data_25967 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25967 _Entry.Title ; Solution structure of ZitP zinc finger ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-02-01 _Entry.Accession_date 2016-02-01 _Entry.Last_release_date 2016-02-04 _Entry.Original_release_date 2016-02-04 _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 'Solution structure of the zinc finger domain of ZitP from Caulobacter crescentus' _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 Sebastien Campagne . . . . 25967 2 Matthieu Berge . . . . 25967 3 Patrick Viollier . H. . . 25967 4 Frederic Allain . H-T . . 25967 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' . 25967 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'zinc finger' . 25967 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25967 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 164 25967 '15N chemical shifts' 43 25967 '1H chemical shifts' 274 25967 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 . . 2017-03-09 2016-02-01 update BMRB 'update entry citation' 25967 1 . . 2016-12-15 2016-02-01 original author 'original release' 25967 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2NB9 'BMRB Entry Tracking System' 25967 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25967 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28008852 _Citation.Full_citation . _Citation.Title ; Modularity and determinants of a (bi-)polarization control system from free-living and obligate intracellular bacteria ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev eLife _Citation.Journal_name_full . _Citation.Journal_volume 5 _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 e20640 _Citation.Page_last e20640 _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 Matthieu Berge M. . . . 25967 1 2 Sebastien Campagne S. . . . 25967 1 3 Johann Mignolet J. . . . 25967 1 4 Seamus Holden S. . . . 25967 1 5 Laurence Theraulaz L. . . . 25967 1 6 Suliana Manley S. . . . 25967 1 7 'Frederic H-T' Allain F. H. . . 25967 1 8 Patrick Viollier P. H. . . 25967 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25967 _Assembly.ID 1 _Assembly.Name 'ZitP 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 . . . 25967 1 2 'ZINC ION' 2 $entity_ZN B . no native no no . . . 25967 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 25967 _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 ; MILTCPECASRYFVDDSKVG PDGRVVRCASCGNRWTAFKD EAELELVPR ; _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 49 _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 5499.318 _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 . MET . 25967 1 2 . ILE . 25967 1 3 . LEU . 25967 1 4 . THR . 25967 1 5 . CYS . 25967 1 6 . PRO . 25967 1 7 . GLU . 25967 1 8 . CYS . 25967 1 9 . ALA . 25967 1 10 . SER . 25967 1 11 . ARG . 25967 1 12 . TYR . 25967 1 13 . PHE . 25967 1 14 . VAL . 25967 1 15 . ASP . 25967 1 16 . ASP . 25967 1 17 . SER . 25967 1 18 . LYS . 25967 1 19 . VAL . 25967 1 20 . GLY . 25967 1 21 . PRO . 25967 1 22 . ASP . 25967 1 23 . GLY . 25967 1 24 . ARG . 25967 1 25 . VAL . 25967 1 26 . VAL . 25967 1 27 . ARG . 25967 1 28 . CYS . 25967 1 29 . ALA . 25967 1 30 . SER . 25967 1 31 . CYS . 25967 1 32 . GLY . 25967 1 33 . ASN . 25967 1 34 . ARG . 25967 1 35 . TRP . 25967 1 36 . THR . 25967 1 37 . ALA . 25967 1 38 . PHE . 25967 1 39 . LYS . 25967 1 40 . ASP . 25967 1 41 . GLU . 25967 1 42 . ALA . 25967 1 43 . GLU . 25967 1 44 . LEU . 25967 1 45 . GLU . 25967 1 46 . LEU . 25967 1 47 . VAL . 25967 1 48 . PRO . 25967 1 49 . ARG . 