data_6905 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6905 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'comparison of one- and two-zinc finger protein domains' 'Structure analysis' ; structural comparison of one- and two-zinc finger protein domains using chemical shift data, in which the two fingers form a stable interacting motif ; 6905 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . two-finger 6905 1 . 'zinc finger' 6905 1 stop_ loop_ _Study_entry_list.Study_ID _Study_entry_list.BMRB_accession_code _Study_entry_list.BMRB_entry_description _Study_entry_list.Details _Study_entry_list.Entry_ID _Study_entry_list.Study_list_ID . pending 'Assignments for two-zinc finger protein of Zap1' 'backbone and side chain resonance assignments for zinc fingers 1 and 2 of Zap1 from Saccharomyces cerevisiae. Three non-zinc-liganding cysteines were mutated to alanines in order to obtain a stable protein for NMR data collection.' 6905 1 . pending 'Assignments for finger 1 of Zap1' 'backbone resonance assignments for zinc finger 1 and a C-terminal disordered linker region of the Zap1 protein from Saccharomyces cerevisiae.' 6905 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6905 _Entry.Title ; Solution Structure of a Zap1 Zinc-Responsive Domain Provides Insights into Metalloregulatory Transcriptional Repression in Saccharomyces cerevisiae ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-11-18 _Entry.Accession_date 2005-11-18 _Entry.Last_release_date 2006-04-27 _Entry.Original_release_date 2006-04-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details 'Two zinc fingers that form an unusual stable interacting motif similar to F1-2 of GLI' _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 Zhonghua Wang . . . 6905 2 Linda Feng . S. . 6905 3 Viktor Matskevich . A. . 6905 4 Krishna Venkataraman . . . 6905 5 Priya Parasuram . . . 6905 6 John Laity . H. . 6905 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6905 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 184 6905 '15N chemical shifts' 56 6905 '1H chemical shifts' 101 6905 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2006-04-27 2005-11-18 original author . 6905 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID . 6648 'Structural isoform of the current wild type protein shown to be suitable for structure calculations' 6905 . 6653 'The first zinc finger and with the interfinger linker of the current wild type protein' 6905 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6905 _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 ; Solution Structure of a Zap1 Zinc-responsive Domain Provides Insights into Metalloregulatory Transcriptional Repression in Saccharomyces cerevisiae ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 357 _Citation.Journal_issue 4 _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 1167 _Citation.Page_last 1183 _Citation.Year 2006 _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 Zhonghua Wang . . . 6905 1 2 Linda Feng . S. . 6905 1 3 Viktor Matskevich . A. . 6905 1 4 Krishna Venkataraman . . . 6905 1 5 Priya Parasuram . . . 6905 1 6 John Laity . H. . 6905 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6905 _Assembly.ID 1 _Assembly.Name 'Zap1 - monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 2 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'free and other bound' _Assembly.Molecular_mass 7618 _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-ligand system' 6905 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 '64 amino acid polypeptide' 1 $Zap1 . . yes native no no . protein . 6905 1 2 'ZINC (II) ION, 1' 2 $ZN . . yes native no no diamagnetic 'structural zinc' . 6905 1 3 'ZINC (II) ION, 2' 2 $ZN . . yes native no no diamagnetic 'structural zinc' . 6905 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 SING . 1 . 1 CYS 4 4 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6905 1 2 coordination SING . 1 . 1 CYS 9 9 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6905 1 3 coordination SING . 1 . 1 HIS 22 22 NE2 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6905 1 4 coordination SING . 1 . 1 HIS 27 27 NE2 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6905 1 5 coordination SING . 1 . 1 CYS 41 41 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 6905 1 6 coordination SING . 1 . 1 CYS 46 46 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 6905 1 7 coordination SING . 1 . 1 HIS 59 59 NE2 . