data_50474 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50474 _Entry.Title ; Methyl assignments of Hsp90 FL AIM LV pro-R labeled bound to AMP-PNP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-09-21 _Entry.Accession_date 2020-09-21 _Entry.Last_release_date 2020-09-21 _Entry.Original_release_date 2020-09-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Assignments of methyl groups of yeast Hsp90 in complex with the ATP analog AMP-PNP, using AIM LV pro-R labeling' _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 Abraham Lopez . . . 0000-0003-1355-8006 50474 2 Michael Sattler . . . . 50474 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Group of Prof. Michael Sattler, Technical University Munich/Helmholtz Center Munich' . 50474 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50474 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 179 50474 '1H chemical shifts' 537 50474 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 . . 2021-04-13 2020-09-21 update BMRB 'update entry citation' 50474 1 . . 2020-12-16 2020-09-21 original author 'original release' 50474 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50472 'Methyl assignments of Hsp90 FL AIM LV pro-R labeled' 50474 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50474 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33547294 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The co-chaperone p23 coordinates client binding and progression of the Hsp90 chaperone cycle via flexible regions ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature Communications' _Citation.Journal_volume 12 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 828 _Citation.Page_last 828 _Citation.Year 2021 _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 Maximilian Biebl M. M. . . 50474 1 2 Abraham Lopez A. . . . 50474 1 3 Alexandra Rehn A. . . . 50474 1 4 Lee Freiburger L. . . . 50474 1 5 Jannis Lawatscheck J. . . . 50474 1 6 Birgit Blank B. . . . 50474 1 7 Michael Sattler M. . . . 50474 1 8 Johannes Buchner J. . . . 50474 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Chaperone, heat shock protein 90 (Hsp90), intrinsically disordered regions, chaperone mechanism' 50474 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50474 _Assembly.ID 1 _Assembly.Name 'Hsp90-AMPPNP complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 162000 _Assembly.Enzyme_commission_number . _Assembly.Details ; Complex of yeast Hsp90 bound to the non-hydrolyzable ATP analog AMP-PNP: Formula: C10H17N6O12P3; Formula weight: 506.20; Formal charge: 4-. ; _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 Hsp90 1 $entity_1 . . yes native yes no 1 . . 50474 1 2 AMP-PNP 2 $entity_ANP . . no native no no . . . 50474 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'Extremely slow exchange' 50474 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Molecular chaperoning' 50474 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50474 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MASETFEFQAEITQLMSLII NTVYSNKEIFLRELISNASD ALDKIRYKSLSDPKQLETEP DLFIRITPKPEQKVLEIRDS GIGMTKAELINNLGTIAKSG TKAFMEALSAGADVSMIGQF GVGFYSLFLVADRVQVISKS NDDEQYIWESNAGGSFTVTL DEVNERIGRGTILRLFLKDD QLEYLEEKRIKEVIKRHSEF VAYPIQLVVTKEVEKEVPIP EEEKKDEEKKDEEKKDEDDK KPKLEEVDEEEEKKPKTKKV KEEVQEIEELNKTKPLWTRN PSDITQEEYNAFYKSISNDW EDPLYVKHFSVEGQLEFRAI LFIPKRAPFDLFESKKKKNN IKLYVRRVFITDEAEDLIPE WLSFVKGVVDSEDLPLNLSR EMLQQNKIMKVIRKNIVKKL IEAFNEIAEDSEQFEKFYSA FSKNIKLGVHEDTQNRAALA KLLRYNSTKSVDELTSLTDY VTRMPEHQKNIYYITGESLK AVEKSPFLDALKAKNFEVLF LTDPIDEYAFTQLKEFEGKT LVDITKDFELEETDEEKAER EKEIKEYEPLTKALKEILGD QVEKVVVSYKLLDAPAAIRT GQFGWSANMERIMKAQALRD SSMSSYMSSKKTFEISPKSP IIKELKKRVDEGGAQDKTVK DLTKLLYETALLTSGFSLDE PTSFASRINRLISLGLNIDE DEETETAPEASTAAPVEEVP ADTEMEEVD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 709 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes PDB 2cg9 . Hsp90 . . . . . . . . . . . . . . 50474 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Molecular chaperone' 50474 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 50474 1 2 . ALA . 50474 1 3 . SER . 50474 1 4 . GLU . 50474 1 5 . THR . 50474 1 6 . PHE . 50474 1 7 . GLU . 50474 1 8 . PHE . 50474 1 9 . GLN . 50474 1 10 . ALA . 50474 1 11 . GLU . 50474 1 12 . ILE . 50474 1 13 . THR . 50474 1 14 . GLN . 50474 1 15 . LEU . 50474 1 16 . MET . 50474 1 17 . SER . 50474 1 18 . LEU . 50474 1 19 . ILE . 50474 1 20 . ILE . 50474 1 21 . ASN . 50474 1 22 . THR . 50474 1 23 . VAL . 50474 1 24 . TYR . 50474 1 25 . SER . 50474 1 26 . ASN . 50474 1 27 . LYS . 50474 1 28 . GLU . 50474 1 29 . ILE . 50474 1 30 . PHE . 50474 1 31 . LEU . 50474 1 32 . ARG . 50474 1 33 . GLU . 50474 1 34 . LEU . 50474 1 35 . ILE . 50474 1 36 . SER . 50474 1 37 . ASN . 50474 1 38 . ALA . 50474 1 39 . SER . 50474 1 40 . ASP . 50474 1 41 . ALA . 50474 1 42 . LEU . 50474 1 43 . ASP . 50474 1 44 . LYS . 50474 1 45 . ILE . 50474 1 46 . ARG . 50474 1 47 . TYR . 50474 1 48 . LYS . 50474 1 49 . SER . 50474 1 50 . LEU . 50474 1 51 . SER . 50474 1 52 . ASP . 50474 1 53 . PRO . 50474 1 54 . LYS . 50474 1 55 . GLN . 50474 1 56 . LEU . 50474 1 57 . GLU . 50474 1 58 . THR . 50474 1 59 . GLU . 50474 1 60 . PRO . 50474 1 61 . ASP . 50474 1 62 . LEU . 50474 1 63 . PHE . 50474 1 64 . ILE . 50474 1 65 . ARG . 50474 1 66 . ILE . 50474 1 67 . THR . 50474 1 68 . PRO . 50474 1 69 . LYS . 50474 1 70 . PRO . 50474 1 71 . GLU . 50474 1 72 . GLN . 50474 1 73 . LYS . 50474 1 74 . VAL . 50474 1 75 . LEU . 50474 1 76 . GLU . 50474 1 77 . ILE . 50474 1 78 . ARG . 50474 1 79 . ASP . 50474 1 80 . SER . 50474 1 81 . GLY . 50474 1 82 . ILE . 50474 1 83 . GLY . 50474 1 84 . MET . 50474 1 85 . THR . 50474 1 86 . LYS . 50474 1 87 . ALA . 50474 1 88 . GLU . 50474 1 89 . LEU . 50474 1 90 . ILE . 50474 1 91 . ASN . 50474 1 92 . ASN . 50474 1 93 . LEU . 50474 1 94 . GLY . 50474 1 95 . THR . 50474 1 96 . ILE . 50474 1 97 . ALA . 50474 1 98 . LYS . 50474 1 99 . SER . 50474 1 100 . GLY . 50474 1 101 . THR . 50474 1 102 . LYS . 50474 1 103 . ALA . 50474 1 104 . PHE . 50474 1 105 . MET . 50474 1 106 . GLU . 50474 1 107 . ALA . 50474 1 108 . LEU . 50474 1 109 . SER . 50474 1 110 . ALA . 50474 1 111 . GLY . 50474 1 112 . ALA . 50474 1 113 . ASP . 50474 1 114 . VAL . 50474 1 115 . SER . 50474 1 116 . MET . 50474 1 117 . ILE . 50474 1 118 . GLY . 50474 1 119 . GLN . 50474 1 120 . PHE . 50474 1 121 . GLY . 50474 1 122 . VAL . 50474 1 123 . GLY . 50474 1 124 . PHE . 50474 1 125 . TYR . 50474 1 126 . SER . 50474 1 127 . LEU . 50474 1 128 . PHE . 50474 1 129 . LEU . 50474 1 130 . VAL . 50474 1 131 . ALA . 50474 1 132 . ASP . 50474 1 133 . ARG . 50474 1 134 . VAL . 50474 1 135 . GLN . 50474 1 136 . VAL . 50474 1 137 . ILE . 50474 1 138 . SER . 50474 1 139 . LYS . 50474 1 140 . SER . 50474 1 141 . ASN . 50474 1 142 . ASP . 50474 1 143 . ASP . 50474 1 144 . GLU . 50474 1 145 . GLN . 50474 1 146 . TYR . 50474 1 147 . ILE . 50474 1 148 . TRP . 50474 1 149 . GLU . 50474 1 150 . SER . 50474 1 151 . ASN . 50474 1 152 . ALA . 50474 1 153 . GLY . 50474 1 154 . GLY . 50474 1 155 . SER . 50474 1 156 . PHE . 50474 1 157 . THR . 50474 1 158 . VAL . 50474 1 159 . THR . 50474 1 160 . LEU . 50474 1 161 . ASP . 50474 1 162 . GLU . 50474 1 163 . VAL . 50474 1 164 . ASN . 50474 1 165 . GLU . 50474 1 166 . ARG . 50474 1 167 . ILE . 50474 1 168 . GLY . 50474 1 169 . ARG . 50474 1 170 . GLY . 50474 1 171 . THR . 50474 1 172 . ILE . 50474 1 173 . LEU . 50474 1 174 . ARG . 50474 1 175 . LEU . 50474 1 176 . PHE . 50474 1 177 . LEU . 50474 1 178 . LYS . 50474 1 179 . ASP . 50474 1 180 . ASP . 50474 1 181 . GLN . 50474 1 182 . LEU . 50474 1 183 . GLU . 50474 1 184 . TYR . 50474 1 185 . LEU . 50474 1 186 . GLU . 50474 1 187 . GLU . 50474 1 188 . LYS . 50474 1 189 . ARG . 50474 1 190 . ILE . 50474 1 191 . LYS . 50474 1 192 . GLU . 50474 1 193 . VAL . 50474 1 194 . ILE . 50474 1 195 . LYS . 50474 1 196 . ARG . 50474 1 197 . HIS . 50474 1 198 . SER . 50474 1 199 . GLU . 50474 1 200 . PHE . 50474 1 201 . VAL . 50474 1 202 . ALA . 50474 1 203 . TYR . 50474 1 204 . PRO . 50474 1 205 . ILE . 50474 1 206 . GLN . 50474 1 207 . LEU . 50474 1 208 . VAL . 50474 1 209 . VAL . 50474 1 210 . THR . 50474 1 211 . LYS . 50474 1 212 . GLU . 50474 1 213 . VAL . 50474 1 214 . GLU . 50474 1 215 . LYS . 50474 1 216 . GLU . 50474 1 217 . VAL . 50474 1 218 . PRO . 50474 1 219 . ILE . 50474 1 220 . PRO . 50474 1 221 . GLU . 50474 1 222 . GLU . 50474 1 223 . GLU . 50474 1 224 . LYS . 50474 1 225 . LYS . 50474 1 226 . ASP . 50474 1 227 . GLU . 50474 1 228 . GLU . 50474 1 229 . LYS . 50474 1 230 . LYS . 50474 1 231 . ASP . 50474 1 232 . GLU . 50474 1 233 . GLU . 50474 1 234 . LYS . 50474 1 235 . LYS . 50474 1 236 . ASP . 50474 1 237 . GLU . 50474 1 238 . ASP . 50474 1 239 . ASP . 50474 1 240 . LYS . 50474 1 241 . LYS . 50474 1 242 . PRO . 50474 1 243 . LYS . 50474 1 244 . LEU . 50474 1 245 . GLU . 50474 1 246 . GLU . 50474 1 247 . VAL . 50474 1 248 . ASP . 50474 1 249 . GLU . 50474 1 250 . GLU . 50474 1 251 . GLU . 50474 1 252 . GLU . 50474 1 253 . LYS . 50474 1 254 . LYS . 50474 1 255 . PRO . 50474 1 256 . LYS . 50474 1 257 . THR . 50474 1 258 . LYS . 50474 1 259 . LYS . 50474 1 260 . VAL . 50474 1 261 . LYS . 50474 1 262 . GLU . 50474 1 263 . GLU . 50474 1 264 . VAL . 50474 1 265 . GLN . 50474 1 266 . GLU . 50474 1 267 . ILE . 50474 1 268 . GLU . 50474 1 269 . GLU . 50474 1 270 . LEU . 50474 1 271 . ASN . 50474 1 272 . LYS . 50474 1 273 . THR . 50474 1 274 . LYS . 50474 1 275 . PRO . 50474 1 276 . LEU . 50474 1 277 . TRP . 50474 1 278 . THR . 50474 1 279 . ARG . 50474 1 280 . ASN . 50474 1 281 . PRO . 50474 1 282 . SER . 50474 1 283 . ASP . 50474 1 284 . ILE . 50474 1 285 . THR . 50474 1 286 . GLN . 50474 1 287 . GLU . 50474 1 288 . GLU . 50474 1 289 . TYR . 50474 1 290 . ASN . 50474 1 291 . ALA . 50474 1 292 . PHE . 50474 1 293 . TYR . 50474 1 294 . LYS . 50474 1 295 . SER . 50474 1 296 . ILE . 50474 1 297 . SER . 50474 1 298 . ASN . 50474 1 299 . ASP . 50474 1 300 . TRP . 50474 1 301 . GLU . 50474 1 302 . ASP . 50474 1 303 . PRO . 50474 1 304 . LEU . 50474 1 305 . TYR . 50474 1 306 . VAL . 50474 1 307 . LYS . 50474 1 308 . HIS . 50474 1 309 . PHE . 50474 1 310 . SER . 50474 1 311 . VAL . 50474 1 312 . GLU . 50474 1 313 . GLY . 50474 1 314 . GLN . 50474 1 315 . LEU . 50474 1 316 . GLU . 50474 1 317 . PHE . 50474 1 318 . ARG . 50474 1 319 . ALA . 50474 1 320 . ILE . 50474 1 321 . LEU . 50474 1 322 . PHE . 50474 1 323 . ILE . 50474 1 324 . PRO . 50474 1 325 . LYS . 50474 1 326 . ARG . 50474 1 327 . ALA . 50474 1 328 . PRO . 50474 1 329 . PHE . 50474 1 330 . ASP . 50474 1 331 . LEU . 50474 1 332 . PHE . 50474 1 333 . GLU . 50474 1 334 . SER . 50474 1 335 . LYS . 50474 1 336 . LYS . 50474 1 337 . LYS . 50474 1 338 . LYS . 50474 1 339 . ASN . 50474 1 340 . ASN . 50474 1 341 . ILE . 50474 1 342 . LYS . 50474 1 343 . LEU . 50474 1 344 . TYR . 50474 1 345 . VAL . 50474 1 346 . ARG . 50474 1 347 . ARG . 50474 1 348 . VAL . 50474 1 349 . PHE . 50474 1 350 . ILE . 50474 1 351 . THR . 50474 1 352 . ASP . 50474 1 353 . GLU . 50474 1 354 . ALA . 50474 1 355 . GLU . 50474 1 356 . ASP . 50474 1 357 . LEU . 50474 1 358 . ILE . 50474 1 359 . PRO . 50474 1 360 . GLU . 50474 1 361 . TRP . 50474 1 362 . LEU . 50474 1 363 . SER . 50474 1 364 . PHE . 50474 1 365 . VAL . 50474 1 366 . LYS . 50474 1 367 . GLY . 50474 1 368 . VAL . 50474 1 369 . VAL . 50474 1 370 . ASP . 50474 1 371 . SER . 50474 1 372 . GLU . 50474 1 373 . ASP . 50474 1 374 . LEU . 50474 1 375 . PRO . 50474 1 376 . LEU . 50474 1 377 . ASN . 50474 1 378 . LEU . 50474 1 379 . SER . 50474 1 380 . ARG . 50474 1 381 . GLU . 50474 1 382 . MET . 50474 1 383 . LEU . 50474 1 384 . GLN . 50474 1 385 . GLN . 50474 1 386 . ASN . 50474 1 387 . LYS . 50474 1 388 . ILE . 50474 1 389 . MET . 50474 1 390 . LYS . 50474 1 391 . VAL . 50474 1 392 . ILE . 50474 1 393 . ARG . 50474 1 394 . LYS . 50474 1 395 . ASN . 50474 1 396 . ILE . 50474 1 397 . VAL . 50474 1 398 . LYS . 50474 1 399 . LYS . 50474 1 400 . LEU . 50474 1 401 . ILE . 50474 1 402 . GLU . 50474 1 403 . ALA . 50474 1 404 . PHE . 50474 1 405 . ASN . 50474 1 406 . GLU . 50474 1 407 . ILE . 50474 1 408 . ALA . 50474 1 409 . GLU . 50474 1 410 . ASP . 50474 1 411 . SER . 50474 1 412 . GLU . 50474 1 413 . GLN . 50474 1 414 . PHE . 50474 1 415 . GLU . 50474 1 416 . LYS . 50474 1 417 . PHE . 50474 1 418 . TYR . 50474 1 419 . SER . 50474 1 420 . ALA . 50474 1 421 . PHE . 50474 1 422 . SER . 50474 1 423 . LYS . 50474 1 424 . ASN . 50474 1 425 . ILE . 50474 1 426 . LYS . 50474 1 427 . LEU . 50474 1 428 . GLY . 50474 1 429 . VAL . 