data_50628 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50628 _Entry.Title ; Backbone chemical shift assignments for the D1 translational isoform of the human glucocorticoid receptor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-12-09 _Entry.Accession_date 2020-12-09 _Entry.Last_release_date 2020-12-09 _Entry.Original_release_date 2020-12-09 _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 ; Assigned chemical shifts for the D1 translational isoform of the human glucocorticoid receptor, residues 316-525; includes the disordered NTD beginning at residue 316 (translation start site for D1 isoform), the DNA-binding domain (residues 420-501) and the disordered hinge (502-525). ; _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 Emily Grasso . M. . 0000-0003-0014-4365 50628 2 Ananya Majumdar . . . . 50628 3 James Wrabl . O. . . 50628 4 Dominique Frueh . P. . . 50628 5 Vincent Hilser . J. . . 50628 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Hilser group' . 50628 2 . 'Frueh group' . 50628 3 . 'Biomolecular NMR Center' . 50628 4 . 'Johns Hopkins University' . 50628 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50628 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 406 50628 '15N chemical shifts' 182 50628 '1H chemical shifts' 182 50628 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 . . 2021-06-18 2020-12-09 update BMRB 'update entry citation' 50628 1 . . 2021-05-07 2020-12-09 original author 'original release' 50628 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50603 'assignments for the isolated DBD of GR (420-501)' 50628 BMRB 50626 'assignments for the D3 translational isoform of GR (336-525)' 50628 BMRB 50627 'assignments for the D2 translational isoform of GR (331-525)' 50628 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50628 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33901472 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Conserved allosteric ensembles in a disordered protein using TROSY/Anti-TROSY R 2-filtered spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full . _Citation.Journal_volume 120 _Citation.Journal_issue 12 _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 2498 _Citation.Page_last 2510 _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 Emily Grasso . M. . . 50628 1 2 Ananya Majumdar . . . . 50628 1 3 James Wrabl . O. . . 50628 1 4 Dominique Frueh . P. . . 50628 1 5 Vincent Hilser . J. . . 50628 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50628 _Assembly.ID 1 _Assembly.Name 'D1DBD monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 2 _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 protein 1 $entity_1 . . yes native no no . 'polypeptide chain' . 50628 1 2 'zinc 1' 2 $entity_ZN . . no native no no . structural 'first zinc finger spans residues 421-441' 50628 1 3 'zinc 2' 2 $entity_ZN . . no native no no . structural 'second zinc finger spans residues 457-476' 50628 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 CYS 109 109 SG . 2 . 2 ZN 1 1 ZN . . . 421 C SG . . . Zn1 . Zn 50628 1 2 coordination single . 1 . 1 CYS 112 112 SG . 2 . 2 ZN 1 1 ZN . . . 424 C SG . . . Zn1 . Zn 50628 1 3 coordination single . 1 . 1 CYS 126 126 SG . 2 . 2 ZN 1 1 ZN . . . 438 C SG . . . Zn1 . Zn 50628 1 4 coordination single . 1 . 1 CYS 129 129 SG . 2 . 2 ZN 1 1 ZN . . . 441 C SG . . . Zn1 . Zn 50628 1 5 coordination single . 1 . 1 CYS 145 145 SG . 3 . 2 ZN 1 1 ZN . . . 457 C SG . . . Zn2 . Zn 50628 1 6 coordination single . 1 . 1 CYS 151 151 SG . 3 . 2 ZN 1 1 ZN . . . 463 C SG . . . Zn2 . Zn 50628 1 7 coordination single . 1 . 1 CYS 161 161 SG . 3 . 2 ZN 1 1 ZN . . . 473 C SG . . . Zn2 . Zn 50628 1 8 coordination single . 1 . 1 CYS 164 164 SG . 3 . 2 ZN 1 1 ZN . . . 476 C SG . . . Zn2 . Zn 50628 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'DNA binding' 50628 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50628 _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 ; GSHMSAISVHGVSTSGGQMY HYDMNTASLSQQQDQKPIFN VIPPIPVGSENWNRCQGSGD DNLTSLGTLNFPGRTVFSNG YSSPSMRPDVSSPPSSSSTA TTGPPPKLCLVCSDEASGCH YGVLTCGSCKVFFKRAVEGQ HNYLCAGRNDCIIDKIRRKN CPACRYRKCLQAGMNLEARK TKKKIKGIQQATTGVSQETS ENPGNKTIVPATL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; The initial 3 amino acids remain after cleavage of N-terminal his tag; residue 316 is the initial M in the sequence. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 213 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'DNA binding, transcription factor, stress response, zinc binding' 50628 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 1 313 GLY . 50628 1 2 314 SER . 50628 1 3 315 HIS . 50628 1 4 316 MET . 50628 1 5 317 SER . 50628 1 6 318 ALA . 50628 1 7 319 ILE . 50628 1 8 320 SER . 50628 1 9 321 VAL . 50628 1 10 322 HIS . 50628 1 11 323 GLY . 50628 1 12 324 VAL . 50628 1 13 325 SER . 50628 1 14 326 THR . 50628 1 15 327 SER . 50628 1 16 328 GLY . 50628 1 17 329 GLY . 50628 1 18 330 GLN . 50628 1 19 331 MET . 50628 1 20 332 TYR . 50628 1 21 333 HIS . 50628 1 22 334 TYR . 50628 1 23 335 ASP . 50628 1 24 336 MET . 50628 1 25 337 ASN . 50628 1 26 338 THR . 50628 1 27 339 ALA . 50628 1 28 340 SER . 50628 1 29 341 LEU . 50628 1 30 342 SER . 50628 1 31 343 GLN . 50628 1 32 344 GLN . 50628 1 33 345 GLN . 50628 1 34 346 ASP . 50628 1 35 347 GLN . 50628 1 36 348 LYS . 50628 1 37 349 PRO . 50628 1 38 350 ILE . 50628 1 39 351 PHE . 50628 1 40 352 ASN . 50628 1 41 353 VAL . 50628 1 42 354 ILE . 50628 1 43 355 PRO . 50628 1 44 356 PRO . 50628 1 45 357 ILE . 50628 1 46 358 PRO . 50628 1 47 359 VAL . 50628 1 48 360 GLY . 50628 1 49 361 SER . 50628 1 50 362 GLU . 50628 1 51 363 ASN . 50628 1 52 364 TRP . 50628 1 53 365 ASN . 50628 1 54 366 ARG . 50628 1 55 367 CYS . 50628 1 56 368 GLN . 50628 1 57 369 GLY . 50628 1 58 370 SER . 50628 1 59 371 GLY . 50628 1 60 372 ASP . 50628 1 61 373 ASP . 50628 1 62 374 ASN . 50628 1 63 375 LEU . 50628 1 64 376 THR . 50628 1 65 377 SER . 50628 1 66 378 LEU . 50628 1 67 379 GLY . 50628 1 68 380 THR . 50628 1 69 381 LEU . 50628 1 70 382 ASN . 50628 1 71 383 PHE . 50628 1 72 384 PRO . 50628 1 73 385 GLY . 50628 1 74 386 ARG . 50628 1 75 387 THR . 50628 1 76 388 VAL . 50628 1 77 389 PHE . 50628 1 78 390 SER . 50628 1 79 391 ASN . 50628 1 80 392 GLY . 50628 1 81 393 TYR . 50628 1 82 394 SER . 50628 1 83 395 SER . 50628 1 84 396 PRO . 50628 1 85 397 SER . 50628 1 86 398 MET . 50628 1 87 399 ARG . 50628 1 88 400 PRO . 50628 1 89 401 ASP . 50628 1 90 402 VAL . 50628 1 91 403 SER . 50628 1 92 404 SER . 50628 1 93 405 PRO . 50628 1 94 406 PRO . 50628 1 95 407 SER . 50628 1 96 408 SER . 50628 1 97 409 SER . 50628 1 98 410 SER . 50628 1 99 411 THR . 50628 1 100 412 ALA . 50628 1 101 413 THR . 50628 1 102 414 THR . 50628 1 103 415 GLY . 50628 1 104 416 PRO . 50628 1 105 417 PRO . 50628 1 106 418 PRO . 50628 1 107 419 LYS . 50628 1 108 420 LEU . 50628 1 109 421 CYS . 50628 1 110 422 LEU . 50628 1 111 423 VAL . 50628 1 112 424 CYS . 50628 1 113 425 SER . 50628 1 114 426 ASP . 50628 1 115 427 GLU . 50628 1 116 428 ALA . 50628 1 117 429 SER . 50628 1 118 430 GLY . 50628 1 119 431 CYS . 50628 1 120 432 HIS . 50628 1 121 433 TYR . 50628 1 122 434 GLY . 50628 1 123 435 VAL . 50628 1 124 436 LEU . 50628 1 125 437 THR . 50628 1 126 438 CYS . 50628 1 127 439 GLY . 50628 1 128 440 SER . 50628 1 129 441 CYS . 50628 1 130 442 LYS . 50628 1 131 443 VAL . 50628 1 132 444 PHE . 50628 1 133 445 PHE . 50628 1 134 446 LYS . 50628 1 135 447 ARG . 50628 1 136 448 ALA . 50628 1 137 449 VAL . 50628 1 138 450 GLU . 50628 1 139 451 GLY . 50628 1 140 452 GLN . 50628 1 141 453 HIS . 50628 1 142 454 ASN . 50628 1 143 455 TYR . 50628 1 144 456 LEU . 50628 1 145 457 CYS . 50628 1 146 458 ALA . 50628 1 147 459 GLY . 50628 1 148 460 ARG . 50628 1 149 461 ASN . 50628 1 150 462 ASP . 50628 1 151 463 CYS . 50628 1 152 464 ILE . 50628 1 153 465 ILE . 50628 1 154 466 ASP . 50628 1 155 467 LYS . 50628 1 156 468 ILE . 50628 1 157 469 ARG . 50628 1 158 470 ARG . 50628 1 159 471 LYS . 50628 1 160 472 ASN . 50628 1 161 473 CYS . 50628 1 162 474 PRO . 50628 1 163 475 ALA . 50628 1 164 476 CYS . 50628 1 165 477 ARG . 50628 1 166 478 TYR . 50628 1 167 479 ARG . 50628 1 168 480 LYS . 50628 1 169 481 CYS . 50628 1 170 482 LEU . 50628 1 171 483 GLN . 50628 1 172 484 ALA . 50628 1 173 485 GLY . 50628 1 174 486 MET . 50628 1 175 487 ASN . 50628 1 176 488 LEU . 50628 1 177 489 GLU . 50628 1 178 490 ALA . 50628 1 179 491 ARG . 50628 1 180 492 LYS . 50628 1 181 493 THR . 50628 1 182 494 LYS . 50628 1 183 495 LYS . 50628 1 184 496 LYS . 50628 1 185 497 ILE . 50628 1 186 498 LYS . 50628 1 187 499 GLY . 50628 1 188 500 ILE . 50628 1 189 501 GLN . 50628 1 190 502 GLN . 50628 1 191 503 ALA . 50628 1 192 504 THR . 50628 1 193 505 THR . 50628 1 194 506 GLY . 50628 1 195 507 VAL . 50628 1 196 508 SER . 50628 1 197 509 GLN . 50628 1 198 510 GLU . 50628 1 199 511 THR . 50628 1 200 512 SER . 50628 1 201 513 GLU . 50628 1 202 514 ASN . 50628 1 203 515 PRO . 50628 1 204 516 GLY . 50628 1 205 517 ASN . 50628 1 206 518 LYS . 50628 1 207 519 THR . 50628 1 208 520 ILE . 50628 1 209 521 VAL . 50628 1 210 522 PRO . 50628 1 211 523 ALA . 50628 1 212 524 THR . 50628 1 213 525 LEU . 