data_25934 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25934 _Entry.Title ; Nizp1-C2HR zinc finger structure ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-12-22 _Entry.Accession_date 2015-12-22 _Entry.Last_release_date 2016-02-23 _Entry.Original_release_date 2016-02-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _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.ORCID _Entry_author.Entry_ID 1 Andrea Berardi . . . . 25934 2 Giacomo Quilici . . . . 25934 3 Dimitrios Spiliotopoulos . . . . 25934 4 'Maria Angeles' Corral-Rodriguez . . . . 25934 5 Fernando Martin . . . . 25934 6 Massimo Degano . . . . 25934 7 Giovanni Tonon . . . . 25934 8 Giovanna Musco . . . . 25934 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' . 25934 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID C2HR . 25934 NSD1 . 25934 Nizp1 . 25934 'zinc finger' . 25934 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25934 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 37 25934 '1H chemical shifts' 267 25934 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-07-21 2015-12-22 update BMRB 'update entry citation' 25934 1 . . 2016-02-23 2015-12-22 original author 'original release' 25934 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25933 'NSD1-PHD_5-C5HCH tandem domain' 25934 PDB 2NAB 'BMRB Entry Tracking System' 25934 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25934 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26896805 _Citation.Full_citation . _Citation.Title ; Structural basis for PHDVC5HCHNSD1-C2HRNizp1 interaction: implications for Sotos syndrome ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic Acids Research' _Citation.Journal_volume 44 _Citation.Journal_issue 7 _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 3448 _Citation.Page_last 3463 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Andrea Berardi . . . . 25934 1 2 Giacomo Quilici . . . . 25934 1 3 Dimitrios Spiliotopoulos . . . . 25934 1 4 'Maria Angeles' Corral-Rodriguez . . . . 25934 1 5 Fernando Martin . . . . 25934 1 6 Massimo Degano . . . . 25934 1 7 Giovanni Tonon . . . . 25934 1 8 Giovanna Musco . . . . 25934 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25934 _Assembly.ID 1 _Assembly.Name 'Nizp1-C2HR zinc finger' _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 . . . 25934 1 2 'ZINC ION' 2 $entity_ZN B . no native no no . . . 25934 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 25934 _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 ; GAMEVQTSQKSYVCPNCGKI FRWRVNFIRHLRSRREQKPH K ; _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 41 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4984.875 _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 1 GLY . 25934 1 2 2 ALA . 25934 1 3 3 MET . 25934 1 4 4 GLU . 25934 1 5 5 VAL . 25934 1 6 6 GLN . 25934 1 7 7 THR . 25934 1 8 8 SER . 25934 1 9 9 GLN . 25934 1 10 10 LYS . 25934 1 11 11 SER . 25934 1 12 12 TYR . 25934 1 13 13 VAL . 25934 1 14 14 CYS . 25934 1 15 15 PRO . 25934 1 16 16 ASN . 25934 1 17 17 CYS . 25934 1 18 18 GLY . 25934 1 19 19 LYS . 25934 1 20 20 ILE . 25934 1 21 21 PHE . 25934 1 22 22 ARG . 25934 1 23 23 TRP . 25934 1 24 24 ARG . 25934 1 25 25 VAL . 25934 1 26 26 ASN . 25934 1 27 27 PHE . 25934 1 28 28 ILE . 25934 1 29 29 ARG . 25934 1 30 30 HIS . 25934 1 31 31 LEU . 25934 1 32 32 ARG . 25934 1 33 33 SER . 25934 1 34 34 ARG . 25934 1 35 35 ARG . 25934 1 36 36 GLU . 25934 1 37 37 GLN . 25934 1 38 38 LYS . 25934 1 39 39 PRO . 25934 1 40 40 HIS . 25934 1 41 41 LYS . 