50474 1 430 . HIS . 50474 1 431 . GLU . 50474 1 432 . ASP . 50474 1 433 . THR . 50474 1 434 . GLN . 50474 1 435 . ASN . 50474 1 436 . ARG . 50474 1 437 . ALA . 50474 1 438 . ALA . 50474 1 439 . LEU . 50474 1 440 . ALA . 50474 1 441 . LYS . 50474 1 442 . LEU . 50474 1 443 . LEU . 50474 1 444 . ARG . 50474 1 445 . TYR . 50474 1 446 . ASN . 50474 1 447 . SER . 50474 1 448 . THR . 50474 1 449 . LYS . 50474 1 450 . SER . 50474 1 451 . VAL . 50474 1 452 . ASP . 50474 1 453 . GLU . 50474 1 454 . LEU . 50474 1 455 . THR . 50474 1 456 . SER . 50474 1 457 . LEU . 50474 1 458 . THR . 50474 1 459 . ASP . 50474 1 460 . TYR . 50474 1 461 . VAL . 50474 1 462 . THR . 50474 1 463 . ARG . 50474 1 464 . MET . 50474 1 465 . PRO . 50474 1 466 . GLU . 50474 1 467 . HIS . 50474 1 468 . GLN . 50474 1 469 . LYS . 50474 1 470 . ASN . 50474 1 471 . ILE . 50474 1 472 . TYR . 50474 1 473 . TYR . 50474 1 474 . ILE . 50474 1 475 . THR . 50474 1 476 . GLY . 50474 1 477 . GLU . 50474 1 478 . SER . 50474 1 479 . LEU . 50474 1 480 . LYS . 50474 1 481 . ALA . 50474 1 482 . VAL . 50474 1 483 . GLU . 50474 1 484 . LYS . 50474 1 485 . SER . 50474 1 486 . PRO . 50474 1 487 . PHE . 50474 1 488 . LEU . 50474 1 489 . ASP . 50474 1 490 . ALA . 50474 1 491 . LEU . 50474 1 492 . LYS . 50474 1 493 . ALA . 50474 1 494 . LYS . 50474 1 495 . ASN . 50474 1 496 . PHE . 50474 1 497 . GLU . 50474 1 498 . VAL . 50474 1 499 . LEU . 50474 1 500 . PHE . 50474 1 501 . LEU . 50474 1 502 . THR . 50474 1 503 . ASP . 50474 1 504 . PRO . 50474 1 505 . ILE . 50474 1 506 . ASP . 50474 1 507 . GLU . 50474 1 508 . TYR . 50474 1 509 . ALA . 50474 1 510 . PHE . 50474 1 511 . THR . 50474 1 512 . GLN . 50474 1 513 . LEU . 50474 1 514 . LYS . 50474 1 515 . GLU . 50474 1 516 . PHE . 50474 1 517 . GLU . 50474 1 518 . GLY . 50474 1 519 . LYS . 50474 1 520 . THR . 50474 1 521 . LEU . 50474 1 522 . VAL . 50474 1 523 . ASP . 50474 1 524 . ILE . 50474 1 525 . THR . 50474 1 526 . LYS . 50474 1 527 . ASP . 50474 1 528 . PHE . 50474 1 529 . GLU . 50474 1 530 . LEU . 50474 1 531 . GLU . 50474 1 532 . GLU . 50474 1 533 . THR . 50474 1 534 . ASP . 50474 1 535 . GLU . 50474 1 536 . GLU . 50474 1 537 . LYS . 50474 1 538 . ALA . 50474 1 539 . GLU . 50474 1 540 . ARG . 50474 1 541 . GLU . 50474 1 542 . LYS . 50474 1 543 . GLU . 50474 1 544 . ILE . 50474 1 545 . LYS . 50474 1 546 . GLU . 50474 1 547 . TYR . 50474 1 548 . GLU . 50474 1 549 . PRO . 50474 1 550 . LEU . 50474 1 551 . THR . 50474 1 552 . LYS . 50474 1 553 . ALA . 50474 1 554 . LEU . 50474 1 555 . LYS . 50474 1 556 . GLU . 50474 1 557 . ILE . 50474 1 558 . LEU . 50474 1 559 . GLY . 50474 1 560 . ASP . 50474 1 561 . GLN . 50474 1 562 . VAL . 50474 1 563 . GLU . 50474 1 564 . LYS . 50474 1 565 . VAL . 50474 1 566 . VAL . 50474 1 567 . VAL . 50474 1 568 . SER . 50474 1 569 . TYR . 50474 1 570 . LYS . 50474 1 571 . LEU . 50474 1 572 . LEU . 50474 1 573 . ASP . 50474 1 574 . ALA . 50474 1 575 . PRO . 50474 1 576 . ALA . 50474 1 577 . ALA . 50474 1 578 . ILE . 50474 1 579 . ARG . 50474 1 580 . THR . 50474 1 581 . GLY . 50474 1 582 . GLN . 50474 1 583 . PHE . 50474 1 584 . GLY . 50474 1 585 . TRP . 50474 1 586 . SER . 50474 1 587 . ALA . 50474 1 588 . ASN . 50474 1 589 . MET . 50474 1 590 . GLU . 50474 1 591 . ARG . 50474 1 592 . ILE . 50474 1 593 . MET . 50474 1 594 . LYS . 50474 1 595 . ALA . 50474 1 596 . GLN . 50474 1 597 . ALA . 50474 1 598 . LEU . 50474 1 599 . ARG . 50474 1 600 . ASP . 50474 1 601 . SER . 50474 1 602 . SER . 50474 1 603 . MET . 50474 1 604 . SER . 50474 1 605 . SER . 50474 1 606 . TYR . 50474 1 607 . MET . 50474 1 608 . SER . 50474 1 609 . SER . 50474 1 610 . LYS . 50474 1 611 . LYS . 50474 1 612 . THR . 50474 1 613 . PHE . 50474 1 614 . GLU . 50474 1 615 . ILE . 50474 1 616 . SER . 50474 1 617 . PRO . 50474 1 618 . LYS . 50474 1 619 . SER . 50474 1 620 . PRO . 50474 1 621 . ILE . 50474 1 622 . ILE . 50474 1 623 . LYS . 50474 1 624 . GLU . 50474 1 625 . LEU . 50474 1 626 . LYS . 50474 1 627 . LYS . 50474 1 628 . ARG . 50474 1 629 . VAL . 50474 1 630 . ASP . 50474 1 631 . GLU . 50474 1 632 . GLY . 50474 1 633 . GLY . 50474 1 634 . ALA . 50474 1 635 . GLN . 50474 1 636 . ASP . 50474 1 637 . LYS . 50474 1 638 . THR . 50474 1 639 . VAL . 50474 1 640 . LYS . 50474 1 641 . ASP . 50474 1 642 . LEU . 50474 1 643 . THR . 50474 1 644 . LYS . 50474 1 645 . LEU . 50474 1 646 . LEU . 50474 1 647 . TYR . 50474 1 648 . GLU . 50474 1 649 . THR . 50474 1 650 . ALA . 50474 1 651 . LEU . 50474 1 652 . LEU . 50474 1 653 . THR . 50474 1 654 . SER . 50474 1 655 . GLY . 50474 1 656 . PHE . 50474 1 657 . SER . 50474 1 658 . LEU . 50474 1 659 . ASP . 50474 1 660 . GLU . 50474 1 661 . PRO . 50474 1 662 . THR . 50474 1 663 . SER . 50474 1 664 . PHE . 50474 1 665 . ALA . 50474 1 666 . SER . 50474 1 667 . ARG . 50474 1 668 . ILE . 50474 1 669 . ASN . 50474 1 670 . ARG . 50474 1 671 . LEU . 50474 1 672 . ILE . 50474 1 673 . SER . 50474 1 674 . LEU . 50474 1 675 . GLY . 50474 1 676 . LEU . 50474 1 677 . ASN . 50474 1 678 . ILE . 50474 1 679 . ASP . 50474 1 680 . GLU . 50474 1 681 . ASP . 50474 1 682 . GLU . 50474 1 683 . GLU . 50474 1 684 . THR . 50474 1 685 . GLU . 50474 1 686 . THR . 50474 1 687 . ALA . 50474 1 688 . PRO . 50474 1 689 . GLU . 50474 1 690 . ALA . 50474 1 691 . SER . 50474 1 692 . THR . 50474 1 693 . ALA . 50474 1 694 . ALA . 50474 1 695 . PRO . 50474 1 696 . VAL . 50474 1 697 . GLU . 50474 1 698 . GLU . 50474 1 699 . VAL . 50474 1 700 . PRO . 50474 1 701 . ALA . 50474 1 702 . ASP . 50474 1 703 . THR . 50474 1 704 . GLU . 50474 1 705 . MET . 50474 1 706 . GLU . 50474 1 707 . GLU . 50474 1 708 . VAL . 50474 1 709 . ASP . 50474 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 . MET 1 1 50474 1 . ALA 2 2 50474 1 . SER 3 3 50474 1 . GLU 4 4 50474 1 . THR 5 5 50474 1 . PHE 6 6 50474 1 . GLU 7 7 50474 1 . PHE 8 8 50474 1 . GLN 9 9 50474 1 . ALA 10 10 50474 1 . GLU 11 11 50474 1 . ILE 12 12 50474 1 . THR 13 13 50474 1 . GLN 14 14 50474 1 . LEU 15 15 50474 1 . MET 16 16 50474 1 . SER 17 17 50474 1 . LEU 18 18 50474 1 . ILE 19 19 50474 1 . ILE 20 20 50474 1 . ASN 21 21 50474 1 . THR 22 22 50474 1 . VAL 23 23 50474 1 . TYR 24 24 50474 1 . SER 25 25 50474 1 . ASN 26 26 50474 1 . LYS 27 27 50474 1 . GLU 28 28 50474 1 . ILE 29 29 50474 1 . PHE 30 30 50474 1 . LEU 31 31 50474 1 . ARG 32 32 50474 1 . GLU 33 33 50474 1 . LEU 34 34 50474 1 . ILE 35 35 50474 1 . SER 36 36 50474 1 . ASN 37 37 50474 1 . ALA 38 38 50474 1 . SER 39 39 50474 1 . ASP 40 40 50474 1 . ALA 41 41 50474 1 . LEU 42 42 50474 1 . ASP 43 43 50474 1 . LYS 44 44 50474 1 . ILE 45 45 50474 1 . ARG 46 46 50474 1 . TYR 47 47 50474 1 . LYS 48 48 50474 1 . SER 49 49 50474 1 . LEU 50 50 50474 1 . SER 51 51 50474 1 . ASP 52 52 50474 1 . PRO 53 53 50474 1 . LYS 54 54 50474 1 . GLN 55 55 50474 1 . LEU 56 56 50474 1 . GLU 57 57 50474 1 . THR 58 58 50474 1 . GLU 59 59 50474 1 . PRO 60 60 50474 1 . ASP 61 61 50474 1 . LEU 62 62 50474 1 . PHE 63 63 50474 1 . ILE 64 64 50474 1 . ARG 65 65 50474 1 . ILE 66 66 50474 1 . THR 67 67 50474 1 . PRO 68 68 50474 1 . LYS 69 69 50474 1 . PRO 70 70 50474 1 . GLU 71 71 50474 1 . GLN 72 72 50474 1 . LYS 73 73 50474 1 . VAL 74 74 50474 1 . LEU 75 75 50474 1 . GLU 76 76 50474 1 . ILE 77 77 50474 1 . ARG 78 78 50474 1 . ASP 79 79 50474 1 . SER 80 80 50474 1 . GLY 81 81 50474 1 . ILE 82 82 50474 1 . GLY 83 83 50474 1 . MET 84 84 50474 1 . THR 85 85 50474 1 . LYS 86 86 50474 1 . ALA 87 87 50474 1 . GLU 88 88 50474 1 . LEU 89 89 50474 1 . ILE 90 90 50474 1 . ASN 91 91 50474 1 . ASN 92 92 50474 1 . LEU 93 93 50474 1 . GLY 94 94 50474 1 . THR 95 95 50474 1 . ILE 96 96 50474 1 . ALA 97 97 50474 1 . LYS 98 98 50474 1 . SER 99 99 50474 1 . GLY 100 100 50474 1 . THR 101 101 50474 1 . LYS 102 102 50474 1 . ALA 103 103 50474 1 . PHE 104 104 50474 1 . MET 105 105 50474 1 . GLU 106 106 50474 1 . ALA 107 107 50474 1 . LEU 108 108 50474 1 . SER 109 109 50474 1 . ALA 110 110 50474 1 . GLY 111 111 50474 1 . ALA 112 112 50474 1 . ASP 113 113 50474 1 . VAL 114 114 50474 1 . SER 115 115 50474 1 . MET 116 116 50474 1 . ILE 117 117 50474 1 . GLY 118 118 50474 1 . GLN 119 119 50474 1 . PHE 120 120 50474 1 . GLY 121 121 50474 1 . VAL 122 122 50474 1 . GLY 123 123 50474 1 . PHE 124 124 50474 1 . TYR 125 125 50474 1 . SER 126 126 50474 1 . LEU 127 127 50474 1 . PHE 128 128 50474 1 . LEU 129 129 50474 1 . VAL 130 130 50474 1 . ALA 131 131 50474 1 . ASP 132 132 50474 1 . ARG 133 133 50474 1 . VAL 134 134 50474 1 . GLN 135 135 50474 1 . VAL 136 136 50474 1 . ILE 137 137 50474 1 . SER 138 138 50474 1 . LYS 139 139 50474 1 . SER 140 140 50474 1 . ASN 141 141 50474 1 . ASP 142 142 50474 1 . ASP 143 143 50474 1 . GLU 144 144 50474 1 . GLN 145 145 50474 1 . TYR 146 146 50474 1 . ILE 147 147 50474 1 . TRP 148 148 50474 1 . GLU 149 149 50474 1 . SER 150 150 50474 1 . ASN 151 151 50474 1 . ALA 152 152 50474 1 . GLY 153 153 50474 1 . GLY 154 154 50474 1 . SER 155 155 50474 1 . PHE 156 156 50474 1 . THR 157 157 50474 1 . VAL 158 158 50474 1 . THR 159 159 50474 1 . LEU 160 160 50474 1 . ASP 161 161 50474 1 . GLU 162 162 50474 1 . VAL 163 163 50474 1 . ASN 164 164 50474 1 . GLU 165 165 50474 1 . ARG 166 166 50474 1 . ILE 167 167 50474 1 . GLY 168 168 50474 1 . ARG 169 169 50474 1 . GLY 170 170 50474 1 . THR 171 171 50474 1 . ILE 172 172 50474 1 . LEU 173 173 50474 1 . ARG 174 174 50474 1 . LEU 175 175 50474 1 . PHE 176 176 50474 1 . LEU 177 177 50474 1 . LYS 178 178 50474 1 . ASP 179 179 50474 1 . ASP 180 180 50474 1 . GLN 181 181 50474 1 . LEU 182 182 50474 1 . GLU 183 183 50474 1 . TYR 184 184 50474 1 . LEU 185 185 50474 1 . GLU 186 186 50474 1 . GLU 187 187 50474 1 . LYS 188 188 50474 1 . ARG 189 189 50474 1 . ILE 190 190 50474 1 . LYS 191 191 50474 1 . GLU 192 192 50474 1 . VAL 193 193 50474 1 . ILE 194 194 50474 1 . LYS 195 195 50474 1 . ARG 196 196 50474 1 . HIS 197 197 50474 1 . SER 198 198 50474 1 . GLU 199 199 50474 1 . PHE 200 200 50474 1 . VAL 201 201 50474 1 . ALA 202 202 50474 1 . TYR 203 203 50474 1 . PRO 204 204 50474 1 . ILE 205 205 50474 1 . GLN 206 206 50474 1 . LEU 207 207 50474 1 . VAL 208 208 50474 1 . VAL 209 209 50474 1 . THR 210 210 50474 1 . LYS 211 211 50474 1 . GLU 212 212 50474 1 . VAL 213 213 50474 1 . GLU 214 214 50474 1 . LYS 215 215 50474 1 . GLU 216 216 50474 1 . VAL 217 217 50474 1 . PRO 218 218 50474 1 . ILE 219 219 50474 1 . PRO 220 220 50474 1 . GLU 221 221 50474 1 . GLU 222 222 50474 1 . GLU 223 223 50474 1 . LYS 224 224 50474 1 . LYS 225 225 50474 1 . ASP 226 226 50474 1 . GLU 227 227 50474 1 . GLU 228 228 50474 1 . LYS 229 229 50474 1 . LYS 230 230 50474 1 . ASP 231 231 50474 1 . GLU 232 232 50474 1 . GLU 233 233 50474 1 . LYS 234 234 50474 1 . LYS 235 235 50474 1 . ASP 236 236 50474 1 . GLU 237 237 50474 1 . ASP 238 238 50474 1 . ASP 239 239 50474 1 . LYS 240 240 50474 1 . LYS 241 241 50474 1 . PRO 242 242 50474 1 . LYS 243 243 50474 1 . LEU 244 244 50474 1 . GLU 245 245 50474 1 . GLU 246 246 50474 1 . VAL 247 247 50474 1 . ASP 248 248 50474 1 . GLU 249 249 50474 1 . GLU 250 250 50474 1 . GLU 251 251 50474 1 . GLU 252 252 50474 1 . LYS 253 253 50474 1 . LYS 254 254 50474 1 . PRO 255 255 50474 1 . LYS 256 256 50474 1 . THR 257 257 50474 1 . LYS 258 258 50474 1 . LYS 259 259 50474 1 . VAL 260 260 50474 1 . LYS 261 261 50474 1 . GLU 262 262 50474 1 . GLU 263 263 50474 1 . VAL 264 264 50474 1 . GLN 265 265 50474 1 . GLU 266 266 50474 1 . ILE 267 267 50474 1 . GLU 268 268 50474 1 . GLU 269 269 50474 1 . LEU 270 270 50474 1 . ASN 271 271 50474 1 . LYS 272 272 50474 1 . THR 273 273 50474 1 . LYS 274 274 50474 1 . PRO 275 275 50474 1 . LEU 276 276 50474 1 . TRP 277 277 50474 1 . THR 278 278 50474 1 . ARG 279 279 50474 1 . ASN 280 280 50474 1 . PRO 281 281 50474 1 . SER 282 282 50474 1 . ASP 283 283 50474 1 . ILE 284 284 50474 1 . THR 285 285 50474 1 . GLN 286 286 50474 1 . GLU 287 287 50474 1 . GLU 288 288 50474 1 . TYR 289 289 50474 1 . ASN 290 290 50474 1 . ALA 291 291 50474 1 . PHE 292 292 50474 1 . TYR 293 293 50474 1 . LYS 294 294 50474 1 . SER 295 295 50474 1 . ILE 296 296 50474 1 . SER 297 297 50474 1 . ASN 298 298 50474 1 . ASP 299 299 50474 1 . TRP 300 300 50474 1 . GLU 301 301 50474 1 . ASP 302 302 50474 1 . PRO 303 303 50474 1 . LEU 304 304 50474 1 . TYR 305 305 50474 1 . VAL 306 306 50474 1 . LYS 307 307 50474 1 . HIS 308 308 50474 1 . PHE 309 309 50474 1 . SER 310 310 50474 1 . VAL 311 311 50474 1 . GLU 312 312 50474 1 . GLY 313 313 50474 1 . GLN 314 314 50474 1 . LEU 315 315 50474 1 . GLU 316 316 50474 1 . PHE 317 317 50474 1 . ARG 318 318 50474 1 . ALA 319 319 50474 1 . ILE 320 320 50474 1 . LEU 321 321 50474 1 . PHE 322 322 50474 1 . ILE 323 323 50474 1 . PRO 324 324 50474 1 . LYS 325 325 50474 1 . ARG 326 326 50474 1 . ALA 327 327 50474 1 . PRO 328 328 50474 1 . PHE 329 329 50474 1 . ASP 330 330 50474 1 . LEU 331 331 50474 1 . PHE 332 332 50474 1 . GLU 333 333 50474 1 . SER 334 334 50474 1 . LYS 335 335 50474 1 . LYS 336 336 50474 1 . LYS 337 337 50474 1 . LYS 338 338 50474 1 . ASN 339 339 50474 1 . ASN 340 340 50474 1 . ILE 341 341 50474 1 . LYS 342 342 50474 1 . LEU 343 343 50474 1 . TYR 344 344 50474 1 . VAL 345 345 50474 1 . ARG 346 346 50474 1 . ARG 347 347 50474 1 . VAL 348 348 50474 1 . PHE 349 349 50474 1 . ILE 350 350 50474 1 . THR 351 351 50474 1 . ASP 352 352 50474 1 . GLU 353 353 50474 1 . ALA 354 354 50474 1 . GLU 355 355 50474 1 . ASP 356 356 50474 1 . LEU 357 357 50474 1 . ILE 358 358 50474 1 . PRO 359 359 50474 1 . GLU 360 360 50474 1 . TRP 361 361 50474 1 . LEU 362 362 50474 1 . SER 363 363 50474 1 . PHE 364 364 50474 1 . VAL 365 365 50474 1 . LYS 366 366 50474 1 . GLY 367 367 50474 1 . VAL 368 368 50474 1 . VAL 369 369 50474 1 . ASP 370 370 50474 1 . SER 371 371 50474 1 . GLU 372 372 50474 1 . ASP 373 373 50474 1 . LEU 374 374 50474 1 . PRO 375 375 50474 1 . LEU 376 376 50474 1 . ASN 377 377 50474 1 . LEU 378 378 50474 1 . SER 379 379 50474 1 . ARG 380 380 50474 1 . GLU 381 381 50474 1 . MET 382 382 50474 1 . LEU 383 383 50474 1 . GLN 384 384 50474 1 . GLN 385 385 50474 1 . ASN 386 386 50474 1 . LYS 387 387 50474 1 . ILE 388 388 50474 1 . MET 389 389 50474 1 . LYS 390 390 50474 1 . VAL 391 391 50474 1 . ILE 392 392 50474 1 . ARG 393 393 50474 1 . LYS 394 394 50474 1 . ASN 395 395 50474 1 . ILE 396 396 50474 1 . VAL 397 397 50474 1 . LYS 398 398 50474 1 . LYS 399 399 50474 1 . LEU 400 400 50474 1 . ILE 401 401 50474 1 . GLU 402 402 50474 1 . ALA 403 403 50474 1 . PHE 404 404 50474 1 . ASN 405 405 50474 1 . GLU 406 406 50474 1 . ILE 407 407 50474 1 . ALA 408 408 50474 1 . GLU 409 409 50474 1 . ASP 410 410 50474 1 . SER 411 411 50474 1 . GLU 412 412 50474 1 . GLN 413 413 50474 1 . PHE 414 414 50474 1 . GLU 415 415 50474 1 . LYS 416 416 50474 1 . PHE 417 417 50474 1 . TYR 418 418 50474 1 . SER 419 419 50474 1 . ALA 420 420 50474 1 . PHE 421 421 50474 1 . SER 422 422 50474 1 . LYS 423 423 50474 1 . ASN 424 424 50474 1 . ILE 425 425 50474 1 . LYS 426 426 50474 1 . LEU 427 427 50474 1 . GLY 428 428 50474 1 . VAL 429 429 50474 1 . HIS 430 430 50474 1 . GLU 431 431 50474 1 . ASP 432 432 50474 1 . THR 433 433 50474 1 . GLN 434 434 50474 1 . ASN 435 435 50474 1 . ARG 436 436 50474 1 . ALA 437 437 50474 1 . ALA 438 438 50474 1 . LEU 439 439 50474 1 . ALA 440 440 50474 1 . LYS 441 441 50474 1 . LEU 442 442 50474 1 . LEU 443 443 50474 1 . ARG 444 444 50474 1 . TYR 445 445 50474 1 . ASN 446 446 50474 1 . SER 447 447 50474 1 . THR 448 448 50474 1 . LYS 449 449 50474 1 . SER 450 450 50474 1 . VAL 451 451 50474 1 . ASP 452 452 50474 1 . GLU 453 453 50474 1 . LEU 454 454 50474 1 . THR 455 455 50474 1 . SER 456 456 50474 1 . LEU 457 457 50474 1 . THR 458 458 50474 1 . ASP 459 459 50474 1 . TYR 460 460 50474 1 . VAL 461 461 50474 1 . THR 462 462 50474 1 . ARG 463 463 50474 1 . MET 464 464 50474 1 . PRO 465 465 50474 1 . GLU 466 466 50474 1 . HIS 467 467 50474 1 . GLN 468 468 50474 1 . LYS 469 469 50474 1 . ASN 470 470 50474 1 . ILE 471 471 50474 1 . TYR 472 472 50474 1 . TYR 473 473 50474 1 . ILE 474 474 50474 1 . THR 475 475 50474 1 . GLY 476 476 50474 1 . GLU 477 477 50474 1 . SER 478 478 50474 1 . LEU 479 479 50474 1 . LYS 480 480 50474 1 . ALA 481 481 50474 1 . VAL 482 482 50474 1 . GLU 483 483 50474 1 . LYS 484 484 50474 1 . SER 485 485 50474 1 . PRO 486 486 50474 1 . PHE 487 487 50474 1 . LEU 488 488 50474 1 . ASP 489 489 50474 1 . ALA 490 490 50474 1 . LEU 491 491 50474 1 . LYS 492 492 50474 1 . ALA 493 493 50474 1 . LYS 494 494 50474 1 . ASN 495 495 50474 1 . PHE 496 496 50474 1 . GLU 497 497 50474 1 . VAL 498 498 50474 1 . LEU 499 499 50474 1 . PHE 500 500 50474 1 . LEU 501 501 50474 1 . THR 502 502 50474 1 . ASP 503 503 50474 1 . PRO 504 504 50474 1 . ILE 505 505 50474 1 . ASP 506 506 50474 1 . GLU 507 507 50474 1 . TYR 508 508 50474 1 . ALA 509 509 50474 1 . PHE 510 510 50474 1 . THR 511 511 50474 1 . GLN 512 512 50474 1 . LEU 513 513 50474 1 . LYS 514 514 50474 1 . GLU 515 515 50474 1 . PHE 516 516 50474 1 . GLU 517 517 50474 1 . GLY 518 518 50474 1 . LYS 519 519 50474 1 . THR 520 520 50474 1 . LEU 521 521 50474 1 . VAL 522 522 50474 1 . ASP 523 523 50474 1 . ILE 524 524 50474 1 . THR 525 525 50474 1 . LYS 526 526 50474 1 . ASP 527 527 50474 1 . PHE 528 528 50474 1 . GLU 529 529 50474 1 . LEU 530 530 50474 1 . GLU 531 531 50474 1 . GLU 532 532 50474 1 . THR 533 533 50474 1 . ASP 534 534 50474 1 . GLU 535 535 50474 1 . GLU 536 536 50474 1 . LYS 537 537 50474 1 . ALA 538 538 50474 1 . GLU 539 539 50474 1 . ARG 540 540 50474 1 . GLU 541 541 50474 1 . LYS 542 542 50474 1 . GLU 543 543 50474 1 . ILE 544 544 50474 1 . LYS 545 545 50474 1 . GLU 546 546 50474 1 . TYR 547 547 50474 1 . GLU 548 548 50474 1 . PRO 549 549 50474 1 . LEU 550 550 50474 1 . THR 551 551 50474 1 . LYS 552 552 50474 1 . ALA 553 553 50474 1 . LEU 554 554 50474 1 . LYS 555 555 50474 1 . GLU 556 556 50474 1 . ILE 557 557 50474 1 . LEU 558 558 50474 1 . GLY 559 559 50474 1 . ASP 560 560 50474 1 . GLN 561 561 50474 1 . VAL 562 562 50474 1 . GLU 563 563 50474 1 . LYS 564 564 50474 1 . VAL 565 565 50474 1 . VAL 566 566 50474 1 . VAL 567 567 50474 1 . SER 568 568 50474 1 . TYR 569 569 50474 1 . LYS 570 570 50474 1 . LEU 571 571 50474 1 . LEU 572 572 50474 1 . ASP 573 573 50474 1 . ALA 574 574 50474 1 . PRO 575 575 50474 1 . ALA 576 576 50474 1 . ALA 577 577 50474 1 . ILE 578 578 50474 1 . ARG 579 579 50474 1 . THR 580 580 50474 1 . GLY 581 581 50474 1 . GLN 582 582 50474 1 . PHE 583 583 50474 1 . GLY 584 584 50474 1 . TRP 585 585 50474 1 . SER 586 586 50474 1 . ALA 587 587 50474 1 . ASN 588 588 50474 1 . MET 589 589 50474 1 . GLU 590 590 50474 1 . ARG 591 591 50474 1 . ILE 592 592 50474 1 . MET 593 593 50474 1 . LYS 594 594 50474 1 . ALA 595 595 50474 1 . GLN 596 596 50474 1 . ALA 597 597 50474 1 . LEU 598 598 50474 1 . ARG 599 599 50474 1 . ASP 600 600 50474 1 . SER 601 601 50474 1 . SER 602 602 50474 1 . MET 603 603 50474 1 . SER 604 604 50474 1 . SER 605 605 50474 1 . TYR 606 606 50474 1 . MET 607 607 50474 1 . SER 608 608 50474 1 . SER 609 609 50474 1 . LYS 610 610 50474 1 . LYS 611 611 50474 1 . THR 612 612 50474 1 . PHE 613 613 50474 1 . GLU 614 614 50474 1 . ILE 615 615 50474 1 . SER 616 616 50474 1 . PRO 617 617 50474 1 . LYS 618 618 50474 1 . SER 619 619 50474 1 . PRO 620 620 50474 1 . ILE 621 621 50474 1 . ILE 622 622 50474 1 . LYS 623 623 50474 1 . GLU 624 624 50474 1 . LEU 625 625 50474 1 . LYS 626 626 50474 1 . LYS 627 627 50474 1 . ARG 628 628 50474 1 . VAL 629 629 50474 1 . ASP 630 630 50474 1 . GLU 631 631 50474 1 . GLY 632 632 50474 1 . GLY 633 633 50474 1 . ALA 634 634 50474 1 . GLN 635 635 50474 1 . ASP 636 636 50474 1 . LYS 637 637 50474 1 . THR 638 638 50474 1 . VAL 639 639 50474 1 . LYS 640 640 50474 1 . ASP 641 641 50474 1 . LEU 642 642 50474 1 . THR 643 643 50474 1 . LYS 644 644 50474 1 . LEU 645 645 50474 1 . LEU 646 646 50474 1 . TYR 647 647 50474 1 . GLU 648 648 50474 1 . THR 649 649 50474 1 . ALA 650 650 50474 1 . LEU 651 651 50474 1 . LEU 652 652 50474 1 . THR 653 653 50474 1 . SER 654 654 50474 1 . GLY 655 655 50474 1 . PHE 656 656 50474 1 . SER 657 657 50474 1 . LEU 658 658 50474 1 . ASP 659 659 50474 1 . GLU 660 660 50474 1 . PRO 661 661 50474 1 . THR 662 662 50474 1 . SER 663 663 50474 1 . PHE 664 664 50474 1 . ALA 665 665 50474 1 . SER 666 666 50474 1 . ARG 667 667 50474 1 . ILE 668 668 50474 1 . ASN 669 669 50474 1 . ARG 670 670 50474 1 . LEU 671 671 50474 1 . ILE 672 672 50474 1 . SER 673 673 50474 1 . LEU 674 674 50474 1 . GLY 675 675 50474 1 . LEU 676 676 50474 1 . ASN 677 677 50474 1 . ILE 678 678 50474 1 . ASP 679 679 50474 1 . GLU 680 680 50474 1 . ASP 681 681 50474 1 . GLU 682 682 50474 1 . GLU 683 683 50474 1 . THR 684 684 50474 1 . GLU 685 685 50474 1 . THR 686 686 50474 1 . ALA 687 687 50474 1 . PRO 688 688 50474 1 . GLU 689 689 50474 1 . ALA 690 690 50474 1 . SER 691 691 50474 1 . THR 692 692 50474 1 . ALA 693 693 50474 1 . ALA 694 694 50474 1 . PRO 695 695 50474 1 . VAL 696 696 50474 1 . GLU 697 697 50474 1 . GLU 698 698 50474 1 . VAL 699 699 50474 1 . PRO 700 700 50474 1 . ALA 701 701 50474 1 . ASP 702 702 50474 1 . THR 703 703 50474 1 . GLU 704 704 50474 1 . MET 705 705 50474 1 . GLU 706 706 50474 1 . GLU 707 707 50474 1 . VAL 708 708 50474 1 . ASP 709 709 50474 1 stop_ save_ save_entity_ANP _Entity.Sf_category entity _Entity.Sf_framecode entity_ANP _Entity.Entry_ID 50474 _Entity.ID 2 _Entity.BMRB_code ANP _Entity.Name 'PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER' _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 ANP _Entity.Nonpolymer_comp_label $chem_comp_ANP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 506.196 _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 'PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER' BMRB 50474 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER' BMRB 50474 2 ANP 'Three letter code' 50474 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 ANP $chem_comp_ANP 50474 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50474 _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 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 50474 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50474 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . plasmid . . pETM11 . . . 50474 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ANP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ANP _Chem_comp.Entry_ID 50474 _Chem_comp.ID ANP _Chem_comp.Provenance PDB _Chem_comp.Name 'PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ANP _Chem_comp.PDB_code ANP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ANP _Chem_comp.Number_atoms_all 48 _Chem_comp.Number_atoms_nh 31 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1 ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H17 N6 O12 P3' _Chem_comp.Formula_weight 506.196 _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 1CDK _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 ; InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1 ; InChI InChI 1.03 50474 ANP Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.370 50474 ANP Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.370 50474 ANP O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O SMILES ACDLabs 12.01 50474 ANP PVKSNHVPLWYQGJ-KQYNXXCUSA-N InChIKey InChI 1.03 50474 ANP c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N SMILES 'OpenEye OEToolkits' 1.7.0 50474 ANP c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 50474 ANP 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 5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]adenosine 'SYSTEMATIC NAME' ACDLabs 12.01 50474 ANP ; [[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid ; 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.0 50474 ANP 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 PG PG PG PG . P . . N 0 . . . 1 no no . . . . 19.856 . 1.322 . 30.600 . -6.378 -1.825 0.655 1 . 50474 ANP O1G O1G O1G O1G . O . . N 0 . . . 1 no no . . . . 19.624 . -0.185 . 30.604 . -7.433 -0.828 0.364 2 . 50474 ANP O2G O2G O2G O2G . O . . N 0 . . . 1 no no . . . . 21.237 . 1.803 . 30.942 . -6.838 -2.747 1.893 3 . 50474 ANP O3G O3G O3G O3G . O . . N 0 . . . 1 no no . . . . 19.335 . 1.937 . 29.376 . -6.140 -2.748 -0.642 4 . 50474 ANP PB PB PB PB . P . . N 0 . . . 1 no no . . . . 17.748 . 1.033 . 32.587 . -4.432 -0.054 -0.222 5 . 50474 ANP O1B O1B O1B O1B . O . . N 0 . . . 1 no no . . . . 16.520 . 1.253 . 31.821 . -4.197 -0.888 -1.421 6 . 50474 ANP O2B O2B O2B O2B . O . . N 0 . . . 1 no no . . . . 18.183 . -0.335 . 32.911 . -5.562 1.047 -0.546 7 . 50474 ANP N3B N3B N3B N3B . N . . N 0 . . . 1 no no . . . . 18.994 . 1.872 . 31.872 . -4.948 -1.030 1.048 8 . 50474 ANP PA PA PA PA . P . . N 0 . . . 1 no no . . . . 18.662 . 2.063 . 35.108 . -2.086 1.727 -0.551 9 . 50474 ANP O1A O1A O1A O1A . O . . N 0 . . . 1 no no . . . . 18.607 . 0.981 . 36.114 . -1.948 1.343 -1.974 10 . 50474 ANP O2A O2A O2A O2A . O . . N 0 . . . 1 no no . . . . 19.979 . 2.473 . 34.514 . -2.704 3.210 -0.454 11 . 50474 ANP O3A O3A O3A O3A . O . . N 0 . . . 1 no no . . . . 17.542 . 1.802 . 33.963 . -3.064 0.688 0.193 12 . 50474 ANP O5' O5' O5' O5' . O . . N 0 . . . 1 no no . . . . 18.007 . 3.349 . 35.810 . -0.638 1.701 0.154 13 . 