data_50867 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50867 _Entry.Title ; Complex of the CBP TAZ1 domain and a CITED2-HIF-1alpha fusion peptide (L63A) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-03-31 _Entry.Accession_date 2021-03-31 _Entry.Last_release_date 2021-03-31 _Entry.Original_release_date 2021-03-31 _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 . _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 Francis Appling . D. . . 50867 2 Rebecca Berlow . B. . . 50867 3 Robyn Stanfield . L. . . 50867 4 'H Jane' Dyson . . . . 50867 5 Peter Wright . E. . . 50867 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 50867 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 412 50867 '15N chemical shifts' 140 50867 '1H chemical shifts' 205 50867 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 . . 2021-12-30 2021-03-31 update BMRB 'update entry citation' 50867 1 . . 2021-07-24 2021-03-31 original author 'original release' 50867 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50865 'Complex of the CBP TAZ1 domain and a CITED2-HIF-1alpha fusion peptide' 50867 BMRB 50866 'CITED2-HIF-1alpha fusion peptide' 50867 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50867 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34520739 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The molecular basis of allostery in a facilitated dissociation process ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 29 _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 1327 _Citation.Page_last 1338 _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 Francis Appling . D. . . 50867 1 2 Rebecca Berlow . B. . . 50867 1 3 Robyn Stanfield . L. . . 50867 1 4 'H Jane' Dyson . . . . 50867 1 5 Peter Wright . E. . . 50867 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50867 _Assembly.ID 1 _Assembly.Name 'Complex of TAZ1 and a CITED2-HIF-1alpha fusion peptide (L63A)' _Assembly.BMRB_code . _Assembly.Number_of_components 5 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 3 _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states yes _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 TAZ1 1 $entity_1 . . yes native yes no . . . 50867 1 2 'CITED2-HIF1alpha fusion peptide (L63A)' 2 $entity_2 . . yes native yes no . . . 50867 1 3 zinc1 3 $entity_ZN . . no native no no . . . 50867 1 4 zinc2 3 $entity_ZN . . no native no no . . . 50867 1 5 zinc3 3 $entity_ZN . . no native no no . . . 50867 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 'metal coordination' single . 1 . 1 HIS 23 23 NE2 . 3 . 3 ZN 1 1 ZN . TAZ1 . 362 HIS NE2 . zinc1 . 1 Zn Zn 50867 1 2 'metal coordination' single . 1 . 1 CYS 27 27 SG . 3 . 3 ZN 1 1 ZN . TAZ1 . 366 CYS SG . zinc1 . 1 Zn Zn 50867 1 3 'metal coordination' single . 1 . 1 CYS 40 40 SG . 3 . 3 ZN 1 1 ZN . TAZ1 . 379 CYS SG . zinc1 . 1 Zn Zn 50867 1 4 'metal coordination' single . 1 . 1 CYS 45 45 SG . 3 . 3 ZN 1 1 ZN . TAZ1 . 384 CYS SG . zinc1 . 1 Zn Zn 50867 1 5 'metal coordination' single . 1 . 1 HIS 54 54 NE2 . 4 . 3 ZN 1 1 ZN . TAZ1 . 393 HIS NE2 . zinc2 . 1 Zn Zn 50867 1 6 'metal coordination' single . 1 . 1 CYS 58 58 SG . 4 . 3 ZN 1 1 ZN . TAZ1 . 397 CYS SG . zinc2 . 1 Zn Zn 50867 1 7 'metal coordination' single . 1 . 1 CYS 64 64 SG . 4 . 3 ZN 1 1 ZN . TAZ1 . 403 CYS SG . zinc2 . 1 Zn Zn 50867 1 8 'metal coordination' single . 1 . 1 CYS 69 69 SG . 4 . 3 ZN 1 1 ZN . TAZ1 . 408 CYS SG . zinc2 . 1 Zn Zn 50867 1 9 'metal coordination' single . 1 . 1 HIS 78 78 NE2 . 5 . 3 ZN 1 1 ZN . TAZ1 . 417 HIS NE2 . zinc3 . 1 Zn Zn 50867 1 10 'metal coordination' single . 1 . 1 CYS 82 82 SG . 5 . 3 ZN 1 1 ZN . TAZ1 . 421 CYS SG . zinc3 . 1 Zn Zn 50867 1 11 'metal coordination' single . 1 . 1 CYS 87 87 SG . 5 . 3 ZN 1 1 ZN . TAZ1 . 426 CYS SG . zinc3 . 1 Zn Zn 50867 1 12 'metal coordination' single . 1 . 1 CYS 90 90 SG . 5 . 3 ZN 1 1 ZN . TAZ1 . 429 CYS SG . zinc3 . 1 Zn Zn 50867 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50867 _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 ; ATGPTADPEKRKLIQQQLVL LLHAHKCQRREQANGEVRAC SLPHCRTMKNVLNHMTHCQA GKACQVAHCASSRQIISHWK NCTRHDCPVCLPLKNASDKR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all 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_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 1 340 ALA . 50867 1 2 341 THR . 50867 1 3 342 GLY . 50867 1 4 343 PRO . 50867 1 5 344 THR . 50867 1 6 345 ALA . 50867 1 7 346 ASP . 50867 1 8 347 PRO . 50867 1 9 348 GLU . 50867 1 10 349 LYS . 50867 1 11 350 ARG . 50867 1 12 351 LYS . 50867 1 13 352 LEU . 50867 1 14 353 ILE . 50867 1 15 354 GLN . 50867 1 16 355 GLN . 50867 1 17 356 GLN . 50867 1 18 357 LEU . 50867 1 19 358 VAL . 50867 1 20 359 LEU . 50867 1 21 360 LEU . 50867 1 22 361 LEU . 50867 1 23 362 HIS . 50867 1 24 363 ALA . 50867 1 25 364 HIS . 50867 1 26 365 LYS . 50867 1 27 366 CYS . 50867 1 28 367 GLN . 50867 1 29 368 ARG . 50867 1 30 369 ARG . 50867 1 31 370 GLU . 50867 1 32 371 GLN . 50867 1 33 372 ALA . 50867 1 34 373 ASN . 50867 1 35 374 GLY . 50867 1 36 375 GLU . 50867 1 37 376 VAL . 50867 1 38 377 ARG . 50867 1 39 378 ALA . 50867 1 40 379 CYS . 50867 1 41 380 SER . 50867 1 42 381 LEU . 50867 1 43 382 PRO . 50867 1 44 383 HIS . 50867 1 45 384 CYS . 50867 1 46 385 ARG . 50867 1 47 386 THR . 50867 1 48 387 MET . 50867 1 49 388 LYS . 50867 1 50 389 ASN . 50867 1 51 390 VAL . 50867 1 52 391 LEU . 50867 1 53 392 ASN . 50867 1 54 393 HIS . 50867 1 55 394 MET . 50867 1 56 395 THR . 50867 1 57 396 HIS . 50867 1 58 397 CYS . 50867 1 59 398 GLN . 50867 1 60 399 ALA . 50867 1 61 400 GLY . 50867 1 62 401 LYS . 50867 1 63 402 ALA . 50867 1 64 403 CYS . 50867 1 65 404 GLN . 50867 1 66 405 VAL . 50867 1 67 406 ALA . 50867 1 68 407 HIS . 50867 1 69 408 CYS . 50867 1 70 409 ALA . 50867 1 71 410 SER . 50867 1 72 411 SER . 50867 1 73 412 ARG . 50867 1 74 413 GLN . 50867 1 75 414 ILE . 50867 1 76 415 ILE . 50867 1 77 416 SER . 50867 1 78 417 HIS . 50867 1 79 418 TRP . 50867 1 80 419 LYS . 50867 1 81 420 ASN . 50867 1 82 421 CYS . 50867 1 83 422 THR . 50867 1 84 423 ARG . 50867 1 85 424 HIS . 50867 1 86 425 ASP . 50867 1 87 426 CYS . 50867 1 88 427 PRO . 50867 1 89 428 VAL . 50867 1 90 429 CYS . 50867 1 91 430 LEU . 50867 1 92 431 PRO . 50867 1 93 432 LEU . 50867 1 94 433 LYS . 50867 1 95 434 ASN . 50867 1 96 435 ALA . 50867 1 97 436 SER . 50867 1 98 437 ASP . 50867 1 99 438 LYS . 50867 1 100 439 ARG . 50867 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 . ALA 1 1 50867 1 . THR 2 2 50867 1 . GLY 3 3 50867 1 . PRO 4 4 50867 1 . THR 5 5 50867 1 . ALA 6 6 50867 1 . ASP 7 7 50867 1 . PRO 8 8 50867 1 . GLU 9 9 50867 1 . LYS 10 10 50867 1 . ARG 11 11 50867 1 . LYS 12 12 50867 1 . LEU 13 13 50867 1 . ILE 14 14 50867 1 . GLN 15 15 50867 1 . GLN 16 16 50867 1 . GLN 17 17 50867 1 . LEU 18 18 50867 1 . VAL 19 19 50867 1 . LEU 20 20 50867 1 . LEU 21 21 50867 1 . LEU 22 22 50867 1 . HIS 23 23 50867 1 . ALA 24 24 50867 1 . HIS 25 25 50867 1 . LYS 26 26 50867 1 . CYS 27 27 50867 1 . GLN 28 28 50867 1 . ARG 29 29 50867 1 . ARG 30 30 50867 1 . GLU 31 31 50867 1 . GLN 32 32 50867 1 . ALA 33 33 50867 1 . ASN 34 34 50867 1 . GLY 35 35 50867 1 . GLU 36 36 50867 1 . VAL 37 37 50867 1 . ARG 38 38 50867 1 . ALA 39 39 50867 1 . CYS 40 40 50867 1 . SER 41 41 50867 1 . LEU 42 42 50867 1 . PRO 43 43 50867 1 . HIS 44 44 50867 1 . CYS 45 45 50867 1 . ARG 46 46 50867 1 . THR 47 47 50867 1 . MET 48 48 50867 1 . LYS 49 49 50867 1 . ASN 50 50 50867 1 . VAL 51 51 50867 1 . LEU 52 52 50867 1 . ASN 53 53 50867 1 . HIS 54 54 50867 1 . MET 55 55 50867 1 . THR 56 56 50867 1 . HIS 57 57 50867 1 . CYS 58 58 50867 1 . GLN 59 59 50867 1 . ALA 60 60 50867 1 . GLY 61 61 50867 1 . LYS 62 62 50867 1 . ALA 63 63 50867 1 . CYS 64 64 50867 1 . GLN 65 65 50867 1 . VAL 66 66 50867 1 . ALA 67 67 50867 1 . HIS 68 68 50867 1 . CYS 69 69 50867 1 . ALA 70 70 50867 1 . SER 71 71 50867 1 . SER 72 72 50867 1 . ARG 73 73 50867 1 . GLN 74 74 50867 1 . ILE 75 75 50867 1 . ILE 76 76 50867 1 . SER 77 77 50867 1 . HIS 78 78 50867 1 . TRP 79 79 50867 1 . LYS 80 80 50867 1 . ASN 81 81 50867 1 . CYS 82 82 50867 1 . THR 83 83 50867 1 . ARG 84 84 50867 1 . HIS 85 85 50867 1 . ASP 86 86 50867 1 . CYS 87 87 50867 1 . PRO 88 88 50867 1 . VAL 89 89 50867 1 . CYS 90 90 50867 1 . LEU 91 91 50867 1 . PRO 92 92 50867 1 . LEU 93 93 50867 1 . LYS 94 94 50867 1 . ASN 95 95 50867 1 . ALA 96 96 50867 1 . SER 97 97 50867 1 . ASP 98 98 50867 1 . LYS 99 99 50867 1 . ARG 100 100 50867 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 50867 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _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 ; GSHMSNVIDTDFIDEEVLMS LVIEMGLDRIKELPELTSYD CEVNAPIQGSRNLLQGEELL RAADQVN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 67 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 50867 2 2 . SER . 50867 2 3 . HIS . 50867 2 4 . MET . 50867 2 5 . SER . 50867 2 6 . ASN . 50867 2 7 . VAL . 50867 2 8 . ILE . 50867 2 9 . ASP . 50867 2 10 . THR . 50867 2 11 . ASP . 50867 2 12 . PHE . 50867 2 13 . ILE . 50867 2 14 . ASP . 50867 2 15 . GLU . 50867 2 16 . GLU . 50867 2 17 . VAL . 50867 2 18 . LEU . 50867 2 19 . MET . 50867 2 20 . SER . 50867 2 21 . LEU . 50867 2 22 . VAL . 50867 2 23 . ILE . 50867 2 24 . GLU . 50867 2 25 . MET . 50867 2 26 . GLY . 50867 2 27 . LEU . 50867 2 28 . ASP . 50867 2 29 . ARG . 50867 2 30 . ILE . 50867 2 31 . LYS . 50867 2 32 . GLU . 50867 2 33 . LEU . 50867 2 34 . PRO . 50867 2 35 . GLU . 50867 2 36 . LEU . 50867 2 37 . THR . 