50628 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 50628 1 . SER 2 2 50628 1 . HIS 3 3 50628 1 . MET 4 4 50628 1 . SER 5 5 50628 1 . ALA 6 6 50628 1 . ILE 7 7 50628 1 . SER 8 8 50628 1 . VAL 9 9 50628 1 . HIS 10 10 50628 1 . GLY 11 11 50628 1 . VAL 12 12 50628 1 . SER 13 13 50628 1 . THR 14 14 50628 1 . SER 15 15 50628 1 . GLY 16 16 50628 1 . GLY 17 17 50628 1 . GLN 18 18 50628 1 . MET 19 19 50628 1 . TYR 20 20 50628 1 . HIS 21 21 50628 1 . TYR 22 22 50628 1 . ASP 23 23 50628 1 . MET 24 24 50628 1 . ASN 25 25 50628 1 . THR 26 26 50628 1 . ALA 27 27 50628 1 . SER 28 28 50628 1 . LEU 29 29 50628 1 . SER 30 30 50628 1 . GLN 31 31 50628 1 . GLN 32 32 50628 1 . GLN 33 33 50628 1 . ASP 34 34 50628 1 . GLN 35 35 50628 1 . LYS 36 36 50628 1 . PRO 37 37 50628 1 . ILE 38 38 50628 1 . PHE 39 39 50628 1 . ASN 40 40 50628 1 . VAL 41 41 50628 1 . ILE 42 42 50628 1 . PRO 43 43 50628 1 . PRO 44 44 50628 1 . ILE 45 45 50628 1 . PRO 46 46 50628 1 . VAL 47 47 50628 1 . GLY 48 48 50628 1 . SER 49 49 50628 1 . GLU 50 50 50628 1 . ASN 51 51 50628 1 . TRP 52 52 50628 1 . ASN 53 53 50628 1 . ARG 54 54 50628 1 . CYS 55 55 50628 1 . GLN 56 56 50628 1 . GLY 57 57 50628 1 . SER 58 58 50628 1 . GLY 59 59 50628 1 . ASP 60 60 50628 1 . ASP 61 61 50628 1 . ASN 62 62 50628 1 . LEU 63 63 50628 1 . THR 64 64 50628 1 . SER 65 65 50628 1 . LEU 66 66 50628 1 . GLY 67 67 50628 1 . THR 68 68 50628 1 . LEU 69 69 50628 1 . ASN 70 70 50628 1 . PHE 71 71 50628 1 . PRO 72 72 50628 1 . GLY 73 73 50628 1 . ARG 74 74 50628 1 . THR 75 75 50628 1 . VAL 76 76 50628 1 . PHE 77 77 50628 1 . SER 78 78 50628 1 . ASN 79 79 50628 1 . GLY 80 80 50628 1 . TYR 81 81 50628 1 . SER 82 82 50628 1 . SER 83 83 50628 1 . PRO 84 84 50628 1 . SER 85 85 50628 1 . MET 86 86 50628 1 . ARG 87 87 50628 1 . PRO 88 88 50628 1 . ASP 89 89 50628 1 . VAL 90 90 50628 1 . SER 91 91 50628 1 . SER 92 92 50628 1 . PRO 93 93 50628 1 . PRO 94 94 50628 1 . SER 95 95 50628 1 . SER 96 96 50628 1 . SER 97 97 50628 1 . SER 98 98 50628 1 . THR 99 99 50628 1 . ALA 100 100 50628 1 . THR 101 101 50628 1 . THR 102 102 50628 1 . GLY 103 103 50628 1 . PRO 104 104 50628 1 . PRO 105 105 50628 1 . PRO 106 106 50628 1 . LYS 107 107 50628 1 . LEU 108 108 50628 1 . CYS 109 109 50628 1 . LEU 110 110 50628 1 . VAL 111 111 50628 1 . CYS 112 112 50628 1 . SER 113 113 50628 1 . ASP 114 114 50628 1 . GLU 115 115 50628 1 . ALA 116 116 50628 1 . SER 117 117 50628 1 . GLY 118 118 50628 1 . CYS 119 119 50628 1 . HIS 120 120 50628 1 . TYR 121 121 50628 1 . GLY 122 122 50628 1 . VAL 123 123 50628 1 . LEU 124 124 50628 1 . THR 125 125 50628 1 . CYS 126 126 50628 1 . GLY 127 127 50628 1 . SER 128 128 50628 1 . CYS 129 129 50628 1 . LYS 130 130 50628 1 . VAL 131 131 50628 1 . PHE 132 132 50628 1 . PHE 133 133 50628 1 . LYS 134 134 50628 1 . ARG 135 135 50628 1 . ALA 136 136 50628 1 . VAL 137 137 50628 1 . GLU 138 138 50628 1 . GLY 139 139 50628 1 . GLN 140 140 50628 1 . HIS 141 141 50628 1 . ASN 142 142 50628 1 . TYR 143 143 50628 1 . LEU 144 144 50628 1 . CYS 145 145 50628 1 . ALA 146 146 50628 1 . GLY 147 147 50628 1 . ARG 148 148 50628 1 . ASN 149 149 50628 1 . ASP 150 150 50628 1 . CYS 151 151 50628 1 . ILE 152 152 50628 1 . ILE 153 153 50628 1 . ASP 154 154 50628 1 . LYS 155 155 50628 1 . ILE 156 156 50628 1 . ARG 157 157 50628 1 . ARG 158 158 50628 1 . LYS 159 159 50628 1 . ASN 160 160 50628 1 . CYS 161 161 50628 1 . PRO 162 162 50628 1 . ALA 163 163 50628 1 . CYS 164 164 50628 1 . ARG 165 165 50628 1 . TYR 166 166 50628 1 . ARG 167 167 50628 1 . LYS 168 168 50628 1 . CYS 169 169 50628 1 . LEU 170 170 50628 1 . GLN 171 171 50628 1 . ALA 172 172 50628 1 . GLY 173 173 50628 1 . MET 174 174 50628 1 . ASN 175 175 50628 1 . LEU 176 176 50628 1 . GLU 177 177 50628 1 . ALA 178 178 50628 1 . ARG 179 179 50628 1 . LYS 180 180 50628 1 . THR 181 181 50628 1 . LYS 182 182 50628 1 . LYS 183 183 50628 1 . LYS 184 184 50628 1 . ILE 185 185 50628 1 . LYS 186 186 50628 1 . GLY 187 187 50628 1 . ILE 188 188 50628 1 . GLN 189 189 50628 1 . GLN 190 190 50628 1 . ALA 191 191 50628 1 . THR 192 192 50628 1 . THR 193 193 50628 1 . GLY 194 194 50628 1 . VAL 195 195 50628 1 . SER 196 196 50628 1 . GLN 197 197 50628 1 . GLU 198 198 50628 1 . THR 199 199 50628 1 . SER 200 200 50628 1 . GLU 201 201 50628 1 . ASN 202 202 50628 1 . PRO 203 203 50628 1 . GLY 204 204 50628 1 . ASN 205 205 50628 1 . LYS 206 206 50628 1 . THR 207 207 50628 1 . ILE 208 208 50628 1 . VAL 209 209 50628 1 . PRO 210 210 50628 1 . ALA 211 211 50628 1 . THR 212 212 50628 1 . LEU 213 213 50628 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 50628 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _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 ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _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 'ZINC ION' BMRB 50628 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 50628 2 ZN 'Three letter code' 50628 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 ZN $chem_comp_ZN 50628 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 50628 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50628 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 50628 _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 . . . plasmid . . pj411 . . . 50628 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 50628 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _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 ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _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 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _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 . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _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/Zn/q+2 InChI InChI 1.03 50628 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 50628 ZN [Zn++] SMILES CACTVS 3.341 50628 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 50628 ZN [Zn+2] SMILES ACDLabs 10.04 50628 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 50628 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 50628 ZN 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 zinc 'SYSTEMATIC NAME' ACDLabs 10.04 50628 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 50628 ZN 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 ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 50628 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50628 _Sample.ID 1 _Sample.Name 'GR D1DBD' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 152 uM {15N,13C}-D1DBD, 10% D2O, 20 mM Na2HPO4, pH 7.0, 100 mM NaCl, 5 mM TCEP; samples were thoroughly purged of oxygen under nitrogen and argon, stored in Shigemi tubes to minimize oxidation of zinc fingers. ; _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'D1DBD monomer' '[U-13C; U-15N]' . . 1 $entity_1 . . 152 . . uM . . . . 50628 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 50628 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50628 1 4 TCEP 'natural abundance' . . . . . . 5 . . mM . . . . 50628 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 50628 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 50628 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 50628 _Sample_condition_list.ID 1 _Sample_condition_list.Name GR_conditions _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' 0.16 . M 50628 1 pH 7.0 . pH 50628 1 pressure 1 . atm 50628 1 temperature 293 . K 50628 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50628 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50628 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50628 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50628 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50628 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50628 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 50628 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'JHU Biomolecular NMR Facility 600 MHz magnet' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50628 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50628 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50628 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50628 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50628 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50628 1 6 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50628 1 7 '3D HN(CA)N' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50628 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 50628 _Computing_platform.ID 1 _Computing_platform.Name NMRbox _Computing_platform.Reference_ID . _Computing_platform.Site . _Computing_platform.Site_reference_ID . _Computing_platform.Details 'Programs installed on NMRbox were used to process NUS data.' 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 50628 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name d1dbd_reference _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 methanol protons . . . . ppm 0 external indirect . . . . . . 50628 1 H 1 methanol protons . . . . ppm 0 external direct 1 . . . . . 50628 1 N 15 methanol protons . . . . ppm 0 external indirect . . . . . . 50628 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 50628 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name d1dbd_assignments _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 50628 1 2 '3D HNCO' . . . 50628 1 3 '3D HNCA' . . . 50628 1 4 '3D HNCACB' . . . 50628 1 5 '3D CBCA(CO)NH' . . . 50628 1 6 '3D HN(CA)CO' . . . 50628 1 7 '3D HN(CA)N' . . . 50628 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 . . 50628 1 2 $software_2 . . 50628 1 3 $software_3 . . 50628 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 4 4 MET C C 13 176.288 0.00 . . . . . . . 316 MET C . 50628 1 2 . 1 . 1 4 4 MET CA C 13 55.469 0.00 . . . . . . . 316 MET CA . 50628 1 3 . 1 . 1 4 4 MET CB C 13 32.361 0.00 . . . . . . . 316 MET CB . 50628 1 4 . 1 . 1 5 5 SER H H 1 8.369 0.01 . . . . . . . 317 SER H . 50628 1 5 . 1 . 1 5 5 SER C C 13 174.166 0.00 . . . . . . . 317 SER C . 50628 1 6 . 1 . 1 5 5 SER CA C 13 58.477 0.21 . . . . . . . 317 SER CA . 50628 1 7 . 1 . 1 5 5 SER CB C 13 63.767 0.10 . . . . . . . 317 SER CB . 50628 1 8 . 1 . 1 5 5 SER N N 15 117.221 0.07 . . . . . . . 317 SER N . 