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 6905 1 8 coordination SING . 1 . 1 HIS 64 64 NE2 . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 6905 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 . 1 1 CYS 4 4 HG . . . . 6905 1 2 . 1 1 CYS 9 9 HG . . . . 6905 1 3 . 1 1 HIS 22 22 HE2 . . . . 6905 1 4 . 1 1 HIS 27 27 HE2 . . . . 6905 1 5 . 1 1 CYS 41 41 HG . . . . 6905 1 6 . 1 1 CYS 46 46 HG . . . . 6905 1 7 . 1 1 HIS 59 59 HE2 . . . . 6905 1 8 . 1 1 HIS 64 64 HE2 . . . . 6905 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Transcription factor' 6905 1 stop_ loop_ _Assembly_keyword.Keyword _Assembly_keyword.Entry_ID _Assembly_keyword.Assembly_ID 'zinc finger' 6905 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Zap1 _Entity.Sf_category entity _Entity.Sf_framecode Zap1 _Entity.Entry_ID 6905 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Zap1-2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DLKCKWKECPESCSSLFDLQ RHLLKDHVSQDFKHPMEPLA CNWEDCDFLGDDTCSIVNHI NCQH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 2 _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 64 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'two Cys2His2 zinc fingers' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Transcription factor' 6905 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Zap1 zinc fingers 1-2' . 6905 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID 'transcription factor' 6905 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 . ASP . 6905 1 2 . LEU . 6905 1 3 . LYS . 6905 1 4 . CYS . 6905 1 5 . LYS . 6905 1 6 . TRP . 6905 1 7 . LYS . 6905 1 8 . GLU . 6905 1 9 . CYS . 6905 1 10 . PRO . 6905 1 11 . GLU . 6905 1 12 . SER . 6905 1 13 . CYS . 6905 1 14 . SER . 6905 1 15 . SER . 6905 1 16 . LEU . 6905 1 17 . PHE . 6905 1 18 . ASP . 6905 1 19 . LEU . 6905 1 20 . GLN . 6905 1 21 . ARG . 6905 1 22 . HIS . 6905 1 23 . LEU . 6905 1 24 . LEU . 6905 1 25 . LYS . 6905 1 26 . ASP . 6905 1 27 . HIS . 6905 1 28 . VAL . 6905 1 29 . SER . 6905 1 30 . GLN . 6905 1 31 . ASP . 6905 1 32 . PHE . 6905 1 33 . LYS . 6905 1 34 . HIS . 6905 1 35 . PRO . 6905 1 36 . MET . 6905 1 37 . GLU . 6905 1 38 . PRO . 6905 1 39 . LEU . 6905 1 40 . ALA . 6905 1 41 . CYS . 6905 1 42 . ASN . 6905 1 43 . TRP . 6905 1 44 . GLU . 6905 1 45 . ASP . 6905 1 46 . CYS . 6905 1 47 . ASP . 6905 1 48 . PHE . 6905 1 49 . LEU . 6905 1 50 . GLY . 6905 1 51 . ASP . 6905 1 52 . ASP . 6905 1 53 . THR . 6905 1 54 . CYS . 6905 1 55 . SER . 6905 1 56 . ILE . 6905 1 57 . VAL . 6905 1 58 . ASN . 6905 1 59 . HIS . 6905 1 60 . ILE . 6905 1 61 . ASN . 6905 1 62 . CYS . 6905 1 63 . GLN . 6905 1 64 . HIS . 6905 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 . ASP 1 1 6905 1 . LEU 2 2 6905 1 . LYS 3 3 6905 1 . CYS 4 4 6905 1 . LYS 5 5 6905 1 . TRP 6 6 6905 1 . LYS 7 7 6905 1 . GLU 8 8 6905 1 . CYS 9 9 6905 1 . PRO 10 10 6905 1 . GLU 11 11 6905 1 . SER 12 12 6905 1 . CYS 13 13 6905 1 . SER 14 14 6905 1 . SER 15 15 6905 1 . LEU 16 16 6905 1 . PHE 17 17 6905 1 . ASP 18 18 6905 1 . LEU 19 19 6905 1 . GLN 20 20 6905 1 . ARG 21 21 6905 1 . HIS 22 22 6905 1 . LEU 23 23 6905 1 . LEU 24 24 6905 1 . LYS 25 25 6905 1 . ASP 26 26 6905 1 . HIS 27 27 6905 1 . VAL 28 28 6905 1 . SER 29 29 6905 1 . GLN 30 30 6905 1 . ASP 31 31 6905 1 . PHE 32 32 6905 1 . LYS 33 33 6905 1 . HIS 34 34 6905 1 . PRO 35 35 6905 1 . MET 36 36 6905 1 . GLU 37 37 6905 1 . PRO 38 38 6905 1 . LEU 39 39 6905 1 . ALA 40 40 6905 1 . CYS 41 41 6905 1 . ASN 42 42 6905 1 . TRP 43 43 6905 1 . GLU 44 44 6905 1 . ASP 45 45 6905 1 . CYS 46 46 6905 1 . ASP 47 47 6905 1 . PHE 48 48 6905 1 . LEU 49 49 6905 1 . GLY 50 50 6905 1 . ASP 51 51 6905 1 . ASP 52 52 6905 1 . THR 53 53 6905 1 . CYS 54 54 6905 1 . SER 55 55 6905 1 . ILE 56 56 6905 1 . VAL 57 57 6905 1 . ASN 58 58 6905 1 . HIS 59 59 6905 1 . ILE 60 60 6905 1 . ASN 61 61 6905 1 . CYS 62 62 6905 1 . GLN 63 63 6905 1 . HIS 64 64 6905 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 6905 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 6905 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6905 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Zap1 . 4932 organism . 'Saccharomyces cerevisiae' yeast . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 6905 1 stop_ loop_ _Natural_source_db.Entity_natural_src_ID _Natural_source_db.Entity_ID _Natural_source_db.Entity_label _Natural_source_db.Entity_chimera_segment_ID _Natural_source_db.Database_code _Natural_source_db.Database_type _Natural_source_db.Entry_code _Natural_source_db.Entry_type _Natural_source_db.ORF_code _Natural_source_db.Gene_locus_code _Natural_source_db.Gene_cDNA_code _Natural_source_db.Entry_ID _Natural_source_db.Entity_natural_src_list_ID . 