25967 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 . MET 1 1 25967 1 . ILE 2 2 25967 1 . LEU 3 3 25967 1 . THR 4 4 25967 1 . CYS 5 5 25967 1 . PRO 6 6 25967 1 . GLU 7 7 25967 1 . CYS 8 8 25967 1 . ALA 9 9 25967 1 . SER 10 10 25967 1 . ARG 11 11 25967 1 . TYR 12 12 25967 1 . PHE 13 13 25967 1 . VAL 14 14 25967 1 . ASP 15 15 25967 1 . ASP 16 16 25967 1 . SER 17 17 25967 1 . LYS 18 18 25967 1 . VAL 19 19 25967 1 . GLY 20 20 25967 1 . PRO 21 21 25967 1 . ASP 22 22 25967 1 . GLY 23 23 25967 1 . ARG 24 24 25967 1 . VAL 25 25 25967 1 . VAL 26 26 25967 1 . ARG 27 27 25967 1 . CYS 28 28 25967 1 . ALA 29 29 25967 1 . SER 30 30 25967 1 . CYS 31 31 25967 1 . GLY 32 32 25967 1 . ASN 33 33 25967 1 . ARG 34 34 25967 1 . TRP 35 35 25967 1 . THR 36 36 25967 1 . ALA 37 37 25967 1 . PHE 38 38 25967 1 . LYS 39 39 25967 1 . ASP 40 40 25967 1 . GLU 41 41 25967 1 . ALA 42 42 25967 1 . GLU 43 43 25967 1 . LEU 44 44 25967 1 . GLU 45 45 25967 1 . LEU 46 46 25967 1 . VAL 47 47 25967 1 . PRO 48 48 25967 1 . ARG 49 49 25967 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 25967 _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 25967 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 25967 2 ZN 'Three letter code' 25967 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 25967 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 25967 _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 . 155892 organism . 'Caulobacter crescentus' 'Caulobacter crescentus' . . Bacteria . Caulobacter crescentus . . . . . . . . . . . . . 25967 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 25967 _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 BL21DE3 . . . . . pSC-ZitP . . . 25967 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 25967 _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 25967 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 25967 ZN [Zn++] SMILES CACTVS 3.341 25967 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 25967 ZN [Zn+2] SMILES ACDLabs 10.04 25967 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 25967 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25967 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 25967 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25967 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 . 25967 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25967 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C15N-labeled ZitP 1mM' _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 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 25967 1 2 'ZINC ION' 'natural abundance' . . 2 $entity_ZN . . 1 . . mM . . . . 25967 1 3 NaPO4 'natural abundance' . . . . . . 10 . . mM . . . . 25967 1 4 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 25967 1 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 25967 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 25967 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'NaPO4 10mM pH6.8, NaCl 50mM, DTT 10 mM' 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' 50 . mM 25967 1 pH 6.8 . pH 25967 1 pressure 1 . atm 25967 1 temperature 298 . K 25967 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25967 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25967 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25967 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 25967 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 25967 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25967 2 'data analysis' 25967 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25967 _Software.ID 3 _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' . . 