50628 1 9 . 1 . 1 6 6 ALA H H 1 8.372 0.00 . . . . . . . 318 ALA H . 50628 1 10 . 1 . 1 6 6 ALA C C 13 177.637 0.00 . . . . . . . 318 ALA C . 50628 1 11 . 1 . 1 6 6 ALA CA C 13 52.652 0.14 . . . . . . . 318 ALA CA . 50628 1 12 . 1 . 1 6 6 ALA CB C 13 19.152 0.02 . . . . . . . 318 ALA CB . 50628 1 13 . 1 . 1 6 6 ALA N N 15 125.914 0.05 . . . . . . . 318 ALA N . 50628 1 14 . 1 . 1 7 7 ILE H H 1 8.057 0.00 . . . . . . . 319 ILE H . 50628 1 15 . 1 . 1 7 7 ILE C C 13 176.236 0.00 . . . . . . . 319 ILE C . 50628 1 16 . 1 . 1 7 7 ILE CA C 13 61.044 0.04 . . . . . . . 319 ILE CA . 50628 1 17 . 1 . 1 7 7 ILE CB C 13 38.819 0.14 . . . . . . . 319 ILE CB . 50628 1 18 . 1 . 1 7 7 ILE N N 15 119.266 0.03 . . . . . . . 319 ILE N . 50628 1 19 . 1 . 1 8 8 SER H H 1 8.318 0.00 . . . . . . . 320 SER H . 50628 1 20 . 1 . 1 8 8 SER C C 13 174.544 0.00 . . . . . . . 320 SER C . 50628 1 21 . 1 . 1 8 8 SER CA C 13 58.224 0.00 . . . . . . . 320 SER CA . 50628 1 22 . 1 . 1 8 8 SER CB C 13 63.836 0.11 . . . . . . . 320 SER CB . 50628 1 23 . 1 . 1 8 8 SER N N 15 119.836 0.04 . . . . . . . 320 SER N . 50628 1 24 . 1 . 1 9 9 VAL H H 1 8.187 0.00 . . . . . . . 321 VAL H . 50628 1 25 . 1 . 1 9 9 VAL C C 13 175.810 0.00 . . . . . . . 321 VAL C . 50628 1 26 . 1 . 1 9 9 VAL CA C 13 62.355 0.16 . . . . . . . 321 VAL CA . 50628 1 27 . 1 . 1 9 9 VAL N N 15 121.731 0.06 . . . . . . . 321 VAL N . 50628 1 28 . 1 . 1 10 10 HIS H H 1 8.321 0.01 . . . . . . . 322 HIS H . 50628 1 29 . 1 . 1 10 10 HIS CA C 13 56.322 0.05 . . . . . . . 322 HIS CA . 50628 1 30 . 1 . 1 10 10 HIS CB C 13 30.716 0.01 . . . . . . . 322 HIS CB . 50628 1 31 . 1 . 1 10 10 HIS N N 15 122.268 0.06 . . . . . . . 322 HIS N . 50628 1 32 . 1 . 1 11 11 GLY H H 1 8.292 0.00 . . . . . . . 323 GLY H . 50628 1 33 . 1 . 1 11 11 GLY CA C 13 45.206 0.00 . . . . . . . 323 GLY CA . 50628 1 34 . 1 . 1 11 11 GLY N N 15 110.128 0.04 . . . . . . . 323 GLY N . 50628 1 35 . 1 . 1 12 12 VAL C C 13 176.373 0.00 . . . . . . . 324 VAL C . 50628 1 36 . 1 . 1 12 12 VAL CA C 13 62.184 0.00 . . . . . . . 324 VAL CA . 50628 1 37 . 1 . 1 12 12 VAL CB C 13 32.969 0.00 . . . . . . . 324 VAL CB . 50628 1 38 . 1 . 1 13 13 SER H H 1 8.541 0.00 . . . . . . . 325 SER H . 50628 1 39 . 1 . 1 13 13 SER CA C 13 58.124 0.00 . . . . . . . 325 SER CA . 50628 1 40 . 1 . 1 13 13 SER CB C 13 63.752 0.00 . . . . . . . 325 SER CB . 50628 1 41 . 1 . 1 13 13 SER N N 15 119.439 0.08 . . . . . . . 325 SER N . 50628 1 42 . 1 . 1 15 15 SER CA C 13 58.834 0.00 . . . . . . . 327 SER CA . 50628 1 43 . 1 . 1 15 15 SER CB C 13 63.927 0.00 . . . . . . . 327 SER CB . 50628 1 44 . 1 . 1 16 16 GLY H H 1 8.453 0.00 . . . . . . . 328 GLY H . 50628 1 45 . 1 . 1 16 16 GLY C C 13 174.657 0.00 . . . . . . . 328 GLY C . 50628 1 46 . 1 . 1 16 16 GLY CA C 13 45.573 0.00 . . . . . . . 328 GLY CA . 50628 1 47 . 1 . 1 16 16 GLY N N 15 110.961 0.03 . . . . . . . 328 GLY N . 50628 1 48 . 1 . 1 17 17 GLY H H 1 8.280 0.00 . . . . . . . 329 GLY H . 50628 1 49 . 1 . 1 17 17 GLY C C 13 174.097 0.00 . . . . . . . 329 GLY C . 50628 1 50 . 1 . 1 17 17 GLY CA C 13 45.233 0.03 . . . . . . . 329 GLY CA . 50628 1 51 . 1 . 1 17 17 GLY N N 15 108.492 0.09 . . . . . . . 329 GLY N . 50628 1 52 . 1 . 1 18 18 GLN H H 1 8.261 0.01 . . . . . . . 330 GLN H . 50628 1 53 . 1 . 1 18 18 GLN C C 13 175.833 0.00 . . . . . . . 330 GLN C . 50628 1 54 . 1 . 1 18 18 GLN CA C 13 55.551 0.00 . . . . . . . 330 GLN CA . 50628 1 55 . 1 . 1 18 18 GLN CB C 13 29.514 0.00 . . . . . . . 330 GLN CB . 50628 1 56 . 1 . 1 18 18 GLN N N 15 119.699 0.05 . . . . . . . 330 GLN N . 50628 1 57 . 1 . 1 19 19 MET C C 13 175.531 0.00 . . . . . . . 331 MET C . 50628 1 58 . 1 . 1 19 19 MET CA C 13 55.418 0.00 . . . . . . . 331 MET CA . 50628 1 59 . 1 . 1 19 19 MET CB C 13 32.816 0.08 . . . . . . . 331 MET CB . 50628 1 60 . 1 . 1 20 20 TYR H H 1 8.148 0.00 . . . . . . . 332 TYR H . 50628 1 61 . 1 . 1 20 20 TYR C C 13 175.187 0.01 . . . . . . . 332 TYR C . 50628 1 62 . 1 . 1 20 20 TYR CA C 13 57.650 0.03 . . . . . . . 332 TYR CA . 50628 1 63 . 1 . 1 20 20 TYR CB C 13 38.936 0.05 . . . . . . . 332 TYR CB . 50628 1 64 . 1 . 1 20 20 TYR N N 15 120.838 0.05 . . . . . . . 332 TYR N . 50628 1 65 . 1 . 1 21 21 HIS H H 1 8.152 0.00 . . . . . . . 333 HIS H . 50628 1 66 . 1 . 1 21 21 HIS C C 13 174.423 0.00 . . . . . . . 333 HIS C . 50628 1 67 . 1 . 1 21 21 HIS CA C 13 55.945 0.00 . . . . . . . 333 HIS CA . 50628 1 68 . 1 . 1 21 21 HIS CB C 13 30.822 0.00 . . . . . . . 333 HIS CB . 50628 1 69 . 1 . 1 21 21 HIS N N 15 121.258 0.03 . . . . . . . 333 HIS N . 50628 1 70 . 1 . 1 22 22 TYR H H 1 7.988 0.01 . . . . . . . 334 TYR H . 50628 1 71 . 1 . 1 22 22 TYR C C 13 175.033 0.00 . . . . . . . 334 TYR C . 50628 1 72 . 1 . 1 22 22 TYR CA C 13 57.770 0.04 . . . . . . . 334 TYR CA . 50628 1 73 . 1 . 1 22 22 TYR CB C 13 38.823 0.11 . . . . . . . 334 TYR CB . 50628 1 74 . 1 . 1 22 22 TYR N N 15 121.702 0.06 . . . . . . . 334 TYR N . 50628 1 75 . 1 . 1 23 23 ASP H H 1 8.343 0.00 . . . . . . . 335 ASP H . 50628 1 76 . 1 . 1 23 23 ASP C C 13 176.041 0.11 . . . . . . . 335 ASP C . 50628 1 77 . 1 . 1 23 23 ASP CA C 13 54.068 0.00 . . . . . . . 335 ASP CA . 50628 1 78 . 1 . 1 23 23 ASP CB C 13 41.293 0.10 . . . . . . . 335 ASP CB . 50628 1 79 . 1 . 1 23 23 ASP N N 15 122.242 0.05 . . . . . . . 335 ASP N . 50628 1 80 . 1 . 1 24 24 MET H H 1 8.333 0.00 . . . . . . . 336 MET H . 50628 1 81 . 1 . 1 24 24 MET C C 13 176.381 0.00 . . . . . . . 336 MET C . 50628 1 82 . 1 . 1 24 24 MET CA C 13 56.188 0.00 . . . . . . . 336 MET CA . 50628 1 83 . 1 . 1 24 24 MET CB C 13 32.515 0.00 . . . . . . . 336 MET CB . 50628 1 84 . 1 . 1 24 24 MET N N 15 121.342 0.05 . . . . . . . 336 MET N . 50628 1 85 . 1 . 1 25 25 ASN H H 1 8.540 0.00 . . . . . . . 337 ASN H . 50628 1 86 . 1 . 1 25 25 ASN C C 13 175.807 0.00 . . . . . . . 337 ASN C . 50628 1 87 . 1 . 1 25 25 ASN CA C 13 53.989 0.01 . . . . . . . 337 ASN CA . 50628 1 88 . 1 . 1 25 25 ASN CB C 13 38.730 0.10 . . . . . . . 337 ASN CB . 50628 1 89 . 1 . 1 25 25 ASN N N 15 119.030 0.13 . . . . . . . 337 ASN N . 50628 1 90 . 1 . 1 26 26 THR H H 1 8.033 0.00 . . . . . . . 338 THR H . 50628 1 91 . 1 . 1 26 26 THR C C 13 174.766 0.00 . . . . . . . 338 THR C . 50628 1 92 . 1 . 1 26 26 THR CA C 13 62.431 0.12 . . . . . . . 338 THR CA . 50628 1 93 . 1 . 1 26 26 THR CB C 13 69.506 0.12 . . . . . . . 338 THR CB . 50628 1 94 . 1 . 1 26 26 THR N N 15 114.072 0.03 . . . . . . . 338 THR N . 50628 1 95 . 1 . 1 27 27 ALA H H 1 8.245 0.00 . . . . . . . 339 ALA H . 50628 1 96 . 1 . 1 27 27 ALA C C 13 178.060 0.03 . . . . . . . 339 ALA C . 50628 1 97 . 1 . 1 27 27 ALA CA C 13 53.106 0.12 . . . . . . . 339 ALA CA . 50628 1 98 . 1 . 1 27 27 ALA CB C 13 18.920 0.01 . . . . . . . 339 ALA CB . 50628 1 99 . 1 . 1 27 27 ALA N N 15 125.926 0.03 . . . . . . . 339 ALA N . 50628 1 100 . 1 . 1 28 28 SER H H 1 8.186 0.00 . . . . . . . 340 SER H . 50628 1 101 . 1 . 1 28 28 SER C C 13 174.743 0.00 . . . . . . . 340 SER C . 50628 1 102 . 1 . 1 28 28 SER CA C 13 58.518 0.14 . . . . . . . 340 SER CA . 50628 1 103 . 1 . 1 28 28 SER CB C 13 63.578 0.08 . . . . . . . 340 SER CB . 50628 1 104 . 1 . 1 28 28 SER N N 15 114.261 0.07 . . . . . . . 340 SER N . 50628 1 105 . 1 . 1 29 29 LEU H H 1 8.199 0.00 . . . . . . . 341 LEU H . 50628 1 106 . 1 . 1 29 29 LEU C C 13 177.886 0.00 . . . . . . . 341 LEU C . 50628 1 107 . 1 . 1 29 29 LEU CA C 13 55.658 0.00 . . . . . . . 341 LEU CA . 50628 1 108 . 1 . 1 29 29 LEU CB C 13 42.242 0.00 . . . . . . . 341 LEU CB . 50628 1 109 . 1 . 1 29 29 LEU N N 15 123.576 0.03 . . . . . . . 341 LEU N . 50628 1 110 . 1 . 1 30 30 SER H H 1 8.231 0.00 . . . . . . . 342 SER H . 50628 1 111 . 1 . 1 30 30 SER C C 13 174.814 0.00 . . . . . . . 342 SER C . 50628 1 112 . 1 . 1 30 30 SER CA C 13 58.686 0.16 . . . . . . . 342 SER CA . 50628 1 113 . 1 . 1 30 30 SER CB C 13 63.572 0.03 . . . . . . . 342 SER CB . 50628 1 114 . 1 . 1 30 30 SER N N 15 115.572 0.04 . . . . . . . 342 SER N . 50628 1 115 . 1 . 1 31 31 GLN H H 1 8.288 0.00 . . . . . . . 343 GLN H . 50628 1 116 . 1 . 1 31 31 GLN C C 13 175.990 0.00 . . . . . . . 343 GLN C . 50628 1 117 . 1 . 1 31 31 GLN CA C 13 56.109 0.00 . . . . . . . 343 GLN CA . 50628 1 118 . 1 . 1 31 31 GLN CB C 13 29.278 0.17 . . . . . . . 343 GLN CB . 50628 1 119 . 1 . 1 31 31 GLN N N 15 121.560 0.06 . . . . . . . 343 GLN N . 50628 1 120 . 1 . 1 32 32 GLN H H 1 8.342 0.00 . . . . . . . 344 GLN H . 50628 1 121 . 1 . 1 32 32 GLN C C 13 176.169 0.01 . . . . . . . 344 GLN C . 50628 1 122 . 1 . 1 32 32 GLN CA C 13 56.108 0.14 . . . . . . . 344 GLN CA . 50628 1 123 . 1 . 1 32 32 GLN CB C 13 29.245 0.11 . . . . . . . 344 GLN CB . 50628 1 124 . 1 . 1 32 32 GLN N N 15 120.862 0.04 . . . . . . . 344 GLN N . 50628 1 125 . 1 . 1 33 33 GLN H H 1 8.440 0.00 . . . . . . . 345 GLN H . 50628 1 126 . 1 . 1 33 33 GLN C C 13 175.783 0.04 . . . . . . . 345 GLN C . 50628 1 127 . 1 . 1 33 33 GLN CA C 13 56.186 0.11 . . . . . . . 345 GLN CA . 50628 1 128 . 1 . 1 33 33 GLN CB C 13 29.387 0.10 . . . . . . . 345 GLN CB . 50628 1 129 . 1 . 1 33 33 GLN N N 15 121.012 0.07 . . . . . . . 345 GLN N . 50628 1 130 . 1 . 1 34 34 ASP H H 1 8.391 0.00 . . . . . . . 346 ASP H . 50628 1 131 . 1 . 1 34 34 ASP C C 13 175.993 0.00 . . . . . . . 346 ASP C . 50628 1 132 . 1 . 1 34 34 ASP CA C 13 54.306 0.00 . . . . . . . 346 ASP CA . 50628 1 133 . 1 . 1 34 34 ASP CB C 13 41.053 0.06 . . . . . . . 346 ASP CB . 50628 1 134 . 1 . 1 34 34 ASP N N 15 120.881 0.04 . . . . . . . 346 ASP N . 50628 1 135 . 1 . 1 35 35 GLN H H 1 8.236 0.00 . . . . . . . 347 GLN H . 50628 1 136 . 1 . 1 35 35 GLN C C 13 175.650 0.00 . . . . . . . 347 GLN C . 50628 1 137 . 1 . 1 35 35 GLN CA C 13 55.425 0.15 . . . . . . . 347 GLN CA . 50628 1 138 . 1 . 1 35 35 GLN CB C 13 29.460 0.10 . . . . . . . 