 . . . . . . A 408 ASP HA . 31058 1 1648 . 1 . 1 206 206 ASP HB2 H 1 2.649 0.006 . . . . . . A 408 ASP HB2 . 31058 1 1649 . 1 . 1 206 206 ASP CA C 13 52.201 0 . . . . . . A 408 ASP CA . 31058 1 1650 . 1 . 1 206 206 ASP CB C 13 41.139 0.081 . . . . . . A 408 ASP CB . 31058 1 1651 . 1 . 1 206 206 ASP N N 15 120.496 0.136 . . . . . . A 408 ASP N . 31058 1 1652 . 1 . 1 207 207 PRO C C 13 177.847 0 . . . . . . A 409 PRO C . 31058 1 1653 . 1 . 1 207 207 PRO CA C 13 64.305 0 . . . . . . A 409 PRO CA . 31058 1 1654 . 1 . 1 208 208 ASP H H 1 8.211 0.024 . . . . . . A 410 ASP H . 31058 1 1655 . 1 . 1 208 208 ASP HA H 1 4.5 0 . . . . . . A 410 ASP HA . 31058 1 1656 . 1 . 1 208 208 ASP HB2 H 1 2.622 0.066 . . . . . . A 410 ASP HB2 . 31058 1 1657 . 1 . 1 208 208 ASP C C 13 177.928 0 . . . . . . A 410 ASP C . 31058 1 1658 . 1 . 1 208 208 ASP CA C 13 56.252 0.035 . . . . . . A 410 ASP CA . 31058 1 1659 . 1 . 1 208 208 ASP N N 15 119.108 0.082 . . . . . . A 410 ASP N . 31058 1 1660 . 1 . 1 209 209 LEU H H 1 8.121 0.007 . . . . . . A 411 LEU H . 31058 1 1661 . 1 . 1 209 209 LEU HB2 H 1 1.699 0.001 . . . . . . A 411 LEU HB2 . 31058 1 1662 . 1 . 1 209 209 LEU C C 13 178.208 0 . . . . . . A 411 LEU C . 31058 1 1663 . 1 . 1 209 209 LEU CA C 13 57.491 0.062 . . . . . . A 411 LEU CA . 31058 1 1664 . 1 . 1 209 209 LEU CB C 13 42.257 0 . . . . . . A 411 LEU CB . 31058 1 1665 . 1 . 1 209 209 LEU N N 15 121.298 0.048 . . . . . . A 411 LEU N . 31058 1 1666 . 1 . 1 210 210 ALA H H 1 8.008 0.017 . . . . . . A 412 ALA H . 31058 1 1667 . 1 . 1 210 210 ALA HB1 H 1 1.251 0.012 . . . . . . A 412 ALA HB1 . 31058 1 1668 . 1 . 1 210 210 ALA HB2 H 1 1.251 0.012 . . . . . . A 412 ALA HB2 . 31058 1 1669 . 1 . 1 210 210 ALA HB3 H 1 1.251 0.012 . . . . . . A 412 ALA HB3 . 31058 1 1670 . 1 . 1 210 210 ALA CA C 13 55.606 0 . . . . . . A 412 ALA CA . 31058 1 1671 . 1 . 1 210 210 ALA N N 15 120.252 0.096 . . . . . . A 412 ALA N . 31058 1 1672 . 1 . 1 211 211 LYS C C 13 179.174 0 . . . . . . A 413 LYS C . 31058 1 1673 . 1 . 1 211 211 LYS CA C 13 58.858 0 . . . . . . A 413 LYS CA . 31058 1 1674 . 1 . 1 212 212 ILE H H 1 7.737 0.011 . . . . . . A 414 ILE H . 31058 1 1675 . 1 . 1 212 212 ILE HA H 1 3.877 0.014 . . . . . . A 414 ILE HA . 31058 1 1676 . 1 . 1 212 212 ILE C C 13 177.75 0 . . . . . . A 414 ILE C . 31058 1 1677 . 1 . 1 212 212 ILE CA C 13 64.837 0.014 . . . . . . A 414 ILE CA . 31058 1 1678 . 1 . 1 212 212 ILE N N 15 119.499 0.123 . . . . . . A 414 ILE N . 31058 1 1679 . 1 . 1 213 213 LEU H H 1 8.211 0.004 . . . . . . A 415 LEU H . 31058 1 1680 . 1 . 1 213 213 LEU HA H 1 3.927 0.012 . . . . . . A 415 LEU HA . 31058 1 1681 . 1 . 1 213 213 LEU C C 13 179.115 0 . . . . . . A 415 LEU C . 31058 1 1682 . 1 . 1 213 213 LEU CA C 13 58.216 0.006 . . . . . . A 415 LEU CA . 31058 1 1683 . 1 . 1 213 213 LEU N N 15 119.108 0.177 . . . . . . A 415 LEU N . 31058 1 1684 . 1 . 1 214 214 GLU H H 1 7.882 0.007 . . . . . . A 416 GLU H . 31058 1 1685 . 1 . 1 214 214 GLU HA H 1 3.952 0 . . . . . . A 416 GLU HA . 31058 1 1686 . 1 . 1 214 214 GLU HB2 H 1 2.068 0.014 . . . . . . A 416 GLU HB2 . 31058 1 1687 . 1 . 1 214 214 GLU C C 13 179.044 0 . . . . . . A 416 GLU C . 31058 1 1688 . 1 . 1 214 214 GLU CA C 13 59.308 0.141 . . . . . . A 416 GLU CA . 31058 1 1689 . 1 . 1 214 214 GLU N N 15 119.148 0.181 . . . . . . A 416 GLU N . 31058 1 1690 . 1 . 1 215 215 GLU H H 1 7.882 0.005 . . . . . . A 417 GLU H . 31058 1 1691 . 1 . 1 215 215 GLU HA H 1 3.895 0 . . . . . . A 417 GLU HA . 31058 1 1692 . 1 . 1 215 215 GLU HB2 H 1 2.085 0.007 . . . . . . A 417 GLU HB2 . 31058 1 1693 . 1 . 1 215 215 GLU HG2 H 1 2.355 0.012 . . . . . . A 417 GLU HG2 . 31058 1 1694 . 1 . 1 215 215 GLU C C 13 178.634 0 . . . . . . A 417 GLU C . 31058 1 1695 . 1 . 1 215 215 GLU CA C 13 59.238 0.04 . . . . . . A 417 GLU CA . 31058 1 1696 . 1 . 1 215 215 GLU N N 15 119.787 0.095 . . . . . . A 417 GLU N . 31058 1 1697 . 1 . 1 216 216 VAL H H 1 8.265 0.014 . . . . . . A 418 VAL H . 31058 1 1698 . 1 . 1 216 216 VAL HB H 1 2.238 0 . . . . . . A 418 VAL HB . 31058 1 1699 . 1 . 1 216 216 VAL HG11 H 1 0.855 0.006 . . . . . . A 418 VAL HG11 . 31058 1 1700 . 1 . 1 216 216 VAL HG12 H 1 0.855 0.006 . . . . . . A 418 VAL HG12 . 31058 1 1701 . 1 . 1 216 216 VAL HG13 H 1 0.855 0.006 . . . . . . A 418 VAL HG13 . 31058 1 1702 . 1 . 1 216 216 VAL C C 13 177.156 0 . . . . . . A 418 VAL C . 31058 1 1703 . 1 . 1 216 216 VAL CA C 13 66.643 0.03 . . . . . . A 418 VAL CA . 31058 1 1704 . 1 . 1 216 216 VAL N N 15 117.910 0.145 . . . . . . A 418 VAL N . 31058 1 1705 . 1 . 1 217 217 ARG H H 1 8.113 0.012 . . . . . . A 419 ARG H . 