25967 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25967 3 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 25967 _Software.ID 4 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 25967 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25967 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500 _NMR_spectrometer.Entry_ID 25967 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_900 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 900 _NMR_spectrometer.Entry_ID 25967 _NMR_spectrometer.ID 2 _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 25967 _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 1 500 Bruker Avance . 500 . . . 25967 1 2 900 Bruker Avance . 900 . . . 25967 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 25967 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $500 . . . . . . . . . . . . . . . . 25967 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $500 . . . . . . . . . . . . . . . . 25967 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $500 . . . . . . . . . . . . . . . . 25967 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $500 . . . . . . . . . . . . . . . . 25967 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $500 . . . . . . . . . . . . . . . . 25967 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $500 . . . . . . . . . . . . . . . . 25967 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $500 . . . . . . . . . . . . . . . . 25967 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $500 . . . . . . . . . . . . . . . . 25967 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $900 . . . . . . . . . . . . . . . . 25967 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $900 . . . . . . . . . . . . . . . . 25967 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $900 . . . . . . . . . . . . . . . . 25967 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 25967 _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 internal direct . . . . . . 25967 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . 25967 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal direct . . . . . . 25967 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 25967 _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 9 '3D 1H-15N NOESY' . . . 25967 1 10 '3D 1H-13C NOESY aliphatic' . . . 25967 1 11 '3D 1H-13C NOESY aromatic' . . . 25967 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 25967 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.152 0.020 . 1 . . . A 1 MET HA . 25967 1 2 . 1 1 1 1 MET HB2 H 1 2.091 0.020 . 1 . . . A 1 MET HB2 . 25967 1 3 . 1 1 1 1 MET HB3 H 1 2.091 0.020 . 1 . . . A 1 MET HB3 . 25967 1 4 . 1 1 1 1 MET HG2 H 1 2.284 0.020 . 2 . . . A 1 MET HG2 . 25967 1 5 . 1 1 1 1 MET HG3 H 1 2.180 0.020 . 2 . . . A 1 MET HG3 . 25967 1 6 . 1 1 1 1 MET HE1 H 1 1.889 0.020 . 1 . . . A 1 MET HE1 . 25967 1 7 . 1 1 1 1 MET HE2 H 1 1.889 0.020 . 1 . . . A 1 MET HE2 . 25967 1 8 . 1 1 1 1 MET HE3 H 1 1.889 0.020 . 1 . . . A 1 MET HE3 . 25967 1 9 . 1 1 1 1 MET CA C 13 55.106 0.3 . 1 . . . A 1 MET CA . 25967 1 10 . 1 1 1 1 MET CB C 13 33.551 0.3 . 1 . . . A 1 MET CB . 25967 1 11 . 1 1 1 1 MET CG C 13 30.383 0.3 . 1 . . . A 1 MET CG . 25967 1 12 . 1 1 1 1 MET CE C 13 17.403 0.3 . 1 . . . A 1 MET CE . 25967 1 13 . 1 1 1 1 MET N N 15 112.294 0.3 . 1 . . . A 1 MET N . 25967 1 14 . 1 1 2 2 ILE H H 1 8.816 0.020 . 1 . . . A 2 ILE H . 25967 1 15 . 1 1 2 2 ILE HA H 1 4.931 0.020 . 1 . . . A 2 ILE HA . 25967 1 16 . 1 1 2 2 ILE HB H 1 1.775 0.020 . 1 . . . A 2 ILE HB . 25967 1 17 . 1 1 2 2 ILE HG12 H 1 1.465 0.020 . 2 . . . A 2 ILE HG12 . 25967 1 18 . 1 1 2 2 ILE HG13 H 1 1.177 0.020 . 2 . . . A 2 ILE HG13 . 25967 1 19 . 1 1 2 2 ILE HG21 H 1 0.680 0.020 . 1 . . . A 2 ILE HG21 . 25967 1 20 . 1 1 2 2 ILE HG22 H 1 0.680 0.020 . 1 . . . A 2 ILE HG22 . 25967 1 21 . 1 1 2 2 ILE HG23 H 1 0.680 0.020 . 