data_6276 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6276 _Entry.Title ; 1H, 13C and 15N resonance assignments for the six-zinc finger domain of the MTF-1 metalloregulatory protein in the DNA bound state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-07-27 _Entry.Accession_date 2004-07-28 _Entry.Last_release_date . _Entry.Original_release_date . _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 Linda Feng . S. . 6276 2 Nathan Knudsen . A. . 6276 3 Glen Andrews . K. . 6276 4 John Laity . H. . 6276 5 Belinda Potter . M. . 6276 6 Viktor Matskevich . . . 6276 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6276 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 453 6276 '1H chemical shifts' 158 6276 '15N chemical shifts' 158 6276 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 . . 2010-07-15 2004-07-27 update BMRB 'update DNA residue label to two-letter code' 6276 1 . . 2005-07-25 2004-07-27 original author 'original release' 6276 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' 6276 BMRB 6408 'Two Zinc MTF-1' 6276 BMRB 6409 'Four Zinc MTF-1' 6276 BMRB 6445 'MTF-1 in the DNA bound state (22 bp)' 6276 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6276 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR assignment of the six zinc fingers of MTF-1 in the free and DNA-bound states' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 31 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 94 _Citation.Page_last 94 _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. . 6276 1 2 Nathan Knudsen . A. . 6276 1 3 Linda Feng . S. . 6276 1 4 Viktor Matskevich . A. . 6276 1 5 Jed Wilson . A. . 6276 1 6 Glen Andrews . K. . 6276 1 7 John Laity . H. . 6276 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DNA binding' 6276 1 metal-sensing 6276 1 'transcriptional regulation' 6276 1 zinc-binding 6276 1 'zinc finger' 6276 1 'zinc homeostasis' 6276 1 stop_ save_ save_Original_cloning_of_MTF-1 _Citation.Sf_category citations _Citation.Sf_framecode Original_cloning_of_MTF-1 _Citation.Entry_ID 6276 _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. . . 6276 2 2 R. Heuchel R. . . 6276 2 3 O. Georgiev O. . . 6276 2 4 M. Hergersberg M. . . 6276 2 5 M. Gariglio M. . . 6276 2 6 Z. Dembic Z. . . 6276 2 7 W. Schaffner W. . . 6276 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_MTF-1_MRE _Assembly.Sf_category assembly _Assembly.Sf_framecode system_MTF-1_MRE _Assembly.Entry_ID 6276 _Assembly.ID 1 _Assembly.Name 'Metal-response element-binding transcription factor-1 complex with MRE DNA' _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 'protein-DNA complex' 6276 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 monomer' 3 $MTF-1 . . . native . . . . . 6276 1 2 'DNA strand one' 1 $MRE_sense . . . native . . . . . 6276 1 3 'DNA strand two' 2 $MRE_antisense . . . native . . . . . 6276 1 4 'ZINC (II) ION 1' 4 $ZN . . . native . . . . . 6276 1 5 'ZINC (II) ION 2' 4 $ZN . . . native . . . . . 6276 1 6 'ZINC (II) ION 3' 4 $ZN . . . native . . . . . 6276 1 7 'ZINC (II) ION 4' 4 $ZN . . . native . . . . . 6276 1 8 'ZINC (II) ION 5' 4 $ZN . . . native . . . . . 6276 1 9 'ZINC (II) ION 6' 4 $ZN . . . native . . . . . 6276 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 . 3 CYS 6 6 SG . 4 . 4 ZN 1 1 ZN . . . . . . . . . . 6276 1 2 coordination single . 1 . 3 CYS 11 11 SG . 4 . 4 ZN 1 1 ZN . . . . . . . . . . 6276 1 3 coordination single . 1 . 3 HIS 24 24 NE2 . 4 . 4 ZN 1 1 ZN . . . . . . . . . . 6276 1 4 coordination single . 1 . 3 HIS 28 28 NE2 . 4 . 4 ZN 1 1 ZN . . . . . . . . . . 6276 1 5 coordination single . 1 . 3 CYS 36 36 SG . 5 . 4 ZN 1 1 ZN . . . . . . . . . . 6276 1 6 coordination single . 1 . 3 CYS 41 41 SG . 5 . 4 ZN 1 1 ZN . . . . . . . . . . 6276 1 7 coordination single . 1 . 3 HIS 54 54 NE2 . 5 . 4 ZN 1 1 ZN . . . . . . . . . . 6276 1 8 coordination single . 1 . 3 HIS 58 58 NE2 . 5 . 4 ZN 1 1 ZN . . . . . . . . . . 6276 1 9 coordination single . 1 . 3 CYS 66 66 SG . 6 . 4 ZN 1 1 ZN . . . . . . . . . . 6276 1 10 coordination single . 1 . 3 CYS 71 71 SG . 6 . 4 ZN 1 1 ZN . . . . . . . . . . 6276 1 11 coordination single . 1 . 3 HIS 84 84 NE2 . 6 . 4 ZN 1 1 ZN . . . . . . . . . . 6276 1 12 coordination single . 1 . 3 HIS 88 88 NE2 . 6 . 4 ZN 1 1 ZN . . . . . . . . . . 6276 1 13 coordination single . 1 . 3 CYS 95 95 SG . 7 . 4 ZN 1 1 ZN . . . . . . . . . . 6276 1 14 coordination single . 1 . 3 CYS 100 100 SG . 7 . 4 ZN 1 1 ZN . . . . . . . . . . 6276 1 15 coordination single . 1 . 3 HIS 113 113 NE2 . 7 . 4 ZN 1 1 ZN . . . . . . . . . . 6276 1 16 coordination single . 1 . 3 HIS 117 117 NE2 . 7 . 4 ZN 1 1 ZN . . . . . . . . . . 6276 1 17 coordination single . 1 . 3 CYS 125 125 SG . 8 . 4 ZN 1 1 ZN . . . . . . . . . . 6276 1 18 coordination single . 1 . 3 CYS 130 130 SG . 8 . 4 ZN 1 1 ZN . . . . . . . . . . 6276 1 19 coordination single . 1 . 3 HIS 143 143 NE2 . 8 . 4 ZN 1 1 ZN . . . . . . . . . . 6276 1 20 coordination single . 1 . 3 HIS 147 147 NE2 . 8 . 4 ZN 1 1 ZN . . . . . . . . . . 6276 1 21 coordination single . 1 . 3 CYS 155 155 SG . 9 . 4 ZN 1 1 ZN . . . . . . . . . . 6276 1 22 coordination single . 1 . 3 CYS 160 160 SG . 9 . 4 ZN 1 1 ZN . . . . . . . . . . 6276 1 23 coordination single . 1 . 3 HIS 173 173 NE2 . 9 . 4 ZN 1 1 ZN . . . . . . . . . . 6276 1 24 coordination single . 1 . 3 HIS 177 177 NE2 . 9 . 4 ZN 1 1 ZN . . . . . . . . . . 6276 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Metal-response element-binding transcription factor-1 complex with MRE DNA' system 6276 1 MTF-1/MRE abbreviation 6276 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'transcription factor' 6276 1 'metalloregulatory protein' 6276 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MRE_sense _Entity.Sf_category entity _Entity.Sf_framecode MRE_sense _Entity.Entry_ID 6276 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Metal response element' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code GCTCTGCACTCCGCCCG _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 17 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Metal response element' common 6276 1 'MREd (murine)' variant 6276 1 MRE abbreviation 6276 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 . DG . 6276 1 2 . DC . 6276 1 3 . DT . 6276 1 4 . DC . 6276 1 5 . DT . 6276 1 6 . DG . 6276 1 7 . DC . 6276 1 8 . DA . 6276 1 9 . DC . 6276 1 10 . DT . 6276 1 11 . DC . 6276 1 12 . DC . 6276 1 13 . DG . 6276 1 14 . DC . 6276 1 15 . DC . 6276 1 16 . DC . 6276 1 17 . DG . 6276 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 . DG 1 1 6276 1 . DC 2 2 6276 1 . DT 3 3 6276 1 . DC 4 4 6276 1 . DT 5 5 6276 1 . DG 6 6 6276 1 . DC 7 7 6276 1 . DA 8 8 6276 1 . DC 9 9 6276 1 . DT 10 10 6276 1 . DC 11 11 6276 1 . DC 12 12 6276 1 . DG 13 13 6276 1 . DC 14 14 6276 1 . DC 15 15 6276 1 . DC 16 16 6276 1 . DG 17 17 6276 1 stop_ save_ save_MRE_antisense _Entity.Sf_category entity _Entity.Sf_framecode MRE_antisense _Entity.Entry_ID 6276 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'Metal response element' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code CGGGCGGAGTGCAGAGC _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 17 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _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_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Metal response element' common 6276 2 'MREd (murine)' variant 6276 2 MRE abbreviation 6276 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . DC . 6276 2 2 . DG . 6276 2 3 . DG . 6276 2 4 . DG . 6276 2 5 . DC . 6276 2 6 . DG . 6276 2 7 . DG . 6276 2 8 . DA . 6276 2 9 . DG . 6276 2 10 . DT . 6276 2 11 . DG . 6276 2 12 . DC . 6276 2 13 . DA . 6276 2 14 . DG . 6276 2 15 . DA . 6276 2 16 . DG . 6276 2 17 . DC . 6276 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 . DC 1 1 6276 2 . DG 2 2 6276 2 . DG 3 3 6276 2 . DG 4 4 6276 2 . DC 5 5 6276 2 . DG 6 6 6276 2 . DG 7 7 6276 2 . DA 8 8 6276 2 . DG 9 9 6276 2 . DT 10 10 6276 2 . DG 11 11 6276 2 . DC 12 12 6276 2 . DA 13 13 6276 2 . DG 14 14 6276 2 . DA 15 15 6276 2 . DG 16 16 6276 2 . DC 17 17 6276 2 stop_ save_ save_MTF-1 _Entity.Sf_category entity _Entity.Sf_framecode MTF-1 _Entity.Entry_ID 6276 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name 'metal-response 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 ; VKRYQCTFEGCPRTYSTAGN LRTHQKTHRGEYTFVCNQEG CGKAFLTSYSLRIHVRVHTK EKPFECDVQGCEKAFNTLYR LKAHQRLHTGKTFNCESQGC SKYFTTLSDLRKHIRTHTGE KPFRCDHDGCGKAFAASHHL KTHVRTHTGERPFFCPSNGC EKTFSTQYSLKSHMKGH ; _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 177 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20367 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Six Cys2His2 zinc finger motifs' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 6275 . MTF-1 . . . . . 100.00 177 100.00 100.00 2.98e-125 . . . . 6276 3 2 no BMRB 6445 . "metal-response element-binding transcription factor-1" . . . . . 100.00 177 100.00 100.00 2.98e-125 . . . . 6276 3 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'metal-response element-binding transcription factor-1' common 6276 3 MTF-1 abbreviation 6276 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 . VAL . 