data_6408 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6408 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Two C-terminal C2H2 Zinc Fingers (F5-6) of MTF-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-12-03 _Entry.Accession_date 2004-12-06 _Entry.Last_release_date 2005-11-14 _Entry.Original_release_date 2005-11-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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.Entry_ID 1 John Laity . H. . 6408 2 Nathan Knudsen . A. . 6408 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6408 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 49 6408 '13C chemical shifts' 160 6408 '15N chemical shifts' 49 6408 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-11-14 2004-12-03 original author . 6408 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6275 'MTF-1 in the free state' 6408 BMRB 6276 'MTF-1 in the DNA bound state (17 bp)' 6408 BMRB 6409 'Four Zinc MTF-1' 6408 BMRB 6445 'MTF-1 in the DNA bound state (22 bp)' 6408 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6408 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16055450 _Citation.Full_citation . _Citation.Title ; The six zinc fingers of metal-responsive element binding transcription factor-1 form stable and quasi-ordered structures with relatively small differences in zinc affinities. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 280 _Citation.Journal_issue 31 _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 28529 _Citation.Page_last 28540 _Citation.Year 2005 _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.Entry_ID _Citation_author.Citation_ID 1 Belinda Potter . M. . 6408 1 2 Linda Feng . S. . 6408 1 3 Priya Parasuram . . . 6408 1 4 Viktor Matskevich . A. . 6408 1 5 Jed Wilson . A. . 6408 1 6 Glen Andrews . K. . 6408 1 7 John Laity . H. . 6408 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Zinc fingers' 6408 1 Metal-sensing 6408 1 'Transcription factor' 6408 1 'Zinc affinities' 6408 1 'Zinc homeostasis' 6408 1 stop_ save_ save_reference_1 _Citation.Sf_category citations _Citation.Sf_framecode reference_1 _Citation.Entry_ID 6408 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8467794 _Citation.Full_citation ; Radtke, F., Heuchel, R., Georgiev, O., Hergersberg, M., Gariglio, M., Dembic, Z., and Schaffner, W. (1993). Cloned transcription factor MTF-1 activates the mouse metallothionein I promoter. EMBO J., 12, 1355-1362. ; _Citation.Title 'Cloned transcription factor MTF-1 activates the mouse metallothionein I promoter.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full 'The EMBO journal' _Citation.Journal_volume 12 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0261-4189 _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 1355 _Citation.Page_last 1362 _Citation.Year 1993 _Citation.Details ; Metallothioneins (MTs) are small cysteine-rich proteins whose structure is conserved from fungi to man. MTs strongly bind heavy metals, notably zinc, copper and cadmium. Upon exposure of cells to heavy metal and other adverse treatments, MT gene transcription is strongly enhanced. Metal induction is mediated by several copies of a 15 bp consensus sequence (metal-responsive element, MRE) present in the promoter region of MT genes. We and others have demonstrated the presence of an MRE-binding factor in HeLa cell nuclear extracts. We found that this factor, termed MTF-1 (MRE-binding transcription factor) is inactivated/reactivated in vitro by zinc withdrawal/addition. Here we report that the amounts of MTF-1-DNA complexes are elevated several-fold in zinc-treated cells, as measured by bandshift assay. We have also cloned the cDNA of mouse MTF-1, a 72.5 kDa protein. MTF-1 contains six zinc fingers and separate transcriptional activation domains with high contents of acidic and proline residues. Ectopic expression of MTF-1 in primate or rodent cells strongly enhances transcription of a reporter gene that is driven by four consensus MREd sites, or by the complete mouse MT-I promoter, even at normal zinc levels. ; 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.Entry_ID _Citation_author.Citation_ID 1 F. Radtke F. . . 6408 2 2 R. Heuchel R. . . 6408 2 3 O. Georgiev O. . . 6408 2 4 M. Hergersberg M. . . 6408 2 5 M. Gariglio M. . . 6408 2 6 Z. Dembic Z. . . 6408 2 7 W. Schaffner W. . . 