31058 1 1706 . 1 . 1 217 217 ARG HA H 1 3.904 0 . . . . . . A 419 ARG HA . 31058 1 1707 . 1 . 1 217 217 ARG HB2 H 1 1.937 0 . . . . . . A 419 ARG HB2 . 31058 1 1708 . 1 . 1 217 217 ARG C C 13 177.808 0 . . . . . . A 419 ARG C . 31058 1 1709 . 1 . 1 217 217 ARG CA C 13 59.977 0.003 . . . . . . A 419 ARG CA . 31058 1 1710 . 1 . 1 217 217 ARG N N 15 120.067 0.121 . . . . . . A 419 ARG N . 31058 1 1711 . 1 . 1 218 218 TYR H H 1 7.897 0.008 . . . . . . A 420 TYR H . 31058 1 1712 . 1 . 1 218 218 TYR HA H 1 4.156 0 . . . . . . A 420 TYR HA . 31058 1 1713 . 1 . 1 218 218 TYR HB2 H 1 2.942 0.006 . . . . . . A 420 TYR HB2 . 31058 1 1714 . 1 . 1 218 218 TYR C C 13 178.066 0 . . . . . . A 420 TYR C . 31058 1 1715 . 1 . 1 218 218 TYR CA C 13 61.351 0.076 . . . . . . A 420 TYR CA . 31058 1 1716 . 1 . 1 218 218 TYR N N 15 118.831 0.113 . . . . . . A 420 TYR N . 31058 1 1717 . 1 . 1 219 219 ILE H H 1 8.023 0.007 . . . . . . A 421 ILE H . 31058 1 1718 . 1 . 1 219 219 ILE HA H 1 3.822 0.099 . . . . . . A 421 ILE HA . 31058 1 1719 . 1 . 1 219 219 ILE HB H 1 1.935 0 . . . . . . A 421 ILE HB . 31058 1 1720 . 1 . 1 219 219 ILE C C 13 177.471 0 . . . . . . A 421 ILE C . 31058 1 1721 . 1 . 1 219 219 ILE CA C 13 64.184 0.007 . . . . . . A 421 ILE CA . 31058 1 1722 . 1 . 1 219 219 ILE N N 15 118.735 0.125 . . . . . . A 421 ILE N . 31058 1 1723 . 1 . 1 220 220 ALA H H 1 8.474 0.018 . . . . . . A 422 ALA H . 31058 1 1724 . 1 . 1 220 220 ALA HA H 1 3.916 0.006 . . . . . . A 422 ALA HA . 31058 1 1725 . 1 . 1 220 220 ALA HB1 H 1 1.403 0.038 . . . . . . A 422 ALA HB1 . 31058 1 1726 . 1 . 1 220 220 ALA HB2 H 1 1.403 0.038 . . . . . . A 422 ALA HB2 . 31058 1 1727 . 1 . 1 220 220 ALA HB3 H 1 1.403 0.038 . . . . . . A 422 ALA HB3 . 31058 1 1728 . 1 . 1 220 220 ALA C C 13 179.126 0 . . . . . . A 422 ALA C . 31058 1 1729 . 1 . 1 220 220 ALA CA C 13 55.306 0.165 . . . . . . A 422 ALA CA . 31058 1 1730 . 1 . 1 220 220 ALA CB C 13 17.682 0 . . . . . . A 422 ALA CB . 31058 1 1731 . 1 . 1 220 220 ALA N N 15 121.132 0.148 . . . . . . A 422 ALA N . 31058 1 1732 . 1 . 1 221 221 ASN H H 1 7.942 0.01 . . . . . . A 423 ASN H . 31058 1 1733 . 1 . 1 221 221 ASN HA H 1 4.482 0.011 . . . . . . A 423 ASN HA . 31058 1 1734 . 1 . 1 221 221 ASN HB3 H 1 2.748 0 . . . . . . A 423 ASN HB3 . 31058 1 1735 . 1 . 1 221 221 ASN CA C 13 54.951 0.006 . . . . . . A 423 ASN CA . 31058 1 1736 . 1 . 1 221 221 ASN N N 15 114.592 0.142 . . . . . . A 423 ASN N . 31058 1 1737 . 1 . 1 222 222 ARG H H 1 7.794 0.006 . . . . . . A 424 ARG H . 31058 1 1738 . 1 . 1 222 222 ARG CA C 13 56.7 0.014 . . . . . . A 424 ARG CA . 31058 1 1739 . 1 . 1 222 222 ARG N N 15 118.796 0.048 . . . . . . A 424 ARG N . 31058 1 1740 . 1 . 1 223 223 PHE H H 1 7.701 0.015 . . . . . . A 425 PHE H . 31058 1 1741 . 1 . 1 223 223 PHE HA H 1 4.303 0.011 . . . . . . A 425 PHE HA . 31058 1 1742 . 1 . 1 223 223 PHE C C 13 178.976 0 . . . . . . A 425 PHE C . 31058 1 1743 . 1 . 1 223 223 PHE CA C 13 58.376 0 . . . . . . A 425 PHE CA . 31058 1 1744 . 1 . 1 223 223 PHE N N 15 118.135 0.149 . . . . . . A 425 PHE N . 31058 1 1745 . 1 . 1 224 224 ARG H H 1 8.314 0.014 . . . . . . A 426 ARG H . 31058 1 1746 . 1 . 1 224 224 ARG HA H 1 3.993 0.016 . . . . . . A 426 ARG HA . 31058 1 1747 . 1 . 1 224 224 ARG CA C 13 57.861 0 . . . . . . A 426 ARG CA . 31058 1 1748 . 1 . 1 224 224 ARG N N 15 122.756 0.094 . . . . . . A 426 ARG N . 31058 1 1749 . 1 . 1 226 226 GLN C C 13 175.937 0 . . . . . . A 428 GLN C . 31058 1 1750 . 1 . 1 226 226 GLN CA C 13 56.93 0 . . . . . . A 428 GLN CA . 31058 1 1751 . 1 . 1 227 227 ASP H H 1 8.113 0.011 . . . . . . A 429 ASP H . 31058 1 1752 . 1 . 1 227 227 ASP HA H 1 4.262 0.001 . . . . . . A 429 ASP HA . 31058 1 1753 . 1 . 1 227 227 ASP HB2 H 1 2.627 0.01 . . . . . . A 429 ASP HB2 . 31058 1 1754 . 1 . 1 227 227 ASP C C 13 176.598 0 . . . . . . A 429 ASP C . 31058 1 1755 . 1 . 1 227 227 ASP CA C 13 54.904 0.101 . . . . . . A 429 ASP CA . 31058 1 1756 . 1 . 1 227 227 ASP N N 15 120.067 0.129 . . . . . . A 429 ASP N . 31058 1 1757 . 1 . 1 228 228 GLU H H 1 8.204 0.008 . . . . . . A 430 GLU H . 31058 1 1758 . 1 . 1 228 228 GLU HA H 1 3.947 0 . . . . . . A 430 GLU HA . 31058 1 1759 . 1 . 1 228 228 GLU HB2 H 1 2.03 0.016 . . . . . . A 430 GLU HB2 . 31058 1 1760 . 1 . 1 228 228 GLU C C 13 176.781 0 . . . . . . A 430 GLU C . 31058 1 1761 . 1 . 1 228 228 GLU CA C 13 57.348 0.01 . . . . . . A 430 GLU CA . 31058 1 1762 . 1 . 1 228 228 GLU N N 15 120.879 0.159 . . . . . . A 430 GLU N . 31058 1 1763 . 1 . 1 229 229 SER H H 1 8.161 0.007 . . . . . . A 431 SER H . 31058 1 1764 . 1 . 1 229 229 SER HA H 1 4.253 0.005 . . . . . . A 431 SER HA . 