25934 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 25934 1 . ALA 2 2 25934 1 . MET 3 3 25934 1 . GLU 4 4 25934 1 . VAL 5 5 25934 1 . GLN 6 6 25934 1 . THR 7 7 25934 1 . SER 8 8 25934 1 . GLN 9 9 25934 1 . LYS 10 10 25934 1 . SER 11 11 25934 1 . TYR 12 12 25934 1 . VAL 13 13 25934 1 . CYS 14 14 25934 1 . PRO 15 15 25934 1 . ASN 16 16 25934 1 . CYS 17 17 25934 1 . GLY 18 18 25934 1 . LYS 19 19 25934 1 . ILE 20 20 25934 1 . PHE 21 21 25934 1 . ARG 22 22 25934 1 . TRP 23 23 25934 1 . ARG 24 24 25934 1 . VAL 25 25 25934 1 . ASN 26 26 25934 1 . PHE 27 27 25934 1 . ILE 28 28 25934 1 . ARG 29 29 25934 1 . HIS 30 30 25934 1 . LEU 31 31 25934 1 . ARG 32 32 25934 1 . SER 33 33 25934 1 . ARG 34 34 25934 1 . ARG 35 35 25934 1 . GLU 36 36 25934 1 . GLN 37 37 25934 1 . LYS 38 38 25934 1 . PRO 39 39 25934 1 . HIS 40 40 25934 1 . LYS 41 41 25934 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 25934 _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 . _Entity.Nonpolymer_comp_label . _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 25934 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 25934 2 ZN 'Three letter code' 25934 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 25934 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 25934 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 25934 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 25934 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pETM41 . . . 25934 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 25934 _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 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _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 25934 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 25934 ZN [Zn++] SMILES CACTVS 3.341 25934 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 25934 ZN [Zn+2] SMILES ACDLabs 10.04 25934 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 25934 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25934 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 25934 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25934 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 . 25934 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25934 _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 'sodium phosphate' '[U-99% 13C; U-99% 15N]' . . . . . . 0.8 . . mM . . . . 25934 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25934 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25934 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25934 _Sample.ID 2 _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 'sodium phosphate' '[U-99% 15N]' . . . . . . 0.8 . . mM . . . . 25934 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25934 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25934 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25934 _Sample.ID 3 _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 'sodium phosphate' 'natural abundance' . . . . . . 0.8 . . mM . . . . 25934 3 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25934 3 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25934 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 25934 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'sodium phosphate' 'natural abundance' . . . . . . 0.8 . . mM . . . . 25934 4 2 H2O 'natural abundance' . . . . . . 100 . . % . . . . 25934 4 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 25934 _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' 0.150 . M 25934 1 pH 6.3 . pH 25934 1 pressure 1 . atm 25934 1 temperature 295 . K 25934 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 25934 _Software.ID 1 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 25934 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25934 1 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 25934 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 25934 _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 . 600 . . . 25934 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 25934 _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 . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25934 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25934 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25934 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25934 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25934 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25934 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25934 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25934 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 25934 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25934 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25934 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25934 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 25934 _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 2 '2D 1H-1H TOCSY' . . . 25934 1 3 '2D 1H-1H TOCSY' . . . 25934 1 4 '2D 1H-1H NOESY' . . . 25934 1 5 '2D 1H-1H NOESY' . . . 25934 1 6 '3D HNCA' . . . 25934 1 7 '3D CBCA(CO)NH' . . . 25934 1 8 '3D HNCO' . . . 25934 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 5 5 VAL H H 1 8.326 0.004 . 1 . . . A 5 VAL H . 25934 1 2 . 1 1 5 5 VAL HA H 1 4.134 0.001 . 1 . . . A 5 VAL HA . 25934 1 3 . 1 1 5 5 VAL HB H 1 2.065 0.000 . 1 . . . A 5 VAL HB . 25934 1 4 . 1 1 5 5 VAL HG11 H 1 0.953 0.003 . 1 . . . A 5 VAL HG11 . 25934 1 5 . 1 1 5 5 VAL HG12 H 1 0.953 0.003 . 1 . . . A 5 VAL HG12 . 25934 1 6 . 1 1 5 5 VAL HG13 H 1 0.953 0.003 . 1 . . . A 5 VAL HG13 . 25934 1 7 . 1 1 5 5 VAL HG21 H 1 0.953 0.003 . 1 . . . A 5 VAL HG21 . 25934 1 8 . 1 1 5 5 VAL HG22 H 1 0.953 0.003 . 1 . . . A 5 VAL HG22 . 25934 1 9 . 1 1 5 5 VAL HG23 H 1 0.953 0.003 . 1 . . . A 5 VAL HG23 . 25934 1 10 . 1 1 5 5 VAL N N 15 122.612 0.000 . 1 . . . A 5 VAL N . 25934 1 11 . 1 1 6 6 GLN H H 1 8.635 0.001 . 1 . . . A 6 GLN H . 25934 1 12 . 1 1 6 6 GLN HA H 1 4.454 0.000 . 1 . . . A 6 GLN HA . 25934 1 13 . 1 1 6 6 GLN HB2 H 1 2.147 0.000 . 2 . . . A 6 GLN HB2 . 25934 1 14 . 1 1 6 6 GLN HB3 H 1 2.016 0.000 . 2 . . . A 6 GLN HB3 . 25934 1 15 . 1 1 6 6 GLN HG2 H 1 2.404 0.000 . 1 . . . A 6 GLN HG2 . 25934 1 16 . 1 1 6 6 GLN HG3 H 1 2.404 0.000 . 1 . . . A 6 GLN HG3 . 25934 1 17 . 1 1 6 6 GLN N N 15 125.548 0.000 . 1 . . . A 6 GLN N . 25934 1 18 . 1 1 7 7 THR H H 1 8.307 0.000 . 1 . . . A 7 THR H . 25934 1 19 . 1 1 7 7 THR HA H 1 4.394 0.000 . 1 . . . A 7 THR HA . 25934 1 20 . 1 1 7 7 THR HB H 1 4.275 0.000 . 1 . . . A 7 THR HB . 25934 1 21 . 1 1 7 7 THR HG21 H 1 1.223 0.000 . 1 . . . A 7 THR HG21 . 25934 1 22 . 1 1 7 7 THR HG22 H 1 1.223 0.000 . 1 . . . A 7 THR HG22 . 25934 1 23 . 1 1 7 7 THR HG23 H 1 1.223 0.000 . 1 . . . A 7 THR HG23 . 25934 1 24 . 1 1 7 7 THR N N 15 116.430 0.000 . 1 . . . A 7 THR N . 25934 1 25 . 1 1 8 8 SER H H 1 8.345 0.011 . 1 . . . A 8 SER H . 25934 1 26 . 1 1 8 8 SER HA H 1 4.467 0.000 . 1 . . . A 8 SER HA . 25934 1 27 . 1 1 8 8 SER HB2 H 1 3.843 0.000 . 2 . . . A 8 SER HB2 . 25934 1 28 . 1 1 8 8 SER HB3 H 1 3.848 0.000 . 2 . . . A 8 SER HB3 . 25934 1 29 . 1 1 8 8 SER N N 15 118.551 0.000 . 1 . . . A 8 SER N . 25934 1 30 . 1 1 9 9 GLN H H 1 8.338 0.003 . 1 . . . A 9 GLN H . 25934 1 31 . 1 1 9 9 GLN HA H 1 4.280 0.000 . 1 . . . A 9 GLN HA . 25934 1 32 . 1 1 9 9 GLN HB2 H 1 1.998 0.000 . 2 . . . A 9 GLN HB2 . 25934 1 33 . 1 1 9 9 GLN HB3 H 1 1.901 0.000 . 2 . . . A 9 GLN HB3 . 25934 1 34 . 1 1 9 9 GLN HG2 H 1 2.255 0.000 . 2 . . . A 9 GLN HG2 . 25934 1 35 . 1 1 9 9 GLN HG3 H 1 2.280 0.000 . 2 . . . A 9 GLN HG3 . 25934 1 36 . 1 1 9 9 GLN N N 15 123.019 0.000 . 1 . . . A 9 GLN N . 25934 1 37 . 1 1 10 10 LYS H H 1 8.258 0.004 . 1 . . . A 10 LYS H . 25934 1 38 . 1 1 10 10 LYS HA H 1 4.199 0.000 . 1 . . . A 10 LYS HA . 25934 1 39 . 1 1 10 10 LYS HB2 H 1 1.616 0.005 . 1 . . . A 10 LYS HB2 . 25934 1 40 . 1 1 10 10 LYS HB3 H 1 1.616 0.005 . 1 . . . A 10 LYS HB3 . 