1 . . . A 2 ILE HG23 . 25967 1 22 . 1 1 2 2 ILE HD11 H 1 0.794 0.020 . 1 . . . A 2 ILE HD11 . 25967 1 23 . 1 1 2 2 ILE HD12 H 1 0.794 0.020 . 1 . . . A 2 ILE HD12 . 25967 1 24 . 1 1 2 2 ILE HD13 H 1 0.794 0.020 . 1 . . . A 2 ILE HD13 . 25967 1 25 . 1 1 2 2 ILE C C 13 175.802 0.3 . 1 . . . A 2 ILE C . 25967 1 26 . 1 1 2 2 ILE CA C 13 59.048 0.3 . 1 . . . A 2 ILE CA . 25967 1 27 . 1 1 2 2 ILE CB C 13 38.137 0.3 . 1 . . . A 2 ILE CB . 25967 1 28 . 1 1 2 2 ILE CG1 C 13 26.983 0.3 . 1 . . . A 2 ILE CG1 . 25967 1 29 . 1 1 2 2 ILE CG2 C 13 17.102 0.3 . 1 . . . A 2 ILE CG2 . 25967 1 30 . 1 1 2 2 ILE CD1 C 13 11.532 0.3 . 1 . . . A 2 ILE CD1 . 25967 1 31 . 1 1 2 2 ILE N N 15 123.601 0.3 . 1 . . . A 2 ILE N . 25967 1 32 . 1 1 3 3 LEU H H 1 9.257 0.020 . 1 . . . A 3 LEU H . 25967 1 33 . 1 1 3 3 LEU HA H 1 4.839 0.020 . 1 . . . A 3 LEU HA . 25967 1 34 . 1 1 3 3 LEU HB2 H 1 1.662 0.020 . 2 . . . A 3 LEU HB2 . 25967 1 35 . 1 1 3 3 LEU HB3 H 1 1.605 0.020 . 2 . . . A 3 LEU HB3 . 25967 1 36 . 1 1 3 3 LEU HG H 1 1.462 0.020 . 1 . . . A 3 LEU HG . 25967 1 37 . 1 1 3 3 LEU HD11 H 1 0.819 0.020 . 2 . . . A 3 LEU HD11 . 25967 1 38 . 1 1 3 3 LEU HD12 H 1 0.819 0.020 . 2 . . . A 3 LEU HD12 . 25967 1 39 . 1 1 3 3 LEU HD13 H 1 0.819 0.020 . 2 . . . A 3 LEU HD13 . 25967 1 40 . 1 1 3 3 LEU HD21 H 1 0.640 0.020 . 2 . . . A 3 LEU HD21 . 25967 1 41 . 1 1 3 3 LEU HD22 H 1 0.640 0.020 . 2 . . . A 3 LEU HD22 . 25967 1 42 . 1 1 3 3 LEU HD23 H 1 0.640 0.020 . 2 . . . A 3 LEU HD23 . 25967 1 43 . 1 1 3 3 LEU C C 13 175.450 0.3 . 1 . . . A 3 LEU C . 25967 1 44 . 1 1 3 3 LEU CA C 13 53.070 0.3 . 1 . . . A 3 LEU CA . 25967 1 45 . 1 1 3 3 LEU CB C 13 45.292 0.3 . 1 . . . A 3 LEU CB . 25967 1 46 . 1 1 3 3 LEU CG C 13 27.161 0.3 . 1 . . . A 3 LEU CG . 25967 1 47 . 1 1 3 3 LEU CD1 C 13 24.209 0.3 . 1 . . . A 3 LEU CD1 . 25967 1 48 . 1 1 3 3 LEU CD2 C 13 26.498 0.3 . 1 . . . A 3 LEU CD2 . 25967 1 49 . 1 1 3 3 LEU N N 15 128.489 0.3 . 1 . . . A 3 LEU N . 25967 1 50 . 1 1 4 4 THR H H 1 8.526 0.020 . 1 . . . A 4 THR H . 25967 1 51 . 1 1 4 4 THR HA H 1 4.902 0.020 . 1 . . . A 4 THR HA . 25967 1 52 . 1 1 4 4 THR HB H 1 3.669 0.020 . 1 . . . A 4 THR HB . 25967 1 53 . 1 1 4 4 THR HG21 H 1 0.812 0.020 . 1 . . . A 4 THR HG21 . 25967 1 54 . 1 1 4 4 THR HG22 H 1 0.812 0.020 . 1 . . . A 4 THR HG22 . 25967 1 55 . 1 1 4 4 THR HG23 H 1 0.812 0.020 . 1 . . . A 4 THR HG23 . 25967 1 56 . 1 1 4 4 THR C C 13 173.604 0.3 . 1 . . . A 4 THR C . 25967 1 57 . 1 1 4 4 THR CA C 13 60.692 0.3 . 1 . . . A 4 THR CA . 25967 1 58 . 1 1 4 4 THR CB C 13 70.292 0.3 . 1 . . . A 4 THR CB . 25967 1 59 . 1 1 4 4 THR CG2 C 13 20.636 0.3 . 1 . . . A 4 THR CG2 . 25967 1 60 . 1 1 4 4 THR N N 15 117.957 0.3 . 1 . . . A 4 THR N . 25967 1 61 . 1 1 5 5 CYS H H 1 9.005 0.020 . 1 . . . A 5 CYS H . 25967 1 62 . 1 1 5 5 CYS HA H 1 3.559 0.020 . 1 . . . A 5 CYS HA . 25967 1 63 . 1 1 5 5 CYS HB2 H 1 2.854 0.020 . 2 . . . A 5 CYS HB2 . 25967 1 64 . 1 1 5 5 CYS HB3 H 1 3.068 0.020 . 2 . . . A 5 CYS HB3 . 25967 1 65 . 1 1 5 5 CYS CA C 13 56.498 0.3 . 1 . . . A 5 CYS CA . 25967 1 66 . 1 1 5 5 CYS CB C 13 31.380 0.3 . 1 . . . A 5 CYS CB . 25967 1 67 . 1 1 5 5 CYS N N 15 130.007 0.3 . 1 . . . A 5 CYS N . 25967 1 68 . 1 1 6 6 PRO HA H 1 4.034 0.020 . 1 . . . A 6 PRO HA . 25967 1 69 . 1 1 6 6 PRO HB2 H 1 2.009 0.020 . 2 . . . A 6 PRO HB2 . 25967 1 70 . 1 1 6 6 PRO HB3 H 1 1.610 0.020 . 2 . . . A 6 PRO HB3 . 25967 1 71 . 1 1 6 6 PRO HG2 H 1 1.248 0.020 . 2 . . . A 6 PRO HG2 . 25967 1 72 . 1 1 6 6 PRO HG3 H 1 1.193 0.020 . 2 . . . A 6 PRO HG3 . 25967 1 73 . 1 1 6 6 PRO HD2 H 1 2.416 0.020 . 2 . . . A 6 PRO HD2 . 25967 1 74 . 1 1 6 6 PRO HD3 H 1 1.895 0.020 . 2 . . . A 6 PRO HD3 . 25967 1 75 . 