50474 ANP C5' C5' C5' C5' . C . . N 0 . . . 1 no no . . . . 17.758 . 4.536 . 35.042 . 0.482 2.437 -0.341 14 . 50474 ANP C4' C4' C4' C4' . C . . R 0 . . . 1 no no . . . . 18.280 . 5.752 . 35.777 . 1.693 2.189 0.561 15 . 50474 ANP O4' O4' O4' O4' . O . . N 0 . . . 1 no no . . . . 17.664 . 5.878 . 37.083 . 2.107 0.817 0.457 16 . 50474 ANP C3' C3' C3' C3' . C . . S 0 . . . 1 no no . . . . 19.774 . 5.675 . 36.026 . 2.877 3.061 0.099 17 . 50474 ANP O3' O3' O3' O3' . O . . N 0 . . . 1 no no . . . . 20.547 . 6.109 . 34.897 . 3.286 3.944 1.146 18 . 50474 ANP C2' C2' C2' C2' . C . . R 0 . . . 1 no no . . . . 19.959 . 6.561 . 37.230 . 3.998 2.042 -0.218 19 . 50474 ANP O2' O2' O2' O2' . O . . N 0 . . . 1 no no . . . . 20.066 . 7.931 . 36.805 . 5.264 2.516 0.244 20 . 50474 ANP C1' C1' C1' C1' . C . . R 0 . . . 1 no no . . . . 18.654 . 6.387 . 38.006 . 3.545 0.799 0.590 21 . 50474 ANP N9 N9 N9 N9 . N . . N 0 . . . 1 yes no . . . . 18.844 . 5.464 . 39.101 . 4.102 -0.425 0.008 22 . 50474 ANP C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . 18.891 . 4.090 . 39.068 . 3.519 -1.201 -0.950 23 . 50474 ANP N7 N7 N7 N7 . N . . N 0 . . . 1 yes no . . . . 19.060 . 3.550 . 40.242 . 4.289 -2.210 -1.233 24 . 50474 ANP C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . 19.108 . 4.636 . 41.110 . 5.412 -2.147 -0.477 25 . 50474 ANP C6 C6 C6 C6 . C . . N 0 . . . 1 yes no . . . . 19.198 . 4.724 . 42.505 . 6.566 -2.940 -0.354 26 . 50474 ANP N6 N6 N6 N6 . N . . N 0 . . . 1 no no . . . . 19.258 . 3.640 . 43.295 . 6.727 -4.080 -1.121 27 . 50474 ANP N1 N1 N1 N1 . N . . N 0 . . . 1 yes no . . . . 19.225 . 5.971 . 43.054 . 7.499 -2.568 0.517 28 . 50474 ANP C2 C2 C2 C2 . C . . N 0 . . . 1 yes no . . . . 19.148 . 7.038 . 42.259 . 7.354 -1.482 1.253 29 . 50474 ANP N3 N3 N3 N3 . N . . N 0 . . . 1 yes no . . . . 18.998 . 7.081 . 40.944 . 6.290 -0.710 1.171 30 . 50474 ANP C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . 19.001 . 5.813 . 40.424 . 5.308 -0.998 0.324 31 . 50474 ANP HOG2 HOG2 HOG2 HOG2 . H . . N 0 . . . 0 no no . . . . 21.797 . 1.057 . 31.121 . -7.657 -3.236 1.736 32 . 50474 ANP HOG3 HOG3 HOG3 HOG3 . H . . N 0 . . . 0 no no . . . . 18.952 . 1.267 . 28.822 . -5.460 -3.426 -0.524 33 . 50474 ANP HOB2 HOB2 HOB2 HOB2 . H . . N 0 . . . 0 no no . . . . 17.562 . -0.958 . 32.553 . -5.767 1.630 0.198 34 . 50474 ANP HNB1 HNB1 HNB1 HNB1 . H . . N 0 . . . 0 no no . . . . 19.667 . 2.002 . 32.600 . -5.054 -0.494 1.897 35 . 50474 ANP HOA2 HOA2 HOA2 HOA2 . H . . N 0 . . . 0 no no . . . . 20.674 . 1.944 . 34.888 . -2.822 3.528 0.452 36 . 50474 ANP H5'1 H5'1 H5'1 H5'1 . H . . N 0 . . . 0 no no . . . . 18.268 . 4.453 . 34.071 . 0.711 2.111 -1.355 37 . 50474 ANP H5'2 H5'2 H5'2 H5'2 . H . . N 0 . . . 0 no no . . . . 16.675 . 4.645 . 34.884 . 0.244 3.501 -0.346 38 . 50474 ANP H4' H4' H4' H4' . H . . N 0 . . . 1 no no . . . . 18.040 . 6.608 . 35.130 . 1.439 2.422 1.595 39 . 50474 ANP H3' H3' H3' H3' . H . . N 0 . . . 1 no no . . . . 20.128 . 4.647 . 36.191 . 2.609 3.627 -0.793 40 . 50474 ANP HO3' HO3' HO3' HO3' . H . . N 0 . . . 0 no no . . . . 21.472 . 6.042 . 35.102 . 4.028 4.517 0.910 41 . 50474 ANP H2' H2' H2' H2' . H . . N 0 . . . 1 no no . . . . 20.857 . 6.312 . 37.814 . 4.033 1.822 -1.285 42 . 50474 ANP HO2' HO2' HO2' HO2' . H . . N 0 . . . 0 no no . . . . 20.183 . 8.490 . 37.564 . 5.549 3.343 -0.169 43 . 50474 ANP H1' H1' H1' H1' . H . . N 0 . . . 1 no no . . . . 18.325 . 7.347 . 38.431 . 3.835 0.895 1.636 44 . 50474 ANP H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . 18.797 . 3.515 . 38.159 . 2.560 -1.006 -1.406 45 . 50474 ANP HN61 HN61 HN61 HN61 . H . . N 0 . . . 0 no no . . . . 19.319 . 3.927 . 44.251 . 6.040 -4.341 -1.753 46 . 50474 ANP HN62 HN62 HN62 HN62 . H . . N 0 . . . 0 no no . . . . 18.435 . 3.087 . 43.165 . 7.529 -4.619 -1.027 47 . 50474 ANP H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . 19.217 . 7.996 . 42.753 . 8.136 -1.216 1.948 48 . 50474 ANP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PG O1G no N 1 . 50474 ANP 2 . SING PG O2G no N 2 . 50474 ANP 3 . SING PG O3G no N 3 . 50474 ANP 4 . SING PG N3B no N 4 . 50474 ANP 5 . SING O2G HOG2 no N 5 . 50474 ANP 6 . SING O3G HOG3 no N 6 . 50474 ANP 7 . DOUB PB O1B no N 7 . 50474 ANP 8 . SING PB O2B no N 8 . 50474 ANP 9 . SING PB N3B no N 9 . 50474 ANP 10 . SING PB O3A no N 10 . 50474 ANP 11 . SING O2B HOB2 no N 11 . 50474 ANP 12 . SING N3B HNB1 no N 12 . 50474 ANP 13 . DOUB PA O1A no N 13 . 50474 ANP 14 . SING PA O2A no N 14 . 50474 ANP 15 . SING PA O3A no N 15 . 50474 ANP 16 . SING PA O5' no N 16 . 50474 ANP 17 . SING O2A HOA2 no N 17 . 50474 ANP 18 . SING O5' C5' no N 18 . 50474 ANP 19 . SING C5' C4' no N 19 . 50474 ANP 20 . SING C5' H5'1 no N 20 . 50474 ANP 21 . SING C5' H5'2 no N 21 . 50474 ANP 22 . SING C4' O4' no N 22 . 50474 ANP 23 . SING C4' C3' no N 23 . 50474 ANP 24 . SING C4' H4' no N 24 . 50474 ANP 25 . SING O4' C1' no N 25 . 50474 ANP 26 . SING C3' O3' no N 26 . 50474 ANP 27 . SING C3' C2' no N 27 . 50474 ANP 28 . SING C3' H3' no N 28 . 50474 ANP 29 . SING O3' HO3' no N 29 . 50474 ANP 30 . SING C2' O2' no N 30 . 50474 ANP 31 . SING C2' C1' no N 31 . 50474 ANP 32 . SING C2' H2' no N 32 . 50474 ANP 33 . SING O2' HO2' no N 33 . 50474 ANP 34 . SING C1' N9 no N 34 . 50474 ANP 35 . SING C1' H1' no N 35 . 50474 ANP 36 . SING N9 C8 yes N 36 . 50474 ANP 37 . SING N9 C4 yes N 37 . 50474 ANP 38 . DOUB C8 N7 yes N 38 . 50474 ANP 39 . SING C8 H8 no N 39 . 50474 ANP 40 . SING N7 C5 yes N 40 . 50474 ANP 41 . SING C5 C6 yes N 41 . 50474 ANP 42 . DOUB C5 C4 yes N 42 . 50474 ANP 43 . SING C6 N6 no N 43 . 50474 ANP 44 . DOUB C6 N1 yes N 44 . 50474 ANP 45 . SING N6 HN61 no N 45 . 50474 ANP 46 . SING N6 HN62 no N 46 . 50474 ANP 47 . SING N1 C2 yes N 47 . 50474 ANP 48 . DOUB C2 N3 yes N 48 . 50474 ANP 49 . SING C2 H2 no N 49 . 50474 ANP 50 . SING N3 C4 yes N 50 . 50474 ANP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50474 _Sample.ID 1 _Sample.Name 'Hsp90 methyl labeled' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Sample 100 uM approx, in Tris D11 buffer pH 7, 100 mM NaCl, 5 mM MgCl2' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Yeast Hsp90' ; [U-2H; 99%, 13CD; 1HD-Ile,Leu; 99%, U-2H; 99%, 13CE; 1HE-Met; 99%, U-2H; 99%, 13CG; 1HDG-Val; 99%, U-2H; 99%, 13CDB; 1HB-Ala; 99%] ; . . 1 $entity_1 . . 100 . . uM . . . . 50474 1 2 AMP-PNP 'natural abundance' . . 2 $entity_ANP . . 5 . . mM . . . . 50474 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 50474 1 4 TRIS [U-2H] . . . . . . 25 . . mM . . . . 50474 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50474 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Deuterated tris buffer 100% D2O, 100 mM NaCl, 5 mM MgCl2' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 50474 1 pH* 7 . pH 50474 1 pressure 1 . atm 50474 1 temperature 303 . K 50474 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50474 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50474 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50474 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50474 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50474 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50474 3 'peak picking' . 50474 3 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 50474 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Buster _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50474 _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-13C HMQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50474 1 2 '4D CC NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50474 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 50474 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Hsp90 methyl referencing' _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 carbons' . . . . ppm 0 internal direct 1 . . . . . 50474 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 50474 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 50474 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Methyl labeled Hsp90' _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-13C HMQC' . . . 50474 1 2 '4D CC NOESY' . . . 50474 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50474 1 2 $software_2 . . 50474 1 3 $software_3 . . 50474 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 1 1 MET HE1 H 1 2.105 . . 1 . . . . . 1 MET ME . 50474 1 2 . 1 . 1 1 1 MET HE2 H 1 2.105 . . 1 . . . . . 1 MET ME . 50474 1 3 . 1 . 1 1 1 MET HE3 H 1 2.105 . . 1 . . . . . 1 MET ME . 50474 1 4 . 1 . 1 1 1 MET CE C 13 16.976 . . 1 . . . . . 1 MET CE . 50474 1 5 . 1 . 1 2 2 ALA HB1 H 1 1.452 . . 1 . . . . . 2 ALA MB . 50474 1 6 . 1 . 1 2 2 ALA HB2 H 1 1.452 . . 1 . . . . . 2 ALA MB . 50474 1 7 . 1 . 1 2 2 ALA HB3 H 1 1.452 . . 1 . . . . . 2 ALA MB . 50474 1 8 . 1 . 1 2 2 ALA CB C 13 19.098 . . 1 . . . . . 2 ALA CB . 50474 1 9 . 1 . 1 10 10 ALA HB1 H 1 1.474 . . 1 . . . . . 10 ALA MB . 50474 1 10 . 1 . 1 10 10 ALA HB2 H 1 1.474 . . 1 . . . . . 10 ALA MB . 50474 1 11 . 1 . 1 10 10 ALA HB3 H 1 1.474 . . 1 . . . . . 10 ALA MB . 50474 1 12 . 1 . 1 10 10 ALA CB C 13 18.653 . . 1 . . . . . 10 ALA CB . 50474 1 13 . 1 . 1 12 12 ILE HD11 H 1 0.823 . . 1 . . . . . 12 ILE MD . 50474 1 14 . 1 . 1 12 12 ILE HD12 H 1 0.823 . . 1 . . . . . 12 ILE MD . 50474 1 15 . 1 . 1 12 12 ILE HD13 H 1 0.823 . . 1 . . . . . 12 ILE MD . 50474 1 16 . 1 . 1 12 12 ILE CD1 C 13 11.251 . . 1 . . . . . 12 ILE CD1 . 50474 1 17 . 1 . 1 15 15 LEU HD11 H 1 0.970 . . 1 . . . . . 15 LEU MD1 . 50474 1 18 . 1 . 1 15 15 LEU HD12 H 1 0.970 . . 1 . . . . . 15 LEU MD1 . 50474 1 19 . 1 . 1 15 15 LEU HD13 H 1 0.970 . . 1 . . . . . 15 LEU MD1 . 50474 1 20 . 1 . 1 15 15 LEU CD1 C 13 24.111 . . 1 . . . . . 15 LEU CD1 . 50474 1 21 . 1 . 1 16 16 MET HE1 H 1 1.096 . . 1 . . . . . 16 MET ME . 50474 1 22 . 1 . 1 16 16 MET HE2 H 1 1.096 . . 1 . . . . . 16 MET ME . 50474 1 23 . 1 . 1 16 16 MET HE3 H 1 1.096 . . 1 . . . . . 16 MET ME . 50474 1 24 . 1 . 1 16 16 MET CE C 13 15.888 . . 1 . . . . . 16 MET CE . 50474 1 25 . 1 . 1 18 18 LEU HD11 H 1 0.815 . . 1 . . . . . 18 LEU MD1 . 50474 1 26 . 1 . 1 18 18 LEU HD12 H 1 0.815 . . 1 . . . . . 18 LEU MD1 . 50474 1 27 . 1 . 1 18 18 LEU HD13 H 1 0.815 . . 1 . . . . . 18 LEU MD1 . 50474 1 28 . 1 . 1 18 18 LEU CD1 C 13 24.833 . . 1 . . . . . 18 LEU CD1 . 50474 1 29 . 1 . 1 19 19 ILE HD11 H 1 0.731 . . 1 . . . . . 19 ILE MD . 50474 1 30 . 1 . 1 19 19 ILE HD12 H 1 0.731 . . 1 . . . . . 19 ILE MD . 50474 1 31 . 1 . 1 19 19 ILE HD13 H 1 0.731 . . 1 . . . . . 19 ILE MD . 50474 1 32 . 1 . 1 19 19 ILE CD1 C 13 12.879 . . 1 . . . . . 19 ILE CD1 . 50474 1 33 . 1 . 1 20 20 ILE HD11 H 1 0.833 . . 1 . . . . . 20 ILE MD . 50474 1 34 . 1 . 1 20 20 ILE HD12 H 1 0.833 . . 1 . . . . . 20 ILE MD . 50474 1 35 . 1 . 1 20 20 ILE HD13 H 1 0.833 . . 1 . . . . . 20 ILE MD . 50474 1 36 . 1 . 1 20 20 ILE CD1 C 13 13.857 . . 1 . . . . . 20 ILE CD1 . 50474 1 37 . 1 . 1 29 29 ILE HD11 H 1 0.721 . . 1 . . . . . 29 ILE MD . 50474 1 38 . 1 . 1 29 29 ILE HD12 H 1 0.721 . . 1 . . . . . 29 ILE MD . 50474 1 39 . 1 . 1 29 29 ILE HD13 H 1 0.721 . . 1 . . . . . 29 ILE MD . 50474 1 40 . 1 . 1 29 29 ILE CD1 C 13 14.757 . . 1 . . . . . 29 ILE CD1 . 50474 1 41 . 1 . 1 31 31 LEU HD11 H 1 0.661 . . 1 . . . . . 31 LEU MD1 . 50474 1 42 . 1 . 1 31 31 LEU HD12 H 1 0.661 . . 1 . . . . . 31 LEU MD1 . 50474 1 43 . 1 . 1 31 31 LEU HD13 H 1 0.661 . . 1 . . . . . 31 LEU MD1 . 50474 1 44 . 1 . 1 31 31 LEU CD1 C 13 23.496 . . 1 . . . . . 31 LEU CD1 . 50474 1 45 . 1 . 1 34 34 LEU HD11 H 1 0.898 . . 1 . . . . . 34 LEU MD1 . 50474 1 46 . 1 . 1 34 34 LEU HD12 H 1 0.898 . . 1 . . . . . 34 LEU MD1 . 50474 1 47 . 1 . 1 34 34 LEU HD13 H 1 0.898 . . 1 . . . . . 34 LEU MD1 . 50474 1 48 . 1 . 1 34 34 LEU CD1 C 13 26.465 . . 1 . . . . . 34 LEU CD1 . 50474 1 49 . 1 . 1 35 35 ILE HD11 H 1 0.654 . . 1 . . . . . 35 ILE MD . 50474 1 50 . 1 . 1 35 35 ILE HD12 H 1 0.654 . . 1 . . . . . 35 ILE MD . 50474 1 51 . 1 . 1 35 35 ILE HD13 H 1 0.654 . . 1 . . . . . 35 ILE MD . 50474 1 52 . 1 . 1 35 35 ILE CD1 C 13 11.734 . . 1 . . . . . 35 ILE CD1 . 50474 1 53 . 1 . 1 41 41 ALA HB1 H 1 1.447 . . 1 . . . . . 41 ALA MB . 50474 1 54 . 1 . 1 41 41 ALA HB2 H 1 1.447 . . 1 . . . . . 41 ALA MB . 50474 1 55 . 1 . 1 41 41 ALA HB3 H 1 1.447 . . 1 . . . . . 41 ALA MB . 50474 1 56 . 1 . 1 41 41 ALA CB C 13 19.156 . . 1 . . . . . 41 ALA CB . 50474 1 57 . 1 . 1 42 42 LEU HD11 H 1 0.094 . . 1 . . . . . 42 LEU MD1 . 50474 1 58 . 1 . 1 42 42 LEU HD12 H 1 0.094 . . 1 . . . . . 42 LEU MD1 . 50474 1 59 . 1 . 1 42 42 LEU HD13 H 1 0.094 . . 1 . . . . . 42 LEU MD1 . 50474 1 60 . 1 . 1 42 42 LEU CD1 C 13 25.577 . . 