347 GLN CB . 50628 1 139 . 1 . 1 35 35 GLN N N 15 119.906 0.02 . . . . . . . 347 GLN N . 50628 1 140 . 1 . 1 36 36 LYS H H 1 8.312 0.00 . . . . . . . 348 LYS H . 50628 1 141 . 1 . 1 36 36 LYS CA C 13 54.354 0.00 . . . . . . . 348 LYS CA . 50628 1 142 . 1 . 1 36 36 LYS CB C 13 32.230 0.00 . . . . . . . 348 LYS CB . 50628 1 143 . 1 . 1 36 36 LYS N N 15 123.823 0.06 . . . . . . . 348 LYS N . 50628 1 144 . 1 . 1 37 37 PRO C C 13 176.402 0.00 . . . . . . . 349 PRO C . 50628 1 145 . 1 . 1 37 37 PRO CA C 13 63.019 0.02 . . . . . . . 349 PRO CA . 50628 1 146 . 1 . 1 37 37 PRO CB C 13 32.008 0.05 . . . . . . . 349 PRO CB . 50628 1 147 . 1 . 1 38 38 ILE H H 1 8.124 0.00 . . . . . . . 350 ILE H . 50628 1 148 . 1 . 1 38 38 ILE C C 13 175.821 0.00 . . . . . . . 350 ILE C . 50628 1 149 . 1 . 1 38 38 ILE CA C 13 61.073 0.01 . . . . . . . 350 ILE CA . 50628 1 150 . 1 . 1 38 38 ILE CB C 13 38.909 0.09 . . . . . . . 350 ILE CB . 50628 1 151 . 1 . 1 38 38 ILE N N 15 120.492 0.05 . . . . . . . 350 ILE N . 50628 1 152 . 1 . 1 39 39 PHE H H 1 8.230 0.00 . . . . . . . 351 PHE H . 50628 1 153 . 1 . 1 39 39 PHE C C 13 175.115 0.00 . . . . . . . 351 PHE C . 50628 1 154 . 1 . 1 39 39 PHE CA C 13 57.062 0.00 . . . . . . . 351 PHE CA . 50628 1 155 . 1 . 1 39 39 PHE CB C 13 39.925 0.15 . . . . . . . 351 PHE CB . 50628 1 156 . 1 . 1 39 39 PHE N N 15 123.730 0.05 . . . . . . . 351 PHE N . 50628 1 157 . 1 . 1 40 40 ASN H H 1 8.400 0.00 . . . . . . . 352 ASN H . 50628 1 158 . 1 . 1 40 40 ASN C C 13 174.328 0.00 . . . . . . . 352 ASN C . 50628 1 159 . 1 . 1 40 40 ASN CA C 13 53.065 0.04 . . . . . . . 352 ASN CA . 50628 1 160 . 1 . 1 40 40 ASN CB C 13 39.054 0.13 . . . . . . . 352 ASN CB . 50628 1 161 . 1 . 1 40 40 ASN N N 15 120.883 0.08 . . . . . . . 352 ASN N . 50628 1 162 . 1 . 1 41 41 VAL H H 1 8.084 0.00 . . . . . . . 353 VAL H . 50628 1 163 . 1 . 1 41 41 VAL C C 13 175.771 0.00 . . . . . . . 353 VAL C . 50628 1 164 . 1 . 1 41 41 VAL CA C 13 62.178 0.16 . . . . . . . 353 VAL CA . 50628 1 165 . 1 . 1 41 41 VAL CB C 13 32.883 0.14 . . . . . . . 353 VAL CB . 50628 1 166 . 1 . 1 41 41 VAL N N 15 120.790 0.03 . . . . . . . 353 VAL N . 50628 1 167 . 1 . 1 42 42 ILE H H 1 8.328 0.00 . . . . . . . 354 ILE H . 50628 1 168 . 1 . 1 42 42 ILE CA C 13 58.206 0.00 . . . . . . . 354 ILE CA . 50628 1 169 . 1 . 1 42 42 ILE CB C 13 38.330 0.00 . . . . . . . 354 ILE CB . 50628 1 170 . 1 . 1 42 42 ILE N N 15 127.263 0.04 . . . . . . . 354 ILE N . 50628 1 171 . 1 . 1 44 44 PRO C C 13 176.614 0.00 . . . . . . . 356 PRO C . 50628 1 172 . 1 . 1 44 44 PRO CA C 13 62.796 0.00 . . . . . . . 356 PRO CA . 50628 1 173 . 1 . 1 44 44 PRO CB C 13 31.943 0.00 . . . . . . . 356 PRO CB . 50628 1 174 . 1 . 1 45 45 ILE H H 1 8.100 0.00 . . . . . . . 357 ILE H . 50628 1 175 . 1 . 1 45 45 ILE CA C 13 58.409 0.00 . . . . . . . 357 ILE CA . 50628 1 176 . 1 . 1 45 45 ILE N N 15 121.892 0.03 . . . . . . . 357 ILE N . 50628 1 177 . 1 . 1 46 46 PRO C C 13 176.935 0.00 . . . . . . . 358 PRO C . 50628 1 178 . 1 . 1 46 46 PRO CA C 13 63.106 0.00 . . . . . . . 358 PRO CA . 50628 1 179 . 1 . 1 46 46 PRO CB C 13 31.988 0.00 . . . . . . . 358 PRO CB . 50628 1 180 . 1 . 1 47 47 VAL H H 1 8.327 0.00 . . . . . . . 359 VAL H . 50628 1 181 . 1 . 1 47 47 VAL C C 13 176.986 0.00 . . . . . . . 359 VAL C . 50628 1 182 . 1 . 1 47 47 VAL CA C 13 62.871 0.00 . . . . . . . 359 VAL CA . 50628 1 183 . 1 . 1 47 47 VAL CB C 13 32.494 0.32 . . . . . . . 359 VAL CB . 50628 1 184 . 1 . 1 47 47 VAL N N 15 121.600 0.06 . . . . . . . 359 VAL N . 50628 1 185 . 1 . 1 48 48 GLY H H 1 8.452 0.00 . . . . . . . 360 GLY H . 50628 1 186 . 1 . 1 48 48 GLY C C 13 174.451 0.00 . . . . . . . 360 GLY C . 50628 1 187 . 1 . 1 48 48 GLY CA C 13 45.151 0.11 . . . . . . . 360 GLY CA . 50628 1 188 . 1 . 1 48 48 GLY N N 15 113.246 0.04 . . . . . . . 360 GLY N . 50628 1 189 . 1 . 1 49 49 SER H H 1 8.110 0.00 . . . . . . . 361 SER H . 50628 1 190 . 1 . 1 49 49 SER C C 13 174.809 0.00 . . . . . . . 361 SER C . 50628 1 191 . 1 . 1 49 49 SER CA C 13 58.528 0.14 . . . . . . . 361 SER CA . 50628 1 192 . 1 . 1 49 49 SER CB C 13 63.732 0.15 . . . . . . . 361 SER CB . 50628 1 193 . 1 . 1 49 49 SER N N 15 115.546 0.04 . . . . . . . 361 SER N . 50628 1 194 . 1 . 1 50 50 GLU H H 1 8.791 0.00 . . . . . . . 362 GLU H . 50628 1 195 . 1 . 1 50 50 GLU C C 13 176.427 0.00 . . . . . . . 362 GLU C . 50628 1 196 . 1 . 1 50 50 GLU CA C 13 57.440 0.06 . . . . . . . 362 GLU CA . 50628 1 197 . 1 . 1 50 50 GLU CB C 13 29.497 0.08 . . . . . . . 362 GLU CB . 50628 1 198 . 1 . 1 50 50 GLU N N 15 122.440 0.06 . . . . . . . 362 GLU N . 50628 1 199 . 1 . 1 51 51 ASN H H 1 8.372 0.01 . . . . . . . 363 ASN H . 50628 1 200 . 1 . 1 51 51 ASN C C 13 175.278 0.00 . . . . . . . 363 ASN C . 50628 1 201 . 1 . 1 51 51 ASN CA C 13 53.517 0.04 . . . . . . . 363 ASN CA . 50628 1 202 . 1 . 1 51 51 ASN CB C 13 38.692 0.03 . . . . . . . 363 ASN CB . 50628 1 203 . 1 . 1 51 51 ASN N N 15 118.159 0.05 . . . . . . . 363 ASN N . 50628 1 204 . 1 . 1 52 52 TRP H H 1 7.925 0.00 . . . . . . . 364 TRP H . 50628 1 205 . 1 . 1 52 52 TRP C C 13 176.122 0.00 . . . . . . . 364 TRP C . 50628 1 206 . 1 . 1 52 52 TRP CA C 13 57.720 0.01 . . . . . . . 364 TRP CA . 50628 1 207 . 1 . 1 52 52 TRP CB C 13 29.132 0.07 . . . . . . . 364 TRP CB . 50628 1 208 . 1 . 1 52 52 TRP N N 15 120.876 0.05 . . . . . . . 364 TRP N . 50628 1 209 . 1 . 1 53 53 ASN H H 1 8.170 0.00 . . . . . . . 365 ASN H . 50628 1 210 . 1 . 1 53 53 ASN C C 13 175.126 0.00 . . . . . . . 365 ASN C . 50628 1 211 . 1 . 1 53 53 ASN CA C 13 53.176 0.13 . . . . . . . 365 ASN CA . 50628 1 212 . 1 . 1 53 53 ASN CB C 13 38.462 0.05 . . . . . . . 365 ASN CB . 50628 1 213 . 1 . 1 53 53 ASN N N 15 119.674 0.08 . . . . . . . 365 ASN N . 50628 1 214 . 1 . 1 54 54 ARG H H 1 8.015 0.00 . . . . . . . 366 ARG H . 50628 1 215 . 1 . 1 54 54 ARG C C 13 176.271 0.00 . . . . . . . 366 ARG C . 50628 1 216 . 1 . 1 54 54 ARG CA C 13 56.415 0.16 . . . . . . . 366 ARG CA . 50628 1 217 . 1 . 1 54 54 ARG CB C 13 30.557 0.00 . . . . . . . 366 ARG CB . 50628 1 218 . 1 . 1 54 54 ARG N N 15 120.650 0.02 . . . . . . . 366 ARG N . 50628 1 219 . 1 . 1 55 55 CYS H H 1 8.316 0.00 . . . . . . . 367 CYS H . 50628 1 220 . 1 . 1 55 55 CYS CA C 13 58.364 0.00 . . . . . . . 367 CYS CA . 50628 1 221 . 1 . 1 55 55 CYS CB C 13 27.944 0.02 . . . . . . . 367 CYS CB . 50628 1 222 . 1 . 1 55 55 CYS N N 15 119.569 0.14 . . . . . . . 367 CYS N . 50628 1 223 . 1 . 1 56 56 GLN H H 1 8.435 0.01 . . . . . . . 368 GLN H . 50628 1 224 . 1 . 1 56 56 GLN C C 13 176.349 0.00 . . . . . . . 368 GLN C . 50628 1 225 . 1 . 1 56 56 GLN CA C 13 56.347 0.00 . . . . . . . 368 GLN CA . 50628 1 226 . 1 . 1 56 56 GLN CB C 13 29.398 0.00 . . . . . . . 368 GLN CB . 50628 1 227 . 1 . 1 56 56 GLN N N 15 122.340 0.03 . . . . . . . 368 GLN N . 50628 1 228 . 1 . 1 57 57 GLY H H 1 8.496 0.00 . . . . . . . 369 GLY H . 50628 1 229 . 1 . 1 57 57 GLY C C 13 174.114 0.00 . . . . . . . 369 GLY C . 50628 1 230 . 1 . 1 57 57 GLY CA C 13 45.225 0.07 . . . . . . . 369 GLY CA . 50628 1 231 . 1 . 1 57 57 GLY N N 15 110.432 0.07 . . . . . . . 369 GLY N . 50628 1 232 . 1 . 1 58 58 SER H H 1 8.336 0.00 . . . . . . . 370 SER H . 50628 1 233 . 1 . 1 58 58 SER C C 13 175.103 0.00 . . . . . . . 370 SER C . 50628 1 234 . 1 . 1 58 58 SER CA C 13 58.386 0.16 . . . . . . . 370 SER CA . 50628 1 235 . 1 . 1 58 58 SER CB C 13 64.073 0.05 . . . . . . . 370 SER CB . 50628 1 236 . 1 . 1 58 58 SER N N 15 115.596 0.04 . . . . . . . 370 SER N . 50628 1 237 . 1 . 1 59 59 GLY H H 1 8.536 0.00 . . . . . . . 371 GLY H . 50628 1 238 . 1 . 1 59 59 GLY C C 13 173.951 0.00 . . . . . . . 371 GLY C . 50628 1 239 . 1 . 1 59 59 GLY CA C 13 45.336 0.10 . . . . . . . 371 GLY CA . 50628 1 240 . 1 . 1 59 59 GLY N N 15 111.016 0.02 . . . . . . . 371 GLY N . 50628 1 241 . 1 . 1 60 60 ASP H H 1 8.234 0.00 . . . . . . . 372 ASP H . 50628 1 242 . 1 . 1 60 60 ASP C C 13 176.174 0.00 . . . . . . . 372 ASP C . 50628 1 243 . 1 . 1 60 60 ASP CA C 13 54.465 0.20 . . . . . . . 372 ASP CA . 50628 1 244 . 1 . 1 60 60 ASP CB C 13 41.228 0.09 . . . . . . . 372 ASP CB . 50628 1 245 . 1 . 1 60 60 ASP N N 15 120.403 0.05 . . . . . . . 372 ASP N . 50628 1 246 . 1 . 1 61 61 ASP H H 1 8.369 0.00 . . . . . . . 373 ASP H . 50628 1 247 . 1 . 1 61 61 ASP C C 13 176.218 0.00 . . . . . . . 373 ASP C . 50628 1 248 . 1 . 1 61 61 ASP CA C 13 54.584 0.12 . . . . . . . 373 ASP CA . 50628 1 249 . 1 . 1 61 61 ASP CB C 13 41.003 0.04 . . . . . . . 373 ASP CB . 50628 1 250 . 1 . 1 61 61 ASP N N 15 120.556 0.04 . . . . . . . 373 ASP N . 50628 1 251 . 1 . 1 62 62 ASN H H 1 8.405 0.00 . . . . . . . 374 ASN H . 50628 1 252 . 1 . 1 62 62 ASN C C 13 175.451 0.00 . . . . . . . 374 ASN C . 50628 1 253 . 1 . 1 62 62 ASN CA C 13 53.682 0.07 . . . . . . . 374 ASN CA . 50628 1 254 . 1 . 1 62 62 ASN CB C 13 38.727 0.08 . . . . . . . 374 ASN CB . 50628 1 255 . 1 . 1 62 62 ASN N N 15 118.291 0.04 . . . . . . . 374 ASN N . 50628 1 256 . 1 . 1 63 63 LEU H H 1 8.219 0.00 . . . . . . . 375 LEU H . 50628 1 257 . 1 . 1 63 63 LEU C C 13 178.041 0.00 . . . . . . . 375 LEU C . 50628 1 258 . 1 . 1 63 63 LEU CA C 13 55.886 0.01 . . . . . . . 375 LEU CA . 50628 1 259 . 1 . 1 63 63 LEU CB C 13 42.085 0.12 . . . . . . . 375 LEU CB . 50628 1 260 . 1 . 1 63 63 LEU N N 15 121.400 0.03 . . . . . . . 375 LEU N . 50628 1 261 . 1 . 1 64 64 THR H H 1 8.140 0.00 . . . . . . . 376 THR H . 50628 1 262 . 1 . 1 64 64 THR C C 13 175.060 0.00 . . . . . . . 376 THR C . 50628 1 263 . 1 . 1 64 64 THR CA C 13 62.347 0.10 . . . . . . . 376 THR CA . 50628 1 264 . 1 . 1 64 64 THR CB C 13 69.652 0.00 . . . . . . . 376 THR CB . 50628 1 265 . 1 . 1 64 64 THR N N 15 113.582 0.06 . . . . . . . 376 THR N . 50628 1 266 . 1 . 1 65 65 SER H H 1 8.253 0.00 . . . . . . . 