1 1 6 6 PRO C C 13 176.205 0.3 . 1 . . . A 6 PRO C . 25967 1 76 . 1 1 6 6 PRO CA C 13 63.611 0.3 . 1 . . . A 6 PRO CA . 25967 1 77 . 1 1 6 6 PRO CB C 13 32.336 0.3 . 1 . . . A 6 PRO CB . 25967 1 78 . 1 1 6 6 PRO CG C 13 26.480 0.3 . 1 . . . A 6 PRO CG . 25967 1 79 . 1 1 6 6 PRO CD C 13 50.180 0.3 . 1 . . . A 6 PRO CD . 25967 1 80 . 1 1 7 7 GLU H H 1 8.547 0.020 . 1 . . . A 7 GLU H . 25967 1 81 . 1 1 7 7 GLU HA H 1 4.275 0.020 . 1 . . . A 7 GLU HA . 25967 1 82 . 1 1 7 7 GLU HB2 H 1 2.032 0.020 . 2 . . . A 7 GLU HB2 . 25967 1 83 . 1 1 7 7 GLU HB3 H 1 1.686 0.020 . 2 . . . A 7 GLU HB3 . 25967 1 84 . 1 1 7 7 GLU HG2 H 1 1.987 0.020 . 1 . . . A 7 GLU HG2 . 25967 1 85 . 1 1 7 7 GLU HG3 H 1 1.987 0.020 . 1 . . . A 7 GLU HG3 . 25967 1 86 . 1 1 7 7 GLU C C 13 177.082 0.3 . 1 . . . A 7 GLU C . 25967 1 87 . 1 1 7 7 GLU CA C 13 57.360 0.3 . 1 . . . A 7 GLU CA . 25967 1 88 . 1 1 7 7 GLU CB C 13 30.862 0.3 . 1 . . . A 7 GLU CB . 25967 1 89 . 1 1 7 7 GLU CG C 13 35.147 0.3 . 1 . . . A 7 GLU CG . 25967 1 90 . 1 1 7 7 GLU N N 15 119.492 0.3 . 1 . . . A 7 GLU N . 25967 1 91 . 1 1 8 8 CYS H H 1 8.373 0.020 . 1 . . . A 8 CYS H . 25967 1 92 . 1 1 8 8 CYS HA H 1 4.856 0.020 . 1 . . . A 8 CYS HA . 25967 1 93 . 1 1 8 8 CYS HB2 H 1 3.226 0.020 . 2 . . . A 8 CYS HB2 . 25967 1 94 . 1 1 8 8 CYS HB3 H 1 2.500 0.020 . 2 . . . A 8 CYS HB3 . 25967 1 95 . 1 1 8 8 CYS C C 13 176.133 0.3 . 1 . . . A 8 CYS C . 25967 1 96 . 1 1 8 8 CYS CA C 13 58.599 0.3 . 1 . . . A 8 CYS CA . 25967 1 97 . 1 1 8 8 CYS CB C 13 32.260 0.3 . 1 . . . A 8 CYS CB . 25967 1 98 . 1 1 8 8 CYS N N 15 118.683 0.3 . 1 . . . A 8 CYS N . 25967 1 99 . 1 1 9 9 ALA H H 1 7.834 0.020 . 1 . . . A 9 ALA H . 25967 1 100 . 1 1 9 9 ALA HA H 1 3.965 0.020 . 1 . . . A 9 ALA HA . 25967 1 101 . 1 1 9 9 ALA HB1 H 1 1.378 0.020 . 1 . . . A 9 ALA HB1 . 25967 1 102 . 1 1 9 9 ALA HB2 H 1 1.378 0.020 . 1 . . . A 9 ALA HB2 . 25967 1 103 . 1 1 9 9 ALA HB3 H 1 1.378 0.020 . 1 . . . A 9 ALA HB3 . 25967 1 104 . 1 1 9 9 ALA C C 13 176.315 0.3 . 1 . . . A 9 ALA C . 25967 1 105 . 1 1 9 9 ALA CA C 13 53.979 0.3 . 1 . . . A 9 ALA CA . 25967 1 106 . 1 1 9 9 ALA CB C 13 16.815 0.3 . 1 . . . A 9 ALA CB . 25967 1 107 . 1 1 9 9 ALA N N 15 121.857 0.3 . 1 . . . A 9 ALA N . 25967 1 108 . 1 1 10 10 SER H H 1 8.451 0.020 . 1 . . . A 10 SER H . 25967 1 109 . 1 1 10 10 SER HA H 1 4.158 0.020 . 1 . . . A 10 SER HA . 25967 1 110 . 1 1 10 10 SER HB2 H 1 3.799 0.020 . 2 . . . A 10 SER HB2 . 25967 1 111 . 1 1 10 10 SER HB3 H 1 3.451 0.020 . 2 . . . A 10 SER HB3 . 25967 1 112 . 1 1 10 10 SER C C 13 172.308 0.3 . 1 . . . A 10 SER C . 25967 1 113 . 1 1 10 10 SER CA C 13 61.592 0.3 . 1 . . . A 10 SER CA . 25967 1 114 . 1 1 10 10 SER CB C 13 63.891 0.3 . 1 . . . A 10 SER CB . 25967 1 115 . 1 1 10 10 SER N N 15 119.113 0.3 . 1 . . . A 10 SER N . 25967 1 116 . 1 1 11 11 ARG H H 1 8.118 0.020 . 1 . . . A 11 ARG H . 25967 1 117 . 1 1 11 11 ARG HA H 1 5.078 0.020 . 1 . . . A 11 ARG HA . 25967 1 118 . 1 1 11 11 ARG HB2 H 1 1.498 0.020 . 2 . . . A 11 ARG HB2 . 25967 1 119 . 1 1 11 11 ARG HB3 H 1 1.453 0.020 . 2 . . . A 11 ARG HB3 . 25967 1 120 . 1 1 11 11 ARG HG2 H 1 1.555 0.020 . 1 . . . A 11 ARG HG2 . 25967 1 121 . 1 1 11 11 ARG HG3 H 1 1.555 0.020 . 1 . . . A 11 ARG HG3 . 25967 1 122 . 1 1 11 11 ARG HD2 H 1 3.079 0.020 . 1 . . . A 11 ARG HD2 . 25967 1 123 . 1 1 11 11 ARG HD3 H 1 3.079 0.020 . 1 . . . A 11 ARG HD3 . 25967 1 124 . 1 1 11 11 ARG C C 13 175.815 0.3 . 1 . . . A 11 ARG C . 25967 1 125 . 1 1 11 11 ARG CA C 13 54.971 0.3 . 1 . . . A 11 ARG CA . 25967 1 126 . 1 1 11 11 ARG CB C 13 33.070 0.3 . 1 . . . A 11 ARG CB . 25967 1 127 . 1 1 11 11 ARG CG C 13 27.130 0.3 . 1 . . . A 11 ARG CG . 25967 1 128 . 1 1 11 11 ARG CD C 13 43.329 0.3 . 