1 . . . . . 42 LEU CD1 . 50474 1 61 . 1 . 1 45 45 ILE HD11 H 1 0.979 . . 1 . . . . . 45 ILE MD . 50474 1 62 . 1 . 1 45 45 ILE HD12 H 1 0.979 . . 1 . . . . . 45 ILE MD . 50474 1 63 . 1 . 1 45 45 ILE HD13 H 1 0.979 . . 1 . . . . . 45 ILE MD . 50474 1 64 . 1 . 1 45 45 ILE CD1 C 13 14.368 . . 1 . . . . . 45 ILE CD1 . 50474 1 65 . 1 . 1 50 50 LEU HD11 H 1 0.912 . . 1 . . . . . 50 LEU MD1 . 50474 1 66 . 1 . 1 50 50 LEU HD12 H 1 0.912 . . 1 . . . . . 50 LEU MD1 . 50474 1 67 . 1 . 1 50 50 LEU HD13 H 1 0.912 . . 1 . . . . . 50 LEU MD1 . 50474 1 68 . 1 . 1 50 50 LEU CD1 C 13 25.374 . . 1 . . . . . 50 LEU CD1 . 50474 1 69 . 1 . 1 56 56 LEU HD11 H 1 1.000 . . 1 . . . . . 56 LEU MD1 . 50474 1 70 . 1 . 1 56 56 LEU HD12 H 1 1.000 . . 1 . . . . . 56 LEU MD1 . 50474 1 71 . 1 . 1 56 56 LEU HD13 H 1 1.000 . . 1 . . . . . 56 LEU MD1 . 50474 1 72 . 1 . 1 56 56 LEU CD1 C 13 24.625 . . 1 . . . . . 56 LEU CD1 . 50474 1 73 . 1 . 1 62 62 LEU HD11 H 1 1.005 . . 1 . . . . . 62 LEU MD1 . 50474 1 74 . 1 . 1 62 62 LEU HD12 H 1 1.005 . . 1 . . . . . 62 LEU MD1 . 50474 1 75 . 1 . 1 62 62 LEU HD13 H 1 1.005 . . 1 . . . . . 62 LEU MD1 . 50474 1 76 . 1 . 1 62 62 LEU CD1 C 13 25.908 . . 1 . . . . . 62 LEU CD1 . 50474 1 77 . 1 . 1 64 64 ILE HD11 H 1 0.751 . . 1 . . . . . 64 ILE MD . 50474 1 78 . 1 . 1 64 64 ILE HD12 H 1 0.751 . . 1 . . . . . 64 ILE MD . 50474 1 79 . 1 . 1 64 64 ILE HD13 H 1 0.751 . . 1 . . . . . 64 ILE MD . 50474 1 80 . 1 . 1 64 64 ILE CD1 C 13 14.363 . . 1 . . . . . 64 ILE CD1 . 50474 1 81 . 1 . 1 74 74 VAL HG11 H 1 0.479 . . 1 . . . . . 74 VAL MG1 . 50474 1 82 . 1 . 1 74 74 VAL HG12 H 1 0.479 . . 1 . . . . . 74 VAL MG1 . 50474 1 83 . 1 . 1 74 74 VAL HG13 H 1 0.479 . . 1 . . . . . 74 VAL MG1 . 50474 1 84 . 1 . 1 74 74 VAL CG1 C 13 22.730 . . 1 . . . . . 74 VAL CG1 . 50474 1 85 . 1 . 1 75 75 LEU HD11 H 1 0.912 . . 1 . . . . . 75 LEU MD1 . 50474 1 86 . 1 . 1 75 75 LEU HD12 H 1 0.912 . . 1 . . . . . 75 LEU MD1 . 50474 1 87 . 1 . 1 75 75 LEU HD13 H 1 0.912 . . 1 . . . . . 75 LEU MD1 . 50474 1 88 . 1 . 1 75 75 LEU CD1 C 13 22.689 . . 1 . . . . . 75 LEU CD1 . 50474 1 89 . 1 . 1 77 77 ILE HD11 H 1 0.808 . . 1 . . . . . 77 ILE MD . 50474 1 90 . 1 . 1 77 77 ILE HD12 H 1 0.808 . . 1 . . . . . 77 ILE MD . 50474 1 91 . 1 . 1 77 77 ILE HD13 H 1 0.808 . . 1 . . . . . 77 ILE MD . 50474 1 92 . 1 . 1 77 77 ILE CD1 C 13 15.572 . . 1 . . . . . 77 ILE CD1 . 50474 1 93 . 1 . 1 82 82 ILE HD11 H 1 0.894 . . 1 . . . . . 82 ILE MD . 50474 1 94 . 1 . 1 82 82 ILE HD12 H 1 0.894 . . 1 . . . . . 82 ILE MD . 50474 1 95 . 1 . 1 82 82 ILE HD13 H 1 0.894 . . 1 . . . . . 82 ILE MD . 50474 1 96 . 1 . 1 82 82 ILE CD1 C 13 15.575 . . 1 . . . . . 82 ILE CD1 . 50474 1 97 . 1 . 1 84 84 MET HE1 H 1 0.480 . . 1 . . . . . 84 MET ME . 50474 1 98 . 1 . 1 84 84 MET HE2 H 1 0.480 . . 1 . . . . . 84 MET ME . 50474 1 99 . 1 . 1 84 84 MET HE3 H 1 0.480 . . 1 . . . . . 84 MET ME . 50474 1 100 . 1 . 1 84 84 MET CE C 13 16.645 . . 1 . . . . . 84 MET CE . 50474 1 101 . 1 . 1 87 87 ALA HB1 H 1 1.245 . . 1 . . . . . 87 ALA MB . 50474 1 102 . 1 . 1 87 87 ALA HB2 H 1 1.245 . . 1 . . . . . 87 ALA MB . 50474 1 103 . 1 . 1 87 87 ALA HB3 H 1 1.245 . . 1 . . . . . 87 ALA MB . 50474 1 104 . 1 . 1 87 87 ALA CB C 13 17.982 . . 1 . . . . . 87 ALA CB . 50474 1 105 . 1 . 1 89 89 LEU HD11 H 1 0.753 . . 1 . . . . . 89 LEU MD1 . 50474 1 106 . 1 . 1 89 89 LEU HD12 H 1 0.753 . . 1 . . . . . 89 LEU MD1 . 50474 1 107 . 1 . 1 89 89 LEU HD13 H 1 0.753 . . 1 . . . . . 89 LEU MD1 . 50474 1 108 . 1 . 1 89 89 LEU CD1 C 13 26.994 . . 1 . . . . . 89 LEU CD1 . 50474 1 109 . 1 . 1 90 90 ILE HD11 H 1 0.549 . . 1 . . . . . 90 ILE MD . 50474 1 110 . 1 . 1 90 90 ILE HD12 H 1 0.549 . . 1 . . . . . 90 ILE MD . 50474 1 111 . 1 . 1 90 90 ILE HD13 H 1 0.549 . . 1 . . . . . 90 ILE MD . 50474 1 112 . 1 . 1 90 90 ILE CD1 C 13 15.611 . . 1 . . . . . 90 ILE CD1 . 50474 1 113 . 1 . 1 93 93 LEU HD11 H 1 -1.004 . . 1 . . . . . 93 LEU MD1 . 50474 1 114 . 1 . 1 93 93 LEU HD12 H 1 -1.004 . . 1 . . . . . 93 LEU MD1 . 50474 1 115 . 1 . 1 93 93 LEU HD13 H 1 -1.004 . . 1 . . . . . 93 LEU MD1 . 50474 1 116 . 1 . 1 93 93 LEU CD1 C 13 23.691 . . 1 . . . . . 93 LEU CD1 . 50474 1 117 . 1 . 1 96 96 ILE HD11 H 1 0.800 . . 1 . . . . . 96 ILE MD . 50474 1 118 . 1 . 1 96 96 ILE HD12 H 1 0.800 . . 1 . . . . . 96 ILE MD . 50474 1 119 . 1 . 1 96 96 ILE HD13 H 1 0.800 . . 1 . . . . . 96 ILE MD . 50474 1 120 . 1 . 1 96 96 ILE CD1 C 13 12.509 . . 1 . . . . . 96 ILE CD1 . 50474 1 121 . 1 . 1 97 97 ALA HB1 H 1 1.414 . . 1 . . . . . 97 ALA MB . 50474 1 122 . 1 . 1 97 97 ALA HB2 H 1 1.414 . . 1 . . . . . 97 ALA MB . 50474 1 123 . 1 . 1 97 97 ALA HB3 H 1 1.414 . . 1 . . . . . 97 ALA MB . 50474 1 124 . 1 . 1 97 97 ALA CB C 13 18.966 . . 1 . . . . . 97 ALA CB . 50474 1 125 . 1 . 1 103 103 ALA HB1 H 1 1.573 . . 1 . . . . . 103 ALA MB . 50474 1 126 . 1 . 1 103 103 ALA HB2 H 1 1.573 . . 1 . . . . . 103 ALA MB . 50474 1 127 . 1 . 1 103 103 ALA HB3 H 1 1.573 . . 1 . . . . . 103 ALA MB . 50474 1 128 . 1 . 1 103 103 ALA CB C 13 18.055 . . 1 . . . . . 103 ALA CB . 50474 1 129 . 1 . 1 105 105 MET HE1 H 1 2.013 . . 1 . . . . . 105 MET ME . 50474 1 130 . 1 . 1 105 105 MET HE2 H 1 2.013 . . 1 . . . . . 105 MET ME . 50474 1 131 . 1 . 1 105 105 MET HE3 H 1 2.013 . . 1 . . . . . 105 MET ME . 50474 1 132 . 1 . 1 105 105 MET CE C 13 16.493 . . 1 . . . . . 105 MET CE . 50474 1 133 . 1 . 1 107 107 ALA HB1 H 1 1.270 . . 1 . . . . . 107 ALA MB . 50474 1 134 . 1 . 1 107 107 ALA HB2 H 1 1.270 . . 1 . . . . . 107 ALA MB . 50474 1 135 . 1 . 1 107 107 ALA HB3 H 1 1.270 . . 1 . . . . . 107 ALA MB . 50474 1 136 . 1 . 1 107 107 ALA CB C 13 16.850 . . 1 . . . . . 107 ALA CB . 50474 1 137 . 1 . 1 108 108 LEU HD11 H 1 0.366 . . 1 . . . . . 108 LEU MD1 . 50474 1 138 . 1 . 1 108 108 LEU HD12 H 1 0.366 . . 1 . . . . . 108 LEU MD1 . 50474 1 139 . 1 . 1 108 108 LEU HD13 H 1 0.366 . . 1 . . . . . 108 LEU MD1 . 50474 1 140 . 1 . 1 108 108 LEU CD1 C 13 24.823 . . 1 . . . . . 108 LEU CD1 . 50474 1 141 . 1 . 1 110 110 ALA HB1 H 1 1.463 . . 1 . . . . . 110 ALA MB . 50474 1 142 . 1 . 1 110 110 ALA HB2 H 1 1.463 . . 1 . . . . . 110 ALA MB . 50474 1 143 . 1 . 1 110 110 ALA HB3 H 1 1.463 . . 1 . . . . . 110 ALA MB . 50474 1 144 . 1 . 1 110 110 ALA CB C 13 18.755 . . 1 . . . . . 110 ALA CB . 50474 1 145 . 1 . 1 112 112 ALA HB1 H 1 1.182 . . 1 . . . . . 112 ALA MB . 50474 1 146 . 1 . 1 112 112 ALA HB2 H 1 1.182 . . 1 . . . . . 112 ALA MB . 50474 1 147 . 1 . 1 112 112 ALA HB3 H 1 1.182 . . 1 . . . . . 112 ALA MB . 50474 1 148 . 1 . 1 112 112 ALA CB C 13 19.160 . . 1 . . . . . 112 ALA CB . 50474 1 149 . 1 . 1 117 117 ILE HD11 H 1 0.658 . . 1 . . . . . 117 ILE MD . 50474 1 150 . 1 . 1 117 117 ILE HD12 H 1 0.658 . . 1 . . . . . 117 ILE MD . 50474 1 151 . 1 . 1 117 117 ILE HD13 H 1 0.658 . . 1 . . . . . 117 ILE MD . 50474 1 152 . 1 . 1 117 117 ILE CD1 C 13 14.286 . . 1 . . . . . 117 ILE CD1 . 50474 1 153 . 1 . 1 122 122 VAL HG11 H 1 0.849 . . 1 . . . . . 122 VAL MG1 . 50474 1 154 . 1 . 1 122 122 VAL HG12 H 1 0.849 . . 1 . . . . . 122 VAL MG1 . 50474 1 155 . 1 . 1 122 122 VAL HG13 H 1 0.849 . . 1 . . . . . 122 VAL MG1 . 50474 1 156 . 1 . 1 122 122 VAL CG1 C 13 22.345 . . 1 . . . . . 122 VAL CG1 . 50474 1 157 . 1 . 1 127 127 LEU HD11 H 1 -0.546 . . 1 . . . . . 127 LEU MD1 . 50474 1 158 . 1 . 1 127 127 LEU HD12 H 1 -0.546 . . 1 . . . . . 127 LEU MD1 . 50474 1 159 . 1 . 1 127 127 LEU HD13 H 1 -0.546 . . 1 . . . . . 127 LEU MD1 . 50474 1 160 . 1 . 1 127 127 LEU CD1 C 13 23.471 . . 1 . . . . . 127 LEU CD1 . 50474 1 161 . 1 . 1 129 129 LEU HD11 H 1 1.016 . . 1 . . . . . 129 LEU MD1 . 50474 1 162 . 1 . 1 129 129 LEU HD12 H 1 1.016 . . 1 . . . . . 129 LEU MD1 . 50474 1 163 . 1 . 1 129 129 LEU HD13 H 1 1.016 . . 1 . . . . . 129 LEU MD1 . 50474 1 164 . 1 . 1 129 129 LEU CD1 C 13 26.189 . . 1 . . . . . 129 LEU CD1 . 50474 1 165 . 1 . 1 130 130 VAL HG11 H 1 0.409 . . 1 . . . . . 130 VAL MG1 . 50474 1 166 . 1 . 1 130 130 VAL HG12 H 1 0.409 . . 1 . . . . . 130 VAL MG1 . 50474 1 167 . 1 . 1 130 130 VAL HG13 H 1 0.409 . . 1 . . . . . 130 VAL MG1 . 50474 1 168 . 1 . 1 130 130 VAL CG1 C 13 21.750 . . 1 . . . . . 130 VAL CG1 . 50474 1 169 . 1 . 1 131 131 ALA HB1 H 1 1.017 . . 1 . . . . . 131 ALA MB . 50474 1 170 . 1 . 1 131 131 ALA HB2 H 1 1.017 . . 1 . . . . . 131 ALA MB . 50474 1 171 . 1 . 1 131 131 ALA HB3 H 1 1.017 . . 1 . . . . . 131 ALA MB . 50474 1 172 . 1 . 1 131 131 ALA CB C 13 21.771 . . 1 . . . . . 131 ALA CB . 50474 1 173 . 1 . 1 134 134 VAL HG11 H 1 1.236 . . 1 . . . . . 134 VAL MG1 . 50474 1 174 . 1 . 1 134 134 VAL HG12 H 1 1.236 . . 1 . . . . . 134 VAL MG1 . 50474 1 175 . 1 . 1 134 134 VAL HG13 H 1 1.236 . . 1 . . . . . 134 VAL MG1 . 50474 1 176 . 1 . 1 134 134 VAL CG1 C 13 20.726 . . 1 . . . . . 134 VAL CG1 . 50474 1 177 . 1 . 1 136 136 VAL HG11 H 1 0.397 . . 1 . . . . . 136 VAL MG1 . 50474 1 178 . 1 . 1 136 136 VAL HG12 H 1 0.397 . . 1 . . . . . 136 VAL MG1 . 50474 1 179 . 1 . 1 136 136 VAL HG13 H 1 0.397 . . 1 . . . . . 136 VAL MG1 . 50474 1 180 . 1 . 1 136 136 VAL CG1 C 13 21.222 . . 1 . . . . . 136 VAL CG1 . 50474 1 181 . 1 . 1 137 137 ILE HD11 H 1 0.786 . . 1 . . . . . 137 ILE MD . 50474 1 182 . 1 . 1 137 137 ILE HD12 H 1 0.786 . . 1 . . . . . 137 ILE MD . 50474 1 183 . 1 . 1 137 137 ILE HD13 H 1 0.786 . . 1 . . . . . 137 ILE MD . 50474 1 184 . 1 . 1 137 137 ILE CD1 C 13 14.801 . . 1 . . . . . 137 ILE CD1 . 50474 1 185 . 1 . 1 147 147 ILE HD11 H 1 0.817 . . 1 . . . . . 147 ILE MD . 50474 1 186 . 1 . 1 147 147 ILE HD12 H 1 0.817 . . 1 . . . . . 147 ILE MD . 50474 1 187 . 1 . 1 147 147 ILE HD13 H 1 0.817 . . 1 . . . . . 147 ILE MD . 50474 1 188 . 1 . 1 147 147 ILE CD1 C 13 15.233 . . 1 . . . . . 147 ILE CD1 . 50474 1 189 . 1 . 1 152 152 ALA HB1 H 1 1.186 . . 1 . . . . . 152 ALA MB . 50474 1 190 . 1 . 1 152 152 ALA HB2 H 1 1.186 . . 1 . . . . . 152 ALA MB . 50474 1 191 . 1 . 1 152 152 ALA HB3 H 1 1.186 . . 1 . . . . . 152 ALA MB . 50474 1 192 . 1 . 1 152 152 ALA CB C 13 16.743 . . 1 . . . . . 152 ALA CB . 50474 1 193 . 1 . 1 158 158 VAL HG11 H 1 1.036 . . 1 . . . . . 158 VAL MG1 . 50474 1 194 . 1 . 1 158 158 VAL HG12 H 1 1.036 . . 1 . . . . . 158 VAL MG1 . 50474 1 195 . 1 . 1 158 158 VAL HG13 H 1 1.036 . . 1 . . . . . 158 VAL MG1 . 50474 1 196 . 1 . 1 158 158 VAL CG1 C 13 22.354 . . 1 . . . . . 158 VAL CG1 . 50474 1 197 . 1 . 1 160 160 LEU HD11 H 1 0.575 . . 1 . . . . . 160 LEU MD1 . 50474 1 198 . 1 . 1 160 160 LEU HD12 H 1 0.575 . . 1 . . . . . 160 LEU MD1 . 50474 1 199 . 1 . 1 160 160 LEU HD13 H 1 0.575 . . 1 . . . . . 160 LEU MD1 . 50474 1 200 . 1 . 1 160 160 LEU CD1 C 13 23.200 . . 1 . . . . . 160 LEU CD1 . 50474 1 201 . 1 . 1 163 163 VAL HG11 H 1 0.849 . . 1 . . . . . 163 VAL MG1 . 50474 1 202 . 1 . 1 163 163 VAL HG12 H 1 0.849 . . 1 . . . . . 163 VAL MG1 . 50474 1 203 . 1 . 1 163 163 VAL HG13 H 1 0.849 . . 1 . . . . . 163 VAL MG1 . 50474 1 204 . 1 . 1 163 163 VAL CG1 C 13 20.881 . . 1 . . . . . 163 VAL CG1 . 50474 1 205 . 1 . 1 167 167 ILE HD11 H 1 0.531 . . 1 . . . . . 167 ILE MD . 50474 1 206 . 1 . 1 167 167 ILE HD12 H 1 0.531 . . 1 . . . . . 167 ILE MD . 50474 1 207 . 1 . 1 167 167 ILE HD13 H 1 0.531 . . 1 . . . . . 167 ILE MD . 50474 1 208 . 1 . 1 167 167 ILE CD1 C 13 13.743 . . 1 . . . . . 167 ILE CD1 . 50474 1 209 . 1 . 1 172 172 ILE HD11 H 1 0.776 . . 1 . . . . . 172 ILE MD . 50474 1 210 . 1 . 1 172 172 ILE HD12 H 1 0.776 . . 1 . . . . . 172 ILE MD . 50474 1 211 . 1 . 1 172 172 ILE HD13 H 1 0.776 . . 1 . . . . . 172 ILE MD . 50474 1 212 . 1 . 1 172 172 ILE CD1 C 13 13.748 . . 1 . . . . . 172 ILE CD1 . 50474 1 213 . 1 . 1 173 173 LEU HD11 H 1 0.963 . . 1 . . . . . 173 LEU MD1 . 50474 1 214 . 1 . 1 173 173 LEU HD12 H 1 0.963 . . 1 . . . . . 173 LEU MD1 . 50474 1 215 . 1 . 1 173 173 LEU HD13 H 1 0.963 . . 1 . . . . . 173 LEU MD1 . 50474 1 216 . 1 . 1 173 173 LEU CD1 C 13 25.827 . . 1 . . . . . 173 LEU CD1 . 50474 1 217 . 1 . 1 175 175 LEU HD11 H 1 0.752 . . 1 . . . . . 175 LEU MD1 . 50474 1 218 . 1 . 1 175 175 LEU HD12 H 1 0.752 . . 1 . . . . . 175 LEU MD1 . 50474 1 219 . 1 . 1 175 175 LEU HD13 H 1 0.752 . . 1 . . . . . 175 LEU MD1 . 50474 1 220 . 1 . 1 175 175 LEU CD1 C 13 25.651 . . 1 . . . . . 175 LEU CD1 . 50474 1 221 . 1 . 1 177 177 LEU HD11 H 1 0.813 . . 1 . . . . . 177 LEU MD1 . 50474 1 222 . 1 . 1 177 177 LEU HD12 H 1 0.813 . . 1 . . . . . 177 LEU MD1 . 50474 1 223 . 1 . 1 177 177 LEU HD13 H 1 0.813 . . 1 . . . . . 177 LEU MD1 . 50474 1 224 . 1 . 1 177 177 LEU CD1 C 13 26.705 . . 1 . . . . . 177 LEU CD1 . 50474 1 225 . 1 . 1 182 182 LEU HD11 H 1 0.999 . . 1 . . . . . 182 LEU MD1 . 50474 1 226 . 1 . 1 182 182 LEU HD12 H 1 0.999 . . 1 . . . . . 182 LEU MD1 . 