25934 1 41 . 1 1 10 10 LYS HG2 H 1 1.271 0.003 . 1 . . . A 10 LYS HG2 . 25934 1 42 . 1 1 10 10 LYS HG3 H 1 1.271 0.003 . 1 . . . A 10 LYS HG3 . 25934 1 43 . 1 1 10 10 LYS HD2 H 1 2.893 0.000 . 2 . . . A 10 LYS HD2 . 25934 1 44 . 1 1 10 10 LYS HD3 H 1 1.657 0.000 . 2 . . . A 10 LYS HD3 . 25934 1 45 . 1 1 10 10 LYS N N 15 123.679 0.000 . 1 . . . A 10 LYS N . 25934 1 46 . 1 1 11 11 SER H H 1 7.659 0.002 . 1 . . . A 11 SER H . 25934 1 47 . 1 1 11 11 SER HA H 1 4.534 0.006 . 1 . . . A 11 SER HA . 25934 1 48 . 1 1 11 11 SER HB2 H 1 3.563 0.003 . 2 . . . A 11 SER HB2 . 25934 1 49 . 1 1 11 11 SER HB3 H 1 3.500 0.005 . 2 . . . A 11 SER HB3 . 25934 1 50 . 1 1 11 11 SER N N 15 115.557 0.000 . 1 . . . A 11 SER N . 25934 1 51 . 1 1 12 12 TYR H H 1 8.585 0.004 . 1 . . . A 12 TYR H . 25934 1 52 . 1 1 12 12 TYR HA H 1 4.220 0.004 . 1 . . . A 12 TYR HA . 25934 1 53 . 1 1 12 12 TYR HB2 H 1 1.463 0.004 . 2 . . . A 12 TYR HB2 . 25934 1 54 . 1 1 12 12 TYR HB3 H 1 2.264 0.006 . 2 . . . A 12 TYR HB3 . 25934 1 55 . 1 1 12 12 TYR HD1 H 1 6.668 0.017 . 3 . . . A 12 TYR HD1 . 25934 1 56 . 1 1 12 12 TYR HD2 H 1 6.668 0.017 . 3 . . . A 12 TYR HD2 . 25934 1 57 . 1 1 12 12 TYR HE1 H 1 6.732 0.018 . 3 . . . A 12 TYR HE1 . 25934 1 58 . 1 1 12 12 TYR HE2 H 1 6.732 0.018 . 3 . . . A 12 TYR HE2 . 25934 1 59 . 1 1 12 12 TYR N N 15 122.532 0.000 . 1 . . . A 12 TYR N . 25934 1 60 . 1 1 13 13 VAL H H 1 8.253 0.004 . 1 . . . A 13 VAL H . 25934 1 61 . 1 1 13 13 VAL HA H 1 4.801 0.001 . 1 . . . A 13 VAL HA . 25934 1 62 . 1 1 13 13 VAL HB H 1 1.819 0.000 . 1 . . . A 13 VAL HB . 25934 1 63 . 1 1 13 13 VAL HG11 H 1 0.756 0.010 . 2 . . . A 13 VAL HG11 . 25934 1 64 . 1 1 13 13 VAL HG12 H 1 0.756 0.010 . 2 . . . A 13 VAL HG12 . 25934 1 65 . 1 1 13 13 VAL HG13 H 1 0.756 0.010 . 2 . . . A 13 VAL HG13 . 25934 1 66 . 1 1 13 13 VAL HG21 H 1 0.784 0.015 . 2 . . . A 13 VAL HG21 . 25934 1 67 . 1 1 13 13 VAL HG22 H 1 0.784 0.015 . 2 . . . A 13 VAL HG22 . 25934 1 68 . 1 1 13 13 VAL HG23 H 1 0.784 0.015 . 2 . . . A 13 VAL HG23 . 25934 1 69 . 1 1 13 13 VAL N N 15 123.674 0.000 . 1 . . . A 13 VAL N . 25934 1 70 . 1 1 14 14 CYS H H 1 9.362 0.005 . 1 . . . A 14 CYS H . 25934 1 71 . 1 1 14 14 CYS HA H 1 5.078 0.007 . 1 . . . A 14 CYS HA . 25934 1 72 . 1 1 14 14 CYS HB2 H 1 3.566 0.007 . 2 . . . A 14 CYS HB2 . 25934 1 73 . 1 1 14 14 CYS HB3 H 1 3.093 0.007 . 2 . . . A 14 CYS HB3 . 25934 1 74 . 1 1 14 14 CYS N N 15 131.181 0.000 . 1 . . . A 14 CYS N . 25934 1 75 . 1 1 15 15 PRO HA H 1 2.458 0.003 . 1 . . . A 15 PRO HA . 25934 1 76 . 1 1 15 15 PRO HB2 H 1 4.590 0.001 . 2 . . . A 15 PRO HB2 . 25934 1 77 . 1 1 15 15 PRO HB3 H 1 2.113 0.002 . 2 . . . A 15 PRO HB3 . 25934 1 78 . 1 1 15 15 PRO HG2 H 1 2.264 0.004 . 2 . . . A 15 PRO HG2 . 25934 1 79 . 1 1 15 15 PRO HG3 H 1 2.113 0.002 . 2 . . . A 15 PRO HG3 . 25934 1 80 . 1 1 15 15 PRO HD2 H 1 4.422 0.007 . 2 . . . A 15 PRO HD2 . 25934 1 81 . 1 1 15 15 PRO HD3 H 1 4.425 0.005 . 2 . . . A 15 PRO HD3 . 25934 1 82 . 1 1 16 16 ASN H H 1 9.104 0.002 . 1 . . . A 16 ASN H . 25934 1 83 . 1 1 16 16 ASN HA H 1 4.889 0.001 . 1 . . . A 16 ASN HA . 25934 1 84 . 1 1 16 16 ASN HB2 H 1 2.965 0.002 . 2 . . . A 16 ASN HB2 . 25934 1 85 . 1 1 16 16 ASN HB3 H 1 2.869 0.006 . 2 . . . A 16 ASN HB3 . 25934 1 86 . 1 1 16 16 ASN HD21 H 1 7.221 0.000 . 1 . . . A 16 ASN HD21 . 25934 1 87 . 1 1 16 16 ASN HD22 H 1 7.220 0.001 . 1 . . . A 16 ASN HD22 . 25934 1 88 . 1 1 16 16 ASN N N 15 119.946 0.000 . 1 . . . A 16 ASN N . 25934 1 89 . 1 1 17 17 CYS H H 1 8.202 0.003 . 1 . . . A 17 CYS H . 25934 1 90 . 1 1 17 17 CYS HA H 1 5.136 0.004 . 1 . . . A 17 CYS HA . 25934 1 91 . 1 1 17 17 CYS HB2 H 1 3.090 0.007 . 2 . . . A 17 CYS HB2 . 25934 1 92 . 1 1 17 17 CYS HB3 H 1 3.334 0.005 . 2 . . . A 17 CYS HB3 . 25934 1 93 . 1 1 17 17 CYS N N 15 117.298 0.000 . 1 . . . A 17 CYS N . 25934 1 94 . 1 1 18 18 GLY H H 1 8.092 0.002 . 