data_11486 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11486 _Entry.Title ; Solution structures of the DNA-binding domains of immune-related zinc-finger protein ZFAT ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-03-07 _Entry.Accession_date 2012-03-08 _Entry.Last_release_date 2013-03-12 _Entry.Original_release_date 2013-03-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.1.21 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Naoya Tochio . . . 11486 2 Takashi Umehara . . . 11486 3 Takanori Kigawa . . . 11486 4 Shigeyuki Yokoyama . . . 11486 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 11486 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ZFAT . 11486 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11486 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 148 11486 '15N chemical shifts' 28 11486 '1H chemical shifts' 210 11486 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 . . 2013-03-12 2012-03-07 original author . 11486 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RSH 'BMRB Entry Tracking System' 11486 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11486 _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 structures of the DNA-binding domains of immune-related zinc-finger protein ZFAT' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Naoya Tochio . . . 11486 1 2 Takashi Umehara . . . 11486 1 3 Takanori Kigawa . . . 11486 1 4 Shigeyuki Yokoyama . . . 11486 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11486 _Assembly.ID 1 _Assembly.Name protein _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A . yes native no no . . . 11486 1 2 'ZINC ION' 2 $entity_ZN B . no native no no . . . 11486 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 entity_1 1 CYS 12 12 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . 12 CYS SG . . . . ZN 11486 1 2 coordination single . 1 entity_1 1 CYS 15 15 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . 15 CYS SG . . . . ZN 11486 1 3 coordination single . 1 entity_1 1 HIS 28 28 NE2 . 2 'ZINC ION' 2 ZN 1 1 ZN . . 28 HIS NE2 . . . . ZN 11486 1 4 coordination single . 1 entity_1 1 HIS 33 33 NE2 . 2 'ZINC ION' 2 ZN 1 1 ZN . . 33 HIS NE2 . . . . ZN 11486 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11486 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGEKFACDYCSFTCL SKGHLKVHIERVHKKIK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 37 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4078.767 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 PDB 2RSH . "Solution Structures Of The Dna-binding Domains Of Immune-related Zinc- Finger Protein Zfat" . . . . . 100.00 37 100.00 100.00 3.23e-16 . . . . 11486 1 2 no PDB 2RUV . "Solution Structures Of The Dna-binding Domain (zf4) Of Immune-related Zinc-finger Protein Zfat" . . . . . 100.00 37 100.00 100.00 3.23e-16 . . . . 11486 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 . GLY . 11486 1 2 . SER . 11486 1 3 . SER . 11486 1 4 . GLY . 11486 1 5 . SER . 11486 1 6 . SER . 11486 1 7 . GLY . 11486 1 8 . GLU . 11486 1 9 . LYS . 11486 1 10 . PHE . 11486 1 11 . ALA . 11486 1 12 . CYS . 11486 1 13 . ASP . 11486 1 14 . TYR . 11486 1 15 . CYS . 11486 1 16 . SER . 11486 1 17 . PHE . 11486 1 18 . THR . 11486 1 19 . CYS . 11486 1 20 . LEU . 11486 1 21 . SER . 11486 1 22 . LYS . 11486 1 23 . GLY . 11486 1 24 . HIS . 11486 1 25 . LEU . 11486 1 26 . LYS . 11486 1 27 . VAL . 11486 1 28 . HIS . 11486 1 29 . ILE . 11486 1 30 . GLU . 11486 1 31 . ARG . 11486 1 32 . VAL . 11486 1 33 . HIS . 11486 1 34 . LYS . 11486 1 35 . LYS . 11486 1 36 . ILE . 11486 1 37 . LYS . 11486 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11486 1 . SER 2 2 11486 1 . SER 3 3 11486 1 . GLY 4 4 11486 1 . SER 5 5 11486 1 . SER 6 6 11486 1 . GLY 7 7 11486 1 . GLU 8 8 11486 1 . LYS 9 9 11486 1 . PHE 10 10 11486 1 . ALA 11 11 11486 1 . CYS 12 12 11486 1 . ASP 13 13 11486 1 . TYR 14 14 11486 1 . CYS 15 15 11486 1 . SER 16 16 11486 1 . PHE 17 17 11486 1 . THR 18 18 11486 1 . CYS 19 19 11486 1 . LEU 20 20 11486 1 . SER 21 21 11486 1 . LYS 22 22 11486 1 . GLY 23 23 11486 1 . HIS 24 24 11486 1 . LEU 25 25 11486 1 . LYS 26 26 11486 1 . VAL 27 27 11486 1 . HIS 28 28 11486 1 . ILE 29 29 11486 1 . GLU 30 30 11486 1 . ARG 31 31 11486 1 . VAL 32 32 11486 1 . HIS 33 33 11486 1 . LYS 34 34 11486 1 . LYS 35 35 11486 1 . ILE 36 36 11486 1 . LYS 37 37 11486 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 11486 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 11486 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 11486 2 ZN 'Three letter code' 11486 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 11486 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 11486 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 11486 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11486 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 11486 _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 $entity_1 . 