1 $Zap1 . . . P4743 Swiss-prot J1145 YJL056C . 6905 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 6905 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Zap1 . 'recombinant technology' . E.coli . . Escherichia coli BL21 DE3 . . . . . . . . . . . plasmid . . p21a-zzf1-2 'Zap1 gene derived from pYeF2ZAP1 (gift from D.J. Eide, U Wisconsin-Madison). zzf1-2 portion of gene cloned into pET-21a plasmid (Novagen). Further details could be found in the entry citation.' Novagen . . . . 6905 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 6905 _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 2008-12-05 _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 Thu Jun 2 09:48:05 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 InChI=1/Zn/q+2 InChI InChI 1.02b 6905 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 6905 ZN [Zn++] SMILES CACTVS 3.341 6905 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 6905 ZN [Zn+2] SMILES ACDLabs 10.04 6905 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 6905 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6905 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 6905 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6905 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 . 6905 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6905 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Zap1-2, Zn(II), MES, NaN2, TCEP, DSS' _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 Zap1-2 '[U-C13; U-15N]' . . 1 $Zap1 . . 0.7 . . mM . . . . 6905 1 2 'ZINC (II) ION' . . . 2 $ZN . . 1.5 . . mM . . . . 6905 1 3 MES . . . . . . . 20 . . mM . . . . 6905 1 4 TCEP . . . . . . . 0.5 . . mM . . . . 6905 1 5 DSS . . . . . . . 0.2 . . mM . . . . 6905 1 6 NaN2 . . . . . . . 1 . . mM . . . . 6905 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6905 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.9 0.03 pH 6905 1 temperature 293 0.1 K 6905 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6905 _Software.ID 1 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data analysis' 6905 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 6905 _Software.ID 2 _Software.Name NMRPipe _Software.Version 97.027.12.56 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 6905 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'triple resonance {1H, 15N, 13C} probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6905 _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 2D_1H-15N_HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6905 1 2 3D_HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6905 1 3 3D_CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6905 1 4 3D_HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6905 1 5 3D_H(CA)CO(CA)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6905 1 6 3D_HNHA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6905 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6905 _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 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6905 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6905 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6905 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6905 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 2D_1H-15N_HSQC 1 $sample_1 isotropic 6905 1 2 3D_HNCACB 1 $sample_1 isotropic 6905 1 3 3D_CBCA(CO)NH 1 $sample_1 isotropic 6905 1 4 3D_HNCO 1 $sample_1 isotropic 6905 1 5 3D_H(CA)CO(CA)NH 1 $sample_1 isotropic 6905 1 6 3D_HNHA 1 $sample_1 isotropic 6905 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID 'water saturation' H 1 4.821 0.01 6905 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 6905 1 2 $software_2 . . 6905 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 LEU H H 1 8.83 0.015 . 1 . . . . 2 LEU H . 6905 1 2 . 1 1 2 2 LEU HA H 1 4.56 0.05 . 1 . . . . 2 LEU HA . 6905 1 3 . 1 1 2 2 LEU C C 13 175.4 0.08 . 1 . . . . 2 LEU C . 6905 1 4 . 1 1 2 2 LEU CA C 13 53.6 0.31 . 1 . . . . 2 LEU CA . 6905 1 5 . 1 1 2 2 LEU CB C 13 42.9 0.31 . 1 . . . . 2 LEU CB . 6905 1 6 . 1 1 2 2 LEU N N 15 122.9 0.14 . 1 . . . . 2 LEU N . 6905 1 7 . 1 1 3 3 LYS H H 1 8.31 0.015 . 1 . . . . 3 LYS H . 6905 1 8 . 1 1 3 3 LYS HA H 1 4.43 0.05 . 1 . . . . 3 LYS HA . 6905 1 9 . 1 1 3 3 LYS C C 13 175.8 0.08 . 