1 . . . A 11 ARG CD . 25967 1 129 . 1 1 11 11 ARG N N 15 122.730 0.3 . 1 . . . A 11 ARG N . 25967 1 130 . 1 1 12 12 TYR H H 1 9.035 0.020 . 1 . . . A 12 TYR H . 25967 1 131 . 1 1 12 12 TYR HA H 1 5.135 0.020 . 1 . . . A 12 TYR HA . 25967 1 132 . 1 1 12 12 TYR HB2 H 1 2.979 0.020 . 2 . . . A 12 TYR HB2 . 25967 1 133 . 1 1 12 12 TYR HB3 H 1 2.508 0.020 . 2 . . . A 12 TYR HB3 . 25967 1 134 . 1 1 12 12 TYR HD1 H 1 6.893 0.020 . 1 . . . A 12 TYR HD1 . 25967 1 135 . 1 1 12 12 TYR HD2 H 1 6.893 0.020 . 1 . . . A 12 TYR HD2 . 25967 1 136 . 1 1 12 12 TYR HE1 H 1 6.643 0.020 . 1 . . . A 12 TYR HE1 . 25967 1 137 . 1 1 12 12 TYR HE2 H 1 6.643 0.020 . 1 . . . A 12 TYR HE2 . 25967 1 138 . 1 1 12 12 TYR C C 13 173.932 0.3 . 1 . . . A 12 TYR C . 25967 1 139 . 1 1 12 12 TYR CA C 13 57.236 0.3 . 1 . . . A 12 TYR CA . 25967 1 140 . 1 1 12 12 TYR CB C 13 42.921 0.3 . 1 . . . A 12 TYR CB . 25967 1 141 . 1 1 12 12 TYR CD2 C 13 133.767 0.3 . 1 . . . A 12 TYR CD2 . 25967 1 142 . 1 1 12 12 TYR CE2 C 13 117.891 0.3 . 1 . . . A 12 TYR CE2 . 25967 1 143 . 1 1 12 12 TYR N N 15 120.317 0.3 . 1 . . . A 12 TYR N . 25967 1 144 . 1 1 13 13 PHE H H 1 8.888 0.020 . 1 . . . A 13 PHE H . 25967 1 145 . 1 1 13 13 PHE HA H 1 4.825 0.020 . 1 . . . A 13 PHE HA . 25967 1 146 . 1 1 13 13 PHE HB2 H 1 2.943 0.020 . 2 . . . A 13 PHE HB2 . 25967 1 147 . 1 1 13 13 PHE HB3 H 1 2.820 0.020 . 2 . . . A 13 PHE HB3 . 25967 1 148 . 1 1 13 13 PHE HD1 H 1 7.036 0.020 . 1 . . . A 13 PHE HD1 . 25967 1 149 . 1 1 13 13 PHE HD2 H 1 7.036 0.020 . 1 . . . A 13 PHE HD2 . 25967 1 150 . 1 1 13 13 PHE HE1 H 1 7.239 0.020 . 1 . . . A 13 PHE HE1 . 25967 1 151 . 1 1 13 13 PHE HE2 H 1 7.239 0.020 . 1 . . . A 13 PHE HE2 . 25967 1 152 . 1 1 13 13 PHE C C 13 174.956 0.3 . 1 . . . A 13 PHE C . 25967 1 153 . 1 1 13 13 PHE CA C 13 56.880 0.3 . 1 . . . A 13 PHE CA . 25967 1 154 . 1 1 13 13 PHE CB C 13 40.430 0.3 . 1 . . . A 13 PHE CB . 25967 1 155 . 1 1 13 13 PHE CD1 C 13 131.715 0.3 . 1 . . . A 13 PHE CD1 . 25967 1 156 . 1 1 13 13 PHE CE1 C 13 131.281 0.3 . 1 . . . A 13 PHE CE1 . 25967 1 157 . 1 1 13 13 PHE N N 15 122.855 0.3 . 1 . . . A 13 PHE N . 25967 1 158 . 1 1 14 14 VAL H H 1 8.082 0.020 . 1 . . . A 14 VAL H . 25967 1 159 . 1 1 14 14 VAL HA H 1 3.925 0.020 . 1 . . . A 14 VAL HA . 25967 1 160 . 1 1 14 14 VAL HB H 1 1.490 0.020 . 1 . . . A 14 VAL HB . 25967 1 161 . 1 1 14 14 VAL HG11 H 1 0.586 0.020 . 2 . . . A 14 VAL HG11 . 25967 1 162 . 1 1 14 14 VAL HG12 H 1 0.586 0.020 . 2 . . . A 14 VAL HG12 . 25967 1 163 . 1 1 14 14 VAL HG13 H 1 0.586 0.020 . 2 . . . A 14 VAL HG13 . 25967 1 164 . 1 1 14 14 VAL HG21 H 1 0.540 0.020 . 2 . . . A 14 VAL HG21 . 25967 1 165 . 1 1 14 14 VAL HG22 H 1 0.540 0.020 . 2 . . . A 14 VAL HG22 . 25967 1 166 . 1 1 14 14 VAL HG23 H 1 0.540 0.020 . 2 . . . A 14 VAL HG23 . 25967 1 167 . 1 1 14 14 VAL C C 13 172.804 0.3 . 1 . . . A 14 VAL C . 25967 1 168 . 1 1 14 14 VAL CA C 13 59.787 0.3 . 1 . . . A 14 VAL CA . 25967 1 169 . 1 1 14 14 VAL CB C 13 35.580 0.3 . 1 . . . A 14 VAL CB . 25967 1 170 . 1 1 14 14 VAL CG1 C 13 21.391 0.3 . 1 . . . A 14 VAL CG1 . 25967 1 171 . 1 1 14 14 VAL CG2 C 13 21.062 0.3 . 1 . . . A 14 VAL CG2 . 25967 1 172 . 1 1 14 14 VAL N N 15 125.121 0.3 . 1 . . . A 14 VAL N . 25967 1 173 . 1 1 15 15 ASP H H 1 8.230 0.020 . 1 . . . A 15 ASP H . 25967 1 174 . 1 1 15 15 ASP HA H 1 4.206 0.020 . 1 . . . A 15 ASP HA . 25967 1 175 . 1 1 15 15 ASP HB2 H 1 2.491 0.020 . 1 . . . A 15 ASP HB2 . 25967 1 176 . 1 1 15 15 ASP HB3 H 1 2.491 0.020 . 1 . . . A 15 ASP HB3 . 25967 1 177 . 1 1 15 15 ASP C C 13 176.823 0.3 . 1 . . . A 15 ASP C . 25967 1 178 . 1 1 15 15 ASP CA C 13 54.883 0.3 . 1 . . . A 15 ASP CA . 25967 1 179 . 1 1 15 15 ASP CB C 13 41.977 0.3 . 