'recombinant technology' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P061010-09 . . . . . . 11486 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 11486 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-12-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 11486 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 11486 ZN [Zn++] SMILES CACTVS 3.341 11486 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11486 ZN [Zn+2] SMILES ACDLabs 10.04 11486 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11486 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11486 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 11486 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11486 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 11486 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11486 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 protein '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.09 . . mM . . . . 11486 1 2 TRIS [U-2H] . . . . . . 20 . . mM . . . . 11486 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 11486 1 4 DTT [U-2H] . . . . . . 1 . . mM . . . . 11486 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 11486 1 6 'zinc chloride' 'natural abundance' . . . . . . 50 . . uM . . . . 11486 1 7 H2O . . . . . . solvent 90 . . % . . . . 11486 1 8 D2O . . . . . . solvent 10 . . % . . . . 11486 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11486 _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 'ionic strength' 120 . mM 11486 1 pH 7.0 . pH 11486 1 pressure 1 . atm 11486 1 temperature 296 . K 11486 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 11486 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11486 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11486 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11486 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11486 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11486 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11486 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 11486 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11486 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11486 _Software.ID 4 _Software.Name Kujira _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'N. Kobayashi' . . 11486 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11486 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11486 _Software.ID 5 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11486 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11486 5 stop_ 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 11486 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11486 _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 spectrometer_1 Bruker Avance . 900 . . . 11486 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 11486 _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 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11486 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11486 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11486 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 water protons . . . . ppm 4.792 internal indirect 0.251449530 . . . . . . . . . 11486 1 H 1 water protons . . . . ppm 4.792 internal direct 1 . . . . . . . . . 11486 1 N 15 water protons . . . . ppm 4.792 internal indirect 0.101329118 . . . . . . . . . 11486 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11486 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 11486 1 2 '3D 1H-13C NOESY' . . . 11486 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 6 6 SER HA H 1 4.480 0.030 . 1 . . . A 6 SER HA . 11486 1 2 . 1 1 6 6 SER HB2 H 1 3.898 0.030 . 1 . . . A 6 SER HB2 . 11486 1 3 . 1 1 6 6 SER HB3 H 1 3.898 0.030 . 1 . . . A 6 SER HB3 . 11486 1 4 . 1 1 6 6 SER C C 13 174.944 0.300 . 1 . . . A 6 SER C . 11486 1 5 . 1 1 6 6 SER CA C 13 58.621 0.300 . 1 . . . A 6 SER CA . 11486 1 6 . 1 1 6 6 SER CB C 13 63.856 0.300 . 1 . . . A 6 SER CB . 11486 1 7 . 1 1 7 7 GLY H H 1 8.364 0.030 . 1 . . . A 7 GLY H . 11486 1 8 . 1 1 7 7 GLY HA2 H 1 3.927 0.030 . 1 . . . A 7 GLY HA2 . 11486 1 9 . 1 1 7 7 GLY HA3 H 1 3.927 0.030 . 