6408 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_MTF-1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_MTF-1 _Assembly.Entry_ID 6408 _Assembly.ID 1 _Assembly.Name 'Metal-responsive element-binding transcription factor-1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all other bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6408 1 stop_ 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 'MTF-1 subunit 1' 1 $MTF-1 . . . native . . . . . 6408 1 2 'Zn (II) A' 2 $ZN . . . native . . . . . 6408 1 3 'Zn (II) B' 2 $ZN . . . native . . . . . 6408 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_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_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 CYS 4 4 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6408 1 2 coordination single . 1 . 1 CYS 9 9 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6408 1 3 coordination single . 1 . 1 HIS 22 22 NE2 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6408 1 4 coordination single . 1 . 1 HIS 26 26 NE2 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6408 1 5 coordination single . 1 . 1 CYS 34 34 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 6408 1 6 coordination single . 1 . 1 CYS 39 39 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 6408 1 7 coordination single . 1 . 1 HIS 52 52 NE2 . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 6408 1 8 coordination single . 1 . 1 HIS 56 56 NE2 . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 6408 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Metal-responsive element-binding transcription factor-1' system 6408 1 MTF-1 abbreviation 6408 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'transcription factor' 6408 1 'metalloregulatory protein' 6408 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MTF-1 _Entity.Sf_category entity _Entity.Sf_framecode MTF-1 _Entity.Entry_ID 6408 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'metal-responsive element-binding transcription factor-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 ; PFRCDHDGCGKAFAASHHLK THVRTHTGERPFFCPSNGCE KTFSTQYSLKSHMKGHDNKG T ; _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 . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 61 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 6317.1 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-01-16 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . . SWISS-PROT Q07243 . 'MTF1_MOUSE Metal regulatory transcriptionfactor 1 (Transcription factor MTF-1) (MRE-bindingtranscription factor)' . . . . . 9.04 675 100 100 10e-33 . . . . 6408 1 . . SWISS-PROT Q14872 . 'MTF1_HUMAN Metal regulatory transcriptionfactor 1 (Transcription factor MTF-1) (MRE-bindingtranscription factor)' . . . . . 8.10 753 100 100 5e-32 . . . . 6408 1 . . REF XP_001503611.1 . 'PREDICTED: similar toMetal-regulatory transcription factor 1 [Equus caballus]' . . . . . 8.10 753 100 100 5e-32 . . . . 6408 1 . . REF XP_513329.2 . 'PREDICTED: metal-regulatorytranscription factor 1 [Pan troglodytes]' . . . . . 8.10 753 100 100 5e-32 . . . . 6408 1 . . REF NP_032662.2 . 'metal response element bindingtranscription factor 1 [Mus musculus]' . . . . . 9.04 675 98 98 4e-32 . . . . 6408 1 . . REF NP_001030252.2 . 'metal-regulatory transcriptionfactor 1 [Bos taurus]' . . . . . 8.12 751 100 100 5e-32 . . . . 6408 1 . . GenBank EDL80405.1 . 'metal response element bindingtranscription factor 1 (predicted) [Rattus norvegicus]' . . . . . 9.04 675 100 100 10e-33 . . . . 6408 1 . . REF NP_001102147.1 . 'metal response element bindingtranscription factor 1 [Rattus norvegicus]' . . . . . 9.04 675 100 100 10e-33 . . . . 6408 1 . . GenBank EDL30349.1 . 'metal response element bindingtranscription factor 1, isoform CRA_a [Mus musculus]' . . . . . 9.05 674 100 100 10e-33 . . . . 6408 1 . . GenBank AAH17679.1 . 'Metal response element bindingtranscription factor 1 [Mus musculus]' . . . . . 9.04 675 100 100 10e-33 . . . . 6408 1 . . GenBank AAP31813.1 . 'metal response element-bindingtranscription factor 1 [Mus musculus]' . . . . . 15.44 395 100 100 10e-33 . . . . 6408 1 . . GenBank AAP31812.1 . 'metal response element-bindingtranscription factor 1 [Mus musculus]' . . . . . 9.05 674 100 100 10e-33 . . . . 6408 1 . . EMBL CAA55363.1 . 