1 . . . A 18 GLY H . 25934 1 95 . 1 1 18 18 GLY HA2 H 1 3.777 0.002 . 2 . . . A 18 GLY HA2 . 25934 1 96 . 1 1 18 18 GLY HA3 H 1 4.160 0.004 . 2 . . . A 18 GLY HA3 . 25934 1 97 . 1 1 18 18 GLY N N 15 113.723 0.000 . 1 . . . A 18 GLY N . 25934 1 98 . 1 1 19 19 LYS H H 1 8.396 0.008 . 1 . . . A 19 LYS H . 25934 1 99 . 1 1 19 19 LYS HA H 1 3.963 0.005 . 1 . . . A 19 LYS HA . 25934 1 100 . 1 1 19 19 LYS HB2 H 1 1.235 0.007 . 2 . . . A 19 LYS HB2 . 25934 1 101 . 1 1 19 19 LYS HB3 H 1 1.681 0.015 . 2 . . . A 19 LYS HB3 . 25934 1 102 . 1 1 19 19 LYS HG2 H 1 0.744 0.017 . 2 . . . A 19 LYS HG2 . 25934 1 103 . 1 1 19 19 LYS HG3 H 1 0.743 0.018 . 2 . . . A 19 LYS HG3 . 25934 1 104 . 1 1 19 19 LYS HD2 H 1 1.504 0.005 . 2 . . . A 19 LYS HD2 . 25934 1 105 . 1 1 19 19 LYS HD3 H 1 1.321 0.007 . 2 . . . A 19 LYS HD3 . 25934 1 106 . 1 1 19 19 LYS HE2 H 1 2.792 0.002 . 2 . . . A 19 LYS HE2 . 25934 1 107 . 1 1 19 19 LYS HE3 H 1 2.885 0.003 . 2 . . . A 19 LYS HE3 . 25934 1 108 . 1 1 19 19 LYS N N 15 124.529 0.000 . 1 . . . A 19 LYS N . 25934 1 109 . 1 1 20 20 ILE H H 1 7.793 0.002 . 1 . . . A 20 ILE H . 25934 1 110 . 1 1 20 20 ILE HA H 1 4.619 0.003 . 1 . . . A 20 ILE HA . 25934 1 111 . 1 1 20 20 ILE HB H 1 1.500 0.005 . 1 . . . A 20 ILE HB . 25934 1 112 . 1 1 20 20 ILE HG12 H 1 0.805 0.002 . 2 . . . A 20 ILE HG12 . 25934 1 113 . 1 1 20 20 ILE HG13 H 1 0.806 0.003 . 2 . . . A 20 ILE HG13 . 25934 1 114 . 1 1 20 20 ILE HG21 H 1 0.927 0.001 . 1 . . . A 20 ILE HG21 . 25934 1 115 . 1 1 20 20 ILE HG22 H 1 0.927 0.001 . 1 . . . A 20 ILE HG22 . 25934 1 116 . 1 1 20 20 ILE HG23 H 1 0.927 0.001 . 1 . . . A 20 ILE HG23 . 25934 1 117 . 1 1 20 20 ILE HD11 H 1 0.730 0.005 . 1 . . . A 20 ILE HD11 . 25934 1 118 . 1 1 20 20 ILE HD12 H 1 0.730 0.005 . 1 . . . A 20 ILE HD12 . 25934 1 119 . 1 1 20 20 ILE HD13 H 1 0.730 0.005 . 1 . . . A 20 ILE HD13 . 25934 1 120 . 1 1 20 20 ILE N N 15 122.902 0.000 . 1 . . . A 20 ILE N . 25934 1 121 . 1 1 21 21 PHE H H 1 9.361 0.006 . 1 . . . A 21 PHE H . 25934 1 122 . 1 1 21 21 PHE HA H 1 4.760 0.011 . 1 . . . A 21 PHE HA . 25934 1 123 . 1 1 21 21 PHE HB2 H 1 2.820 0.005 . 2 . . . A 21 PHE HB2 . 25934 1 124 . 1 1 21 21 PHE HB3 H 1 3.438 0.008 . 2 . . . A 21 PHE HB3 . 25934 1 125 . 1 1 21 21 PHE HD1 H 1 7.477 0.005 . 3 . . . A 21 PHE HD1 . 25934 1 126 . 1 1 21 21 PHE HD2 H 1 7.477 0.005 . 3 . . . A 21 PHE HD2 . 25934 1 127 . 1 1 21 21 PHE HE1 H 1 6.972 0.005 . 3 . . . A 21 PHE HE1 . 25934 1 128 . 1 1 21 21 PHE HE2 H 1 6.972 0.005 . 3 . . . A 21 PHE HE2 . 25934 1 129 . 1 1 21 21 PHE HZ H 1 6.212 0.006 . 1 . . . A 21 PHE HZ . 25934 1 130 . 1 1 21 21 PHE N N 15 126.244 0.000 . 1 . . . A 21 PHE N . 25934 1 131 . 1 1 22 22 ARG H H 1 9.016 0.004 . 1 . . . A 22 ARG H . 25934 1 132 . 1 1 22 22 ARG HA H 1 4.407 0.005 . 1 . . . A 22 ARG HA . 25934 1 133 . 1 1 22 22 ARG HB2 H 1 1.440 0.003 . 2 . . . A 22 ARG HB2 . 25934 1 134 . 1 1 22 22 ARG HB3 H 1 1.569 0.009 . 2 . . . A 22 ARG HB3 . 25934 1 135 . 1 1 22 22 ARG HG2 H 1 1.102 0.013 . 2 . . . A 22 ARG HG2 . 25934 1 136 . 1 1 22 22 ARG HG3 H 1 1.103 0.014 . 2 . . . A 22 ARG HG3 . 25934 1 137 . 1 1 22 22 ARG HD2 H 1 2.847 0.011 . 2 . . . A 22 ARG HD2 . 25934 1 138 . 1 1 22 22 ARG HD3 H 1 2.969 0.000 . 2 . . . A 22 ARG HD3 . 25934 1 139 . 1 1 22 22 ARG HE H 1 6.930 0.000 . 1 . . . A 22 ARG HE . 25934 1 140 . 1 1 22 22 ARG N N 15 125.051 0.000 . 1 . . . A 22 ARG N . 25934 1 141 . 1 1 23 23 TRP H H 1 7.986 0.008 . 1 . . . A 23 TRP H . 25934 1 142 . 1 1 23 23 TRP HA H 1 5.328 0.003 . 1 . . . A 23 TRP HA . 25934 1 143 . 1 1 23 23 TRP HB2 H 1 3.554 0.005 . 2 . . . A 23 TRP HB2 . 25934 1 144 . 1 1 23 23 TRP HB3 H 1 3.290 0.007 . 2 . . . A 23 TRP HB3 . 25934 1 145 . 1 1 23 23 TRP HD1 H 1 7.566 0.004 . 1 . . . A 23 TRP HD1 . 25934 1 146 . 1 1 23 23 TRP HE1 H 1 10.266 0.002 . 1 . . . A 23 TRP HE1 . 25934 1 147 . 