50867 2 38 . SER . 50867 2 39 . TYR . 50867 2 40 . ASP . 50867 2 41 . CYS . 50867 2 42 . GLU . 50867 2 43 . VAL . 50867 2 44 . ASN . 50867 2 45 . ALA . 50867 2 46 . PRO . 50867 2 47 . ILE . 50867 2 48 . GLN . 50867 2 49 . GLY . 50867 2 50 . SER . 50867 2 51 . ARG . 50867 2 52 . ASN . 50867 2 53 . LEU . 50867 2 54 . LEU . 50867 2 55 . GLN . 50867 2 56 . GLY . 50867 2 57 . GLU . 50867 2 58 . GLU . 50867 2 59 . LEU . 50867 2 60 . LEU . 50867 2 61 . ARG . 50867 2 62 . ALA . 50867 2 63 . ALA . 50867 2 64 . ASP . 50867 2 65 . GLN . 50867 2 66 . VAL . 50867 2 67 . ASN . 50867 2 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 50867 2 . SER 2 2 50867 2 . HIS 3 3 50867 2 . MET 4 4 50867 2 . SER 5 5 50867 2 . ASN 6 6 50867 2 . VAL 7 7 50867 2 . ILE 8 8 50867 2 . ASP 9 9 50867 2 . THR 10 10 50867 2 . ASP 11 11 50867 2 . PHE 12 12 50867 2 . ILE 13 13 50867 2 . ASP 14 14 50867 2 . GLU 15 15 50867 2 . GLU 16 16 50867 2 . VAL 17 17 50867 2 . LEU 18 18 50867 2 . MET 19 19 50867 2 . SER 20 20 50867 2 . LEU 21 21 50867 2 . VAL 22 22 50867 2 . ILE 23 23 50867 2 . GLU 24 24 50867 2 . MET 25 25 50867 2 . GLY 26 26 50867 2 . LEU 27 27 50867 2 . ASP 28 28 50867 2 . ARG 29 29 50867 2 . ILE 30 30 50867 2 . LYS 31 31 50867 2 . GLU 32 32 50867 2 . LEU 33 33 50867 2 . PRO 34 34 50867 2 . GLU 35 35 50867 2 . LEU 36 36 50867 2 . THR 37 37 50867 2 . SER 38 38 50867 2 . TYR 39 39 50867 2 . ASP 40 40 50867 2 . CYS 41 41 50867 2 . GLU 42 42 50867 2 . VAL 43 43 50867 2 . ASN 44 44 50867 2 . ALA 45 45 50867 2 . PRO 46 46 50867 2 . ILE 47 47 50867 2 . GLN 48 48 50867 2 . GLY 49 49 50867 2 . SER 50 50 50867 2 . ARG 51 51 50867 2 . ASN 52 52 50867 2 . LEU 53 53 50867 2 . LEU 54 54 50867 2 . GLN 55 55 50867 2 . GLY 56 56 50867 2 . GLU 57 57 50867 2 . GLU 58 58 50867 2 . LEU 59 59 50867 2 . LEU 60 60 50867 2 . ARG 61 61 50867 2 . ALA 62 62 50867 2 . ALA 63 63 50867 2 . ASP 64 64 50867 2 . GLN 65 65 50867 2 . VAL 66 66 50867 2 . ASN 67 67 50867 2 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 50867 _Entity.ID 3 _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 3 _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 50867 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 50867 3 ZN 'Three letter code' 50867 3 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 50867 3 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 50867 _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 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 50867 1 2 2 $entity_2 . . 'not applicable' . . . . . . . . . . . . . . . . . . . . . . 50867 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 50867 _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 . . pET21d . . . 50867 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET22b . . . 50867 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 50867 _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 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code 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 no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _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 50867 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 50867 ZN [Zn++] SMILES CACTVS 3.341 50867 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 50867 ZN [Zn+2] SMILES ACDLabs 10.04 50867 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 50867 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 50867 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 50867 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 50867 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 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 50867 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50867 _Sample.ID 1 _Sample.Name TAZ1-fusion _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CBP TAZ1 domain' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 300 . . uM . . . . 50867 1 2 'CITED2-HIF-1alpha fusion peptide (L63A)' 'natural abundance' . . 2 $entity_2 . . 360 . . uM . . . . 50867 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 50867 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 50867 1 5 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 50867 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50867 _Sample.ID 2 _Sample.Name fusion-TAZ1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CBP TAZ1 domain' 'natural abundance' . . 1 $entity_1 . . 570 . . uM . . . . 50867 2 2 'CITED2-HIF-1alpha fusion peptide (L63A)' '[U-100% 13C; U-100% 15N]' . . 2 $entity_2 . . 300 . . uM . . . . 50867 2 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 50867 2 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 50867 2 5 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 50867 2 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 50867 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'NMR Buffer' _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' 0.05 . M 50867 1 pH 6.8 . pH 50867 1 pressure 1 . atm 50867 1 temperature 298 . K 50867 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50867 _Software.ID 1 _Software.Type . _Software.Name NMRbox _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50867 1 processing . 50867 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50867 _Software.ID 2 _Software.Type . _Software.Name 'GNU Octave' _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50867 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50867 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50867 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 50867 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50867 4 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 50867 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance 700 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 50867 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50867 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50867 1 3 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50867 1 4 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50867 1 5 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50867 1 6 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50867 1 7 '3D HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50867 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50867 1 9 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50867 1 10 '3D HN(CA)CO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50867 1 11 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50867 1 12 '3D HN(CO)CA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50867 1 13 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50867 1 14 '3D HN(CO)CACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50867 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50867 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name TAZ1-fusion _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.251449530 . . . . . 50867 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1 . . . . . 50867 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 . . . . . 50867 1 stop_ save_ save_chem_shift_reference_2 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_2 _Chem_shift_reference.Entry_ID 50867 _Chem_shift_reference.ID 2 _Chem_shift_reference.Name fusion-TAZ1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.251449530 . . . . . 50867 2 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1 . . . . . 50867 2 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 . . . . . 50867 2 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 50867 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name TAZ1_fusion _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50867 1 2 '3D HNCO' . . . 50867 1 3 '3D HN(CA)CO' . . . 50867 1 4 '3D HNCA' . . . 50867 1 5 '3D HN(CO)CA' . . . 50867 1 6 '3D HNCACB' . . . 50867 1 7 '3D HN(CO)CACB' . . . 50867 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 . . 50867 1 2 $software_2 . . 50867 1 3 $software_3 . . 50867 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 THR H H 1 8.343 0.010 . 1 . . . . . 341 THR H . 50867 1 2 . 1 . 1 2 2 THR C C 13 174.542 0.050 . 1 . . . . . 341 THR C . 50867 1 3 . 1 . 1 2 2 THR CA C 13 61.989 0.010 . 1 . . . . . 341 THR CA . 50867 1 4 . 1 . 1 2 2 THR CB C 13 69.964 0.010 . 1 . . . . . 341 THR CB . 50867 1 5 . 1 . 1 2 2 THR N N 15 111.562 0.010 . 1 . . . . . 341 THR N . 50867 1 6 . 1 . 1 3 3 GLY H H 1 8.353 0.010 . 1 . . . . . 342 GLY H . 50867 1 7 . 1 . 1 3 3 GLY HA2 H 1 4.205 0.010 . 1 . . . . . 342 GLY HA . 50867 1 8 . 1 . 1 3 3 GLY HA3 H 1 4.205 0.010 . 1 . . . . . 342 GLY HA . 50867 1 9 . 1 . 1 3 3 GLY C C 13 171.658 0.050 . 1 . . . . . 342 GLY C . 50867 1 10 . 1 . 1 3 3 GLY CA C 13 44.593 0.010 . 1 . . . . . 342 GLY CA . 50867 1 11 . 1 . 1 3 3 GLY N N 15 111.873 0.010 . 1 . . . . . 342 GLY N . 50867 1 12 . 1 . 1 4 4 PRO HA H 1 4.513 0.010 . 1 . . . . . 343 PRO HA . 50867 1 13 . 1 . 1 4 4 PRO C C 13 177.005 0.050 . 1 . . . . . 343 PRO C . 50867 1 14 . 1 . 1 4 4 PRO CA C 13 63.138 0.010 . 1 . . . . . 343 PRO CA . 50867 1 15 . 1 . 1 4 4 PRO CB C 13 32.299 0.010 . 1 . . . . . 343 PRO CB . 50867 1 16 . 1 . 1 5 5 THR H H 1 8.287 0.010 . 1 . . . . . 344 THR H . 50867 1 17 . 1 . 1 5 5 THR HA H 1 4.315 0.010 . 1 . . . . . 344 THR HA . 50867 1 18 . 1 . 1 5 5 THR C C 13 173.860 0.050 . 1 . . . . . 344 THR C . 50867 1 19 . 1 . 1 5 5 THR CA C 13 61.532 0.010 . 1 . . . . . 344 THR CA . 50867 1 20 . 1 . 1 5 5 THR CB C 13 70.297 0.010 . 