1 . . . . 3 LYS C . 6905 1 10 . 1 1 3 3 LYS CA C 13 54.5 0.31 . 1 . . . . 3 LYS CA . 6905 1 11 . 1 1 3 3 LYS CB C 13 33 0.31 . 1 . . . . 3 LYS CB . 6905 1 12 . 1 1 3 3 LYS N N 15 124.2 0.14 . 1 . . . . 3 LYS N . 6905 1 13 . 1 1 4 4 CYS H H 1 8.22 0.015 . 1 . . . . 4 CYS H . 6905 1 14 . 1 1 4 4 CYS HA H 1 4.34 0.05 . 1 . . . . 4 CYS HA . 6905 1 15 . 1 1 4 4 CYS C C 13 176.5 0.08 . 1 . . . . 4 CYS C . 6905 1 16 . 1 1 4 4 CYS CA C 13 61.6 0.31 . 1 . . . . 4 CYS CA . 6905 1 17 . 1 1 4 4 CYS CB C 13 29.9 0.31 . 1 . . . . 4 CYS CB . 6905 1 18 . 1 1 4 4 CYS N N 15 126.8 0.14 . 1 . . . . 4 CYS N . 6905 1 19 . 1 1 5 5 LYS C C 13 175.8 0.08 . 1 . . . . 5 LYS C . 6905 1 20 . 1 1 5 5 LYS CA C 13 53.9 0.31 . 1 . . . . 5 LYS CA . 6905 1 21 . 1 1 5 5 LYS CB C 13 29.7 0.31 . 1 . . . . 5 LYS CB . 6905 1 22 . 1 1 6 6 TRP H H 1 9.05 0.015 . 1 . . . . 6 TRP H . 6905 1 23 . 1 1 6 6 TRP HA H 1 4.04 0.05 . 1 . . . . 6 TRP HA . 6905 1 24 . 1 1 6 6 TRP C C 13 175.8 0.08 . 1 . . . . 6 TRP C . 6905 1 25 . 1 1 6 6 TRP CA C 13 57.7 0.31 . 1 . . . . 6 TRP CA . 6905 1 26 . 1 1 6 6 TRP CB C 13 28.8 0.31 . 1 . . . . 6 TRP CB . 6905 1 27 . 1 1 6 6 TRP N N 15 128.3 0.14 . 1 . . . . 6 TRP N . 6905 1 28 . 1 1 7 7 LYS H H 1 7.38 0.015 . 1 . . . . 7 LYS H . 6905 1 29 . 1 1 7 7 LYS C C 13 176.4 0.08 . 1 . . . . 7 LYS C . 6905 1 30 . 1 1 7 7 LYS CA C 13 58.5 0.31 . 1 . . . . 7 LYS CA . 6905 1 31 . 1 1 7 7 LYS CB C 13 32.6 0.31 . 1 . . . . 7 LYS CB . 6905 1 32 . 1 1 7 7 LYS N N 15 128.7 0.14 . 1 . . . . 7 LYS N . 6905 1 33 . 1 1 8 8 GLU H H 1 8.79 0.015 . 1 . . . . 8 GLU H . 6905 1 34 . 1 1 8 8 GLU HA H 1 3.91 0.05 . 1 . . . . 8 GLU HA . 6905 1 35 . 1 1 8 8 GLU C C 13 175.2 0.08 . 1 . . . . 8 GLU C . 6905 1 36 . 1 1 8 8 GLU CA C 13 57.3 0.31 . 1 . . . . 8 GLU CA . 6905 1 37 . 1 1 8 8 GLU CB C 13 27.7 0.31 . 1 . . . . 8 GLU CB . 6905 1 38 . 1 1 8 8 GLU N N 15 118.6 0.14 . 1 . . . . 8 GLU N . 6905 1 39 . 1 1 9 9 CYS H H 1 8.26 0.015 . 1 . . . . 9 CYS H . 6905 1 40 . 1 1 9 9 CYS HA H 1 4.86 0.05 . 1 . . . . 9 CYS HA . 6905 1 41 . 1 1 9 9 CYS C C 13 176.5 0.08 . 1 . . . . 9 CYS C . 6905 1 42 . 1 1 9 9 CYS CA C 13 57.3 0.31 . 1 . . . . 9 CYS CA . 6905 1 43 . 1 1 9 9 CYS CB C 13 31.5 0.31 . 1 . . . . 9 CYS CB . 6905 1 44 . 1 1 9 9 CYS N N 15 124.7 0.14 . 1 . . . . 9 CYS N . 6905 1 45 . 1 1 10 10 PRO C C 13 177.4 0.08 . 1 . . . . 10 PRO C . 6905 1 46 . 1 1 10 10 PRO CA C 13 63.2 0.31 . 1 . . . . 10 PRO CA . 6905 1 47 . 1 1 10 10 PRO CB C 13 32.5 0.31 . 1 . . . . 10 PRO CB . 6905 1 48 . 1 1 11 11 GLU H H 1 8.92 0.015 . 1 . . . . 11 GLU H . 6905 1 49 . 1 1 11 11 GLU HA H 1 4.29 0.05 . 1 . . . . 11 GLU HA . 6905 1 50 . 1 1 11 11 GLU C C 13 176.7 0.08 . 1 . . . . 11 GLU C . 6905 1 51 . 1 1 11 11 GLU CA C 13 57.9 0.31 . 1 . . . . 11 GLU CA . 6905 1 52 . 1 1 11 11 GLU CB C 13 30.7 0.31 . 1 . . . . 11 GLU CB . 6905 1 53 . 1 1 11 11 GLU N N 15 123.7 0.14 . 1 . . . . 11 GLU N . 6905 1 54 . 1 1 12 12 SER H H 1 8.64 0.015 . 1 . . . . 12 SER H . 6905 1 55 . 1 1 12 12 SER HA H 1 5.11 0.05 . 1 . . . . 12 SER HA . 6905 1 56 . 1 1 12 12 SER C C 13 173.2 0.08 . 1 . . . . 12 SER C . 6905 1 57 . 1 1 12 12 SER CA C 13 57.9 0.31 . 1 . . . . 12 SER CA . 6905 1 58 . 1 1 12 12 SER CB C 13 65.6 0.31 . 1 . . . . 12 SER CB . 6905 1 59 . 1 1 12 12 SER N N 15 118.2 0.14 . 1 . . . . 12 SER N . 6905 1 60 . 1 1 13 13 CYS H H 1 9.05 0.015 . 1 . . . . 13 CYS H . 6905 1 61 . 1 1 13 13 CYS HA H 1 4.92 0.05 . 1 . . . . 13 CYS HA . 6905 1 62 . 1 1 13 13 CYS C C 13 174.8 0.08 . 1 . . . . 13 CYS C . 6905 1 63 . 1 1 13 13 CYS CA C 13 57.7 0.31 . 1 . . . . 13 CYS CA . 6905 1 64 . 1 1 13 13 CYS CB C 13 32.9 0.31 . 1 . . . . 13 CYS CB . 6905 1 65 . 1 1 13 13 CYS N N 15 119.9 0.14 . 1 . . . . 13 CYS N . 6905 1 66 . 1 1 14 14 SER H H 1 9.46 0.015 . 1 . . . . 14 SER H . 6905 1 67 . 1 1 14 14 SER HA H 1 4.65 0.05 . 1 . . . . 14 SER HA . 6905 1 68 . 1 1 14 14 SER C C 13 173.8 0.08 . 1 . . . . 14 SER C . 6905 1 69 . 1 1 14 14 SER CA C 13 59.6 0.31 . 1 . . . . 14 SER CA . 6905 1 70 . 1 1 14 14 SER CB C 13 64 0.31 . 1 . . . . 14 SER CB . 6905 1 71 . 1 1 14 14 SER N N 15 115.8 0.14 . 1 . . . . 14 SER N . 6905 1 72 . 1 1 15 15 SER H H 1 7.53 0.015 . 1 . . . . 15 SER H . 6905 1 73 . 1 1 15 15 SER HA H 1 4.72 0.05 . 1 . . . . 15 SER HA . 6905 1 74 . 1 1 15 15 SER C C 13 174.1 0.08 . 1 . . . . 15 SER C . 6905 1 75 . 1 1 15 15 SER CA C 13 56.5 0.31 . 1 . . . . 15 SER CA . 6905 1 76 . 1 1 15 15 SER CB C 13 66.4 0.31 . 1 . . . . 15 SER CB . 6905 1 77 . 1 1 15 15 SER N N 15 111.4 0.14 . 1 . . . . 15 SER N . 6905 1 78 . 