1 1 23 23 TRP HE3 H 1 7.946 0.005 . 1 . . . A 23 TRP HE3 . 25934 1 148 . 1 1 23 23 TRP HZ2 H 1 7.526 0.004 . 1 . . . A 23 TRP HZ2 . 25934 1 149 . 1 1 23 23 TRP HZ3 H 1 7.246 0.002 . 1 . . . A 23 TRP HZ3 . 25934 1 150 . 1 1 23 23 TRP HH2 H 1 7.285 0.005 . 1 . . . A 23 TRP HH2 . 25934 1 151 . 1 1 23 23 TRP N N 15 118.871 0.000 . 1 . . . A 23 TRP N . 25934 1 152 . 1 1 23 23 TRP NE1 N 15 129.951 0.000 . 1 . . . A 23 TRP NE1 . 25934 1 153 . 1 1 24 24 ARG H H 1 9.358 0.003 . 1 . . . A 24 ARG H . 25934 1 154 . 1 1 24 24 ARG HA H 1 3.041 0.002 . 1 . . . A 24 ARG HA . 25934 1 155 . 1 1 24 24 ARG HB2 H 1 1.770 0.007 . 2 . . . A 24 ARG HB2 . 25934 1 156 . 1 1 24 24 ARG HB3 H 1 1.770 0.007 . 2 . . . A 24 ARG HB3 . 25934 1 157 . 1 1 24 24 ARG HG2 H 1 1.125 0.005 . 1 . . . A 24 ARG HG2 . 25934 1 158 . 1 1 24 24 ARG HG3 H 1 1.125 0.005 . 1 . . . A 24 ARG HG3 . 25934 1 159 . 1 1 24 24 ARG HD2 H 1 3.181 0.001 . 2 . . . A 24 ARG HD2 . 25934 1 160 . 1 1 24 24 ARG HD3 H 1 3.181 0.001 . 2 . . . A 24 ARG HD3 . 25934 1 161 . 1 1 24 24 ARG N N 15 130.190 0.000 . 1 . . . A 24 ARG N . 25934 1 162 . 1 1 25 25 VAL H H 1 8.598 0.004 . 1 . . . A 25 VAL H . 25934 1 163 . 1 1 25 25 VAL HA H 1 3.802 0.001 . 1 . . . A 25 VAL HA . 25934 1 164 . 1 1 25 25 VAL HB H 1 1.940 0.001 . 1 . . . A 25 VAL HB . 25934 1 165 . 1 1 25 25 VAL HG11 H 1 0.967 0.003 . 2 . . . A 25 VAL HG11 . 25934 1 166 . 1 1 25 25 VAL HG12 H 1 0.967 0.003 . 2 . . . A 25 VAL HG12 . 25934 1 167 . 1 1 25 25 VAL HG13 H 1 0.967 0.003 . 2 . . . A 25 VAL HG13 . 25934 1 168 . 1 1 25 25 VAL HG21 H 1 0.943 0.017 . 2 . . . A 25 VAL HG21 . 25934 1 169 . 1 1 25 25 VAL HG22 H 1 0.943 0.017 . 2 . . . A 25 VAL HG22 . 25934 1 170 . 1 1 25 25 VAL HG23 H 1 0.943 0.017 . 2 . . . A 25 VAL HG23 . 25934 1 171 . 1 1 25 25 VAL N N 15 115.735 0.000 . 1 . . . A 25 VAL N . 25934 1 172 . 1 1 26 26 ASN H H 1 6.907 0.003 . 1 . . . A 26 ASN H . 25934 1 173 . 1 1 26 26 ASN HA H 1 4.613 0.005 . 1 . . . A 26 ASN HA . 25934 1 174 . 1 1 26 26 ASN HB2 H 1 3.516 0.005 . 2 . . . A 26 ASN HB2 . 25934 1 175 . 1 1 26 26 ASN HB3 H 1 3.174 0.002 . 2 . . . A 26 ASN HB3 . 25934 1 176 . 1 1 26 26 ASN HD21 H 1 7.485 0.001 . 1 . . . A 26 ASN HD21 . 25934 1 177 . 1 1 26 26 ASN HD22 H 1 8.639 0.008 . 1 . . . A 26 ASN HD22 . 25934 1 178 . 1 1 26 26 ASN N N 15 119.272 0.000 . 1 . . . A 26 ASN N . 25934 1 179 . 1 1 26 26 ASN ND2 N 15 116.045 0.000 . 1 . . . A 26 ASN ND2 . 25934 1 180 . 1 1 27 27 PHE H H 1 7.487 0.002 . 1 . . . A 27 PHE H . 25934 1 181 . 1 1 27 27 PHE HA H 1 3.013 0.016 . 1 . . . A 27 PHE HA . 25934 1 182 . 1 1 27 27 PHE HB2 H 1 2.877 0.009 . 2 . . . A 27 PHE HB2 . 25934 1 183 . 1 1 27 27 PHE HB3 H 1 2.612 0.006 . 2 . . . A 27 PHE HB3 . 25934 1 184 . 1 1 27 27 PHE HD1 H 1 6.813 0.012 . 3 . . . A 27 PHE HD1 . 25934 1 185 . 1 1 27 27 PHE HD2 H 1 6.813 0.012 . 3 . . . A 27 PHE HD2 . 25934 1 186 . 1 1 27 27 PHE HE1 H 1 7.482 0.004 . 3 . . . A 27 PHE HE1 . 25934 1 187 . 1 1 27 27 PHE HE2 H 1 7.482 0.004 . 3 . . . A 27 PHE HE2 . 25934 1 188 . 1 1 27 27 PHE HZ H 1 7.317 0.005 . 1 . . . A 27 PHE HZ . 25934 1 189 . 1 1 27 27 PHE N N 15 124.971 0.000 . 1 . . . A 27 PHE N . 25934 1 190 . 1 1 28 28 ILE H H 1 8.458 0.001 . 1 . . . A 28 ILE H . 25934 1 191 . 1 1 28 28 ILE HA H 1 3.277 0.004 . 1 . . . A 28 ILE HA . 25934 1 192 . 1 1 28 28 ILE HB H 1 1.839 0.012 . 1 . . . A 28 ILE HB . 25934 1 193 . 1 1 28 28 ILE HG12 H 1 1.356 0.002 . 2 . . . A 28 ILE HG12 . 25934 1 194 . 1 1 28 28 ILE HG13 H 1 1.468 0.000 . 2 . . . A 28 ILE HG13 . 25934 1 195 . 1 1 28 28 ILE HG21 H 1 0.815 0.004 . 1 . . . A 28 ILE HG21 . 25934 1 196 . 1 1 28 28 ILE HG22 H 1 0.815 0.004 . 1 . . . A 28 ILE HG22 . 25934 1 197 . 1 1 28 28 ILE HG23 H 1 0.815 0.004 . 1 . . . A 28 ILE HG23 . 25934 1 198 . 1 1 28 28 ILE HD11 H 1 0.697 0.003 . 1 . . . A 28 ILE HD11 . 25934 1 199 . 1 1 28 28 ILE HD12 H 1 0.697 0.003 . 