1 . . . A 7 GLY HA3 . 11486 1 10 . 1 1 7 7 GLY C C 13 173.655 0.300 . 1 . . . A 7 GLY C . 11486 1 11 . 1 1 7 7 GLY CA C 13 45.244 0.300 . 1 . . . A 7 GLY CA . 11486 1 12 . 1 1 7 7 GLY N N 15 110.726 0.300 . 1 . . . A 7 GLY N . 11486 1 13 . 1 1 8 8 GLU H H 1 8.155 0.030 . 1 . . . A 8 GLU H . 11486 1 14 . 1 1 8 8 GLU HA H 1 4.097 0.030 . 1 . . . A 8 GLU HA . 11486 1 15 . 1 1 8 8 GLU HB2 H 1 1.795 0.030 . 1 . . . A 8 GLU HB2 . 11486 1 16 . 1 1 8 8 GLU HB3 H 1 1.795 0.030 . 1 . . . A 8 GLU HB3 . 11486 1 17 . 1 1 8 8 GLU HG2 H 1 2.076 0.030 . 2 . . . A 8 GLU HG2 . 11486 1 18 . 1 1 8 8 GLU HG3 H 1 1.940 0.030 . 2 . . . A 8 GLU HG3 . 11486 1 19 . 1 1 8 8 GLU C C 13 175.103 0.300 . 1 . . . A 8 GLU C . 11486 1 20 . 1 1 8 8 GLU CA C 13 56.445 0.300 . 1 . . . A 8 GLU CA . 11486 1 21 . 1 1 8 8 GLU CB C 13 30.507 0.300 . 1 . . . A 8 GLU CB . 11486 1 22 . 1 1 8 8 GLU CG C 13 36.175 0.300 . 1 . . . A 8 GLU CG . 11486 1 23 . 1 1 8 8 GLU N N 15 121.148 0.300 . 1 . . . A 8 GLU N . 11486 1 24 . 1 1 9 9 LYS H H 1 7.863 0.030 . 1 . . . A 9 LYS H . 11486 1 25 . 1 1 9 9 LYS HA H 1 4.384 0.030 . 1 . . . A 9 LYS HA . 11486 1 26 . 1 1 9 9 LYS HB2 H 1 1.553 0.030 . 1 . . . A 9 LYS HB2 . 11486 1 27 . 1 1 9 9 LYS HB3 H 1 1.553 0.030 . 1 . . . A 9 LYS HB3 . 11486 1 28 . 1 1 9 9 LYS HG2 H 1 1.284 0.030 . 2 . . . A 9 LYS HG2 . 11486 1 29 . 1 1 9 9 LYS HG3 H 1 1.160 0.030 . 2 . . . A 9 LYS HG3 . 11486 1 30 . 1 1 9 9 LYS HD2 H 1 1.527 0.030 . 2 . . . A 9 LYS HD2 . 11486 1 31 . 1 1 9 9 LYS HE2 H 1 2.842 0.030 . 2 . . . A 9 LYS HE2 . 11486 1 32 . 1 1 9 9 LYS C C 13 175.305 0.300 . 1 . . . A 9 LYS C . 11486 1 33 . 1 1 9 9 LYS CA C 13 55.451 0.300 . 1 . . . A 9 LYS CA . 11486 1 34 . 1 1 9 9 LYS CB C 13 34.258 0.300 . 1 . . . A 9 LYS CB . 11486 1 35 . 1 1 9 9 LYS CG C 13 24.776 0.300 . 1 . . . A 9 LYS CG . 11486 1 36 . 1 1 9 9 LYS CD C 13 29.033 0.300 . 1 . . . A 9 LYS CD . 11486 1 37 . 1 1 9 9 LYS CE C 13 42.032 0.300 . 1 . . . A 9 LYS CE . 11486 1 38 . 1 1 9 9 LYS N N 15 120.384 0.300 . 1 . . . A 9 LYS N . 11486 1 39 . 1 1 10 10 PHE H H 1 8.563 0.030 . 1 . . . A 10 PHE H . 11486 1 40 . 1 1 10 10 PHE HA H 1 4.506 0.030 . 1 . . . A 10 PHE HA . 11486 1 41 . 1 1 10 10 PHE HB2 H 1 2.847 0.030 . 2 . . . A 10 PHE HB2 . 11486 1 42 . 1 1 10 10 PHE HB3 H 1 2.808 0.030 . 2 . . . A 10 PHE HB3 . 11486 1 43 . 1 1 10 10 PHE HD1 H 1 7.032 0.030 . 1 . . . A 10 PHE HD1 . 11486 1 44 . 1 1 10 10 PHE HD2 H 1 7.032 0.030 . 1 . . . A 10 PHE HD2 . 11486 1 45 . 1 1 10 10 PHE HE1 H 1 7.264 0.030 . 1 . . . A 10 PHE HE1 . 11486 1 46 . 1 1 10 10 PHE HE2 H 1 7.264 0.030 . 1 . . . A 10 PHE HE2 . 11486 1 47 . 1 1 10 10 PHE HZ H 1 7.273 0.030 . 1 . . . A 10 PHE HZ . 11486 1 48 . 1 1 10 10 PHE C C 13 173.795 0.300 . 1 . . . A 10 PHE C . 11486 1 49 . 1 1 10 10 PHE CA C 13 57.761 0.300 . 1 . . . A 10 PHE CA . 11486 1 50 . 1 1 10 10 PHE CB C 13 40.541 0.300 . 1 . . . A 10 PHE CB . 11486 1 51 . 1 1 10 10 PHE CD1 C 13 131.361 0.300 . 1 . . . A 10 PHE CD1 . 11486 1 52 . 1 1 10 10 PHE CD2 C 13 131.361 0.300 . 1 . . . A 10 PHE CD2 . 11486 1 53 . 1 1 10 10 PHE CE1 C 13 131.347 0.300 . 1 . . . A 10 PHE CE1 . 11486 1 54 . 1 1 10 10 PHE CE2 C 13 131.347 0.300 . 1 . . . A 10 PHE CE2 . 11486 1 55 . 1 1 10 10 PHE CZ C 13 129.530 0.300 . 1 . . . A 10 PHE CZ . 11486 1 56 . 1 1 10 10 PHE N N 15 121.699 0.300 . 1 . . . A 10 PHE N . 11486 1 57 . 1 1 11 11 ALA H H 1 8.577 0.030 . 1 . . . A 11 ALA H . 11486 1 58 . 1 1 11 11 ALA HA H 1 4.888 0.030 . 1 . . . A 11 ALA HA . 11486 1 59 . 1 1 11 11 ALA HB1 H 1 1.347 0.030 . 1 . . . A 11 ALA HB1 . 11486 1 60 . 1 1 11 11 ALA HB2 H 1 1.347 0.030 . 1 . . . A 11 ALA HB2 . 11486 1 61 . 1 1 11 11 ALA HB3 H 1 1.347 0.030 . 1 . . . A 11 ALA HB3 . 11486 1 62 . 1 1 11 11 ALA C C 13 175.876 0.300 . 1 . . . A 11 ALA C . 11486 1 63 . 1 1 11 11 ALA CA C 13 50.680 0.300 . 1 . . . A 11 ALA CA . 11486 1 64 . 1 1 11 11 ALA CB C 13 21.436 0.300 . 1 . . . A 11 ALA CB . 11486 1 65 . 1 1 11 11 ALA N N 15 125.504 0.300 . 1 . . . A 11 ALA N . 11486 1 66 . 1 1 12 12 CYS H H 1 8.394 0.030 . 1 . . . A 12 CYS H . 11486 1 67 . 1 1 12 12 CYS HA H 1 4.242 0.030 . 1 . . . A 12 CYS HA . 11486 1 68 . 1 1 12 12 CYS HB2 H 1 3.446 0.030 . 2 . . . A 12 CYS HB2 . 11486 1 69 . 1 1 12 12 CYS HB3 H 1 2.789 0.030 . 2 . . . A 12 CYS HB3 . 11486 1 70 . 1 1 12 12 CYS C C 13 175.250 0.300 . 1 . . . A 12 CYS C . 11486 1 71 . 1 1 12 12 CYS CA C 13 60.647 0.300 . 1 . . . A 12 CYS CA . 11486 1 72 . 1 1 12 12 CYS CB C 13 30.504 0.300 . 1 . . . A 12 CYS CB . 11486 1 73 . 1 1 12 12 CYS N N 15 125.228 0.300 . 1 . . . A 12 CYS N . 11486 1 74 . 1 1 13 13 ASP H H 1 8.176 0.030 . 