6276 3 2 . LYS . 6276 3 3 . ARG . 6276 3 4 . TYR . 6276 3 5 . GLN . 6276 3 6 . CYS . 6276 3 7 . THR . 6276 3 8 . PHE . 6276 3 9 . GLU . 6276 3 10 . GLY . 6276 3 11 . CYS . 6276 3 12 . PRO . 6276 3 13 . ARG . 6276 3 14 . THR . 6276 3 15 . TYR . 6276 3 16 . SER . 6276 3 17 . THR . 6276 3 18 . ALA . 6276 3 19 . GLY . 6276 3 20 . ASN . 6276 3 21 . LEU . 6276 3 22 . ARG . 6276 3 23 . THR . 6276 3 24 . HIS . 6276 3 25 . GLN . 6276 3 26 . LYS . 6276 3 27 . THR . 6276 3 28 . HIS . 6276 3 29 . ARG . 6276 3 30 . GLY . 6276 3 31 . GLU . 6276 3 32 . TYR . 6276 3 33 . THR . 6276 3 34 . PHE . 6276 3 35 . VAL . 6276 3 36 . CYS . 6276 3 37 . ASN . 6276 3 38 . GLN . 6276 3 39 . GLU . 6276 3 40 . GLY . 6276 3 41 . CYS . 6276 3 42 . GLY . 6276 3 43 . LYS . 6276 3 44 . ALA . 6276 3 45 . PHE . 6276 3 46 . LEU . 6276 3 47 . THR . 6276 3 48 . SER . 6276 3 49 . TYR . 6276 3 50 . SER . 6276 3 51 . LEU . 6276 3 52 . ARG . 6276 3 53 . ILE . 6276 3 54 . HIS . 6276 3 55 . VAL . 6276 3 56 . ARG . 6276 3 57 . VAL . 6276 3 58 . HIS . 6276 3 59 . THR . 6276 3 60 . LYS . 6276 3 61 . GLU . 6276 3 62 . LYS . 6276 3 63 . PRO . 6276 3 64 . PHE . 6276 3 65 . GLU . 6276 3 66 . CYS . 6276 3 67 . ASP . 6276 3 68 . VAL . 6276 3 69 . GLN . 6276 3 70 . GLY . 6276 3 71 . CYS . 6276 3 72 . GLU . 6276 3 73 . LYS . 6276 3 74 . ALA . 6276 3 75 . PHE . 6276 3 76 . ASN . 6276 3 77 . THR . 6276 3 78 . LEU . 6276 3 79 . TYR . 6276 3 80 . ARG . 6276 3 81 . LEU . 6276 3 82 . LYS . 6276 3 83 . ALA . 6276 3 84 . HIS . 6276 3 85 . GLN . 6276 3 86 . ARG . 6276 3 87 . LEU . 6276 3 88 . HIS . 6276 3 89 . THR . 6276 3 90 . GLY . 6276 3 91 . LYS . 6276 3 92 . THR . 6276 3 93 . PHE . 6276 3 94 . ASN . 6276 3 95 . CYS . 6276 3 96 . GLU . 6276 3 97 . SER . 6276 3 98 . GLN . 6276 3 99 . GLY . 6276 3 100 . CYS . 6276 3 101 . SER . 6276 3 102 . LYS . 6276 3 103 . TYR . 6276 3 104 . PHE . 6276 3 105 . THR . 6276 3 106 . THR . 6276 3 107 . LEU . 6276 3 108 . SER . 6276 3 109 . ASP . 6276 3 110 . LEU . 6276 3 111 . ARG . 6276 3 112 . LYS . 6276 3 113 . HIS . 6276 3 114 . ILE . 6276 3 115 . ARG . 6276 3 116 . THR . 6276 3 117 . HIS . 6276 3 118 . THR . 6276 3 119 . GLY . 6276 3 120 . GLU . 6276 3 121 . LYS . 6276 3 122 . PRO . 6276 3 123 . PHE . 6276 3 124 . ARG . 6276 3 125 . CYS . 6276 3 126 . ASP . 6276 3 127 . HIS . 6276 3 128 . ASP . 6276 3 129 . GLY . 6276 3 130 . CYS . 6276 3 131 . GLY . 6276 3 132 . LYS . 6276 3 133 . ALA . 6276 3 134 . PHE . 6276 3 135 . ALA . 6276 3 136 . ALA . 6276 3 137 . SER . 6276 3 138 . HIS . 6276 3 139 . HIS . 6276 3 140 . LEU . 6276 3 141 . LYS . 6276 3 142 . THR . 6276 3 143 . HIS . 6276 3 144 . VAL . 6276 3 145 . ARG . 6276 3 146 . THR . 6276 3 147 . HIS . 6276 3 148 . THR . 6276 3 149 . GLY . 6276 3 150 . GLU . 6276 3 151 . ARG . 6276 3 152 . PRO . 6276 3 153 . PHE . 6276 3 154 . PHE . 6276 3 155 . CYS . 6276 3 156 . PRO . 6276 3 157 . SER . 6276 3 158 . ASN . 6276 3 159 . GLY . 6276 3 160 . CYS . 6276 3 161 . GLU . 6276 3 162 . LYS . 6276 3 163 . THR . 6276 3 164 . PHE . 6276 3 165 . SER . 6276 3 166 . THR . 6276 3 167 . GLN . 6276 3 168 . TYR . 6276 3 169 . SER . 6276 3 170 . LEU . 6276 3 171 . LYS . 6276 3 172 . SER . 6276 3 173 . HIS . 6276 3 174 . MET . 6276 3 175 . LYS . 6276 3 176 . GLY . 6276 3 177 . HIS . 6276 3 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 . VAL 1 1 6276 3 . LYS 2 2 6276 3 . ARG 3 3 6276 3 . TYR 4 4 6276 3 . GLN 5 5 6276 3 . CYS 6 6 6276 3 . THR 7 7 6276 3 . PHE 8 8 6276 3 . GLU 9 9 6276 3 . GLY 10 10 6276 3 . CYS 11 11 6276 3 . PRO 12 12 6276 3 . ARG 13 13 6276 3 . THR 14 14 6276 3 . TYR 15 15 6276 3 . SER 16 16 6276 3 . THR 17 17 6276 3 . ALA 18 18 6276 3 . GLY 19 19 6276 3 . ASN 20 20 6276 3 . LEU 21 21 6276 3 . ARG 22 22 6276 3 . THR 23 23 6276 3 . HIS 24 24 6276 3 . GLN 25 25 6276 3 . LYS 26 26 6276 3 . THR 27 27 6276 3 . HIS 28 28 6276 3 . ARG 29 29 6276 3 . GLY 30 30 6276 3 . GLU 31 31 6276 3 . TYR 32 32 6276 3 . THR 33 33 6276 3 . PHE 34 34 6276 3 . VAL 35 35 6276 3 . CYS 36 36 6276 3 . ASN 37 37 6276 3 . GLN 38 38 6276 3 . GLU 39 39 6276 3 . GLY 40 40 6276 3 . CYS 41 41 6276 3 . GLY 42 42 6276 3 . LYS 43 43 6276 3 . ALA 44 44 6276 3 . PHE 45 45 6276 3 . LEU 46 46 6276 3 . THR 47 47 6276 3 . SER 48 48 6276 3 . TYR 49 49 6276 3 . SER 50 50 6276 3 . LEU 51 51 6276 3 . ARG 52 52 6276 3 . ILE 53 53 6276 3 . HIS 54 54 6276 3 . VAL 55 55 6276 3 . ARG 56 56 6276 3 . VAL 57 57 6276 3 . HIS 58 58 6276 3 . THR 59 59 6276 3 . LYS 60 60 6276 3 . GLU 61 61 6276 3 . LYS 62 62 6276 3 . PRO 63 63 6276 3 . PHE 64 64 6276 3 . GLU 65 65 6276 3 . CYS 66 66 6276 3 . ASP 67 67 6276 3 . VAL 68 68 6276 3 . GLN 69 69 6276 3 . GLY 70 70 6276 3 . CYS 71 71 6276 3 . GLU 72 72 6276 3 . LYS 73 73 6276 3 . ALA 74 74 6276 3 . PHE 75 75 6276 3 . ASN 76 76 6276 3 . THR 77 77 6276 3 . LEU 78 78 6276 3 . TYR 79 79 6276 3 . ARG 80 80 6276 3 . LEU 81 81 6276 3 . LYS 82 82 6276 3 . ALA 83 83 6276 3 . HIS 84 84 6276 3 . GLN 85 85 6276 3 . ARG 86 86 6276 3 . LEU 87 87 6276 3 . HIS 88 88 6276 3 . THR 89 89 6276 3 . GLY 90 90 6276 3 . LYS 91 91 6276 3 . THR 92 92 6276 3 . PHE 93 93 6276 3 . ASN 94 94 6276 3 . CYS 95 95 6276 3 . GLU 96 96 6276 3 . SER 97 97 6276 3 . GLN 98 98 6276 3 . GLY 99 99 6276 3 . CYS 100 100 6276 3 . SER 101 101 6276 3 . LYS 102 102 6276 3 . TYR 103 103 6276 3 . PHE 104 104 6276 3 . THR 105 105 6276 3 . THR 106 106 6276 3 . LEU 107 107 6276 3 . SER 108 108 6276 3 . ASP 109 109 6276 3 . LEU 110 110 6276 3 . ARG 111 111 6276 3 . LYS 112 112 6276 3 . HIS 113 113 6276 3 . ILE 114 114 6276 3 . ARG 115 115 6276 3 . THR 116 116 6276 3 . HIS 117 117 6276 3 . THR 118 118 6276 3 . GLY 119 119 6276 3 . GLU 120 120 6276 3 . LYS 121 121 6276 3 . PRO 122 122 6276 3 . PHE 123 123 6276 3 . ARG 124 124 6276 3 . CYS 125 125 6276 3 . ASP 126 126 6276 3 . HIS 127 127 6276 3 . ASP 128 128 6276 3 . GLY 129 129 6276 3 . CYS 130 130 6276 3 . GLY 131 131 6276 3 . LYS 132 132 6276 3 . ALA 133 133 6276 3 . PHE 134 134 6276 3 . ALA 135 135 6276 3 . ALA 136 136 6276 3 . SER 137 137 6276 3 . HIS 138 138 6276 3 . HIS 139 139 6276 3 . LEU 140 140 6276 3 . LYS 141 141 6276 3 . THR 142 142 6276 3 . HIS 143 143 6276 3 . VAL 144 144 6276 3 . ARG 145 145 6276 3 . THR 146 146 6276 3 . HIS 147 147 6276 3 . THR 148 148 6276 3 . GLY 149 149 6276 3 . GLU 150 150 6276 3 . ARG 151 151 6276 3 . PRO 152 152 6276 3 . PHE 153 153 6276 3 . PHE 154 154 6276 3 . CYS 155 155 6276 3 . PRO 156 156 6276 3 . SER 157 157 6276 3 . ASN 158 158 6276 3 . GLY 159 159 6276 3 . CYS 160 160 6276 3 . GLU 161 161 6276 3 . LYS 162 162 6276 3 . THR 163 163 6276 3 . PHE 164 164 6276 3 . SER 165 165 6276 3 . THR 166 166 6276 3 . GLN 167 167 6276 3 . TYR 168 168 6276 3 . SER 169 169 6276 3 . LEU 170 170 6276 3 . LYS 171 171 6276 3 . SER 172 172 6276 3 . HIS 173 173 6276 3 . MET 174 174 6276 3 . LYS 175 175 6276 3 . GLY 176 176 6276 3 . HIS 177 177 6276 3 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 6276 _Entity.ID 4 _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 4 _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 . 6276 4 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 6276 _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 2 $MRE_antisense . 10090 organism . 'Mus musculus' mouse . . Eukaryota Metazoa Mus musculus . . . ubiquitous ubiquitous . . . . . . . nucleus . 'commercially synthesized' . 'MREd promotor' . . . . 6276 1 2 1 $MRE_sense . 10090 organism . 'Mus musculus' mouse . . Eukaryota Metazoa Mus musculus . . . ubiquitous ubiquitous . . . . . . . nucleus . 'commercially synthesized' . 'MREd promotor' . . . . 6276 1 3 3 $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 . . . . 6276 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 6276 _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 2 $MRE_antisense . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6276 1 2 1 $MRE_sense . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6276 1 3 3 $MTF-1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6276 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 6276 _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 6276 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 6276 ZN [Zn++] SMILES CACTVS 3.341 6276 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6276 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 6276 ZN InChI=1S/Zn/q+2 InChI InChI 1.03 6276 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 6276 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 6276 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6276 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 . 6276 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_all_samples _Sample.Sf_category sample _Sample.Sf_framecode all_samples _Sample.Entry_ID 6276 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'All spectra were recorded with 95% H2O/5% D2O' _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-response element-binding transcription factor-1' '[U-80% 2H; U-98% 13C; U-98% 15N]' . . 3 $MTF-1 . . 0.4 0.35 0.5 mM . . . . 6276 1 2 '2-Morpholinoethanesulfonic acid' . . . . . . . 20 . . mM . . . . 