31058 1 1765 . 1 . 1 229 229 SER HB2 H 1 3.867 0.001 . . . . . . A 431 SER HB2 . 31058 1 1766 . 1 . 1 229 229 SER C C 13 175.499 0 . . . . . . A 431 SER C . 31058 1 1767 . 1 . 1 229 229 SER CA C 13 59.884 0.071 . . . . . . A 431 SER CA . 31058 1 1768 . 1 . 1 229 229 SER N N 15 115.507 0.15 . . . . . . A 431 SER N . 31058 1 1769 . 1 . 1 230 230 GLU H H 1 8.232 0.01 . . . . . . A 432 GLU H . 31058 1 1770 . 1 . 1 230 230 GLU HA H 1 4.105 0.152 . . . . . . A 432 GLU HA . 31058 1 1771 . 1 . 1 230 230 GLU HB2 H 1 2.028 0.009 . . . . . . A 432 GLU HB2 . 31058 1 1772 . 1 . 1 230 230 GLU HG2 H 1 2.261 0.031 . . . . . . A 432 GLU HG2 . 31058 1 1773 . 1 . 1 230 230 GLU C C 13 177.161 0 . . . . . . A 432 GLU C . 31058 1 1774 . 1 . 1 230 230 GLU CA C 13 57.769 0.071 . . . . . . A 432 GLU CA . 31058 1 1775 . 1 . 1 230 230 GLU CB C 13 30.135 0.069 . . . . . . A 432 GLU CB . 31058 1 1776 . 1 . 1 230 230 GLU N N 15 122.120 0.046 . . . . . . A 432 GLU N . 31058 1 1777 . 1 . 1 231 231 ALA H H 1 8.027 0.017 . . . . . . A 433 ALA H . 31058 1 1778 . 1 . 1 231 231 ALA HA H 1 4.204 0.018 . . . . . . A 433 ALA HA . 31058 1 1779 . 1 . 1 231 231 ALA HB1 H 1 1.374 0.019 . . . . . . A 433 ALA HB1 . 31058 1 1780 . 1 . 1 231 231 ALA HB2 H 1 1.374 0.019 . . . . . . A 433 ALA HB2 . 31058 1 1781 . 1 . 1 231 231 ALA HB3 H 1 1.374 0.019 . . . . . . A 433 ALA HB3 . 31058 1 1782 . 1 . 1 231 231 ALA C C 13 178.532 0 . . . . . . A 433 ALA C . 31058 1 1783 . 1 . 1 231 231 ALA CA C 13 53.511 0.198 . . . . . . A 433 ALA CA . 31058 1 1784 . 1 . 1 231 231 ALA CB C 13 18.994 0.051 . . . . . . A 433 ALA CB . 31058 1 1785 . 1 . 1 231 231 ALA N N 15 123.058 0.155 . . . . . . A 433 ALA N . 31058 1 1786 . 1 . 1 232 232 VAL H H 1 7.789 0.011 . . . . . . A 434 VAL H . 31058 1 1787 . 1 . 1 232 232 VAL HA H 1 4.001 0.017 . . . . . . A 434 VAL HA . 31058 1 1788 . 1 . 1 232 232 VAL HB H 1 2.173 0.019 . . . . . . A 434 VAL HB . 31058 1 1789 . 1 . 1 232 232 VAL HG11 H 1 0.952 0.011 . . . . . . A 434 VAL HG11 . 31058 1 1790 . 1 . 1 232 232 VAL HG12 H 1 0.952 0.011 . . . . . . A 434 VAL HG12 . 31058 1 1791 . 1 . 1 232 232 VAL HG13 H 1 0.952 0.011 . . . . . . A 434 VAL HG13 . 31058 1 1792 . 1 . 1 232 232 VAL CA C 13 63.469 0.187 . . . . . . A 434 VAL CA . 31058 1 1793 . 1 . 1 232 232 VAL N N 15 116.247 0.113 . . . . . . A 434 VAL N . 31058 1 1794 . 1 . 1 234 234 SER HA H 1 4.288 0 . . . . . . A 436 SER HA . 31058 1 1795 . 1 . 1 234 234 SER HB2 H 1 3.877 0 . . . . . . A 436 SER HB2 . 31058 1 1796 . 1 . 1 234 234 SER C C 13 175.009 0 . . . . . . A 436 SER C . 31058 1 1797 . 1 . 1 234 234 SER CA C 13 59.217 0 . . . . . . A 436 SER CA . 31058 1 1798 . 1 . 1 235 235 GLU H H 1 8.366 0.012 . . . . . . A 437 GLU H . 31058 1 1799 . 1 . 1 235 235 GLU HB2 H 1 1.97 0.013 . . . . . . A 437 GLU HB2 . 31058 1 1800 . 1 . 1 235 235 GLU HG2 H 1 2.222 0.008 . . . . . . A 437 GLU HG2 . 31058 1 1801 . 1 . 1 235 235 GLU CA C 13 56.842 0.133 . . . . . . A 437 GLU CA . 31058 1 1802 . 1 . 1 235 235 GLU CG C 13 36.002 0.121 . . . . . . A 437 GLU CG . 31058 1 1803 . 1 . 1 235 235 GLU N N 15 121.564 0.108 . . . . . . A 437 GLU N . 31058 1 1804 . 1 . 1 236 236 TRP HA H 1 4.388 0.018 . . . . . . A 438 TRP HA . 31058 1 1805 . 1 . 1 236 236 TRP HE1 H 1 10.430 0.008 . . . . . . A 438 TRP HE1 . 31058 1 1806 . 1 . 1 236 236 TRP CA C 13 58.455 0.203 . . . . . . A 438 TRP CA . 31058 1 1807 . 1 . 1 236 236 TRP NE1 N 15 129.942 0.127 . . . . . . A 438 TRP NE1 . 31058 1 1808 . 1 . 1 237 237 LYS H H 1 7.741 0.005 . . . . . . A 439 LYS H . 31058 1 1809 . 1 . 1 237 237 LYS CA C 13 56.405 0 . . . . . . A 439 LYS CA . 31058 1 1810 . 1 . 1 237 237 LYS N N 15 120.034 0.168 . . . . . . A 439 LYS N . 31058 1 1811 . 1 . 1 238 238 PHE CA C 13 58.372 0 . . . . . . A 440 PHE CA . 31058 1 1812 . 1 . 1 239 239 ALA H H 1 7.749 0.001 . . . . . . A 441 ALA H . 31058 1 1813 . 1 . 1 239 239 ALA HB1 H 1 1.365 0.012 . . . . . . A 441 ALA HB1 . 31058 1 1814 . 1 . 1 239 239 ALA HB2 H 1 1.365 0.012 . . . . . . A 441 ALA HB2 . 31058 1 1815 . 1 . 1 239 239 ALA HB3 H 1 1.365 0.012 . . . . . . A 441 ALA HB3 . 31058 1 1816 . 1 . 1 239 239 ALA CA C 13 52.577 0.155 . . . . . . A 441 ALA CA . 31058 1 1817 . 1 . 1 239 239 ALA CB C 13 19.331 0.123 . . . . . . A 441 ALA CB . 31058 1 1818 . 1 . 1 239 239 ALA N N 15 118.418 0.082 . . . . . . A 441 ALA N . 31058 1 1819 . 1 . 1 240 240 ALA HB1 H 1 1.381 0.017 . . . . . . A 442 ALA HB1 . 31058 1 1820 . 1 . 1 240 240 ALA HB2 H 1 1.381 0.017 . . . . . . A 442 ALA HB2 . 31058 1 1821 . 1 . 1 240 240 ALA HB3 H 1 1.381 0.017 . . . . . . A 442 ALA HB3 . 31058 1 1822 . 1 . 