1 1 16 16 LEU H H 1 9.16 0.015 . 1 . . . . 16 LEU H . 6905 1 79 . 1 1 16 16 LEU C C 13 178.7 0.08 . 1 . . . . 16 LEU C . 6905 1 80 . 1 1 16 16 LEU CA C 13 58 0.31 . 1 . . . . 16 LEU CA . 6905 1 81 . 1 1 16 16 LEU CB C 13 41.3 0.31 . 1 . . . . 16 LEU CB . 6905 1 82 . 1 1 16 16 LEU N N 15 124 0.14 . 1 . . . . 16 LEU N . 6905 1 83 . 1 1 17 17 PHE H H 1 8.33 0.015 . 1 . . . . 17 PHE H . 6905 1 84 . 1 1 17 17 PHE HA H 1 4.33 0.05 . 1 . . . . 17 PHE HA . 6905 1 85 . 1 1 17 17 PHE C C 13 178 0.08 . 1 . . . . 17 PHE C . 6905 1 86 . 1 1 17 17 PHE CA C 13 60.5 0.31 . 1 . . . . 17 PHE CA . 6905 1 87 . 1 1 17 17 PHE CB C 13 38.8 0.31 . 1 . . . . 17 PHE CB . 6905 1 88 . 1 1 17 17 PHE N N 15 119.8 0.14 . 1 . . . . 17 PHE N . 6905 1 89 . 1 1 18 18 ASP H H 1 8.1 0.015 . 1 . . . . 18 ASP H . 6905 1 90 . 1 1 18 18 ASP HA H 1 4.36 0.05 . 1 . . . . 18 ASP HA . 6905 1 91 . 1 1 18 18 ASP C C 13 178.8 0.08 . 1 . . . . 18 ASP C . 6905 1 92 . 1 1 18 18 ASP CA C 13 57.1 0.31 . 1 . . . . 18 ASP CA . 6905 1 93 . 1 1 18 18 ASP CB C 13 41 0.31 . 1 . . . . 18 ASP CB . 6905 1 94 . 1 1 18 18 ASP N N 15 119.8 0.14 . 1 . . . . 18 ASP N . 6905 1 95 . 1 1 19 19 LEU H H 1 8.34 0.015 . 1 . . . . 19 LEU H . 6905 1 96 . 1 1 19 19 LEU HA H 1 4.87 0.05 . 1 . . . . 19 LEU HA . 6905 1 97 . 1 1 19 19 LEU C C 13 178.1 0.08 . 1 . . . . 19 LEU C . 6905 1 98 . 1 1 19 19 LEU CA C 13 58.1 0.31 . 1 . . . . 19 LEU CA . 6905 1 99 . 1 1 19 19 LEU CB C 13 42.1 0.31 . 1 . . . . 19 LEU CB . 6905 1 100 . 1 1 19 19 LEU N N 15 123.5 0.14 . 1 . . . . 19 LEU N . 6905 1 101 . 1 1 20 20 GLN H H 1 8.41 0.015 . 1 . . . . 20 GLN H . 6905 1 102 . 1 1 20 20 GLN HA H 1 3.82 0.05 . 1 . . . . 20 GLN HA . 6905 1 103 . 1 1 20 20 GLN C C 13 178.1 0.08 . 1 . . . . 20 GLN C . 6905 1 104 . 1 1 20 20 GLN CA C 13 59.6 0.31 . 1 . . . . 20 GLN CA . 6905 1 105 . 1 1 20 20 GLN CB C 13 28.1 0.31 . 1 . . . . 20 GLN CB . 6905 1 106 . 1 1 20 20 GLN N N 15 119.2 0.14 . 1 . . . . 20 GLN N . 6905 1 107 . 1 1 21 21 ARG H H 1 7.87 0.015 . 1 . . . . 21 ARG H . 6905 1 108 . 1 1 21 21 ARG HA H 1 3.84 0.05 . 1 . . . . 21 ARG HA . 6905 1 109 . 1 1 21 21 ARG C C 13 178.5 0.08 . 1 . . . . 21 ARG C . 6905 1 110 . 1 1 21 21 ARG CA C 13 59.1 0.31 . 1 . . . . 21 ARG CA . 6905 1 111 . 1 1 21 21 ARG CB C 13 29.5 0.31 . 1 . . . . 21 ARG CB . 6905 1 112 . 1 1 21 21 ARG N N 15 117.8 0.14 . 1 . . . . 21 ARG N . 6905 1 113 . 1 1 22 22 HIS H H 1 8.28 0.015 . 1 . . . . 22 HIS H . 6905 1 114 . 1 1 22 22 HIS HA H 1 4.36 0.05 . 1 . . . . 22 HIS HA . 6905 1 115 . 1 1 22 22 HIS C C 13 176.8 0.08 . 1 . . . . 22 HIS C . 6905 1 116 . 1 1 22 22 HIS CA C 13 58.4 0.31 . 1 . . . . 22 HIS CA . 6905 1 117 . 1 1 22 22 HIS CB C 13 28.3 0.31 . 1 . . . . 22 HIS CB . 6905 1 118 . 1 1 22 22 HIS N N 15 119.8 0.14 . 1 . . . . 22 HIS N . 6905 1 119 . 1 1 23 23 LEU H H 1 8.71 0.015 . 1 . . . . 23 LEU H . 6905 1 120 . 1 1 23 23 LEU HA H 1 3.48 0.05 . 1 . . . . 23 LEU HA . 6905 1 121 . 1 1 23 23 LEU C C 13 178.7 0.08 . 1 . . . . 23 LEU C . 6905 1 122 . 1 1 23 23 LEU CA C 13 58.9 0.31 . 1 . . . . 23 LEU CA . 6905 1 123 . 1 1 23 23 LEU CB C 13 42.4 0.31 . 1 . . . . 23 LEU CB . 6905 1 124 . 1 1 23 23 LEU N N 15 120.2 0.14 . 1 . . . . 23 LEU N . 6905 1 125 . 1 1 24 24 LEU H H 1 7.64 0.015 . 1 . . . . 24 LEU H . 6905 1 126 . 1 1 24 24 LEU HA H 1 3.88 0.05 . 1 . . . . 24 LEU HA . 6905 1 127 . 1 1 24 24 LEU C C 13 177.7 0.08 . 1 . . . . 24 LEU C . 6905 1 128 . 1 1 24 24 LEU CA C 13 57.1 0.31 . 1 . . . . 24 LEU CA . 6905 1 129 . 1 1 24 24 LEU CB C 13 42 0.31 . 1 . . . . 24 LEU CB . 6905 1 130 . 1 1 24 24 LEU N N 15 116.1 0.14 . 1 . . . . 24 LEU N . 6905 1 131 . 1 1 25 25 LYS H H 1 8.21 0.015 . 1 . . . . 25 LYS H . 6905 1 132 . 1 1 25 25 LYS HA H 1 4.09 0.05 . 1 . . . . 25 LYS HA . 6905 1 133 . 1 1 25 25 LYS C C 13 178 0.08 . 1 . . . . 25 LYS C . 6905 1 134 . 1 1 25 25 LYS CA C 13 57.8 0.31 . 1 . . . . 25 LYS CA . 6905 1 135 . 1 1 25 25 LYS CB C 13 33.2 0.31 . 1 . . . . 25 LYS CB . 6905 1 136 . 1 1 25 25 LYS N N 15 117.1 0.14 . 1 . . . . 25 LYS N . 6905 1 137 . 1 1 26 26 ASP H H 1 8.21 0.015 . 1 . . . . 26 ASP H . 6905 1 138 . 1 1 26 26 ASP HA H 1 4.59 0.05 . 1 . . . . 26 ASP HA . 6905 1 139 . 1 1 26 26 ASP C C 13 176.6 0.08 . 1 . . . . 26 ASP C . 6905 1 140 . 1 1 26 26 ASP CA C 13 55 0.31 . 1 . . . . 26 ASP CA . 6905 1 141 . 1 1 26 26 ASP CB C 13 40.6 0.31 . 1 . . . . 26 ASP CB . 6905 1 142 . 1 1 26 26 ASP N N 15 114.4 0.14 . 1 . . . . 26 ASP N . 6905 1 143 . 1 1 27 27 HIS H H 1 6.82 0.015 . 1 . . . . 27 HIS H . 6905 1 144 . 1 1 27 27 HIS HA H 1 4.72 0.05 . 