6276 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 6276 _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. Protein was titrated into DNA solution in small aliquots to make complex.' 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 0.03 pH 6276 1 temperature 303 0.1 K 6276 1 'ionic strength' 0.01 0.01 M 6276 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6276 _Software.ID 1 _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' 6276 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 6276 _Software.ID 2 _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' 6276 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 6276 _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 6276 _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 . . . 6276 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 6276 _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 . . . . . . . . . . . . . . . . 6276 1 2 HNCACB . . . . . . . . . . . 1 $all_samples . . . 1 $Cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6276 1 3 HNCA . . . . . . . . . . . 1 $all_samples . . . 1 $Cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6276 1 4 HNCO . . . . . . . . . . . 1 $all_samples . . . 1 $Cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6276 1 5 HN(CO)CA . . . . . . . . . . . 1 $all_samples . . . 1 $Cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6276 1 6 HN(CA)CO . . . . . . . . . . . 1 $all_samples . . . 1 $Cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6276 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 6276 _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 cryogenically cooled HCN Triax probe (cryoprobe) was used for all 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 6276 _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 cryogenically cooled HCN Triax probe (cryoprobe) was used for all 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 6276 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _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 cryogenically cooled HCN Triax probe (cryoprobe) was used for all 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 6276 _NMR_spec_expt.ID 4 _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 cryogenically cooled HCN Triax probe (cryoprobe) was used for all 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 6276 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HN(CO)CA _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 cryogenically cooled HCN Triax probe (cryoprobe) was used for all experiments' save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6276 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HN(CA)CO _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 cryogenically cooled HCN Triax probe (cryoprobe) was used for all 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 6276 _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 . . . . . . . . . 6276 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6276 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6276 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_MRE_bound _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode MTF-1_MRE_bound _Assigned_chem_shift_list.Entry_ID 6276 _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 . 6276 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 3 4 4 TYR C C 13 176.0 0.20 . 1 . . . . . . . . 6276 1 2 . 1 3 4 4 TYR CA C 13 58.25 0.20 . 1 . . . . . . . . 6276 1 3 . 1 3 5 5 GLN H H 1 8.68 0.015 . 1 . . . . . . . . 6276 1 4 . 1 3 5 5 GLN C C 13 174.9 0.08 . 1 . . . . . . . . 6276 1 5 . 1 3 5 5 GLN CA C 13 55.32 0.20 . 1 . . . . . . . . 6276 1 6 . 1 3 5 5 GLN CB C 13 30.14 0.31 . 1 . . . . . . . . 6276 1 7 . 1 3 5 5 GLN N N 15 125.2 0.14 . 1 . . . . . . . . 6276 1 8 . 1 3 6 6 CYS H H 1 8.58 0.015 . 1 . . . . . . . . 6276 1 9 . 1 3 6 6 CYS C C 13 176.5 0.08 . 1 . . . . . . . . 6276 1 10 . 1 3 6 6 CYS CA C 13 62.55 0.20 . 1 . . . . . . . . 6276 1 11 . 1 3 6 6 CYS CB C 13 30.06 0.31 . 1 . . . . . . . . 6276 1 12 . 1 3 6 6 CYS N N 15 126.7 0.14 . 1 . . . . . . . . 6276 1 13 . 1 3 7 7 THR H H 1 7.58 0.015 . 1 . . . . . . . . 6276 1 14 . 1 3 7 7 THR C C 13 175.7 0.08 . 1 . . . . . . . . 6276 1 15 . 1 3 7 7 THR CA C 13 61.99 0.20 . 1 . . . . . . . . 6276 1 16 . 1 3 7 7 THR N N 15 116.1 0.14 . 1 . . . . . . . . 6276 1 17 . 1 3 8 8 PHE H H 1 9.10 0.015 . 1 . . . . . . . . 6276 1 18 . 1 3 8 8 PHE C C 13 176.5 0.08 . 1 . . . . . . . . 6276 1 19 . 1 3 8 8 PHE CA C 13 59.87 0.20 . 1 . . . . . . . . 6276 1 20 . 1 3 8 8 PHE CB C 13 39.21 0.31 . 1 . . . . . . . . 6276 1 21 . 1 3 8 8 PHE N N 15 129.0 0.14 . 1 . . . . . . . . 6276 1 22 . 1 3 9 9 GLU H H 1 8.27 0.015 . 1 . . . . . . . . 6276 1 23 . 1 3 9 9 GLU C C 13 178.1 0.08 . 1 . . . . . . . . 6276 1 24 . 1 3 9 9 GLU CA C 13 58.51 0.20 . 1 . . . . . . . . 6276 1 25 . 1 3 9 9 GLU CB C 13 28.90 0.31 . 1 . . . . . . . . 6276 1 26 . 1 3 9 9 GLU N N 15 127.7 0.14 . 1 . . . . . . . . 6276 1 27 . 1 3 10 10 GLY H H 1 8.88 0.015 . 5 . . . . . . . . 6276 1 28 . 1 3 10 10 GLY C C 13 174.1 0.08 . 5 . . . . . . . . 6276 1 29 . 1 3 10 10 GLY CA C 13 45.64 0.20 . 5 . . . . . . . . 6276 1 30 . 1 3 10 10 GLY N N 15 114.1 0.14 . 5 . . . . . . . . 6276 1 31 . 1 3 11 11 CYS H H 1 8.19 0.015 . 1 . . . . . . . . 6276 1 32 . 1 3 11 11 CYS CA C 13 57.08 0.20 . 1 . . . . . . . . 6276 1 33 . 1 3 11 11 CYS CB C 13 31.17 0.31 . 1 . . . . . . . . 6276 1 34 . 1 3 11 11 CYS N N 15 125.6 0.14 . 1 . . . . . . . . 6276 1 35 . 1 3 12 12 PRO C C 13 177.7 0.08 . 5 . . . . . . . . 6276 1 36 . 1 3 12 12 PRO CA C 13 63.37 0.20 . 5 . . . . . . . . 6276 1 37 . 1 3 13 13 ARG H H 1 7.97 0.015 . 1 . . . . . . . . 6276 1 38 . 1 3 13 13 ARG C C 13 175.7 0.08 . 1 . . . . . . . . 6276 1 39 . 1 3 13 13 ARG CA C 13 59.04 0.20 . 1 . . . . . . . . 6276 1 40 . 1 3 13 13 ARG CB C 13 30.70 0.31 . 1 . . . . . . . . 6276 1 41 . 1 3 13 13 ARG N N 15 123.2 0.14 . 1 . . . . . . . . 6276 1 42 . 1 3 14 14 THR H H 1 7.18 0.015 . 1 . . . . . . . . 6276 1 43 . 1 3 14 14 THR CA C 13 59.89 0.20 . 1 . . . . . . . . 6276 1 44 . 1 3 14 14 THR CB C 13 73.24 0.31 . 1 . . . . . . . . 6276 1 45 . 1 3 14 14 THR N N 15 109.2 0.14 . 1 . . . . . . . . 6276 1 46 . 1 3 15 15 TYR C C 13 177.1 0.08 . 1 . . . . . . . . 6276 1 47 . 1 3 15 15 TYR CA C 13 59.29 0.20 . 1 . . . . . . . . 6276 1 48 . 1 3 16 16 SER H H 1 10.63 0.015 . 1 . . . . . . . . 6276 1 49 . 1 3 16 16 SER C C 13 175.6 0.08 . 1 . . . . . . . . 6276 1 50 . 1 3 16 16 SER CA C 13 60.69 0.20 . 1 . . . . . . . . 6276 1 51 . 1 3 16 16 SER N N 15 118.1 0.14 . 1 . . . . . . . . 6276 1 52 . 1 3 17 17 THR H H 1 7.26 0.015 . 1 . . . . . . . . 6276 1 53 . 1 3 17 17 THR C C 13 174.0 0.08 . 1 . . . . . . . . 6276 1 54 . 1 3 17 17 THR CA C 13 59.06 0.20 . 1 . . . . . . . . 6276 1 55 . 1 3 17 17 THR CB C 13 72.94 0.31 . 1 . . . . . . . . 6276 1 56 . 1 3 17 17 THR N N 15 109.1 0.14 . 1 . . . . . . . . 6276 1 57 . 1 3 18 18 ALA H H 1 8.22 0.015 . 1 . . . . . . . . 6276 1 58 . 1 3 18 18 ALA C C 13 181.1 0.08 . 1 . . . . . . . . 6276 1 59 . 1 3 18 18 ALA CA C 13 54.47 0.20 . 1 . . . . . . . . 6276 1 60 . 1 3 18 18 ALA CB C 13 17.80 0.31 . 1 . . . . . . . . 6276 1 61 . 1 3 18 18 ALA N N 15 124.2 0.14 . 1 . . . . . . . . 6276 1 62 . 1 3 19 19 GLY H H 1 8.65 0.015 . 1 . . . . . . . . 6276 1 63 . 1 3 19 19 GLY C C 13 176.2 0.08 . 1 . . . . . . . . 6276 1 64 . 1 3 19 19 GLY CA C 13 47.68 0.20 . 1 . . . . . . . . 6276 1 65 . 1 3 19 19 GLY N N 15 107.5 0.14 . 1 . . . . . . . . 6276 1 66 . 1 3 20 20 ASN H H 1 8.28 0.015 . 1 . . . . . . . . 6276 1 67 . 1 3 20 20 ASN C C 13 179.2 0.08 . 1 . . . . . . . . 6276 1 68 . 1 3 20 20 ASN CA C 13 55.52 0.20 . 1 . . . . . . . . 6276 1 69 . 1 3 20 20 ASN CB C 13 36.67 0.31 . 1 . . . . . . . . 6276 1 70 . 1 3 20 20 ASN N N 15 122.9 0.14 . 1 . . . . . . . . 6276 1 71 . 1 3 21 21 LEU H H 1 7.28 0.015 . 1 . . . . . . . . 6276 1 72 . 1 3 21 21 LEU C C 13 178.1 0.08 . 1 . . . . . . . . 6276 1 73 . 1 3 21 21 LEU CA C 13 58.25 0.20 . 1 . . . . . . . . 6276 1 74 . 1 3 21 21 LEU CB C 13 39.53 0.31 . 1 . . . . . . . . 6276 1 75 . 1 3 21 21 LEU N N 15 123.6 0.14 . 1 . . . . . . . . 6276 1 76 . 1 3 22 22 ARG H H 1 8.28 0.015 . 1 . . . . . . . . 6276 1 77 . 1 3 22 22 ARG C C 13 180.8 0.08 . 1 . . . . . . . . 6276 1 78 . 1 3 22 22 ARG CA C 13 60.50 0.20 . 1 . . . . . . . . 6276 1 79 . 1 3 22 22 ARG CB C 13 29.50 0.31 . 1 . . . . . . . . 6276 1 80 . 1 3 22 22 ARG N N 15 121.1 0.14 . 1 . . . . . . . . 6276 1 81 . 1 3 23 23 THR H H 1 8.27 0.015 . 1 . . . . . . . . 6276 1 82 . 1 3 23 23 THR C C 13 175.7 0.08 . 1 . . . . . . . . 6276 1 83 . 1 3 23 23 THR CA C 13 67.26 0.20 . 1 . . . . . . . . 6276 1 84 . 1 3 23 23 THR CB C 13 68.42 0.31 . 1 . . . . . . . . 6276 1 85 . 1 3 23 23 THR N N 15 117.8 0.14 . 1 . . . . . . . . 6276 1 86 . 1 3 24 24 HIS H H 1 7.17 0.015 . 1 . . . . . . . . 6276 1 87 . 1 3 24 24 HIS C C 13 179.6 0.08 . 1 . . . . . . . . 6276 1 88 . 1 3 24 24 HIS CA C 13 59.05 0.20 . 1 . . . . . . . . 6276 1 89 . 1 3 24 24 HIS CB C 13 31.82 0.31 . 1 . . . . . . . . 6276 1 90 . 1 3 24 24 HIS N N 15 118.2 0.14 . 1 . . . . . . . . 6276 1 91 . 1 3 25 25 GLN H H 1 8.95 0.015 . 1 . . . . . . . . 6276 1 92 . 1 3 25 25 GLN C C 13 177.9 0.08 . 1 . . . . . . . . 6276 1 93 . 