1 240 240 ALA CB C 13 19.305 0.065 . . . . . . A 442 ALA CB . 31058 1 1823 . 1 . 1 241 241 CYS C C 13 174.878 0 . . . . . . A 443 CYS C . 31058 1 1824 . 1 . 1 241 241 CYS CA C 13 58.337 0 . . . . . . A 443 CYS CA . 31058 1 1825 . 1 . 1 242 242 VAL H H 1 7.686 0.003 . . . . . . A 444 VAL H . 31058 1 1826 . 1 . 1 242 242 VAL HA H 1 3.733 0.017 . . . . . . A 444 VAL HA . 31058 1 1827 . 1 . 1 242 242 VAL HB H 1 2.14 0.012 . . . . . . A 444 VAL HB . 31058 1 1828 . 1 . 1 242 242 VAL HG11 H 1 1.022 0.002 . . . . . . A 444 VAL HG11 . 31058 1 1829 . 1 . 1 242 242 VAL HG12 H 1 1.022 0.002 . . . . . . A 444 VAL HG12 . 31058 1 1830 . 1 . 1 242 242 VAL HG13 H 1 1.022 0.002 . . . . . . A 444 VAL HG13 . 31058 1 1831 . 1 . 1 242 242 VAL CA C 13 62.175 0.117 . . . . . . A 444 VAL CA . 31058 1 1832 . 1 . 1 242 242 VAL CG1 C 13 22.2 0.003 . . . . . . A 444 VAL CG1 . 31058 1 1833 . 1 . 1 242 242 VAL N N 15 118.604 0.095 . . . . . . A 444 VAL N . 31058 1 1834 . 1 . 1 244 244 ASP H H 1 8.234 0.018 . . . . . . A 446 ASP H . 31058 1 1835 . 1 . 1 244 244 ASP HA H 1 4.317 0.012 . . . . . . A 446 ASP HA . 31058 1 1836 . 1 . 1 244 244 ASP HB2 H 1 2.598 0.014 . . . . . . A 446 ASP HB2 . 31058 1 1837 . 1 . 1 244 244 ASP C C 13 176.972 0.01 . . . . . . A 446 ASP C . 31058 1 1838 . 1 . 1 244 244 ASP CA C 13 57.157 0.05 . . . . . . A 446 ASP CA . 31058 1 1839 . 1 . 1 244 244 ASP CB C 13 39.868 0.01 . . . . . . A 446 ASP CB . 31058 1 1840 . 1 . 1 244 244 ASP N N 15 121.592 0.093 . . . . . . A 446 ASP N . 31058 1 1841 . 1 . 1 245 245 ARG H H 1 7.866 0.015 . . . . . . A 447 ARG H . 31058 1 1842 . 1 . 1 245 245 ARG HA H 1 4.014 0.016 . . . . . . A 447 ARG HA . 31058 1 1843 . 1 . 1 245 245 ARG HB2 H 1 2.091 0.015 . . . . . . A 447 ARG HB2 . 31058 1 1844 . 1 . 1 245 245 ARG HG3 H 1 1.604 0.01 . . . . . . A 447 ARG HG3 . 31058 1 1845 . 1 . 1 245 245 ARG HD2 H 1 3.167 0.015 . . . . . . A 447 ARG HD2 . 31058 1 1846 . 1 . 1 245 245 ARG C C 13 176.625 0.01 . . . . . . A 447 ARG C . 31058 1 1847 . 1 . 1 245 245 ARG CA C 13 59.739 0.037 . . . . . . A 447 ARG CA . 31058 1 1848 . 1 . 1 245 245 ARG CB C 13 30.115 0.01 . . . . . . A 447 ARG CB . 31058 1 1849 . 1 . 1 245 245 ARG CG C 13 27.19 0.106 . . . . . . A 447 ARG CG . 31058 1 1850 . 1 . 1 245 245 ARG CD C 13 43.504 0.016 . . . . . . A 447 ARG CD . 31058 1 1851 . 1 . 1 245 245 ARG N N 15 118.505 0.422 . . . . . . A 447 ARG N . 31058 1 1852 . 1 . 1 246 246 LEU H H 1 7.789 0.013 . . . . . . A 448 LEU H . 31058 1 1853 . 1 . 1 246 246 LEU HA H 1 3.941 0.015 . . . . . . A 448 LEU HA . 31058 1 1854 . 1 . 1 246 246 LEU HB2 H 1 1.773 0.011 . . . . . . A 448 LEU HB2 . 31058 1 1855 . 1 . 1 246 246 LEU HD11 H 1 0.898 0.012 . . . . . . A 448 LEU HD11 . 31058 1 1856 . 1 . 1 246 246 LEU HD12 H 1 0.898 0.012 . . . . . . A 448 LEU HD12 . 31058 1 1857 . 1 . 1 246 246 LEU HD13 H 1 0.898 0.012 . . . . . . A 448 LEU HD13 . 31058 1 1858 . 1 . 1 246 246 LEU CA C 13 58.442 0.043 . . . . . . A 448 LEU CA . 31058 1 1859 . 1 . 1 246 246 LEU CB C 13 41.974 0.01 . . . . . . A 448 LEU CB . 31058 1 1860 . 1 . 1 246 246 LEU CD1 C 13 25.177 0.158 . . . . . . A 448 LEU CD1 . 31058 1 1861 . 1 . 1 246 246 LEU N N 15 116.247 0.077 . . . . . . A 448 LEU N . 31058 1 1862 . 1 . 1 247 247 CYS H H 1 8.405 0.015 . . . . . . A 449 CYS H . 31058 1 1863 . 1 . 1 247 247 CYS HA H 1 4.047 0.013 . . . . . . A 449 CYS HA . 31058 1 1864 . 1 . 1 247 247 CYS HB2 H 1 3.175 0.011 . . . . . . A 449 CYS HB2 . 31058 1 1865 . 1 . 1 247 247 CYS HB3 H 1 2.614 0.01 . . . . . . A 449 CYS HB3 . 31058 1 1866 . 1 . 1 247 247 CYS C C 13 177.817 0.01 . . . . . . A 449 CYS C . 31058 1 1867 . 1 . 1 247 247 CYS CA C 13 64.614 0.03 . . . . . . A 449 CYS CA . 31058 1 1868 . 1 . 1 247 247 CYS CB C 13 27.053 0.108 . . . . . . A 449 CYS CB . 31058 1 1869 . 1 . 1 247 247 CYS N N 15 116.886 0.107 . . . . . . A 449 CYS N . 31058 1 1870 . 1 . 1 248 248 LEU H H 1 8.165 0.011 . . . . . . A 450 LEU H . 31058 1 1871 . 1 . 1 248 248 LEU HA H 1 4.059 0.015 . . . . . . A 450 LEU HA . 31058 1 1872 . 1 . 1 248 248 LEU HB2 H 1 1.716 0.011 . . . . . . A 450 LEU HB2 . 31058 1 1873 . 1 . 1 248 248 LEU HD11 H 1 0.881 0.01 . . . . . . A 450 LEU HD11 . 31058 1 1874 . 1 . 1 248 248 LEU HD12 H 1 0.881 0.01 . . . . . . A 450 LEU HD12 . 31058 1 1875 . 1 . 1 248 248 LEU HD13 H 1 0.881 0.01 . . . . . . A 450 LEU HD13 . 31058 1 1876 . 1 . 1 248 248 LEU C C 13 179.889 0.01 . . . . . . A 450 LEU C . 31058 1 1877 . 1 . 1 248 248 LEU CA C 13 58.51 0.056 . . . . . . A 450 LEU CA . 31058 1 1878 . 1 . 1 248 248 LEU CB C 13 41.909 0.01 . . . . . . A 450 LEU CB . 31058 1 1879 . 1 . 1 248 248 LEU CD1 C 13 25.164 0.105 . . . . . . A 450 LEU CD1 . 