1 . . . A 13 ASP H . 11486 1 75 . 1 1 13 13 ASP HA H 1 4.416 0.030 . 1 . . . A 13 ASP HA . 11486 1 76 . 1 1 13 13 ASP HB2 H 1 2.175 0.030 . 2 . . . A 13 ASP HB2 . 11486 1 77 . 1 1 13 13 ASP HB3 H 1 1.566 0.030 . 2 . . . A 13 ASP HB3 . 11486 1 78 . 1 1 13 13 ASP C C 13 176.647 0.300 . 1 . . . A 13 ASP C . 11486 1 79 . 1 1 13 13 ASP CA C 13 55.946 0.300 . 1 . . . A 13 ASP CA . 11486 1 80 . 1 1 13 13 ASP CB C 13 41.156 0.300 . 1 . . . A 13 ASP CB . 11486 1 81 . 1 1 13 13 ASP N N 15 125.656 0.300 . 1 . . . A 13 ASP N . 11486 1 82 . 1 1 14 14 TYR H H 1 9.824 0.030 . 1 . . . A 14 TYR H . 11486 1 83 . 1 1 14 14 TYR HA H 1 4.505 0.030 . 1 . . . A 14 TYR HA . 11486 1 84 . 1 1 14 14 TYR HB2 H 1 2.634 0.030 . 2 . . . A 14 TYR HB2 . 11486 1 85 . 1 1 14 14 TYR HB3 H 1 1.305 0.030 . 2 . . . A 14 TYR HB3 . 11486 1 86 . 1 1 14 14 TYR HD1 H 1 6.908 0.030 . 1 . . . A 14 TYR HD1 . 11486 1 87 . 1 1 14 14 TYR HD2 H 1 6.908 0.030 . 1 . . . A 14 TYR HD2 . 11486 1 88 . 1 1 14 14 TYR HE1 H 1 6.802 0.030 . 1 . . . A 14 TYR HE1 . 11486 1 89 . 1 1 14 14 TYR HE2 H 1 6.802 0.030 . 1 . . . A 14 TYR HE2 . 11486 1 90 . 1 1 14 14 TYR C C 13 174.943 0.300 . 1 . . . A 14 TYR C . 11486 1 91 . 1 1 14 14 TYR CA C 13 57.720 0.300 . 1 . . . A 14 TYR CA . 11486 1 92 . 1 1 14 14 TYR CB C 13 38.238 0.300 . 1 . . . A 14 TYR CB . 11486 1 93 . 1 1 14 14 TYR CD1 C 13 132.814 0.300 . 1 . . . A 14 TYR CD1 . 11486 1 94 . 1 1 14 14 TYR CD2 C 13 132.814 0.300 . 1 . . . A 14 TYR CD2 . 11486 1 95 . 1 1 14 14 TYR CE1 C 13 118.108 0.300 . 1 . . . A 14 TYR CE1 . 11486 1 96 . 1 1 14 14 TYR CE2 C 13 118.108 0.300 . 1 . . . A 14 TYR CE2 . 11486 1 97 . 1 1 14 14 TYR N N 15 120.666 0.300 . 1 . . . A 14 TYR N . 11486 1 98 . 1 1 15 15 CYS H H 1 7.990 0.030 . 1 . . . A 15 CYS H . 11486 1 99 . 1 1 15 15 CYS HA H 1 5.004 0.030 . 1 . . . A 15 CYS HA . 11486 1 100 . 1 1 15 15 CYS HB2 H 1 3.472 0.030 . 2 . . . A 15 CYS HB2 . 11486 1 101 . 1 1 15 15 CYS HB3 H 1 3.346 0.030 . 2 . . . A 15 CYS HB3 . 11486 1 102 . 1 1 15 15 CYS C C 13 173.430 0.300 . 1 . . . A 15 CYS C . 11486 1 103 . 1 1 15 15 CYS CA C 13 58.601 0.300 . 1 . . . A 15 CYS CA . 11486 1 104 . 1 1 15 15 CYS CB C 13 30.147 0.300 . 1 . . . A 15 CYS CB . 11486 1 105 . 1 1 15 15 CYS N N 15 119.744 0.300 . 1 . . . A 15 CYS N . 11486 1 106 . 1 1 16 16 SER H H 1 8.133 0.030 . 1 . . . A 16 SER H . 11486 1 107 . 1 1 16 16 SER HA H 1 4.547 0.030 . 1 . . . A 16 SER HA . 11486 1 108 . 1 1 16 16 SER HB2 H 1 4.140 0.030 . 2 . . . A 16 SER HB2 . 11486 1 109 . 1 1 16 16 SER HB3 H 1 3.950 0.030 . 2 . . . A 16 SER HB3 . 11486 1 110 . 1 1 16 16 SER C C 13 174.025 0.300 . 1 . . . A 16 SER C . 11486 1 111 . 1 1 16 16 SER CA C 13 59.653 0.300 . 1 . . . A 16 SER CA . 11486 1 112 . 1 1 16 16 SER CB C 13 63.685 0.300 . 1 . . . A 16 SER CB . 11486 1 113 . 1 1 16 16 SER N N 15 111.535 0.300 . 1 . . . A 16 SER N . 11486 1 114 . 1 1 17 17 PHE H H 1 9.210 0.030 . 1 . . . A 17 PHE H . 11486 1 115 . 1 1 17 17 PHE HA H 1 4.297 0.030 . 1 . . . A 17 PHE HA . 11486 1 116 . 1 1 17 17 PHE HB2 H 1 3.016 0.030 . 2 . . . A 17 PHE HB2 . 11486 1 117 . 1 1 17 17 PHE HB3 H 1 2.268 0.030 . 2 . . . A 17 PHE HB3 . 11486 1 118 . 1 1 17 17 PHE HD1 H 1 6.655 0.030 . 1 . . . A 17 PHE HD1 . 11486 1 119 . 1 1 17 17 PHE HD2 H 1 6.655 0.030 . 1 . . . A 17 PHE HD2 . 11486 1 120 . 1 1 17 17 PHE HE1 H 1 7.185 0.030 . 1 . . . A 17 PHE HE1 . 11486 1 121 . 1 1 17 17 PHE HE2 H 1 7.185 0.030 . 1 . . . A 17 PHE HE2 . 11486 1 122 . 1 1 17 17 PHE HZ H 1 6.972 0.030 . 1 . . . A 17 PHE HZ . 11486 1 123 . 1 1 17 17 PHE C C 13 174.548 0.300 . 1 . . . A 17 PHE C . 11486 1 124 . 1 1 17 17 PHE CA C 13 60.553 0.300 . 1 . . . A 17 PHE CA . 11486 1 125 . 1 1 17 17 PHE CB C 13 41.329 0.300 . 1 . . . A 17 PHE CB . 11486 1 126 . 1 1 17 17 PHE CD1 C 13 131.221 0.300 . 1 . . . A 17 PHE CD1 . 11486 1 127 . 1 1 17 17 PHE CD2 C 13 131.221 0.300 . 1 . . . A 17 PHE CD2 . 11486 1 128 . 1 1 17 17 PHE CE1 C 13 130.347 0.300 . 1 . . . A 17 PHE CE1 . 11486 1 129 . 1 1 17 17 PHE CE2 C 13 130.347 0.300 . 1 . . . A 17 PHE CE2 . 11486 1 130 . 1 1 17 17 PHE CZ C 13 129.440 0.300 . 1 . . . A 17 PHE CZ . 11486 1 131 . 1 1 17 17 PHE N N 15 127.947 0.300 . 1 . . . A 17 PHE N . 11486 1 132 . 1 1 18 18 THR H H 1 7.139 0.030 . 1 . . . A 18 THR H . 11486 1 133 . 1 1 18 18 THR HA H 1 4.965 0.030 . 1 . . . A 18 THR HA . 11486 1 134 . 1 1 18 18 THR HB H 1 3.912 0.030 . 1 . . . A 18 THR HB . 11486 1 135 . 1 1 18 18 THR HG21 H 1 1.119 0.030 . 1 . . . A 18 THR HG21 . 11486 1 136 . 1 1 18 18 THR HG22 H 1 1.119 0.030 . 1 . . . A 18 THR HG22 . 11486 1 137 . 1 1 18 18 THR HG23 H 1 1.119 0.030 . 