1 3 25 25 GLN CA C 13 60.42 0.20 . 1 . . . . . . . . 6276 1 94 . 1 3 25 25 GLN CB C 13 27.64 0.31 . 1 . . . . . . . . 6276 1 95 . 1 3 25 25 GLN N N 15 120.8 0.14 . 1 . . . . . . . . 6276 1 96 . 1 3 26 26 LYS H H 1 7.37 0.015 . 1 . . . . . . . . 6276 1 97 . 1 3 26 26 LYS C C 13 180.2 0.08 . 1 . . . . . . . . 6276 1 98 . 1 3 26 26 LYS CA C 13 60.79 0.20 . 1 . . . . . . . . 6276 1 99 . 1 3 26 26 LYS CB C 13 32.43 0.31 . 1 . . . . . . . . 6276 1 100 . 1 3 26 26 LYS N N 15 118.2 0.14 . 1 . . . . . . . . 6276 1 101 . 1 3 27 27 THR H H 1 7.70 0.015 . 1 . . . . . . . . 6276 1 102 . 1 3 27 27 THR C C 13 178.1 0.08 . 1 . . . . . . . . 6276 1 103 . 1 3 27 27 THR CA C 13 64.91 0.20 . 1 . . . . . . . . 6276 1 104 . 1 3 27 27 THR CB C 13 68.88 0.31 . 1 . . . . . . . . 6276 1 105 . 1 3 27 27 THR N N 15 109.8 0.14 . 1 . . . . . . . . 6276 1 106 . 1 3 28 28 HIS H H 1 6.46 0.015 . 1 . . . . . . . . 6276 1 107 . 1 3 28 28 HIS C C 13 176.8 0.08 . 1 . . . . . . . . 6276 1 108 . 1 3 28 28 HIS CA C 13 57.52 0.20 . 1 . . . . . . . . 6276 1 109 . 1 3 28 28 HIS CB C 13 28.20 0.31 . 1 . . . . . . . . 6276 1 110 . 1 3 28 28 HIS N N 15 119.9 0.14 . 1 . . . . . . . . 6276 1 111 . 1 3 29 29 ARG H H 1 7.03 0.015 . 1 . . . . . . . . 6276 1 112 . 1 3 29 29 ARG C C 13 176.5 0.08 . 1 . . . . . . . . 6276 1 113 . 1 3 29 29 ARG CA C 13 56.14 0.20 . 1 . . . . . . . . 6276 1 114 . 1 3 29 29 ARG CB C 13 31.40 0.31 . 1 . . . . . . . . 6276 1 115 . 1 3 29 29 ARG N N 15 114.6 0.14 . 1 . . . . . . . . 6276 1 116 . 1 3 30 30 GLY H H 1 7.57 0.015 . 1 . . . . . . . . 6276 1 117 . 1 3 30 30 GLY C C 13 175.4 0.08 . 1 . . . . . . . . 6276 1 118 . 1 3 30 30 GLY CA C 13 46.79 0.20 . 1 . . . . . . . . 6276 1 119 . 1 3 30 30 GLY N N 15 109.1 0.14 . 1 . . . . . . . . 6276 1 120 . 1 3 31 31 GLU H H 1 7.78 0.015 . 1 . . . . . . . . 6276 1 121 . 1 3 31 31 GLU C C 13 173.8 0.08 . 1 . . . . . . . . 6276 1 122 . 1 3 31 31 GLU CA C 13 55.21 0.20 . 1 . . . . . . . . 6276 1 123 . 1 3 31 31 GLU CB C 13 28.66 0.31 . 1 . . . . . . . . 6276 1 124 . 1 3 31 31 GLU N N 15 123.5 0.14 . 1 . . . . . . . . 6276 1 125 . 1 3 32 32 TYR H H 1 7.51 0.015 . 1 . . . . . . . . 6276 1 126 . 1 3 32 32 TYR C C 13 176.7 0.08 . 1 . . . . . . . . 6276 1 127 . 1 3 32 32 TYR CA C 13 56.64 0.20 . 1 . . . . . . . . 6276 1 128 . 1 3 32 32 TYR CB C 13 38.49 0.31 . 1 . . . . . . . . 6276 1 129 . 1 3 32 32 TYR N N 15 124.8 0.14 . 1 . . . . . . . . 6276 1 130 . 1 3 33 33 THR H H 1 8.24 0.015 . 1 . . . . . . . . 6276 1 131 . 1 3 33 33 THR C C 13 174.7 0.08 . 1 . . . . . . . . 6276 1 132 . 1 3 33 33 THR CA C 13 63.22 0.20 . 1 . . . . . . . . 6276 1 133 . 1 3 33 33 THR CB C 13 69.34 0.31 . 1 . . . . . . . . 6276 1 134 . 1 3 33 33 THR N N 15 112.2 0.14 . 1 . . . . . . . . 6276 1 135 . 1 3 34 34 PHE H H 1 8.09 0.015 . 1 . . . . . . . . 6276 1 136 . 1 3 34 34 PHE C C 13 175.1 0.08 . 1 . . . . . . . . 6276 1 137 . 1 3 34 34 PHE CA C 13 58.30 0.20 . 1 . . . . . . . . 6276 1 138 . 1 3 34 34 PHE CB C 13 38.42 0.31 . 1 . . . . . . . . 6276 1 139 . 1 3 34 34 PHE N N 15 122.9 0.14 . 1 . . . . . . . . 6276 1 140 . 1 3 35 35 VAL H H 1 8.24 0.015 . 1 . . . . . . . . 6276 1 141 . 1 3 35 35 VAL C C 13 175.4 0.08 . 1 . . . . . . . . 6276 1 142 . 1 3 35 35 VAL CA C 13 62.04 0.20 . 1 . . . . . . . . 6276 1 143 . 1 3 35 35 VAL CB C 13 33.94 0.31 . 1 . . . . . . . . 6276 1 144 . 1 3 35 35 VAL N N 15 125.7 0.14 . 1 . . . . . . . . 6276 1 145 . 1 3 36 36 CYS H H 1 9.06 0.015 . 1 . . . . . . . . 6276 1 146 . 1 3 36 36 CYS C C 13 176.4 0.08 . 1 . . . . . . . . 6276 1 147 . 1 3 36 36 CYS CA C 13 61.44 0.20 . 1 . . . . . . . . 6276 1 148 . 1 3 36 36 CYS CB C 13 30.23 0.31 . 1 . . . . . . . . 6276 1 149 . 1 3 36 36 CYS N N 15 129.7 0.14 . 1 . . . . . . . . 6276 1 150 . 1 3 37 37 ASN H H 1 8.53 0.015 . 1 . . . . . . . . 6276 1 151 . 1 3 37 37 ASN C C 13 176.1 0.08 . 1 . . . . . . . . 6276 1 152 . 1 3 37 37 ASN CA C 13 53.31 0.20 . 1 . . . . . . . . 6276 1 153 . 1 3 37 37 ASN CB C 13 39.07 0.31 . 1 . . . . . . . . 6276 1 154 . 1 3 37 37 ASN N N 15 127.4 0.14 . 1 . . . . . . . . 6276 1 155 . 1 3 38 38 GLN H H 1 8.82 0.015 . 1 . . . . . . . . 6276 1 156 . 1 3 38 38 GLN C C 13 177.3 0.08 . 1 . . . . . . . . 6276 1 157 . 1 3 38 38 GLN CA C 13 56.66 0.20 . 1 . . . . . . . . 6276 1 158 . 1 3 38 38 GLN CB C 13 27.64 0.31 . 1 . . . . . . . . 6276 1 159 . 1 3 38 38 GLN N N 15 124.5 0.14 . 1 . . . . . . . . 6276 1 160 . 1 3 39 39 GLU H H 1 8.86 0.015 . 1 . . . . . . . . 6276 1 161 . 1 3 39 39 GLU C C 13 178.1 0.08 . 1 . . . . . . . . 6276 1 162 . 1 3 39 39 GLU CA C 13 58.51 0.20 . 1 . . . . . . . . 6276 1 163 . 1 3 39 39 GLU CB C 13 28.99 0.31 . 1 . . . . . . . . 6276 1 164 . 1 3 39 39 GLU N N 15 129.7 0.14 . 1 . . . . . . . . 6276 1 165 . 1 3 40 40 GLY H H 1 8.88 0.015 . 5 . . . . . . . . 6276 1 166 . 1 3 40 40 GLY C C 13 174.0 0.08 . 5 . . . . . . . . 6276 1 167 . 1 3 40 40 GLY CA C 13 45.69 0.20 . 5 . . . . . . . . 6276 1 168 . 1 3 40 40 GLY N N 15 114.1 0.14 . 5 . . . . . . . . 6276 1 169 . 1 3 41 41 CYS H H 1 7.81 0.015 . 1 . . . . . . . . 6276 1 170 . 1 3 41 41 CYS C C 13 176.2 0.08 . 1 . . . . . . . . 6276 1 171 . 1 3 41 41 CYS CA C 13 60.56 0.20 . 1 . . . . . . . . 6276 1 172 . 1 3 41 41 CYS CB C 13 29.35 0.31 . 1 . . . . . . . . 6276 1 173 . 1 3 41 41 CYS N N 15 122.9 0.14 . 1 . . . . . . . . 6276 1 174 . 1 3 42 42 GLY H H 1 7.99 0.015 . 1 . . . . . . . . 6276 1 175 . 1 3 42 42 GLY C C 13 174.8 0.08 . 1 . . . . . . . . 6276 1 176 . 1 3 42 42 GLY CA C 13 45.95 0.20 . 1 . . . . . . . . 6276 1 177 . 1 3 42 42 GLY N N 15 106.2 0.14 . 1 . . . . . . . . 6276 1 178 . 1 3 43 43 LYS H H 1 8.17 0.015 . 1 . . . . . . . . 6276 1 179 . 1 3 43 43 LYS C C 13 173.9 0.08 . 1 . . . . . . . . 6276 1 180 . 1 3 43 43 LYS CA C 13 58.38 0.20 . 1 . . . . . . . . 6276 1 181 . 1 3 43 43 LYS CB C 13 33.17 0.31 . 1 . . . . . . . . 6276 1 182 . 1 3 43 43 LYS N N 15 123.3 0.14 . 1 . . . . . . . . 6276 1 183 . 1 3 44 44 ALA H H 1 7.63 0.015 . 1 . . . . . . . . 6276 1 184 . 1 3 44 44 ALA C C 13 176.6 0.08 . 1 . . . . . . . . 6276 1 185 . 1 3 44 44 ALA CA C 13 50.57 0.20 . 1 . . . . . . . . 6276 1 186 . 1 3 44 44 ALA CB C 13 22.81 0.31 . 1 . . . . . . . . 6276 1 187 . 1 3 44 44 ALA N N 15 123.9 0.14 . 1 . . . . . . . . 6276 1 188 . 1 3 45 45 PHE H H 1 9.04 0.015 . 1 . . . . . . . . 6276 1 189 . 1 3 45 45 PHE C C 13 176.4 0.08 . 1 . . . . . . . . 6276 1 190 . 1 3 45 45 PHE CA C 13 57.94 0.20 . 1 . . . . . . . . 6276 1 191 . 1 3 45 45 PHE CB C 13 43.43 0.31 . 1 . . . . . . . . 6276 1 192 . 1 3 45 45 PHE N N 15 117.8 0.14 . 1 . . . . . . . . 6276 1 193 . 1 3 46 46 LEU H H 1 9.32 0.015 . 1 . . . . . . . . 6276 1 194 . 1 3 46 46 LEU C C 13 178.6 0.08 . 1 . . . . . . . . 6276 1 195 . 1 3 46 46 LEU CA C 13 57.20 0.20 . 1 . . . . . . . . 6276 1 196 . 1 3 46 46 LEU CB C 13 44.17 0.31 . 1 . . . . . . . . 6276 1 197 . 1 3 46 46 LEU N N 15 120.7 0.14 . 1 . . . . . . . . 6276 1 198 . 1 3 47 47 THR H H 1 7.31 0.015 . 1 . . . . . . . . 6276 1 199 . 1 3 47 47 THR C C 13 173.4 0.08 . 1 . . . . . . . . 6276 1 200 . 1 3 47 47 THR CA C 13 58.95 0.20 . 1 . . . . . . . . 6276 1 201 . 1 3 47 47 THR CB C 13 72.32 0.31 . 1 . . . . . . . . 6276 1 202 . 1 3 47 47 THR N N 15 104.5 0.14 . 1 . . . . . . . . 6276 1 203 . 1 3 48 48 SER H H 1 8.19 0.015 . 1 . . . . . . . . 6276 1 204 . 1 3 48 48 SER C C 13 178.3 0.08 . 1 . . . . . . . . 6276 1 205 . 1 3 48 48 SER CA C 13 60.70 0.20 . 1 . . . . . . . . 6276 1 206 . 1 3 48 48 SER N N 15 117.5 0.14 . 1 . . . . . . . . 6276 1 207 . 1 3 49 49 TYR H H 1 8.80 0.015 . 1 . . . . . . . . 6276 1 208 . 1 3 49 49 TYR C C 13 176.8 0.08 . 1 . . . . . . . . 6276 1 209 . 1 3 49 49 TYR CA C 13 62.36 0.20 . 1 . . . . . . . . 6276 1 210 . 1 3 49 49 TYR N N 15 125.9 0.14 . 1 . . . . . . . . 6276 1 211 . 1 3 50 50 SER H H 1 7.80 0.015 . 1 . . . . . . . . 6276 1 212 . 1 3 50 50 SER C C 13 177.3 0.08 . 1 . . . . . . . . 6276 1 213 . 1 3 50 50 SER CA C 13 62.60 0.20 . 1 . . . . . . . . 6276 1 214 . 1 3 50 50 SER N N 15 114.4 0.14 . 1 . . . . . . . . 6276 1 215 . 1 3 51 51 LEU H H 1 7.03 0.015 . 1 . . . . . . . . 6276 1 216 . 1 3 51 51 LEU C C 13 177.1 0.08 . 1 . . . . . . . . 6276 1 217 . 1 3 51 51 LEU CA C 13 57.95 0.20 . 1 . . . . . . . . 6276 1 218 . 1 3 51 51 LEU CB C 13 40.43 0.31 . 1 . . . . . . . . 6276 1 219 . 1 3 51 51 LEU N N 15 121.4 0.14 . 1 . . . . . . . . 6276 1 220 . 1 3 52 52 ARG H H 1 8.04 0.015 . 1 . . . . . . . . 6276 1 221 . 1 3 52 52 ARG C C 13 180.0 0.08 . 1 . . . . . . . . 6276 1 222 . 1 3 52 52 ARG CA C 13 60.35 0.20 . 1 . . . . . . . . 6276 1 223 . 1 3 52 52 ARG N N 15 120.1 0.14 . 1 . . . . . . . . 6276 1 224 . 1 3 53 53 ILE H H 1 7.60 0.015 . 1 . . . . . . . . 6276 1 225 . 1 3 53 53 ILE C C 13 178.9 0.08 . 1 . . . . . . . . 6276 1 226 . 1 3 53 53 ILE CA C 13 63.69 0.20 . 1 . . . . . . . . 6276 1 227 . 1 3 53 53 ILE N N 15 116.0 0.14 . 1 . . . . . . . . 6276 1 228 . 1 3 54 54 HIS H H 1 7.23 0.015 . 1 . . . . . . . . 6276 1 229 . 1 3 54 54 HIS C C 13 178.4 0.08 . 1 . . . . . . . . 6276 1 230 . 1 3 54 54 HIS CA C 13 59.65 0.20 . 1 . . . . . . . . 6276 1 231 . 1 3 54 54 HIS N N 15 121.6 0.14 . 1 . . . . . . . . 6276 1 232 . 1 3 55 55 VAL H H 1 8.81 0.015 . 1 . . . . . . . . 6276 1 233 . 