377 SER H . 50628 1 267 . 1 . 1 65 65 SER C C 13 174.743 0.00 . . . . . . . 377 SER C . 50628 1 268 . 1 . 1 65 65 SER N N 15 117.521 0.04 . . . . . . . 377 SER N . 50628 1 269 . 1 . 1 66 66 LEU H H 1 8.193 0.01 . . . . . . . 378 LEU H . 50628 1 270 . 1 . 1 66 66 LEU C C 13 178.011 0.00 . . . . . . . 378 LEU C . 50628 1 271 . 1 . 1 66 66 LEU CA C 13 55.695 0.00 . . . . . . . 378 LEU CA . 50628 1 272 . 1 . 1 66 66 LEU CB C 13 42.322 0.00 . . . . . . . 378 LEU CB . 50628 1 273 . 1 . 1 66 66 LEU N N 15 123.556 0.01 . . . . . . . 378 LEU N . 50628 1 274 . 1 . 1 67 67 GLY H H 1 8.339 0.00 . . . . . . . 379 GLY H . 50628 1 275 . 1 . 1 67 67 GLY C C 13 174.381 0.00 . . . . . . . 379 GLY C . 50628 1 276 . 1 . 1 67 67 GLY CA C 13 45.442 0.08 . . . . . . . 379 GLY CA . 50628 1 277 . 1 . 1 67 67 GLY N N 15 108.792 0.03 . . . . . . . 379 GLY N . 50628 1 278 . 1 . 1 68 68 THR H H 1 7.959 0.00 . . . . . . . 380 THR H . 50628 1 279 . 1 . 1 68 68 THR C C 13 174.743 0.00 . . . . . . . 380 THR C . 50628 1 280 . 1 . 1 68 68 THR CA C 13 61.856 0.07 . . . . . . . 380 THR CA . 50628 1 281 . 1 . 1 68 68 THR CB C 13 69.778 0.04 . . . . . . . 380 THR CB . 50628 1 282 . 1 . 1 68 68 THR N N 15 113.318 0.04 . . . . . . . 380 THR N . 50628 1 283 . 1 . 1 69 69 LEU H H 1 8.199 0.00 . . . . . . . 381 LEU H . 50628 1 284 . 1 . 1 69 69 LEU C C 13 176.739 0.00 . . . . . . . 381 LEU C . 50628 1 285 . 1 . 1 69 69 LEU CA C 13 55.467 0.07 . . . . . . . 381 LEU CA . 50628 1 286 . 1 . 1 69 69 LEU CB C 13 42.213 0.11 . . . . . . . 381 LEU CB . 50628 1 287 . 1 . 1 69 69 LEU N N 15 123.605 0.04 . . . . . . . 381 LEU N . 50628 1 288 . 1 . 1 70 70 ASN H H 1 8.248 0.00 . . . . . . . 382 ASN H . 50628 1 289 . 1 . 1 70 70 ASN C C 13 174.093 0.00 . . . . . . . 382 ASN C . 50628 1 290 . 1 . 1 70 70 ASN CA C 13 52.969 0.04 . . . . . . . 382 ASN CA . 50628 1 291 . 1 . 1 70 70 ASN CB C 13 39.048 0.07 . . . . . . . 382 ASN CB . 50628 1 292 . 1 . 1 70 70 ASN N N 15 118.619 0.06 . . . . . . . 382 ASN N . 50628 1 293 . 1 . 1 71 71 PHE H H 1 8.095 0.00 . . . . . . . 383 PHE H . 50628 1 294 . 1 . 1 71 71 PHE CA C 13 55.671 0.00 . . . . . . . 383 PHE CA . 50628 1 295 . 1 . 1 71 71 PHE CB C 13 38.974 0.00 . . . . . . . 383 PHE CB . 50628 1 296 . 1 . 1 71 71 PHE N N 15 121.365 0.03 . . . . . . . 383 PHE N . 50628 1 297 . 1 . 1 72 72 PRO C C 13 177.400 0.00 . . . . . . . 384 PRO C . 50628 1 298 . 1 . 1 72 72 PRO CA C 13 63.605 0.06 . . . . . . . 384 PRO CA . 50628 1 299 . 1 . 1 72 72 PRO CB C 13 31.891 0.00 . . . . . . . 384 PRO CB . 50628 1 300 . 1 . 1 73 73 GLY H H 1 8.206 0.00 . . . . . . . 385 GLY H . 50628 1 301 . 1 . 1 73 73 GLY C C 13 173.939 0.00 . . . . . . . 385 GLY C . 50628 1 302 . 1 . 1 73 73 GLY CA C 13 45.289 0.13 . . . . . . . 385 GLY CA . 50628 1 303 . 1 . 1 73 73 GLY N N 15 108.882 0.04 . . . . . . . 385 GLY N . 50628 1 304 . 1 . 1 74 74 ARG H H 1 8.066 0.00 . . . . . . . 386 ARG H . 50628 1 305 . 1 . 1 74 74 ARG C C 13 176.270 0.00 . . . . . . . 386 ARG C . 50628 1 306 . 1 . 1 74 74 ARG CA C 13 56.245 0.04 . . . . . . . 386 ARG CA . 50628 1 307 . 1 . 1 74 74 ARG CB C 13 30.756 0.09 . . . . . . . 386 ARG CB . 50628 1 308 . 1 . 1 74 74 ARG N N 15 120.432 0.04 . . . . . . . 386 ARG N . 50628 1 309 . 1 . 1 75 75 THR H H 1 8.297 0.01 . . . . . . . 387 THR H . 50628 1 310 . 1 . 1 75 75 THR C C 13 174.129 0.00 . . . . . . . 387 THR C . 50628 1 311 . 1 . 1 75 75 THR CA C 13 62.010 0.23 . . . . . . . 387 THR CA . 50628 1 312 . 1 . 1 75 75 THR CB C 13 70.006 0.06 . . . . . . . 387 THR CB . 50628 1 313 . 1 . 1 75 75 THR N N 15 116.256 0.05 . . . . . . . 387 THR N . 50628 1 314 . 1 . 1 76 76 VAL H H 1 8.103 0.00 . . . . . . . 388 VAL H . 50628 1 315 . 1 . 1 76 76 VAL C C 13 175.581 0.03 . . . . . . . 388 VAL C . 50628 1 316 . 1 . 1 76 76 VAL CA C 13 61.958 0.23 . . . . . . . 388 VAL CA . 50628 1 317 . 1 . 1 76 76 VAL CB C 13 32.679 0.00 . . . . . . . 388 VAL CB . 50628 1 318 . 1 . 1 76 76 VAL N N 15 122.267 0.08 . . . . . . . 388 VAL N . 50628 1 319 . 1 . 1 77 77 PHE H H 1 8.352 0.00 . . . . . . . 389 PHE H . 50628 1 320 . 1 . 1 77 77 PHE C C 13 175.102 0.00 . . . . . . . 389 PHE C . 50628 1 321 . 1 . 1 77 77 PHE CA C 13 57.577 0.00 . . . . . . . 389 PHE CA . 50628 1 322 . 1 . 1 77 77 PHE CB C 13 39.746 0.00 . . . . . . . 389 PHE CB . 50628 1 323 . 1 . 1 77 77 PHE N N 15 123.825 0.06 . . . . . . . 389 PHE N . 50628 1 324 . 1 . 1 78 78 SER H H 1 8.252 0.00 . . . . . . . 390 SER H . 50628 1 325 . 1 . 1 78 78 SER CA C 13 58.286 0.00 . . . . . . . 390 SER CA . 50628 1 326 . 1 . 1 78 78 SER CB C 13 63.650 0.00 . . . . . . . 390 SER CB . 50628 1 327 . 1 . 1 78 78 SER N N 15 117.627 0.03 . . . . . . . 390 SER N . 50628 1 328 . 1 . 1 79 79 ASN CB C 13 38.832 0.00 . . . . . . . 391 ASN CB . 50628 1 329 . 1 . 1 80 80 GLY H H 1 8.309 0.01 . . . . . . . 392 GLY H . 50628 1 330 . 1 . 1 80 80 GLY CA C 13 45.367 0.07 . . . . . . . 392 GLY CA . 50628 1 331 . 1 . 1 80 80 GLY N N 15 108.544 0.11 . . . . . . . 392 GLY N . 50628 1 332 . 1 . 1 81 81 TYR H H 1 8.034 0.00 . . . . . . . 393 TYR H . 50628 1 333 . 1 . 1 81 81 TYR C C 13 175.689 0.01 . . . . . . . 393 TYR C . 50628 1 334 . 1 . 1 81 81 TYR CA C 13 57.988 0.01 . . . . . . . 393 TYR CA . 50628 1 335 . 1 . 1 81 81 TYR CB C 13 38.945 0.00 . . . . . . . 393 TYR CB . 50628 1 336 . 1 . 1 81 81 TYR N N 15 120.031 0.04 . . . . . . . 393 TYR N . 50628 1 337 . 1 . 1 82 82 SER H H 1 8.154 0.01 . . . . . . . 394 SER H . 50628 1 338 . 1 . 1 82 82 SER C C 13 173.693 0.00 . . . . . . . 394 SER C . 50628 1 339 . 1 . 1 82 82 SER CA C 13 57.871 0.10 . . . . . . . 394 SER CA . 50628 1 340 . 1 . 1 82 82 SER CB C 13 63.952 0.17 . . . . . . . 394 SER CB . 50628 1 341 . 1 . 1 82 82 SER N N 15 117.824 0.05 . . . . . . . 394 SER N . 50628 1 342 . 1 . 1 83 83 SER H H 1 8.215 0.01 . . . . . . . 395 SER H . 50628 1 343 . 1 . 1 83 83 SER CA C 13 56.252 0.06 . . . . . . . 395 SER CA . 50628 1 344 . 1 . 1 83 83 SER CB C 13 63.519 0.00 . . . . . . . 395 SER CB . 50628 1 345 . 1 . 1 83 83 SER N N 15 118.554 0.04 . . . . . . . 395 SER N . 50628 1 346 . 1 . 1 84 84 PRO CA C 13 63.567 0.25 . . . . . . . 396 PRO CA . 50628 1 347 . 1 . 1 84 84 PRO CB C 13 32.091 0.00 . . . . . . . 396 PRO CB . 50628 1 348 . 1 . 1 85 85 SER H H 1 8.280 0.01 . . . . . . . 397 SER H . 50628 1 349 . 1 . 1 85 85 SER C C 13 174.566 0.00 . . . . . . . 397 SER C . 50628 1 350 . 1 . 1 85 85 SER CA C 13 58.518 0.19 . . . . . . . 397 SER CA . 50628 1 351 . 1 . 1 85 85 SER CB C 13 63.679 0.00 . . . . . . . 397 SER CB . 50628 1 352 . 1 . 1 85 85 SER N N 15 114.857 0.04 . . . . . . . 397 SER N . 50628 1 353 . 1 . 1 86 86 MET H H 1 8.239 0.00 . . . . . . . 398 MET H . 50628 1 354 . 1 . 1 86 86 MET C C 13 175.701 0.02 . . . . . . . 398 MET C . 50628 1 355 . 1 . 1 86 86 MET CA C 13 55.237 0.00 . . . . . . . 398 MET CA . 50628 1 356 . 1 . 1 86 86 MET CB C 13 32.880 0.00 . . . . . . . 398 MET CB . 50628 1 357 . 1 . 1 86 86 MET N N 15 121.776 0.11 . . . . . . . 398 MET N . 50628 1 358 . 1 . 1 87 87 ARG H H 1 8.251 0.00 . . . . . . . 399 ARG H . 50628 1 359 . 1 . 1 87 87 ARG C C 13 174.283 0.00 . . . . . . . 399 ARG C . 50628 1 360 . 1 . 1 87 87 ARG CA C 13 54.105 0.00 . . . . . . . 399 ARG CA . 50628 1 361 . 1 . 1 87 87 ARG CB C 13 30.194 0.00 . . . . . . . 399 ARG CB . 50628 1 362 . 1 . 1 87 87 ARG N N 15 123.017 0.05 . . . . . . . 399 ARG N . 50628 1 363 . 1 . 1 88 88 PRO C C 13 176.389 0.00 . . . . . . . 400 PRO C . 50628 1 364 . 1 . 1 88 88 PRO CA C 13 63.239 0.01 . . . . . . . 400 PRO CA . 50628 1 365 . 1 . 1 88 88 PRO CB C 13 32.077 0.06 . . . . . . . 400 PRO CB . 50628 1 366 . 1 . 1 89 89 ASP H H 1 8.496 0.00 . . . . . . . 401 ASP H . 50628 1 367 . 1 . 1 89 89 ASP C C 13 176.339 0.00 . . . . . . . 401 ASP C . 50628 1 368 . 1 . 1 89 89 ASP CA C 13 54.183 0.06 . . . . . . . 401 ASP CA . 50628 1 369 . 1 . 1 89 89 ASP CB C 13 40.950 0.08 . . . . . . . 401 ASP CB . 50628 1 370 . 1 . 1 89 89 ASP N N 15 120.054 0.06 . . . . . . . 401 ASP N . 50628 1 371 . 1 . 1 90 90 VAL H H 1 8.048 0.00 . . . . . . . 402 VAL H . 50628 1 372 . 1 . 1 90 90 VAL C C 13 176.126 0.00 . . . . . . . 402 VAL C . 50628 1 373 . 1 . 1 90 90 VAL CA C 13 61.927 0.25 . . . . . . . 402 VAL CA . 50628 1 374 . 1 . 1 90 90 VAL CB C 13 32.895 0.00 . . . . . . . 402 VAL CB . 50628 1 375 . 1 . 1 90 90 VAL N N 15 119.489 0.07 . . . . . . . 402 VAL N . 50628 1 376 . 1 . 1 91 91 SER H H 1 8.413 0.00 . . . . . . . 403 SER H . 50628 1 377 . 1 . 1 91 91 SER CA C 13 58.219 0.00 . . . . . . . 403 SER CA . 50628 1 378 . 1 . 1 91 91 SER CB C 13 63.718 0.00 . . . . . . . 403 SER CB . 50628 1 379 . 1 . 1 91 91 SER N N 15 119.142 0.03 . . . . . . . 403 SER N . 50628 1 380 . 1 . 1 94 94 PRO C C 13 177.042 0.00 . . . . . . . 406 PRO C . 50628 1 381 . 1 . 1 94 94 PRO CA C 13 63.053 0.00 . . . . . . . 406 PRO CA . 50628 1 382 . 1 . 1 94 94 PRO CB C 13 31.981 0.00 . . . . . . . 406 PRO CB . 50628 1 383 . 1 . 1 95 95 SER H H 1 8.496 0.00 . . . . . . . 407 SER H . 50628 1 384 . 1 . 1 95 95 SER N N 15 116.127 0.05 . . . . . . . 407 SER N . 50628 1 385 . 1 . 1 98 98 SER CA C 13 58.652 0.00 . . . . . . . 410 SER CA . 50628 1 386 . 1 . 1 98 98 SER CB C 13 63.771 0.00 . . . . . . . 410 SER CB . 50628 1 387 . 1 . 1 99 99 THR H H 1 8.193 0.01 . . . . . . . 411 THR H . 50628 1 388 . 1 . 1 99 99 THR C C 13 174.352 0.00 . . . . . . . 411 THR C . 50628 1 389 . 1 . 1 99 99 THR CA C 13 62.057 0.00 . . . . . . . 411 THR CA . 50628 1 390 . 1 . 1 99 99 THR CB C 13 69.715 0.00 . . . . . . . 411 THR CB . 50628 1 391 . 1 . 1 99 99 THR N N 15 115.711 0.05 . . . . . . . 411 THR N . 50628 1 392 . 1 . 1 100 100 ALA H H 1 8.289 0.00 . . . . . . . 412 ALA H . 50628 1 393 . 1 . 1 100 100 ALA C C 13 177.906 0.00 . . . . . . . 412 ALA C . 50628 1 394 . 1 . 1 100 100 ALA CA C 13 52.647 0.13 . . . . . . . 