50474 1 227 . 1 . 1 182 182 LEU HD13 H 1 0.999 . . 1 . . . . . 182 LEU MD1 . 50474 1 228 . 1 . 1 182 182 LEU CD1 C 13 25.427 . . 1 . . . . . 182 LEU CD1 . 50474 1 229 . 1 . 1 185 185 LEU HD11 H 1 0.955 . . 1 . . . . . 185 LEU MD1 . 50474 1 230 . 1 . 1 185 185 LEU HD12 H 1 0.955 . . 1 . . . . . 185 LEU MD1 . 50474 1 231 . 1 . 1 185 185 LEU HD13 H 1 0.955 . . 1 . . . . . 185 LEU MD1 . 50474 1 232 . 1 . 1 185 185 LEU CD1 C 13 27.476 . . 1 . . . . . 185 LEU CD1 . 50474 1 233 . 1 . 1 190 190 ILE HD11 H 1 0.827 . . 1 . . . . . 190 ILE MD . 50474 1 234 . 1 . 1 190 190 ILE HD12 H 1 0.827 . . 1 . . . . . 190 ILE MD . 50474 1 235 . 1 . 1 190 190 ILE HD13 H 1 0.827 . . 1 . . . . . 190 ILE MD . 50474 1 236 . 1 . 1 190 190 ILE CD1 C 13 13.741 . . 1 . . . . . 190 ILE CD1 . 50474 1 237 . 1 . 1 193 193 VAL HG11 H 1 0.983 . . 1 . . . . . 193 VAL MG1 . 50474 1 238 . 1 . 1 193 193 VAL HG12 H 1 0.983 . . 1 . . . . . 193 VAL MG1 . 50474 1 239 . 1 . 1 193 193 VAL HG13 H 1 0.983 . . 1 . . . . . 193 VAL MG1 . 50474 1 240 . 1 . 1 193 193 VAL CG1 C 13 23.684 . . 1 . . . . . 193 VAL CG1 . 50474 1 241 . 1 . 1 194 194 ILE HD11 H 1 0.732 . . 1 . . . . . 194 ILE MD . 50474 1 242 . 1 . 1 194 194 ILE HD12 H 1 0.732 . . 1 . . . . . 194 ILE MD . 50474 1 243 . 1 . 1 194 194 ILE HD13 H 1 0.732 . . 1 . . . . . 194 ILE MD . 50474 1 244 . 1 . 1 194 194 ILE CD1 C 13 14.196 . . 1 . . . . . 194 ILE CD1 . 50474 1 245 . 1 . 1 201 201 VAL HG11 H 1 1.106 . . 1 . . . . . 201 VAL MG1 . 50474 1 246 . 1 . 1 201 201 VAL HG12 H 1 1.106 . . 1 . . . . . 201 VAL MG1 . 50474 1 247 . 1 . 1 201 201 VAL HG13 H 1 1.106 . . 1 . . . . . 201 VAL MG1 . 50474 1 248 . 1 . 1 201 201 VAL CG1 C 13 20.916 . . 1 . . . . . 201 VAL CG1 . 50474 1 249 . 1 . 1 202 202 ALA HB1 H 1 1.138 . . 1 . . . . . 202 ALA MB . 50474 1 250 . 1 . 1 202 202 ALA HB2 H 1 1.138 . . 1 . . . . . 202 ALA MB . 50474 1 251 . 1 . 1 202 202 ALA HB3 H 1 1.138 . . 1 . . . . . 202 ALA MB . 50474 1 252 . 1 . 1 202 202 ALA CB C 13 18.629 . . 1 . . . . . 202 ALA CB . 50474 1 253 . 1 . 1 205 205 ILE HD11 H 1 0.796 . . 1 . . . . . 205 ILE MD . 50474 1 254 . 1 . 1 205 205 ILE HD12 H 1 0.796 . . 1 . . . . . 205 ILE MD . 50474 1 255 . 1 . 1 205 205 ILE HD13 H 1 0.796 . . 1 . . . . . 205 ILE MD . 50474 1 256 . 1 . 1 205 205 ILE CD1 C 13 14.504 . . 1 . . . . . 205 ILE CD1 . 50474 1 257 . 1 . 1 244 244 LEU HD11 H 1 0.905 . . 1 . . . . . 244 LEU MD1 . 50474 1 258 . 1 . 1 244 244 LEU HD12 H 1 0.905 . . 1 . . . . . 244 LEU MD1 . 50474 1 259 . 1 . 1 244 244 LEU HD13 H 1 0.905 . . 1 . . . . . 244 LEU MD1 . 50474 1 260 . 1 . 1 244 244 LEU CD1 C 13 24.625 . . 1 . . . . . 244 LEU CD1 . 50474 1 261 . 1 . 1 267 267 ILE HD11 H 1 0.739 . . 1 . . . . . 267 ILE MD . 50474 1 262 . 1 . 1 267 267 ILE HD12 H 1 0.739 . . 1 . . . . . 267 ILE MD . 50474 1 263 . 1 . 1 267 267 ILE HD13 H 1 0.739 . . 1 . . . . . 267 ILE MD . 50474 1 264 . 1 . 1 267 267 ILE CD1 C 13 12.986 . . 1 . . . . . 267 ILE CD1 . 50474 1 265 . 1 . 1 276 276 LEU HD11 H 1 0.558 . . 1 . . . . . 276 LEU MD1 . 50474 1 266 . 1 . 1 276 276 LEU HD12 H 1 0.558 . . 1 . . . . . 276 LEU MD1 . 50474 1 267 . 1 . 1 276 276 LEU HD13 H 1 0.558 . . 1 . . . . . 276 LEU MD1 . 50474 1 268 . 1 . 1 276 276 LEU CD1 C 13 24.620 . . 1 . . . . . 276 LEU CD1 . 50474 1 269 . 1 . 1 284 284 ILE HD11 H 1 0.669 . . 1 . . . . . 284 ILE MD . 50474 1 270 . 1 . 1 284 284 ILE HD12 H 1 0.669 . . 1 . . . . . 284 ILE MD . 50474 1 271 . 1 . 1 284 284 ILE HD13 H 1 0.669 . . 1 . . . . . 284 ILE MD . 50474 1 272 . 1 . 1 284 284 ILE CD1 C 13 14.218 . . 1 . . . . . 284 ILE CD1 . 50474 1 273 . 1 . 1 296 296 ILE HD11 H 1 0.714 . . 1 . . . . . 296 ILE MD . 50474 1 274 . 1 . 1 296 296 ILE HD12 H 1 0.714 . . 1 . . . . . 296 ILE MD . 50474 1 275 . 1 . 1 296 296 ILE HD13 H 1 0.714 . . 1 . . . . . 296 ILE MD . 50474 1 276 . 1 . 1 296 296 ILE CD1 C 13 14.105 . . 1 . . . . . 296 ILE CD1 . 50474 1 277 . 1 . 1 304 304 LEU HD11 H 1 1.129 . . 1 . . . . . 304 LEU MD1 . 50474 1 278 . 1 . 1 304 304 LEU HD12 H 1 1.129 . . 1 . . . . . 304 LEU MD1 . 50474 1 279 . 1 . 1 304 304 LEU HD13 H 1 1.129 . . 1 . . . . . 304 LEU MD1 . 50474 1 280 . 1 . 1 304 304 LEU CD1 C 13 24.754 . . 1 . . . . . 304 LEU CD1 . 50474 1 281 . 1 . 1 306 306 VAL HG11 H 1 -0.164 . . 1 . . . . . 306 VAL MG1 . 50474 1 282 . 1 . 1 306 306 VAL HG12 H 1 -0.164 . . 1 . . . . . 306 VAL MG1 . 50474 1 283 . 1 . 1 306 306 VAL HG13 H 1 -0.164 . . 1 . . . . . 306 VAL MG1 . 50474 1 284 . 1 . 1 306 306 VAL CG1 C 13 18.499 . . 1 . . . . . 306 VAL CG1 . 50474 1 285 . 1 . 1 311 311 VAL HG11 H 1 0.837 . . 1 . . . . . 311 VAL MG1 . 50474 1 286 . 1 . 1 311 311 VAL HG12 H 1 0.837 . . 1 . . . . . 311 VAL MG1 . 50474 1 287 . 1 . 1 311 311 VAL HG13 H 1 0.837 . . 1 . . . . . 311 VAL MG1 . 50474 1 288 . 1 . 1 311 311 VAL CG1 C 13 20.741 . . 1 . . . . . 311 VAL CG1 . 50474 1 289 . 1 . 1 315 315 LEU HD11 H 1 0.959 . . 1 . . . . . 315 LEU MD1 . 50474 1 290 . 1 . 1 315 315 LEU HD12 H 1 0.959 . . 1 . . . . . 315 LEU MD1 . 50474 1 291 . 1 . 1 315 315 LEU HD13 H 1 0.959 . . 1 . . . . . 315 LEU MD1 . 50474 1 292 . 1 . 1 315 315 LEU CD1 C 13 25.925 . . 1 . . . . . 315 LEU CD1 . 50474 1 293 . 1 . 1 320 320 ILE HD11 H 1 0.342 . . 1 . . . . . 320 ILE MD . 50474 1 294 . 1 . 1 320 320 ILE HD12 H 1 0.342 . . 1 . . . . . 320 ILE MD . 50474 1 295 . 1 . 1 320 320 ILE HD13 H 1 0.342 . . 1 . . . . . 320 ILE MD . 50474 1 296 . 1 . 1 320 320 ILE CD1 C 13 14.317 . . 1 . . . . . 320 ILE CD1 . 50474 1 297 . 1 . 1 321 321 LEU HD11 H 1 0.870 . . 1 . . . . . 321 LEU MD1 . 50474 1 298 . 1 . 1 321 321 LEU HD12 H 1 0.870 . . 1 . . . . . 321 LEU MD1 . 50474 1 299 . 1 . 1 321 321 LEU HD13 H 1 0.870 . . 1 . . . . . 321 LEU MD1 . 50474 1 300 . 1 . 1 321 321 LEU CD1 C 13 27.200 . . 1 . . . . . 321 LEU CD1 . 50474 1 301 . 1 . 1 323 323 ILE HD11 H 1 0.952 . . 1 . . . . . 323 ILE MD . 50474 1 302 . 1 . 1 323 323 ILE HD12 H 1 0.952 . . 1 . . . . . 323 ILE MD . 50474 1 303 . 1 . 1 323 323 ILE HD13 H 1 0.952 . . 1 . . . . . 323 ILE MD . 50474 1 304 . 1 . 1 323 323 ILE CD1 C 13 13.774 . . 1 . . . . . 323 ILE CD1 . 50474 1 305 . 1 . 1 327 327 ALA HB1 H 1 1.228 . . 1 . . . . . 327 ALA MB . 50474 1 306 . 1 . 1 327 327 ALA HB2 H 1 1.228 . . 1 . . . . . 327 ALA MB . 50474 1 307 . 1 . 1 327 327 ALA HB3 H 1 1.228 . . 1 . . . . . 327 ALA MB . 50474 1 308 . 1 . 1 327 327 ALA CB C 13 17.679 . . 1 . . . . . 327 ALA CB . 50474 1 309 . 1 . 1 331 331 LEU HD11 H 1 0.806 . . 1 . . . . . 331 LEU MD1 . 50474 1 310 . 1 . 1 331 331 LEU HD12 H 1 0.806 . . 1 . . . . . 331 LEU MD1 . 50474 1 311 . 1 . 1 331 331 LEU HD13 H 1 0.806 . . 1 . . . . . 331 LEU MD1 . 50474 1 312 . 1 . 1 331 331 LEU CD1 C 13 24.371 . . 1 . . . . . 331 LEU CD1 . 50474 1 313 . 1 . 1 341 341 ILE HD11 H 1 0.424 . . 1 . . . . . 341 ILE MD . 50474 1 314 . 1 . 1 341 341 ILE HD12 H 1 0.424 . . 1 . . . . . 341 ILE MD . 50474 1 315 . 1 . 1 341 341 ILE HD13 H 1 0.424 . . 1 . . . . . 341 ILE MD . 50474 1 316 . 1 . 1 341 341 ILE CD1 C 13 11.323 . . 1 . . . . . 341 ILE CD1 . 50474 1 317 . 1 . 1 343 343 LEU HD11 H 1 0.688 . . 1 . . . . . 343 LEU MD1 . 50474 1 318 . 1 . 1 343 343 LEU HD12 H 1 0.688 . . 1 . . . . . 343 LEU MD1 . 50474 1 319 . 1 . 1 343 343 LEU HD13 H 1 0.688 . . 1 . . . . . 343 LEU MD1 . 50474 1 320 . 1 . 1 343 343 LEU CD1 C 13 22.836 . . 1 . . . . . 343 LEU CD1 . 50474 1 321 . 1 . 1 345 345 VAL HG11 H 1 0.975 . . 1 . . . . . 345 VAL MG1 . 50474 1 322 . 1 . 1 345 345 VAL HG12 H 1 0.975 . . 1 . . . . . 345 VAL MG1 . 50474 1 323 . 1 . 1 345 345 VAL HG13 H 1 0.975 . . 1 . . . . . 345 VAL MG1 . 50474 1 324 . 1 . 1 345 345 VAL CG1 C 13 21.069 . . 1 . . . . . 345 VAL CG1 . 50474 1 325 . 1 . 1 348 348 VAL HG11 H 1 0.849 . . 1 . . . . . 348 VAL MG1 . 50474 1 326 . 1 . 1 348 348 VAL HG12 H 1 0.849 . . 1 . . . . . 348 VAL MG1 . 50474 1 327 . 1 . 1 348 348 VAL HG13 H 1 0.849 . . 1 . . . . . 348 VAL MG1 . 50474 1 328 . 1 . 1 348 348 VAL CG1 C 13 21.274 . . 1 . . . . . 348 VAL CG1 . 50474 1 329 . 1 . 1 350 350 ILE HD11 H 1 0.624 . . 1 . . . . . 350 ILE MD . 50474 1 330 . 1 . 1 350 350 ILE HD12 H 1 0.624 . . 1 . . . . . 350 ILE MD . 50474 1 331 . 1 . 1 350 350 ILE HD13 H 1 0.624 . . 1 . . . . . 350 ILE MD . 50474 1 332 . 1 . 1 350 350 ILE CD1 C 13 9.448 . . 1 . . . . . 350 ILE CD1 . 50474 1 333 . 1 . 1 354 354 ALA HB1 H 1 1.149 . . 1 . . . . . 354 ALA MB . 50474 1 334 . 1 . 1 354 354 ALA HB2 H 1 1.149 . . 1 . . . . . 354 ALA MB . 50474 1 335 . 1 . 1 354 354 ALA HB3 H 1 1.149 . . 1 . . . . . 354 ALA MB . 50474 1 336 . 1 . 1 354 354 ALA CB C 13 17.791 . . 1 . . . . . 354 ALA CB . 50474 1 337 . 1 . 1 357 357 LEU HD11 H 1 0.703 . . 1 . . . . . 357 LEU MD1 . 50474 1 338 . 1 . 1 357 357 LEU HD12 H 1 0.703 . . 1 . . . . . 357 LEU MD1 . 50474 1 339 . 1 . 1 357 357 LEU HD13 H 1 0.703 . . 1 . . . . . 357 LEU MD1 . 50474 1 340 . 1 . 1 357 357 LEU CD1 C 13 24.820 . . 1 . . . . . 357 LEU CD1 . 50474 1 341 . 1 . 1 358 358 ILE HD11 H 1 0.393 . . 1 . . . . . 358 ILE MD . 50474 1 342 . 1 . 1 358 358 ILE HD12 H 1 0.393 . . 1 . . . . . 358 ILE MD . 50474 1 343 . 1 . 1 358 358 ILE HD13 H 1 0.393 . . 1 . . . . . 358 ILE MD . 50474 1 344 . 1 . 1 358 358 ILE CD1 C 13 13.402 . . 1 . . . . . 358 ILE CD1 . 50474 1 345 . 1 . 1 362 362 LEU HD11 H 1 0.280 . . 1 . . . . . 362 LEU MD1 . 50474 1 346 . 1 . 1 362 362 LEU HD12 H 1 0.280 . . 1 . . . . . 362 LEU MD1 . 50474 1 347 . 1 . 1 362 362 LEU HD13 H 1 0.280 . . 1 . . . . . 362 LEU MD1 . 50474 1 348 . 1 . 1 362 362 LEU CD1 C 13 25.764 . . 1 . . . . . 362 LEU CD1 . 50474 1 349 . 1 . 1 365 365 VAL HG11 H 1 0.681 . . 1 . . . . . 365 VAL MG1 . 50474 1 350 . 1 . 1 365 365 VAL HG12 H 1 0.681 . . 1 . . . . . 365 VAL MG1 . 50474 1 351 . 1 . 1 365 365 VAL HG13 H 1 0.681 . . 1 . . . . . 365 VAL MG1 . 50474 1 352 . 1 . 1 365 365 VAL CG1 C 13 21.967 . . 1 . . . . . 365 VAL CG1 . 50474 1 353 . 1 . 1 368 368 VAL HG11 H 1 0.487 . . 1 . . . . . 368 VAL MG1 . 50474 1 354 . 1 . 1 368 368 VAL HG12 H 1 0.487 . . 1 . . . . . 368 VAL MG1 . 50474 1 355 . 1 . 1 368 368 VAL HG13 H 1 0.487 . . 1 . . . . . 368 VAL MG1 . 50474 1 356 . 1 . 1 368 368 VAL CG1 C 13 20.571 . . 1 . . . . . 368 VAL CG1 . 50474 1 357 . 1 . 1 369 369 VAL HG11 H 1 0.635 . . 1 . . . . . 369 VAL MG1 . 50474 1 358 . 1 . 1 369 369 VAL HG12 H 1 0.635 . . 1 . . . . . 369 VAL MG1 . 50474 1 359 . 1 . 1 369 369 VAL HG13 H 1 0.635 . . 1 . . . . . 369 VAL MG1 . 50474 1 360 . 1 . 1 369 369 VAL CG1 C 13 20.421 . . 1 . . . . . 369 VAL CG1 . 50474 1 361 . 1 . 1 374 374 LEU HD11 H 1 0.792 . . 1 . . . . . 374 LEU MD1 . 50474 1 362 . 1 . 1 374 374 LEU HD12 H 1 0.792 . . 1 . . . . . 374 LEU MD1 . 50474 1 363 . 1 . 1 374 374 LEU HD13 H 1 0.792 . . 1 . . . . . 374 LEU MD1 . 50474 1 364 . 1 . 1 374 374 LEU CD1 C 13 25.438 . . 1 . . . . . 374 LEU CD1 . 50474 1 365 . 1 . 1 376 376 LEU HD11 H 1 0.821 . . 1 . . . . . 376 LEU MD1 . 50474 1 366 . 1 . 1 376 376 LEU HD12 H 1 0.821 . . 1 . . . . . 376 LEU MD1 . 50474 1 367 . 1 . 1 376 376 LEU HD13 H 1 0.821 . . 1 . . . . . 376 LEU MD1 . 50474 1 368 . 1 . 1 376 376 LEU CD1 C 13 24.838 . . 1 . . . . . 376 LEU CD1 . 50474 1 369 . 1 . 1 378 378 LEU HD11 H 1 0.875 . . 1 . . . . . 378 LEU MD1 . 50474 1 370 . 1 . 1 378 378 LEU HD12 H 1 0.875 . . 1 . . . . . 378 LEU MD1 . 50474 1 371 . 1 . 1 378 378 LEU HD13 H 1 0.875 . . 1 . . . . . 378 LEU MD1 . 50474 1 372 . 1 . 1 378 378 LEU CD1 C 13 25.048 . . 1 . . . . . 378 LEU CD1 . 50474 1 373 . 1 . 1 382 382 MET HE1 H 1 2.100 . . 1 . . . . . 382 MET ME . 50474 1 374 . 1 . 1 382 382 MET HE2 H 1 2.100 . . 1 . . . . . 382 MET ME . 50474 1 375 . 1 . 1 382 382 MET HE3 H 1 2.100 . . 1 . . . . . 382 MET ME . 50474 1 376 . 1 . 1 382 382 MET CE C 13 17.163 . . 1 . . . . . 382 MET CE . 50474 1 377 . 1 . 1 383 383 LEU HD11 H 1 0.816 . . 1 . . . . . 383 LEU MD1 . 50474 1 378 . 1 . 1 383 383 LEU HD12 H 1 0.816 . . 1 . . . . . 383 LEU MD1 . 50474 1 379 . 1 . 1 383 383 LEU HD13 H 1 0.816 . . 1 . . . . . 383 LEU MD1 . 50474 1 380 . 1 . 1 383 383 LEU CD1 C 13 25.563 . . 1 . . . . . 383 LEU CD1 . 50474 1 381 . 1 . 1 388 388 ILE HD11 H 1 0.821 . . 1 . . . . . 388 ILE MD . 50474 1 382 . 1 . 1 388 388 ILE HD12 H 1 0.821 . . 1 . . . . . 388 ILE MD . 50474 1 383 . 1 . 1 388 388 ILE HD13 H 1 0.821 . . 1 . . . . . 388 ILE MD . 50474 1 384 . 1 . 1 388 388 ILE CD1 C 13 12.741 . . 1 . . . . . 388 ILE CD1 . 50474 1 385 . 1 . 1 389 389 MET HE1 H 1 1.827 . . 1 . . . . . 389 MET ME . 50474 1 386 . 1 . 1 389 389 MET HE2 H 1 1.827 . . 1 . . . . . 389 MET ME . 50474 1 387 . 1 . 1 389 389 MET HE3 H 1 1.827 . . 1 . . . . . 389 MET ME . 50474 1 388 . 1 . 1 389 389 MET CE C 13 17.336 . . 1 . . . . . 389 MET CE . 50474 1 389 . 1 . 1 391 391 VAL HG11 H 1 1.018 . . 1 . . . . . 391 VAL MG1 . 