1 3 55 55 VAL C C 13 179.1 0.08 . 1 . . . . . . . . 6276 1 234 . 1 3 55 55 VAL CA C 13 67.52 0.20 . 1 . . . . . . . . 6276 1 235 . 1 3 55 55 VAL N N 15 120.1 0.14 . 1 . . . . . . . . 6276 1 236 . 1 3 56 56 ARG H H 1 7.13 0.015 . 1 . . . . . . . . 6276 1 237 . 1 3 56 56 ARG C C 13 180.6 0.08 . 1 . . . . . . . . 6276 1 238 . 1 3 56 56 ARG CA C 13 59.25 0.20 . 1 . . . . . . . . 6276 1 239 . 1 3 56 56 ARG CB C 13 28.94 0.31 . 1 . . . . . . . . 6276 1 240 . 1 3 56 56 ARG N N 15 116.3 0.14 . 1 . . . . . . . . 6276 1 241 . 1 3 57 57 VAL H H 1 8.30 0.015 . 1 . . . . . . . . 6276 1 242 . 1 3 57 57 VAL C C 13 179.3 0.08 . 1 . . . . . . . . 6276 1 243 . 1 3 57 57 VAL CA C 13 66.05 0.20 . 1 . . . . . . . . 6276 1 244 . 1 3 57 57 VAL N N 15 123.9 0.14 . 1 . . . . . . . . 6276 1 245 . 1 3 58 58 HIS H H 1 7.15 0.015 . 1 . . . . . . . . 6276 1 246 . 1 3 58 58 HIS C C 13 178.2 0.08 . 1 . . . . . . . . 6276 1 247 . 1 3 58 58 HIS CA C 13 57.55 0.20 . 1 . . . . . . . . 6276 1 248 . 1 3 58 58 HIS CB C 13 28.57 0.31 . 1 . . . . . . . . 6276 1 249 . 1 3 58 58 HIS N N 15 115.7 0.14 . 1 . . . . . . . . 6276 1 250 . 1 3 59 59 THR H H 1 8.15 0.015 . 1 . . . . . . . . 6276 1 251 . 1 3 59 59 THR C C 13 176.4 0.08 . 1 . . . . . . . . 6276 1 252 . 1 3 59 59 THR CA C 13 62.99 0.20 . 1 . . . . . . . . 6276 1 253 . 1 3 59 59 THR CB C 13 70.05 0.31 . 1 . . . . . . . . 6276 1 254 . 1 3 59 59 THR N N 15 108.5 0.14 . 1 . . . . . . . . 6276 1 255 . 1 3 60 60 LYS H H 1 7.98 0.015 . 1 . . . . . . . . 6276 1 256 . 1 3 60 60 LYS C C 13 175.8 0.08 . 1 . . . . . . . . 6276 1 257 . 1 3 60 60 LYS CA C 13 57.45 0.20 . 1 . . . . . . . . 6276 1 258 . 1 3 60 60 LYS CB C 13 28.57 0.31 . 1 . . . . . . . . 6276 1 259 . 1 3 60 60 LYS N N 15 116.0 0.14 . 1 . . . . . . . . 6276 1 260 . 1 3 61 61 GLU H H 1 7.48 0.015 . 1 . . . . . . . . 6276 1 261 . 1 3 61 61 GLU C C 13 176.7 0.08 . 1 . . . . . . . . 6276 1 262 . 1 3 61 61 GLU CA C 13 57.38 0.20 . 1 . . . . . . . . 6276 1 263 . 1 3 61 61 GLU CB C 13 30.94 0.31 . 1 . . . . . . . . 6276 1 264 . 1 3 61 61 GLU N N 15 119.9 0.14 . 1 . . . . . . . . 6276 1 265 . 1 3 62 62 LYS H H 1 8.43 0.015 . 1 . . . . . . . . 6276 1 266 . 1 3 62 62 LYS CA C 13 53.65 0.20 . 1 . . . . . . . . 6276 1 267 . 1 3 62 62 LYS CB C 13 33.96 0.31 . 1 . . . . . . . . 6276 1 268 . 1 3 62 62 LYS N N 15 124.3 0.14 . 1 . . . . . . . . 6276 1 269 . 1 3 63 63 PRO C C 13 177.0 0.08 . 5 . . . . . . . . 6276 1 270 . 1 3 63 63 PRO CA C 13 63.62 0.20 . 5 . . . . . . . . 6276 1 271 . 1 3 64 64 PHE H H 1 7.72 0.015 . 1 . . . . . . . . 6276 1 272 . 1 3 64 64 PHE C C 13 175.1 0.08 . 1 . . . . . . . . 6276 1 273 . 1 3 64 64 PHE CA C 13 57.52 0.20 . 1 . . . . . . . . 6276 1 274 . 1 3 64 64 PHE CB C 13 38.39 0.31 . 1 . . . . . . . . 6276 1 275 . 1 3 64 64 PHE N N 15 117.3 0.14 . 1 . . . . . . . . 6276 1 276 . 1 3 65 65 GLU H H 1 8.46 0.015 . 1 . . . . . . . . 6276 1 277 . 1 3 65 65 GLU C C 13 175.7 0.08 . 1 . . . . . . . . 6276 1 278 . 1 3 65 65 GLU CA C 13 55.57 0.20 . 1 . . . . . . . . 6276 1 279 . 1 3 65 65 GLU CB C 13 31.63 0.31 . 1 . . . . . . . . 6276 1 280 . 1 3 65 65 GLU N N 15 125.2 0.14 . 1 . . . . . . . . 6276 1 281 . 1 3 66 66 CYS H H 1 8.67 0.015 . 1 . . . . . . . . 6276 1 282 . 1 3 66 66 CYS C C 13 175.7 0.08 . 1 . . . . . . . . 6276 1 283 . 1 3 66 66 CYS CA C 13 62.13 0.20 . 1 . . . . . . . . 6276 1 284 . 1 3 66 66 CYS CB C 13 30.05 0.31 . 1 . . . . . . . . 6276 1 285 . 1 3 66 66 CYS N N 15 126.2 0.14 . 1 . . . . . . . . 6276 1 286 . 1 3 67 67 ASP H H 1 8.33 0.015 . 1 . . . . . . . . 6276 1 287 . 1 3 67 67 ASP C C 13 177.0 0.08 . 1 . . . . . . . . 6276 1 288 . 1 3 67 67 ASP CA C 13 53.99 0.20 . 1 . . . . . . . . 6276 1 289 . 1 3 67 67 ASP CB C 13 40.60 0.31 . 1 . . . . . . . . 6276 1 290 . 1 3 67 67 ASP N N 15 127.9 0.14 . 1 . . . . . . . . 6276 1 291 . 1 3 68 68 VAL H H 1 8.40 0.015 . 1 . . . . . . . . 6276 1 292 . 1 3 68 68 VAL C C 13 177.4 0.08 . 1 . . . . . . . . 6276 1 293 . 1 3 68 68 VAL CA C 13 64.19 0.20 . 1 . . . . . . . . 6276 1 294 . 1 3 68 68 VAL CB C 13 31.15 0.31 . 1 . . . . . . . . 6276 1 295 . 1 3 68 68 VAL N N 15 126.1 0.14 . 1 . . . . . . . . 6276 1 296 . 1 3 69 69 GLN H H 1 8.68 0.015 . 1 . . . . . . . . 6276 1 297 . 1 3 69 69 GLN C C 13 177.5 0.08 . 1 . . . . . . . . 6276 1 298 . 1 3 69 69 GLN CA C 13 58.16 0.20 . 1 . . . . . . . . 6276 1 299 . 1 3 69 69 GLN CB C 13 27.93 0.31 . 1 . . . . . . . . 6276 1 300 . 1 3 69 69 GLN N N 15 130.3 0.14 . 1 . . . . . . . . 6276 1 301 . 1 3 70 70 GLY H H 1 9.05 0.015 . 1 . . . . . . . . 6276 1 302 . 1 3 70 70 GLY C C 13 174.6 0.08 . 1 . . . . . . . . 6276 1 303 . 1 3 70 70 GLY CA C 13 45.59 0.20 . 1 . . . . . . . . 6276 1 304 . 1 3 70 70 GLY N N 15 115.2 0.14 . 1 . . . . . . . . 6276 1 305 . 1 3 71 71 CYS H H 1 8.06 0.015 . 5 . . . . . . . . 6276 1 306 . 1 3 71 71 CYS CA C 13 56.48 0.20 . 5 . . . . . . . . 6276 1 307 . 1 3 71 71 CYS CB C 13 30.44 0.31 . 5 . . . . . . . . 6276 1 308 . 1 3 71 71 CYS N N 15 120.8 0.14 . 5 . . . . . . . . 6276 1 309 . 1 3 72 72 GLU H H 1 8.61 0.015 . 1 . . . . . . . . 6276 1 310 . 1 3 72 72 GLU C C 13 176.9 0.08 . 1 . . . . . . . . 6276 1 311 . 1 3 72 72 GLU CA C 13 56.26 0.20 . 1 . . . . . . . . 6276 1 312 . 1 3 72 72 GLU CB C 13 29.95 0.31 . 1 . . . . . . . . 6276 1 313 . 1 3 72 72 GLU N N 15 120.6 0.14 . 1 . . . . . . . . 6276 1 314 . 1 3 73 73 LYS H H 1 7.89 0.015 . 1 . . . . . . . . 6276 1 315 . 1 3 73 73 LYS C C 13 174.9 0.08 . 1 . . . . . . . . 6276 1 316 . 1 3 73 73 LYS CA C 13 57.07 0.20 . 1 . . . . . . . . 6276 1 317 . 1 3 73 73 LYS CB C 13 32.81 0.31 . 1 . . . . . . . . 6276 1 318 . 1 3 73 73 LYS N N 15 121.4 0.14 . 1 . . . . . . . . 6276 1 319 . 1 3 74 74 ALA H H 1 7.38 0.015 . 1 . . . . . . . . 6276 1 320 . 1 3 74 74 ALA C C 13 175.8 0.08 . 1 . . . . . . . . 6276 1 321 . 1 3 74 74 ALA CA C 13 51.00 0.20 . 1 . . . . . . . . 6276 1 322 . 1 3 74 74 ALA CB C 13 22.85 0.31 . 1 . . . . . . . . 6276 1 323 . 1 3 74 74 ALA N N 15 122.1 0.14 . 1 . . . . . . . . 6276 1 324 . 1 3 75 75 PHE H H 1 8.65 0.015 . 1 . . . . . . . . 6276 1 325 . 1 3 75 75 PHE C C 13 175.6 0.08 . 1 . . . . . . . . 6276 1 326 . 1 3 75 75 PHE CA C 13 57.65 0.20 . 1 . . . . . . . . 6276 1 327 . 1 3 75 75 PHE CB C 13 44.55 0.31 . 1 . . . . . . . . 6276 1 328 . 1 3 75 75 PHE N N 15 115.9 0.14 . 1 . . . . . . . . 6276 1 329 . 1 3 76 76 ASN H H 1 8.90 0.015 . 1 . . . . . . . . 6276 1 330 . 1 3 76 76 ASN C C 13 175.1 0.08 . 1 . . . . . . . . 6276 1 331 . 1 3 76 76 ASN CA C 13 54.21 0.20 . 1 . . . . . . . . 6276 1 332 . 1 3 76 76 ASN CB C 13 39.52 0.31 . 1 . . . . . . . . 6276 1 333 . 1 3 76 76 ASN N N 15 118.0 0.14 . 1 . . . . . . . . 6276 1 334 . 1 3 77 77 THR H H 1 7.32 0.015 . 1 . . . . . . . . 6276 1 335 . 1 3 77 77 THR C C 13 174.2 0.08 . 1 . . . . . . . . 6276 1 336 . 1 3 77 77 THR CA C 13 59.61 0.20 . 1 . . . . . . . . 6276 1 337 . 1 3 77 77 THR CB C 13 73.58 0.31 . 1 . . . . . . . . 6276 1 338 . 1 3 77 77 THR N N 15 104.7 0.14 . 1 . . . . . . . . 6276 1 339 . 1 3 78 78 LEU H H 1 7.58 0.015 . 1 . . . . . . . . 6276 1 340 . 1 3 78 78 LEU C C 13 179.3 0.08 . 1 . . . . . . . . 6276 1 341 . 1 3 78 78 LEU CA C 13 57.35 0.20 . 1 . . . . . . . . 6276 1 342 . 1 3 78 78 LEU CB C 13 40.70 0.31 . 1 . . . . . . . . 6276 1 343 . 1 3 78 78 LEU N N 15 124.5 0.14 . 1 . . . . . . . . 6276 1 344 . 1 3 79 79 TYR H H 1 8.32 0.015 . 1 . . . . . . . . 6276 1 345 . 1 3 79 79 TYR C C 13 177.9 0.08 . 1 . . . . . . . . 6276 1 346 . 1 3 79 79 TYR CA C 13 62.09 0.20 . 1 . . . . . . . . 6276 1 347 . 1 3 79 79 TYR CB C 13 38.21 0.31 . 1 . . . . . . . . 6276 1 348 . 1 3 79 79 TYR N N 15 117.9 0.14 . 1 . . . . . . . . 6276 1 349 . 1 3 80 80 ARG H H 1 7.22 0.015 . 1 . . . . . . . . 6276 1 350 . 1 3 80 80 ARG C C 13 179.4 0.08 . 1 . . . . . . . . 6276 1 351 . 1 3 80 80 ARG CA C 13 58.51 0.20 . 1 . . . . . . . . 6276 1 352 . 1 3 80 80 ARG N N 15 116.0 0.14 . 1 . . . . . . . . 6276 1 353 . 1 3 81 81 LEU H H 1 7.11 0.015 . 1 . . . . . . . . 6276 1 354 . 1 3 81 81 LEU C C 13 178.1 0.08 . 1 . . . . . . . . 6276 1 355 . 1 3 81 81 LEU CA C 13 58.44 0.20 . 1 . . . . . . . . 6276 1 356 . 1 3 81 81 LEU N N 15 121.8 0.14 . 1 . . . . . . . . 6276 1 357 . 1 3 82 82 LYS H H 1 8.49 0.015 . 1 . . . . . . . . 6276 1 358 . 1 3 82 82 LYS C C 13 180.3 0.08 . 1 . . . . . . . . 6276 1 359 . 1 3 82 82 LYS CA C 13 59.88 0.20 . 1 . . . . . . . . 6276 1 360 . 1 3 82 82 LYS CB C 13 31.49 0.31 . 1 . . . . . . . . 6276 1 361 . 1 3 82 82 LYS N N 15 120.3 0.14 . 1 . . . . . . . . 6276 1 362 . 1 3 83 83 ALA H H 1 8.37 0.015 . 1 . . . . . . . . 6276 1 363 . 1 3 83 83 ALA C C 13 179.4 0.08 . 1 . . . . . . . . 6276 1 364 . 1 3 83 83 ALA CA C 13 55.81 0.20 . 1 . . . . . . . . 6276 1 365 . 1 3 83 83 ALA N N 15 122.7 0.14 . 1 . . . . . . . . 6276 1 366 . 1 3 84 84 HIS H H 1 7.13 0.015 . 1 . . . . . . . . 6276 1 367 . 1 3 84 84 HIS C C 13 177.7 0.08 . 1 . . . . . . . . 6276 1 368 . 1 3 84 84 HIS CA C 13 59.53 0.20 . 1 . . . . . . . . 6276 1 369 . 1 3 84 84 HIS CB C 13 28.87 0.31 . 1 . . . . . . . . 6276 1 370 . 1 3 84 84 HIS N N 15 117.0 0.14 . 1 . . . . . . . . 6276 1 371 . 1 3 85 85 GLN H H 1 8.48 0.015 . 1 . . . . . . . . 6276 1 372 . 1 3 85 85 GLN C C 13 178.4 0.08 . 1 . . . . . . . . 6276 1 373 . 1 3 85 85 GLN CA C 13 59.67 0.20 . 