1 . . . A 15 ASP CB . 25967 1 180 . 1 1 15 15 ASP N N 15 125.987 0.3 . 1 . . . A 15 ASP N . 25967 1 181 . 1 1 16 16 ASP H H 1 8.634 0.020 . 1 . . . A 16 ASP H . 25967 1 182 . 1 1 16 16 ASP HA H 1 4.020 0.020 . 1 . . . A 16 ASP HA . 25967 1 183 . 1 1 16 16 ASP HB2 H 1 2.518 0.020 . 1 . . . A 16 ASP HB2 . 25967 1 184 . 1 1 16 16 ASP HB3 H 1 2.518 0.020 . 1 . . . A 16 ASP HB3 . 25967 1 185 . 1 1 16 16 ASP C C 13 177.382 0.3 . 1 . . . A 16 ASP C . 25967 1 186 . 1 1 16 16 ASP CA C 13 57.113 0.3 . 1 . . . A 16 ASP CA . 25967 1 187 . 1 1 16 16 ASP CB C 13 40.416 0.3 . 1 . . . A 16 ASP CB . 25967 1 188 . 1 1 16 16 ASP N N 15 124.420 0.3 . 1 . . . A 16 ASP N . 25967 1 189 . 1 1 17 17 SER H H 1 8.344 0.020 . 1 . . . A 17 SER H . 25967 1 190 . 1 1 17 17 SER HA H 1 4.090 0.020 . 1 . . . A 17 SER HA . 25967 1 191 . 1 1 17 17 SER HB2 H 1 3.837 0.020 . 1 . . . A 17 SER HB2 . 25967 1 192 . 1 1 17 17 SER HB3 H 1 3.837 0.020 . 1 . . . A 17 SER HB3 . 25967 1 193 . 1 1 17 17 SER CA C 13 60.075 0.3 . 1 . . . A 17 SER CA . 25967 1 194 . 1 1 17 17 SER CB C 13 63.066 0.3 . 1 . . . A 17 SER CB . 25967 1 195 . 1 1 17 17 SER N N 15 112.322 0.3 . 1 . . . A 17 SER N . 25967 1 196 . 1 1 18 18 LYS H H 1 7.822 0.020 . 1 . . . A 18 LYS H . 25967 1 197 . 1 1 18 18 LYS HA H 1 4.131 0.020 . 1 . . . A 18 LYS HA . 25967 1 198 . 1 1 18 18 LYS HB2 H 1 1.682 0.020 . 1 . . . A 18 LYS HB2 . 25967 1 199 . 1 1 18 18 LYS HB3 H 1 1.682 0.020 . 1 . . . A 18 LYS HB3 . 25967 1 200 . 1 1 18 18 LYS HG2 H 1 1.362 0.020 . 2 . . . A 18 LYS HG2 . 25967 1 201 . 1 1 18 18 LYS HG3 H 1 1.262 0.020 . 2 . . . A 18 LYS HG3 . 25967 1 202 . 1 1 18 18 LYS HD2 H 1 1.525 0.020 . 1 . . . A 18 LYS HD2 . 25967 1 203 . 1 1 18 18 LYS HD3 H 1 1.525 0.020 . 1 . . . A 18 LYS HD3 . 25967 1 204 . 1 1 18 18 LYS HE2 H 1 2.850 0.020 . 2 . . . A 18 LYS HE2 . 25967 1 205 . 1 1 18 18 LYS HE3 H 1 2.497 0.020 . 2 . . . A 18 LYS HE3 . 25967 1 206 . 1 1 18 18 LYS CA C 13 56.200 0.3 . 1 . . . A 18 LYS CA . 25967 1 207 . 1 1 18 18 LYS CB C 13 32.742 0.3 . 1 . . . A 18 LYS CB . 25967 1 208 . 1 1 18 18 LYS CG C 13 25.577 0.3 . 1 . . . A 18 LYS CG . 25967 1 209 . 1 1 18 18 LYS CD C 13 28.923 0.3 . 1 . . . A 18 LYS CD . 25967 1 210 . 1 1 18 18 LYS CE C 13 42.021 0.3 . 1 . . . A 18 LYS CE . 25967 1 211 . 1 1 18 18 LYS N N 15 119.449 0.3 . 1 . . . A 18 LYS N . 25967 1 212 . 1 1 19 19 VAL H H 1 7.137 0.020 . 1 . . . A 19 VAL H . 25967 1 213 . 1 1 19 19 VAL HA H 1 3.823 0.020 . 1 . . . A 19 VAL HA . 25967 1 214 . 1 1 19 19 VAL HB H 1 1.784 0.020 . 1 . . . A 19 VAL HB . 25967 1 215 . 1 1 19 19 VAL HG11 H 1 0.641 0.020 . 2 . . . A 19 VAL HG11 . 25967 1 216 . 1 1 19 19 VAL HG12 H 1 0.641 0.020 . 2 . . . A 19 VAL HG12 . 25967 1 217 . 1 1 19 19 VAL HG13 H 1 0.641 0.020 . 2 . . . A 19 VAL HG13 . 25967 1 218 . 1 1 19 19 VAL HG21 H 1 0.475 0.020 . 2 . . . A 19 VAL HG21 . 25967 1 219 . 1 1 19 19 VAL HG22 H 1 0.475 0.020 . 2 . . . A 19 VAL HG22 . 25967 1 220 . 1 1 19 19 VAL HG23 H 1 0.475 0.020 . 2 . . . A 19 VAL HG23 . 25967 1 221 . 1 1 19 19 VAL CA C 13 61.873 0.3 . 1 . . . A 19 VAL CA . 25967 1 222 . 1 1 19 19 VAL CB C 13 32.482 0.3 . 1 . . . A 19 VAL CB . 25967 1 223 . 1 1 19 19 VAL CG1 C 13 21.210 0.3 . 1 . . . A 19 VAL CG1 . 25967 1 224 . 1 1 19 19 VAL CG2 C 13 20.334 0.3 . 1 . . . A 19 VAL CG2 . 25967 1 225 . 1 1 19 19 VAL N N 15 119.359 0.3 . 1 . . . A 19 VAL N . 25967 1 226 . 1 1 20 20 GLY H H 1 8.013 0.020 . 1 . . . A 20 GLY H . 25967 1 227 . 1 1 20 20 GLY HA2 H 1 4.309 0.020 . 2 . . . A 20 GLY HA2 . 25967 1 228 . 1 1 20 20 GLY HA3 H 1 3.860 0.020 . 2 . . . A 20 GLY HA3 . 25967 1 229 . 1 1 20 20 GLY CA C 13 44.560 0.3 . 1 . . . A 20 GLY CA . 25967 1 230 . 1 1 20 20 GLY N N 15 113.222 0.3 . 