50474 1 390 . 1 . 1 391 391 VAL HG12 H 1 1.018 . . 1 . . . . . 391 VAL MG1 . 50474 1 391 . 1 . 1 391 391 VAL HG13 H 1 1.018 . . 1 . . . . . 391 VAL MG1 . 50474 1 392 . 1 . 1 391 391 VAL CG1 C 13 22.347 . . 1 . . . . . 391 VAL CG1 . 50474 1 393 . 1 . 1 392 392 ILE HD11 H 1 0.458 . . 1 . . . . . 392 ILE MD . 50474 1 394 . 1 . 1 392 392 ILE HD12 H 1 0.458 . . 1 . . . . . 392 ILE MD . 50474 1 395 . 1 . 1 392 392 ILE HD13 H 1 0.458 . . 1 . . . . . 392 ILE MD . 50474 1 396 . 1 . 1 392 392 ILE CD1 C 13 12.567 . . 1 . . . . . 392 ILE CD1 . 50474 1 397 . 1 . 1 396 396 ILE HD11 H 1 0.641 . . 1 . . . . . 396 ILE MD . 50474 1 398 . 1 . 1 396 396 ILE HD12 H 1 0.641 . . 1 . . . . . 396 ILE MD . 50474 1 399 . 1 . 1 396 396 ILE HD13 H 1 0.641 . . 1 . . . . . 396 ILE MD . 50474 1 400 . 1 . 1 396 396 ILE CD1 C 13 14.213 . . 1 . . . . . 396 ILE CD1 . 50474 1 401 . 1 . 1 397 397 VAL HG11 H 1 1.017 . . 1 . . . . . 397 VAL MG1 . 50474 1 402 . 1 . 1 397 397 VAL HG12 H 1 1.017 . . 1 . . . . . 397 VAL MG1 . 50474 1 403 . 1 . 1 397 397 VAL HG13 H 1 1.017 . . 1 . . . . . 397 VAL MG1 . 50474 1 404 . 1 . 1 397 397 VAL CG1 C 13 21.298 . . 1 . . . . . 397 VAL CG1 . 50474 1 405 . 1 . 1 400 400 LEU HD11 H 1 0.647 . . 1 . . . . . 400 LEU MD1 . 50474 1 406 . 1 . 1 400 400 LEU HD12 H 1 0.647 . . 1 . . . . . 400 LEU MD1 . 50474 1 407 . 1 . 1 400 400 LEU HD13 H 1 0.647 . . 1 . . . . . 400 LEU MD1 . 50474 1 408 . 1 . 1 400 400 LEU CD1 C 13 27.615 . . 1 . . . . . 400 LEU CD1 . 50474 1 409 . 1 . 1 401 401 ILE HD11 H 1 0.868 . . 1 . . . . . 401 ILE MD . 50474 1 410 . 1 . 1 401 401 ILE HD12 H 1 0.868 . . 1 . . . . . 401 ILE MD . 50474 1 411 . 1 . 1 401 401 ILE HD13 H 1 0.868 . . 1 . . . . . 401 ILE MD . 50474 1 412 . 1 . 1 401 401 ILE CD1 C 13 13.533 . . 1 . . . . . 401 ILE CD1 . 50474 1 413 . 1 . 1 403 403 ALA HB1 H 1 1.352 . . 1 . . . . . 403 ALA MB . 50474 1 414 . 1 . 1 403 403 ALA HB2 H 1 1.352 . . 1 . . . . . 403 ALA MB . 50474 1 415 . 1 . 1 403 403 ALA HB3 H 1 1.352 . . 1 . . . . . 403 ALA MB . 50474 1 416 . 1 . 1 403 403 ALA CB C 13 17.303 . . 1 . . . . . 403 ALA CB . 50474 1 417 . 1 . 1 407 407 ILE HD11 H 1 0.159 . . 1 . . . . . 407 ILE MD . 50474 1 418 . 1 . 1 407 407 ILE HD12 H 1 0.159 . . 1 . . . . . 407 ILE MD . 50474 1 419 . 1 . 1 407 407 ILE HD13 H 1 0.159 . . 1 . . . . . 407 ILE MD . 50474 1 420 . 1 . 1 407 407 ILE CD1 C 13 13.689 . . 1 . . . . . 407 ILE CD1 . 50474 1 421 . 1 . 1 408 408 ALA HB1 H 1 1.007 . . 1 . . . . . 408 ALA MB . 50474 1 422 . 1 . 1 408 408 ALA HB2 H 1 1.007 . . 1 . . . . . 408 ALA MB . 50474 1 423 . 1 . 1 408 408 ALA HB3 H 1 1.007 . . 1 . . . . . 408 ALA MB . 50474 1 424 . 1 . 1 408 408 ALA CB C 13 17.287 . . 1 . . . . . 408 ALA CB . 50474 1 425 . 1 . 1 420 420 ALA HB1 H 1 0.294 . . 1 . . . . . 420 ALA MB . 50474 1 426 . 1 . 1 420 420 ALA HB2 H 1 0.294 . . 1 . . . . . 420 ALA MB . 50474 1 427 . 1 . 1 420 420 ALA HB3 H 1 0.294 . . 1 . . . . . 420 ALA MB . 50474 1 428 . 1 . 1 420 420 ALA CB C 13 18.724 . . 1 . . . . . 420 ALA CB . 50474 1 429 . 1 . 1 425 425 ILE HD11 H 1 0.725 . . 1 . . . . . 425 ILE MD . 50474 1 430 . 1 . 1 425 425 ILE HD12 H 1 0.725 . . 1 . . . . . 425 ILE MD . 50474 1 431 . 1 . 1 425 425 ILE HD13 H 1 0.725 . . 1 . . . . . 425 ILE MD . 50474 1 432 . 1 . 1 425 425 ILE CD1 C 13 11.099 . . 1 . . . . . 425 ILE CD1 . 50474 1 433 . 1 . 1 427 427 LEU HD11 H 1 0.962 . . 1 . . . . . 427 LEU MD1 . 50474 1 434 . 1 . 1 427 427 LEU HD12 H 1 0.962 . . 1 . . . . . 427 LEU MD1 . 50474 1 435 . 1 . 1 427 427 LEU HD13 H 1 0.962 . . 1 . . . . . 427 LEU MD1 . 50474 1 436 . 1 . 1 427 427 LEU CD1 C 13 24.912 . . 1 . . . . . 427 LEU CD1 . 50474 1 437 . 1 . 1 429 429 VAL HG11 H 1 0.877 . . 1 . . . . . 429 VAL MG1 . 50474 1 438 . 1 . 1 429 429 VAL HG12 H 1 0.877 . . 1 . . . . . 429 VAL MG1 . 50474 1 439 . 1 . 1 429 429 VAL HG13 H 1 0.877 . . 1 . . . . . 429 VAL MG1 . 50474 1 440 . 1 . 1 429 429 VAL CG1 C 13 22.718 . . 1 . . . . . 429 VAL CG1 . 50474 1 441 . 1 . 1 437 437 ALA HB1 H 1 1.416 . . 1 . . . . . 437 ALA MB . 50474 1 442 . 1 . 1 437 437 ALA HB2 H 1 1.416 . . 1 . . . . . 437 ALA MB . 50474 1 443 . 1 . 1 437 437 ALA HB3 H 1 1.416 . . 1 . . . . . 437 ALA MB . 50474 1 444 . 1 . 1 437 437 ALA CB C 13 17.428 . . 1 . . . . . 437 ALA CB . 50474 1 445 . 1 . 1 438 438 ALA HB1 H 1 1.533 . . 1 . . . . . 438 ALA MB . 50474 1 446 . 1 . 1 438 438 ALA HB2 H 1 1.533 . . 1 . . . . . 438 ALA MB . 50474 1 447 . 1 . 1 438 438 ALA HB3 H 1 1.533 . . 1 . . . . . 438 ALA MB . 50474 1 448 . 1 . 1 438 438 ALA CB C 13 18.538 . . 1 . . . . . 438 ALA CB . 50474 1 449 . 1 . 1 439 439 LEU HD11 H 1 0.389 . . 1 . . . . . 439 LEU MD1 . 50474 1 450 . 1 . 1 439 439 LEU HD12 H 1 0.389 . . 1 . . . . . 439 LEU MD1 . 50474 1 451 . 1 . 1 439 439 LEU HD13 H 1 0.389 . . 1 . . . . . 439 LEU MD1 . 50474 1 452 . 1 . 1 439 439 LEU CD1 C 13 25.042 . . 1 . . . . . 439 LEU CD1 . 50474 1 453 . 1 . 1 440 440 ALA HB1 H 1 1.565 . . 1 . . . . . 440 ALA MB . 50474 1 454 . 1 . 1 440 440 ALA HB2 H 1 1.565 . . 1 . . . . . 440 ALA MB . 50474 1 455 . 1 . 1 440 440 ALA HB3 H 1 1.565 . . 1 . . . . . 440 ALA MB . 50474 1 456 . 1 . 1 440 440 ALA CB C 13 18.543 . . 1 . . . . . 440 ALA CB . 50474 1 457 . 1 . 1 442 442 LEU HD11 H 1 1.253 . . 1 . . . . . 442 LEU MD1 . 50474 1 458 . 1 . 1 442 442 LEU HD12 H 1 1.253 . . 1 . . . . . 442 LEU MD1 . 50474 1 459 . 1 . 1 442 442 LEU HD13 H 1 1.253 . . 1 . . . . . 442 LEU MD1 . 50474 1 460 . 1 . 1 442 442 LEU CD1 C 13 27.643 . . 1 . . . . . 442 LEU CD1 . 50474 1 461 . 1 . 1 443 443 LEU HD11 H 1 1.162 . . 1 . . . . . 443 LEU MD1 . 50474 1 462 . 1 . 1 443 443 LEU HD12 H 1 1.162 . . 1 . . . . . 443 LEU MD1 . 50474 1 463 . 1 . 1 443 443 LEU HD13 H 1 1.162 . . 1 . . . . . 443 LEU MD1 . 50474 1 464 . 1 . 1 443 443 LEU CD1 C 13 24.704 . . 1 . . . . . 443 LEU CD1 . 50474 1 465 . 1 . 1 451 451 VAL HG11 H 1 1.042 . . 1 . . . . . 451 VAL MG1 . 50474 1 466 . 1 . 1 451 451 VAL HG12 H 1 1.042 . . 1 . . . . . 451 VAL MG1 . 50474 1 467 . 1 . 1 451 451 VAL HG13 H 1 1.042 . . 1 . . . . . 451 VAL MG1 . 50474 1 468 . 1 . 1 451 451 VAL CG1 C 13 21.522 . . 1 . . . . . 451 VAL CG1 . 50474 1 469 . 1 . 1 454 454 LEU HD11 H 1 0.770 . . 1 . . . . . 454 LEU MD1 . 50474 1 470 . 1 . 1 454 454 LEU HD12 H 1 0.770 . . 1 . . . . . 454 LEU MD1 . 50474 1 471 . 1 . 1 454 454 LEU HD13 H 1 0.770 . . 1 . . . . . 454 LEU MD1 . 50474 1 472 . 1 . 1 454 454 LEU CD1 C 13 24.928 . . 1 . . . . . 454 LEU CD1 . 50474 1 473 . 1 . 1 457 457 LEU HD11 H 1 0.320 . . 1 . . . . . 457 LEU MD1 . 50474 1 474 . 1 . 1 457 457 LEU HD12 H 1 0.320 . . 1 . . . . . 457 LEU MD1 . 50474 1 475 . 1 . 1 457 457 LEU HD13 H 1 0.320 . . 1 . . . . . 457 LEU MD1 . 50474 1 476 . 1 . 1 457 457 LEU CD1 C 13 24.277 . . 1 . . . . . 457 LEU CD1 . 50474 1 477 . 1 . 1 461 461 VAL HG11 H 1 1.065 . . 1 . . . . . 461 VAL MG1 . 50474 1 478 . 1 . 1 461 461 VAL HG12 H 1 1.065 . . 1 . . . . . 461 VAL MG1 . 50474 1 479 . 1 . 1 461 461 VAL HG13 H 1 1.065 . . 1 . . . . . 461 VAL MG1 . 50474 1 480 . 1 . 1 461 461 VAL CG1 C 13 21.568 . . 1 . . . . . 461 VAL CG1 . 50474 1 481 . 1 . 1 464 464 MET HE1 H 1 1.704 . . 1 . . . . . 464 MET ME . 50474 1 482 . 1 . 1 464 464 MET HE2 H 1 1.704 . . 1 . . . . . 464 MET ME . 50474 1 483 . 1 . 1 464 464 MET HE3 H 1 1.704 . . 1 . . . . . 464 MET ME . 50474 1 484 . 1 . 1 464 464 MET CE C 13 15.867 . . 1 . . . . . 464 MET CE . 50474 1 485 . 1 . 1 471 471 ILE HD11 H 1 0.666 . . 1 . . . . . 471 ILE MD . 50474 1 486 . 1 . 1 471 471 ILE HD12 H 1 0.666 . . 1 . . . . . 471 ILE MD . 50474 1 487 . 1 . 1 471 471 ILE HD13 H 1 0.666 . . 1 . . . . . 471 ILE MD . 50474 1 488 . 1 . 1 471 471 ILE CD1 C 13 14.665 . . 1 . . . . . 471 ILE CD1 . 50474 1 489 . 1 . 1 474 474 ILE HD11 H 1 0.917 . . 1 . . . . . 474 ILE MD . 50474 1 490 . 1 . 1 474 474 ILE HD12 H 1 0.917 . . 1 . . . . . 474 ILE MD . 50474 1 491 . 1 . 1 474 474 ILE HD13 H 1 0.917 . . 1 . . . . . 474 ILE MD . 50474 1 492 . 1 . 1 474 474 ILE CD1 C 13 14.327 . . 1 . . . . . 474 ILE CD1 . 50474 1 493 . 1 . 1 479 479 LEU HD11 H 1 0.704 . . 1 . . . . . 479 LEU MD1 . 50474 1 494 . 1 . 1 479 479 LEU HD12 H 1 0.704 . . 1 . . . . . 479 LEU MD1 . 50474 1 495 . 1 . 1 479 479 LEU HD13 H 1 0.704 . . 1 . . . . . 479 LEU MD1 . 50474 1 496 . 1 . 1 479 479 LEU CD1 C 13 24.267 . . 1 . . . . . 479 LEU CD1 . 50474 1 497 . 1 . 1 481 481 ALA HB1 H 1 1.444 . . 1 . . . . . 481 ALA MB . 50474 1 498 . 1 . 1 481 481 ALA HB2 H 1 1.444 . . 1 . . . . . 481 ALA MB . 50474 1 499 . 1 . 1 481 481 ALA HB3 H 1 1.444 . . 1 . . . . . 481 ALA MB . 50474 1 500 . 1 . 1 481 481 ALA CB C 13 19.088 . . 1 . . . . . 481 ALA CB . 50474 1 501 . 1 . 1 482 482 VAL HG11 H 1 0.683 . . 1 . . . . . 482 VAL MG1 . 50474 1 502 . 1 . 1 482 482 VAL HG12 H 1 0.683 . . 1 . . . . . 482 VAL MG1 . 50474 1 503 . 1 . 1 482 482 VAL HG13 H 1 0.683 . . 1 . . . . . 482 VAL MG1 . 50474 1 504 . 1 . 1 482 482 VAL CG1 C 13 21.571 . . 1 . . . . . 482 VAL CG1 . 50474 1 505 . 1 . 1 488 488 LEU HD11 H 1 1.137 . . 1 . . . . . 488 LEU MD1 . 50474 1 506 . 1 . 1 488 488 LEU HD12 H 1 1.137 . . 1 . . . . . 488 LEU MD1 . 50474 1 507 . 1 . 1 488 488 LEU HD13 H 1 1.137 . . 1 . . . . . 488 LEU MD1 . 50474 1 508 . 1 . 1 488 488 LEU CD1 C 13 25.782 . . 1 . . . . . 488 LEU CD1 . 50474 1 509 . 1 . 1 491 491 LEU HD11 H 1 0.380 . . 1 . . . . . 491 LEU MD1 . 50474 1 510 . 1 . 1 491 491 LEU HD12 H 1 0.380 . . 1 . . . . . 491 LEU MD1 . 50474 1 511 . 1 . 1 491 491 LEU HD13 H 1 0.380 . . 1 . . . . . 491 LEU MD1 . 50474 1 512 . 1 . 1 491 491 LEU CD1 C 13 24.892 . . 1 . . . . . 491 LEU CD1 . 50474 1 513 . 1 . 1 493 493 ALA HB1 H 1 1.431 . . 1 . . . . . 493 ALA MB . 50474 1 514 . 1 . 1 493 493 ALA HB2 H 1 1.431 . . 1 . . . . . 493 ALA MB . 50474 1 515 . 1 . 1 493 493 ALA HB3 H 1 1.431 . . 1 . . . . . 493 ALA MB . 50474 1 516 . 1 . 1 493 493 ALA CB C 13 17.871 . . 1 . . . . . 493 ALA CB . 50474 1 517 . 1 . 1 498 498 VAL HG11 H 1 0.795 . . 1 . . . . . 498 VAL MG1 . 50474 1 518 . 1 . 1 498 498 VAL HG12 H 1 0.795 . . 1 . . . . . 498 VAL MG1 . 50474 1 519 . 1 . 1 498 498 VAL HG13 H 1 0.795 . . 1 . . . . . 498 VAL MG1 . 50474 1 520 . 1 . 1 498 498 VAL CG1 C 13 21.478 . . 1 . . . . . 498 VAL CG1 . 50474 1 521 . 1 . 1 499 499 LEU HD11 H 1 0.229 . . 1 . . . . . 499 LEU MD1 . 50474 1 522 . 1 . 1 499 499 LEU HD12 H 1 0.229 . . 1 . . . . . 499 LEU MD1 . 50474 1 523 . 1 . 1 499 499 LEU HD13 H 1 0.229 . . 1 . . . . . 499 LEU MD1 . 50474 1 524 . 1 . 1 499 499 LEU CD1 C 13 26.140 . . 1 . . . . . 499 LEU CD1 . 50474 1 525 . 1 . 1 501 501 LEU HD11 H 1 -0.451 . . 1 . . . . . 501 LEU MD1 . 50474 1 526 . 1 . 1 501 501 LEU HD12 H 1 -0.451 . . 1 . . . . . 501 LEU MD1 . 50474 1 527 . 1 . 1 501 501 LEU HD13 H 1 -0.451 . . 1 . . . . . 501 LEU MD1 . 50474 1 528 . 1 . 1 501 501 LEU CD1 C 13 22.921 . . 1 . . . . . 501 LEU CD1 . 50474 1 529 . 1 . 1 505 505 ILE HD11 H 1 0.767 . . 1 . . . . . 505 ILE MD . 50474 1 530 . 1 . 1 505 505 ILE HD12 H 1 0.767 . . 1 . . . . . 505 ILE MD . 50474 1 531 . 1 . 1 505 505 ILE HD13 H 1 0.767 . . 1 . . . . . 505 ILE MD . 50474 1 532 . 1 . 1 505 505 ILE CD1 C 13 13.666 . . 1 . . . . . 505 ILE CD1 . 50474 1 533 . 1 . 1 509 509 ALA HB1 H 1 1.629 . . 1 . . . . . 509 ALA MB . 50474 1 534 . 1 . 1 509 509 ALA HB2 H 1 1.629 . . 1 . . . . . 509 ALA MB . 50474 1 535 . 1 . 1 509 509 ALA HB3 H 1 1.629 . . 1 . . . . . 509 ALA MB . 50474 1 536 . 1 . 1 509 509 ALA CB C 13 16.874 . . 1 . . . . . 509 ALA CB . 50474 1 537 . 1 . 1 513 513 LEU HD11 H 1 0.706 . . 1 . . . . . 513 LEU MD1 . 50474 1 538 . 1 . 1 513 513 LEU HD12 H 1 0.706 . . 1 . . . . . 513 LEU MD1 . 50474 1 539 . 1 . 1 513 513 LEU HD13 H 1 0.706 . . 1 . . . . . 513 LEU MD1 . 50474 1 540 . 1 . 1 513 513 LEU CD1 C 13 23.720 . . 1 . . . . . 513 LEU CD1 . 50474 1 541 . 1 . 1 521 521 LEU HD11 H 1 0.195 . . 1 . . . . . 521 LEU MD1 . 50474 1 542 . 1 . 1 521 521 LEU HD12 H 1 0.195 . . 1 . . . . . 521 LEU MD1 . 50474 1 543 . 1 . 1 521 521 LEU HD13 H 1 0.195 . . 1 . . . . . 521 LEU MD1 . 50474 1 544 . 1 . 1 521 521 LEU CD1 C 13 25.216 . . 1 . . . . . 521 LEU CD1 . 50474 1 545 . 1 . 1 522 522 VAL HG11 H 1 0.791 . . 1 . . . . . 522 VAL MG1 . 50474 1 546 . 1 . 1 522 522 VAL HG12 H 1 0.791 . . 1 . . . . . 522 VAL MG1 . 50474 1 547 . 1 . 1 522 522 VAL HG13 H 1 0.791 . . 1 . . . . . 522 VAL MG1 . 50474 1 548 . 1 . 1 522 522 VAL CG1 C 13 20.874 . . 1 . . . . . 522 VAL CG1 . 50474 1 549 . 1 . 1 524 524 ILE HD11 H 1 0.720 . . 1 . . . . . 524 ILE MD . 50474 1 550 . 1 . 1 524 524 ILE HD12 H 1 0.720 . . 1 . . . . . 524 ILE MD . 50474 1 551 . 1 . 1 524 524 ILE HD13 H 1 0.720 . . 1 . . . . . 524 ILE MD . 50474 1 552 . 1 . 1 524 524 ILE CD1 C 13 15.383 . . 1 . . . . . 524 ILE CD1 . 50474 1 553 . 1 . 