1 . . . . . . . . 6276 1 374 . 1 3 85 85 GLN N N 15 115.8 0.14 . 1 . . . . . . . . 6276 1 375 . 1 3 86 86 ARG H H 1 7.51 0.015 . 1 . . . . . . . . 6276 1 376 . 1 3 86 86 ARG C C 13 178.9 0.08 . 1 . . . . . . . . 6276 1 377 . 1 3 86 86 ARG CA C 13 59.52 0.20 . 1 . . . . . . . . 6276 1 378 . 1 3 86 86 ARG N N 15 120.1 0.14 . 1 . . . . . . . . 6276 1 379 . 1 3 87 87 LEU H H 1 7.79 0.015 . 1 . . . . . . . . 6276 1 380 . 1 3 87 87 LEU C C 13 180.2 0.08 . 1 . . . . . . . . 6276 1 381 . 1 3 87 87 LEU CA C 13 57.11 0.20 . 1 . . . . . . . . 6276 1 382 . 1 3 87 87 LEU CB C 13 40.80 0.31 . 1 . . . . . . . . 6276 1 383 . 1 3 87 87 LEU N N 15 115.3 0.14 . 1 . . . . . . . . 6276 1 384 . 1 3 88 88 HIS H H 1 7.20 0.015 . 1 . . . . . . . . 6276 1 385 . 1 3 88 88 HIS C C 13 177.6 0.08 . 1 . . . . . . . . 6276 1 386 . 1 3 88 88 HIS CA C 13 56.62 0.20 . 1 . . . . . . . . 6276 1 387 . 1 3 88 88 HIS CB C 13 28.97 0.31 . 1 . . . . . . . . 6276 1 388 . 1 3 88 88 HIS N N 15 114.8 0.14 . 1 . . . . . . . . 6276 1 389 . 1 3 89 89 THR H H 1 8.19 0.015 . 1 . . . . . . . . 6276 1 390 . 1 3 89 89 THR C C 13 177.0 0.08 . 1 . . . . . . . . 6276 1 391 . 1 3 89 89 THR CA C 13 62.48 0.20 . 1 . . . . . . . . 6276 1 392 . 1 3 89 89 THR CB C 13 70.39 0.31 . 1 . . . . . . . . 6276 1 393 . 1 3 89 89 THR N N 15 108.8 0.14 . 1 . . . . . . . . 6276 1 394 . 1 3 90 90 GLY H H 1 7.80 0.015 . 1 . . . . . . . . 6276 1 395 . 1 3 90 90 GLY C C 13 175.3 0.08 . 1 . . . . . . . . 6276 1 396 . 1 3 90 90 GLY CA C 13 45.72 0.20 . 1 . . . . . . . . 6276 1 397 . 1 3 90 90 GLY N N 15 110.1 0.14 . 1 . . . . . . . . 6276 1 398 . 1 3 91 91 LYS H H 1 7.56 0.015 . 1 . . . . . . . . 6276 1 399 . 1 3 91 91 LYS C C 13 176.3 0.08 . 1 . . . . . . . . 6276 1 400 . 1 3 91 91 LYS CA C 13 54.44 0.20 . 1 . . . . . . . . 6276 1 401 . 1 3 91 91 LYS CB C 13 29.58 0.31 . 1 . . . . . . . . 6276 1 402 . 1 3 91 91 LYS N N 15 124.5 0.14 . 1 . . . . . . . . 6276 1 403 . 1 3 92 92 THR H H 1 7.27 0.015 . 1 . . . . . . . . 6276 1 404 . 1 3 92 92 THR C C 13 174.0 0.08 . 1 . . . . . . . . 6276 1 405 . 1 3 92 92 THR CA C 13 60.60 0.20 . 1 . . . . . . . . 6276 1 406 . 1 3 92 92 THR CB C 13 70.03 0.31 . 1 . . . . . . . . 6276 1 407 . 1 3 92 92 THR N N 15 108.4 0.14 . 1 . . . . . . . . 6276 1 408 . 1 3 93 93 PHE H H 1 8.82 0.015 . 1 . . . . . . . . 6276 1 409 . 1 3 93 93 PHE C C 13 175.7 0.08 . 1 . . . . . . . . 6276 1 410 . 1 3 93 93 PHE CA C 13 57.50 0.20 . 1 . . . . . . . . 6276 1 411 . 1 3 93 93 PHE CB C 13 39.12 0.31 . 1 . . . . . . . . 6276 1 412 . 1 3 93 93 PHE N N 15 119.1 0.14 . 1 . . . . . . . . 6276 1 413 . 1 3 94 94 ASN H H 1 8.74 0.015 . 1 . . . . . . . . 6276 1 414 . 1 3 94 94 ASN C C 13 174.6 0.08 . 1 . . . . . . . . 6276 1 415 . 1 3 94 94 ASN CA C 13 53.20 0.20 . 1 . . . . . . . . 6276 1 416 . 1 3 94 94 ASN CB C 13 38.74 0.31 . 1 . . . . . . . . 6276 1 417 . 1 3 94 94 ASN N N 15 125.4 0.14 . 1 . . . . . . . . 6276 1 418 . 1 3 95 95 CYS H H 1 8.39 0.015 . 1 . . . . . . . . 6276 1 419 . 1 3 95 95 CYS C C 13 176.8 0.08 . 1 . . . . . . . . 6276 1 420 . 1 3 95 95 CYS CA C 13 61.83 0.20 . 1 . . . . . . . . 6276 1 421 . 1 3 95 95 CYS CB C 13 30.51 0.31 . 1 . . . . . . . . 6276 1 422 . 1 3 95 95 CYS N N 15 124.8 0.14 . 1 . . . . . . . . 6276 1 423 . 1 3 96 96 GLU H H 1 8.76 0.015 . 1 . . . . . . . . 6276 1 424 . 1 3 96 96 GLU C C 13 177.3 0.08 . 1 . . . . . . . . 6276 1 425 . 1 3 96 96 GLU CA C 13 56.27 0.20 . 1 . . . . . . . . 6276 1 426 . 1 3 96 96 GLU CB C 13 30.35 0.31 . 1 . . . . . . . . 6276 1 427 . 1 3 96 96 GLU N N 15 127.3 0.14 . 1 . . . . . . . . 6276 1 428 . 1 3 97 97 SER H H 1 8.94 0.015 . 1 . . . . . . . . 6276 1 429 . 1 3 97 97 SER C C 13 176.0 0.08 . 1 . . . . . . . . 6276 1 430 . 1 3 97 97 SER CA C 13 60.42 0.20 . 1 . . . . . . . . 6276 1 431 . 1 3 97 97 SER CB C 13 63.07 0.31 . 1 . . . . . . . . 6276 1 432 . 1 3 97 97 SER N N 15 121.7 0.14 . 1 . . . . . . . . 6276 1 433 . 1 3 98 98 GLN H H 1 8.61 0.015 . 1 . . . . . . . . 6276 1 434 . 1 3 98 98 GLN C C 13 178.2 0.08 . 1 . . . . . . . . 6276 1 435 . 1 3 98 98 GLN CA C 13 58.19 0.20 . 1 . . . . . . . . 6276 1 436 . 1 3 98 98 GLN CB C 13 27.91 0.31 . 1 . . . . . . . . 6276 1 437 . 1 3 98 98 GLN N N 15 127.6 0.14 . 1 . . . . . . . . 6276 1 438 . 1 3 99 99 GLY H H 1 9.00 0.015 . 5 . . . . . . . . 6276 1 439 . 1 3 99 99 GLY C C 13 173.6 0.08 . 5 . . . . . . . . 6276 1 440 . 1 3 99 99 GLY CA C 13 45.60 0.20 . 5 . . . . . . . . 6276 1 441 . 1 3 99 99 GLY N N 15 115.0 0.14 . 5 . . . . . . . . 6276 1 442 . 1 3 100 100 CYS H H 1 8.00 0.015 . 1 . . . . . . . . 6276 1 443 . 1 3 100 100 CYS C C 13 175.6 0.08 . 1 . . . . . . . . 6276 1 444 . 1 3 100 100 CYS CA C 13 60.20 0.20 . 1 . . . . . . . . 6276 1 445 . 1 3 100 100 CYS CB C 13 62.07 0.31 . 1 . . . . . . . . 6276 1 446 . 1 3 100 100 CYS N N 15 124.5 0.14 . 1 . . . . . . . . 6276 1 447 . 1 3 101 101 SER H H 1 8.69 0.015 . 1 . . . . . . . . 6276 1 448 . 1 3 101 101 SER CA C 13 57.86 0.20 . 1 . . . . . . . . 6276 1 449 . 1 3 101 101 SER CB C 13 64.08 0.31 . 1 . . . . . . . . 6276 1 450 . 1 3 101 101 SER N N 15 120.3 0.14 . 1 . . . . . . . . 6276 1 451 . 1 3 102 102 LYS C C 13 175.4 0.08 . 1 . . . . . . . . 6276 1 452 . 1 3 102 102 LYS CA C 13 56.87 0.20 . 1 . . . . . . . . 6276 1 453 . 1 3 102 102 LYS CB C 13 32.42 0.31 . 1 . . . . . . . . 6276 1 454 . 1 3 103 103 TYR H H 1 6.97 0.015 . 1 . . . . . . . . 6276 1 455 . 1 3 103 103 TYR C C 13 174.0 0.08 . 1 . . . . . . . . 6276 1 456 . 1 3 103 103 TYR CA C 13 55.48 0.20 . 1 . . . . . . . . 6276 1 457 . 1 3 103 103 TYR CB C 13 41.46 0.31 . 1 . . . . . . . . 6276 1 458 . 1 3 103 103 TYR N N 15 116.7 0.14 . 1 . . . . . . . . 6276 1 459 . 1 3 104 104 PHE H H 1 8.79 0.015 . 1 . . . . . . . . 6276 1 460 . 1 3 104 104 PHE C C 13 176.5 0.08 . 1 . . . . . . . . 6276 1 461 . 1 3 104 104 PHE CA C 13 57.93 0.20 . 1 . . . . . . . . 6276 1 462 . 1 3 104 104 PHE CB C 13 44.55 0.31 . 1 . . . . . . . . 6276 1 463 . 1 3 104 104 PHE N N 15 115.6 0.14 . 1 . . . . . . . . 6276 1 464 . 1 3 105 105 THR H H 1 9.97 0.015 . 1 . . . . . . . . 6276 1 465 . 1 3 105 105 THR C C 13 174.2 0.08 . 1 . . . . . . . . 6276 1 466 . 1 3 105 105 THR CA C 13 62.97 0.20 . 1 . . . . . . . . 6276 1 467 . 1 3 105 105 THR N N 15 110.8 0.14 . 1 . . . . . . . . 6276 1 468 . 1 3 106 106 THR H H 1 7.38 0.015 . 1 . . . . . . . . 6276 1 469 . 1 3 106 106 THR C C 13 174.1 0.08 . 1 . . . . . . . . 6276 1 470 . 1 3 106 106 THR CA C 13 60.61 0.20 . 1 . . . . . . . . 6276 1 471 . 1 3 106 106 THR CB C 13 73.44 0.31 . 1 . . . . . . . . 6276 1 472 . 1 3 106 106 THR N N 15 108.3 0.14 . 1 . . . . . . . . 6276 1 473 . 1 3 107 107 LEU H H 1 8.47 0.015 . 1 . . . . . . . . 6276 1 474 . 1 3 107 107 LEU C C 13 179.9 0.08 . 1 . . . . . . . . 6276 1 475 . 1 3 107 107 LEU CA C 13 57.10 0.20 . 1 . . . . . . . . 6276 1 476 . 1 3 107 107 LEU CB C 13 39.81 0.31 . 1 . . . . . . . . 6276 1 477 . 1 3 107 107 LEU N N 15 125.6 0.14 . 1 . . . . . . . . 6276 1 478 . 1 3 108 108 SER H H 1 8.18 0.015 . 1 . . . . . . . . 6276 1 479 . 1 3 108 108 SER CA C 13 61.82 0.20 . 1 . . . . . . . . 6276 1 480 . 1 3 108 108 SER CB C 13 63.57 0.31 . 1 . . . . . . . . 6276 1 481 . 1 3 108 108 SER N N 15 113.3 0.14 . 1 . . . . . . . . 6276 1 482 . 1 3 109 109 ASP C C 13 179.4 0.08 . 1 . . . . . . . . 6276 1 483 . 1 3 110 110 LEU C C 13 178.3 0.08 . 1 . . . . . . . . 6276 1 484 . 1 3 110 110 LEU CA C 13 58.48 0.20 . 1 . . . . . . . . 6276 1 485 . 1 3 111 111 ARG H H 1 8.77 0.015 . 1 . . . . . . . . 6276 1 486 . 1 3 111 111 ARG C C 13 179.4 0.08 . 1 . . . . . . . . 6276 1 487 . 1 3 111 111 ARG CA C 13 59.88 0.20 . 1 . . . . . . . . 6276 1 488 . 1 3 111 111 ARG N N 15 119.2 0.14 . 1 . . . . . . . . 6276 1 489 . 1 3 112 112 LYS H H 1 7.66 0.015 . 1 . . . . . . . . 6276 1 490 . 1 3 112 112 LYS C C 13 179.1 0.08 . 1 . . . . . . . . 6276 1 491 . 1 3 112 112 LYS CA C 13 60.04 0.20 . 1 . . . . . . . . 6276 1 492 . 1 3 112 112 LYS N N 15 120.3 0.14 . 1 . . . . . . . . 6276 1 493 . 1 3 113 113 HIS H H 1 7.47 0.015 . 1 . . . . . . . . 6276 1 494 . 1 3 113 113 HIS C C 13 179.2 0.08 . 1 . . . . . . . . 6276 1 495 . 1 3 113 113 HIS CA C 13 59.35 0.20 . 1 . . . . . . . . 6276 1 496 . 1 3 113 113 HIS CB C 13 28.95 0.31 . 1 . . . . . . . . 6276 1 497 . 1 3 113 113 HIS N N 15 119.6 0.14 . 1 . . . . . . . . 6276 1 498 . 1 3 114 114 ILE H H 1 8.91 0.015 . 1 . . . . . . . . 6276 1 499 . 1 3 114 114 ILE C C 13 178.4 0.08 . 1 . . . . . . . . 6276 1 500 . 1 3 114 114 ILE CA C 13 63.91 0.20 . 1 . . . . . . . . 6276 1 501 . 1 3 114 114 ILE N N 15 122.6 0.14 . 1 . . . . . . . . 6276 1 502 . 1 3 115 115 ARG H H 1 7.16 0.015 . 5 . . . . . . . . 6276 1 503 . 1 3 115 115 ARG CA C 13 62.98 0.20 . 5 . . . . . . . . 6276 1 504 . 1 3 115 115 ARG CB C 13 29.62 0.31 . 5 . . . . . . . . 6276 1 505 . 1 3 115 115 ARG N N 15 118.2 0.14 . 5 . . . . . . . . 6276 1 506 . 1 3 116 116 THR C C 13 176.7 0.08 . 1 . . . . . . . . 6276 1 507 . 1 3 116 116 THR CA C 13 64.79 0.20 . 1 . . . . . . . . 6276 1 508 . 1 3 117 117 HIS H H 1 7.47 0.015 . 1 . . . . . . . . 6276 1 509 . 1 3 117 117 HIS C C 13 177.3 0.08 . 1 . . . . . . . . 6276 1 510 . 1 3 117 117 HIS CA C 13 59.38 0.20 . 1 . . . . . . . . 6276 1 511 . 1 3 117 117 HIS CB C 13 28.90 0.31 . 