1 . . . . 27 HIS HA . 6905 1 145 . 1 1 27 27 HIS C C 13 174.3 0.08 . 1 . . . . 27 HIS C . 6905 1 146 . 1 1 27 27 HIS CA C 13 55 0.31 . 1 . . . . 27 HIS CA . 6905 1 147 . 1 1 27 27 HIS CB C 13 27.7 0.31 . 1 . . . . 27 HIS CB . 6905 1 148 . 1 1 27 27 HIS N N 15 113.7 0.14 . 1 . . . . 27 HIS N . 6905 1 149 . 1 1 28 28 VAL H H 1 7.41 0.015 . 1 . . . . 28 VAL H . 6905 1 150 . 1 1 28 28 VAL C C 13 175.6 0.08 . 1 . . . . 28 VAL C . 6905 1 151 . 1 1 28 28 VAL CA C 13 62.9 0.31 . 1 . . . . 28 VAL CA . 6905 1 152 . 1 1 28 28 VAL CB C 13 32.5 0.31 . 1 . . . . 28 VAL CB . 6905 1 153 . 1 1 28 28 VAL N N 15 117.9 0.14 . 1 . . . . 28 VAL N . 6905 1 154 . 1 1 29 29 SER H H 1 8.2 0.015 . 1 . . . . 29 SER H . 6905 1 155 . 1 1 29 29 SER C C 13 174.5 0.08 . 1 . . . . 29 SER C . 6905 1 156 . 1 1 29 29 SER CA C 13 58.3 0.31 . 1 . . . . 29 SER CA . 6905 1 157 . 1 1 29 29 SER CB C 13 63.5 0.31 . 1 . . . . 29 SER CB . 6905 1 158 . 1 1 29 29 SER N N 15 117.9 0.14 . 1 . . . . 29 SER N . 6905 1 159 . 1 1 30 30 GLN H H 1 8.19 0.015 . 1 . . . . 30 GLN H . 6905 1 160 . 1 1 30 30 GLN C C 13 175.6 0.08 . 1 . . . . 30 GLN C . 6905 1 161 . 1 1 30 30 GLN CA C 13 55.8 0.31 . 1 . . . . 30 GLN CA . 6905 1 162 . 1 1 30 30 GLN CB C 13 29.3 0.31 . 1 . . . . 30 GLN CB . 6905 1 163 . 1 1 30 30 GLN N N 15 121.6 0.14 . 1 . . . . 30 GLN N . 6905 1 164 . 1 1 31 31 ASP H H 1 8.26 0.015 . 1 . . . . 31 ASP H . 6905 1 165 . 1 1 31 31 ASP HA H 1 4.52 0.05 . 1 . . . . 31 ASP HA . 6905 1 166 . 1 1 31 31 ASP C C 13 176.3 0.08 . 1 . . . . 31 ASP C . 6905 1 167 . 1 1 31 31 ASP CA C 13 54.1 0.31 . 1 . . . . 31 ASP CA . 6905 1 168 . 1 1 31 31 ASP CB C 13 40.9 0.31 . 1 . . . . 31 ASP CB . 6905 1 169 . 1 1 31 31 ASP N N 15 120.8 0.14 . 1 . . . . 31 ASP N . 6905 1 170 . 1 1 32 32 PHE H H 1 8.1 0.015 . 1 . . . . 32 PHE H . 6905 1 171 . 1 1 32 32 PHE HA H 1 4.57 0.05 . 1 . . . . 32 PHE HA . 6905 1 172 . 1 1 32 32 PHE C C 13 175.8 0.08 . 1 . . . . 32 PHE C . 6905 1 173 . 1 1 32 32 PHE CA C 13 57.7 0.31 . 1 . . . . 32 PHE CA . 6905 1 174 . 1 1 32 32 PHE CB C 13 38.5 0.31 . 1 . . . . 32 PHE CB . 6905 1 175 . 1 1 32 32 PHE N N 15 120.3 0.14 . 1 . . . . 32 PHE N . 6905 1 176 . 1 1 33 33 LYS H H 1 8.04 0.015 . 1 . . . . 33 LYS H . 6905 1 177 . 1 1 33 33 LYS HA H 1 4.2 0.05 . 1 . . . . 33 LYS HA . 6905 1 178 . 1 1 33 33 LYS C C 13 176.1 0.08 . 1 . . . . 33 LYS C . 6905 1 179 . 1 1 33 33 LYS CA C 13 56.1 0.31 . 1 . . . . 33 LYS CA . 6905 1 180 . 1 1 33 33 LYS CB C 13 32.9 0.31 . 1 . . . . 33 LYS CB . 6905 1 181 . 1 1 33 33 LYS N N 15 120.9 0.14 . 1 . . . . 33 LYS N . 6905 1 182 . 1 1 34 34 HIS H H 1 8.32 0.015 . 1 . . . . 34 HIS H . 6905 1 183 . 1 1 34 34 HIS C C 13 174 0.08 . 1 . . . . 34 HIS C . 6905 1 184 . 1 1 34 34 HIS CA C 13 53.6 0.31 . 1 . . . . 34 HIS CA . 6905 1 185 . 1 1 34 34 HIS CB C 13 29.6 0.31 . 1 . . . . 34 HIS CB . 6905 1 186 . 1 1 34 34 HIS N N 15 119.9 0.14 . 1 . . . . 34 HIS N . 6905 1 187 . 1 1 35 35 PRO C C 13 177.2 0.08 . 1 . . . . 35 PRO C . 6905 1 188 . 1 1 35 35 PRO CA C 13 63.8 0.31 . 1 . . . . 35 PRO CA . 6905 1 189 . 1 1 35 35 PRO CB C 13 32.2 0.31 . 1 . . . . 35 PRO CB . 6905 1 190 . 1 1 36 36 MET H H 1 8.95 0.015 . 1 . . . . 36 MET H . 6905 1 191 . 1 1 36 36 MET HA H 1 4.45 0.05 . 1 . . . . 36 MET HA . 6905 1 192 . 1 1 36 36 MET C C 13 175.9 0.08 . 1 . . . . 36 MET C . 6905 1 193 . 1 1 36 36 MET CA C 13 55.4 0.31 . 1 . . . . 36 MET CA . 6905 1 194 . 1 1 36 36 MET CB C 13 31.7 0.31 . 1 . . . . 36 MET CB . 6905 1 195 . 1 1 36 36 MET N N 15 117.7 0.14 . 1 . . . . 36 MET N . 6905 1 196 . 1 1 37 37 GLU H H 1 7.72 0.015 . 1 . . . . 37 GLU H . 6905 1 197 . 1 1 37 37 GLU HA H 1 4.67 0.05 . 1 . . . . 37 GLU HA . 6905 1 198 . 1 1 37 37 GLU C C 13 173.8 0.08 . 1 . . . . 37 GLU C . 6905 1 199 . 1 1 37 37 GLU CA C 13 53.8 0.31 . 1 . . . . 37 GLU CA . 6905 1 200 . 1 1 37 37 GLU CB C 13 30.2 0.31 . 1 . . . . 37 GLU CB . 6905 1 201 . 1 1 37 37 GLU N N 15 120.9 0.14 . 1 . . . . 37 GLU N . 6905 1 202 . 1 1 38 38 PRO C C 13 176.1 0.08 . 1 . . . . 38 PRO C . 6905 1 203 . 1 1 38 38 PRO CA C 13 62.9 0.31 . 1 . . . . 38 PRO CA . 6905 1 204 . 1 1 38 38 PRO CB C 13 32.4 0.31 . 1 . . . . 38 PRO CB . 6905 1 205 . 1 1 39 39 LEU H H 1 8.58 0.015 . 1 . . . . 39 LEU H . 6905 1 206 . 1 1 39 39 LEU HA H 1 4.41 0.05 . 1 . . . . 39 LEU HA . 6905 1 207 . 1 1 39 39 LEU C C 13 174.9 0.08 . 1 . . . . 39 LEU C . 6905 1 208 . 1 1 39 39 LEU CA C 13 54.1 0.31 . 1 . . . . 39 LEU CA . 6905 1 209 . 1 1 39 39 LEU CB C 13 42.8 0.31 . 1 . . . . 39 LEU CB . 6905 1 210 . 