1 . . . A 18 THR HG23 . 11486 1 138 . 1 1 18 18 THR C C 13 171.853 0.300 . 1 . . . A 18 THR C . 11486 1 139 . 1 1 18 18 THR CA C 13 59.240 0.300 . 1 . . . A 18 THR CA . 11486 1 140 . 1 1 18 18 THR CB C 13 72.594 0.300 . 1 . . . A 18 THR CB . 11486 1 141 . 1 1 18 18 THR CG2 C 13 21.452 0.300 . 1 . . . A 18 THR CG2 . 11486 1 142 . 1 1 18 18 THR N N 15 117.981 0.300 . 1 . . . A 18 THR N . 11486 1 143 . 1 1 19 19 CYS H H 1 8.648 0.030 . 1 . . . A 19 CYS H . 11486 1 144 . 1 1 19 19 CYS HA H 1 4.802 0.030 . 1 . . . A 19 CYS HA . 11486 1 145 . 1 1 19 19 CYS HB2 H 1 2.821 0.030 . 2 . . . A 19 CYS HB2 . 11486 1 146 . 1 1 19 19 CYS HB3 H 1 3.200 0.030 . 2 . . . A 19 CYS HB3 . 11486 1 147 . 1 1 19 19 CYS C C 13 173.604 0.300 . 1 . . . A 19 CYS C . 11486 1 148 . 1 1 19 19 CYS CA C 13 56.705 0.300 . 1 . . . A 19 CYS CA . 11486 1 149 . 1 1 19 19 CYS CB C 13 30.516 0.300 . 1 . . . A 19 CYS CB . 11486 1 150 . 1 1 19 19 CYS N N 15 113.707 0.300 . 1 . . . A 19 CYS N . 11486 1 151 . 1 1 20 20 LEU HA H 1 4.846 0.030 . 1 . . . A 20 LEU HA . 11486 1 152 . 1 1 20 20 LEU HB2 H 1 1.838 0.030 . 2 . . . A 20 LEU HB2 . 11486 1 153 . 1 1 20 20 LEU HB3 H 1 1.700 0.030 . 2 . . . A 20 LEU HB3 . 11486 1 154 . 1 1 20 20 LEU HG H 1 1.626 0.030 . 1 . . . A 20 LEU HG . 11486 1 155 . 1 1 20 20 LEU HD11 H 1 0.913 0.030 . 1 . . . A 20 LEU HD11 . 11486 1 156 . 1 1 20 20 LEU HD12 H 1 0.913 0.030 . 1 . . . A 20 LEU HD12 . 11486 1 157 . 1 1 20 20 LEU HD13 H 1 0.913 0.030 . 1 . . . A 20 LEU HD13 . 11486 1 158 . 1 1 20 20 LEU HD21 H 1 0.837 0.030 . 1 . . . A 20 LEU HD21 . 11486 1 159 . 1 1 20 20 LEU HD22 H 1 0.837 0.030 . 1 . . . A 20 LEU HD22 . 11486 1 160 . 1 1 20 20 LEU HD23 H 1 0.837 0.030 . 1 . . . A 20 LEU HD23 . 11486 1 161 . 1 1 20 20 LEU C C 13 176.970 0.300 . 1 . . . A 20 LEU C . 11486 1 162 . 1 1 20 20 LEU CA C 13 55.422 0.300 . 1 . . . A 20 LEU CA . 11486 1 163 . 1 1 20 20 LEU CB C 13 42.968 0.300 . 1 . . . A 20 LEU CB . 11486 1 164 . 1 1 20 20 LEU CG C 13 27.155 0.300 . 1 . . . A 20 LEU CG . 11486 1 165 . 1 1 20 20 LEU CD1 C 13 25.236 0.300 . 2 . . . A 20 LEU CD1 . 11486 1 166 . 1 1 20 20 LEU CD2 C 13 23.145 0.300 . 2 . . . A 20 LEU CD2 . 11486 1 167 . 1 1 21 21 SER H H 1 7.570 0.030 . 1 . . . A 21 SER H . 11486 1 168 . 1 1 21 21 SER HA H 1 4.620 0.030 . 1 . . . A 21 SER HA . 11486 1 169 . 1 1 21 21 SER HB2 H 1 3.880 0.030 . 2 . . . A 21 SER HB2 . 11486 1 170 . 1 1 21 21 SER HB3 H 1 3.674 0.030 . 2 . . . A 21 SER HB3 . 11486 1 171 . 1 1 21 21 SER C C 13 173.710 0.300 . 1 . . . A 21 SER C . 11486 1 172 . 1 1 21 21 SER CA C 13 56.691 0.300 . 1 . . . A 21 SER CA . 11486 1 173 . 1 1 21 21 SER CB C 13 65.870 0.300 . 1 . . . A 21 SER CB . 11486 1 174 . 1 1 21 21 SER N N 15 112.185 0.300 . 1 . . . A 21 SER N . 11486 1 175 . 1 1 22 22 LYS H H 1 8.552 0.030 . 1 . . . A 22 LYS H . 11486 1 176 . 1 1 22 22 LYS HA H 1 3.220 0.030 . 1 . . . A 22 LYS HA . 11486 1 177 . 1 1 22 22 LYS HB2 H 1 1.509 0.030 . 2 . . . A 22 LYS HB2 . 11486 1 178 . 1 1 22 22 LYS HB3 H 1 1.411 0.030 . 2 . . . A 22 LYS HB3 . 11486 1 179 . 1 1 22 22 LYS HG2 H 1 1.075 0.030 . 1 . . . A 22 LYS HG2 . 11486 1 180 . 1 1 22 22 LYS HG3 H 1 1.075 0.030 . 1 . . . A 22 LYS HG3 . 11486 1 181 . 1 1 22 22 LYS HD2 H 1 1.584 0.030 . 2 . . . A 22 LYS HD2 . 11486 1 182 . 1 1 22 22 LYS HE2 H 1 2.934 0.030 . 2 . . . A 22 LYS HE2 . 11486 1 183 . 1 1 22 22 LYS C C 13 179.263 0.300 . 1 . . . A 22 LYS C . 11486 1 184 . 1 1 22 22 LYS CA C 13 59.128 0.300 . 1 . . . A 22 LYS CA . 11486 1 185 . 1 1 22 22 LYS CB C 13 31.979 0.300 . 1 . . . A 22 LYS CB . 11486 1 186 . 1 1 22 22 LYS CG C 13 25.162 0.300 . 1 . . . A 22 LYS CG . 11486 1 187 . 1 1 22 22 LYS CE C 13 42.083 0.300 . 1 . . . A 22 LYS CE . 11486 1 188 . 1 1 22 22 LYS N N 15 125.705 0.300 . 1 . . . A 22 LYS N . 11486 1 189 . 1 1 23 23 GLY HA2 H 1 3.839 0.030 . 2 . . . A 23 GLY HA2 . 11486 1 190 . 1 1 23 23 GLY HA3 H 1 3.775 0.030 . 2 . . . A 23 GLY HA3 . 11486 1 191 . 1 1 23 23 GLY C C 13 176.736 0.300 . 1 . . . A 23 GLY C . 11486 1 192 . 1 1 23 23 GLY CA C 13 47.011 0.300 . 1 . . . A 23 GLY CA . 11486 1 193 . 1 1 24 24 HIS H H 1 7.662 0.030 . 1 . . . A 24 HIS H . 11486 1 194 . 1 1 24 24 HIS HA H 1 4.531 0.030 . 1 . . . A 24 HIS HA . 11486 1 195 . 1 1 24 24 HIS HB2 H 1 3.294 0.030 . 1 . . . A 24 HIS HB2 . 11486 1 196 . 1 1 24 24 HIS HB3 H 1 3.294 0.030 . 1 . . . A 24 HIS HB3 . 11486 1 197 . 1 1 24 24 HIS HD2 H 1 7.082 0.030 . 1 . . . A 24 HIS HD2 . 11486 1 198 . 1 1 24 24 HIS C C 13 178.436 0.300 . 1 . . . A 24 HIS C . 11486 1 199 . 1 1 24 24 HIS CA C 13 58.330 0.300 . 1 . . . A 24 HIS CA . 11486 1 200 . 