1 . . . . . . . . 6276 1 512 . 1 3 117 117 HIS N N 15 119.3 0.14 . 1 . . . . . . . . 6276 1 513 . 1 3 118 118 THR H H 1 7.95 0.015 . 1 . . . . . . . . 6276 1 514 . 1 3 118 118 THR C C 13 176.8 0.08 . 1 . . . . . . . . 6276 1 515 . 1 3 118 118 THR CA C 13 60.89 0.20 . 1 . . . . . . . . 6276 1 516 . 1 3 118 118 THR CB C 13 69.95 0.31 . 1 . . . . . . . . 6276 1 517 . 1 3 118 118 THR N N 15 110.8 0.14 . 1 . . . . . . . . 6276 1 518 . 1 3 119 119 GLY H H 1 8.08 0.015 . 1 . . . . . . . . 6276 1 519 . 1 3 119 119 GLY C C 13 174.6 0.08 . 1 . . . . . . . . 6276 1 520 . 1 3 119 119 GLY CA C 13 51.44 0.20 . 1 . . . . . . . . 6276 1 521 . 1 3 119 119 GLY N N 15 110.3 0.14 . 1 . . . . . . . . 6276 1 522 . 1 3 120 120 GLU H H 1 7.95 0.015 . 1 . . . . . . . . 6276 1 523 . 1 3 120 120 GLU CA C 13 51.48 0.20 . 1 . . . . . . . . 6276 1 524 . 1 3 120 120 GLU CB C 13 30.43 0.31 . 1 . . . . . . . . 6276 1 525 . 1 3 120 120 GLU N N 15 120.7 0.14 . 1 . . . . . . . . 6276 1 526 . 1 3 122 122 PRO C C 13 177.0 0.08 . 5 . . . . . . . . 6276 1 527 . 1 3 122 122 PRO CA C 13 63.83 0.20 . 5 . . . . . . . . 6276 1 528 . 1 3 123 123 PHE H H 1 7.80 0.015 . 5 . . . . . . . . 6276 1 529 . 1 3 123 123 PHE C C 13 175.0 0.08 . 5 . . . . . . . . 6276 1 530 . 1 3 123 123 PHE CA C 13 57.64 0.20 . 5 . . . . . . . . 6276 1 531 . 1 3 123 123 PHE CB C 13 38.53 0.31 . 5 . . . . . . . . 6276 1 532 . 1 3 123 123 PHE N N 15 118.0 0.14 . 5 . . . . . . . . 6276 1 533 . 1 3 124 124 ARG H H 1 8.58 0.015 . 1 . . . . . . . . 6276 1 534 . 1 3 124 124 ARG C C 13 175.3 0.08 . 1 . . . . . . . . 6276 1 535 . 1 3 124 124 ARG CA C 13 55.44 0.20 . 1 . . . . . . . . 6276 1 536 . 1 3 124 124 ARG CB C 13 32.22 0.31 . 1 . . . . . . . . 6276 1 537 . 1 3 124 124 ARG N N 15 125.6 0.14 . 1 . . . . . . . . 6276 1 538 . 1 3 125 125 CYS H H 1 8.83 0.015 . 1 . . . . . . . . 6276 1 539 . 1 3 125 125 CYS C C 13 176.6 0.08 . 1 . . . . . . . . 6276 1 540 . 1 3 125 125 CYS CA C 13 61.16 0.20 . 1 . . . . . . . . 6276 1 541 . 1 3 125 125 CYS CB C 13 30.62 0.31 . 1 . . . . . . . . 6276 1 542 . 1 3 125 125 CYS N N 15 126.8 0.14 . 1 . . . . . . . . 6276 1 543 . 1 3 126 126 ASP H H 1 8.76 0.015 . 1 . . . . . . . . 6276 1 544 . 1 3 126 126 ASP C C 13 176.8 0.08 . 1 . . . . . . . . 6276 1 545 . 1 3 126 126 ASP CA C 13 54.23 0.20 . 1 . . . . . . . . 6276 1 546 . 1 3 126 126 ASP CB C 13 41.29 0.31 . 1 . . . . . . . . 6276 1 547 . 1 3 126 126 ASP N N 15 129.5 0.14 . 1 . . . . . . . . 6276 1 548 . 1 3 127 127 HIS H H 1 9.05 0.015 . 1 . . . . . . . . 6276 1 549 . 1 3 127 127 HIS C C 13 176.8 0.08 . 1 . . . . . . . . 6276 1 550 . 1 3 127 127 HIS CA C 13 58.35 0.20 . 1 . . . . . . . . 6276 1 551 . 1 3 127 127 HIS CB C 13 30.15 0.31 . 1 . . . . . . . . 6276 1 552 . 1 3 127 127 HIS N N 15 125.1 0.14 . 1 . . . . . . . . 6276 1 553 . 1 3 128 128 ASP H H 1 8.43 0.015 . 1 . . . . . . . . 6276 1 554 . 1 3 128 128 ASP C C 13 177.6 0.08 . 1 . . . . . . . . 6276 1 555 . 1 3 128 128 ASP CA C 13 56.57 0.20 . 1 . . . . . . . . 6276 1 556 . 1 3 128 128 ASP CB C 13 40.70 0.31 . 1 . . . . . . . . 6276 1 557 . 1 3 128 128 ASP N N 15 128.8 0.14 . 1 . . . . . . . . 6276 1 558 . 1 3 129 129 GLY H H 1 8.74 0.015 . 1 . . . . . . . . 6276 1 559 . 1 3 129 129 GLY C C 13 174.3 0.08 . 1 . . . . . . . . 6276 1 560 . 1 3 129 129 GLY CA C 13 45.94 0.20 . 1 . . . . . . . . 6276 1 561 . 1 3 129 129 GLY N N 15 113.1 0.14 . 1 . . . . . . . . 6276 1 562 . 1 3 130 130 CYS H H 1 7.87 0.015 . 1 . . . . . . . . 6276 1 563 . 1 3 130 130 CYS C C 13 176.7 0.08 . 1 . . . . . . . . 6276 1 564 . 1 3 130 130 CYS CA C 13 61.24 0.20 . 1 . . . . . . . . 6276 1 565 . 1 3 130 130 CYS CB C 13 29.60 0.31 . 1 . . . . . . . . 6276 1 566 . 1 3 130 130 CYS N N 15 123.0 0.14 . 1 . . . . . . . . 6276 1 567 . 1 3 131 131 GLY H H 1 8.53 0.015 . 1 . . . . . . . . 6276 1 568 . 1 3 131 131 GLY C C 13 175.1 0.08 . 1 . . . . . . . . 6276 1 569 . 1 3 131 131 GLY CA C 13 45.98 0.20 . 1 . . . . . . . . 6276 1 570 . 1 3 131 131 GLY N N 15 106.3 0.14 . 1 . . . . . . . . 6276 1 571 . 1 3 132 132 LYS H H 1 8.07 0.015 . 1 . . . . . . . . 6276 1 572 . 1 3 132 132 LYS C C 13 174.6 0.08 . 1 . . . . . . . . 6276 1 573 . 1 3 132 132 LYS CA C 13 57.84 0.20 . 1 . . . . . . . . 6276 1 574 . 1 3 132 132 LYS CB C 13 33.21 0.31 . 1 . . . . . . . . 6276 1 575 . 1 3 132 132 LYS N N 15 122.3 0.14 . 1 . . . . . . . . 6276 1 576 . 1 3 133 133 ALA H H 1 7.55 0.015 . 1 . . . . . . . . 6276 1 577 . 1 3 133 133 ALA C C 13 175.9 0.08 . 1 . . . . . . . . 6276 1 578 . 1 3 133 133 ALA CA C 13 50.79 0.20 . 1 . . . . . . . . 6276 1 579 . 1 3 133 133 ALA CB C 13 22.46 0.31 . 1 . . . . . . . . 6276 1 580 . 1 3 133 133 ALA N N 15 122.7 0.14 . 1 . . . . . . . . 6276 1 581 . 1 3 134 134 PHE H H 1 8.77 0.015 . 1 . . . . . . . . 6276 1 582 . 1 3 134 134 PHE C C 13 175.3 0.08 . 1 . . . . . . . . 6276 1 583 . 1 3 134 134 PHE CA C 13 57.46 0.20 . 1 . . . . . . . . 6276 1 584 . 1 3 134 134 PHE CB C 13 44.05 0.31 . 1 . . . . . . . . 6276 1 585 . 1 3 134 134 PHE N N 15 116.3 0.14 . 1 . . . . . . . . 6276 1 586 . 1 3 135 135 ALA H H 1 9.53 0.015 . 1 . . . . . . . . 6276 1 587 . 1 3 135 135 ALA C C 13 176.8 0.08 . 1 . . . . . . . . 6276 1 588 . 1 3 135 135 ALA CA C 13 53.75 0.20 . 1 . . . . . . . . 6276 1 589 . 1 3 135 135 ALA CB C 13 19.94 0.31 . 1 . . . . . . . . 6276 1 590 . 1 3 135 135 ALA N N 15 123.0 0.14 . 1 . . . . . . . . 6276 1 591 . 1 3 136 136 ALA H H 1 7.41 0.015 . 1 . . . . . . . . 6276 1 592 . 1 3 136 136 ALA C C 13 177.8 0.08 . 1 . . . . . . . . 6276 1 593 . 1 3 136 136 ALA CA C 13 50.65 0.20 . 1 . . . . . . . . 6276 1 594 . 1 3 136 136 ALA CB C 13 21.67 0.31 . 1 . . . . . . . . 6276 1 595 . 1 3 136 136 ALA N N 15 117.2 0.14 . 1 . . . . . . . . 6276 1 596 . 1 3 137 137 SER H H 1 8.34 0.015 . 1 . . . . . . . . 6276 1 597 . 1 3 137 137 SER CA C 13 61.00 0.20 . 1 . . . . . . . . 6276 1 598 . 1 3 137 137 SER N N 15 119.7 0.14 . 1 . . . . . . . . 6276 1 599 . 1 3 138 138 HIS C C 13 178.0 0.08 . 1 . . . . . . . . 6276 1 600 . 1 3 138 138 HIS CA C 13 59.62 0.20 . 1 . . . . . . . . 6276 1 601 . 1 3 139 139 HIS H H 1 6.22 0.015 . 1 . . . . . . . . 6276 1 602 . 1 3 139 139 HIS C C 13 178.8 0.08 . 1 . . . . . . . . 6276 1 603 . 1 3 139 139 HIS CA C 13 57.31 0.20 . 1 . . . . . . . . 6276 1 604 . 1 3 139 139 HIS CB C 13 31.52 0.31 . 1 . . . . . . . . 6276 1 605 . 1 3 139 139 HIS N N 15 119.3 0.14 . 1 . . . . . . . . 6276 1 606 . 1 3 140 140 LEU H H 1 6.83 0.015 . 1 . . . . . . . . 6276 1 607 . 1 3 140 140 LEU C C 13 177.7 0.08 . 1 . . . . . . . . 6276 1 608 . 1 3 140 140 LEU CA C 13 57.93 0.20 . 1 . . . . . . . . 6276 1 609 . 1 3 140 140 LEU CB C 13 40.11 0.31 . 1 . . . . . . . . 6276 1 610 . 1 3 140 140 LEU N N 15 120.8 0.14 . 1 . . . . . . . . 6276 1 611 . 1 3 141 141 LYS H H 1 8.00 0.015 . 1 . . . . . . . . 6276 1 612 . 1 3 141 141 LYS C C 13 179.7 0.08 . 1 . . . . . . . . 6276 1 613 . 1 3 141 141 LYS CA C 13 60.09 0.20 . 1 . . . . . . . . 6276 1 614 . 1 3 141 141 LYS CB C 13 32.02 0.31 . 1 . . . . . . . . 6276 1 615 . 1 3 141 141 LYS N N 15 119.0 0.14 . 1 . . . . . . . . 6276 1 616 . 1 3 142 142 THR H H 1 7.69 0.015 . 1 . . . . . . . . 6276 1 617 . 1 3 142 142 THR C C 13 176.8 0.08 . 1 . . . . . . . . 6276 1 618 . 1 3 142 142 THR CA C 13 66.21 0.20 . 1 . . . . . . . . 6276 1 619 . 1 3 142 142 THR CB C 13 68.56 0.31 . 1 . . . . . . . . 6276 1 620 . 1 3 142 142 THR N N 15 113.9 0.14 . 1 . . . . . . . . 6276 1 621 . 1 3 143 143 HIS H H 1 7.54 0.015 . 5 . . . . . . . . 6276 1 622 . 1 3 143 143 HIS C C 13 178.9 0.08 . 5 . . . . . . . . 6276 1 623 . 1 3 143 143 HIS CA C 13 59.61 0.20 . 5 . . . . . . . . 6276 1 624 . 1 3 143 143 HIS CB C 13 28.61 0.31 . 5 . . . . . . . . 6276 1 625 . 1 3 143 143 HIS N N 15 121.6 0.14 . 5 . . . . . . . . 6276 1 626 . 1 3 144 144 VAL H H 1 8.86 0.015 . 1 . . . . . . . . 6276 1 627 . 1 3 144 144 VAL C C 13 178.4 0.08 . 1 . . . . . . . . 6276 1 628 . 1 3 144 144 VAL CA C 13 66.90 0.20 . 1 . . . . . . . . 6276 1 629 . 1 3 144 144 VAL CB C 13 29.92 0.31 . 1 . . . . . . . . 6276 1 630 . 1 3 144 144 VAL N N 15 119.7 0.14 . 1 . . . . . . . . 6276 1 631 . 1 3 145 145 ARG H H 1 7.04 0.015 . 5 . . . . . . . . 6276 1 632 . 1 3 145 145 ARG C C 13 179.1 0.08 . 5 . . . . . . . . 6276 1 633 . 1 3 145 145 ARG CA C 13 58.67 0.20 . 5 . . . . . . . . 6276 1 634 . 1 3 145 145 ARG CB C 13 29.53 0.31 . 5 . . . . . . . . 6276 1 635 . 1 3 145 145 ARG N N 15 118.6 0.14 . 5 . . . . . . . . 6276 1 636 . 1 3 146 146 THR H H 1 7.83 0.015 . 1 . . . . . . . . 6276 1 637 . 1 3 146 146 THR C C 13 176.4 0.08 . 1 . . . . . . . . 6276 1 638 . 1 3 146 146 THR CA C 13 64.38 0.20 . 1 . . . . . . . . 6276 1 639 . 1 3 146 146 THR N N 15 111.2 0.14 . 1 . . . . . . . . 6276 1 640 . 1 3 147 147 HIS H H 1 7.24 0.015 . 1 . . . . . . . . 6276 1 641 . 1 3 147 147 HIS C C 13 176.6 0.08 . 1 . . . . . . . . 6276 1 642 . 1 3 147 147 HIS CA C 13 56.27 0.20 . 1 . . . . . . . . 6276 1 643 . 1 3 147 147 HIS CB C 13 28.57 0.31 . 1 . . . . . . . . 6276 1 644 . 1 3 147 147 HIS N N 15 118.4 0.14 . 1 . . . . . . . . 6276 1 645 . 1 3 148 148 THR H H 1 7.73 0.015 . 1 . . . . . . . . 6276 1 646 . 1 3 148 148 THR C C 13 176.2 0.08 . 1 . . . . . . . . 6276 1 647 . 1 3 148 148 THR CA C 13 62.68 0.20 . 