1 . . . . . 344 THR CB . 50867 1 21 . 1 . 1 5 5 THR N N 15 115.252 0.010 . 1 . . . . . 344 THR N . 50867 1 22 . 1 . 1 6 6 ALA H H 1 8.324 0.010 . 1 . . . . . 345 ALA H . 50867 1 23 . 1 . 1 6 6 ALA HA H 1 4.156 0.010 . 1 . . . . . 345 ALA HA . 50867 1 24 . 1 . 1 6 6 ALA C C 13 176.855 0.050 . 1 . . . . . 345 ALA C . 50867 1 25 . 1 . 1 6 6 ALA CA C 13 52.435 0.010 . 1 . . . . . 345 ALA CA . 50867 1 26 . 1 . 1 6 6 ALA CB C 13 19.351 0.010 . 1 . . . . . 345 ALA CB . 50867 1 27 . 1 . 1 6 6 ALA N N 15 126.744 0.010 . 1 . . . . . 345 ALA N . 50867 1 28 . 1 . 1 7 7 ASP H H 1 8.744 0.010 . 1 . . . . . 346 ASP H . 50867 1 29 . 1 . 1 7 7 ASP C C 13 174.800 0.050 . 1 . . . . . 346 ASP C . 50867 1 30 . 1 . 1 7 7 ASP CA C 13 51.303 0.010 . 1 . . . . . 346 ASP CA . 50867 1 31 . 1 . 1 7 7 ASP CB C 13 43.199 0.010 . 1 . . . . . 346 ASP CB . 50867 1 32 . 1 . 1 7 7 ASP N N 15 121.891 0.010 . 1 . . . . . 346 ASP N . 50867 1 33 . 1 . 1 8 8 PRO HA H 1 4.180 0.010 . 1 . . . . . 347 PRO HA . 50867 1 34 . 1 . 1 8 8 PRO C C 13 179.056 0.050 . 1 . . . . . 347 PRO C . 50867 1 35 . 1 . 1 8 8 PRO CA C 13 64.866 0.010 . 1 . . . . . 347 PRO CA . 50867 1 36 . 1 . 1 8 8 PRO CB C 13 32.407 0.010 . 1 . . . . . 347 PRO CB . 50867 1 37 . 1 . 1 9 9 GLU H H 1 8.312 0.010 . 1 . . . . . 348 GLU H . 50867 1 38 . 1 . 1 9 9 GLU HA H 1 4.148 0.010 . 1 . . . . . 348 GLU HA . 50867 1 39 . 1 . 1 9 9 GLU C C 13 179.409 0.050 . 1 . . . . . 348 GLU C . 50867 1 40 . 1 . 1 9 9 GLU CA C 13 58.870 0.010 . 1 . . . . . 348 GLU CA . 50867 1 41 . 1 . 1 9 9 GLU CB C 13 29.043 0.010 . 1 . . . . . 348 GLU CB . 50867 1 42 . 1 . 1 9 9 GLU N N 15 118.752 0.010 . 1 . . . . . 348 GLU N . 50867 1 43 . 1 . 1 10 10 LYS H H 1 7.750 0.010 . 1 . . . . . 349 LYS H . 50867 1 44 . 1 . 1 10 10 LYS HA H 1 3.975 0.010 . 1 . . . . . 349 LYS HA . 50867 1 45 . 1 . 1 10 10 LYS C C 13 178.790 0.050 . 1 . . . . . 349 LYS C . 50867 1 46 . 1 . 1 10 10 LYS CA C 13 58.418 0.010 . 1 . . . . . 349 LYS CA . 50867 1 47 . 1 . 1 10 10 LYS CB C 13 32.166 0.010 . 1 . . . . . 349 LYS CB . 50867 1 48 . 1 . 1 10 10 LYS N N 15 119.166 0.010 . 1 . . . . . 349 LYS N . 50867 1 49 . 1 . 1 11 11 ARG H H 1 8.131 0.010 . 1 . . . . . 350 ARG H . 50867 1 50 . 1 . 1 11 11 ARG HA H 1 3.650 0.010 . 1 . . . . . 350 ARG HA . 50867 1 51 . 1 . 1 11 11 ARG C C 13 177.550 0.050 . 1 . . . . . 350 ARG C . 50867 1 52 . 1 . 1 11 11 ARG CA C 13 60.820 0.010 . 1 . . . . . 350 ARG CA . 50867 1 53 . 1 . 1 11 11 ARG CB C 13 30.213 0.010 . 1 . . . . . 350 ARG CB . 50867 1 54 . 1 . 1 11 11 ARG N N 15 117.964 0.010 . 1 . . . . . 350 ARG N . 50867 1 55 . 1 . 1 12 12 LYS H H 1 7.506 0.010 . 1 . . . . . 351 LYS H . 50867 1 56 . 1 . 1 12 12 LYS HA H 1 4.149 0.010 . 1 . . . . . 351 LYS HA . 50867 1 57 . 1 . 1 12 12 LYS C C 13 178.649 0.050 . 1 . . . . . 351 LYS C . 50867 1 58 . 1 . 1 12 12 LYS CA C 13 59.291 0.010 . 1 . . . . . 351 LYS CA . 50867 1 59 . 1 . 1 12 12 LYS CB C 13 31.958 0.010 . 1 . . . . . 351 LYS CB . 50867 1 60 . 1 . 1 12 12 LYS N N 15 118.802 0.010 . 1 . . . . . 351 LYS N . 50867 1 61 . 1 . 1 13 13 LEU H H 1 7.514 0.010 . 1 . . . . . 352 LEU H . 50867 1 62 . 1 . 1 13 13 LEU HA H 1 4.083 0.010 . 1 . . . . . 352 LEU HA . 50867 1 63 . 1 . 1 13 13 LEU C C 13 180.479 0.050 . 1 . . . . . 352 LEU C . 50867 1 64 . 1 . 1 13 13 LEU CA C 13 57.794 0.010 . 1 . . . . . 352 LEU CA . 50867 1 65 . 1 . 1 13 13 LEU CB C 13 41.586 0.010 . 1 . . . . . 352 LEU CB . 50867 1 66 . 1 . 1 13 13 LEU N N 15 118.095 0.010 . 1 . . . . . 352 LEU N . 50867 1 67 . 1 . 1 14 14 ILE H H 1 8.221 0.010 . 1 . . . . . 353 ILE H . 50867 1 68 . 1 . 1 14 14 ILE HA H 1 3.397 0.010 . 1 . . . . . 353 ILE HA . 50867 1 69 . 1 . 1 14 14 ILE C C 13 176.861 0.050 . 1 . . . . . 353 ILE C . 50867 1 70 . 1 . 1 14 14 ILE CA C 13 65.497 0.010 . 1 . . . . . 353 ILE CA . 50867 1 71 . 1 . 1 14 14 ILE CB C 13 37.635 0.010 . 1 . . . . . 353 ILE CB . 50867 1 72 . 1 . 1 14 14 ILE N N 15 121.719 0.010 . 1 . . . . . 353 ILE N . 50867 1 73 . 1 . 1 15 15 GLN H H 1 8.235 0.010 . 1 . . . . . 354 GLN H . 50867 1 74 . 1 . 1 15 15 GLN HA H 1 3.762 0.010 . 1 . . . . . 354 GLN HA . 50867 1 75 . 1 . 1 15 15 GLN C C 13 177.638 0.050 . 1 . . . . . 354 GLN C . 50867 1 76 . 1 . 1 15 15 GLN CA C 13 59.735 0.010 . 1 . . . . . 354 GLN CA . 50867 1 77 . 1 . 1 15 15 GLN CB C 13 30.023 0.010 . 1 . . . . . 354 GLN CB . 50867 1 78 . 1 . 1 15 15 GLN N N 15 119.055 0.010 . 1 . . . . . 354 GLN N . 50867 1 79 . 1 . 1 16 16 GLN H H 1 8.187 0.010 . 1 . . . . . 355 GLN H . 50867 1 80 . 1 . 1 16 16 GLN HA H 1 3.906 0.010 . 1 . . . . . 355 GLN HA . 50867 1 81 . 1 . 1 16 16 GLN C C 13 176.815 0.050 . 1 . . . . . 355 GLN C . 50867 1 82 . 1 . 1 16 16 GLN CA C 13 59.415 0.010 . 1 . . . . . 355 GLN CA . 50867 1 83 . 1 . 1 16 16 GLN CB C 13 28.706 0.010 . 1 . . . . . 355 GLN CB . 50867 1 84 . 1 . 1 16 16 GLN N N 15 116.414 0.010 . 1 . . . . . 355 GLN N . 50867 1 85 . 1 . 1 17 17 GLN H H 1 8.034 0.010 . 1 . . . . . 356 GLN H . 50867 1 86 . 1 . 1 17 17 GLN HA H 1 3.730 0.010 . 1 . . . . . 356 GLN HA . 50867 1 87 . 1 . 1 17 17 GLN C C 13 177.491 0.050 . 1 . . . . . 356 GLN C . 50867 1 88 . 1 . 1 17 17 GLN CA C 13 60.269 0.010 . 1 . . . . . 356 GLN CA . 50867 1 89 . 1 . 1 17 17 GLN CB C 13 27.717 0.010 . 1 . . . . . 356 GLN CB . 50867 1 90 . 1 . 1 17 17 GLN N N 15 119.464 0.010 . 1 . . . . . 356 GLN N . 50867 1 91 . 1 . 1 18 18 LEU H H 1 8.628 0.010 . 1 . . . . . 357 LEU H . 50867 1 92 . 1 . 1 18 18 LEU HA H 1 3.889 0.010 . 1 . . . . . 357 LEU HA . 50867 1 93 . 1 . 1 18 18 LEU C C 13 177.289 0.050 . 1 . . . . . 357 LEU C . 50867 1 94 . 1 . 1 18 18 LEU CA C 13 58.477 0.010 . 1 . . . . . 357 LEU CA . 50867 1 95 . 1 . 1 18 18 LEU CB C 13 41.049 0.010 . 1 . . . . . 357 LEU CB . 50867 1 96 . 1 . 1 18 18 LEU N N 15 119.488 0.010 . 1 . . . . . 357 LEU N . 50867 1 97 . 1 . 1 19 19 VAL H H 1 8.034 0.010 . 1 . . . . . 358 VAL H . 50867 1 98 . 1 . 1 19 19 VAL HA H 1 3.263 0.010 . 1 . . . . . 358 VAL HA . 50867 1 99 . 1 . 1 19 19 VAL C C 13 177.496 0.050 . 1 . . . . . 358 VAL C . 50867 1 100 . 1 . 1 19 19 VAL CA C 13 67.599 0.010 . 1 . . . . . 358 VAL CA . 50867 1 101 . 1 . 1 19 19 VAL CB C 13 31.507 0.010 . 1 . . . . . 358 VAL CB . 50867 1 102 . 1 . 1 19 19 VAL N N 15 117.362 0.010 . 1 . . . . . 358 VAL N . 50867 1 103 . 1 . 1 20 20 LEU H H 1 8.001 0.010 . 1 . . . . . 359 LEU H . 50867 1 104 . 1 . 1 20 20 LEU HA H 1 3.941 0.010 . 1 . . . . . 359 LEU HA . 50867 1 105 . 1 . 1 20 20 LEU C C 13 178.827 0.050 . 1 . . . . . 359 LEU C . 50867 1 106 . 1 . 1 20 20 LEU CA C 13 58.113 0.010 . 1 . . . . . 359 LEU CA . 50867 1 107 . 1 . 1 20 20 LEU CB C 13 42.359 0.010 . 1 . . . . . 359 LEU CB . 50867 1 108 . 1 . 1 20 20 LEU N N 15 118.979 0.010 . 1 . . . . . 359 LEU N . 50867 1 109 . 1 . 1 21 21 LEU H H 1 8.647 0.010 . 1 . . . . . 360 LEU H . 50867 1 110 . 1 . 1 21 21 LEU HA H 1 3.822 0.010 . 1 . . . . . 360 LEU HA . 50867 1 111 . 1 . 1 21 21 LEU C C 13 178.376 0.050 . 1 . . . . . 360 LEU C . 50867 1 112 . 1 . 1 21 21 LEU CA C 13 58.922 0.010 . 1 . . . . . 360 LEU CA . 50867 1 113 . 1 . 1 21 21 LEU CB C 13 43.271 0.010 . 1 . . . . . 360 LEU CB . 50867 1 114 . 1 . 1 21 21 LEU N N 15 121.105 0.010 . 1 . . . . . 360 LEU N . 50867 1 115 . 1 . 1 22 22 LEU H H 1 8.160 0.010 . 1 . . . . . 361 LEU H . 50867 1 116 . 1 . 1 22 22 LEU HA H 1 3.803 0.010 . 1 . . . . . 361 LEU HA . 50867 1 117 . 1 . 1 22 22 LEU C C 13 179.475 0.050 . 1 . . . . . 361 LEU C . 50867 1 118 . 1 . 1 22 22 LEU CA C 13 58.012 0.010 . 1 . . . . . 361 LEU CA . 50867 1 119 . 1 . 1 22 22 LEU CB C 13 41.305 0.010 . 1 . . . . . 361 LEU CB . 50867 1 120 . 1 . 1 22 22 LEU N N 15 117.815 0.010 . 1 . . . . . 361 LEU N . 50867 1 121 . 1 . 1 23 23 HIS H H 1 8.740 0.010 . 1 . . . . . 362 HIS H . 50867 1 122 . 1 . 1 23 23 HIS HA H 1 3.878 0.010 . 1 . . . . . 362 HIS HA . 50867 1 123 . 1 . 1 23 23 HIS C C 13 176.141 0.050 . 1 . . . . . 362 HIS C . 50867 1 124 . 1 . 1 23 23 HIS CA C 13 60.925 0.010 . 1 . . . . . 362 HIS CA . 50867 1 125 . 1 . 1 23 23 HIS CB C 13 27.326 0.010 . 1 . . . . . 362 HIS CB . 50867 1 126 . 1 . 1 23 23 HIS N N 15 116.454 0.010 . 1 . . . . . 362 HIS N . 50867 1 127 . 1 . 1 24 24 ALA H H 1 9.033 0.010 . 1 . . . . . 363 ALA H . 50867 1 128 . 1 . 1 24 24 ALA HA H 1 3.995 0.010 . 1 . . . . . 363 ALA HA . 50867 1 129 . 1 . 1 24 24 ALA C C 13 178.820 0.050 . 1 . . . . . 363 ALA C . 50867 1 130 . 1 . 1 24 24 ALA CA C 13 55.309 0.010 . 1 . . . . . 363 ALA CA . 50867 1 131 . 1 . 1 24 24 ALA CB C 13 19.112 0.010 . 1 . . . . . 363 ALA CB . 50867 1 132 . 1 . 1 24 24 ALA N N 15 121.905 0.010 . 1 . . . . . 363 ALA N . 50867 1 133 . 1 . 1 25 25 HIS H H 1 8.154 0.010 . 1 . . . . . 364 HIS H . 50867 1 134 . 1 . 1 25 25 HIS CA C 13 61.151 0.010 . 1 . . . . . 364 HIS CA . 50867 1 135 . 1 . 1 25 25 HIS CB C 13 30.870 0.010 . 1 . . . . . 364 HIS CB . 50867 1 136 . 1 . 1 25 25 HIS N N 15 117.470 0.010 . 1 . . . . . 364 HIS N . 50867 1 137 . 1 . 1 27 27 CYS H H 1 8.882 0.010 . 1 . . . . . 366 CYS H . 50867 1 138 . 1 . 1 27 27 CYS CA C 13 62.828 0.010 . 1 . . . . . 366 CYS CA . 50867 1 139 . 1 . 1 27 27 CYS N N 15 123.772 0.010 . 1 . . . . . 366 CYS N . 50867 1 140 . 1 . 1 28 28 GLN H H 1 8.357 0.010 . 1 . . . . . 367 GLN H . 50867 1 141 . 1 . 1 28 28 GLN C C 13 177.509 0.050 . 1 . . . . . 367 GLN C . 50867 1 142 . 1 . 1 28 28 GLN CA C 13 58.099 0.010 . 1 . . . . . 367 GLN CA . 50867 1 143 . 1 . 1 28 28 GLN CB C 13 29.134 0.010 . 1 . . . . . 367 GLN CB . 50867 1 144 . 1 . 1 28 28 GLN N N 15 119.304 0.010 . 1 . . . . . 367 GLN N . 50867 1 145 . 1 . 