1 538 538 ALA HB1 H 1 1.474 . . 1 . . . . . 538 ALA MB . 50474 1 554 . 1 . 1 538 538 ALA HB2 H 1 1.474 . . 1 . . . . . 538 ALA MB . 50474 1 555 . 1 . 1 538 538 ALA HB3 H 1 1.474 . . 1 . . . . . 538 ALA MB . 50474 1 556 . 1 . 1 538 538 ALA CB C 13 17.917 . . 1 . . . . . 538 ALA CB . 50474 1 557 . 1 . 1 544 544 ILE HD11 H 1 0.943 . . 1 . . . . . 544 ILE MD . 50474 1 558 . 1 . 1 544 544 ILE HD12 H 1 0.943 . . 1 . . . . . 544 ILE MD . 50474 1 559 . 1 . 1 544 544 ILE HD13 H 1 0.943 . . 1 . . . . . 544 ILE MD . 50474 1 560 . 1 . 1 544 544 ILE CD1 C 13 13.618 . . 1 . . . . . 544 ILE CD1 . 50474 1 561 . 1 . 1 553 553 ALA HB1 H 1 1.535 . . 1 . . . . . 553 ALA MB . 50474 1 562 . 1 . 1 553 553 ALA HB2 H 1 1.535 . . 1 . . . . . 553 ALA MB . 50474 1 563 . 1 . 1 553 553 ALA HB3 H 1 1.535 . . 1 . . . . . 553 ALA MB . 50474 1 564 . 1 . 1 553 553 ALA CB C 13 18.128 . . 1 . . . . . 553 ALA CB . 50474 1 565 . 1 . 1 554 554 LEU HD11 H 1 0.800 . . 1 . . . . . 554 LEU MD1 . 50474 1 566 . 1 . 1 554 554 LEU HD12 H 1 0.800 . . 1 . . . . . 554 LEU MD1 . 50474 1 567 . 1 . 1 554 554 LEU HD13 H 1 0.800 . . 1 . . . . . 554 LEU MD1 . 50474 1 568 . 1 . 1 554 554 LEU CD1 C 13 25.692 . . 1 . . . . . 554 LEU CD1 . 50474 1 569 . 1 . 1 557 557 ILE HD11 H 1 0.835 . . 1 . . . . . 557 ILE MD . 50474 1 570 . 1 . 1 557 557 ILE HD12 H 1 0.835 . . 1 . . . . . 557 ILE MD . 50474 1 571 . 1 . 1 557 557 ILE HD13 H 1 0.835 . . 1 . . . . . 557 ILE MD . 50474 1 572 . 1 . 1 557 557 ILE CD1 C 13 13.986 . . 1 . . . . . 557 ILE CD1 . 50474 1 573 . 1 . 1 558 558 LEU HD11 H 1 0.004 . . 1 . . . . . 558 LEU MD1 . 50474 1 574 . 1 . 1 558 558 LEU HD12 H 1 0.004 . . 1 . . . . . 558 LEU MD1 . 50474 1 575 . 1 . 1 558 558 LEU HD13 H 1 0.004 . . 1 . . . . . 558 LEU MD1 . 50474 1 576 . 1 . 1 558 558 LEU CD1 C 13 25.164 . . 1 . . . . . 558 LEU CD1 . 50474 1 577 . 1 . 1 562 562 VAL HG11 H 1 0.594 . . 1 . . . . . 562 VAL MG1 . 50474 1 578 . 1 . 1 562 562 VAL HG12 H 1 0.594 . . 1 . . . . . 562 VAL MG1 . 50474 1 579 . 1 . 1 562 562 VAL HG13 H 1 0.594 . . 1 . . . . . 562 VAL MG1 . 50474 1 580 . 1 . 1 562 562 VAL CG1 C 13 22.950 . . 1 . . . . . 562 VAL CG1 . 50474 1 581 . 1 . 1 566 566 VAL HG11 H 1 0.837 . . 1 . . . . . 566 VAL MG1 . 50474 1 582 . 1 . 1 566 566 VAL HG12 H 1 0.837 . . 1 . . . . . 566 VAL MG1 . 50474 1 583 . 1 . 1 566 566 VAL HG13 H 1 0.837 . . 1 . . . . . 566 VAL MG1 . 50474 1 584 . 1 . 1 566 566 VAL CG1 C 13 21.238 . . 1 . . . . . 566 VAL CG1 . 50474 1 585 . 1 . 1 567 567 VAL HG11 H 1 0.411 . . 1 . . . . . 567 VAL MG1 . 50474 1 586 . 1 . 1 567 567 VAL HG12 H 1 0.411 . . 1 . . . . . 567 VAL MG1 . 50474 1 587 . 1 . 1 567 567 VAL HG13 H 1 0.411 . . 1 . . . . . 567 VAL MG1 . 50474 1 588 . 1 . 1 567 567 VAL CG1 C 13 21.668 . . 1 . . . . . 567 VAL CG1 . 50474 1 589 . 1 . 1 571 571 LEU HD11 H 1 0.478 . . 1 . . . . . 571 LEU MD1 . 50474 1 590 . 1 . 1 571 571 LEU HD12 H 1 0.478 . . 1 . . . . . 571 LEU MD1 . 50474 1 591 . 1 . 1 571 571 LEU HD13 H 1 0.478 . . 1 . . . . . 571 LEU MD1 . 50474 1 592 . 1 . 1 571 571 LEU CD1 C 13 24.538 . . 1 . . . . . 571 LEU CD1 . 50474 1 593 . 1 . 1 572 572 LEU HD11 H 1 0.856 . . 1 . . . . . 572 LEU MD1 . 50474 1 594 . 1 . 1 572 572 LEU HD12 H 1 0.856 . . 1 . . . . . 572 LEU MD1 . 50474 1 595 . 1 . 1 572 572 LEU HD13 H 1 0.856 . . 1 . . . . . 572 LEU MD1 . 50474 1 596 . 1 . 1 572 572 LEU CD1 C 13 24.838 . . 1 . . . . . 572 LEU CD1 . 50474 1 597 . 1 . 1 574 574 ALA HB1 H 1 1.425 . . 1 . . . . . 574 ALA MB . 50474 1 598 . 1 . 1 574 574 ALA HB2 H 1 1.425 . . 1 . . . . . 574 ALA MB . 50474 1 599 . 1 . 1 574 574 ALA HB3 H 1 1.425 . . 1 . . . . . 574 ALA MB . 50474 1 600 . 1 . 1 574 574 ALA CB C 13 19.839 . . 1 . . . . . 574 ALA CB . 50474 1 601 . 1 . 1 577 577 ALA HB1 H 1 1.337 . . 1 . . . . . 577 ALA MB . 50474 1 602 . 1 . 1 577 577 ALA HB2 H 1 1.337 . . 1 . . . . . 577 ALA MB . 50474 1 603 . 1 . 1 577 577 ALA HB3 H 1 1.337 . . 1 . . . . . 577 ALA MB . 50474 1 604 . 1 . 1 577 577 ALA CB C 13 23.482 . . 1 . . . . . 577 ALA CB . 50474 1 605 . 1 . 1 578 578 ILE HD11 H 1 0.713 . . 1 . . . . . 578 ILE MD . 50474 1 606 . 1 . 1 578 578 ILE HD12 H 1 0.713 . . 1 . . . . . 578 ILE MD . 50474 1 607 . 1 . 1 578 578 ILE HD13 H 1 0.713 . . 1 . . . . . 578 ILE MD . 50474 1 608 . 1 . 1 578 578 ILE CD1 C 13 11.991 . . 1 . . . . . 578 ILE CD1 . 50474 1 609 . 1 . 1 589 589 MET HE1 H 1 1.859 . . 1 . . . . . 589 MET ME . 50474 1 610 . 1 . 1 589 589 MET HE2 H 1 1.859 . . 1 . . . . . 589 MET ME . 50474 1 611 . 1 . 1 589 589 MET HE3 H 1 1.859 . . 1 . . . . . 589 MET ME . 50474 1 612 . 1 . 1 589 589 MET CE C 13 16.818 . . 1 . . . . . 589 MET CE . 50474 1 613 . 1 . 1 592 592 ILE HD11 H 1 0.720 . . 1 . . . . . 592 ILE MD . 50474 1 614 . 1 . 1 592 592 ILE HD12 H 1 0.720 . . 1 . . . . . 592 ILE MD . 50474 1 615 . 1 . 1 592 592 ILE HD13 H 1 0.720 . . 1 . . . . . 592 ILE MD . 50474 1 616 . 1 . 1 592 592 ILE CD1 C 13 12.868 . . 1 . . . . . 592 ILE CD1 . 50474 1 617 . 1 . 1 593 593 MET HE1 H 1 1.927 . . 1 . . . . . 593 MET ME . 50474 1 618 . 1 . 1 593 593 MET HE2 H 1 1.927 . . 1 . . . . . 593 MET ME . 50474 1 619 . 1 . 1 593 593 MET HE3 H 1 1.927 . . 1 . . . . . 593 MET ME . 50474 1 620 . 1 . 1 593 593 MET CE C 13 16.862 . . 1 . . . . . 593 MET CE . 50474 1 621 . 1 . 1 595 595 ALA HB1 H 1 1.420 . . 1 . . . . . 595 ALA MB . 50474 1 622 . 1 . 1 595 595 ALA HB2 H 1 1.420 . . 1 . . . . . 595 ALA MB . 50474 1 623 . 1 . 1 595 595 ALA HB3 H 1 1.420 . . 1 . . . . . 595 ALA MB . 50474 1 624 . 1 . 1 595 595 ALA CB C 13 18.529 . . 1 . . . . . 595 ALA CB . 50474 1 625 . 1 . 1 603 603 MET HE1 H 1 1.990 . . 1 . . . . . 603 MET ME . 50474 1 626 . 1 . 1 603 603 MET HE2 H 1 1.990 . . 1 . . . . . 603 MET ME . 50474 1 627 . 1 . 1 603 603 MET HE3 H 1 1.990 . . 1 . . . . . 603 MET ME . 50474 1 628 . 1 . 1 603 603 MET CE C 13 16.972 . . 1 . . . . . 603 MET CE . 50474 1 629 . 1 . 1 607 607 MET HE1 H 1 1.984 . . 1 . . . . . 607 MET ME . 50474 1 630 . 1 . 1 607 607 MET HE2 H 1 1.984 . . 1 . . . . . 607 MET ME . 50474 1 631 . 1 . 1 607 607 MET HE3 H 1 1.984 . . 1 . . . . . 607 MET ME . 50474 1 632 . 1 . 1 607 607 MET CE C 13 16.906 . . 1 . . . . . 607 MET CE . 50474 1 633 . 1 . 1 615 615 ILE HD11 H 1 0.569 . . 1 . . . . . 615 ILE MD . 50474 1 634 . 1 . 1 615 615 ILE HD12 H 1 0.569 . . 1 . . . . . 615 ILE MD . 50474 1 635 . 1 . 1 615 615 ILE HD13 H 1 0.569 . . 1 . . . . . 615 ILE MD . 50474 1 636 . 1 . 1 615 615 ILE CD1 C 13 13.825 . . 1 . . . . . 615 ILE CD1 . 50474 1 637 . 1 . 1 621 621 ILE HD11 H 1 0.858 . . 1 . . . . . 621 ILE MD . 50474 1 638 . 1 . 1 621 621 ILE HD12 H 1 0.858 . . 1 . . . . . 621 ILE MD . 50474 1 639 . 1 . 1 621 621 ILE HD13 H 1 0.858 . . 1 . . . . . 621 ILE MD . 50474 1 640 . 1 . 1 621 621 ILE CD1 C 13 13.507 . . 1 . . . . . 621 ILE CD1 . 50474 1 641 . 1 . 1 622 622 ILE HD11 H 1 0.542 . . 1 . . . . . 622 ILE MD . 50474 1 642 . 1 . 1 622 622 ILE HD12 H 1 0.542 . . 1 . . . . . 622 ILE MD . 50474 1 643 . 1 . 1 622 622 ILE HD13 H 1 0.542 . . 1 . . . . . 622 ILE MD . 50474 1 644 . 1 . 1 622 622 ILE CD1 C 13 7.362 . . 1 . . . . . 622 ILE CD1 . 50474 1 645 . 1 . 1 639 639 VAL HG11 H 1 0.673 . . 1 . . . . . 639 VAL MG1 . 50474 1 646 . 1 . 1 639 639 VAL HG12 H 1 0.673 . . 1 . . . . . 639 VAL MG1 . 50474 1 647 . 1 . 1 639 639 VAL HG13 H 1 0.673 . . 1 . . . . . 639 VAL MG1 . 50474 1 648 . 1 . 1 639 639 VAL CG1 C 13 20.191 . . 1 . . . . . 639 VAL CG1 . 50474 1 649 . 1 . 1 645 645 LEU HD11 H 1 0.807 . . 1 . . . . . 645 LEU MD1 . 50474 1 650 . 1 . 1 645 645 LEU HD12 H 1 0.807 . . 1 . . . . . 645 LEU MD1 . 50474 1 651 . 1 . 1 645 645 LEU HD13 H 1 0.807 . . 1 . . . . . 645 LEU MD1 . 50474 1 652 . 1 . 1 645 645 LEU CD1 C 13 25.164 . . 1 . . . . . 645 LEU CD1 . 50474 1 653 . 1 . 1 650 650 ALA HB1 H 1 1.554 . . 1 . . . . . 650 ALA MB . 50474 1 654 . 1 . 1 650 650 ALA HB2 H 1 1.554 . . 1 . . . . . 650 ALA MB . 50474 1 655 . 1 . 1 650 650 ALA HB3 H 1 1.554 . . 1 . . . . . 650 ALA MB . 50474 1 656 . 1 . 1 650 650 ALA CB C 13 17.290 . . 1 . . . . . 650 ALA CB . 50474 1 657 . 1 . 1 651 651 LEU HD11 H 1 0.530 . . 1 . . . . . 651 LEU MD1 . 50474 1 658 . 1 . 1 651 651 LEU HD12 H 1 0.530 . . 1 . . . . . 651 LEU MD1 . 50474 1 659 . 1 . 1 651 651 LEU HD13 H 1 0.530 . . 1 . . . . . 651 LEU MD1 . 50474 1 660 . 1 . 1 651 651 LEU CD1 C 13 25.852 . . 1 . . . . . 651 LEU CD1 . 50474 1 661 . 1 . 1 652 652 LEU HD11 H 1 0.687 . . 1 . . . . . 652 LEU MD1 . 50474 1 662 . 1 . 1 652 652 LEU HD12 H 1 0.687 . . 1 . . . . . 652 LEU MD1 . 50474 1 663 . 1 . 1 652 652 LEU HD13 H 1 0.687 . . 1 . . . . . 652 LEU MD1 . 50474 1 664 . 1 . 1 652 652 LEU CD1 C 13 26.718 . . 1 . . . . . 652 LEU CD1 . 50474 1 665 . 1 . 1 658 658 LEU HD11 H 1 0.366 . . 1 . . . . . 658 LEU MD1 . 50474 1 666 . 1 . 1 658 658 LEU HD12 H 1 0.366 . . 1 . . . . . 658 LEU MD1 . 50474 1 667 . 1 . 1 658 658 LEU HD13 H 1 0.366 . . 1 . . . . . 658 LEU MD1 . 50474 1 668 . 1 . 1 658 658 LEU CD1 C 13 25.742 . . 1 . . . . . 658 LEU CD1 . 50474 1 669 . 1 . 1 668 668 ILE HD11 H 1 0.317 . . 1 . . . . . 668 ILE MD . 50474 1 670 . 1 . 1 668 668 ILE HD12 H 1 0.317 . . 1 . . . . . 668 ILE MD . 50474 1 671 . 1 . 1 668 668 ILE HD13 H 1 0.317 . . 1 . . . . . 668 ILE MD . 50474 1 672 . 1 . 1 668 668 ILE CD1 C 13 11.554 . . 1 . . . . . 668 ILE CD1 . 50474 1 673 . 1 . 1 671 671 LEU HD11 H 1 0.776 . . 1 . . . . . 671 LEU MD1 . 50474 1 674 . 1 . 1 671 671 LEU HD12 H 1 0.776 . . 1 . . . . . 671 LEU MD1 . 50474 1 675 . 1 . 1 671 671 LEU HD13 H 1 0.776 . . 1 . . . . . 671 LEU MD1 . 50474 1 676 . 1 . 1 671 671 LEU CD1 C 13 24.479 . . 1 . . . . . 671 LEU CD1 . 50474 1 677 . 1 . 1 674 674 LEU HD11 H 1 0.908 . . 1 . . . . . 674 LEU MD1 . 50474 1 678 . 1 . 1 674 674 LEU HD12 H 1 0.908 . . 1 . . . . . 674 LEU MD1 . 50474 1 679 . 1 . 1 674 674 LEU HD13 H 1 0.908 . . 1 . . . . . 674 LEU MD1 . 50474 1 680 . 1 . 1 674 674 LEU CD1 C 13 24.152 . . 1 . . . . . 674 LEU CD1 . 50474 1 681 . 1 . 1 676 676 LEU HD11 H 1 0.741 . . 1 . . . . . 676 LEU MD1 . 50474 1 682 . 1 . 1 676 676 LEU HD12 H 1 0.741 . . 1 . . . . . 676 LEU MD1 . 50474 1 683 . 1 . 1 676 676 LEU HD13 H 1 0.741 . . 1 . . . . . 676 LEU MD1 . 50474 1 684 . 1 . 1 676 676 LEU CD1 C 13 26.428 . . 1 . . . . . 676 LEU CD1 . 50474 1 685 . 1 . 1 678 678 ILE HD11 H 1 0.712 . . 1 . . . . . 678 ILE MD . 50474 1 686 . 1 . 1 678 678 ILE HD12 H 1 0.712 . . 1 . . . . . 678 ILE MD . 50474 1 687 . 1 . 1 678 678 ILE HD13 H 1 0.712 . . 1 . . . . . 678 ILE MD . 50474 1 688 . 1 . 1 678 678 ILE CD1 C 13 13.900 . . 1 . . . . . 678 ILE CD1 . 50474 1 689 . 1 . 1 687 687 ALA HB1 H 1 1.355 . . 1 . . . . . 687 ALA MB . 50474 1 690 . 1 . 1 687 687 ALA HB2 H 1 1.355 . . 1 . . . . . 687 ALA MB . 50474 1 691 . 1 . 1 687 687 ALA HB3 H 1 1.355 . . 1 . . . . . 687 ALA MB . 50474 1 692 . 1 . 1 687 687 ALA CB C 13 18.040 . . 1 . . . . . 687 ALA CB . 50474 1 693 . 1 . 1 690 690 ALA HB1 H 1 1.392 . . 1 . . . . . 690 ALA MB . 50474 1 694 . 1 . 1 690 690 ALA HB2 H 1 1.392 . . 1 . . . . . 690 ALA MB . 50474 1 695 . 1 . 1 690 690 ALA HB3 H 1 1.392 . . 1 . . . . . 690 ALA MB . 50474 1 696 . 1 . 1 690 690 ALA CB C 13 19.135 . . 1 . . . . . 690 ALA CB . 50474 1 697 . 1 . 1 693 693 ALA HB1 H 1 1.383 . . 1 . . . . . 693 ALA MB . 50474 1 698 . 1 . 1 693 693 ALA HB2 H 1 1.383 . . 1 . . . . . 693 ALA MB . 50474 1 699 . 1 . 1 693 693 ALA HB3 H 1 1.383 . . 1 . . . . . 693 ALA MB . 50474 1 700 . 1 . 1 693 693 ALA CB C 13 19.254 . . 1 . . . . . 693 ALA CB . 50474 1 701 . 1 . 1 694 694 ALA HB1 H 1 1.338 . . 1 . . . . . 694 ALA MB . 50474 1 702 . 1 . 1 694 694 ALA HB2 H 1 1.338 . . 1 . . . . . 694 ALA MB . 50474 1 703 . 1 . 1 694 694 ALA HB3 H 1 1.338 . . 1 . . . . . 694 ALA MB . 50474 1 704 . 1 . 1 694 694 ALA CB C 13 17.936 . . 1 . . . . . 694 ALA CB . 50474 1 705 . 1 . 1 701 701 ALA HB1 H 1 1.346 . . 1 . . . . . 701 ALA MB . 50474 1 706 . 1 . 1 701 701 ALA HB2 H 1 1.346 . . 1 . . . . . 701 ALA MB . 50474 1 707 . 1 . 1 701 701 ALA HB3 H 1 1.346 . . 1 . . . . . 701 ALA MB . 50474 1 708 . 1 . 1 701 701 ALA CB C 13 19.216 . . 1 . . . . . 701 ALA CB . 50474 1 709 . 1 . 1 705 705 MET HE1 H 1 2.087 . . 1 . . . . . 705 MET ME . 50474 1 710 . 1 . 1 705 705 MET HE2 H 1 2.087 . . 1 . . . . . 705 MET ME . 50474 1 711 . 1 . 1 705 705 MET HE3 H 1 2.087 . . 1 . . . . . 705 MET ME . 50474 1 712 . 1 . 1 705 705 MET CE C 13 16.866 . . 1 . . . . . 705 MET CE . 50474 1 713 . 1 . 1 708 708 VAL HG11 H 1 0.949 . . 1 . . . . . 708 VAL MG1 . 50474 1 714 . 1 . 1 708 708 VAL HG12 H 1 0.949 . . 1 . . . . . 708 VAL MG1 . 50474 1 715 . 1 . 1 708 708 VAL HG13 H 1 0.949 . . 1 . . . . . 708 VAL MG1 . 50474 1 716 . 1 . 1 708 708 VAL CG1 C 13 20.756 . . 1 . . . . . 708 VAL CG1 . 50474 1 stop_ save_