'metal-regulatory transcription factor[Homo sapiens]' . . . . . 8.10 753 100 100 5e-32 . . . . 6408 1 . . EMBL CAH70087.1 . 'metal-regulatory transcription factor 1[Homo sapiens]' . . . . . 8.10 753 100 100 5e-32 . . . . 6408 1 . . EMBL CAA50470.1 . 'transcription factor [Mus musculus]' . . . . . 9.04 675 100 100 10e-33 . . . . 6408 1 . . EMBL CAB71344.1 . 'heavy metal-responsiv etranscriptionfactor [Mus musculus]' . . . . . 9.04 675 100 100 10e-33 . . . . 6408 1 . . DBJ BAE00336.1 . 'unnamed protein product [Macacafascicularis]' . . . . . 15.68 389 100 100 5e-32 . . . . 6408 1 . . DBJ BAC26879.1 . 'unnamed protein product [Mus musculus]' . . . . . 9.04 675 98 98 4e-32 . . . . 6408 1 . . BMRB 6445 . 'metal-response element-binding transcription factor-1' . . . . . 34.46 177 100 100 2e-29 . . . . 6408 1 . . DBJ BAA22262.1 . 'zinc regulatory factor [Homo sapiens]' . . . . . 30.50 200 100 100 5e-32 . . . . 6408 1 . . BMRB 6275 . 'metal-response element-binding transcription factor-1' . . . . . 34.46 177 100 100 2e-29 . . . . 6408 1 . . BMRB 6276 . 'metal-response element-binding transcription factor-1' . . . . . 34.46 177 100 100 2e-29 . . . . 6408 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'metal-responsive element-binding transcription factor-1' common 6408 1 MTF-1 abbreviation 6408 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . PRO . 6408 1 2 . PHE . 6408 1 3 . ARG . 6408 1 4 . CYS . 6408 1 5 . ASP . 6408 1 6 . HIS . 6408 1 7 . ASP . 6408 1 8 . GLY . 6408 1 9 . CYS . 6408 1 10 . GLY . 6408 1 11 . LYS . 6408 1 12 . ALA . 6408 1 13 . PHE . 6408 1 14 . ALA . 6408 1 15 . ALA . 6408 1 16 . SER . 6408 1 17 . HIS . 6408 1 18 . HIS . 6408 1 19 . LEU . 6408 1 20 . LYS . 6408 1 21 . THR . 6408 1 22 . HIS . 6408 1 23 . VAL . 6408 1 24 . ARG . 6408 1 25 . THR . 6408 1 26 . HIS . 6408 1 27 . THR . 6408 1 28 . GLY . 6408 1 29 . GLU . 6408 1 30 . ARG . 6408 1 31 . PRO . 6408 1 32 . PHE . 6408 1 33 . PHE . 6408 1 34 . CYS . 6408 1 35 . PRO . 6408 1 36 . SER . 6408 1 37 . ASN . 6408 1 38 . GLY . 6408 1 39 . CYS . 6408 1 40 . GLU . 6408 1 41 . LYS . 6408 1 42 . THR . 6408 1 43 . PHE . 6408 1 44 . SER . 6408 1 45 . THR . 6408 1 46 . GLN . 6408 1 47 . TYR . 6408 1 48 . SER . 6408 1 49 . LEU . 6408 1 50 . LYS . 6408 1 51 . SER . 6408 1 52 . HIS . 6408 1 53 . MET . 6408 1 54 . LYS . 6408 1 55 . GLY . 6408 1 56 . HIS . 6408 1 57 . ASP . 6408 1 58 . ASN . 6408 1 59 . LYS . 6408 1 60 . GLY . 6408 1 61 . THR . 6408 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 . PRO 1 1 6408 1 . PHE 2 2 6408 1 . ARG 3 3 6408 1 . CYS 4 4 6408 1 . ASP 5 5 6408 1 . HIS 6 6 6408 1 . ASP 7 7 6408 1 . GLY 8 8 6408 1 . CYS 9 9 6408 1 . GLY 10 10 6408 1 . LYS 11 11 6408 1 . ALA 12 12 6408 1 . PHE 13 13 6408 1 . ALA 14 14 6408 1 . ALA 15 15 6408 1 . SER 16 16 6408 1 . HIS 17 17 6408 1 . HIS 18 18 6408 1 . LEU 19 19 6408 1 . LYS 20 20 6408 1 . THR 21 21 6408 1 . HIS 22 22 6408 1 . VAL 23 23 6408 1 . ARG 24 24 6408 1 . THR 25 25 6408 1 . HIS 26 26 6408 1 . THR 27 27 6408 1 . GLY 28 28 6408 1 . GLU 29 29 6408 1 . ARG 30 30 6408 1 . PRO 31 31 6408 1 . PHE 32 32 6408 1 . PHE 33 33 6408 1 . CYS 34 34 6408 1 . PRO 35 35 6408 1 . SER 36 36 6408 1 . ASN 37 37 6408 1 . GLY 38 38 6408 1 . CYS 39 39 6408 1 . GLU 40 40 6408 1 . LYS 41 41 6408 1 . THR 42 42 6408 1 . PHE 43 43 6408 1 . SER 44 44 6408 1 . THR 45 45 6408 1 . GLN 46 46 6408 1 . TYR 47 47 6408 1 . SER 48 48 6408 1 . LEU 49 49 6408 1 . LYS 50 50 6408 1 . SER 51 51 6408 1 . HIS 52 52 6408 1 . MET 53 53 6408 1 . LYS 54 54 6408 1 . GLY 55 55 6408 1 . HIS 56 56 6408 1 . ASP 57 57 6408 1 . ASN 58 58 6408 1 . LYS 59 59 6408 1 . GLY 60 60 6408 1 . THR 61 61 6408 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 6408 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 . ZN . 6408 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6408 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $MTF-1 . 10090 organism . 'Mus musculus' mouse . . Eukaryota Metazoa Mus musculus . . . ubiquitous ubiquitous . . . . . . . 'cytoplasm and nucleus' . 'I.M.A.G.E. Consortium Clone ID 1260636' . MTF-1 . . . . 6408 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 6408 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $MTF-1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6408 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 6408 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _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 . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 10:53:48 2011 ; _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 [Zn+2] SMILES ACDLabs 10.04 6408 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 6408 ZN [Zn++] SMILES CACTVS 3.341 6408 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6408 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 6408 ZN InChI=1S/Zn/q+2 InChI InChI 1.03 6408 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 6408 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 6408 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6408 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 . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 6408 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_all_samples _Sample.Sf_category sample _Sample.Sf_framecode all_samples _Sample.Entry_ID 6408 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; All spectra were recorded with 95% H2O/5% D2O. B-mercaptoethanol was added to all samples due to hypersensitivity of cysteine thiols to oxidation ; _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'metal-responsive element-binding transcription factor-1' '[U-98% 13C; U-98% 15N]' . . 1 $MTF-1 . . . 0.3 0.35 mM . . . . 6408 1 2 B-mercaptoethanol . . . . . . . 5 . . mM . . . . 6408 1 3 MES . . . . . . . 20 . . mM . . . . 6408 1 4 H2O . . . . . . . 95 . . % . . . . 6408 1 5 D2O . . . . . . . 5 . . % . . . . 6408 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 6408 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; Protein was produced in a reduced lyopholized form (free thiols). Protein was subsequently resuspended in degassed buffer under anaerobic conditions. ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.9 0.05 pH 6408 1 temperature 293 0.1 K 6408 1 'ionic strength' 0.01 0.01 M 6408 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 6408 _Software.ID 1 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details ; Johnson, B.A. and Blevins, R.A.(1994) NMRView: A computer program for the visualization and analysis of NMR Data. J. Biomol. NMR 4, 603-614. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data analysis' 6408 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6408 _Software.ID 2 _Software.Name NMRPipe _Software.Version 97.027.12.56 _Software.Details ; Delaglio, F., Grzesiek, S., Vuister, G.W., Zhu, G., Pfeifer, J., & Bax, A. (1995). NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J. Biomol. NMR 6, 277-293. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Raw spectral data processing' 6408 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6408 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6408 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian INOVA . 600 . . . 6408 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 6408 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N HSQC' . . . . . . . . . . . 1 $all_samples . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6408 1 2 HNCACB . . . . . . . . . . . 1 $all_samples . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6408 1 3 CBCA(CO)NH . . . . . . . . . . . 1 $all_samples . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6408 1 4 (HCA)CO(CA)NH . . . . . . . . . . . 1 $all_samples . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6408 1 5 HNCO . . . . . . . . . . . 1 $all_samples . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6408 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6408 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'A Varian {1H, 13C, 15N} 5mm triple resonance probe was used for experiments' save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6408 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'A Varian {1H, 13C, 15N} 5mm triple resonance probe was used for experiments' save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6408 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'A Varian {1H, 13C, 15N} 5mm triple resonance probe was used for experiments' save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6408 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name (HCA)CO(CA)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'A Varian {1H, 13C, 15N} 5mm triple resonance probe was used