1 29 29 ARG H H 1 7.635 0.010 . 1 . . . . . 368 ARG H . 50867 1 146 . 1 . 1 29 29 ARG HA H 1 4.011 0.010 . 1 . . . . . 368 ARG HA . 50867 1 147 . 1 . 1 29 29 ARG C C 13 178.368 0.050 . 1 . . . . . 368 ARG C . 50867 1 148 . 1 . 1 29 29 ARG CA C 13 58.282 0.010 . 1 . . . . . 368 ARG CA . 50867 1 149 . 1 . 1 29 29 ARG CB C 13 29.633 0.010 . 1 . . . . . 368 ARG CB . 50867 1 150 . 1 . 1 29 29 ARG N N 15 119.354 0.010 . 1 . . . . . 368 ARG N . 50867 1 151 . 1 . 1 30 30 ARG H H 1 7.840 0.010 . 1 . . . . . 369 ARG H . 50867 1 152 . 1 . 1 30 30 ARG HA H 1 4.147 0.010 . 1 . . . . . 369 ARG HA . 50867 1 153 . 1 . 1 30 30 ARG C C 13 177.724 0.050 . 1 . . . . . 369 ARG C . 50867 1 154 . 1 . 1 30 30 ARG CA C 13 58.078 0.010 . 1 . . . . . 369 ARG CA . 50867 1 155 . 1 . 1 30 30 ARG CB C 13 30.310 0.010 . 1 . . . . . 369 ARG CB . 50867 1 156 . 1 . 1 30 30 ARG N N 15 120.050 0.010 . 1 . . . . . 369 ARG N . 50867 1 157 . 1 . 1 31 31 GLU H H 1 8.033 0.010 . 1 . . . . . 370 GLU H . 50867 1 158 . 1 . 1 31 31 GLU HA H 1 4.143 0.010 . 1 . . . . . 370 GLU HA . 50867 1 159 . 1 . 1 31 31 GLU C C 13 178.013 0.050 . 1 . . . . . 370 GLU C . 50867 1 160 . 1 . 1 31 31 GLU CA C 13 58.186 0.010 . 1 . . . . . 370 GLU CA . 50867 1 161 . 1 . 1 31 31 GLU CB C 13 29.878 0.010 . 1 . . . . . 370 GLU CB . 50867 1 162 . 1 . 1 31 31 GLU N N 15 120.226 0.010 . 1 . . . . . 370 GLU N . 50867 1 163 . 1 . 1 32 32 GLN H H 1 8.124 0.010 . 1 . . . . . 371 GLN H . 50867 1 164 . 1 . 1 32 32 GLN HA H 1 4.204 0.010 . 1 . . . . . 371 GLN HA . 50867 1 165 . 1 . 1 32 32 GLN C C 13 176.906 0.050 . 1 . . . . . 371 GLN C . 50867 1 166 . 1 . 1 32 32 GLN CA C 13 56.848 0.010 . 1 . . . . . 371 GLN CA . 50867 1 167 . 1 . 1 32 32 GLN CB C 13 28.904 0.010 . 1 . . . . . 371 GLN CB . 50867 1 168 . 1 . 1 32 32 GLN N N 15 118.630 0.010 . 1 . . . . . 371 GLN N . 50867 1 169 . 1 . 1 33 33 ALA H H 1 7.962 0.010 . 1 . . . . . 372 ALA H . 50867 1 170 . 1 . 1 33 33 ALA HA H 1 4.268 0.010 . 1 . . . . . 372 ALA HA . 50867 1 171 . 1 . 1 33 33 ALA C C 13 178.023 0.050 . 1 . . . . . 372 ALA C . 50867 1 172 . 1 . 1 33 33 ALA CA C 13 53.423 0.010 . 1 . . . . . 372 ALA CA . 50867 1 173 . 1 . 1 33 33 ALA CB C 13 19.164 0.010 . 1 . . . . . 372 ALA CB . 50867 1 174 . 1 . 1 33 33 ALA N N 15 122.436 0.010 . 1 . . . . . 372 ALA N . 50867 1 175 . 1 . 1 34 34 ASN H H 1 8.121 0.010 . 1 . . . . . 373 ASN H . 50867 1 176 . 1 . 1 34 34 ASN HA H 1 4.699 0.010 . 1 . . . . . 373 ASN HA . 50867 1 177 . 1 . 1 34 34 ASN C C 13 175.705 0.050 . 1 . . . . . 373 ASN C . 50867 1 178 . 1 . 1 34 34 ASN CA C 13 53.332 0.010 . 1 . . . . . 373 ASN CA . 50867 1 179 . 1 . 1 34 34 ASN CB C 13 39.117 0.010 . 1 . . . . . 373 ASN CB . 50867 1 180 . 1 . 1 34 34 ASN N N 15 115.289 0.010 . 1 . . . . . 373 ASN N . 50867 1 181 . 1 . 1 35 35 GLY H H 1 8.239 0.010 . 1 . . . . . 374 GLY H . 50867 1 182 . 1 . 1 35 35 GLY HA2 H 1 3.950 0.010 . 1 . . . . . 374 GLY HA . 50867 1 183 . 1 . 1 35 35 GLY HA3 H 1 3.950 0.010 . 1 . . . . . 374 GLY HA . 50867 1 184 . 1 . 1 35 35 GLY C C 13 174.051 0.050 . 1 . . . . . 374 GLY C . 50867 1 185 . 1 . 1 35 35 GLY CA C 13 45.742 0.010 . 1 . . . . . 374 GLY CA . 50867 1 186 . 1 . 1 35 35 GLY N N 15 109.030 0.010 . 1 . . . . . 374 GLY N . 50867 1 187 . 1 . 1 36 36 GLU H H 1 8.129 0.010 . 1 . . . . . 375 GLU H . 50867 1 188 . 1 . 1 36 36 GLU HA H 1 4.313 0.010 . 1 . . . . . 375 GLU HA . 50867 1 189 . 1 . 1 36 36 GLU C C 13 176.131 0.050 . 1 . . . . . 375 GLU C . 50867 1 190 . 1 . 1 36 36 GLU CA C 13 56.104 0.010 . 1 . . . . . 375 GLU CA . 50867 1 191 . 1 . 1 36 36 GLU CB C 13 30.457 0.010 . 1 . . . . . 375 GLU CB . 50867 1 192 . 1 . 1 36 36 GLU N N 15 120.022 0.010 . 1 . . . . . 375 GLU N . 50867 1 193 . 1 . 1 37 37 VAL H H 1 8.134 0.010 . 1 . . . . . 376 VAL H . 50867 1 194 . 1 . 1 37 37 VAL HA H 1 4.064 0.010 . 1 . . . . . 376 VAL HA . 50867 1 195 . 1 . 1 37 37 VAL C C 13 175.992 0.050 . 1 . . . . . 376 VAL C . 50867 1 196 . 1 . 1 37 37 VAL CA C 13 62.369 0.010 . 1 . . . . . 376 VAL CA . 50867 1 197 . 1 . 1 37 37 VAL CB C 13 32.706 0.010 . 1 . . . . . 376 VAL CB . 50867 1 198 . 1 . 1 37 37 VAL N N 15 121.772 0.010 . 1 . . . . . 376 VAL N . 50867 1 199 . 1 . 1 38 38 ARG H H 1 8.515 0.010 . 1 . . . . . 377 ARG H . 50867 1 200 . 1 . 1 38 38 ARG C C 13 175.493 0.050 . 1 . . . . . 377 ARG C . 50867 1 201 . 1 . 1 38 38 ARG CA C 13 55.497 0.010 . 1 . . . . . 377 ARG CA . 50867 1 202 . 1 . 1 38 38 ARG CB C 13 31.070 0.010 . 1 . . . . . 377 ARG CB . 50867 1 203 . 1 . 1 38 38 ARG N N 15 125.713 0.010 . 1 . . . . . 377 ARG N . 50867 1 204 . 1 . 1 39 39 ALA H H 1 8.462 0.010 . 1 . . . . . 378 ALA H . 50867 1 205 . 1 . 1 39 39 ALA HA H 1 4.220 0.010 . 1 . . . . . 378 ALA HA . 50867 1 206 . 1 . 1 39 39 ALA C C 13 176.981 0.050 . 1 . . . . . 378 ALA C . 50867 1 207 . 1 . 1 39 39 ALA CA C 13 52.242 0.010 . 1 . . . . . 378 ALA CA . 50867 1 208 . 1 . 1 39 39 ALA CB C 13 19.254 0.010 . 1 . . . . . 378 ALA CB . 50867 1 209 . 1 . 1 39 39 ALA N N 15 126.910 0.010 . 1 . . . . . 378 ALA N . 50867 1 210 . 1 . 1 40 40 CYS H H 1 8.509 0.010 . 1 . . . . . 379 CYS H . 50867 1 211 . 1 . 1 40 40 CYS C C 13 176.391 0.050 . 1 . . . . . 379 CYS C . 50867 1 212 . 1 . 1 40 40 CYS CA C 13 60.107 0.010 . 1 . . . . . 379 CYS CA . 50867 1 213 . 1 . 1 40 40 CYS CB C 13 30.150 0.010 . 1 . . . . . 379 CYS CB . 50867 1 214 . 1 . 1 40 40 CYS N N 15 124.606 0.010 . 1 . . . . . 379 CYS N . 50867 1 215 . 1 . 1 47 47 THR H H 1 7.484 0.010 . 1 . . . . . 386 THR H . 50867 1 216 . 1 . 1 47 47 THR N N 15 114.414 0.010 . 1 . . . . . 386 THR N . 50867 1 217 . 1 . 1 49 49 LYS H H 1 9.248 0.010 . 1 . . . . . 388 LYS H . 50867 1 218 . 1 . 1 49 49 LYS HA H 1 3.851 0.010 . 1 . . . . . 388 LYS HA . 50867 1 219 . 1 . 1 49 49 LYS C C 13 179.022 0.050 . 1 . . . . . 388 LYS C . 50867 1 220 . 1 . 1 49 49 LYS CA C 13 61.277 0.010 . 1 . . . . . 388 LYS CA . 50867 1 221 . 1 . 1 49 49 LYS CB C 13 33.010 0.010 . 1 . . . . . 388 LYS CB . 50867 1 222 . 1 . 1 49 49 LYS N N 15 122.674 0.010 . 1 . . . . . 388 LYS N . 50867 1 223 . 1 . 1 50 50 ASN H H 1 8.134 0.010 . 1 . . . . . 389 ASN H . 50867 1 224 . 1 . 1 50 50 ASN HA H 1 4.552 0.010 . 1 . . . . . 389 ASN HA . 50867 1 225 . 1 . 1 50 50 ASN C C 13 179.229 0.050 . 1 . . . . . 389 ASN C . 50867 1 226 . 1 . 1 50 50 ASN CA C 13 56.023 0.010 . 1 . . . . . 389 ASN CA . 50867 1 227 . 1 . 1 50 50 ASN CB C 13 37.481 0.010 . 1 . . . . . 389 ASN CB . 50867 1 228 . 1 . 1 50 50 ASN N N 15 117.232 0.010 . 1 . . . . . 389 ASN N . 50867 1 229 . 1 . 1 51 51 VAL H H 1 8.069 0.010 . 1 . . . . . 390 VAL H . 50867 1 230 . 1 . 1 51 51 VAL HA H 1 3.739 0.010 . 1 . . . . . 390 VAL HA . 50867 1 231 . 1 . 1 51 51 VAL C C 13 177.749 0.050 . 1 . . . . . 390 VAL C . 50867 1 232 . 1 . 1 51 51 VAL CA C 13 67.387 0.010 . 1 . . . . . 390 VAL CA . 50867 1 233 . 1 . 1 51 51 VAL CB C 13 31.791 0.010 . 1 . . . . . 390 VAL CB . 50867 1 234 . 1 . 1 51 51 VAL N N 15 124.109 0.010 . 1 . . . . . 390 VAL N . 50867 1 235 . 1 . 1 52 52 LEU H H 1 8.697 0.010 . 1 . . . . . 391 LEU H . 50867 1 236 . 1 . 1 52 52 LEU HA H 1 4.057 0.010 . 1 . . . . . 391 LEU HA . 50867 1 237 . 1 . 1 52 52 LEU C C 13 179.754 0.050 . 1 . . . . . 391 LEU C . 50867 1 238 . 1 . 1 52 52 LEU CA C 13 58.713 0.010 . 1 . . . . . 391 LEU CA . 50867 1 239 . 1 . 1 52 52 LEU CB C 13 41.720 0.010 . 1 . . . . . 391 LEU CB . 50867 1 240 . 1 . 1 52 52 LEU N N 15 121.601 0.010 . 1 . . . . . 391 LEU N . 50867 1 241 . 1 . 1 53 53 ASN H H 1 8.224 0.010 . 1 . . . . . 392 ASN H . 50867 1 242 . 1 . 1 53 53 ASN HA H 1 4.500 0.010 . 1 . . . . . 392 ASN HA . 50867 1 243 . 1 . 1 53 53 ASN C C 13 177.972 0.050 . 1 . . . . . 392 ASN C . 50867 1 244 . 1 . 1 53 53 ASN CA C 13 56.104 0.010 . 1 . . . . . 392 ASN CA . 50867 1 245 . 1 . 1 53 53 ASN CB C 13 38.287 0.010 . 1 . . . . . 392 ASN CB . 50867 1 246 . 1 . 1 53 53 ASN N N 15 116.939 0.010 . 1 . . . . . 392 ASN N . 50867 1 247 . 1 . 1 54 54 HIS H H 1 8.108 0.010 . 1 . . . . . 393 HIS H . 50867 1 248 . 1 . 1 54 54 HIS HA H 1 4.351 0.010 . 1 . . . . . 393 HIS HA . 50867 1 249 . 1 . 1 54 54 HIS C C 13 177.464 0.050 . 1 . . . . . 393 HIS C . 50867 1 250 . 1 . 1 54 54 HIS CA C 13 59.408 0.010 . 1 . . . . . 393 HIS CA . 50867 1 251 . 1 . 1 54 54 HIS CB C 13 27.600 0.010 . 1 . . . . . 393 HIS CB . 50867 1 252 . 1 . 1 54 54 HIS N N 15 120.619 0.010 . 1 . . . . . 393 HIS N . 50867 1 253 . 1 . 1 55 55 MET H H 1 9.147 0.010 . 1 . . . . . 394 MET H . 50867 1 254 . 1 . 1 55 55 MET HA H 1 3.666 0.010 . 1 . . . . . 394 MET HA . 50867 1 255 . 1 . 1 55 55 MET C C 13 177.983 0.050 . 1 . . . . . 394 MET C . 50867 1 256 . 1 . 1 55 55 MET CA C 13 59.487 0.010 . 1 . . . . . 394 MET CA . 50867 1 257 . 1 . 1 55 55 MET CB C 13 34.344 0.010 . 1 . . . . . 394 MET CB . 50867 1 258 . 1 . 1 55 55 MET N N 15 119.295 0.010 . 1 . . . . . 394 MET N . 50867 1 259 . 1 . 1 56 56 THR H H 1 7.520 0.010 . 1 . . . . . 395 THR H . 50867 1 260 . 1 . 1 56 56 THR C C 13 174.596 0.050 . 1 . . . . . 395 THR C . 50867 1 261 . 1 . 1 56 56 THR CA C 13 65.506 0.010 . 1 . . . . . 395 THR CA . 50867 1 262 . 1 . 1 56 56 THR CB C 13 69.389 0.010 . 1 . . . . . 395 THR CB . 50867 1 263 . 1 . 1 56 56 THR N N 15 111.036 0.010 . 1 . . . . . 395 THR N . 50867 1 264 . 1 . 1 57 57 HIS H H 1 6.954 0.010 . 1 . . . . . 396 HIS H . 50867 1 265 . 1 . 1 57 57 HIS HA H 1 4.804 0.010 . 1 . . . . . 396 HIS HA . 50867 1 266 . 1 . 1 57 57 HIS C C 13 173.884 0.050 . 1 . . . . . 396 HIS C . 50867 1 267 . 1 . 1 57 57 HIS CA C 13 55.031 0.010 . 1 . . . . . 396 HIS CA . 50867 1 268 . 1 . 1 57 57 HIS CB C 13 30.652 0.010 . 