412 ALA CA . 50628 1 395 . 1 . 1 100 100 ALA CB C 13 19.193 0.03 . . . . . . . 412 ALA CB . 50628 1 396 . 1 . 1 100 100 ALA N N 15 126.436 0.05 . . . . . . . 412 ALA N . 50628 1 397 . 1 . 1 101 101 THR H H 1 8.239 0.00 . . . . . . . 413 THR H . 50628 1 398 . 1 . 1 101 101 THR CA C 13 61.886 0.00 . . . . . . . 413 THR CA . 50628 1 399 . 1 . 1 101 101 THR CB C 13 69.522 0.00 . . . . . . . 413 THR CB . 50628 1 400 . 1 . 1 101 101 THR N N 15 113.392 0.03 . . . . . . . 413 THR N . 50628 1 401 . 1 . 1 102 102 THR C C 13 174.598 0.00 . . . . . . . 414 THR C . 50628 1 402 . 1 . 1 102 102 THR CA C 13 61.784 0.00 . . . . . . . 414 THR CA . 50628 1 403 . 1 . 1 102 102 THR CB C 13 69.995 0.00 . . . . . . . 414 THR CB . 50628 1 404 . 1 . 1 103 103 GLY H H 1 8.254 0.00 . . . . . . . 415 GLY H . 50628 1 405 . 1 . 1 103 103 GLY CA C 13 44.423 0.00 . . . . . . . 415 GLY CA . 50628 1 406 . 1 . 1 103 103 GLY N N 15 111.292 0.09 . . . . . . . 415 GLY N . 50628 1 407 . 1 . 1 106 106 PRO C C 13 176.589 0.00 . . . . . . . 418 PRO C . 50628 1 408 . 1 . 1 106 106 PRO CA C 13 62.826 0.00 . . . . . . . 418 PRO CA . 50628 1 409 . 1 . 1 106 106 PRO CB C 13 32.178 0.00 . . . . . . . 418 PRO CB . 50628 1 410 . 1 . 1 107 107 LYS H H 1 8.540 0.00 . . . . . . . 419 LYS H . 50628 1 411 . 1 . 1 107 107 LYS C C 13 175.500 0.00 . . . . . . . 419 LYS C . 50628 1 412 . 1 . 1 107 107 LYS N N 15 121.441 0.04 . . . . . . . 419 LYS N . 50628 1 413 . 1 . 1 108 108 LEU H H 1 7.963 0.00 . . . . . . . 420 LEU H . 50628 1 414 . 1 . 1 108 108 LEU C C 13 175.684 0.00 . . . . . . . 420 LEU C . 50628 1 415 . 1 . 1 108 108 LEU N N 15 122.179 0.03 . . . . . . . 420 LEU N . 50628 1 416 . 1 . 1 109 109 CYS H H 1 9.404 0.00 . . . . . . . 421 CYS H . 50628 1 417 . 1 . 1 109 109 CYS C C 13 178.085 0.00 . . . . . . . 421 CYS C . 50628 1 418 . 1 . 1 109 109 CYS N N 15 121.558 0.06 . . . . . . . 421 CYS N . 50628 1 419 . 1 . 1 110 110 LEU H H 1 8.764 0.00 . . . . . . . 422 LEU H . 50628 1 420 . 1 . 1 110 110 LEU C C 13 176.491 0.00 . . . . . . . 422 LEU C . 50628 1 421 . 1 . 1 110 110 LEU N N 15 132.509 0.01 . . . . . . . 422 LEU N . 50628 1 422 . 1 . 1 111 111 VAL H H 1 9.082 0.00 . . . . . . . 423 VAL H . 50628 1 423 . 1 . 1 111 111 VAL C C 13 176.107 0.00 . . . . . . . 423 VAL C . 50628 1 424 . 1 . 1 111 111 VAL N N 15 121.697 0.11 . . . . . . . 423 VAL N . 50628 1 425 . 1 . 1 112 112 CYS H H 1 8.506 0.00 . . . . . . . 424 CYS H . 50628 1 426 . 1 . 1 112 112 CYS C C 13 175.318 0.00 . . . . . . . 424 CYS C . 50628 1 427 . 1 . 1 112 112 CYS N N 15 117.874 0.02 . . . . . . . 424 CYS N . 50628 1 428 . 1 . 1 113 113 SER H H 1 7.813 0.00 . . . . . . . 425 SER H . 50628 1 429 . 1 . 1 113 113 SER C C 13 172.792 0.00 . . . . . . . 425 SER C . 50628 1 430 . 1 . 1 113 113 SER N N 15 112.456 0.01 . . . . . . . 425 SER N . 50628 1 431 . 1 . 1 114 114 ASP H H 1 8.768 0.00 . . . . . . . 426 ASP H . 50628 1 432 . 1 . 1 114 114 ASP C C 13 174.500 0.00 . . . . . . . 426 ASP C . 50628 1 433 . 1 . 1 114 114 ASP N N 15 120.219 0.04 . . . . . . . 426 ASP N . 50628 1 434 . 1 . 1 115 115 GLU H H 1 8.918 0.00 . . . . . . . 427 GLU H . 50628 1 435 . 1 . 1 115 115 GLU C C 13 176.318 0.00 . . . . . . . 427 GLU C . 50628 1 436 . 1 . 1 115 115 GLU N N 15 122.029 0.02 . . . . . . . 427 GLU N . 50628 1 437 . 1 . 1 116 116 ALA H H 1 8.608 0.00 . . . . . . . 428 ALA H . 50628 1 438 . 1 . 1 116 116 ALA C C 13 176.991 0.00 . . . . . . . 428 ALA C . 50628 1 439 . 1 . 1 116 116 ALA N N 15 126.024 0.08 . . . . . . . 428 ALA N . 50628 1 440 . 1 . 1 117 117 SER H H 1 9.182 0.00 . . . . . . . 429 SER H . 50628 1 441 . 1 . 1 117 117 SER C C 13 174.784 0.00 . . . . . . . 429 SER C . 50628 1 442 . 1 . 1 117 117 SER CB C 13 64.881 0.00 . . . . . . . 429 SER CB . 50628 1 443 . 1 . 1 117 117 SER N N 15 114.904 0.05 . . . . . . . 429 SER N . 50628 1 444 . 1 . 1 118 118 GLY H H 1 7.716 0.00 . . . . . . . 430 GLY H . 50628 1 445 . 1 . 1 118 118 GLY CA C 13 44.584 0.00 . . . . . . . 430 GLY CA . 50628 1 446 . 1 . 1 118 118 GLY N N 15 109.125 0.05 . . . . . . . 430 GLY N . 50628 1 447 . 1 . 1 120 120 HIS H H 1 8.763 0.00 . . . . . . . 432 HIS H . 50628 1 448 . 1 . 1 120 120 HIS C C 13 174.083 0.00 . . . . . . . 432 HIS C . 50628 1 449 . 1 . 1 120 120 HIS N N 15 126.779 0.00 . . . . . . . 432 HIS N . 50628 1 450 . 1 . 1 121 121 TYR H H 1 8.973 0.00 . . . . . . . 433 TYR H . 50628 1 451 . 1 . 1 121 121 TYR N N 15 119.285 0.03 . . . . . . . 433 TYR N . 50628 1 452 . 1 . 1 122 122 GLY H H 1 8.267 0.00 . . . . . . . 434 GLY H . 50628 1 453 . 1 . 1 122 122 GLY C C 13 174.790 0.00 . . . . . . . 434 GLY C . 50628 1 454 . 1 . 1 122 122 GLY CA C 13 44.792 0.00 . . . . . . . 434 GLY CA . 50628 1 455 . 1 . 1 122 122 GLY N N 15 101.276 0.00 . . . . . . . 434 GLY N . 50628 1 456 . 1 . 1 123 123 VAL H H 1 7.595 0.00 . . . . . . . 435 VAL H . 50628 1 457 . 1 . 1 123 123 VAL C C 13 174.567 0.00 . . . . . . . 435 VAL C . 50628 1 458 . 1 . 1 123 123 VAL N N 15 118.666 0.07 . . . . . . . 435 VAL N . 50628 1 459 . 1 . 1 124 124 LEU H H 1 8.361 0.00 . . . . . . . 436 LEU H . 50628 1 460 . 1 . 1 124 124 LEU C C 13 175.134 0.00 . . . . . . . 436 LEU C . 50628 1 461 . 1 . 1 124 124 LEU N N 15 128.202 0.07 . . . . . . . 436 LEU N . 50628 1 462 . 1 . 1 125 125 THR H H 1 8.592 0.00 . . . . . . . 437 THR H . 50628 1 463 . 1 . 1 125 125 THR C C 13 175.275 0.00 . . . . . . . 437 THR C . 50628 1 464 . 1 . 1 125 125 THR N N 15 116.443 0.09 . . . . . . . 437 THR N . 50628 1 465 . 1 . 1 126 126 CYS H H 1 9.276 0.00 . . . . . . . 438 CYS H . 50628 1 466 . 1 . 1 126 126 CYS N N 15 117.662 0.00 . . . . . . . 438 CYS N . 50628 1 467 . 1 . 1 127 127 GLY H H 1 9.087 0.00 . . . . . . . 439 GLY H . 50628 1 468 . 1 . 1 127 127 GLY C C 13 175.604 0.00 . . . . . . . 439 GLY C . 50628 1 469 . 1 . 1 127 127 GLY N N 15 108.230 0.00 . . . . . . . 439 GLY N . 50628 1 470 . 1 . 1 128 128 SER H H 1 8.112 0.00 . . . . . . . 440 SER H . 50628 1 471 . 1 . 1 128 128 SER N N 15 117.011 0.05 . . . . . . . 440 SER N . 50628 1 472 . 1 . 1 129 129 CYS H H 1 9.617 0.00 . . . . . . . 441 CYS H . 50628 1 473 . 1 . 1 129 129 CYS C C 13 176.802 0.00 . . . . . . . 441 CYS C . 50628 1 474 . 1 . 1 129 129 CYS N N 15 125.669 0.00 . . . . . . . 441 CYS N . 50628 1 475 . 1 . 1 130 130 LYS H H 1 7.783 0.00 . . . . . . . 442 LYS H . 50628 1 476 . 1 . 1 130 130 LYS C C 13 177.236 0.00 . . . . . . . 442 LYS C . 50628 1 477 . 1 . 1 130 130 LYS N N 15 119.612 0.06 . . . . . . . 442 LYS N . 50628 1 478 . 1 . 1 131 131 VAL H H 1 7.562 0.00 . . . . . . . 443 VAL H . 50628 1 479 . 1 . 1 131 131 VAL N N 15 116.821 0.03 . . . . . . . 443 VAL N . 50628 1 480 . 1 . 1 132 132 PHE H H 1 8.427 0.00 . . . . . . . 444 PHE H . 50628 1 481 . 1 . 1 132 132 PHE C C 13 176.920 0.00 . . . . . . . 444 PHE C . 50628 1 482 . 1 . 1 132 132 PHE N N 15 120.739 0.00 . . . . . . . 444 PHE N . 50628 1 483 . 1 . 1 133 133 PHE H H 1 8.725 0.00 . . . . . . . 445 PHE H . 50628 1 484 . 1 . 1 133 133 PHE C C 13 175.527 0.00 . . . . . . . 445 PHE C . 50628 1 485 . 1 . 1 133 133 PHE N N 15 120.873 0.05 . . . . . . . 445 PHE N . 50628 1 486 . 1 . 1 134 134 LYS H H 1 7.851 0.00 . . . . . . . 446 LYS H . 50628 1 487 . 1 . 1 134 134 LYS C C 13 177.976 0.00 . . . . . . . 446 LYS C . 50628 1 488 . 1 . 1 134 134 LYS N N 15 117.773 0.04 . . . . . . . 446 LYS N . 50628 1 489 . 1 . 1 135 135 ARG H H 1 7.907 0.00 . . . . . . . 447 ARG H . 50628 1 490 . 1 . 1 135 135 ARG C C 13 179.156 0.00 . . . . . . . 447 ARG C . 50628 1 491 . 1 . 1 135 135 ARG N N 15 115.413 0.06 . . . . . . . 447 ARG N . 50628 1 492 . 1 . 1 136 136 ALA H H 1 7.830 0.00 . . . . . . . 448 ALA H . 50628 1 493 . 1 . 1 136 136 ALA C C 13 179.724 0.00 . . . . . . . 448 ALA C . 50628 1 494 . 1 . 1 136 136 ALA N N 15 122.863 0.03 . . . . . . . 448 ALA N . 50628 1 495 . 1 . 1 137 137 VAL H H 1 7.940 0.00 . . . . . . . 449 VAL H . 50628 1 496 . 1 . 1 137 137 VAL N N 15 116.394 0.03 . . . . . . . 449 VAL N . 50628 1 497 . 1 . 1 138 138 GLU H H 1 8.195 0.00 . . . . . . . 450 GLU H . 50628 1 498 . 1 . 1 138 138 GLU N N 15 119.687 0.00 . . . . . . . 450 GLU N . 50628 1 499 . 1 . 1 139 139 GLY H H 1 7.589 0.00 . . . . . . . 451 GLY H . 50628 1 500 . 1 . 1 139 139 GLY C C 13 172.928 0.00 . . . . . . . 451 GLY C . 50628 1 501 . 1 . 1 139 139 GLY CA C 13 44.833 0.00 . . . . . . . 451 GLY CA . 50628 1 502 . 1 . 1 139 139 GLY N N 15 104.847 0.00 . . . . . . . 451 GLY N . 50628 1 503 . 1 . 1 140 140 GLN H H 1 7.581 0.00 . . . . . . . 452 GLN H . 50628 1 504 . 1 . 1 140 140 GLN C C 13 175.326 0.00 . . . . . . . 452 GLN C . 50628 1 505 . 1 . 1 140 140 GLN N N 15 116.908 0.01 . . . . . . . 452 GLN N . 50628 1 506 . 1 . 1 141 141 HIS H H 1 7.749 0.00 . . . . . . . 453 HIS H . 50628 1 507 . 1 . 1 141 141 HIS N N 15 117.099 0.05 . . . . . . . 453 HIS N . 50628 1 508 . 1 . 1 143 143 TYR H H 1 8.099 0.00 . . . . . . . 455 TYR H . 50628 1 509 . 1 . 1 143 143 TYR C C 13 175.536 0.00 . . . . . . . 455 TYR C . 50628 1 510 . 1 . 1 143 143 TYR N N 15 121.268 0.00 . . . . . . . 455 TYR N . 50628 1 511 . 1 . 1 144 144 LEU H H 1 8.814 0.00 . . . . . . . 456 LEU H . 50628 1 512 . 1 . 1 144 144 LEU C C 13 176.217 0.00 . . . . . . . 456 LEU C . 50628 1 513 . 1 . 1 144 144 LEU N N 15 123.166 0.07 . . . . . . . 456 LEU N . 50628 1 514 . 1 . 1 145 145 CYS H H 1 9.050 0.00 . . . . . . . 457 CYS H . 50628 1 515 . 1 . 1 145 145 CYS C C 13 176.046 0.00 . . . . . . . 457 CYS C . 50628 1 516 . 1 . 1 145 145 CYS N N 15 130.064 0.04 . . . . . . . 457 CYS N . 50628 1 517 . 1 . 1 146 146 ALA H H 1 9.497 0.00 . . . . . . . 458 ALA H . 50628 1 518 . 1 . 1 146 146 ALA C C 13 177.370 0.00 . . . . . . . 458 ALA C . 50628 1 519 . 1 . 1 146 146 ALA N N 15 133.395 0.05 . . . . . . . 458 ALA N . 50628 1 520 . 1 . 1 147 147 GLY H H 1 9.854 0.00 . . . . . . . 