for experiments' save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6408 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'A Varian {1H, 13C, 15N} 5mm triple resonance probe was used for experiments' save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6408 _Chem_shift_reference.ID 1 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6408 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6408 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6408 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_MTF-1_F5-6 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode MTF-1_F5-6 _Assigned_chem_shift_list.Entry_ID 6408 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $all_samples . 6408 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 PRO CA C 13 62.2 0.31 . 1 . . . . . . . . 6408 1 2 . 1 1 2 2 PHE H H 1 8.17 0.015 . 1 . . . . . . . . 6408 1 3 . 1 1 2 2 PHE C C 13 174.5 0.08 . 1 . . . . . . . . 6408 1 4 . 1 1 2 2 PHE CA C 13 57.9 0.31 . 1 . . . . . . . . 6408 1 5 . 1 1 2 2 PHE CB C 13 39.9 0.31 . 1 . . . . . . . . 6408 1 6 . 1 1 2 2 PHE N N 15 122.7 0.14 . 1 . . . . . . . . 6408 1 7 . 1 1 3 3 ARG H H 1 8.81 0.015 . 1 . . . . . . . . 6408 1 8 . 1 1 3 3 ARG C C 13 174.6 0.08 . 1 . . . . . . . . 6408 1 9 . 1 1 3 3 ARG CA C 13 55.4 0.31 . 1 . . . . . . . . 6408 1 10 . 1 1 3 3 ARG CB C 13 32.9 0.31 . 1 . . . . . . . . 6408 1 11 . 1 1 3 3 ARG N N 15 125.7 0.14 . 1 . . . . . . . . 6408 1 12 . 1 1 4 4 CYS H H 1 8.89 0.015 . 1 . . . . . . . . 6408 1 13 . 1 1 4 4 CYS C C 13 175.9 0.08 . 1 . . . . . . . . 6408 1 14 . 1 1 4 4 CYS CA C 13 61.0 0.31 . 1 . . . . . . . . 6408 1 15 . 1 1 4 4 CYS CB C 13 30.7 0.31 . 1 . . . . . . . . 6408 1 16 . 1 1 4 4 CYS N N 15 127.8 0.14 . 1 . . . . . . . . 6408 1 17 . 1 1 5 5 ASP H H 1 8.65 0.015 . 1 . . . . . . . . 6408 1 18 . 1 1 5 5 ASP C C 13 176.2 0.08 . 1 . . . . . . . . 6408 1 19 . 1 1 5 5 ASP CA C 13 54.0 0.31 . 1 . . . . . . . . 6408 1 20 . 1 1 5 5 ASP CB C 13 41.2 0.31 . 1 . . . . . . . . 6408 1 21 . 1 1 5 5 ASP N N 15 129.9 0.14 . 1 . . . . . . . . 6408 1 22 . 1 1 6 6 HIS H H 1 8.93 0.015 . 1 . . . . . . . . 6408 1 23 . 1 1 6 6 HIS C C 13 176.4 0.08 . 1 . . . . . . . . 6408 1 24 . 1 1 6 6 HIS CA C 13 58.4 0.31 . 1 . . . . . . . . 6408 1 25 . 1 1 6 6 HIS CB C 13 30.5 0.31 . 1 . . . . . . . . 6408 1 26 . 1 1 6 6 HIS N N 15 125.7 0.14 . 1 . . . . . . . . 6408 1 27 . 1 1 7 7 ASP H H 1 8.34 0.015 . 1 . . . . . . . . 6408 1 28 . 1 1 7 7 ASP C C 13 177.1 0.08 . 1 . . . . . . . . 6408 1 29 . 1 1 7 7 ASP CA C 13 56.5 0.31 . 1 . . . . . . . . 6408 1 30 . 1 1 7 7 ASP CB C 13 40.8 0.31 . 1 . . . . . . . . 6408 1 31 . 1 1 7 7 ASP N N 15 129.7 0.14 . 1 . . . . . . . . 6408 1 32 . 1 1 8 8 GLY H H 1 8.72 0.015 . 1 . . . . . . . . 6408 1 33 . 1 1 8 8 GLY C C 13 173.1 0.08 . 1 . . . . . . . . 6408 1 34 . 1 1 8 8 GLY CA C 13 45.7 0.31 . 1 . . . . . . . . 6408 1 35 . 1 1 8 8 GLY N N 15 113.4 0.14 . 1 . . . . . . . . 6408 1 36 . 1 1 9 9 CYS H H 1 7.85 0.015 . 1 . . . . . . . . 6408 1 37 . 1 1 9 9 CYS C C 13 175.8 0.08 . 1 . . . . . . . . 6408 1 38 . 1 1 9 9 CYS CA C 13 60.8 0.31 . 1 . . . . . . . . 6408 1 39 . 1 1 9 9 CYS CB C 13 30.0 0.31 . 1 . . . . . . . . 6408 1 40 . 1 1 9 9 CYS N N 15 124.4 0.14 . 1 . . . . . . . . 6408 1 41 . 1 1 10 10 GLY H H 1 8.34 0.015 . 1 . . . . . . . . 6408 1 42 . 1 1 10 10 GLY C C 13 174.4 0.08 . 1 . . . . . . . . 6408 1 43 . 1 1 10 10 GLY CA C 13 45.1 0.31 . 1 . . . . . . . . 6408 1 44 . 1 1 10 10 GLY N N 15 106.3 0.14 . 1 . . . . . . . . 6408 1 45 . 1 1 11 11 LYS H H 1 7.91 0.015 . 1 . . . . . . . . 6408 1 46 . 1 1 11 11 LYS C C 13 174.0 0.08 . 1 . . . . . . . . 6408 1 47 . 1 1 11 11 LYS CA C 13 57.9 0.31 . 1 . . . . . . . . 6408 1 48 . 1 1 11 11 LYS CB C 13 33.8 0.31 . 1 . . . . . . . . 6408 1 49 . 1 1 11 11 LYS N N 15 122.6 0.14 . 1 . . . . . . . . 6408 1 50 . 1 1 12 12 ALA H H 1 7.75 0.015 . 1 . . . . . . . . 6408 1 51 . 1 1 12 12 ALA C C 13 176.2 0.08 . 1 . . . . . . . . 6408 1 52 . 1 1 12 12 ALA CA C 13 50.4 0.31 . 1 . . . . . . . . 6408 1 53 . 1 1 12 12 ALA CB C 13 22.1 0.31 . 1 . . . . . . . . 6408 1 54 . 1 1 12 12 ALA N N 15 122.9 0.14 . 1 . . . . . . . . 6408 1 55 . 1 1 13 13 PHE H H 1 8.49 0.015 . 1 . . . . . . . . 6408 1 56 . 1 1 13 13 PHE C C 13 175.4 0.08 . 1 . . . . . . . . 6408 1 57 . 1 1 13 13 PHE CA C 13 57.2 0.31 . 1 . . . . . . . . 6408 1 58 . 