1 . . . A 28 ILE HD12 . 25934 1 200 . 1 1 28 28 ILE HD13 H 1 0.697 0.003 . 1 . . . A 28 ILE HD13 . 25934 1 201 . 1 1 28 28 ILE N N 15 119.280 0.000 . 1 . . . A 28 ILE N . 25934 1 202 . 1 1 29 29 ARG H H 1 7.577 0.004 . 1 . . . A 29 ARG H . 25934 1 203 . 1 1 29 29 ARG HA H 1 3.900 0.001 . 1 . . . A 29 ARG HA . 25934 1 204 . 1 1 29 29 ARG HB2 H 1 1.904 0.007 . 2 . . . A 29 ARG HB2 . 25934 1 205 . 1 1 29 29 ARG HB3 H 1 1.825 0.007 . 2 . . . A 29 ARG HB3 . 25934 1 206 . 1 1 29 29 ARG HG2 H 1 1.664 0.004 . 2 . . . A 29 ARG HG2 . 25934 1 207 . 1 1 29 29 ARG HG3 H 1 1.575 0.000 . 2 . . . A 29 ARG HG3 . 25934 1 208 . 1 1 29 29 ARG HD2 H 1 3.237 0.000 . 1 . . . A 29 ARG HD2 . 25934 1 209 . 1 1 29 29 ARG HD3 H 1 3.237 0.000 . 1 . . . A 29 ARG HD3 . 25934 1 210 . 1 1 29 29 ARG HE H 1 7.218 0.000 . 1 . . . A 29 ARG HE . 25934 1 211 . 1 1 29 29 ARG N N 15 119.668 0.000 . 1 . . . A 29 ARG N . 25934 1 212 . 1 1 30 30 HIS H H 1 7.620 0.003 . 1 . . . A 30 HIS H . 25934 1 213 . 1 1 30 30 HIS HA H 1 4.258 0.018 . 1 . . . A 30 HIS HA . 25934 1 214 . 1 1 30 30 HIS HB2 H 1 3.209 0.009 . 2 . . . A 30 HIS HB2 . 25934 1 215 . 1 1 30 30 HIS HB3 H 1 3.024 0.006 . 2 . . . A 30 HIS HB3 . 25934 1 216 . 1 1 30 30 HIS HD2 H 1 6.969 0.006 . 1 . . . A 30 HIS HD2 . 25934 1 217 . 1 1 30 30 HIS HE1 H 1 8.157 0.004 . 1 . . . A 30 HIS HE1 . 25934 1 218 . 1 1 30 30 HIS N N 15 120.050 0.000 . 1 . . . A 30 HIS N . 25934 1 219 . 1 1 31 31 LEU H H 1 8.005 0.004 . 1 . . . A 31 LEU H . 25934 1 220 . 1 1 31 31 LEU HA H 1 3.773 0.004 . 1 . . . A 31 LEU HA . 25934 1 221 . 1 1 31 31 LEU HB2 H 1 1.305 0.011 . 2 . . . A 31 LEU HB2 . 25934 1 222 . 1 1 31 31 LEU HB3 H 1 1.585 0.003 . 2 . . . A 31 LEU HB3 . 25934 1 223 . 1 1 31 31 LEU HG H 1 1.253 0.008 . 1 . . . A 31 LEU HG . 25934 1 224 . 1 1 31 31 LEU HD11 H 1 0.407 0.005 . 2 . . . A 31 LEU HD11 . 25934 1 225 . 1 1 31 31 LEU HD12 H 1 0.407 0.005 . 2 . . . A 31 LEU HD12 . 25934 1 226 . 1 1 31 31 LEU HD13 H 1 0.407 0.005 . 2 . . . A 31 LEU HD13 . 25934 1 227 . 1 1 31 31 LEU HD21 H 1 0.792 0.007 . 2 . . . A 31 LEU HD21 . 25934 1 228 . 1 1 31 31 LEU HD22 H 1 0.792 0.007 . 2 . . . A 31 LEU HD22 . 25934 1 229 . 1 1 31 31 LEU HD23 H 1 0.792 0.007 . 2 . . . A 31 LEU HD23 . 25934 1 230 . 1 1 31 31 LEU N N 15 120.143 0.000 . 1 . . . A 31 LEU N . 25934 1 231 . 1 1 32 32 ARG H H 1 7.975 0.003 . 1 . . . A 32 ARG H . 25934 1 232 . 1 1 32 32 ARG HA H 1 4.066 0.001 . 1 . . . A 32 ARG HA . 25934 1 233 . 1 1 32 32 ARG HB2 H 1 1.809 0.004 . 2 . . . A 32 ARG HB2 . 25934 1 234 . 1 1 32 32 ARG HB3 H 1 1.894 0.003 . 2 . . . A 32 ARG HB3 . 25934 1 235 . 1 1 32 32 ARG HG2 H 1 1.626 0.000 . 2 . . . A 32 ARG HG2 . 25934 1 236 . 1 1 32 32 ARG HG3 H 1 1.725 0.000 . 2 . . . A 32 ARG HG3 . 25934 1 237 . 1 1 32 32 ARG HD2 H 1 3.109 0.000 . 2 . . . A 32 ARG HD2 . 25934 1 238 . 1 1 32 32 ARG HD3 H 1 3.120 0.014 . 2 . . . A 32 ARG HD3 . 25934 1 239 . 1 1 32 32 ARG HE H 1 7.204 0.000 . 1 . . . A 32 ARG HE . 25934 1 240 . 1 1 32 32 ARG N N 15 118.157 0.000 . 1 . . . A 32 ARG N . 25934 1 241 . 1 1 33 33 SER H H 1 7.754 0.001 . 1 . . . A 33 SER H . 25934 1 242 . 1 1 33 33 SER HA H 1 4.327 0.004 . 1 . . . A 33 SER HA . 25934 1 243 . 1 1 33 33 SER HB2 H 1 3.941 0.000 . 2 . . . A 33 SER HB2 . 25934 1 244 . 1 1 33 33 SER HB3 H 1 3.954 0.000 . 2 . . . A 33 SER HB3 . 25934 1 245 . 1 1 33 33 SER N N 15 115.082 0.000 . 1 . . . A 33 SER N . 25934 1 246 . 1 1 34 34 ARG H H 1 7.558 0.004 . 1 . . . A 34 ARG H . 25934 1 247 . 1 1 34 34 ARG HA H 1 4.190 0.002 . 1 . . . A 34 ARG HA . 25934 1 248 . 1 1 34 34 ARG HB2 H 1 1.808 0.003 . 2 . . . A 34 ARG HB2 . 25934 1 249 . 1 1 34 34 ARG HB3 H 1 1.810 0.003 . 2 . . . A 34 ARG HB3 . 25934 1 250 . 1 1 34 34 ARG HG2 H 1 1.589 0.004 . 2 . . . A 34 ARG HG2 . 25934 1 251 . 1 1 34 34 ARG HG3 H 1 1.723 0.005 . 2 . . . A 34 ARG HG3 . 25934 1 252 . 