1 . . . . . 396 HIS CB . 50867 1 269 . 1 . 1 57 57 HIS N N 15 115.694 0.010 . 1 . . . . . 396 HIS N . 50867 1 270 . 1 . 1 58 58 CYS H H 1 7.111 0.010 . 1 . . . . . 397 CYS H . 50867 1 271 . 1 . 1 58 58 CYS HA H 1 3.982 0.010 . 1 . . . . . 397 CYS HA . 50867 1 272 . 1 . 1 58 58 CYS C C 13 176.718 0.050 . 1 . . . . . 397 CYS C . 50867 1 273 . 1 . 1 58 58 CYS CA C 13 60.816 0.010 . 1 . . . . . 397 CYS CA . 50867 1 274 . 1 . 1 58 58 CYS CB C 13 29.827 0.010 . 1 . . . . . 397 CYS CB . 50867 1 275 . 1 . 1 58 58 CYS N N 15 123.990 0.010 . 1 . . . . . 397 CYS N . 50867 1 276 . 1 . 1 59 59 GLN H H 1 9.151 0.010 . 1 . . . . . 398 GLN H . 50867 1 277 . 1 . 1 59 59 GLN HA H 1 4.680 0.010 . 1 . . . . . 398 GLN HA . 50867 1 278 . 1 . 1 59 59 GLN C C 13 175.988 0.050 . 1 . . . . . 398 GLN C . 50867 1 279 . 1 . 1 59 59 GLN CA C 13 55.030 0.010 . 1 . . . . . 398 GLN CA . 50867 1 280 . 1 . 1 59 59 GLN CB C 13 29.575 0.010 . 1 . . . . . 398 GLN CB . 50867 1 281 . 1 . 1 59 59 GLN N N 15 128.858 0.010 . 1 . . . . . 398 GLN N . 50867 1 282 . 1 . 1 60 60 ALA H H 1 8.698 0.010 . 1 . . . . . 399 ALA H . 50867 1 283 . 1 . 1 60 60 ALA HA H 1 4.359 0.010 . 1 . . . . . 399 ALA HA . 50867 1 284 . 1 . 1 60 60 ALA C C 13 178.405 0.050 . 1 . . . . . 399 ALA C . 50867 1 285 . 1 . 1 60 60 ALA CA C 13 53.212 0.010 . 1 . . . . . 399 ALA CA . 50867 1 286 . 1 . 1 60 60 ALA CB C 13 19.761 0.010 . 1 . . . . . 399 ALA CB . 50867 1 287 . 1 . 1 60 60 ALA N N 15 125.163 0.010 . 1 . . . . . 399 ALA N . 50867 1 288 . 1 . 1 61 61 GLY H H 1 8.171 0.010 . 1 . . . . . 400 GLY H . 50867 1 289 . 1 . 1 61 61 GLY HA2 H 1 3.585 0.010 . 1 . . . . . 400 GLY HA . 50867 1 290 . 1 . 1 61 61 GLY HA3 H 1 3.585 0.010 . 1 . . . . . 400 GLY HA . 50867 1 291 . 1 . 1 61 61 GLY C C 13 176.536 0.050 . 1 . . . . . 400 GLY C . 50867 1 292 . 1 . 1 61 61 GLY CA C 13 46.199 0.010 . 1 . . . . . 400 GLY CA . 50867 1 293 . 1 . 1 61 61 GLY N N 15 108.260 0.010 . 1 . . . . . 400 GLY N . 50867 1 294 . 1 . 1 62 62 LYS H H 1 9.020 0.010 . 1 . . . . . 401 LYS H . 50867 1 295 . 1 . 1 62 62 LYS C C 13 175.985 0.050 . 1 . . . . . 401 LYS C . 50867 1 296 . 1 . 1 62 62 LYS CA C 13 58.663 0.010 . 1 . . . . . 401 LYS CA . 50867 1 297 . 1 . 1 62 62 LYS CB C 13 32.143 0.010 . 1 . . . . . 401 LYS CB . 50867 1 298 . 1 . 1 62 62 LYS N N 15 125.817 0.010 . 1 . . . . . 401 LYS N . 50867 1 299 . 1 . 1 63 63 ALA H H 1 7.650 0.010 . 1 . . . . . 402 ALA H . 50867 1 300 . 1 . 1 63 63 ALA HA H 1 4.396 0.010 . 1 . . . . . 402 ALA HA . 50867 1 301 . 1 . 1 63 63 ALA C C 13 177.117 0.050 . 1 . . . . . 402 ALA C . 50867 1 302 . 1 . 1 63 63 ALA CA C 13 51.533 0.010 . 1 . . . . . 402 ALA CA . 50867 1 303 . 1 . 1 63 63 ALA CB C 13 19.019 0.010 . 1 . . . . . 402 ALA CB . 50867 1 304 . 1 . 1 63 63 ALA N N 15 119.422 0.010 . 1 . . . . . 402 ALA N . 50867 1 305 . 1 . 1 64 64 CYS H H 1 7.491 0.010 . 1 . . . . . 403 CYS H . 50867 1 306 . 1 . 1 64 64 CYS HA H 1 3.804 0.010 . 1 . . . . . 403 CYS HA . 50867 1 307 . 1 . 1 64 64 CYS C C 13 177.273 0.050 . 1 . . . . . 403 CYS C . 50867 1 308 . 1 . 1 64 64 CYS CA C 13 62.414 0.010 . 1 . . . . . 403 CYS CA . 50867 1 309 . 1 . 1 64 64 CYS CB C 13 29.714 0.010 . 1 . . . . . 403 CYS CB . 50867 1 310 . 1 . 1 64 64 CYS N N 15 122.242 0.010 . 1 . . . . . 403 CYS N . 50867 1 311 . 1 . 1 65 65 GLN H H 1 9.041 0.010 . 1 . . . . . 404 GLN H . 50867 1 312 . 1 . 1 65 65 GLN HA H 1 4.447 0.010 . 1 . . . . . 404 GLN HA . 50867 1 313 . 1 . 1 65 65 GLN C C 13 176.311 0.050 . 1 . . . . . 404 GLN C . 50867 1 314 . 1 . 1 65 65 GLN CA C 13 55.703 0.010 . 1 . . . . . 404 GLN CA . 50867 1 315 . 1 . 1 65 65 GLN CB C 13 29.385 0.010 . 1 . . . . . 404 GLN CB . 50867 1 316 . 1 . 1 65 65 GLN N N 15 129.348 0.010 . 1 . . . . . 404 GLN N . 50867 1 317 . 1 . 1 66 66 VAL H H 1 9.274 0.010 . 1 . . . . . 405 VAL H . 50867 1 318 . 1 . 1 66 66 VAL HA H 1 3.591 0.010 . 1 . . . . . 405 VAL HA . 50867 1 319 . 1 . 1 66 66 VAL C C 13 176.969 0.050 . 1 . . . . . 405 VAL C . 50867 1 320 . 1 . 1 66 66 VAL CA C 13 64.368 0.010 . 1 . . . . . 405 VAL CA . 50867 1 321 . 1 . 1 66 66 VAL CB C 13 30.887 0.010 . 1 . . . . . 405 VAL CB . 50867 1 322 . 1 . 1 66 66 VAL N N 15 127.807 0.010 . 1 . . . . . 405 VAL N . 50867 1 323 . 1 . 1 67 67 ALA H H 1 8.636 0.010 . 1 . . . . . 406 ALA H . 50867 1 324 . 1 . 1 67 67 ALA HA H 1 3.769 0.010 . 1 . . . . . 406 ALA HA . 50867 1 325 . 1 . 1 67 67 ALA C C 13 177.518 0.050 . 1 . . . . . 406 ALA C . 50867 1 326 . 1 . 1 67 67 ALA CA C 13 54.172 0.010 . 1 . . . . . 406 ALA CA . 50867 1 327 . 1 . 1 67 67 ALA CB C 13 17.611 0.010 . 1 . . . . . 406 ALA CB . 50867 1 328 . 1 . 1 67 67 ALA N N 15 134.705 0.010 . 1 . . . . . 406 ALA N . 50867 1 329 . 1 . 1 68 68 HIS H H 1 8.189 0.010 . 1 . . . . . 407 HIS H . 50867 1 330 . 1 . 1 68 68 HIS HA H 1 4.421 0.010 . 1 . . . . . 407 HIS HA . 50867 1 331 . 1 . 1 68 68 HIS C C 13 176.084 0.050 . 1 . . . . . 407 HIS C . 50867 1 332 . 1 . 1 68 68 HIS CA C 13 57.302 0.010 . 1 . . . . . 407 HIS CA . 50867 1 333 . 1 . 1 68 68 HIS CB C 13 29.600 0.010 . 1 . . . . . 407 HIS CB . 50867 1 334 . 1 . 1 68 68 HIS N N 15 110.527 0.010 . 1 . . . . . 407 HIS N . 50867 1 335 . 1 . 1 69 69 CYS H H 1 8.133 0.010 . 1 . . . . . 408 CYS H . 50867 1 336 . 1 . 1 69 69 CYS HA H 1 4.125 0.010 . 1 . . . . . 408 CYS HA . 50867 1 337 . 1 . 1 69 69 CYS C C 13 175.440 0.050 . 1 . . . . . 408 CYS C . 50867 1 338 . 1 . 1 69 69 CYS CA C 13 64.199 0.010 . 1 . . . . . 408 CYS CA . 50867 1 339 . 1 . 1 69 69 CYS CB C 13 29.938 0.010 . 1 . . . . . 408 CYS CB . 50867 1 340 . 1 . 1 69 69 CYS N N 15 126.827 0.010 . 1 . . . . . 408 CYS N . 50867 1 341 . 1 . 1 70 70 ALA H H 1 8.804 0.010 . 1 . . . . . 409 ALA H . 50867 1 342 . 1 . 1 70 70 ALA HA H 1 4.291 0.010 . 1 . . . . . 409 ALA HA . 50867 1 343 . 1 . 1 70 70 ALA C C 13 182.291 0.050 . 1 . . . . . 409 ALA C . 50867 1 344 . 1 . 1 70 70 ALA CA C 13 55.487 0.010 . 1 . . . . . 409 ALA CA . 50867 1 345 . 1 . 1 70 70 ALA CB C 13 18.020 0.010 . 1 . . . . . 409 ALA CB . 50867 1 346 . 1 . 1 70 70 ALA N N 15 118.912 0.010 . 1 . . . . . 409 ALA N . 50867 1 347 . 1 . 1 71 71 SER H H 1 9.038 0.010 . 1 . . . . . 410 SER H . 50867 1 348 . 1 . 1 71 71 SER HA H 1 3.759 0.010 . 1 . . . . . 410 SER HA . 50867 1 349 . 1 . 1 71 71 SER C C 13 176.718 0.050 . 1 . . . . . 410 SER C . 50867 1 350 . 1 . 1 71 71 SER CA C 13 60.251 0.010 . 1 . . . . . 410 SER CA . 50867 1 351 . 1 . 1 71 71 SER CB C 13 61.779 0.010 . 1 . . . . . 410 SER CB . 50867 1 352 . 1 . 1 71 71 SER N N 15 114.418 0.010 . 1 . . . . . 410 SER N . 50867 1 353 . 1 . 1 72 72 SER H H 1 7.836 0.010 . 1 . . . . . 411 SER H . 50867 1 354 . 1 . 1 72 72 SER HA H 1 4.453 0.010 . 1 . . . . . 411 SER HA . 50867 1 355 . 1 . 1 72 72 SER C C 13 175.333 0.050 . 1 . . . . . 411 SER C . 50867 1 356 . 1 . 1 72 72 SER CA C 13 64.293 0.010 . 1 . . . . . 411 SER CA . 50867 1 357 . 1 . 1 72 72 SER CB C 13 62.716 0.010 . 1 . . . . . 411 SER CB . 50867 1 358 . 1 . 1 72 72 SER N N 15 120.479 0.010 . 1 . . . . . 411 SER N . 50867 1 359 . 1 . 1 73 73 ARG H H 1 8.932 0.010 . 1 . . . . . 412 ARG H . 50867 1 360 . 1 . 1 73 73 ARG HA H 1 3.794 0.010 . 1 . . . . . 412 ARG HA . 50867 1 361 . 1 . 1 73 73 ARG C C 13 179.521 0.050 . 1 . . . . . 412 ARG C . 50867 1 362 . 1 . 1 73 73 ARG CA C 13 60.319 0.010 . 1 . . . . . 412 ARG CA . 50867 1 363 . 1 . 1 73 73 ARG CB C 13 30.304 0.010 . 1 . . . . . 412 ARG CB . 50867 1 364 . 1 . 1 73 73 ARG N N 15 122.397 0.010 . 1 . . . . . 412 ARG N . 50867 1 365 . 1 . 1 74 74 GLN H H 1 7.874 0.010 . 1 . . . . . 413 GLN H . 50867 1 366 . 1 . 1 74 74 GLN C C 13 178.431 0.050 . 1 . . . . . 413 GLN C . 50867 1 367 . 1 . 1 74 74 GLN CA C 13 58.635 0.010 . 1 . . . . . 413 GLN CA . 50867 1 368 . 1 . 1 74 74 GLN CB C 13 27.504 0.010 . 1 . . . . . 413 GLN CB . 50867 1 369 . 1 . 1 74 74 GLN N N 15 119.330 0.010 . 1 . . . . . 413 GLN N . 50867 1 370 . 1 . 1 75 75 ILE H H 1 8.774 0.010 . 1 . . . . . 414 ILE H . 50867 1 371 . 1 . 1 75 75 ILE HA H 1 3.510 0.010 . 1 . . . . . 414 ILE HA . 50867 1 372 . 1 . 1 75 75 ILE C C 13 177.947 0.050 . 1 . . . . . 414 ILE C . 50867 1 373 . 1 . 1 75 75 ILE CA C 13 66.806 0.010 . 1 . . . . . 414 ILE CA . 50867 1 374 . 1 . 1 75 75 ILE CB C 13 38.717 0.010 . 1 . . . . . 414 ILE CB . 50867 1 375 . 1 . 1 75 75 ILE N N 15 122.003 0.010 . 1 . . . . . 414 ILE N . 50867 1 376 . 1 . 1 76 76 ILE H H 1 8.891 0.010 . 1 . . . . . 415 ILE H . 50867 1 377 . 1 . 1 76 76 ILE HA H 1 3.832 0.010 . 1 . . . . . 415 ILE HA . 50867 1 378 . 1 . 1 76 76 ILE C C 13 177.928 0.050 . 1 . . . . . 415 ILE C . 50867 1 379 . 1 . 1 76 76 ILE CA C 13 64.937 0.010 . 1 . . . . . 415 ILE CA . 50867 1 380 . 1 . 1 76 76 ILE CB C 13 37.108 0.010 . 1 . . . . . 415 ILE CB . 50867 1 381 . 1 . 1 76 76 ILE N N 15 119.899 0.010 . 1 . . . . . 415 ILE N . 50867 1 382 . 1 . 1 77 77 SER H H 1 8.039 0.010 . 1 . . . . . 416 SER H . 50867 1 383 . 1 . 1 77 77 SER CA C 13 62.766 0.010 . 1 . . . . . 416 SER CA . 50867 1 384 . 1 . 1 77 77 SER N N 15 115.451 0.010 . 1 . . . . . 416 SER N . 50867 1 385 . 1 . 1 82 82 CYS H H 1 7.166 0.010 . 1 . . . . . 421 CYS H . 50867 1 386 . 1 . 1 82 82 CYS N N 15 123.228 0.010 . 1 . . . . . 421 CYS N . 50867 1 387 . 1 . 1 87 87 CYS H H 1 7.053 0.010 . 1 . . . . . 426 CYS H . 50867 1 388 . 1 . 1 87 87 CYS N N 15 122.490 0.010 . 1 . . . . . 426 CYS N . 50867 1 389 . 1 . 1 88 88 PRO HA H 1 4.376 0.010 . 1 . . . . . 427 PRO HA . 50867 1 390 . 1 . 1 88 88 PRO C C 13 178.215 0.050 . 1 . . . . . 427 PRO C . 50867 1 391 . 1 . 1 88 88 PRO CA C 13 64.390 0.010 . 