31058 1 1880 . 1 . 1 248 248 LEU N N 15 119.564 0.126 . . . . . . A 450 LEU N . 31058 1 1881 . 1 . 1 249 249 MET H H 1 8.487 0.017 . . . . . . A 451 MET H . 31058 1 1882 . 1 . 1 249 249 MET HA H 1 4.058 0.017 . . . . . . A 451 MET HA . 31058 1 1883 . 1 . 1 249 249 MET HB2 H 1 1.929 0.013 . . . . . . A 451 MET HB2 . 31058 1 1884 . 1 . 1 249 249 MET HG2 H 1 2.765 0.016 . . . . . . A 451 MET HG2 . 31058 1 1885 . 1 . 1 249 249 MET C C 13 178.998 0.01 . . . . . . A 451 MET C . 31058 1 1886 . 1 . 1 249 249 MET CA C 13 59.512 0.063 . . . . . . A 451 MET CA . 31058 1 1887 . 1 . 1 249 249 MET CB C 13 31.952 0.01 . . . . . . A 451 MET CB . 31058 1 1888 . 1 . 1 249 249 MET CG C 13 33.424 0.01 . . . . . . A 451 MET CG . 31058 1 1889 . 1 . 1 249 249 MET N N 15 120.78 0.024 . . . . . . A 451 MET N . 31058 1 1890 . 1 . 1 250 250 ALA H H 1 8.717 0.01 . . . . . . A 452 ALA H . 31058 1 1891 . 1 . 1 250 250 ALA HA H 1 3.991 0.028 . . . . . . A 452 ALA HA . 31058 1 1892 . 1 . 1 250 250 ALA HB1 H 1 1.411 0.014 . . . . . . A 452 ALA HB1 . 31058 1 1893 . 1 . 1 250 250 ALA HB2 H 1 1.411 0.014 . . . . . . A 452 ALA HB2 . 31058 1 1894 . 1 . 1 250 250 ALA HB3 H 1 1.411 0.014 . . . . . . A 452 ALA HB3 . 31058 1 1895 . 1 . 1 250 250 ALA C C 13 177.967 0.01 . . . . . . A 452 ALA C . 31058 1 1896 . 1 . 1 250 250 ALA CA C 13 55.595 0.094 . . . . . . A 452 ALA CA . 31058 1 1897 . 1 . 1 250 250 ALA CB C 13 18.239 0.09 . . . . . . A 452 ALA CB . 31058 1 1898 . 1 . 1 250 250 ALA N N 15 121.305 0.08 . . . . . . A 452 ALA N . 31058 1 1899 . 1 . 1 251 251 PHE H H 1 8.643 0.016 . . . . . . A 453 PHE H . 31058 1 1900 . 1 . 1 251 251 PHE HA H 1 4.16 0.011 . . . . . . A 453 PHE HA . 31058 1 1901 . 1 . 1 251 251 PHE HB2 H 1 3.15 0.013 . . . . . . A 453 PHE HB2 . 31058 1 1902 . 1 . 1 251 251 PHE HD1 H 1 7.226 0.012 . . . . . . A 453 PHE HD1 . 31058 1 1903 . 1 . 1 251 251 PHE HE1 H 1 7.17 0.025 . . . . . . A 453 PHE HE1 . 31058 1 1904 . 1 . 1 251 251 PHE C C 13 178.156 0.01 . . . . . . A 453 PHE C . 31058 1 1905 . 1 . 1 251 251 PHE CA C 13 61.427 0.011 . . . . . . A 453 PHE CA . 31058 1 1906 . 1 . 1 251 251 PHE CB C 13 38.386 0.01 . . . . . . A 453 PHE CB . 31058 1 1907 . 1 . 1 251 251 PHE CD1 C 13 131.239 0.136 . . . . . . A 453 PHE CD1 . 31058 1 1908 . 1 . 1 251 251 PHE CE1 C 13 130.442 0.01 . . . . . . A 453 PHE CE1 . 31058 1 1909 . 1 . 1 251 251 PHE N N 15 116.448 0.075 . . . . . . A 453 PHE N . 31058 1 1910 . 1 . 1 252 252 SER H H 1 7.82 0.013 . . . . . . A 454 SER H . 31058 1 1911 . 1 . 1 252 252 SER HA H 1 4.106 0.01 . . . . . . A 454 SER HA . 31058 1 1912 . 1 . 1 252 252 SER HB2 H 1 3.943 0.01 . . . . . . A 454 SER HB2 . 31058 1 1913 . 1 . 1 252 252 SER C C 13 176.592 0.01 . . . . . . A 454 SER C . 31058 1 1914 . 1 . 1 252 252 SER CA C 13 63.216 0.186 . . . . . . A 454 SER CA . 31058 1 1915 . 1 . 1 252 252 SER N N 15 117.735 0.069 . . . . . . A 454 SER N . 31058 1 1916 . 1 . 1 253 253 VAL H H 1 8.211 0.015 . . . . . . A 455 VAL H . 31058 1 1917 . 1 . 1 253 253 VAL HA H 1 3.589 0.022 . . . . . . A 455 VAL HA . 31058 1 1918 . 1 . 1 253 253 VAL HB H 1 2.228 0.017 . . . . . . A 455 VAL HB . 31058 1 1919 . 1 . 1 253 253 VAL HG11 H 1 0.974 0.018 . . . . . . A 455 VAL HG11 . 31058 1 1920 . 1 . 1 253 253 VAL HG12 H 1 0.974 0.018 . . . . . . A 455 VAL HG12 . 31058 1 1921 . 1 . 1 253 253 VAL HG13 H 1 0.974 0.018 . . . . . . A 455 VAL HG13 . 31058 1 1922 . 1 . 1 253 253 VAL HG21 H 1 0.875 0.01 . . . . . . A 455 VAL HG21 . 31058 1 1923 . 1 . 1 253 253 VAL HG22 H 1 0.875 0.01 . . . . . . A 455 VAL HG22 . 31058 1 1924 . 1 . 1 253 253 VAL HG23 H 1 0.875 0.01 . . . . . . A 455 VAL HG23 . 31058 1 1925 . 1 . 1 253 253 VAL C C 13 178.998 0.01 . . . . . . A 455 VAL C . 31058 1 1926 . 1 . 1 253 253 VAL CA C 13 67.572 0.012 . . . . . . A 455 VAL CA . 31058 1 1927 . 1 . 1 253 253 VAL CB C 13 31.791 0.01 . . . . . . A 455 VAL CB . 31058 1 1928 . 1 . 1 253 253 VAL CG1 C 13 23.341 0.014 . . . . . . A 455 VAL CG1 . 31058 1 1929 . 1 . 1 253 253 VAL CG2 C 13 21.719 0.093 . . . . . . A 455 VAL CG2 . 31058 1 1930 . 1 . 1 253 253 VAL N N 15 119.108 0.175 . . . . . . A 455 VAL N . 31058 1 1931 . 1 . 1 254 254 PHE H H 1 8.677 0.033 . . . . . . A 456 PHE H . 31058 1 1932 . 1 . 1 254 254 PHE HA H 1 4.031 0.019 . . . . . . A 456 PHE HA . 31058 1 1933 . 1 . 1 254 254 PHE HB2 H 1 3.205 0.015 . . . . . . A 456 PHE HB2 . 31058 1 1934 . 1 . 1 254 254 PHE HD1 H 1 7.161 0.017 . . . . . . A 456 PHE HD1 . 31058 1 1935 . 1 . 1 254 254 PHE HE1 H 1 7.127 0.01 . . . . . . A 456 PHE HE1 . 31058 1 1936 . 1 . 1 254 254 PHE CA C 13 61.672 0.054 . . . . . . A 456 PHE CA . 31058 1 1937 . 