1 1 34 34 ARG HD2 H 1 2.912 0.000 . 2 . . . A 34 ARG HD2 . 25934 1 253 . 1 1 34 34 ARG HD3 H 1 3.132 0.006 . 2 . . . A 34 ARG HD3 . 25934 1 254 . 1 1 34 34 ARG HE H 1 7.155 0.000 . 1 . . . A 34 ARG HE . 25934 1 255 . 1 1 34 34 ARG N N 15 121.862 0.000 . 1 . . . A 34 ARG N . 25934 1 256 . 1 1 35 35 ARG H H 1 8.030 0.002 . 1 . . . A 35 ARG H . 25934 1 257 . 1 1 35 35 ARG HA H 1 4.284 0.001 . 1 . . . A 35 ARG HA . 25934 1 258 . 1 1 35 35 ARG HB2 H 1 1.803 0.000 . 1 . . . A 35 ARG HB2 . 25934 1 259 . 1 1 35 35 ARG HB3 H 1 1.803 0.000 . 1 . . . A 35 ARG HB3 . 25934 1 260 . 1 1 35 35 ARG HG2 H 1 1.663 0.000 . 2 . . . A 35 ARG HG2 . 25934 1 261 . 1 1 35 35 ARG HG3 H 1 1.638 0.000 . 2 . . . A 35 ARG HG3 . 25934 1 262 . 1 1 35 35 ARG HD2 H 1 2.999 0.000 . 2 . . . A 35 ARG HD2 . 25934 1 263 . 1 1 35 35 ARG HD3 H 1 3.215 0.000 . 2 . . . A 35 ARG HD3 . 25934 1 264 . 1 1 35 35 ARG HE H 1 7.227 0.000 . 1 . . . A 35 ARG HE . 25934 1 265 . 1 1 35 35 ARG N N 15 121.550 0.000 . 1 . . . A 35 ARG N . 25934 1 266 . 1 1 36 36 GLU H H 1 8.274 0.001 . 1 . . . A 36 GLU H . 25934 1 267 . 1 1 36 36 GLU HA H 1 4.318 0.000 . 1 . . . A 36 GLU HA . 25934 1 268 . 1 1 36 36 GLU HB2 H 1 1.980 0.000 . 2 . . . A 36 GLU HB2 . 25934 1 269 . 1 1 36 36 GLU HB3 H 1 2.089 0.000 . 2 . . . A 36 GLU HB3 . 25934 1 270 . 1 1 36 36 GLU HG2 H 1 2.389 0.000 . 2 . . . A 36 GLU HG2 . 25934 1 271 . 1 1 36 36 GLU HG3 H 1 2.383 0.004 . 2 . . . A 36 GLU HG3 . 25934 1 272 . 1 1 36 36 GLU N N 15 122.012 0.000 . 1 . . . A 36 GLU N . 25934 1 273 . 1 1 37 37 GLN H H 1 8.238 0.004 . 1 . . . A 37 GLN H . 25934 1 274 . 1 1 37 37 GLN HA H 1 4.269 0.000 . 1 . . . A 37 GLN HA . 25934 1 275 . 1 1 37 37 GLN HB2 H 1 1.935 0.000 . 2 . . . A 37 GLN HB2 . 25934 1 276 . 1 1 37 37 GLN HB3 H 1 2.040 0.009 . 2 . . . A 37 GLN HB3 . 25934 1 277 . 1 1 37 37 GLN HG2 H 1 2.215 0.000 . 2 . . . A 37 GLN HG2 . 25934 1 278 . 1 1 37 37 GLN HG3 H 1 2.264 0.000 . 2 . . . A 37 GLN HG3 . 25934 1 279 . 1 1 37 37 GLN N N 15 121.601 0.000 . 1 . . . A 37 GLN N . 25934 1 280 . 1 1 38 38 LYS H H 1 8.348 0.000 . 1 . . . A 38 LYS H . 25934 1 281 . 1 1 38 38 LYS HA H 1 4.595 0.000 . 1 . . . A 38 LYS HA . 25934 1 282 . 1 1 38 38 LYS HB2 H 1 1.717 0.000 . 2 . . . A 38 LYS HB2 . 25934 1 283 . 1 1 38 38 LYS HB3 H 1 1.818 0.000 . 2 . . . A 38 LYS HB3 . 25934 1 284 . 1 1 38 38 LYS HG2 H 1 1.452 0.000 . 1 . . . A 38 LYS HG2 . 25934 1 285 . 1 1 38 38 LYS HG3 H 1 1.452 0.000 . 1 . . . A 38 LYS HG3 . 25934 1 286 . 1 1 38 38 LYS HD2 H 1 1.717 0.000 . 2 . . . A 38 LYS HD2 . 25934 1 287 . 1 1 38 38 LYS HD3 H 1 1.717 0.000 . 2 . . . A 38 LYS HD3 . 25934 1 288 . 1 1 38 38 LYS N N 15 124.607 0.000 . 1 . . . A 38 LYS N . 25934 1 289 . 1 1 39 39 PRO HA H 1 4.416 0.000 . 1 . . . A 39 PRO HA . 25934 1 290 . 1 1 39 39 PRO HB2 H 1 2.282 0.000 . 2 . . . A 39 PRO HB2 . 25934 1 291 . 1 1 39 39 PRO HB3 H 1 1.838 0.000 . 2 . . . A 39 PRO HB3 . 25934 1 292 . 1 1 39 39 PRO HG2 H 1 2.012 0.000 . 2 . . . A 39 PRO HG2 . 25934 1 293 . 1 1 39 39 PRO HG3 H 1 2.012 0.000 . 2 . . . A 39 PRO HG3 . 25934 1 294 . 1 1 39 39 PRO HD2 H 1 3.648 0.000 . 2 . . . A 39 PRO HD2 . 25934 1 295 . 1 1 39 39 PRO HD3 H 1 3.812 0.000 . 2 . . . A 39 PRO HD3 . 25934 1 296 . 1 1 40 40 HIS H H 1 8.565 0.000 . 1 . . . A 40 HIS H . 25934 1 297 . 1 1 40 40 HIS HA H 1 4.639 0.000 . 1 . . . A 40 HIS HA . 25934 1 298 . 1 1 40 40 HIS HB2 H 1 3.184 0.000 . 1 . . . A 40 HIS HB2 . 25934 1 299 . 1 1 40 40 HIS HB3 H 1 3.184 0.000 . 1 . . . A 40 HIS HB3 . 25934 1 300 . 1 1 40 40 HIS HD2 H 1 7.187 0.000 . 1 . . . A 40 HIS HD2 . 25934 1 301 . 1 1 40 40 HIS HE1 H 1 8.230 0.000 . 1 . . . A 40 HIS HE1 . 25934 1 302 . 1 1 40 40 HIS N N 15 120.882 0.000 . 1 . . . A 40 HIS N . 25934 1 303 . 1 1 41 41 LYS H H 1 8.343 0.000 . 1 . . . A 41 LYS H . 25934 1 304 . 1 1 41 41 LYS N N 15 127.629 0.000 . 1 . . . A 41 LYS N . 25934 1 stop_ save_