1 1 24 24 HIS CB C 13 31.660 0.300 . 1 . . . A 24 HIS CB . 11486 1 201 . 1 1 24 24 HIS CD2 C 13 117.362 0.300 . 1 . . . A 24 HIS CD2 . 11486 1 202 . 1 1 24 24 HIS N N 15 121.219 0.300 . 1 . . . A 24 HIS N . 11486 1 203 . 1 1 25 25 LEU H H 1 7.716 0.030 . 1 . . . A 25 LEU H . 11486 1 204 . 1 1 25 25 LEU HA H 1 4.348 0.030 . 1 . . . A 25 LEU HA . 11486 1 205 . 1 1 25 25 LEU HB2 H 1 2.074 0.030 . 2 . . . A 25 LEU HB2 . 11486 1 206 . 1 1 25 25 LEU HB3 H 1 1.373 0.030 . 2 . . . A 25 LEU HB3 . 11486 1 207 . 1 1 25 25 LEU HG H 1 1.826 0.030 . 1 . . . A 25 LEU HG . 11486 1 208 . 1 1 25 25 LEU HD11 H 1 1.070 0.030 . 1 . . . A 25 LEU HD11 . 11486 1 209 . 1 1 25 25 LEU HD12 H 1 1.070 0.030 . 1 . . . A 25 LEU HD12 . 11486 1 210 . 1 1 25 25 LEU HD13 H 1 1.070 0.030 . 1 . . . A 25 LEU HD13 . 11486 1 211 . 1 1 25 25 LEU HD21 H 1 1.011 0.030 . 1 . . . A 25 LEU HD21 . 11486 1 212 . 1 1 25 25 LEU HD22 H 1 1.011 0.030 . 1 . . . A 25 LEU HD22 . 11486 1 213 . 1 1 25 25 LEU HD23 H 1 1.011 0.030 . 1 . . . A 25 LEU HD23 . 11486 1 214 . 1 1 25 25 LEU C C 13 177.529 0.300 . 1 . . . A 25 LEU C . 11486 1 215 . 1 1 25 25 LEU CA C 13 58.081 0.300 . 1 . . . A 25 LEU CA . 11486 1 216 . 1 1 25 25 LEU CB C 13 41.338 0.300 . 1 . . . A 25 LEU CB . 11486 1 217 . 1 1 25 25 LEU CG C 13 26.829 0.300 . 1 . . . A 25 LEU CG . 11486 1 218 . 1 1 25 25 LEU CD1 C 13 22.368 0.300 . 2 . . . A 25 LEU CD1 . 11486 1 219 . 1 1 25 25 LEU CD2 C 13 26.380 0.300 . 2 . . . A 25 LEU CD2 . 11486 1 220 . 1 1 25 25 LEU N N 15 123.617 0.300 . 1 . . . A 25 LEU N . 11486 1 221 . 1 1 26 26 LYS H H 1 7.954 0.030 . 1 . . . A 26 LYS H . 11486 1 222 . 1 1 26 26 LYS HA H 1 3.993 0.030 . 1 . . . A 26 LYS HA . 11486 1 223 . 1 1 26 26 LYS HB2 H 1 1.968 0.030 . 1 . . . A 26 LYS HB2 . 11486 1 224 . 1 1 26 26 LYS HB3 H 1 1.968 0.030 . 1 . . . A 26 LYS HB3 . 11486 1 225 . 1 1 26 26 LYS HG2 H 1 1.395 0.030 . 2 . . . A 26 LYS HG2 . 11486 1 226 . 1 1 26 26 LYS HG3 H 1 1.548 0.030 . 2 . . . A 26 LYS HG3 . 11486 1 227 . 1 1 26 26 LYS HD2 H 1 1.677 0.030 . 2 . . . A 26 LYS HD2 . 11486 1 228 . 1 1 26 26 LYS HE2 H 1 2.974 0.030 . 2 . . . A 26 LYS HE2 . 11486 1 229 . 1 1 26 26 LYS C C 13 178.928 0.300 . 1 . . . A 26 LYS C . 11486 1 230 . 1 1 26 26 LYS CA C 13 60.149 0.300 . 1 . . . A 26 LYS CA . 11486 1 231 . 1 1 26 26 LYS CB C 13 32.579 0.300 . 1 . . . A 26 LYS CB . 11486 1 232 . 1 1 26 26 LYS CG C 13 24.889 0.300 . 1 . . . A 26 LYS CG . 11486 1 233 . 1 1 26 26 LYS CD C 13 29.632 0.300 . 1 . . . A 26 LYS CD . 11486 1 234 . 1 1 26 26 LYS CE C 13 42.135 0.300 . 1 . . . A 26 LYS CE . 11486 1 235 . 1 1 26 26 LYS N N 15 119.326 0.300 . 1 . . . A 26 LYS N . 11486 1 236 . 1 1 27 27 VAL H H 1 7.422 0.030 . 1 . . . A 27 VAL H . 11486 1 237 . 1 1 27 27 VAL HA H 1 3.779 0.030 . 1 . . . A 27 VAL HA . 11486 1 238 . 1 1 27 27 VAL HB H 1 2.103 0.030 . 1 . . . A 27 VAL HB . 11486 1 239 . 1 1 27 27 VAL HG11 H 1 1.083 0.030 . 1 . . . A 27 VAL HG11 . 11486 1 240 . 1 1 27 27 VAL HG12 H 1 1.083 0.030 . 1 . . . A 27 VAL HG12 . 11486 1 241 . 1 1 27 27 VAL HG13 H 1 1.083 0.030 . 1 . . . A 27 VAL HG13 . 11486 1 242 . 1 1 27 27 VAL HG21 H 1 0.956 0.030 . 1 . . . A 27 VAL HG21 . 11486 1 243 . 1 1 27 27 VAL HG22 H 1 0.956 0.030 . 1 . . . A 27 VAL HG22 . 11486 1 244 . 1 1 27 27 VAL HG23 H 1 0.956 0.030 . 1 . . . A 27 VAL HG23 . 11486 1 245 . 1 1 27 27 VAL C C 13 177.531 0.300 . 1 . . . A 27 VAL C . 11486 1 246 . 1 1 27 27 VAL CA C 13 66.038 0.300 . 1 . . . A 27 VAL CA . 11486 1 247 . 1 1 27 27 VAL CB C 13 31.985 0.300 . 1 . . . A 27 VAL CB . 11486 1 248 . 1 1 27 27 VAL CG1 C 13 22.609 0.300 . 2 . . . A 27 VAL CG1 . 11486 1 249 . 1 1 27 27 VAL CG2 C 13 21.039 0.300 . 2 . . . A 27 VAL CG2 . 11486 1 250 . 1 1 27 27 VAL N N 15 117.699 0.300 . 1 . . . A 27 VAL N . 11486 1 251 . 1 1 28 28 HIS H H 1 7.794 0.030 . 1 . . . A 28 HIS H . 11486 1 252 . 1 1 28 28 HIS HA H 1 4.038 0.030 . 1 . . . A 28 HIS HA . 11486 1 253 . 1 1 28 28 HIS HB2 H 1 3.443 0.030 . 2 . . . A 28 HIS HB2 . 11486 1 254 . 1 1 28 28 HIS HB3 H 1 2.579 0.030 . 2 . . . A 28 HIS HB3 . 11486 1 255 . 1 1 28 28 HIS HD2 H 1 7.129 0.030 . 1 . . . A 28 HIS HD2 . 11486 1 256 . 1 1 28 28 HIS HE1 H 1 7.479 0.030 . 1 . . . A 28 HIS HE1 . 11486 1 257 . 1 1 28 28 HIS C C 13 176.516 0.300 . 1 . . . A 28 HIS C . 11486 1 258 . 1 1 28 28 HIS CA C 13 59.942 0.300 . 1 . . . A 28 HIS CA . 11486 1 259 . 1 1 28 28 HIS CB C 13 28.097 0.300 . 1 . . . A 28 HIS CB . 11486 1 260 . 1 1 28 28 HIS CD2 C 13 127.189 0.300 . 1 . . . A 28 HIS CD2 . 11486 1 261 . 1 1 28 28 HIS CE1 C 13 138.522 0.300 . 1 . . . A 28 HIS CE1 . 11486 1 262 . 1 1 28 28 HIS N N 15 119.139 0.300 . 