1 . 1 254 254 PHE CB C 13 38.397 0.01 . . . . . . A 456 PHE CB . 31058 1 1938 . 1 . 1 254 254 PHE CD1 C 13 131.354 0.01 . . . . . . A 456 PHE CD1 . 31058 1 1939 . 1 . 1 254 254 PHE CE1 C 13 130.661 0.132 . . . . . . A 456 PHE CE1 . 31058 1 1940 . 1 . 1 254 254 PHE N N 15 120.947 0.117 . . . . . . A 456 PHE N . 31058 1 1941 . 1 . 1 255 255 THR HA H 1 3.727 0.01 . . . . . . A 457 THR HA . 31058 1 1942 . 1 . 1 255 255 THR HG21 H 1 1.116 0.014 . . . . . . A 457 THR HG21 . 31058 1 1943 . 1 . 1 255 255 THR HG22 H 1 1.116 0.014 . . . . . . A 457 THR HG22 . 31058 1 1944 . 1 . 1 255 255 THR HG23 H 1 1.116 0.014 . . . . . . A 457 THR HG23 . 31058 1 1945 . 1 . 1 255 255 THR C C 13 176.743 0.01 . . . . . . A 457 THR C . 31058 1 1946 . 1 . 1 255 255 THR CA C 13 68.301 0.01 . . . . . . A 457 THR CA . 31058 1 1947 . 1 . 1 255 255 THR CG2 C 13 21.958 0.109 . . . . . . A 457 THR CG2 . 31058 1 1948 . 1 . 1 256 256 ILE H H 1 8.021 0.017 . . . . . . A 458 ILE H . 31058 1 1949 . 1 . 1 256 256 ILE HA H 1 3.587 0.011 . . . . . . A 458 ILE HA . 31058 1 1950 . 1 . 1 256 256 ILE HB H 1 1.874 0.017 . . . . . . A 458 ILE HB . 31058 1 1951 . 1 . 1 256 256 ILE HG21 H 1 0.848 0.01 . . . . . . A 458 ILE HG21 . 31058 1 1952 . 1 . 1 256 256 ILE HG22 H 1 0.848 0.01 . . . . . . A 458 ILE HG22 . 31058 1 1953 . 1 . 1 256 256 ILE HG23 H 1 0.848 0.01 . . . . . . A 458 ILE HG23 . 31058 1 1954 . 1 . 1 256 256 ILE C C 13 176.625 0.01 . . . . . . A 458 ILE C . 31058 1 1955 . 1 . 1 256 256 ILE CA C 13 65.501 0.018 . . . . . . A 458 ILE CA . 31058 1 1956 . 1 . 1 256 256 ILE CB C 13 37.452 0.01 . . . . . . A 458 ILE CB . 31058 1 1957 . 1 . 1 256 256 ILE CG2 C 13 17.773 0.01 . . . . . . A 458 ILE CG2 . 31058 1 1958 . 1 . 1 256 256 ILE N N 15 118.724 0.01 . . . . . . A 458 ILE N . 31058 1 1959 . 1 . 1 257 257 ILE H H 1 7.894 0.01 . . . . . . A 459 ILE H . 31058 1 1960 . 1 . 1 257 257 ILE HA H 1 3.62 0.013 . . . . . . A 459 ILE HA . 31058 1 1961 . 1 . 1 257 257 ILE HB H 1 1.814 0.018 . . . . . . A 459 ILE HB . 31058 1 1962 . 1 . 1 257 257 ILE HG13 H 1 1.29 0.018 . . . . . . A 459 ILE HG13 . 31058 1 1963 . 1 . 1 257 257 ILE HG21 H 1 0.837 0.014 . . . . . . A 459 ILE HG21 . 31058 1 1964 . 1 . 1 257 257 ILE HG22 H 1 0.837 0.014 . . . . . . A 459 ILE HG22 . 31058 1 1965 . 1 . 1 257 257 ILE HG23 H 1 0.837 0.014 . . . . . . A 459 ILE HG23 . 31058 1 1966 . 1 . 1 257 257 ILE HD11 H 1 0.768 0.015 . . . . . . A 459 ILE HD11 . 31058 1 1967 . 1 . 1 257 257 ILE HD12 H 1 0.768 0.015 . . . . . . A 459 ILE HD12 . 31058 1 1968 . 1 . 1 257 257 ILE HD13 H 1 0.768 0.015 . . . . . . A 459 ILE HD13 . 31058 1 1969 . 1 . 1 257 257 ILE C C 13 177.54 0.01 . . . . . . A 459 ILE C . 31058 1 1970 . 1 . 1 257 257 ILE CA C 13 65.522 0.012 . . . . . . A 459 ILE CA . 31058 1 1971 . 1 . 1 257 257 ILE CB C 13 37.441 0.01 . . . . . . A 459 ILE CB . 31058 1 1972 . 1 . 1 257 257 ILE CG1 C 13 28.257 0.01 . . . . . . A 459 ILE CG1 . 31058 1 1973 . 1 . 1 257 257 ILE CG2 C 13 17.802 0.046 . . . . . . A 459 ILE CG2 . 31058 1 1974 . 1 . 1 257 257 ILE CD1 C 13 13.448 0.061 . . . . . . A 459 ILE CD1 . 31058 1 1975 . 1 . 1 257 257 ILE N N 15 119.435 0.128 . . . . . . A 459 ILE N . 31058 1 1976 . 1 . 1 258 258 CYS H H 1 8.206 0.016 . . . . . . A 460 CYS H . 31058 1 1977 . 1 . 1 258 258 CYS HA H 1 3.885 0.018 . . . . . . A 460 CYS HA . 31058 1 1978 . 1 . 1 258 258 CYS HB2 H 1 2.593 0.012 . . . . . . A 460 CYS HB2 . 31058 1 1979 . 1 . 1 258 258 CYS C C 13 177.425 0.01 . . . . . . A 460 CYS C . 31058 1 1980 . 1 . 1 258 258 CYS CA C 13 64.121 0.075 . . . . . . A 460 CYS CA . 31058 1 1981 . 1 . 1 258 258 CYS CB C 13 26.94 0.01 . . . . . . A 460 CYS CB . 31058 1 1982 . 1 . 1 258 258 CYS N N 15 116.809 0.085 . . . . . . A 460 CYS N . 31058 1 1983 . 1 . 1 259 259 THR H H 1 7.901 0.01 . . . . . . A 461 THR H . 31058 1 1984 . 1 . 1 259 259 THR HA H 1 3.71 0.01 . . . . . . A 461 THR HA . 31058 1 1985 . 1 . 1 259 259 THR HB H 1 4.199 0.01 . . . . . . A 461 THR HB . 31058 1 1986 . 1 . 1 259 259 THR HG21 H 1 1.063 0.019 . . . . . . A 461 THR HG21 . 31058 1 1987 . 1 . 1 259 259 THR HG22 H 1 1.063 0.019 . . . . . . A 461 THR HG22 . 31058 1 1988 . 1 . 1 259 259 THR HG23 H 1 1.063 0.019 . . . . . . A 461 THR HG23 . 31058 1 1989 . 1 . 1 259 259 THR CA C 13 68.236 0.05 . . . . . . A 461 THR CA . 31058 1 1990 . 1 . 1 259 259 THR CG2 C 13 21.459 0.176 . . . . . . A 461 THR CG2 . 31058 1 1991 . 1 . 1 259 259 THR N N 15 115.712 0.139 . . . . . . A 461 THR N . 31058 1 1992 . 1 . 1 260 260 ILE H H 1 7.971 0.018 . . . . . . A 462 ILE H . 31058 1 1993 . 1 . 1 260 260 ILE HA H 1 3.717 0.023 . . . . . . A 462 ILE HA . 31058 1 1994 . 