459 GLY H . 50628 1 521 . 1 . 1 147 147 GLY C C 13 173.962 0.00 . . . . . . . 459 GLY C . 50628 1 522 . 1 . 1 147 147 GLY N N 15 115.608 0.05 . . . . . . . 459 GLY N . 50628 1 523 . 1 . 1 148 148 ARG H H 1 8.812 0.00 . . . . . . . 460 ARG H . 50628 1 524 . 1 . 1 148 148 ARG C C 13 175.154 0.00 . . . . . . . 460 ARG C . 50628 1 525 . 1 . 1 148 148 ARG N N 15 126.847 0.08 . . . . . . . 460 ARG N . 50628 1 526 . 1 . 1 149 149 ASN H H 1 9.254 0.00 . . . . . . . 461 ASN H . 50628 1 527 . 1 . 1 149 149 ASN C C 13 174.540 0.00 . . . . . . . 461 ASN C . 50628 1 528 . 1 . 1 149 149 ASN N N 15 118.336 0.02 . . . . . . . 461 ASN N . 50628 1 529 . 1 . 1 150 150 ASP H H 1 8.174 0.00 . . . . . . . 462 ASP H . 50628 1 530 . 1 . 1 150 150 ASP N N 15 116.331 0.09 . . . . . . . 462 ASP N . 50628 1 531 . 1 . 1 151 151 CYS H H 1 8.394 0.00 . . . . . . . 463 CYS H . 50628 1 532 . 1 . 1 151 151 CYS N N 15 124.091 0.00 . . . . . . . 463 CYS N . 50628 1 533 . 1 . 1 152 152 ILE H H 1 8.323 0.00 . . . . . . . 464 ILE H . 50628 1 534 . 1 . 1 152 152 ILE C C 13 174.806 0.00 . . . . . . . 464 ILE C . 50628 1 535 . 1 . 1 152 152 ILE N N 15 122.846 0.00 . . . . . . . 464 ILE N . 50628 1 536 . 1 . 1 153 153 ILE H H 1 8.562 0.00 . . . . . . . 465 ILE H . 50628 1 537 . 1 . 1 153 153 ILE N N 15 128.000 0.04 . . . . . . . 465 ILE N . 50628 1 538 . 1 . 1 154 154 ASP H H 1 6.572 0.00 . . . . . . . 466 ASP H . 50628 1 539 . 1 . 1 154 154 ASP C C 13 177.092 0.00 . . . . . . . 466 ASP C . 50628 1 540 . 1 . 1 154 154 ASP N N 15 125.064 0.00 . . . . . . . 466 ASP N . 50628 1 541 . 1 . 1 155 155 LYS H H 1 8.485 0.00 . . . . . . . 467 LYS H . 50628 1 542 . 1 . 1 155 155 LYS C C 13 176.676 0.00 . . . . . . . 467 LYS C . 50628 1 543 . 1 . 1 155 155 LYS N N 15 118.645 0.08 . . . . . . . 467 LYS N . 50628 1 544 . 1 . 1 156 156 ILE H H 1 7.521 0.00 . . . . . . . 468 ILE H . 50628 1 545 . 1 . 1 156 156 ILE C C 13 178.606 0.00 . . . . . . . 468 ILE C . 50628 1 546 . 1 . 1 156 156 ILE N N 15 114.769 0.03 . . . . . . . 468 ILE N . 50628 1 547 . 1 . 1 157 157 ARG H H 1 8.556 0.00 . . . . . . . 469 ARG H . 50628 1 548 . 1 . 1 157 157 ARG N N 15 118.526 0.06 . . . . . . . 469 ARG N . 50628 1 549 . 1 . 1 158 158 ARG H H 1 8.230 0.00 . . . . . . . 470 ARG H . 50628 1 550 . 1 . 1 158 158 ARG C C 13 175.301 0.00 . . . . . . . 470 ARG c . 50628 1 551 . 1 . 1 158 158 ARG N N 15 118.492 0.00 . . . . . . . 470 ARG N . 50628 1 552 . 1 . 1 159 159 LYS H H 1 7.718 0.00 . . . . . . . 471 LYS H . 50628 1 553 . 1 . 1 159 159 LYS C C 13 177.046 0.00 . . . . . . . 471 LYS C . 50628 1 554 . 1 . 1 159 159 LYS N N 15 116.311 0.06 . . . . . . . 471 LYS N . 50628 1 555 . 1 . 1 160 160 ASN H H 1 7.976 0.00 . . . . . . . 472 ASN H . 50628 1 556 . 1 . 1 160 160 ASN N N 15 116.269 0.03 . . . . . . . 472 ASN N . 50628 1 557 . 1 . 1 161 161 CYS H H 1 6.755 0.00 . . . . . . . 473 CYS H . 50628 1 558 . 1 . 1 161 161 CYS N N 15 115.935 0.00 . . . . . . . 473 CYS N . 50628 1 559 . 1 . 1 162 162 PRO C C 13 177.498 0.00 . . . . . . . 474 PRO C . 50628 1 560 . 1 . 1 163 163 ALA H H 1 7.988 0.00 . . . . . . . 475 ALA H . 50628 1 561 . 1 . 1 163 163 ALA C C 13 180.588 0.00 . . . . . . . 475 ALA C . 50628 1 562 . 1 . 1 163 163 ALA N N 15 119.992 0.04 . . . . . . . 475 ALA N . 50628 1 563 . 1 . 1 164 164 CYS H H 1 9.721 0.00 . . . . . . . 476 CYS H . 50628 1 564 . 1 . 1 164 164 CYS N N 15 122.925 0.02 . . . . . . . 476 CYS N . 50628 1 565 . 1 . 1 165 165 ARG H H 1 8.490 0.00 . . . . . . . 477 ARG H . 50628 1 566 . 1 . 1 165 165 ARG C C 13 177.844 0.00 . . . . . . . 477 ARG C . 50628 1 567 . 1 . 1 165 165 ARG N N 15 121.988 0.00 . . . . . . . 477 ARG N . 50628 1 568 . 1 . 1 166 166 TYR H H 1 9.343 0.00 . . . . . . . 478 TYR H . 50628 1 569 . 1 . 1 166 166 TYR C C 13 176.966 0.00 . . . . . . . 478 TYR C . 50628 1 570 . 1 . 1 166 166 TYR N N 15 120.969 0.09 . . . . . . . 478 TYR N . 50628 1 571 . 1 . 1 167 167 ARG H H 1 8.384 0.00 . . . . . . . 479 ARG H . 50628 1 572 . 1 . 1 167 167 ARG C C 13 178.773 0.00 . . . . . . . 479 ARG C . 50628 1 573 . 1 . 1 167 167 ARG N N 15 118.818 0.14 . . . . . . . 479 ARG N . 50628 1 574 . 1 . 1 168 168 LYS H H 1 8.130 0.01 . . . . . . . 480 LYS H . 50628 1 575 . 1 . 1 168 168 LYS C C 13 179.429 0.00 . . . . . . . 480 LYS C . 50628 1 576 . 1 . 1 168 168 LYS N N 15 119.785 0.03 . . . . . . . 480 LYS N . 50628 1 577 . 1 . 1 169 169 CYS H H 1 8.492 0.00 . . . . . . . 481 CYS H . 50628 1 578 . 1 . 1 169 169 CYS C C 13 176.873 0.00 . . . . . . . 481 CYS C . 50628 1 579 . 1 . 1 169 169 CYS N N 15 119.308 0.09 . . . . . . . 481 CYS N . 50628 1 580 . 1 . 1 170 170 LEU H H 1 7.981 0.00 . . . . . . . 482 LEU H . 50628 1 581 . 1 . 1 170 170 LEU C C 13 182.243 0.00 . . . . . . . 482 LEU C . 50628 1 582 . 1 . 1 170 170 LEU N N 15 118.739 0.09 . . . . . . . 482 LEU N . 50628 1 583 . 1 . 1 171 171 GLN H H 1 8.861 0.00 . . . . . . . 483 GLN H . 50628 1 584 . 1 . 1 171 171 GLN N N 15 122.035 0.02 . . . . . . . 483 GLN N . 50628 1 585 . 1 . 1 172 172 ALA H H 1 8.058 0.00 . . . . . . . 484 ALA H . 50628 1 586 . 1 . 1 172 172 ALA C C 13 176.746 0.00 . . . . . . . 484 ALA C . 50628 1 587 . 1 . 1 172 172 ALA N N 15 119.257 0.00 . . . . . . . 484 ALA N . 50628 1 588 . 1 . 1 173 173 GLY H H 1 7.489 0.00 . . . . . . . 485 GLY H . 50628 1 589 . 1 . 1 173 173 GLY C C 13 175.100 0.00 . . . . . . . 485 GLY C . 50628 1 590 . 1 . 1 173 173 GLY N N 15 101.773 0.03 . . . . . . . 485 GLY N . 50628 1 591 . 1 . 1 174 174 MET H H 1 7.663 0.00 . . . . . . . 486 MET H . 50628 1 592 . 1 . 1 174 174 MET C C 13 175.826 0.00 . . . . . . . 486 MET C . 50628 1 593 . 1 . 1 174 174 MET N N 15 120.191 0.08 . . . . . . . 486 MET N . 50628 1 594 . 1 . 1 175 175 ASN H H 1 8.572 0.00 . . . . . . . 487 ASN H . 50628 1 595 . 1 . 1 175 175 ASN C C 13 174.270 0.00 . . . . . . . 487 ASN C . 50628 1 596 . 1 . 1 175 175 ASN N N 15 117.948 0.09 . . . . . . . 487 ASN N . 50628 1 597 . 1 . 1 176 176 LEU H H 1 9.088 0.00 . . . . . . . 488 LEU H . 50628 1 598 . 1 . 1 176 176 LEU N N 15 125.126 0.02 . . . . . . . 488 LEU N . 50628 1 599 . 1 . 1 176 176 LEU C C 13 177.271 0.00 . . . . . . . 488 LEU C . 50628 1 600 . 1 . 1 177 177 GLU H H 1 8.484 0.00 . . . . . . . 489 GLU H . 50628 1 601 . 1 . 1 177 177 GLU C C 13 176.228 0.00 . . . . . . . 489 GLU C . 50628 1 602 . 1 . 1 177 177 GLU CA C 13 56.463 0.15 . . . . . . . 489 GLU CA . 50628 1 603 . 1 . 1 177 177 GLU CB C 13 29.742 0.03 . . . . . . . 489 GLU CB . 50628 1 604 . 1 . 1 177 177 GLU N N 15 119.937 0.03 . . . . . . . 489 GLU N . 50628 1 605 . 1 . 1 178 178 ALA H H 1 8.172 0.00 . . . . . . . 490 ALA H . 50628 1 606 . 1 . 1 178 178 ALA C C 13 177.632 0.00 . . . . . . . 490 ALA C . 50628 1 607 . 1 . 1 178 178 ALA CA C 13 52.900 0.00 . . . . . . . 490 ALA CA . 50628 1 608 . 1 . 1 178 178 ALA CB C 13 18.630 0.00 . . . . . . . 490 ALA CB . 50628 1 609 . 1 . 1 178 178 ALA N N 15 124.321 0.03 . . . . . . . 490 ALA N . 50628 1 610 . 1 . 1 179 179 ARG H H 1 8.429 0.00 . . . . . . . 491 ARG H . 50628 1 611 . 1 . 1 179 179 ARG C C 13 176.536 0.00 . . . . . . . 491 ARG C . 50628 1 612 . 1 . 1 179 179 ARG N N 15 119.748 0.02 . . . . . . . 491 ARG N . 50628 1 613 . 1 . 1 180 180 LYS H H 1 8.405 0.00 . . . . . . . 492 LYS H . 50628 1 614 . 1 . 1 180 180 LYS C C 13 176.750 0.00 . . . . . . . 492 LYS C . 50628 1 615 . 1 . 1 180 180 LYS CA C 13 56.539 0.00 . . . . . . . 492 LYS CA . 50628 1 616 . 1 . 1 180 180 LYS CB C 13 33.138 0.00 . . . . . . . 492 LYS CB . 50628 1 617 . 1 . 1 180 180 LYS N N 15 122.471 0.14 . . . . . . . 492 LYS N . 50628 1 618 . 1 . 1 181 181 THR H H 1 8.161 0.00 . . . . . . . 493 THR H . 50628 1 619 . 1 . 1 181 181 THR C C 13 174.184 0.00 . . . . . . . 493 THR C . 50628 1 620 . 1 . 1 181 181 THR N N 15 115.680 0.05 . . . . . . . 493 THR N . 50628 1 621 . 1 . 1 182 182 LYS H H 1 8.415 0.00 . . . . . . . 494 LYS H . 50628 1 622 . 1 . 1 182 182 LYS C C 13 176.342 0.00 . . . . . . . 494 LYS C . 50628 1 623 . 1 . 1 182 182 LYS CA C 13 56.335 0.00 . . . . . . . 494 LYS CA . 50628 1 624 . 1 . 1 182 182 LYS CB C 13 33.115 0.00 . . . . . . . 494 LYS CB . 50628 1 625 . 1 . 1 182 182 LYS N N 15 124.433 0.02 . . . . . . . 494 LYS N . 50628 1 626 . 1 . 1 183 183 LYS H H 1 8.363 0.00 . . . . . . . 495 LYS H . 50628 1 627 . 1 . 1 183 183 LYS C C 13 176.297 0.00 . . . . . . . 495 LYS C . 50628 1 628 . 1 . 1 183 183 LYS CA C 13 56.273 0.13 . . . . . . . 495 LYS CA . 50628 1 629 . 1 . 1 183 183 LYS CB C 13 33.017 0.14 . . . . . . . 495 LYS CB . 50628 1 630 . 1 . 1 183 183 LYS N N 15 123.430 0.03 . . . . . . . 495 LYS N . 50628 1 631 . 1 . 1 184 184 LYS H H 1 8.450 0.00 . . . . . . . 496 LYS H . 50628 1 632 . 1 . 1 184 184 LYS C C 13 176.298 0.00 . . . . . . . 496 LYS C . 50628 1 633 . 1 . 1 184 184 LYS CA C 13 56.267 0.05 . . . . . . . 496 LYS CA . 50628 1 634 . 1 . 1 184 184 LYS CB C 13 33.014 0.01 . . . . . . . 496 LYS CB . 50628 1 635 . 1 . 1 184 184 LYS N N 15 123.783 0.07 . . . . . . . 496 LYS N . 50628 1 636 . 1 . 1 185 185 ILE H H 1 8.279 0.00 . . . . . . . 497 ILE H . 50628 1 637 . 1 . 1 185 185 ILE C C 13 176.057 0.00 . . . . . . . 497 ILE C . 50628 1 638 . 1 . 1 185 185 ILE CA C 13 60.823 0.06 . . . . . . . 497 ILE CA . 50628 1 639 . 1 . 1 185 185 ILE CB C 13 38.728 0.22 . . . . . . . 497 ILE CB . 50628 1 640 . 1 . 1 185 185 ILE N N 15 123.228 0.06 . . . . . . . 497 ILE N . 50628 1 641 . 1 . 1 186 186 LYS H H 1 8.483 0.00 . . . . . . . 498 LYS H . 50628 1 642 . 1 . 1 186 186 LYS C C 13 176.746 0.00 . . . . . . . 498 LYS C . 50628 1 643 . 1 . 1 186 186 LYS CA C 13 56.433 0.12 . . . . . . . 498 LYS CA . 50628 1 644 . 1 . 1 186 186 LYS CB C 13 33.064 0.08 . . . . . . . 498 LYS CB . 50628 1 645 . 1 . 1 186 186 LYS N N 15 126.135 0.08 . . . . . . . 498 LYS N . 50628 1 646 . 1 . 