1 . . . A 28 HIS N . 11486 1 263 . 1 1 29 29 ILE H H 1 8.712 0.030 . 1 . . . A 29 ILE H . 11486 1 264 . 1 1 29 29 ILE HA H 1 3.463 0.030 . 1 . . . A 29 ILE HA . 11486 1 265 . 1 1 29 29 ILE HB H 1 2.033 0.030 . 1 . . . A 29 ILE HB . 11486 1 266 . 1 1 29 29 ILE HG12 H 1 2.309 0.030 . 2 . . . A 29 ILE HG12 . 11486 1 267 . 1 1 29 29 ILE HG13 H 1 1.578 0.030 . 2 . . . A 29 ILE HG13 . 11486 1 268 . 1 1 29 29 ILE HG21 H 1 1.071 0.030 . 1 . . . A 29 ILE HG21 . 11486 1 269 . 1 1 29 29 ILE HG22 H 1 1.071 0.030 . 1 . . . A 29 ILE HG22 . 11486 1 270 . 1 1 29 29 ILE HG23 H 1 1.071 0.030 . 1 . . . A 29 ILE HG23 . 11486 1 271 . 1 1 29 29 ILE HD11 H 1 1.206 0.030 . 1 . . . A 29 ILE HD11 . 11486 1 272 . 1 1 29 29 ILE HD12 H 1 1.206 0.030 . 1 . . . A 29 ILE HD12 . 11486 1 273 . 1 1 29 29 ILE HD13 H 1 1.206 0.030 . 1 . . . A 29 ILE HD13 . 11486 1 274 . 1 1 29 29 ILE C C 13 178.571 0.300 . 1 . . . A 29 ILE C . 11486 1 275 . 1 1 29 29 ILE CA C 13 66.723 0.300 . 1 . . . A 29 ILE CA . 11486 1 276 . 1 1 29 29 ILE CB C 13 38.385 0.300 . 1 . . . A 29 ILE CB . 11486 1 277 . 1 1 29 29 ILE CG1 C 13 31.106 0.300 . 1 . . . A 29 ILE CG1 . 11486 1 278 . 1 1 29 29 ILE CG2 C 13 18.091 0.300 . 1 . . . A 29 ILE CG2 . 11486 1 279 . 1 1 29 29 ILE CD1 C 13 14.461 0.300 . 1 . . . A 29 ILE CD1 . 11486 1 280 . 1 1 29 29 ILE N N 15 118.845 0.300 . 1 . . . A 29 ILE N . 11486 1 281 . 1 1 30 30 GLU H H 1 7.936 0.030 . 1 . . . A 30 GLU H . 11486 1 282 . 1 1 30 30 GLU HA H 1 3.914 0.030 . 1 . . . A 30 GLU HA . 11486 1 283 . 1 1 30 30 GLU HB2 H 1 2.122 0.030 . 2 . . . A 30 GLU HB2 . 11486 1 284 . 1 1 30 30 GLU HB3 H 1 1.989 0.030 . 2 . . . A 30 GLU HB3 . 11486 1 285 . 1 1 30 30 GLU HG2 H 1 2.429 0.030 . 2 . . . A 30 GLU HG2 . 11486 1 286 . 1 1 30 30 GLU HG3 H 1 2.205 0.030 . 2 . . . A 30 GLU HG3 . 11486 1 287 . 1 1 30 30 GLU C C 13 178.088 0.300 . 1 . . . A 30 GLU C . 11486 1 288 . 1 1 30 30 GLU CA C 13 59.263 0.300 . 1 . . . A 30 GLU CA . 11486 1 289 . 1 1 30 30 GLU CB C 13 29.763 0.300 . 1 . . . A 30 GLU CB . 11486 1 290 . 1 1 30 30 GLU CG C 13 36.510 0.300 . 1 . . . A 30 GLU CG . 11486 1 291 . 1 1 30 30 GLU N N 15 118.270 0.300 . 1 . . . A 30 GLU N . 11486 1 292 . 1 1 31 31 ARG H H 1 8.200 0.030 . 1 . . . A 31 ARG H . 11486 1 293 . 1 1 31 31 ARG HA H 1 4.064 0.030 . 1 . . . A 31 ARG HA . 11486 1 294 . 1 1 31 31 ARG HB2 H 1 1.805 0.030 . 2 . . . A 31 ARG HB2 . 11486 1 295 . 1 1 31 31 ARG HB3 H 1 1.708 0.030 . 2 . . . A 31 ARG HB3 . 11486 1 296 . 1 1 31 31 ARG HG2 H 1 1.545 0.030 . 2 . . . A 31 ARG HG2 . 11486 1 297 . 1 1 31 31 ARG HG3 H 1 1.757 0.030 . 2 . . . A 31 ARG HG3 . 11486 1 298 . 1 1 31 31 ARG HD2 H 1 3.067 0.030 . 1 . . . A 31 ARG HD2 . 11486 1 299 . 1 1 31 31 ARG HD3 H 1 3.067 0.030 . 1 . . . A 31 ARG HD3 . 11486 1 300 . 1 1 31 31 ARG C C 13 176.420 0.300 . 1 . . . A 31 ARG C . 11486 1 301 . 1 1 31 31 ARG CA C 13 58.513 0.300 . 1 . . . A 31 ARG CA . 11486 1 302 . 1 1 31 31 ARG CB C 13 31.127 0.300 . 1 . . . A 31 ARG CB . 11486 1 303 . 1 1 31 31 ARG CG C 13 27.656 0.300 . 1 . . . A 31 ARG CG . 11486 1 304 . 1 1 31 31 ARG CD C 13 43.374 0.300 . 1 . . . A 31 ARG CD . 11486 1 305 . 1 1 31 31 ARG N N 15 116.068 0.300 . 1 . . . A 31 ARG N . 11486 1 306 . 1 1 32 32 VAL HA H 1 3.647 0.030 . 1 . . . A 32 VAL HA . 11486 1 307 . 1 1 32 32 VAL HB H 1 0.697 0.030 . 1 . . . A 32 VAL HB . 11486 1 308 . 1 1 32 32 VAL HG11 H 1 0.487 0.030 . 1 . . . A 32 VAL HG11 . 11486 1 309 . 1 1 32 32 VAL HG12 H 1 0.487 0.030 . 1 . . . A 32 VAL HG12 . 11486 1 310 . 1 1 32 32 VAL HG13 H 1 0.487 0.030 . 1 . . . A 32 VAL HG13 . 11486 1 311 . 1 1 32 32 VAL HG21 H 1 0.201 0.030 . 1 . . . A 32 VAL HG21 . 11486 1 312 . 1 1 32 32 VAL HG22 H 1 0.201 0.030 . 1 . . . A 32 VAL HG22 . 11486 1 313 . 1 1 32 32 VAL HG23 H 1 0.201 0.030 . 1 . . . A 32 VAL HG23 . 11486 1 314 . 1 1 32 32 VAL C C 13 176.440 0.300 . 1 . . . A 32 VAL C . 11486 1 315 . 1 1 32 32 VAL CA C 13 64.282 0.300 . 1 . . . A 32 VAL CA . 11486 1 316 . 1 1 32 32 VAL CB C 13 32.330 0.300 . 1 . . . A 32 VAL CB . 11486 1 317 . 1 1 32 32 VAL CG1 C 13 22.388 0.300 . 2 . . . A 32 VAL CG1 . 11486 1 318 . 1 1 32 32 VAL CG2 C 13 21.028 0.300 . 2 . . . A 32 VAL CG2 . 11486 1 319 . 1 1 33 33 HIS H H 1 7.153 0.030 . 1 . . . A 33 HIS H . 11486 1 320 . 1 1 33 33 HIS HA H 1 4.840 0.030 . 1 . . . A 33 HIS HA . 11486 1 321 . 1 1 33 33 HIS HB2 H 1 2.998 0.030 . 2 . . . A 33 HIS HB2 . 11486 1 322 . 1 1 33 33 HIS HB3 H 1 2.810 0.030 . 2 . . . A 33 HIS HB3 . 11486 1 323 . 1 1 33 33 HIS HD2 H 1 6.629 0.030 . 1 . . . A 33 HIS HD2 . 11486 1 324 . 1 1 33 33 HIS HE1 H 1 7.916 0.030 . 