1 . 1 260 260 ILE HB H 1 1.941 0.017 . . . . . . A 462 ILE HB . 31058 1 1995 . 1 . 1 260 260 ILE HG21 H 1 0.87 0.016 . . . . . . A 462 ILE HG21 . 31058 1 1996 . 1 . 1 260 260 ILE HG22 H 1 0.87 0.016 . . . . . . A 462 ILE HG22 . 31058 1 1997 . 1 . 1 260 260 ILE HG23 H 1 0.87 0.016 . . . . . . A 462 ILE HG23 . 31058 1 1998 . 1 . 1 260 260 ILE HD11 H 1 0.79 0.012 . . . . . . A 462 ILE HD11 . 31058 1 1999 . 1 . 1 260 260 ILE HD12 H 1 0.79 0.012 . . . . . . A 462 ILE HD12 . 31058 1 2000 . 1 . 1 260 260 ILE HD13 H 1 0.79 0.012 . . . . . . A 462 ILE HD13 . 31058 1 2001 . 1 . 1 260 260 ILE CA C 13 65.759 0.121 . . . . . . A 462 ILE CA . 31058 1 2002 . 1 . 1 260 260 ILE CB C 13 37.623 0.01 . . . . . . A 462 ILE CB . 31058 1 2003 . 1 . 1 260 260 ILE CG2 C 13 17.874 0.017 . . . . . . A 462 ILE CG2 . 31058 1 2004 . 1 . 1 260 260 ILE CD1 C 13 13.453 0.066 . . . . . . A 462 ILE CD1 . 31058 1 2005 . 1 . 1 260 260 ILE N N 15 118.867 0.089 . . . . . . A 462 ILE N . 31058 1 2006 . 1 . 1 261 261 GLY H H 1 8.484 0.019 . . . . . . A 463 GLY H . 31058 1 2007 . 1 . 1 261 261 GLY HA2 H 1 3.615 0.012 . . . . . . A 463 GLY HA2 . 31058 1 2008 . 1 . 1 261 261 GLY C C 13 175.794 0.01 . . . . . . A 463 GLY C . 31058 1 2009 . 1 . 1 261 261 GLY CA C 13 46.427 0.182 . . . . . . A 463 GLY CA . 31058 1 2010 . 1 . 1 261 261 GLY N N 15 105.982 0.128 . . . . . . A 463 GLY N . 31058 1 2011 . 1 . 1 262 262 ILE H H 1 8.138 0.017 . . . . . . A 464 ILE H . 31058 1 2012 . 1 . 1 262 262 ILE HA H 1 3.959 0.014 . . . . . . A 464 ILE HA . 31058 1 2013 . 1 . 1 262 262 ILE HB H 1 1.97 0.018 . . . . . . A 464 ILE HB . 31058 1 2014 . 1 . 1 262 262 ILE HG13 H 1 1.226 0.01 . . . . . . A 464 ILE HG13 . 31058 1 2015 . 1 . 1 262 262 ILE HG21 H 1 0.877 0.019 . . . . . . A 464 ILE HG21 . 31058 1 2016 . 1 . 1 262 262 ILE HG22 H 1 0.877 0.019 . . . . . . A 464 ILE HG22 . 31058 1 2017 . 1 . 1 262 262 ILE HG23 H 1 0.877 0.019 . . . . . . A 464 ILE HG23 . 31058 1 2018 . 1 . 1 262 262 ILE HD11 H 1 0.81 0.014 . . . . . . A 464 ILE HD11 . 31058 1 2019 . 1 . 1 262 262 ILE HD12 H 1 0.81 0.014 . . . . . . A 464 ILE HD12 . 31058 1 2020 . 1 . 1 262 262 ILE HD13 H 1 0.81 0.014 . . . . . . A 464 ILE HD13 . 31058 1 2021 . 1 . 1 262 262 ILE C C 13 177.09 0.01 . . . . . . A 464 ILE C . 31058 1 2022 . 1 . 1 262 262 ILE CA C 13 63.12 0.046 . . . . . . A 464 ILE CA . 31058 1 2023 . 1 . 1 262 262 ILE CB C 13 37.742 0.01 . . . . . . A 464 ILE CB . 31058 1 2024 . 1 . 1 262 262 ILE CG2 C 13 17.997 0.236 . . . . . . A 464 ILE CG2 . 31058 1 2025 . 1 . 1 262 262 ILE CD1 C 13 13.427 0.028 . . . . . . A 464 ILE CD1 . 31058 1 2026 . 1 . 1 262 262 ILE N N 15 120.431 0.063 . . . . . . A 464 ILE N . 31058 1 2027 . 1 . 1 263 263 LEU H H 1 8.373 0.016 . . . . . . A 465 LEU H . 31058 1 2028 . 1 . 1 263 263 LEU HA H 1 4.118 0.017 . . . . . . A 465 LEU HA . 31058 1 2029 . 1 . 1 263 263 LEU HB2 H 1 1.781 0.014 . . . . . . A 465 LEU HB2 . 31058 1 2030 . 1 . 1 263 263 LEU HD11 H 1 0.891 0.025 . . . . . . A 465 LEU HD11 . 31058 1 2031 . 1 . 1 263 263 LEU HD12 H 1 0.891 0.025 . . . . . . A 465 LEU HD12 . 31058 1 2032 . 1 . 1 263 263 LEU HD13 H 1 0.891 0.025 . . . . . . A 465 LEU HD13 . 31058 1 2033 . 1 . 1 263 263 LEU C C 13 178.269 0.01 . . . . . . A 465 LEU C . 31058 1 2034 . 1 . 1 263 263 LEU CA C 13 57.521 0.045 . . . . . . A 465 LEU CA . 31058 1 2035 . 1 . 1 263 263 LEU CB C 13 42.13 0.01 . . . . . . A 465 LEU CB . 31058 1 2036 . 1 . 1 263 263 LEU CD1 C 13 25.112 0.094 . . . . . . A 465 LEU CD1 . 31058 1 2037 . 1 . 1 263 263 LEU N N 15 122.601 0.142 . . . . . . A 465 LEU N . 31058 1 2038 . 1 . 1 264 264 MET H H 1 8.072 0.011 . . . . . . A 466 MET H . 31058 1 2039 . 1 . 1 264 264 MET HA H 1 4.117 0.012 . . . . . . A 466 MET HA . 31058 1 2040 . 1 . 1 264 264 MET HB2 H 1 2.049 0.017 . . . . . . A 466 MET HB2 . 31058 1 2041 . 1 . 1 264 264 MET HG2 H 1 2.547 0.013 . . . . . . A 466 MET HG2 . 31058 1 2042 . 1 . 1 264 264 MET HG3 H 1 2.416 0.01 . . . . . . A 466 MET HG3 . 31058 1 2043 . 1 . 1 264 264 MET HE1 H 1 1.972 0.017 . . . . . . A 466 MET HE1 . 31058 1 2044 . 1 . 1 264 264 MET HE2 H 1 1.972 0.017 . . . . . . A 466 MET HE2 . 31058 1 2045 . 1 . 1 264 264 MET HE3 H 1 1.972 0.017 . . . . . . A 466 MET HE3 . 31058 1 2046 . 1 . 1 264 264 MET C C 13 176.393 0.01 . . . . . . A 466 MET C . 31058 1 2047 . 1 . 1 264 264 MET CA C 13 57.183 0.112 . . . . . . A 466 MET CA . 31058 1 2048 . 1 . 1 264 264 MET CG C 13 33.041 0.285 . . . . . . A 466 MET CG . 31058 1 2049 . 1 . 1 264 264 MET CE C 13 17.395 0.01 . . . . . . A 466 MET CE . 31058 1 2050 . 1 . 1 264 264 MET N N 15 117.002 0.054 . . . . . . A 466 MET N . 