1 . . . . . 427 PRO CA . 50867 1 392 . 1 . 1 88 88 PRO CB C 13 32.493 0.010 . 1 . . . . . 427 PRO CB . 50867 1 393 . 1 . 1 89 89 VAL H H 1 8.524 0.010 . 1 . . . . . 428 VAL H . 50867 1 394 . 1 . 1 89 89 VAL C C 13 176.744 0.050 . 1 . . . . . 428 VAL C . 50867 1 395 . 1 . 1 89 89 VAL CA C 13 66.428 0.010 . 1 . . . . . 428 VAL CA . 50867 1 396 . 1 . 1 89 89 VAL CB C 13 32.604 0.010 . 1 . . . . . 428 VAL CB . 50867 1 397 . 1 . 1 89 89 VAL N N 15 120.761 0.010 . 1 . . . . . 428 VAL N . 50867 1 398 . 1 . 1 90 90 CYS H H 1 8.336 0.010 . 1 . . . . . 429 CYS H . 50867 1 399 . 1 . 1 90 90 CYS C C 13 177.341 0.050 . 1 . . . . . 429 CYS C . 50867 1 400 . 1 . 1 90 90 CYS CA C 13 62.602 0.010 . 1 . . . . . 429 CYS CA . 50867 1 401 . 1 . 1 90 90 CYS CB C 13 31.145 0.010 . 1 . . . . . 429 CYS CB . 50867 1 402 . 1 . 1 90 90 CYS N N 15 118.494 0.010 . 1 . . . . . 429 CYS N . 50867 1 403 . 1 . 1 91 91 LEU H H 1 7.699 0.010 . 1 . . . . . 430 LEU H . 50867 1 404 . 1 . 1 91 91 LEU N N 15 120.377 0.010 . 1 . . . . . 430 LEU N . 50867 1 405 . 1 . 1 93 93 LEU H H 1 7.645 0.010 . 1 . . . . . 432 LEU H . 50867 1 406 . 1 . 1 93 93 LEU C C 13 178.187 0.050 . 1 . . . . . 432 LEU C . 50867 1 407 . 1 . 1 93 93 LEU CA C 13 56.167 0.010 . 1 . . . . . 432 LEU CA . 50867 1 408 . 1 . 1 93 93 LEU N N 15 115.343 0.010 . 1 . . . . . 432 LEU N . 50867 1 409 . 1 . 1 94 94 LYS H H 1 7.931 0.010 . 1 . . . . . 433 LYS H . 50867 1 410 . 1 . 1 94 94 LYS HA H 1 4.246 0.010 . 1 . . . . . 433 LYS HA . 50867 1 411 . 1 . 1 94 94 LYS C C 13 177.942 0.050 . 1 . . . . . 433 LYS C . 50867 1 412 . 1 . 1 94 94 LYS CA C 13 58.135 0.010 . 1 . . . . . 433 LYS CA . 50867 1 413 . 1 . 1 94 94 LYS CB C 13 32.771 0.010 . 1 . . . . . 433 LYS CB . 50867 1 414 . 1 . 1 94 94 LYS N N 15 120.201 0.010 . 1 . . . . . 433 LYS N . 50867 1 415 . 1 . 1 95 95 ASN H H 1 8.471 0.010 . 1 . . . . . 434 ASN H . 50867 1 416 . 1 . 1 95 95 ASN C C 13 175.995 0.050 . 1 . . . . . 434 ASN C . 50867 1 417 . 1 . 1 95 95 ASN CA C 13 54.027 0.010 . 1 . . . . . 434 ASN CA . 50867 1 418 . 1 . 1 95 95 ASN CB C 13 38.574 0.010 . 1 . . . . . 434 ASN CB . 50867 1 419 . 1 . 1 95 95 ASN N N 15 117.527 0.010 . 1 . . . . . 434 ASN N . 50867 1 420 . 1 . 1 96 96 ALA H H 1 7.917 0.010 . 1 . . . . . 435 ALA H . 50867 1 421 . 1 . 1 96 96 ALA HA H 1 4.318 0.010 . 1 . . . . . 435 ALA HA . 50867 1 422 . 1 . 1 96 96 ALA C C 13 177.781 0.050 . 1 . . . . . 435 ALA C . 50867 1 423 . 1 . 1 96 96 ALA CA C 13 53.344 0.010 . 1 . . . . . 435 ALA CA . 50867 1 424 . 1 . 1 96 96 ALA CB C 13 19.213 0.010 . 1 . . . . . 435 ALA CB . 50867 1 425 . 1 . 1 96 96 ALA N N 15 122.515 0.010 . 1 . . . . . 435 ALA N . 50867 1 426 . 1 . 1 97 97 SER H H 1 8.017 0.010 . 1 . . . . . 436 SER H . 50867 1 427 . 1 . 1 97 97 SER HA H 1 3.958 0.010 . 1 . . . . . 436 SER HA . 50867 1 428 . 1 . 1 97 97 SER C C 13 174.264 0.050 . 1 . . . . . 436 SER C . 50867 1 429 . 1 . 1 97 97 SER CA C 13 58.915 0.010 . 1 . . . . . 436 SER CA . 50867 1 430 . 1 . 1 97 97 SER CB C 13 64.241 0.010 . 1 . . . . . 436 SER CB . 50867 1 431 . 1 . 1 97 97 SER N N 15 112.863 0.010 . 1 . . . . . 436 SER N . 50867 1 432 . 1 . 1 98 98 ASP H H 1 8.206 0.010 . 1 . . . . . 437 ASP H . 50867 1 433 . 1 . 1 98 98 ASP HA H 1 4.621 0.010 . 1 . . . . . 437 ASP HA . 50867 1 434 . 1 . 1 98 98 ASP C C 13 176.005 0.050 . 1 . . . . . 437 ASP C . 50867 1 435 . 1 . 1 98 98 ASP CA C 13 54.509 0.010 . 1 . . . . . 437 ASP CA . 50867 1 436 . 1 . 1 98 98 ASP CB C 13 41.113 0.010 . 1 . . . . . 437 ASP CB . 50867 1 437 . 1 . 1 98 98 ASP N N 15 122.138 0.010 . 1 . . . . . 437 ASP N . 50867 1 438 . 1 . 1 99 99 LYS H H 1 8.105 0.010 . 1 . . . . . 438 LYS H . 50867 1 439 . 1 . 1 99 99 LYS HA H 1 4.303 0.010 . 1 . . . . . 438 LYS HA . 50867 1 440 . 1 . 1 99 99 LYS C C 13 175.651 0.050 . 1 . . . . . 438 LYS C . 50867 1 441 . 1 . 1 99 99 LYS CA C 13 56.265 0.010 . 1 . . . . . 438 LYS CA . 50867 1 442 . 1 . 1 99 99 LYS CB C 13 32.650 0.010 . 1 . . . . . 438 LYS CB . 50867 1 443 . 1 . 1 99 99 LYS N N 15 121.758 0.010 . 1 . . . . . 438 LYS N . 50867 1 444 . 1 . 1 100 100 ARG H H 1 7.930 0.010 . 1 . . . . . 439 ARG H . 50867 1 445 . 1 . 1 100 100 ARG C C 13 181.090 0.050 . 1 . . . . . 439 ARG C . 50867 1 446 . 1 . 1 100 100 ARG CA C 13 57.433 0.010 . 1 . . . . . 439 ARG CA . 50867 1 447 . 1 . 1 100 100 ARG CB C 13 31.593 0.010 . 1 . . . . . 439 ARG CB . 50867 1 448 . 1 . 1 100 100 ARG N N 15 127.781 0.010 . 1 . . . . . 439 ARG N . 50867 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 50867 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name fusion_TAZ1 _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 2 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2 _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 8 '2D 1H-15N HSQC' . . . 50867 2 9 '3D HNCO' . . . 50867 2 10 '3D HN(CA)CO' . . . 50867 2 11 '3D HNCA' . . . 50867 2 12 '3D HN(CO)CA' . . . 50867 2 13 '3D HNCACB' . . . 50867 2 14 '3D HN(CO)CACB' . . . 50867 2 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 . . 50867 2 2 $software_2 . . 50867 2 3 $software_3 . . 50867 2 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 . 2 . 2 3 3 HIS C C 13 175.426 0.050 . 1 . . . . . 3 HIS C . 50867 2 2 . 2 . 2 3 3 HIS CA C 13 56.555 0.010 . 1 . . . . . 3 HIS CA . 50867 2 3 . 2 . 2 3 3 HIS CB C 13 30.641 0.010 . 1 . . . . . 3 HIS CB . 50867 2 4 . 2 . 2 4 4 MET H H 1 8.354 0.010 . 1 . . . . . 4 MET H . 50867 2 5 . 2 . 2 4 4 MET C C 13 176.167 0.050 . 1 . . . . . 4 MET C . 50867 2 6 . 2 . 2 4 4 MET CA C 13 55.525 0.010 . 1 . . . . . 4 MET CA . 50867 2 7 . 2 . 2 4 4 MET CB C 13 32.917 0.010 . 1 . . . . . 4 MET CB . 50867 2 8 . 2 . 2 4 4 MET N N 15 121.699 0.010 . 1 . . . . . 4 MET N . 50867 2 9 . 2 . 2 5 5 SER H H 1 8.422 0.010 . 1 . . . . . 5 SER H . 50867 2 10 . 2 . 2 5 5 SER C C 13 174.278 0.050 . 1 . . . . . 5 SER C . 50867 2 11 . 2 . 2 5 5 SER CA C 13 58.636 0.010 . 1 . . . . . 5 SER CA . 50867 2 12 . 2 . 2 5 5 SER CB C 13 63.939 0.010 . 1 . . . . . 5 SER CB . 50867 2 13 . 2 . 2 5 5 SER N N 15 116.950 0.010 . 1 . . . . . 5 SER N . 50867 2 14 . 2 . 2 6 6 ASN H H 1 8.488 0.010 . 1 . . . . . 6 ASN H . 50867 2 15 . 2 . 2 6 6 ASN C C 13 175.034 0.050 . 1 . . . . . 6 ASN C . 50867 2 16 . 2 . 2 6 6 ASN CA C 13 53.159 0.010 . 1 . . . . . 6 ASN CA . 50867 2 17 . 2 . 2 6 6 ASN CB C 13 39.004 0.010 . 1 . . . . . 6 ASN CB . 50867 2 18 . 2 . 2 6 6 ASN N N 15 120.649 0.010 . 1 . . . . . 6 ASN N . 50867 2 19 . 2 . 2 7 7 VAL H H 1 8.067 0.010 . 1 . . . . . 7 VAL H . 50867 2 20 . 2 . 2 7 7 VAL C C 13 175.381 0.050 . 1 . . . . . 7 VAL C . 50867 2 21 . 2 . 2 7 7 VAL CA C 13 63.296 0.010 . 1 . . . . . 7 VAL CA . 50867 2 22 . 2 . 2 7 7 VAL CB C 13 32.662 0.010 . 1 . . . . . 7 VAL CB . 50867 2 23 . 2 . 2 7 7 VAL N N 15 119.679 0.010 . 1 . . . . . 7 VAL N . 50867 2 24 . 2 . 2 8 8 ILE H H 1 7.836 0.010 . 1 . . . . . 8 ILE H . 50867 2 25 . 2 . 2 8 8 ILE C C 13 173.525 0.050 . 1 . . . . . 8 ILE C . 50867 2 26 . 2 . 2 8 8 ILE CA C 13 60.709 0.010 . 1 . . . . . 8 ILE CA . 50867 2 27 . 2 . 2 8 8 ILE CB C 13 39.989 0.010 . 1 . . . . . 8 ILE CB . 50867 2 28 . 2 . 2 8 8 ILE N N 15 120.625 0.010 . 1 . . . . . 8 ILE N . 50867 2 29 . 2 . 2 9 9 ASP H H 1 8.312 0.010 . 1 . . . . . 9 ASP H . 50867 2 30 . 2 . 2 9 9 ASP C C 13 176.590 0.050 . 1 . . . . . 9 ASP C . 50867 2 31 . 2 . 2 9 9 ASP CA C 13 53.596 0.010 . 1 . . . . . 9 ASP CA . 50867 2 32 . 2 . 2 9 9 ASP CB C 13 42.166 0.010 . 1 . . . . . 9 ASP CB . 50867 2 33 . 2 . 2 9 9 ASP N N 15 123.958 0.010 . 1 . . . . . 9 ASP N . 50867 2 34 . 2 . 2 10 10 THR H H 1 8.330 0.010 . 1 . . . . . 10 THR H . 50867 2 35 . 2 . 2 10 10 THR C C 13 175.805 0.050 . 1 . . . . . 10 THR C . 50867 2 36 . 2 . 2 10 10 THR CA C 13 61.298 0.010 . 1 . . . . . 10 THR CA . 50867 2 37 . 2 . 2 10 10 THR CB C 13 69.852 0.010 . 1 . . . . . 10 THR CB . 50867 2 38 . 2 . 2 10 10 THR N N 15 112.591 0.010 . 1 . . . . . 10 THR N . 50867 2 39 . 2 . 2 11 11 ASP H H 1 8.702 0.010 . 1 . . . . . 11 ASP H . 50867 2 40 . 2 . 2 11 11 ASP C C 13 176.487 0.050 . 1 . . . . . 11 ASP C . 50867 2 41 . 2 . 2 11 11 ASP CA C 13 56.668 0.010 . 1 . . . . . 11 ASP CA . 50867 2 42 . 2 . 2 11 11 ASP CB C 13 40.182 0.010 . 1 . . . . . 11 ASP CB . 50867 2 43 . 2 . 2 11 11 ASP N N 15 124.025 0.010 . 1 . . . . . 11 ASP N . 50867 2 44 . 2 . 2 12 12 PHE H H 1 7.938 0.010 . 1 . . . . . 12 PHE H . 50867 2 45 . 2 . 2 12 12 PHE C C 13 174.558 0.050 . 1 . . . . . 12 PHE C . 50867 2 46 . 2 . 2 12 12 PHE CA C 13 57.583 0.010 . 1 . . . . . 12 PHE CA . 50867 2 47 . 2 . 2 12 12 PHE CB C 13 38.673 0.010 . 1 . . . . . 12 PHE CB . 50867 2 48 . 2 . 2 12 12 PHE N N 15 115.966 0.010 . 1 . . . . . 12 PHE N . 50867 2 49 . 2 . 2 13 13 ILE H H 1 7.339 0.010 . 1 . . . . . 13 ILE H . 50867 2 50 . 2 . 2 13 13 ILE C C 13 174.227 0.050 . 1 . . . . . 13 ILE C . 50867 2 51 . 2 . 2 13 13 ILE CA C 13 59.600 0.010 . 1 . . . . . 13 ILE CA . 50867 2 52 . 2 . 2 13 13 ILE CB C 13 39.578 0.010 . 1 . . . . . 13 ILE CB . 50867 2 53 . 2 . 2 13 13 ILE N N 15 121.739 0.010 . 1 . . . . . 13 ILE N . 50867 2 54 . 2 . 2 14 14 ASP H H 1 8.614 0.010 . 1 . . . . . 14 ASP H . 50867 2 55 . 2 . 2 14 14 ASP C C 13 177.058 0.050 . 1 . . . . . 14 ASP C . 50867 2 56 . 2 . 2 14 14 ASP CA C 13 54.314 0.010 . 1 . . . . . 14 ASP CA . 50867 2 57 . 2 . 2 14 14 ASP CB C 13 42.555 0.010 . 1 . . . . . 14 ASP CB . 50867 2 58 . 2 . 2 14 14 ASP N N 15 127.502 0.010 . 1 . . . . . 14 ASP N . 50867 2 59 . 2 . 2 15 15 GLU H H 1 9.098 0.010 . 1 . . . . . 15 GLU H . 50867 2 60 . 2 . 2 15 15 GLU C C 13 178.291 0.050 . 