1 1 39 39 LEU N N 15 122.9 0.14 . 1 . . . . 39 LEU N . 6905 1 211 . 1 1 40 40 ALA H H 1 8.16 0.015 . 1 . . . . 40 ALA H . 6905 1 212 . 1 1 40 40 ALA HA H 1 4.77 0.05 . 1 . . . . 40 ALA HA . 6905 1 213 . 1 1 40 40 ALA C C 13 176.9 0.08 . 1 . . . . 40 ALA C . 6905 1 214 . 1 1 40 40 ALA CA C 13 50.8 0.31 . 1 . . . . 40 ALA CA . 6905 1 215 . 1 1 40 40 ALA CB C 13 20.4 0.31 . 1 . . . . 40 ALA CB . 6905 1 216 . 1 1 40 40 ALA N N 15 125.2 0.14 . 1 . . . . 40 ALA N . 6905 1 217 . 1 1 41 41 CYS H H 1 8.08 0.015 . 1 . . . . 41 CYS H . 6905 1 218 . 1 1 41 41 CYS HA H 1 4.34 0.05 . 1 . . . . 41 CYS HA . 6905 1 219 . 1 1 41 41 CYS C C 13 175.4 0.08 . 1 . . . . 41 CYS C . 6905 1 220 . 1 1 41 41 CYS CA C 13 60.3 0.31 . 1 . . . . 41 CYS CA . 6905 1 221 . 1 1 41 41 CYS CB C 13 31.3 0.31 . 1 . . . . 41 CYS CB . 6905 1 222 . 1 1 41 41 CYS N N 15 122.6 0.14 . 1 . . . . 41 CYS N . 6905 1 223 . 1 1 43 43 TRP C C 13 174.9 0.08 . 1 . . . . 43 TRP C . 6905 1 224 . 1 1 43 43 TRP CA C 13 58 0.31 . 1 . . . . 43 TRP CA . 6905 1 225 . 1 1 43 43 TRP CB C 13 28.9 0.31 . 1 . . . . 43 TRP CB . 6905 1 226 . 1 1 44 44 GLU H H 1 7.29 0.015 . 1 . . . . 44 GLU H . 6905 1 227 . 1 1 44 44 GLU CA C 13 58.3 0.31 . 1 . . . . 44 GLU CA . 6905 1 228 . 1 1 44 44 GLU CB C 13 29.6 0.31 . 1 . . . . 44 GLU CB . 6905 1 229 . 1 1 44 44 GLU N N 15 127.7 0.14 . 1 . . . . 44 GLU N . 6905 1 230 . 1 1 45 45 ASP H H 1 8.59 0.015 . 1 . . . . 45 ASP H . 6905 1 231 . 1 1 45 45 ASP HA H 1 4.5 0.05 . 1 . . . . 45 ASP HA . 6905 1 232 . 1 1 45 45 ASP C C 13 174.6 0.08 . 1 . . . . 45 ASP C . 6905 1 233 . 1 1 45 45 ASP CA C 13 54.5 0.31 . 1 . . . . 45 ASP CA . 6905 1 234 . 1 1 45 45 ASP CB C 13 39.7 0.31 . 1 . . . . 45 ASP CB . 6905 1 235 . 1 1 45 45 ASP N N 15 120.9 0.14 . 1 . . . . 45 ASP N . 6905 1 236 . 1 1 46 46 CYS H H 1 8.25 0.015 . 1 . . . . 46 CYS H . 6905 1 237 . 1 1 46 46 CYS HA H 1 4.31 0.05 . 1 . . . . 46 CYS HA . 6905 1 238 . 1 1 46 46 CYS C C 13 174.7 0.08 . 1 . . . . 46 CYS C . 6905 1 239 . 1 1 46 46 CYS CA C 13 61.2 0.31 . 1 . . . . 46 CYS CA . 6905 1 240 . 1 1 46 46 CYS CB C 13 30.4 0.31 . 1 . . . . 46 CYS CB . 6905 1 241 . 1 1 46 46 CYS N N 15 123.7 0.14 . 1 . . . . 46 CYS N . 6905 1 242 . 1 1 47 47 ASP H H 1 8.21 0.015 . 1 . . . . 47 ASP H . 6905 1 243 . 1 1 47 47 ASP HA H 1 4.95 0.05 . 1 . . . . 47 ASP HA . 6905 1 244 . 1 1 47 47 ASP C C 13 176.5 0.08 . 1 . . . . 47 ASP C . 6905 1 245 . 1 1 47 47 ASP CA C 13 52.9 0.31 . 1 . . . . 47 ASP CA . 6905 1 246 . 1 1 47 47 ASP CB C 13 40.9 0.31 . 1 . . . . 47 ASP CB . 6905 1 247 . 1 1 47 47 ASP N N 15 125.9 0.14 . 1 . . . . 47 ASP N . 6905 1 248 . 1 1 48 48 PHE H H 1 8.76 0.015 . 1 . . . . 48 PHE H . 6905 1 249 . 1 1 48 48 PHE HA H 1 3.99 0.05 . 1 . . . . 48 PHE HA . 6905 1 250 . 1 1 48 48 PHE C C 13 174.2 0.08 . 1 . . . . 48 PHE C . 6905 1 251 . 1 1 48 48 PHE CA C 13 60.8 0.31 . 1 . . . . 48 PHE CA . 6905 1 252 . 1 1 48 48 PHE CB C 13 40.4 0.31 . 1 . . . . 48 PHE CB . 6905 1 253 . 1 1 48 48 PHE N N 15 124.3 0.14 . 1 . . . . 48 PHE N . 6905 1 254 . 1 1 49 49 LEU H H 1 7.05 0.015 . 1 . . . . 49 LEU H . 6905 1 255 . 1 1 49 49 LEU HA H 1 4.67 0.05 . 1 . . . . 49 LEU HA . 6905 1 256 . 1 1 49 49 LEU C C 13 175.2 0.08 . 1 . . . . 49 LEU C . 6905 1 257 . 1 1 49 49 LEU CA C 13 53.1 0.31 . 1 . . . . 49 LEU CA . 6905 1 258 . 1 1 49 49 LEU CB C 13 44.6 0.31 . 1 . . . . 49 LEU CB . 6905 1 259 . 1 1 49 49 LEU N N 15 129 0.14 . 1 . . . . 49 LEU N . 6905 1 260 . 1 1 50 50 GLY H H 1 8.89 0.015 . 1 . . . . 50 GLY H . 6905 1 261 . 1 1 50 50 GLY C C 13 172.9 0.08 . 1 . . . . 50 GLY C . 6905 1 262 . 1 1 50 50 GLY CA C 13 43.9 0.31 . 1 . . . . 50 GLY CA . 6905 1 263 . 1 1 50 50 GLY N N 15 109.7 0.14 . 1 . . . . 50 GLY N . 6905 1 264 . 1 1 51 51 ASP H H 1 8.57 0.015 . 1 . . . . 51 ASP H . 6905 1 265 . 1 1 51 51 ASP C C 13 175.5 0.08 . 1 . . . . 51 ASP C . 6905 1 266 . 1 1 51 51 ASP CA C 13 55.5 0.31 . 1 . . . . 51 ASP CA . 6905 1 267 . 1 1 51 51 ASP CB C 13 41.5 0.31 . 1 . . . . 51 ASP CB . 6905 1 268 . 1 1 51 51 ASP N N 15 119.2 0.14 . 1 . . . . 51 ASP N . 6905 1 269 . 1 1 52 52 ASP H H 1 7.68 0.015 . 1 . . . . 52 ASP H . 6905 1 270 . 1 1 52 52 ASP HA H 1 4.38 0.05 . 1 . . . . 52 ASP HA . 6905 1 271 . 1 1 52 52 ASP C C 13 177 0.08 . 1 . . . . 52 ASP C . 6905 1 272 . 1 1 52 52 ASP CA C 13 54.4 0.31 . 1 . . . . 52 ASP CA . 6905 1 273 . 1 1 52 52 ASP CB C 13 40.8 0.31 . 1 . . . . 52 ASP CB . 6905 1 274 . 1 1 52 52 ASP N N 15 113.6 0.14 . 1 . . . . 52 ASP N . 6905 1 275 . 1 1 53 53 THR H H 1 8.25 0.015 . 1 . . . . 53 THR H . 6905 1 276 . 