31058 1 2051 . 1 . 1 265 265 SER H H 1 7.537 0.017 . . . . . . A 467 SER H . 31058 1 2052 . 1 . 1 265 265 SER HA H 1 4.407 0.011 . . . . . . A 467 SER HA . 31058 1 2053 . 1 . 1 265 265 SER HB2 H 1 3.855 0.018 . . . . . . A 467 SER HB2 . 31058 1 2054 . 1 . 1 265 265 SER C C 13 173.598 0.01 . . . . . . A 467 SER C . 31058 1 2055 . 1 . 1 265 265 SER CA C 13 59.453 0.065 . . . . . . A 467 SER CA . 31058 1 2056 . 1 . 1 265 265 SER CB C 13 63.992 0.01 . . . . . . A 467 SER CB . 31058 1 2057 . 1 . 1 265 265 SER N N 15 112.624 0.076 . . . . . . A 467 SER N . 31058 1 2058 . 1 . 1 266 266 ALA H H 1 7.813 0.016 . . . . . . A 468 ALA H . 31058 1 2059 . 1 . 1 266 266 ALA HA H 1 4.471 0.01 . . . . . . A 468 ALA HA . 31058 1 2060 . 1 . 1 266 266 ALA HB1 H 1 1.319 0.017 . . . . . . A 468 ALA HB1 . 31058 1 2061 . 1 . 1 266 266 ALA HB2 H 1 1.319 0.017 . . . . . . A 468 ALA HB2 . 31058 1 2062 . 1 . 1 266 266 ALA HB3 H 1 1.319 0.017 . . . . . . A 468 ALA HB3 . 31058 1 2063 . 1 . 1 266 266 ALA CA C 13 51.231 0.105 . . . . . . A 468 ALA CA . 31058 1 2064 . 1 . 1 266 266 ALA CB C 13 18.419 0.014 . . . . . . A 468 ALA CB . 31058 1 2065 . 1 . 1 266 266 ALA N N 15 124.622 0.066 . . . . . . A 468 ALA N . 31058 1 2066 . 1 . 1 267 267 PRO HA H 1 4.401 0.02 . . . . . . A 469 PRO HA . 31058 1 2067 . 1 . 1 267 267 PRO HB2 H 1 1.857 0.011 . . . . . . A 469 PRO HB2 . 31058 1 2068 . 1 . 1 267 267 PRO HD3 H 1 3.686 0.014 . . . . . . A 469 PRO HD3 . 31058 1 2069 . 1 . 1 267 267 PRO C C 13 176.53 0.01 . . . . . . A 469 PRO C . 31058 1 2070 . 1 . 1 267 267 PRO CA C 13 64.164 0.07 . . . . . . A 469 PRO CA . 31058 1 2071 . 1 . 1 267 267 PRO CB C 13 31.192 0.01 . . . . . . A 469 PRO CB . 31058 1 2072 . 1 . 1 267 267 PRO CD C 13 50.599 0.01 . . . . . . A 469 PRO CD . 31058 1 2073 . 1 . 1 268 268 ASN H H 1 8.166 0.018 . . . . . . A 470 ASN H . 31058 1 2074 . 1 . 1 268 268 ASN HA H 1 4.534 0.012 . . . . . . A 470 ASN HA . 31058 1 2075 . 1 . 1 268 268 ASN HB2 H 1 2.685 0.016 . . . . . . A 470 ASN HB2 . 31058 1 2076 . 1 . 1 268 268 ASN HB3 H 1 2.753 0.012 . . . . . . A 470 ASN HB3 . 31058 1 2077 . 1 . 1 268 268 ASN HD21 H 1 7.476 0.017 . . . . . . A 470 ASN HD21 . 31058 1 2078 . 1 . 1 268 268 ASN HD22 H 1 6.807 0.015 . . . . . . A 470 ASN HD22 . 31058 1 2079 . 1 . 1 268 268 ASN C C 13 175.456 0.01 . . . . . . A 470 ASN C . 31058 1 2080 . 1 . 1 268 268 ASN CA C 13 54.058 0.025 . . . . . . A 470 ASN CA . 31058 1 2081 . 1 . 1 268 268 ASN CB C 13 38.435 0.011 . . . . . . A 470 ASN CB . 31058 1 2082 . 1 . 1 268 268 ASN N N 15 114.617 0.047 . . . . . . A 470 ASN N . 31058 1 2083 . 1 . 1 268 268 ASN ND2 N 15 112.19 0.043 . . . . . . A 470 ASN ND2 . 31058 1 2084 . 1 . 1 269 269 PHE H H 1 7.962 0.017 . . . . . . A 471 PHE H . 31058 1 2085 . 1 . 1 269 269 PHE HA H 1 4.538 0.019 . . . . . . A 471 PHE HA . 31058 1 2086 . 1 . 1 269 269 PHE HB2 H 1 3.128 0.014 . . . . . . A 471 PHE HB2 . 31058 1 2087 . 1 . 1 269 269 PHE HD1 H 1 7.192 0.015 . . . . . . A 471 PHE HD1 . 31058 1 2088 . 1 . 1 269 269 PHE C C 13 175.08 0.01 . . . . . . A 471 PHE C . 31058 1 2089 . 1 . 1 269 269 PHE CA C 13 58.653 0.016 . . . . . . A 471 PHE CA . 31058 1 2090 . 1 . 1 269 269 PHE CB C 13 39.594 0.01 . . . . . . A 471 PHE CB . 31058 1 2091 . 1 . 1 269 269 PHE CD1 C 13 131.432 0.078 . . . . . . A 471 PHE CD1 . 31058 1 2092 . 1 . 1 269 269 PHE N N 15 118.535 0.091 . . . . . . A 471 PHE N . 31058 1 2093 . 1 . 1 270 270 VAL H H 1 7.522 0.016 . . . . . . A 472 VAL H . 31058 1 2094 . 1 . 1 270 270 VAL HA H 1 4.063 0.016 . . . . . . A 472 VAL HA . 31058 1 2095 . 1 . 1 270 270 VAL HB H 1 2.099 0.014 . . . . . . A 472 VAL HB . 31058 1 2096 . 1 . 1 270 270 VAL HG11 H 1 0.861 0.015 . . . . . . A 472 VAL HG11 . 31058 1 2097 . 1 . 1 270 270 VAL HG12 H 1 0.861 0.015 . . . . . . A 472 VAL HG12 . 31058 1 2098 . 1 . 1 270 270 VAL HG13 H 1 0.861 0.015 . . . . . . A 472 VAL HG13 . 31058 1 2099 . 1 . 1 270 270 VAL HG21 H 1 0.85 0.015 . . . . . . A 472 VAL HG21 . 31058 1 2100 . 1 . 1 270 270 VAL HG22 H 1 0.85 0.015 . . . . . . A 472 VAL HG22 . 31058 1 2101 . 1 . 1 270 270 VAL HG23 H 1 0.85 0.015 . . . . . . A 472 VAL HG23 . 31058 1 2102 . 1 . 1 270 270 VAL C C 13 174.837 0.01 . . . . . . A 472 VAL C . 31058 1 2103 . 1 . 1 270 270 VAL CA C 13 62.33 0.028 . . . . . . A 472 VAL CA . 31058 1 2104 . 1 . 1 270 270 VAL CB C 13 32.947 0.01 . . . . . . A 472 VAL CB . 31058 1 2105 . 1 . 1 270 270 VAL CG1 C 13 21.743 0.101 . . . . . . A 472 VAL CG1 . 31058 1 2106 . 1 . 1 270 270 VAL CG2 C 13 20.955 0.084 . . . . . . A 472 VAL CG2 . 31058 1 2107 . 1 . 1 270 270 VAL N N 15 114.707 0.054 . . . . . . A 472 VAL N . 31058 1 stop_ save_