1 . . . . . 15 GLU C . 50867 2 61 . 2 . 2 15 15 GLU CA C 13 60.140 0.010 . 1 . . . . . 15 GLU CA . 50867 2 62 . 2 . 2 15 15 GLU CB C 13 30.130 0.010 . 1 . . . . . 15 GLU CB . 50867 2 63 . 2 . 2 15 15 GLU N N 15 125.540 0.010 . 1 . . . . . 15 GLU N . 50867 2 64 . 2 . 2 16 16 GLU H H 1 8.769 0.010 . 1 . . . . . 16 GLU H . 50867 2 65 . 2 . 2 16 16 GLU C C 13 179.784 0.050 . 1 . . . . . 16 GLU C . 50867 2 66 . 2 . 2 16 16 GLU CA C 13 59.485 0.010 . 1 . . . . . 16 GLU CA . 50867 2 67 . 2 . 2 16 16 GLU CB C 13 29.170 0.010 . 1 . . . . . 16 GLU CB . 50867 2 68 . 2 . 2 16 16 GLU N N 15 120.014 0.010 . 1 . . . . . 16 GLU N . 50867 2 69 . 2 . 2 17 17 VAL H H 1 7.781 0.010 . 1 . . . . . 17 VAL H . 50867 2 70 . 2 . 2 17 17 VAL C C 13 179.025 0.050 . 1 . . . . . 17 VAL C . 50867 2 71 . 2 . 2 17 17 VAL CA C 13 65.949 0.010 . 1 . . . . . 17 VAL CA . 50867 2 72 . 2 . 2 17 17 VAL CB C 13 32.013 0.010 . 1 . . . . . 17 VAL CB . 50867 2 73 . 2 . 2 17 17 VAL N N 15 122.398 0.010 . 1 . . . . . 17 VAL N . 50867 2 74 . 2 . 2 18 18 LEU H H 1 7.959 0.010 . 1 . . . . . 18 LEU H . 50867 2 75 . 2 . 2 18 18 LEU C C 13 178.301 0.050 . 1 . . . . . 18 LEU C . 50867 2 76 . 2 . 2 18 18 LEU CA C 13 58.061 0.010 . 1 . . . . . 18 LEU CA . 50867 2 77 . 2 . 2 18 18 LEU CB C 13 41.794 0.010 . 1 . . . . . 18 LEU CB . 50867 2 78 . 2 . 2 18 18 LEU N N 15 119.562 0.010 . 1 . . . . . 18 LEU N . 50867 2 79 . 2 . 2 19 19 MET H H 1 8.228 0.010 . 1 . . . . . 19 MET H . 50867 2 80 . 2 . 2 19 19 MET C C 13 178.129 0.050 . 1 . . . . . 19 MET C . 50867 2 81 . 2 . 2 19 19 MET CA C 13 57.415 0.010 . 1 . . . . . 19 MET CA . 50867 2 82 . 2 . 2 19 19 MET CB C 13 31.001 0.010 . 1 . . . . . 19 MET CB . 50867 2 83 . 2 . 2 19 19 MET N N 15 117.064 0.010 . 1 . . . . . 19 MET N . 50867 2 84 . 2 . 2 20 20 SER H H 1 7.990 0.010 . 1 . . . . . 20 SER H . 50867 2 85 . 2 . 2 20 20 SER C C 13 177.121 0.050 . 1 . . . . . 20 SER C . 50867 2 86 . 2 . 2 20 20 SER CA C 13 62.133 0.010 . 1 . . . . . 20 SER CA . 50867 2 87 . 2 . 2 20 20 SER N N 15 114.977 0.010 . 1 . . . . . 20 SER N . 50867 2 88 . 2 . 2 21 21 LEU H H 1 7.887 0.010 . 1 . . . . . 21 LEU H . 50867 2 89 . 2 . 2 21 21 LEU C C 13 178.232 0.050 . 1 . . . . . 21 LEU C . 50867 2 90 . 2 . 2 21 21 LEU CA C 13 57.979 0.010 . 1 . . . . . 21 LEU CA . 50867 2 91 . 2 . 2 21 21 LEU CB C 13 42.351 0.010 . 1 . . . . . 21 LEU CB . 50867 2 92 . 2 . 2 21 21 LEU N N 15 123.896 0.010 . 1 . . . . . 21 LEU N . 50867 2 93 . 2 . 2 22 22 VAL H H 1 8.236 0.010 . 1 . . . . . 22 VAL H . 50867 2 94 . 2 . 2 22 22 VAL C C 13 177.861 0.050 . 1 . . . . . 22 VAL C . 50867 2 95 . 2 . 2 22 22 VAL CA C 13 66.917 0.010 . 1 . . . . . 22 VAL CA . 50867 2 96 . 2 . 2 22 22 VAL CB C 13 31.335 0.010 . 1 . . . . . 22 VAL CB . 50867 2 97 . 2 . 2 22 22 VAL N N 15 119.880 0.010 . 1 . . . . . 22 VAL N . 50867 2 98 . 2 . 2 23 23 ILE H H 1 7.735 0.010 . 1 . . . . . 23 ILE H . 50867 2 99 . 2 . 2 23 23 ILE C C 13 180.681 0.050 . 1 . . . . . 23 ILE C . 50867 2 100 . 2 . 2 23 23 ILE CA C 13 63.717 0.010 . 1 . . . . . 23 ILE CA . 50867 2 101 . 2 . 2 23 23 ILE CB C 13 37.642 0.010 . 1 . . . . . 23 ILE CB . 50867 2 102 . 2 . 2 23 23 ILE N N 15 118.231 0.010 . 1 . . . . . 23 ILE N . 50867 2 103 . 2 . 2 24 24 GLU H H 1 8.665 0.010 . 1 . . . . . 24 GLU H . 50867 2 104 . 2 . 2 24 24 GLU C C 13 179.063 0.050 . 1 . . . . . 24 GLU C . 50867 2 105 . 2 . 2 24 24 GLU CA C 13 59.762 0.010 . 1 . . . . . 24 GLU CA . 50867 2 106 . 2 . 2 24 24 GLU CB C 13 29.959 0.010 . 1 . . . . . 24 GLU CB . 50867 2 107 . 2 . 2 24 24 GLU N N 15 124.134 0.010 . 1 . . . . . 24 GLU N . 50867 2 108 . 2 . 2 25 25 MET H H 1 8.460 0.010 . 1 . . . . . 25 MET H . 50867 2 109 . 2 . 2 25 25 MET C C 13 176.251 0.050 . 1 . . . . . 25 MET C . 50867 2 110 . 2 . 2 25 25 MET CA C 13 56.764 0.010 . 1 . . . . . 25 MET CA . 50867 2 111 . 2 . 2 25 25 MET CB C 13 33.559 0.010 . 1 . . . . . 25 MET CB . 50867 2 112 . 2 . 2 25 25 MET N N 15 114.341 0.010 . 1 . . . . . 25 MET N . 50867 2 113 . 2 . 2 26 26 GLY H H 1 7.965 0.010 . 1 . . . . . 26 GLY H . 50867 2 114 . 2 . 2 26 26 GLY C C 13 177.158 0.050 . 1 . . . . . 26 GLY C . 50867 2 115 . 2 . 2 26 26 GLY CA C 13 46.195 0.010 . 1 . . . . . 26 GLY CA . 50867 2 116 . 2 . 2 26 26 GLY N N 15 107.552 0.010 . 1 . . . . . 26 GLY N . 50867 2 117 . 2 . 2 27 27 LEU H H 1 8.388 0.010 . 1 . . . . . 27 LEU H . 50867 2 118 . 2 . 2 27 27 LEU CA C 13 56.666 0.010 . 1 . . . . . 27 LEU CA . 50867 2 119 . 2 . 2 27 27 LEU N N 15 118.964 0.010 . 1 . . . . . 27 LEU N . 50867 2 120 . 2 . 2 28 28 ASP H H 1 9.362 0.010 . 1 . . . . . 28 ASP H . 50867 2 121 . 2 . 2 28 28 ASP C C 13 176.063 0.050 . 1 . . . . . 28 ASP C . 50867 2 122 . 2 . 2 28 28 ASP CA C 13 54.544 0.010 . 1 . . . . . 28 ASP CA . 50867 2 123 . 2 . 2 28 28 ASP CB C 13 39.065 0.010 . 1 . . . . . 28 ASP CB . 50867 2 124 . 2 . 2 28 28 ASP N N 15 114.267 0.010 . 1 . . . . . 28 ASP N . 50867 2 125 . 2 . 2 29 29 ARG H H 1 7.438 0.010 . 1 . . . . . 29 ARG H . 50867 2 126 . 2 . 2 29 29 ARG C C 13 176.080 0.050 . 1 . . . . . 29 ARG C . 50867 2 127 . 2 . 2 29 29 ARG CA C 13 55.311 0.010 . 1 . . . . . 29 ARG CA . 50867 2 128 . 2 . 2 29 29 ARG CB C 13 31.704 0.010 . 1 . . . . . 29 ARG CB . 50867 2 129 . 2 . 2 29 29 ARG N N 15 117.391 0.010 . 1 . . . . . 29 ARG N . 50867 2 130 . 2 . 2 30 30 ILE H H 1 7.199 0.010 . 1 . . . . . 30 ILE H . 50867 2 131 . 2 . 2 30 30 ILE C C 13 176.579 0.050 . 1 . . . . . 30 ILE C . 50867 2 132 . 2 . 2 30 30 ILE CA C 13 61.968 0.010 . 1 . . . . . 30 ILE CA . 50867 2 133 . 2 . 2 30 30 ILE N N 15 119.558 0.010 . 1 . . . . . 30 ILE N . 50867 2 134 . 2 . 2 31 31 LYS H H 1 7.850 0.010 . 1 . . . . . 31 LYS H . 50867 2 135 . 2 . 2 31 31 LYS C C 13 174.173 0.050 . 1 . . . . . 31 LYS C . 50867 2 136 . 2 . 2 31 31 LYS CA C 13 55.001 0.010 . 1 . . . . . 31 LYS CA . 50867 2 137 . 2 . 2 31 31 LYS CB C 13 31.661 0.010 . 1 . . . . . 31 LYS CB . 50867 2 138 . 2 . 2 31 31 LYS N N 15 118.459 0.010 . 1 . . . . . 31 LYS N . 50867 2 139 . 2 . 2 32 32 GLU C C 13 174.249 0.050 . 1 . . . . . 32 GLU C . 50867 2 140 . 2 . 2 32 32 GLU CA C 13 54.999 0.010 . 1 . . . . . 32 GLU CA . 50867 2 141 . 2 . 2 32 32 GLU CB C 13 31.730 0.010 . 1 . . . . . 32 GLU CB . 50867 2 142 . 2 . 2 33 33 LEU H H 1 8.456 0.010 . 1 . . . . . 33 LEU H . 50867 2 143 . 2 . 2 33 33 LEU C C 13 174.337 0.050 . 1 . . . . . 33 LEU C . 50867 2 144 . 2 . 2 33 33 LEU CA C 13 51.674 0.010 . 1 . . . . . 33 LEU CA . 50867 2 145 . 2 . 2 33 33 LEU CB C 13 41.936 0.010 . 1 . . . . . 33 LEU CB . 50867 2 146 . 2 . 2 33 33 LEU N N 15 126.100 0.010 . 1 . . . . . 33 LEU N . 50867 2 147 . 2 . 2 34 34 PRO C C 13 175.495 0.050 . 1 . . . . . 34 PRO C . 50867 2 148 . 2 . 2 34 34 PRO CA C 13 62.678 0.010 . 1 . . . . . 34 PRO CA . 50867 2 149 . 2 . 2 34 34 PRO CB C 13 32.088 0.010 . 1 . . . . . 34 PRO CB . 50867 2 150 . 2 . 2 35 35 GLU H H 1 8.484 0.010 . 1 . . . . . 35 GLU H . 50867 2 151 . 2 . 2 35 35 GLU C C 13 176.271 0.050 . 1 . . . . . 35 GLU C . 50867 2 152 . 2 . 2 35 35 GLU CA C 13 55.651 0.010 . 1 . . . . . 35 GLU CA . 50867 2 153 . 2 . 2 35 35 GLU CB C 13 29.716 0.010 . 1 . . . . . 35 GLU CB . 50867 2 154 . 2 . 2 35 35 GLU N N 15 121.359 0.010 . 1 . . . . . 35 GLU N . 50867 2 155 . 2 . 2 36 36 LEU H H 1 9.403 0.010 . 1 . . . . . 36 LEU H . 50867 2 156 . 2 . 2 36 36 LEU C C 13 177.281 0.050 . 1 . . . . . 36 LEU C . 50867 2 157 . 2 . 2 36 36 LEU CA C 13 53.397 0.010 . 1 . . . . . 36 LEU CA . 50867 2 158 . 2 . 2 36 36 LEU CB C 13 43.938 0.010 . 1 . . . . . 36 LEU CB . 50867 2 159 . 2 . 2 36 36 LEU N N 15 128.226 0.010 . 1 . . . . . 36 LEU N . 50867 2 160 . 2 . 2 37 37 THR H H 1 9.122 0.010 . 1 . . . . . 37 THR H . 50867 2 161 . 2 . 2 37 37 THR C C 13 176.678 0.050 . 1 . . . . . 37 THR C . 50867 2 162 . 2 . 2 37 37 THR CA C 13 59.942 0.010 . 1 . . . . . 37 THR CA . 50867 2 163 . 2 . 2 37 37 THR CB C 13 71.879 0.010 . 1 . . . . . 37 THR CB . 50867 2 164 . 2 . 2 37 37 THR N N 15 111.619 0.010 . 1 . . . . . 37 THR N . 50867 2 165 . 2 . 2 38 38 SER H H 1 9.133 0.010 . 1 . . . . . 38 SER H . 50867 2 166 . 2 . 2 38 38 SER C C 13 176.671 0.050 . 1 . . . . . 38 SER C . 50867 2 167 . 2 . 2 38 38 SER CA C 13 62.704 0.010 . 1 . . . . . 38 SER CA . 50867 2 168 . 2 . 2 38 38 SER N N 15 116.545 0.010 . 1 . . . . . 38 SER N . 50867 2 169 . 2 . 2 39 39 TYR H H 1 8.151 0.010 . 1 . . . . . 39 TYR H . 50867 2 170 . 2 . 2 39 39 TYR C C 13 176.803 0.050 . 1 . . . . . 39 TYR C . 50867 2 171 . 2 . 2 39 39 TYR CA C 13 61.451 0.010 . 1 . . . . . 39 TYR CA . 50867 2 172 . 2 . 2 39 39 TYR CB C 13 38.221 0.010 . 1 . . . . . 39 TYR CB . 50867 2 173 . 2 . 2 39 39 TYR N N 15 121.345 0.010 . 1 . . . . . 39 TYR N . 50867 2 174 . 2 . 2 40 40 ASP H H 1 7.985 0.010 . 1 . . . . . 40 ASP H . 50867 2 175 . 2 . 2 40 40 ASP C C 13 180.292 0.050 . 1 . . . . . 40 ASP C . 50867 2 176 . 2 . 2 40 40 ASP CA C 13 57.609 0.010 . 1 . . . . . 40 ASP CA . 50867 2 177 . 2 . 2 40 40 ASP CB C 13 41.543 0.010 . 1 . . . . . 40 ASP CB . 50867 2 178 . 2 . 2 40 40 ASP N N 15 117.771 0.010 . 1 . . . . . 40 ASP N . 50867 2 179 . 2 . 2 41 41 CYS H H 1 7.580 0.010 . 1 . . . . . 41 CYS H . 50867 2 180 . 2 . 2 41 41 CYS C C 13 175.007 0.050 . 1 . . . . . 41 CYS C . 50867 2 181 . 2 . 2 41 41 CYS CA C 13 63.250 0.010 . 1 . . . . . 41 CYS CA . 50867 2 182 . 2 . 2 41 41 CYS CB C 13 27.167 0.010 . 1 . . . . . 41 CYS CB . 50867 2 183 . 2 . 2 41 41 CYS N N 15 117.998 0.010 . 1 . . . . . 41 CYS N . 50867 2 184 . 2 . 2 42 42 GLU H H 1 8.492 0.010 . 1 . . . . . 42 GLU H . 50867 2 185 . 2 . 2 42 42 GLU C C 13 178.558 0.050 . 