1 . . . A 33 HIS HE1 . 11486 1 325 . 1 1 33 33 HIS C C 13 174.467 0.300 . 1 . . . A 33 HIS C . 11486 1 326 . 1 1 33 33 HIS CA C 13 54.384 0.300 . 1 . . . A 33 HIS CA . 11486 1 327 . 1 1 33 33 HIS CB C 13 28.387 0.300 . 1 . . . A 33 HIS CB . 11486 1 328 . 1 1 33 33 HIS CD2 C 13 127.705 0.300 . 1 . . . A 33 HIS CD2 . 11486 1 329 . 1 1 33 33 HIS CE1 C 13 139.965 0.300 . 1 . . . A 33 HIS CE1 . 11486 1 330 . 1 1 33 33 HIS N N 15 115.363 0.300 . 1 . . . A 33 HIS N . 11486 1 331 . 1 1 34 34 LYS H H 1 7.392 0.030 . 1 . . . A 34 LYS H . 11486 1 332 . 1 1 34 34 LYS HA H 1 4.187 0.030 . 1 . . . A 34 LYS HA . 11486 1 333 . 1 1 34 34 LYS HB2 H 1 1.840 0.030 . 1 . . . A 34 LYS HB2 . 11486 1 334 . 1 1 34 34 LYS HB3 H 1 1.840 0.030 . 1 . . . A 34 LYS HB3 . 11486 1 335 . 1 1 34 34 LYS HG2 H 1 1.308 0.030 . 2 . . . A 34 LYS HG2 . 11486 1 336 . 1 1 34 34 LYS HG3 H 1 1.270 0.030 . 2 . . . A 34 LYS HG3 . 11486 1 337 . 1 1 34 34 LYS HD2 H 1 1.607 0.030 . 1 . . . A 34 LYS HD2 . 11486 1 338 . 1 1 34 34 LYS HD3 H 1 1.607 0.030 . 1 . . . A 34 LYS HD3 . 11486 1 339 . 1 1 34 34 LYS HE2 H 1 2.933 0.030 . 2 . . . A 34 LYS HE2 . 11486 1 340 . 1 1 34 34 LYS C C 13 176.059 0.300 . 1 . . . A 34 LYS C . 11486 1 341 . 1 1 34 34 LYS CA C 13 56.736 0.300 . 1 . . . A 34 LYS CA . 11486 1 342 . 1 1 34 34 LYS CB C 13 31.547 0.300 . 1 . . . A 34 LYS CB . 11486 1 343 . 1 1 34 34 LYS CG C 13 24.748 0.300 . 1 . . . A 34 LYS CG . 11486 1 344 . 1 1 34 34 LYS CD C 13 29.090 0.300 . 1 . . . A 34 LYS CD . 11486 1 345 . 1 1 34 34 LYS CE C 13 42.299 0.300 . 1 . . . A 34 LYS CE . 11486 1 346 . 1 1 34 34 LYS N N 15 118.280 0.300 . 1 . . . A 34 LYS N . 11486 1 347 . 1 1 35 35 LYS H H 1 7.760 0.030 . 1 . . . A 35 LYS H . 11486 1 348 . 1 1 35 35 LYS HA H 1 4.333 0.030 . 1 . . . A 35 LYS HA . 11486 1 349 . 1 1 35 35 LYS HB2 H 1 1.752 0.030 . 2 . . . A 35 LYS HB2 . 11486 1 350 . 1 1 35 35 LYS HB3 H 1 1.596 0.030 . 2 . . . A 35 LYS HB3 . 11486 1 351 . 1 1 35 35 LYS HG2 H 1 1.253 0.030 . 2 . . . A 35 LYS HG2 . 11486 1 352 . 1 1 35 35 LYS HD2 H 1 1.502 0.030 . 2 . . . A 35 LYS HD2 . 11486 1 353 . 1 1 35 35 LYS HE2 H 1 2.854 0.030 . 2 . . . A 35 LYS HE2 . 11486 1 354 . 1 1 35 35 LYS C C 13 176.014 0.300 . 1 . . . A 35 LYS C . 11486 1 355 . 1 1 35 35 LYS CA C 13 55.706 0.300 . 1 . . . A 35 LYS CA . 11486 1 356 . 1 1 35 35 LYS CB C 13 33.056 0.300 . 1 . . . A 35 LYS CB . 11486 1 357 . 1 1 35 35 LYS CG C 13 24.627 0.300 . 1 . . . A 35 LYS CG . 11486 1 358 . 1 1 35 35 LYS CD C 13 29.128 0.300 . 1 . . . A 35 LYS CD . 11486 1 359 . 1 1 35 35 LYS CE C 13 42.107 0.300 . 1 . . . A 35 LYS CE . 11486 1 360 . 1 1 35 35 LYS N N 15 119.974 0.300 . 1 . . . A 35 LYS N . 11486 1 361 . 1 1 36 36 ILE H H 1 8.127 0.030 . 1 . . . A 36 ILE H . 11486 1 362 . 1 1 36 36 ILE HA H 1 4.122 0.030 . 1 . . . A 36 ILE HA . 11486 1 363 . 1 1 36 36 ILE HB H 1 1.823 0.030 . 1 . . . A 36 ILE HB . 11486 1 364 . 1 1 36 36 ILE HG12 H 1 1.352 0.030 . 2 . . . A 36 ILE HG12 . 11486 1 365 . 1 1 36 36 ILE HG13 H 1 1.094 0.030 . 2 . . . A 36 ILE HG13 . 11486 1 366 . 1 1 36 36 ILE HG21 H 1 0.833 0.030 . 1 . . . A 36 ILE HG21 . 11486 1 367 . 1 1 36 36 ILE HG22 H 1 0.833 0.030 . 1 . . . A 36 ILE HG22 . 11486 1 368 . 1 1 36 36 ILE HG23 H 1 0.833 0.030 . 1 . . . A 36 ILE HG23 . 11486 1 369 . 1 1 36 36 ILE HD11 H 1 0.763 0.030 . 1 . . . A 36 ILE HD11 . 11486 1 370 . 1 1 36 36 ILE HD12 H 1 0.763 0.030 . 1 . . . A 36 ILE HD12 . 11486 1 371 . 1 1 36 36 ILE HD13 H 1 0.763 0.030 . 1 . . . A 36 ILE HD13 . 11486 1 372 . 1 1 36 36 ILE C C 13 175.298 0.300 . 1 . . . A 36 ILE C . 11486 1 373 . 1 1 36 36 ILE CA C 13 61.106 0.300 . 1 . . . A 36 ILE CA . 11486 1 374 . 1 1 36 36 ILE CB C 13 38.721 0.300 . 1 . . . A 36 ILE CB . 11486 1 375 . 1 1 36 36 ILE CG1 C 13 27.107 0.300 . 1 . . . A 36 ILE CG1 . 11486 1 376 . 1 1 36 36 ILE CG2 C 13 17.579 0.300 . 1 . . . A 36 ILE CG2 . 11486 1 377 . 1 1 36 36 ILE CD1 C 13 12.830 0.300 . 1 . . . A 36 ILE CD1 . 11486 1 378 . 1 1 36 36 ILE N N 15 121.573 0.300 . 1 . . . A 36 ILE N . 11486 1 379 . 1 1 37 37 LYS H H 1 7.853 0.030 . 1 . . . A 37 LYS H . 11486 1 380 . 1 1 37 37 LYS HA H 1 4.133 0.030 . 1 . . . A 37 LYS HA . 11486 1 381 . 1 1 37 37 LYS HB2 H 1 1.695 0.030 . 2 . . . A 37 LYS HB2 . 11486 1 382 . 1 1 37 37 LYS HB3 H 1 1.773 0.030 . 2 . . . A 37 LYS HB3 . 11486 1 383 . 1 1 37 37 LYS C C 13 180.867 0.300 . 1 . . . A 37 LYS C . 11486 1 384 . 1 1 37 37 LYS CA C 13 57.646 0.300 . 1 . . . A 37 LYS CA . 11486 1 385 . 1 1 37 37 LYS CB C 13 33.811 0.300 . 1 . . . A 37 LYS CB . 11486 1 386 . 1 1 37 37 LYS N N 15 129.418 0.300 . 1 . . . A 37 LYS N . 11486 1 stop_ save_