1 1 13 13 PHE CB C 13 44.3 0.31 . 1 . . . . . . . . 6408 1 59 . 1 1 13 13 PHE N N 15 117.4 0.14 . 1 . . . . . . . . 6408 1 60 . 1 1 14 14 ALA C C 13 177.4 0.08 . 1 . . . . . . . . 6408 1 61 . 1 1 14 14 ALA CA C 13 53.9 0.31 . 1 . . . . . . . . 6408 1 62 . 1 1 14 14 ALA CB C 13 19.6 0.31 . 1 . . . . . . . . 6408 1 63 . 1 1 15 15 ALA H H 1 7.58 0.015 . 1 . . . . . . . . 6408 1 64 . 1 1 15 15 ALA C C 13 177.4 0.08 . 1 . . . . . . . . 6408 1 65 . 1 1 15 15 ALA CA C 13 50.4 0.31 . 1 . . . . . . . . 6408 1 66 . 1 1 15 15 ALA CB C 13 21.9 0.31 . 1 . . . . . . . . 6408 1 67 . 1 1 15 15 ALA N N 15 117.9 0.14 . 1 . . . . . . . . 6408 1 68 . 1 1 16 16 SER H H 1 8.43 0.015 . 1 . . . . . . . . 6408 1 69 . 1 1 16 16 SER C C 13 177.5 0.08 . 1 . . . . . . . . 6408 1 70 . 1 1 16 16 SER CA C 13 58.4 0.31 . 1 . . . . . . . . 6408 1 71 . 1 1 16 16 SER CB C 13 64.0 0.31 . 1 . . . . . . . . 6408 1 72 . 1 1 16 16 SER N N 15 119.8 0.14 . 1 . . . . . . . . 6408 1 73 . 1 1 17 17 HIS C C 13 177.5 0.08 . 1 . . . . . . . . 6408 1 74 . 1 1 17 17 HIS CA C 13 59.3 0.31 . 1 . . . . . . . . 6408 1 75 . 1 1 17 17 HIS CB C 13 29.5 0.31 . 1 . . . . . . . . 6408 1 76 . 1 1 18 18 HIS H H 1 6.16 0.015 . 1 . . . . . . . . 6408 1 77 . 1 1 18 18 HIS C C 13 178.5 0.08 . 1 . . . . . . . . 6408 1 78 . 1 1 18 18 HIS CA C 13 57.3 0.31 . 1 . . . . . . . . 6408 1 79 . 1 1 18 18 HIS CB C 13 31.8 0.31 . 1 . . . . . . . . 6408 1 80 . 1 1 18 18 HIS N N 15 119.8 0.14 . 1 . . . . . . . . 6408 1 81 . 1 1 19 19 LEU H H 1 6.86 0.015 . 1 . . . . . . . . 6408 1 82 . 1 1 19 19 LEU C C 13 177.1 0.08 . 1 . . . . . . . . 6408 1 83 . 1 1 19 19 LEU CA C 13 57.8 0.31 . 1 . . . . . . . . 6408 1 84 . 1 1 19 19 LEU CB C 13 40.7 0.31 . 1 . . . . . . . . 6408 1 85 . 1 1 19 19 LEU N N 15 121.5 0.14 . 1 . . . . . . . . 6408 1 86 . 1 1 20 20 LYS H H 1 7.88 0.015 . 1 . . . . . . . . 6408 1 87 . 1 1 20 20 LYS C C 13 179.1 0.08 . 1 . . . . . . . . 6408 1 88 . 1 1 20 20 LYS CA C 13 59.9 0.31 . 1 . . . . . . . . 6408 1 89 . 1 1 20 20 LYS CB C 13 32.2 0.31 . 1 . . . . . . . . 6408 1 90 . 1 1 20 20 LYS N N 15 119.2 0.14 . 1 . . . . . . . . 6408 1 91 . 1 1 21 21 THR H H 1 7.59 0.015 . 1 . . . . . . . . 6408 1 92 . 1 1 21 21 THR C C 13 176.2 0.08 . 1 . . . . . . . . 6408 1 93 . 1 1 21 21 THR CA C 13 66.1 0.31 . 1 . . . . . . . . 6408 1 94 . 1 1 21 21 THR CB C 13 68.7 0.31 . 1 . . . . . . . . 6408 1 95 . 1 1 21 21 THR N N 15 114.8 0.14 . 1 . . . . . . . . 6408 1 96 . 1 1 22 22 HIS H H 1 7.45 0.015 . 1 . . . . . . . . 6408 1 97 . 1 1 22 22 HIS C C 13 178.3 0.08 . 1 . . . . . . . . 6408 1 98 . 1 1 22 22 HIS CA C 13 59.5 0.31 . 1 . . . . . . . . 6408 1 99 . 1 1 22 22 HIS CB C 13 28.8 0.31 . 1 . . . . . . . . 6408 1 100 . 1 1 22 22 HIS N N 15 121.7 0.14 . 1 . . . . . . . . 6408 1 101 . 1 1 23 23 VAL H H 1 8.75 0.015 . 1 . . . . . . . . 6408 1 102 . 1 1 23 23 VAL C C 13 177.8 0.08 . 1 . . . . . . . . 6408 1 103 . 1 1 23 23 VAL CA C 13 66.7 0.31 . 1 . . . . . . . . 6408 1 104 . 1 1 23 23 VAL CB C 13 31.9 0.31 . 1 . . . . . . . . 6408 1 105 . 1 1 23 23 VAL N N 15 120.0 0.14 . 1 . . . . . . . . 6408 1 106 . 1 1 24 24 ARG H H 1 6.89 0.015 . 1 . . . . . . . . 6408 1 107 . 1 1 24 24 ARG C C 13 178.1 0.08 . 1 . . . . . . . . 6408 1 108 . 1 1 24 24 ARG CA C 13 58.3 0.31 . 1 . . . . . . . . 6408 1 109 . 1 1 24 24 ARG CB C 13 30.0 0.31 . 1 . . . . . . . . 6408 1 110 . 1 1 24 24 ARG N N 15 118.9 0.14 . 1 . . . . . . . . 6408 1 111 . 1 1 25 25 THR H H 1 7.72 0.015 . 1 . . . . . . . . 6408 1 112 . 1 1 25 25 THR C C 13 175.7 0.08 . 1 . . . . . . . . 6408 1 113 . 1 1 25 25 THR CA C 13 64.1 0.31 . 1 . . . . . . . . 6408 1 114 . 1 1 25 25 THR CB C 13 69.3 0.31 . 1 . . . . . . . . 6408 1 115 . 1 1 25 25 THR N N 15 110.7 0.14 . 1 . . . . . . . . 6408 1 116 . 1 1 26 26 HIS H H 1 7.10 0.015 . 1 . . . . . . . . 6408 1 117 . 1 1 26 26 HIS C C 13 175.5 0.08 . 1 . . . . . . . . 6408 1 118 . 1 1 26 26 HIS CA C 13 55.8 0.31 . 1 . . . . . . . . 6408 1 119 . 1 1 26 26 HIS CB C 13 28.5 0.31 . 1 . . . . . . . . 6408 1 120 . 1 1 26 26 HIS N N 15 119.3 0.14 . 1 . . . . . . . . 6408 1 121 . 1 1 27 27 THR H H 1 7.61 0.015 . 1 . . . . . . . . 6408 1 122 . 1 1 27 27 THR C C 13 175.1 0.08 . 1 . . . . . . . . 6408 1 123 . 1 1 27 27 THR CA C 13 62.3 0.31 . 1 . . . . . . . . 6408 1 124 . 1 1 27 27 THR N N 15 113.4 0.14 . 1 . . . . . . . . 6408 1 125 . 1 1 28 28 GLY H H 1 8.28 0.015 . 