1 . . . . . 42 GLU C . 50867 2 186 . 2 . 2 42 42 GLU CA C 13 59.313 0.010 . 1 . . . . . 42 GLU CA . 50867 2 187 . 2 . 2 42 42 GLU CB C 13 29.620 0.010 . 1 . . . . . 42 GLU CB . 50867 2 188 . 2 . 2 42 42 GLU N N 15 122.165 0.010 . 1 . . . . . 42 GLU N . 50867 2 189 . 2 . 2 43 43 VAL H H 1 7.636 0.010 . 1 . . . . . 43 VAL H . 50867 2 190 . 2 . 2 43 43 VAL C C 13 177.230 0.050 . 1 . . . . . 43 VAL C . 50867 2 191 . 2 . 2 43 43 VAL CA C 13 64.858 0.010 . 1 . . . . . 43 VAL CA . 50867 2 192 . 2 . 2 43 43 VAL CB C 13 32.386 0.010 . 1 . . . . . 43 VAL CB . 50867 2 193 . 2 . 2 43 43 VAL N N 15 113.937 0.010 . 1 . . . . . 43 VAL N . 50867 2 194 . 2 . 2 44 44 ASN H H 1 7.109 0.010 . 1 . . . . . 44 ASN H . 50867 2 195 . 2 . 2 44 44 ASN C C 13 173.596 0.050 . 1 . . . . . 44 ASN C . 50867 2 196 . 2 . 2 44 44 ASN CA C 13 55.429 0.010 . 1 . . . . . 44 ASN CA . 50867 2 197 . 2 . 2 44 44 ASN CB C 13 41.430 0.010 . 1 . . . . . 44 ASN CB . 50867 2 198 . 2 . 2 44 44 ASN N N 15 113.227 0.010 . 1 . . . . . 44 ASN N . 50867 2 199 . 2 . 2 45 45 ALA H H 1 8.166 0.010 . 1 . . . . . 45 ALA H . 50867 2 200 . 2 . 2 45 45 ALA C C 13 171.838 0.050 . 1 . . . . . 45 ALA C . 50867 2 201 . 2 . 2 45 45 ALA CA C 13 49.893 0.010 . 1 . . . . . 45 ALA CA . 50867 2 202 . 2 . 2 45 45 ALA CB C 13 17.803 0.010 . 1 . . . . . 45 ALA CB . 50867 2 203 . 2 . 2 45 45 ALA N N 15 123.112 0.010 . 1 . . . . . 45 ALA N . 50867 2 204 . 2 . 2 46 46 PRO C C 13 178.843 0.050 . 1 . . . . . 46 PRO C . 50867 2 205 . 2 . 2 46 46 PRO CA C 13 63.255 0.010 . 1 . . . . . 46 PRO CA . 50867 2 206 . 2 . 2 46 46 PRO CB C 13 32.103 0.010 . 1 . . . . . 46 PRO CB . 50867 2 207 . 2 . 2 47 47 ILE H H 1 9.046 0.010 . 1 . . . . . 47 ILE H . 50867 2 208 . 2 . 2 47 47 ILE C C 13 176.293 0.050 . 1 . . . . . 47 ILE C . 50867 2 209 . 2 . 2 47 47 ILE CA C 13 61.925 0.010 . 1 . . . . . 47 ILE CA . 50867 2 210 . 2 . 2 47 47 ILE CB C 13 38.751 0.010 . 1 . . . . . 47 ILE CB . 50867 2 211 . 2 . 2 47 47 ILE N N 15 124.674 0.010 . 1 . . . . . 47 ILE N . 50867 2 212 . 2 . 2 48 48 GLN H H 1 8.535 0.010 . 1 . . . . . 48 GLN H . 50867 2 213 . 2 . 2 48 48 GLN C C 13 175.895 0.050 . 1 . . . . . 48 GLN C . 50867 2 214 . 2 . 2 48 48 GLN CA C 13 56.429 0.010 . 1 . . . . . 48 GLN CA . 50867 2 215 . 2 . 2 48 48 GLN CB C 13 29.773 0.010 . 1 . . . . . 48 GLN CB . 50867 2 216 . 2 . 2 48 48 GLN N N 15 127.975 0.010 . 1 . . . . . 48 GLN N . 50867 2 217 . 2 . 2 49 49 GLY H H 1 8.526 0.010 . 1 . . . . . 49 GLY H . 50867 2 218 . 2 . 2 49 49 GLY C C 13 174.161 0.050 . 1 . . . . . 49 GLY C . 50867 2 219 . 2 . 2 49 49 GLY CA C 13 45.272 0.010 . 1 . . . . . 49 GLY CA . 50867 2 220 . 2 . 2 49 49 GLY N N 15 111.096 0.010 . 1 . . . . . 49 GLY N . 50867 2 221 . 2 . 2 50 50 SER H H 1 8.216 0.010 . 1 . . . . . 50 SER H . 50867 2 222 . 2 . 2 50 50 SER C C 13 174.761 0.050 . 1 . . . . . 50 SER C . 50867 2 223 . 2 . 2 50 50 SER CA C 13 58.430 0.010 . 1 . . . . . 50 SER CA . 50867 2 224 . 2 . 2 50 50 SER CB C 13 63.940 0.010 . 1 . . . . . 50 SER CB . 50867 2 225 . 2 . 2 50 50 SER N N 15 115.449 0.010 . 1 . . . . . 50 SER N . 50867 2 226 . 2 . 2 51 51 ARG H H 1 8.433 0.010 . 1 . . . . . 51 ARG H . 50867 2 227 . 2 . 2 51 51 ARG C C 13 175.892 0.050 . 1 . . . . . 51 ARG C . 50867 2 228 . 2 . 2 51 51 ARG CA C 13 56.314 0.010 . 1 . . . . . 51 ARG CA . 50867 2 229 . 2 . 2 51 51 ARG CB C 13 30.628 0.010 . 1 . . . . . 51 ARG CB . 50867 2 230 . 2 . 2 51 51 ARG N N 15 122.513 0.010 . 1 . . . . . 51 ARG N . 50867 2 231 . 2 . 2 52 52 ASN H H 1 8.430 0.010 . 1 . . . . . 52 ASN H . 50867 2 232 . 2 . 2 52 52 ASN C C 13 175.044 0.050 . 1 . . . . . 52 ASN C . 50867 2 233 . 2 . 2 52 52 ASN CA C 13 53.324 0.010 . 1 . . . . . 52 ASN CA . 50867 2 234 . 2 . 2 52 52 ASN CB C 13 38.799 0.010 . 1 . . . . . 52 ASN CB . 50867 2 235 . 2 . 2 52 52 ASN N N 15 119.512 0.010 . 1 . . . . . 52 ASN N . 50867 2 236 . 2 . 2 53 53 LEU H H 1 8.223 0.010 . 1 . . . . . 53 LEU H . 50867 2 237 . 2 . 2 53 53 LEU C C 13 177.320 0.050 . 1 . . . . . 53 LEU C . 50867 2 238 . 2 . 2 53 53 LEU CA C 13 55.402 0.010 . 1 . . . . . 53 LEU CA . 50867 2 239 . 2 . 2 53 53 LEU CB C 13 42.274 0.010 . 1 . . . . . 53 LEU CB . 50867 2 240 . 2 . 2 53 53 LEU N N 15 122.536 0.010 . 1 . . . . . 53 LEU N . 50867 2 241 . 2 . 2 54 54 LEU H H 1 8.235 0.010 . 1 . . . . . 54 LEU H . 50867 2 242 . 2 . 2 54 54 LEU C C 13 177.135 0.050 . 1 . . . . . 54 LEU C . 50867 2 243 . 2 . 2 54 54 LEU CA C 13 55.110 0.010 . 1 . . . . . 54 LEU CA . 50867 2 244 . 2 . 2 54 54 LEU CB C 13 42.159 0.010 . 1 . . . . . 54 LEU CB . 50867 2 245 . 2 . 2 54 54 LEU N N 15 122.329 0.010 . 1 . . . . . 54 LEU N . 50867 2 246 . 2 . 2 55 55 GLN H H 1 8.335 0.010 . 1 . . . . . 55 GLN H . 50867 2 247 . 2 . 2 55 55 GLN C C 13 176.429 0.050 . 1 . . . . . 55 GLN C . 50867 2 248 . 2 . 2 55 55 GLN CA C 13 55.945 0.010 . 1 . . . . . 55 GLN CA . 50867 2 249 . 2 . 2 55 55 GLN CB C 13 29.896 0.010 . 1 . . . . . 55 GLN CB . 50867 2 250 . 2 . 2 55 55 GLN N N 15 120.291 0.010 . 1 . . . . . 55 GLN N . 50867 2 251 . 2 . 2 56 56 GLY H H 1 8.536 0.010 . 1 . . . . . 56 GLY H . 50867 2 252 . 2 . 2 56 56 GLY C C 13 174.698 0.050 . 1 . . . . . 56 GLY C . 50867 2 253 . 2 . 2 56 56 GLY CA C 13 45.725 0.010 . 1 . . . . . 56 GLY CA . 50867 2 254 . 2 . 2 56 56 GLY N N 15 110.264 0.010 . 1 . . . . . 56 GLY N . 50867 2 255 . 2 . 2 57 57 GLU H H 1 8.430 0.010 . 1 . . . . . 57 GLU H . 50867 2 256 . 2 . 2 57 57 GLU C C 13 177.028 0.050 . 1 . . . . . 57 GLU C . 50867 2 257 . 2 . 2 57 57 GLU CA C 13 57.316 0.010 . 1 . . . . . 57 GLU CA . 50867 2 258 . 2 . 2 57 57 GLU CB C 13 30.266 0.010 . 1 . . . . . 57 GLU CB . 50867 2 259 . 2 . 2 57 57 GLU N N 15 121.305 0.010 . 1 . . . . . 57 GLU N . 50867 2 260 . 2 . 2 58 58 GLU H H 1 8.568 0.010 . 1 . . . . . 58 GLU H . 50867 2 261 . 2 . 2 58 58 GLU C C 13 176.964 0.050 . 1 . . . . . 58 GLU C . 50867 2 262 . 2 . 2 58 58 GLU CA C 13 57.425 0.010 . 1 . . . . . 58 GLU CA . 50867 2 263 . 2 . 2 58 58 GLU CB C 13 29.952 0.010 . 1 . . . . . 58 GLU CB . 50867 2 264 . 2 . 2 58 58 GLU N N 15 120.964 0.010 . 1 . . . . . 58 GLU N . 50867 2 265 . 2 . 2 59 59 LEU H H 1 8.012 0.010 . 1 . . . . . 59 LEU H . 50867 2 266 . 2 . 2 59 59 LEU C C 13 177.447 0.050 . 1 . . . . . 59 LEU C . 50867 2 267 . 2 . 2 59 59 LEU CA C 13 55.705 0.010 . 1 . . . . . 59 LEU CA . 50867 2 268 . 2 . 2 59 59 LEU CB C 13 42.170 0.010 . 1 . . . . . 59 LEU CB . 50867 2 269 . 2 . 2 59 59 LEU N N 15 121.917 0.010 . 1 . . . . . 59 LEU N . 50867 2 270 . 2 . 2 60 60 LEU H H 1 7.958 0.010 . 1 . . . . . 60 LEU H . 50867 2 271 . 2 . 2 60 60 LEU C C 13 177.389 0.050 . 1 . . . . . 60 LEU C . 50867 2 272 . 2 . 2 60 60 LEU CA C 13 55.552 0.010 . 1 . . . . . 60 LEU CA . 50867 2 273 . 2 . 2 60 60 LEU CB C 13 42.060 0.010 . 1 . . . . . 60 LEU CB . 50867 2 274 . 2 . 2 60 60 LEU N N 15 121.614 0.010 . 1 . . . . . 60 LEU N . 50867 2 275 . 2 . 2 61 61 ARG H H 1 8.115 0.010 . 1 . . . . . 61 ARG H . 50867 2 276 . 2 . 2 61 61 ARG C C 13 176.270 0.050 . 1 . . . . . 61 ARG C . 50867 2 277 . 2 . 2 61 61 ARG CA C 13 56.104 0.010 . 1 . . . . . 61 ARG CA . 50867 2 278 . 2 . 2 61 61 ARG CB C 13 30.890 0.010 . 1 . . . . . 61 ARG CB . 50867 2 279 . 2 . 2 61 61 ARG N N 15 121.210 0.010 . 1 . . . . . 61 ARG N . 50867 2 280 . 2 . 2 62 62 ALA H H 1 8.246 0.010 . 1 . . . . . 62 ALA H . 50867 2 281 . 2 . 2 62 62 ALA C C 13 177.895 0.050 . 1 . . . . . 62 ALA C . 50867 2 282 . 2 . 2 62 62 ALA CA C 13 52.771 0.010 . 1 . . . . . 62 ALA CA . 50867 2 283 . 2 . 2 62 62 ALA CB C 13 19.236 0.010 . 1 . . . . . 62 ALA CB . 50867 2 284 . 2 . 2 62 62 ALA N N 15 125.331 0.010 . 1 . . . . . 62 ALA N . 50867 2 285 . 2 . 2 63 63 ALA H H 1 8.251 0.010 . 1 . . . . . 63 ALA H . 50867 2 286 . 2 . 2 63 63 ALA C C 13 177.635 0.050 . 1 . . . . . 63 ALA C . 50867 2 287 . 2 . 2 63 63 ALA CA C 13 52.912 0.010 . 1 . . . . . 63 ALA CA . 50867 2 288 . 2 . 2 63 63 ALA CB C 13 19.082 0.010 . 1 . . . . . 63 ALA CB . 50867 2 289 . 2 . 2 63 63 ALA N N 15 122.523 0.010 . 1 . . . . . 63 ALA N . 50867 2 290 . 2 . 2 64 64 ASP H H 1 8.158 0.010 . 1 . . . . . 64 ASP H . 50867 2 291 . 2 . 2 64 64 ASP C C 13 176.122 0.050 . 1 . . . . . 64 ASP C . 50867 2 292 . 2 . 2 64 64 ASP CA C 13 54.435 0.010 . 1 . . . . . 64 ASP CA . 50867 2 293 . 2 . 2 64 64 ASP CB C 13 41.049 0.010 . 1 . . . . . 64 ASP CB . 50867 2 294 . 2 . 2 64 64 ASP N N 15 118.128 0.010 . 1 . . . . . 64 ASP N . 50867 2 295 . 2 . 2 65 65 GLN H H 1 8.074 0.010 . 1 . . . . . 65 GLN H . 50867 2 296 . 2 . 2 65 65 GLN C C 13 175.641 0.050 . 1 . . . . . 65 GLN C . 50867 2 297 . 2 . 2 65 65 GLN CA C 13 55.708 0.010 . 1 . . . . . 65 GLN CA . 50867 2 298 . 2 . 2 65 65 GLN CB C 13 29.581 0.010 . 1 . . . . . 65 GLN CB . 50867 2 299 . 2 . 2 65 65 GLN N N 15 119.936 0.010 . 1 . . . . . 65 GLN N . 50867 2 300 . 2 . 2 66 66 VAL H H 1 8.160 0.010 . 1 . . . . . 66 VAL H . 50867 2 301 . 2 . 2 66 66 VAL C C 13 175.105 0.050 . 1 . . . . . 66 VAL C . 50867 2 302 . 2 . 2 66 66 VAL CA C 13 62.370 0.010 . 1 . . . . . 66 VAL CA . 50867 2 303 . 2 . 2 66 66 VAL CB C 13 32.822 0.010 . 1 . . . . . 66 VAL CB . 50867 2 304 . 2 . 2 66 66 VAL N N 15 121.354 0.010 . 1 . . . . . 66 VAL N . 50867 2 305 . 2 . 2 67 67 ASN H H 1 8.068 0.010 . 1 . . . . . 67 ASN H . 50867 2 306 . 2 . 2 67 67 ASN C C 13 179.414 0.050 . 1 . . . . . 67 ASN C . 50867 2 307 . 2 . 2 67 67 ASN CA C 13 54.839 0.010 . 1 . . . . . 67 ASN CA . 50867 2 308 . 2 . 2 67 67 ASN CB C 13 40.582 0.010 . 1 . . . . . 67 ASN CB . 50867 2 309 . 2 . 2 67 67 ASN N N 15 127.466 0.010 . 1 . . . . . 67 ASN N . 50867 2 stop_ save_