1 . . . . . . . . 6276 1 648 . 1 3 148 148 THR CB C 13 69.89 0.31 . 1 . . . . . . . . 6276 1 649 . 1 3 148 148 THR N N 15 110.9 0.14 . 1 . . . . . . . . 6276 1 650 . 1 3 149 149 GLY H H 1 8.13 0.015 . 1 . . . . . . . . 6276 1 651 . 1 3 149 149 GLY C C 13 174.6 0.08 . 1 . . . . . . . . 6276 1 652 . 1 3 149 149 GLY CA C 13 45.65 0.20 . 1 . . . . . . . . 6276 1 653 . 1 3 149 149 GLY N N 15 110.7 0.14 . 1 . . . . . . . . 6276 1 654 . 1 3 150 150 GLU H H 1 8.07 0.015 . 5 . . . . . . . . 6276 1 655 . 1 3 150 150 GLU CA C 13 56.69 0.20 . 5 . . . . . . . . 6276 1 656 . 1 3 150 150 GLU CB C 13 30.43 0.31 . 5 . . . . . . . . 6276 1 657 . 1 3 150 150 GLU N N 15 120.7 0.14 . 5 . . . . . . . . 6276 1 658 . 1 3 152 152 PRO C C 13 177.0 0.08 . 5 . . . . . . . . 6276 1 659 . 1 3 152 152 PRO CA C 13 63.74 0.20 . 5 . . . . . . . . 6276 1 660 . 1 3 153 153 PHE H H 1 7.80 0.015 . 5 . . . . . . . . 6276 1 661 . 1 3 153 153 PHE C C 13 175.2 0.08 . 5 . . . . . . . . 6276 1 662 . 1 3 153 153 PHE CA C 13 57.56 0.20 . 5 . . . . . . . . 6276 1 663 . 1 3 153 153 PHE CB C 13 38.53 0.31 . 5 . . . . . . . . 6276 1 664 . 1 3 153 153 PHE N N 15 118.0 0.14 . 5 . . . . . . . . 6276 1 665 . 1 3 154 154 PHE H H 1 8.36 0.015 . 1 . . . . . . . . 6276 1 666 . 1 3 154 154 PHE C C 13 174.5 0.08 . 1 . . . . . . . . 6276 1 667 . 1 3 154 154 PHE CA C 13 56.05 0.20 . 1 . . . . . . . . 6276 1 668 . 1 3 154 154 PHE CB C 13 40.78 0.31 . 1 . . . . . . . . 6276 1 669 . 1 3 154 154 PHE N N 15 123.0 0.14 . 1 . . . . . . . . 6276 1 670 . 1 3 155 155 CYS H H 1 8.43 0.015 . 1 . . . . . . . . 6276 1 671 . 1 3 155 155 CYS CA C 13 57.74 0.20 . 1 . . . . . . . . 6276 1 672 . 1 3 155 155 CYS CB C 13 30.97 0.31 . 1 . . . . . . . . 6276 1 673 . 1 3 155 155 CYS N N 15 126.1 0.14 . 1 . . . . . . . . 6276 1 674 . 1 3 156 156 PRO C C 13 177.7 0.08 . 5 . . . . . . . . 6276 1 675 . 1 3 156 156 PRO CA C 13 63.51 0.20 . 5 . . . . . . . . 6276 1 676 . 1 3 157 157 SER H H 1 8.79 0.015 . 1 . . . . . . . . 6276 1 677 . 1 3 157 157 SER C C 13 176.2 0.08 . 1 . . . . . . . . 6276 1 678 . 1 3 157 157 SER CA C 13 60.19 0.20 . 1 . . . . . . . . 6276 1 679 . 1 3 157 157 SER CB C 13 63.09 0.31 . 1 . . . . . . . . 6276 1 680 . 1 3 157 157 SER N N 15 121.5 0.14 . 1 . . . . . . . . 6276 1 681 . 1 3 158 158 ASN H H 1 8.66 0.015 . 1 . . . . . . . . 6276 1 682 . 1 3 158 158 ASN C C 13 177.3 0.08 . 1 . . . . . . . . 6276 1 683 . 1 3 158 158 ASN CA C 13 55.82 0.20 . 1 . . . . . . . . 6276 1 684 . 1 3 158 158 ASN CB C 13 38.41 0.31 . 1 . . . . . . . . 6276 1 685 . 1 3 158 158 ASN N N 15 127.1 0.14 . 1 . . . . . . . . 6276 1 686 . 1 3 159 159 GLY H H 1 9.07 0.015 . 5 . . . . . . . . 6276 1 687 . 1 3 159 159 GLY C C 13 173.7 0.08 . 5 . . . . . . . . 6276 1 688 . 1 3 159 159 GLY CA C 13 45.65 0.20 . 5 . . . . . . . . 6276 1 689 . 1 3 159 159 GLY N N 15 115.0 0.14 . 5 . . . . . . . . 6276 1 690 . 1 3 160 160 CYS H H 1 7.90 0.015 . 1 . . . . . . . . 6276 1 691 . 1 3 160 160 CYS CA C 13 60.92 0.20 . 1 . . . . . . . . 6276 1 692 . 1 3 160 160 CYS CB C 13 30.35 0.31 . 1 . . . . . . . . 6276 1 693 . 1 3 160 160 CYS N N 15 124.1 0.14 . 1 . . . . . . . . 6276 1 694 . 1 3 161 161 GLU C C 13 176.7 0.08 . 1 . . . . . . . . 6276 1 695 . 1 3 161 161 GLU CA C 13 56.33 0.20 . 1 . . . . . . . . 6276 1 696 . 1 3 162 162 LYS H H 1 8.01 0.015 . 1 . . . . . . . . 6276 1 697 . 1 3 162 162 LYS C C 13 175.7 0.08 . 1 . . . . . . . . 6276 1 698 . 1 3 162 162 LYS CA C 13 57.58 0.20 . 1 . . . . . . . . 6276 1 699 . 1 3 162 162 LYS CB C 13 33.28 0.31 . 1 . . . . . . . . 6276 1 700 . 1 3 162 162 LYS N N 15 121.7 0.14 . 1 . . . . . . . . 6276 1 701 . 1 3 163 163 THR H H 1 7.35 0.015 . 1 . . . . . . . . 6276 1 702 . 1 3 163 163 THR C C 13 173.9 0.08 . 1 . . . . . . . . 6276 1 703 . 1 3 163 163 THR CA C 13 59.47 0.20 . 1 . . . . . . . . 6276 1 704 . 1 3 163 163 THR CB C 13 71.92 0.31 . 1 . . . . . . . . 6276 1 705 . 1 3 163 163 THR N N 15 110.4 0.14 . 1 . . . . . . . . 6276 1 706 . 1 3 164 164 PHE H H 1 8.68 0.015 . 1 . . . . . . . . 6276 1 707 . 1 3 164 164 PHE CA C 13 57.96 0.20 . 1 . . . . . . . . 6276 1 708 . 1 3 164 164 PHE CB C 13 44.15 0.31 . 1 . . . . . . . . 6276 1 709 . 1 3 164 164 PHE N N 15 117.3 0.14 . 1 . . . . . . . . 6276 1 710 . 1 3 165 165 SER C C 13 174.8 0.08 . 1 . . . . . . . . 6276 1 711 . 1 3 165 165 SER CA C 13 60.44 0.20 . 1 . . . . . . . . 6276 1 712 . 1 3 166 166 THR H H 1 7.24 0.015 . 1 . . . . . . . . 6276 1 713 . 1 3 166 166 THR C C 13 174.1 0.08 . 1 . . . . . . . . 6276 1 714 . 1 3 166 166 THR CA C 13 59.24 0.20 . 1 . . . . . . . . 6276 1 715 . 1 3 166 166 THR CB C 13 73.20 0.31 . 1 . . . . . . . . 6276 1 716 . 1 3 166 166 THR N N 15 107.3 0.14 . 1 . . . . . . . . 6276 1 717 . 1 3 167 167 GLN H H 1 8.54 0.015 . 1 . . . . . . . . 6276 1 718 . 1 3 167 167 GLN C C 13 178.5 0.08 . 1 . . . . . . . . 6276 1 719 . 1 3 167 167 GLN CA C 13 58.29 0.20 . 1 . . . . . . . . 6276 1 720 . 1 3 167 167 GLN CB C 13 27.78 0.31 . 1 . . . . . . . . 6276 1 721 . 1 3 167 167 GLN N N 15 122.4 0.14 . 1 . . . . . . . . 6276 1 722 . 1 3 168 168 TYR H H 1 8.06 0.015 . 1 . . . . . . . . 6276 1 723 . 1 3 168 168 TYR C C 13 178.6 0.08 . 1 . . . . . . . . 6276 1 724 . 1 3 168 168 TYR CA C 13 61.21 0.20 . 1 . . . . . . . . 6276 1 725 . 1 3 168 168 TYR CB C 13 37.74 0.31 . 1 . . . . . . . . 6276 1 726 . 1 3 168 168 TYR N N 15 119.4 0.14 . 1 . . . . . . . . 6276 1 727 . 1 3 169 169 SER H H 1 7.82 0.015 . 1 . . . . . . . . 6276 1 728 . 1 3 169 169 SER C C 13 177.4 0.08 . 1 . . . . . . . . 6276 1 729 . 1 3 169 169 SER CA C 13 61.67 0.20 . 1 . . . . . . . . 6276 1 730 . 1 3 169 169 SER CB C 13 62.75 0.31 . 1 . . . . . . . . 6276 1 731 . 1 3 169 169 SER N N 15 116.9 0.14 . 1 . . . . . . . . 6276 1 732 . 1 3 170 170 LEU H H 1 7.11 0.015 . 1 . . . . . . . . 6276 1 733 . 1 3 170 170 LEU C C 13 178.1 0.08 . 1 . . . . . . . . 6276 1 734 . 1 3 170 170 LEU CA C 13 58.34 0.20 . 1 . . . . . . . . 6276 1 735 . 1 3 170 170 LEU CB C 13 40.19 0.31 . 1 . . . . . . . . 6276 1 736 . 1 3 170 170 LEU N N 15 124.4 0.14 . 1 . . . . . . . . 6276 1 737 . 1 3 171 171 LYS H H 1 8.26 0.015 . 1 . . . . . . . . 6276 1 738 . 1 3 171 171 LYS C C 13 180.1 0.08 . 1 . . . . . . . . 6276 1 739 . 1 3 171 171 LYS CA C 13 59.94 0.20 . 1 . . . . . . . . 6276 1 740 . 1 3 171 171 LYS CB C 13 31.43 0.31 . 1 . . . . . . . . 6276 1 741 . 1 3 171 171 LYS N N 15 119.7 0.14 . 1 . . . . . . . . 6276 1 742 . 1 3 172 172 SER H H 1 7.74 0.015 . 1 . . . . . . . . 6276 1 743 . 1 3 172 172 SER C C 13 177.4 0.08 . 1 . . . . . . . . 6276 1 744 . 1 3 172 172 SER CA C 13 61.50 0.20 . 1 . . . . . . . . 6276 1 745 . 1 3 172 172 SER CB C 13 62.69 0.31 . 1 . . . . . . . . 6276 1 746 . 1 3 172 172 SER N N 15 113.9 0.14 . 1 . . . . . . . . 6276 1 747 . 1 3 173 173 HIS H H 1 7.48 0.015 . 5 . . . . . . . . 6276 1 748 . 1 3 173 173 HIS C C 13 178.3 0.08 . 5 . . . . . . . . 6276 1 749 . 1 3 173 173 HIS CA C 13 59.17 0.20 . 5 . . . . . . . . 6276 1 750 . 1 3 173 173 HIS CB C 13 28.40 0.31 . 5 . . . . . . . . 6276 1 751 . 1 3 173 173 HIS N N 15 121.4 0.14 . 5 . . . . . . . . 6276 1 752 . 1 3 174 174 MET H H 1 8.36 0.015 . 1 . . . . . . . . 6276 1 753 . 1 3 174 174 MET C C 13 178.3 0.08 . 1 . . . . . . . . 6276 1 754 . 1 3 174 174 MET CA C 13 58.62 0.20 . 1 . . . . . . . . 6276 1 755 . 1 3 174 174 MET CB C 13 31.75 0.31 . 1 . . . . . . . . 6276 1 756 . 1 3 174 174 MET N N 15 117.9 0.14 . 1 . . . . . . . . 6276 1 757 . 1 3 175 175 LYS H H 1 7.14 0.015 . 1 . . . . . . . . 6276 1 758 . 1 3 175 175 LYS C C 13 177.6 0.08 . 1 . . . . . . . . 6276 1 759 . 1 3 175 175 LYS CA C 13 58.42 0.20 . 1 . . . . . . . . 6276 1 760 . 1 3 175 175 LYS CB C 13 31.86 0.31 . 1 . . . . . . . . 6276 1 761 . 1 3 175 175 LYS N N 15 118.2 0.14 . 1 . . . . . . . . 6276 1 762 . 1 3 176 176 GLY H H 1 7.58 0.015 . 1 . . . . . . . . 6276 1 763 . 1 3 176 176 GLY C C 13 174.8 0.08 . 1 . . . . . . . . 6276 1 764 . 1 3 176 176 GLY CA C 13 45.18 0.20 . 1 . . . . . . . . 6276 1 765 . 1 3 176 176 GLY N N 15 105.3 0.14 . 1 . . . . . . . . 6276 1 766 . 1 3 177 177 HIS H H 1 7.11 0.015 . 1 . . . . . . . . 6276 1 767 . 1 3 177 177 HIS CA C 13 57.66 0.20 . 1 . . . . . . . . 6276 1 768 . 1 3 177 177 HIS CB C 13 30.35 0.31 . 1 . . . . . . . . 6276 1 769 . 1 3 177 177 HIS N N 15 124.4 0.14 . 1 . . . . . . . . 6276 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 17 686 6276 1 1 438 6276 1 1 305 6276 1 1 165 6276 1 1 27 6276 1 2 631 6276 1 2 502 6276 1 18 654 6276 1 3 660 6276 1 3 528 6276 1 4 747 6276 1 4 621 6276 1 5 661 6276 1 5 529 6276 1 19 632 6276 1 6 674 6276 1 6 658 6276 1 6 526 6276 1 6 269 6276 1 6 35 6276 1 7 87 6276 1 7 439 6276 1 7 166 6276 1 7 28 6276 1 8 748 6276 1 8 622 6276 1 9 688 6276 1 9 440 6276 1 9 167 6276 1 9 29 6276 1 10 675 6276 1 10 659 6276 1 10 527 6276 1 10 270 6276 1 10 36 6276 1 11 530 6276 1 11 662 6276 1 12 749 6276 1 12 623 6276 1 13 655 6276 1 13 633 6276 1 13 503 6276 1 13 306 6276 1 14 689 6276 1 14 441 6276 1 14 168 6276 1 14 30 6276 1 15 751 6276 1 15 664 6276 1 15 657 6276 1 15 635 6276 1 15 625 6276 1 15 532 6276 1 15 505 6276 1 15 308 6276 1 16 750 6276 1 16 663 6276 1 16 656 6276 1 16 634 6276 1 16 624 6276 1 16 531 6276 1 16 504 6276 1 16 307 6276 1 stop_ save_