1 . . . . . . . . 6408 1 126 . 1 1 28 28 GLY C C 13 174.0 0.08 . 1 . . . . . . . . 6408 1 127 . 1 1 28 28 GLY CA C 13 45.5 0.31 . 1 . . . . . . . . 6408 1 128 . 1 1 28 28 GLY N N 15 111.6 0.14 . 1 . . . . . . . . 6408 1 129 . 1 1 29 29 GLU H H 1 8.06 0.015 . 1 . . . . . . . . 6408 1 130 . 1 1 29 29 GLU C C 13 176.3 0.08 . 1 . . . . . . . . 6408 1 131 . 1 1 29 29 GLU CA C 13 56.7 0.31 . 1 . . . . . . . . 6408 1 132 . 1 1 29 29 GLU CB C 13 30.7 0.31 . 1 . . . . . . . . 6408 1 133 . 1 1 29 29 GLU N N 15 121.2 0.14 . 1 . . . . . . . . 6408 1 134 . 1 1 30 30 ARG H H 1 8.34 0.015 . 1 . . . . . . . . 6408 1 135 . 1 1 30 30 ARG C C 13 174.1 0.08 . 1 . . . . . . . . 6408 1 136 . 1 1 30 30 ARG CA C 13 54.0 0.31 . 1 . . . . . . . . 6408 1 137 . 1 1 30 30 ARG CB C 13 32.9 0.31 . 1 . . . . . . . . 6408 1 138 . 1 1 30 30 ARG N N 15 123.9 0.14 . 1 . . . . . . . . 6408 1 139 . 1 1 31 31 PRO C C 13 176.0 0.08 . 1 . . . . . . . . 6408 1 140 . 1 1 31 31 PRO CA C 13 63.6 0.31 . 1 . . . . . . . . 6408 1 141 . 1 1 31 31 PRO CB C 13 32.5 0.31 . 1 . . . . . . . . 6408 1 142 . 1 1 32 32 PHE H H 1 7.93 0.015 . 1 . . . . . . . . 6408 1 143 . 1 1 32 32 PHE C C 13 174.7 0.08 . 1 . . . . . . . . 6408 1 144 . 1 1 32 32 PHE CA C 13 57.6 0.31 . 1 . . . . . . . . 6408 1 145 . 1 1 32 32 PHE CB C 13 39.6 0.31 . 1 . . . . . . . . 6408 1 146 . 1 1 32 32 PHE N N 15 118.5 0.14 . 1 . . . . . . . . 6408 1 147 . 1 1 33 33 PHE H H 1 8.30 0.015 . 1 . . . . . . . . 6408 1 148 . 1 1 33 33 PHE C C 13 173.8 0.08 . 1 . . . . . . . . 6408 1 149 . 1 1 33 33 PHE CA C 13 55.8 0.31 . 1 . . . . . . . . 6408 1 150 . 1 1 33 33 PHE CB C 13 40.5 0.31 . 1 . . . . . . . . 6408 1 151 . 1 1 33 33 PHE N N 15 123.3 0.14 . 1 . . . . . . . . 6408 1 152 . 1 1 34 34 CYS H H 1 8.38 0.015 . 1 . . . . . . . . 6408 1 153 . 1 1 34 34 CYS C C 13 175.7 0.08 . 1 . . . . . . . . 6408 1 154 . 1 1 34 34 CYS CA C 13 57.7 0.31 . 1 . . . . . . . . 6408 1 155 . 1 1 34 34 CYS CB C 13 30.9 0.31 . 1 . . . . . . . . 6408 1 156 . 1 1 34 34 CYS N N 15 126.4 0.14 . 1 . . . . . . . . 6408 1 157 . 1 1 35 35 PRO C C 13 177.1 0.08 . 1 . . . . . . . . 6408 1 158 . 1 1 35 35 PRO CA C 13 63.6 0.31 . 1 . . . . . . . . 6408 1 159 . 1 1 35 35 PRO CB C 13 32.6 0.31 . 1 . . . . . . . . 6408 1 160 . 1 1 36 36 SER H H 1 8.74 0.015 . 1 . . . . . . . . 6408 1 161 . 1 1 36 36 SER C C 13 175.7 0.08 . 1 . . . . . . . . 6408 1 162 . 1 1 36 36 SER CA C 13 60.3 0.31 . 1 . . . . . . . . 6408 1 163 . 1 1 36 36 SER CB C 13 62.9 0.31 . 1 . . . . . . . . 6408 1 164 . 1 1 36 36 SER N N 15 122.2 0.14 . 1 . . . . . . . . 6408 1 165 . 1 1 37 37 ASN H H 1 8.67 0.015 . 1 . . . . . . . . 6408 1 166 . 1 1 37 37 ASN C C 13 176.9 0.08 . 1 . . . . . . . . 6408 1 167 . 1 1 37 37 ASN CA C 13 55.7 0.31 . 1 . . . . . . . . 6408 1 168 . 1 1 37 37 ASN CB C 13 38.4 0.31 . 1 . . . . . . . . 6408 1 169 . 1 1 37 37 ASN N N 15 127.5 0.14 . 1 . . . . . . . . 6408 1 170 . 1 1 38 38 GLY H H 1 9.07 0.015 . 1 . . . . . . . . 6408 1 171 . 1 1 38 38 GLY C C 13 173.8 0.08 . 1 . . . . . . . . 6408 1 172 . 1 1 38 38 GLY CA C 13 45.7 0.31 . 1 . . . . . . . . 6408 1 173 . 1 1 38 38 GLY N N 15 115.5 0.14 . 1 . . . . . . . . 6408 1 174 . 1 1 39 39 CYS H H 1 7.88 0.015 . 1 . . . . . . . . 6408 1 175 . 1 1 39 39 CYS C C 13 176.1 0.08 . 1 . . . . . . . . 6408 1 176 . 1 1 39 39 CYS CA C 13 60.8 0.31 . 1 . . . . . . . . 6408 1 177 . 1 1 39 39 CYS CB C 13 29.4 0.31 . 1 . . . . . . . . 6408 1 178 . 1 1 39 39 CYS N N 15 123.4 0.14 . 1 . . . . . . . . 6408 1 179 . 1 1 40 40 GLU C C 13 176.2 0.08 . 1 . . . . . . . . 6408 1 180 . 1 1 40 40 GLU CA C 13 56.3 0.31 . 1 . . . . . . . . 6408 1 181 . 1 1 40 40 GLU CB C 13 29.4 0.31 . 1 . . . . . . . . 6408 1 182 . 1 1 41 41 LYS H H 1 7.99 0.015 . 1 . . . . . . . . 6408 1 183 . 1 1 41 41 LYS C C 13 175.3 0.08 . 1 . . . . . . . . 6408 1 184 . 1 1 41 41 LYS CA C 13 57.3 0.31 . 1 . . . . . . . . 6408 1 185 . 1 1 41 41 LYS CB C 13 33.6 0.31 . 1 . . . . . . . . 6408 1 186 . 1 1 41 41 LYS N N 15 122.0 0.14 . 1 . . . . . . . . 6408 1 187 . 1 1 42 42 THR H H 1 7.34 0.015 . 1 . . . . . . . . 6408 1 188 . 1 1 42 42 THR C C 13 173.4 0.08 . 1 . . . . . . . . 6408 1 189 . 1 1 42 42 THR CA C 13 59.6 0.31 . 1 . . . . . . . . 6408 1 190 . 1 1 42 42 THR CB C 13 71.8 0.31 . 1 . . . . . . . . 6408 1 191 . 1 1 42 42 THR N N 15 110.7 0.14 . 1 . . . . . . . . 6408 1 192 . 1 1 43 43 PHE H H 1 8.64 0.015 . 