1 187 187 GLY H H 1 8.445 0.00 . . . . . . . 499 GLY H . 50628 1 647 . 1 . 1 187 187 GLY C C 13 173.916 0.00 . . . . . . . 499 GLY C . 50628 1 648 . 1 . 1 187 187 GLY CA C 13 45.121 0.09 . . . . . . . 499 GLY CA . 50628 1 649 . 1 . 1 187 187 GLY N N 15 110.446 0.07 . . . . . . . 499 GLY N . 50628 1 650 . 1 . 1 188 188 ILE H H 1 8.061 0.00 . . . . . . . 500 ILE H . 50628 1 651 . 1 . 1 188 188 ILE C C 13 176.373 0.00 . . . . . . . 500 ILE C . 50628 1 652 . 1 . 1 188 188 ILE CA C 13 61.100 0.03 . . . . . . . 500 ILE CA . 50628 1 653 . 1 . 1 188 188 ILE CB C 13 38.817 0.09 . . . . . . . 500 ILE CB . 50628 1 654 . 1 . 1 188 188 ILE N N 15 119.990 0.03 . . . . . . . 500 ILE N . 50628 1 655 . 1 . 1 189 189 GLN H H 1 8.560 0.00 . . . . . . . 501 GLN H . 50628 1 656 . 1 . 1 189 189 GLN C C 13 175.717 0.00 . . . . . . . 501 GLN C . 50628 1 657 . 1 . 1 189 189 GLN CA C 13 55.835 0.03 . . . . . . . 501 GLN CA . 50628 1 658 . 1 . 1 189 189 GLN CB C 13 29.360 0.10 . . . . . . . 501 GLN CB . 50628 1 659 . 1 . 1 189 189 GLN N N 15 124.662 0.07 . . . . . . . 501 GLN N . 50628 1 660 . 1 . 1 190 190 GLN H H 1 8.479 0.00 . . . . . . . 502 GLN H . 50628 1 661 . 1 . 1 190 190 GLN C C 13 175.589 0.00 . . . . . . . 502 GLN C . 50628 1 662 . 1 . 1 190 190 GLN CA C 13 55.841 0.03 . . . . . . . 502 GLN CA . 50628 1 663 . 1 . 1 190 190 GLN CB C 13 29.587 0.11 . . . . . . . 502 GLN CB . 50628 1 664 . 1 . 1 190 190 GLN N N 15 122.381 0.07 . . . . . . . 502 GLN N . 50628 1 665 . 1 . 1 191 191 ALA H H 1 8.490 0.00 . . . . . . . 503 ALA H . 50628 1 666 . 1 . 1 191 191 ALA C C 13 177.894 0.00 . . . . . . . 503 ALA C . 50628 1 667 . 1 . 1 191 191 ALA CA C 13 52.592 0.07 . . . . . . . 503 ALA CA . 50628 1 668 . 1 . 1 191 191 ALA CB C 13 19.226 0.03 . . . . . . . 503 ALA CB . 50628 1 669 . 1 . 1 191 191 ALA N N 15 125.742 0.06 . . . . . . . 503 ALA N . 50628 1 670 . 1 . 1 192 192 THR H H 1 8.281 0.00 . . . . . . . 504 THR H . 50628 1 671 . 1 . 1 192 192 THR C C 13 174.763 0.00 . . . . . . . 504 THR C . 50628 1 672 . 1 . 1 192 192 THR CA C 13 61.835 0.08 . . . . . . . 504 THR CA . 50628 1 673 . 1 . 1 192 192 THR CB C 13 69.814 0.04 . . . . . . . 504 THR CB . 50628 1 674 . 1 . 1 192 192 THR N N 15 113.424 0.07 . . . . . . . 504 THR N . 50628 1 675 . 1 . 1 193 193 THR H H 1 8.175 0.00 . . . . . . . 505 THR H . 50628 1 676 . 1 . 1 193 193 THR C C 13 174.982 0.00 . . . . . . . 505 THR C . 50628 1 677 . 1 . 1 193 193 THR CA C 13 61.865 0.15 . . . . . . . 505 THR CA . 50628 1 678 . 1 . 1 193 193 THR CB C 13 69.858 0.13 . . . . . . . 505 THR CB . 50628 1 679 . 1 . 1 193 193 THR N N 15 115.654 0.06 . . . . . . . 505 THR N . 50628 1 680 . 1 . 1 194 194 GLY H H 1 8.458 0.00 . . . . . . . 506 GLY H . 50628 1 681 . 1 . 1 194 194 GLY C C 13 173.925 0.00 . . . . . . . 506 GLY C . 50628 1 682 . 1 . 1 194 194 GLY CA C 13 45.230 0.06 . . . . . . . 506 GLY CA . 50628 1 683 . 1 . 1 194 194 GLY N N 15 111.216 0.07 . . . . . . . 506 GLY N . 50628 1 684 . 1 . 1 195 195 VAL H H 1 8.036 0.00 . . . . . . . 507 VAL H . 50628 1 685 . 1 . 1 195 195 VAL C C 13 176.345 0.00 . . . . . . . 507 VAL C . 50628 1 686 . 1 . 1 195 195 VAL CA C 13 62.053 0.18 . . . . . . . 507 VAL CA . 50628 1 687 . 1 . 1 195 195 VAL CB C 13 32.712 0.00 . . . . . . . 507 VAL CB . 50628 1 688 . 1 . 1 195 195 VAL N N 15 119.087 0.03 . . . . . . . 507 VAL N . 50628 1 689 . 1 . 1 196 196 SER H H 1 8.504 0.00 . . . . . . . 508 SER H . 50628 1 690 . 1 . 1 196 196 SER C C 13 174.557 0.00 . . . . . . . 508 SER C . 50628 1 691 . 1 . 1 196 196 SER CA C 13 58.242 0.06 . . . . . . . 508 SER CA . 50628 1 692 . 1 . 1 196 196 SER CB C 13 63.726 0.09 . . . . . . . 508 SER CB . 50628 1 693 . 1 . 1 196 196 SER N N 15 119.768 0.05 . . . . . . . 508 SER N . 50628 1 694 . 1 . 1 197 197 GLN H H 1 8.557 0.00 . . . . . . . 509 GLN H . 50628 1 695 . 1 . 1 197 197 GLN C C 13 175.947 0.00 . . . . . . . 509 GLN C . 50628 1 696 . 1 . 1 197 197 GLN CA C 13 55.904 0.07 . . . . . . . 509 GLN CA . 50628 1 697 . 1 . 1 197 197 GLN CB C 13 29.487 0.08 . . . . . . . 509 GLN CB . 50628 1 698 . 1 . 1 197 197 GLN N N 15 122.685 0.06 . . . . . . . 509 GLN N . 50628 1 699 . 1 . 1 198 198 GLU H H 1 8.531 0.00 . . . . . . . 510 GLU H . 50628 1 700 . 1 . 1 198 198 GLU C C 13 176.833 0.03 . . . . . . . 510 GLU C . 50628 1 701 . 1 . 1 198 198 GLU CA C 13 56.643 0.19 . . . . . . . 510 GLU CA . 50628 1 702 . 1 . 1 198 198 GLU CB C 13 30.086 0.13 . . . . . . . 510 GLU CB . 50628 1 703 . 1 . 1 198 198 GLU N N 15 122.101 0.02 . . . . . . . 510 GLU N . 50628 1 704 . 1 . 1 199 199 THR H H 1 8.268 0.00 . . . . . . . 511 THR H . 50628 1 705 . 1 . 1 199 199 THR C C 13 174.605 0.01 . . . . . . . 511 THR C . 50628 1 706 . 1 . 1 199 199 THR CA C 13 61.793 0.05 . . . . . . . 511 THR CA . 50628 1 707 . 1 . 1 199 199 THR CB C 13 69.846 0.09 . . . . . . . 511 THR CB . 50628 1 708 . 1 . 1 199 199 THR N N 15 114.950 0.06 . . . . . . . 511 THR N . 50628 1 709 . 1 . 1 200 200 SER H H 1 8.372 0.00 . . . . . . . 512 SER H . 50628 1 710 . 1 . 1 200 200 SER C C 13 174.433 0.00 . . . . . . . 512 SER C . 50628 1 711 . 1 . 1 200 200 SER CA C 13 58.435 0.14 . . . . . . . 512 SER CA . 50628 1 712 . 1 . 1 200 200 SER CB C 13 63.809 0.07 . . . . . . . 512 SER CB . 50628 1 713 . 1 . 1 200 200 SER N N 15 117.864 0.05 . . . . . . . 512 SER N . 50628 1 714 . 1 . 1 201 201 GLU H H 1 8.435 0.00 . . . . . . . 513 GLU H . 50628 1 715 . 1 . 1 201 201 GLU C C 13 175.826 0.00 . . . . . . . 513 GLU C . 50628 1 716 . 1 . 1 201 201 GLU CA C 13 56.439 0.16 . . . . . . . 513 GLU CA . 50628 1 717 . 1 . 1 201 201 GLU CB C 13 30.270 0.04 . . . . . . . 513 GLU CB . 50628 1 718 . 1 . 1 201 201 GLU N N 15 122.256 0.05 . . . . . . . 513 GLU N . 50628 1 719 . 1 . 1 202 202 ASN H H 1 8.463 0.00 . . . . . . . 514 ASN H . 50628 1 720 . 1 . 1 202 202 ASN CA C 13 51.072 0.00 . . . . . . . 514 ASN CA . 50628 1 721 . 1 . 1 202 202 ASN CB C 13 38.775 0.00 . . . . . . . 514 ASN CB . 50628 1 722 . 1 . 1 202 202 ASN N N 15 120.198 0.07 . . . . . . . 514 ASN N . 50628 1 723 . 1 . 1 203 203 PRO C C 13 177.607 0.00 . . . . . . . 515 PRO C . 50628 1 724 . 1 . 1 203 203 PRO CA C 13 63.773 0.14 . . . . . . . 515 PRO CA . 50628 1 725 . 1 . 1 203 203 PRO CB C 13 32.108 0.08 . . . . . . . 515 PRO CB . 50628 1 726 . 1 . 1 204 204 GLY H H 1 8.474 0.00 . . . . . . . 516 GLY H . 50628 1 727 . 1 . 1 204 204 GLY C C 13 173.972 0.00 . . . . . . . 516 GLY C . 50628 1 728 . 1 . 1 204 204 GLY CA C 13 45.290 0.08 . . . . . . . 516 GLY CA . 50628 1 729 . 1 . 1 204 204 GLY N N 15 108.193 0.05 . . . . . . . 516 GLY N . 50628 1 730 . 1 . 1 205 205 ASN H H 1 8.200 0.00 . . . . . . . 517 ASN H . 50628 1 731 . 1 . 1 205 205 ASN C C 13 175.202 0.02 . . . . . . . 517 ASN C . 50628 1 732 . 1 . 1 205 205 ASN CA C 13 53.190 0.06 . . . . . . . 517 ASN CA . 50628 1 733 . 1 . 1 205 205 ASN CB C 13 38.670 0.19 . . . . . . . 517 ASN CB . 50628 1 734 . 1 . 1 205 205 ASN N N 15 118.542 0.05 . . . . . . . 517 ASN N . 50628 1 735 . 1 . 1 206 206 LYS H H 1 8.266 0.01 . . . . . . . 518 LYS H . 50628 1 736 . 1 . 1 206 206 LYS C C 13 176.569 0.00 . . . . . . . 518 LYS C . 50628 1 737 . 1 . 1 206 206 LYS CA C 13 56.299 0.14 . . . . . . . 518 LYS CA . 50628 1 738 . 1 . 1 206 206 LYS CB C 13 32.974 0.10 . . . . . . . 518 LYS CB . 50628 1 739 . 1 . 1 206 206 LYS N N 15 121.472 0.05 . . . . . . . 518 LYS N . 50628 1 740 . 1 . 1 207 207 THR H H 1 8.259 0.00 . . . . . . . 519 THR H . 50628 1 741 . 1 . 1 207 207 THR C C 13 174.143 0.00 . . . . . . . 519 THR C . 50628 1 742 . 1 . 1 207 207 THR CA C 13 62.210 0.16 . . . . . . . 519 THR CA . 50628 1 743 . 1 . 1 207 207 THR CB C 13 69.695 0.07 . . . . . . . 519 THR CB . 50628 1 744 . 1 . 1 207 207 THR N N 15 116.833 0.05 . . . . . . . 519 THR N . 50628 1 745 . 1 . 1 208 208 ILE H H 1 8.292 0.00 . . . . . . . 520 ILE H . 50628 1 746 . 1 . 1 208 208 ILE C C 13 175.848 0.00 . . . . . . . 520 ILE C . 50628 1 747 . 1 . 1 208 208 ILE CA C 13 60.835 0.07 . . . . . . . 520 ILE CA . 50628 1 748 . 1 . 1 208 208 ILE CB C 13 38.582 0.17 . . . . . . . 520 ILE CB . 50628 1 749 . 1 . 1 208 208 ILE N N 15 124.713 0.06 . . . . . . . 520 ILE N . 50628 1 750 . 1 . 1 209 209 VAL H H 1 8.349 0.00 . . . . . . . 521 VAL H . 50628 1 751 . 1 . 1 209 209 VAL CA C 13 59.822 0.00 . . . . . . . 521 VAL CA . 50628 1 752 . 1 . 1 209 209 VAL CB C 13 32.387 0.07 . . . . . . . 521 VAL CB . 50628 1 753 . 1 . 1 209 209 VAL N N 15 127.213 0.03 . . . . . . . 521 VAL N . 50628 1 754 . 1 . 1 210 210 PRO C C 13 176.375 0.00 . . . . . . . 522 PRO C . 50628 1 755 . 1 . 1 210 210 PRO CA C 13 63.043 0.01 . . . . . . . 522 PRO CA . 50628 1 756 . 1 . 1 210 210 PRO CB C 13 32.229 0.06 . . . . . . . 522 PRO CB . 50628 1 757 . 1 . 1 211 211 ALA H H 1 8.430 0.00 . . . . . . . 523 ALA H . 50628 1 758 . 1 . 1 211 211 ALA C C 13 177.842 0.00 . . . . . . . 523 ALA C . 50628 1 759 . 1 . 1 211 211 ALA CA C 13 52.469 0.06 . . . . . . . 523 ALA CA . 50628 1 760 . 1 . 1 211 211 ALA CB C 13 19.173 0.11 . . . . . . . 523 ALA CB . 50628 1 761 . 1 . 1 211 211 ALA N N 15 124.490 0.04 . . . . . . . 523 ALA N . 50628 1 762 . 1 . 1 212 212 THR H H 1 8.153 0.00 . . . . . . . 524 THR H . 50628 1 763 . 1 . 1 212 212 THR C C 13 173.574 0.02 . . . . . . . 524 THR C . 50628 1 764 . 1 . 1 212 212 THR CA C 13 61.638 0.05 . . . . . . . 524 THR CA . 50628 1 765 . 1 . 1 212 212 THR CB C 13 69.979 0.08 . . . . . . . 524 THR CB . 50628 1 766 . 1 . 1 212 212 THR N N 15 113.996 0.03 . . . . . . . 524 THR N . 50628 1 767 . 1 . 1 213 213 LEU H H 1 7.958 0.00 . . . . . . . 525 LEU H . 50628 1 768 . 1 . 1 213 213 LEU CA C 13 56.696 0.09 . . . . . . . 525 LEU CA . 50628 1 769 . 1 . 1 213 213 LEU CB C 13 43.266 0.00 . . . . . . . 525 LEU CB . 50628 1 770 . 1 . 1 213 213 LEU N N 15 130.412 0.03 . . . . . . . 525 LEU N . 50628 1 stop_ save_