1 1 53 53 THR HA H 1 4.22 0.05 . 1 . . . . 53 THR HA . 6905 1 277 . 1 1 53 53 THR C C 13 175.1 0.08 . 1 . . . . 53 THR C . 6905 1 278 . 1 1 53 53 THR CA C 13 62.7 0.31 . 1 . . . . 53 THR CA . 6905 1 279 . 1 1 53 53 THR CB C 13 69.4 0.31 . 1 . . . . 53 THR CB . 6905 1 280 . 1 1 53 53 THR N N 15 113.7 0.14 . 1 . . . . 53 THR N . 6905 1 281 . 1 1 54 54 CYS H H 1 8.28 0.015 . 1 . . . . 54 CYS H . 6905 1 282 . 1 1 54 54 CYS HA H 1 4.36 0.05 . 1 . . . . 54 CYS HA . 6905 1 283 . 1 1 54 54 CYS C C 13 174.5 0.08 . 1 . . . . 54 CYS C . 6905 1 284 . 1 1 54 54 CYS CA C 13 59 0.31 . 1 . . . . 54 CYS CA . 6905 1 285 . 1 1 54 54 CYS CB C 13 27.7 0.31 . 1 . . . . 54 CYS CB . 6905 1 286 . 1 1 54 54 CYS N N 15 120.3 0.14 . 1 . . . . 54 CYS N . 6905 1 287 . 1 1 55 55 SER H H 1 8.28 0.015 . 1 . . . . 55 SER H . 6905 1 288 . 1 1 55 55 SER C C 13 173.9 0.08 . 1 . . . . 55 SER C . 6905 1 289 . 1 1 55 55 SER CA C 13 58.3 0.31 . 1 . . . . 55 SER CA . 6905 1 290 . 1 1 55 55 SER CB C 13 63.4 0.31 . 1 . . . . 55 SER CB . 6905 1 291 . 1 1 55 55 SER N N 15 117.8 0.14 . 1 . . . . 55 SER N . 6905 1 292 . 1 1 56 56 ILE H H 1 8.09 0.015 . 1 . . . . 56 ILE H . 6905 1 293 . 1 1 56 56 ILE HA H 1 4.34 0.05 . 1 . . . . 56 ILE HA . 6905 1 294 . 1 1 56 56 ILE C C 13 176 0.08 . 1 . . . . 56 ILE C . 6905 1 295 . 1 1 56 56 ILE CA C 13 61.4 0.31 . 1 . . . . 56 ILE CA . 6905 1 296 . 1 1 56 56 ILE CB C 13 38.7 0.31 . 1 . . . . 56 ILE CB . 6905 1 297 . 1 1 56 56 ILE N N 15 122.5 0.14 . 1 . . . . 56 ILE N . 6905 1 298 . 1 1 57 57 VAL C C 13 177.7 0.08 . 1 . . . . 57 VAL C . 6905 1 299 . 1 1 57 57 VAL CA C 13 67.3 0.31 . 1 . . . . 57 VAL CA . 6905 1 300 . 1 1 57 57 VAL CB C 13 31.4 0.31 . 1 . . . . 57 VAL CB . 6905 1 301 . 1 1 58 58 ASN H H 1 8.25 0.015 . 1 . . . . 58 ASN H . 6905 1 302 . 1 1 58 58 ASN HA H 1 4.67 0.05 . 1 . . . . 58 ASN HA . 6905 1 303 . 1 1 58 58 ASN C C 13 177.3 0.08 . 1 . . . . 58 ASN C . 6905 1 304 . 1 1 58 58 ASN CA C 13 56.3 0.31 . 1 . . . . 58 ASN CA . 6905 1 305 . 1 1 58 58 ASN CB C 13 38.2 0.31 . 1 . . . . 58 ASN CB . 6905 1 306 . 1 1 58 58 ASN N N 15 116.8 0.14 . 1 . . . . 58 ASN N . 6905 1 307 . 1 1 59 59 HIS H H 1 7.8 0.015 . 1 . . . . 59 HIS H . 6905 1 308 . 1 1 59 59 HIS HA H 1 3.97 0.05 . 1 . . . . 59 HIS HA . 6905 1 309 . 1 1 59 59 HIS C C 13 176.2 0.08 . 1 . . . . 59 HIS C . 6905 1 310 . 1 1 59 59 HIS CA C 13 59.2 0.31 . 1 . . . . 59 HIS CA . 6905 1 311 . 1 1 59 59 HIS CB C 13 27.7 0.31 . 1 . . . . 59 HIS CB . 6905 1 312 . 1 1 59 59 HIS N N 15 118.8 0.14 . 1 . . . . 59 HIS N . 6905 1 313 . 1 1 60 60 ILE H H 1 8.53 0.015 . 1 . . . . 60 ILE H . 6905 1 314 . 1 1 60 60 ILE C C 13 177.6 0.08 . 1 . . . . 60 ILE C . 6905 1 315 . 1 1 60 60 ILE CA C 13 65.3 0.31 . 1 . . . . 60 ILE CA . 6905 1 316 . 1 1 60 60 ILE CB C 13 37.9 0.31 . 1 . . . . 60 ILE CB . 6905 1 317 . 1 1 60 60 ILE N N 15 120.2 0.14 . 1 . . . . 60 ILE N . 6905 1 318 . 1 1 61 61 ASN H H 1 7.98 0.015 . 1 . . . . 61 ASN H . 6905 1 319 . 1 1 61 61 ASN HA H 1 4.38 0.05 . 1 . . . . 61 ASN HA . 6905 1 320 . 1 1 61 61 ASN C C 13 177.3 0.08 . 1 . . . . 61 ASN C . 6905 1 321 . 1 1 61 61 ASN CA C 13 55.2 0.31 . 1 . . . . 61 ASN CA . 6905 1 322 . 1 1 61 61 ASN CB C 13 38.7 0.31 . 1 . . . . 61 ASN CB . 6905 1 323 . 1 1 61 61 ASN N N 15 115.1 0.14 . 1 . . . . 61 ASN N . 6905 1 324 . 1 1 62 62 CYS H H 1 7.68 0.015 . 1 . . . . 62 CYS H . 6905 1 325 . 1 1 62 62 CYS HA H 1 4.4 0.05 . 1 . . . . 62 CYS HA . 6905 1 326 . 1 1 62 62 CYS C C 13 175.8 0.08 . 1 . . . . 62 CYS C . 6905 1 327 . 1 1 62 62 CYS CA C 13 60.7 0.31 . 1 . . . . 62 CYS CA . 6905 1 328 . 1 1 62 62 CYS CB C 13 28.7 0.31 . 1 . . . . 62 CYS CB . 6905 1 329 . 1 1 62 62 CYS N N 15 114.1 0.14 . 1 . . . . 62 CYS N . 6905 1 330 . 1 1 63 63 GLN H H 1 8.03 0.015 . 1 . . . . 63 GLN H . 6905 1 331 . 1 1 63 63 GLN HA H 1 4.18 0.05 . 1 . . . . 63 GLN HA . 6905 1 332 . 1 1 63 63 GLN C C 13 174.9 0.08 . 1 . . . . 63 GLN C . 6905 1 333 . 1 1 63 63 GLN CA C 13 55.6 0.31 . 1 . . . . 63 GLN CA . 6905 1 334 . 1 1 63 63 GLN CB C 13 29.3 0.31 . 1 . . . . 63 GLN CB . 6905 1 335 . 1 1 63 63 GLN N N 15 116.4 0.14 . 1 . . . . 63 GLN N . 6905 1 336 . 1 1 64 64 HIS H H 1 8.08 0.015 . 1 . . . . 64 HIS H . 6905 1 337 . 1 1 64 64 HIS HA H 1 4.45 0.05 . 1 . . . . 64 HIS HA . 6905 1 338 . 1 1 64 64 HIS C C 13 179 0.08 . 1 . . . . 64 HIS C . 6905 1 339 . 1 1 64 64 HIS CA C 13 56.7 0.31 . 1 . . . . 64 HIS CA . 6905 1 340 . 1 1 64 64 HIS CB C 13 30.1 0.31 . 1 . . . . 64 HIS CB . 6905 1 341 . 1 1 64 64 HIS N N 15 125.3 0.14 . 1 . . . . 64 HIS N . 6905 1 stop_ save_