1 . . . . . . . . 6408 1 193 . 1 1 43 43 PHE C C 13 175.5 0.08 . 1 . . . . . . . . 6408 1 194 . 1 1 43 43 PHE CA C 13 57.6 0.31 . 1 . . . . . . . . 6408 1 195 . 1 1 43 43 PHE CB C 13 44.3 0.31 . 1 . . . . . . . . 6408 1 196 . 1 1 43 43 PHE N N 15 117.5 0.14 . 1 . . . . . . . . 6408 1 197 . 1 1 44 44 SER C C 13 174.5 0.08 . 1 . . . . . . . . 6408 1 198 . 1 1 44 44 SER CA C 13 60.1 0.31 . 1 . . . . . . . . 6408 1 199 . 1 1 44 44 SER CB C 13 64.4 0.31 . 1 . . . . . . . . 6408 1 200 . 1 1 45 45 THR H H 1 7.18 0.015 . 1 . . . . . . . . 6408 1 201 . 1 1 45 45 THR C C 13 173.5 0.08 . 1 . . . . . . . . 6408 1 202 . 1 1 45 45 THR CA C 13 59.2 0.31 . 1 . . . . . . . . 6408 1 203 . 1 1 45 45 THR CB C 13 73.2 0.31 . 1 . . . . . . . . 6408 1 204 . 1 1 45 45 THR N N 15 107.7 0.14 . 1 . . . . . . . . 6408 1 205 . 1 1 46 46 GLN H H 1 8.46 0.015 . 1 . . . . . . . . 6408 1 206 . 1 1 46 46 GLN C C 13 177.9 0.08 . 1 . . . . . . . . 6408 1 207 . 1 1 46 46 GLN CA C 13 58.5 0.31 . 1 . . . . . . . . 6408 1 208 . 1 1 46 46 GLN CB C 13 28.2 0.31 . 1 . . . . . . . . 6408 1 209 . 1 1 46 46 GLN N N 15 122.9 0.14 . 1 . . . . . . . . 6408 1 210 . 1 1 47 47 TYR H H 1 8.04 0.015 . 1 . . . . . . . . 6408 1 211 . 1 1 47 47 TYR C C 13 178.2 0.08 . 1 . . . . . . . . 6408 1 212 . 1 1 47 47 TYR CA C 13 61.2 0.31 . 1 . . . . . . . . 6408 1 213 . 1 1 47 47 TYR CB C 13 38.0 0.31 . 1 . . . . . . . . 6408 1 214 . 1 1 47 47 TYR N N 15 119.6 0.14 . 1 . . . . . . . . 6408 1 215 . 1 1 48 48 SER H H 1 7.82 0.015 . 1 . . . . . . . . 6408 1 216 . 1 1 48 48 SER C C 13 176.9 0.08 . 1 . . . . . . . . 6408 1 217 . 1 1 48 48 SER CA C 13 61.2 0.31 . 1 . . . . . . . . 6408 1 218 . 1 1 48 48 SER CB C 13 62.8 0.31 . 1 . . . . . . . . 6408 1 219 . 1 1 48 48 SER N N 15 117.2 0.14 . 1 . . . . . . . . 6408 1 220 . 1 1 49 49 LEU H H 1 7.10 0.015 . 1 . . . . . . . . 6408 1 221 . 1 1 49 49 LEU C C 13 177.5 0.08 . 1 . . . . . . . . 6408 1 222 . 1 1 49 49 LEU CA C 13 58.1 0.31 . 1 . . . . . . . . 6408 1 223 . 1 1 49 49 LEU CB C 13 40.7 0.31 . 1 . . . . . . . . 6408 1 224 . 1 1 49 49 LEU N N 15 125.0 0.14 . 1 . . . . . . . . 6408 1 225 . 1 1 50 50 LYS H H 1 8.26 0.015 . 1 . . . . . . . . 6408 1 226 . 1 1 50 50 LYS C C 13 179.6 0.08 . 1 . . . . . . . . 6408 1 227 . 1 1 50 50 LYS CA C 13 59.9 0.31 . 1 . . . . . . . . 6408 1 228 . 1 1 50 50 LYS CB C 13 31.9 0.31 . 1 . . . . . . . . 6408 1 229 . 1 1 50 50 LYS N N 15 120.0 0.14 . 1 . . . . . . . . 6408 1 230 . 1 1 51 51 SER H H 1 7.66 0.015 . 1 . . . . . . . . 6408 1 231 . 1 1 51 51 SER C C 13 176.9 0.08 . 1 . . . . . . . . 6408 1 232 . 1 1 51 51 SER CA C 13 61.2 0.31 . 1 . . . . . . . . 6408 1 233 . 1 1 51 51 SER CB C 13 62.5 0.31 . 1 . . . . . . . . 6408 1 234 . 1 1 51 51 SER N N 15 114.2 0.14 . 1 . . . . . . . . 6408 1 235 . 1 1 52 52 HIS H H 1 7.39 0.015 . 1 . . . . . . . . 6408 1 236 . 1 1 52 52 HIS C C 13 177.8 0.08 . 1 . . . . . . . . 6408 1 237 . 1 1 52 52 HIS CA C 13 59.0 0.31 . 1 . . . . . . . . 6408 1 238 . 1 1 52 52 HIS CB C 13 28.6 0.31 . 1 . . . . . . . . 6408 1 239 . 1 1 52 52 HIS N N 15 121.9 0.14 . 1 . . . . . . . . 6408 1 240 . 1 1 53 53 MET H H 1 8.29 0.015 . 1 . . . . . . . . 6408 1 241 . 1 1 53 53 MET C C 13 177.8 0.08 . 1 . . . . . . . . 6408 1 242 . 1 1 53 53 MET CA C 13 58.8 0.31 . 1 . . . . . . . . 6408 1 243 . 1 1 53 53 MET CB C 13 32.1 0.31 . 1 . . . . . . . . 6408 1 244 . 1 1 53 53 MET N N 15 118.3 0.14 . 1 . . . . . . . . 6408 1 245 . 1 1 54 54 LYS H H 1 7.06 0.015 . 1 . . . . . . . . 6408 1 246 . 1 1 54 54 LYS C C 13 177.0 0.08 . 1 . . . . . . . . 6408 1 247 . 1 1 54 54 LYS CA C 13 58.3 0.31 . 1 . . . . . . . . 6408 1 248 . 1 1 54 54 LYS CB C 13 32.1 0.31 . 1 . . . . . . . . 6408 1 249 . 1 1 54 54 LYS N N 15 118.5 0.14 . 1 . . . . . . . . 6408 1 250 . 1 1 55 55 GLY H H 1 7.53 0.015 . 1 . . . . . . . . 6408 1 251 . 1 1 55 55 GLY C C 13 174.2 0.08 . 1 . . . . . . . . 6408 1 252 . 1 1 55 55 GLY CA C 13 45.1 0.31 . 1 . . . . . . . . 6408 1 253 . 1 1 55 55 GLY N N 15 105.6 0.14 . 1 . . . . . . . . 6408 1 254 . 1 1 56 56 HIS H H 1 7.04 0.015 . 1 . . . . . . . . 6408 1 255 . 1 1 56 56 HIS C C 13 179.7 0.08 . 1 . . . . . . . . 6408 1 256 . 1 1 56 56 HIS CA C 13 57.5 0.31 . 1 . . . . . . . . 6408 1 257 . 1 1 56 56 HIS CB C 13 30.2 0.31 . 1 . . . . . . . . 6408 1 258 . 1 1 56 56 HIS N N 15 124.8 0.14 . 1 . . . . . . . . 6408 1 stop_ save_