1 . . . A 20 GLY N . 25967 1 231 . 1 1 21 21 PRO HA H 1 4.315 0.020 . 1 . . . A 21 PRO HA . 25967 1 232 . 1 1 21 21 PRO HB2 H 1 2.280 0.020 . 2 . . . A 21 PRO HB2 . 25967 1 233 . 1 1 21 21 PRO HB3 H 1 1.869 0.020 . 2 . . . A 21 PRO HB3 . 25967 1 234 . 1 1 21 21 PRO HG2 H 1 1.941 0.020 . 1 . . . A 21 PRO HG2 . 25967 1 235 . 1 1 21 21 PRO HG3 H 1 1.941 0.020 . 1 . . . A 21 PRO HG3 . 25967 1 236 . 1 1 21 21 PRO HD2 H 1 3.644 0.020 . 2 . . . A 21 PRO HD2 . 25967 1 237 . 1 1 21 21 PRO HD3 H 1 3.529 0.020 . 2 . . . A 21 PRO HD3 . 25967 1 238 . 1 1 21 21 PRO CA C 13 64.623 0.3 . 1 . . . A 21 PRO CA . 25967 1 239 . 1 1 21 21 PRO CB C 13 31.989 0.3 . 1 . . . A 21 PRO CB . 25967 1 240 . 1 1 21 21 PRO CG C 13 27.155 0.3 . 1 . . . A 21 PRO CG . 25967 1 241 . 1 1 21 21 PRO CD C 13 49.718 0.3 . 1 . . . A 21 PRO CD . 25967 1 242 . 1 1 22 22 ASP H H 1 8.496 0.020 . 1 . . . A 22 ASP H . 25967 1 243 . 1 1 22 22 ASP HA H 1 4.752 0.020 . 1 . . . A 22 ASP HA . 25967 1 244 . 1 1 22 22 ASP HB2 H 1 2.781 0.020 . 2 . . . A 22 ASP HB2 . 25967 1 245 . 1 1 22 22 ASP HB3 H 1 2.529 0.020 . 2 . . . A 22 ASP HB3 . 25967 1 246 . 1 1 22 22 ASP C C 13 176.175 0.3 . 1 . . . A 22 ASP C . 25967 1 247 . 1 1 22 22 ASP CA C 13 54.134 0.3 . 1 . . . A 22 ASP CA . 25967 1 248 . 1 1 22 22 ASP CB C 13 40.709 0.3 . 1 . . . A 22 ASP CB . 25967 1 249 . 1 1 22 22 ASP N N 15 115.266 0.3 . 1 . . . A 22 ASP N . 25967 1 250 . 1 1 23 23 GLY H H 1 7.607 0.020 . 1 . . . A 23 GLY H . 25967 1 251 . 1 1 23 23 GLY HA2 H 1 3.447 0.020 . 2 . . . A 23 GLY HA2 . 25967 1 252 . 1 1 23 23 GLY HA3 H 1 3.298 0.020 . 2 . . . A 23 GLY HA3 . 25967 1 253 . 1 1 23 23 GLY C C 13 172.686 0.3 . 1 . . . A 23 GLY C . 25967 1 254 . 1 1 23 23 GLY CA C 13 44.527 0.3 . 1 . . . A 23 GLY CA . 25967 1 255 . 1 1 23 23 GLY N N 15 107.715 0.3 . 1 . . . A 23 GLY N . 25967 1 256 . 1 1 24 24 ARG H H 1 8.311 0.020 . 1 . . . A 24 ARG H . 25967 1 257 . 1 1 24 24 ARG HA H 1 4.407 0.020 . 1 . . . A 24 ARG HA . 25967 1 258 . 1 1 24 24 ARG HB2 H 1 1.556 0.020 . 2 . . . A 24 ARG HB2 . 25967 1 259 . 1 1 24 24 ARG HB3 H 1 1.396 0.020 . 2 . . . A 24 ARG HB3 . 25967 1 260 . 1 1 24 24 ARG HG2 H 1 0.640 0.020 . 1 . . . A 24 ARG HG2 . 25967 1 261 . 1 1 24 24 ARG HG3 H 1 0.640 0.020 . 1 . . . A 24 ARG HG3 . 25967 1 262 . 1 1 24 24 ARG HD2 H 1 3.301 0.020 . 2 . . . A 24 ARG HD2 . 25967 1 263 . 1 1 24 24 ARG HD3 H 1 3.168 0.020 . 2 . . . A 24 ARG HD3 . 25967 1 264 . 1 1 24 24 ARG C C 13 173.818 0.3 . 1 . . . A 24 ARG C . 25967 1 265 . 1 1 24 24 ARG CA C 13 53.971 0.3 . 1 . . . A 24 ARG CA . 25967 1 266 . 1 1 24 24 ARG CB C 13 34.491 0.3 . 1 . . . A 24 ARG CB . 25967 1 267 . 1 1 24 24 ARG CG C 13 26.568 0.3 . 1 . . . A 24 ARG CG . 25967 1 268 . 1 1 24 24 ARG CD C 13 43.044 0.3 . 1 . . . A 24 ARG CD . 25967 1 269 . 1 1 24 24 ARG N N 15 120.346 0.3 . 1 . . . A 24 ARG N . 25967 1 270 . 1 1 25 25 VAL H H 1 8.504 0.020 . 1 . . . A 25 VAL H . 25967 1 271 . 1 1 25 25 VAL HA H 1 4.003 0.020 . 1 . . . A 25 VAL HA . 25967 1 272 . 1 1 25 25 VAL HB H 1 1.693 0.020 . 1 . . . A 25 VAL HB . 25967 1 273 . 1 1 25 25 VAL HG11 H 1 0.766 0.020 . 2 . . . A 25 VAL HG11 . 25967 1 274 . 1 1 25 25 VAL HG12 H 1 0.766 0.020 . 2 . . . A 25 VAL HG12 . 25967 1 275 . 1 1 25 25 VAL HG13 H 1 0.766 0.020 . 2 . . . A 25 VAL HG13 . 25967 1 276 . 1 1 25 25 VAL HG21 H 1 0.581 0.020 . 2 . . . A 25 VAL HG21 . 25967 1 277 . 1 1 25 25 VAL HG22 H 1 0.581 0.020 . 2 . . . A 25 VAL HG22 . 25967 1 278 . 1 1 25 25 VAL HG23 H 1 0.581 0.020 . 2 . . . A 25 VAL HG23 . 25967 1 279 . 1 1 25 25 VAL C C 13 174.954 0.3 . 1 . . . A 25 VAL C . 25967 1 280 . 1 1 25 25 VAL CA C 13 63.431 0.3 . 1 . . . A 25 VAL CA . 25967 1 281 . 1 1 25 25 VAL CB C 13 30.941 0.3 . 1 . . . A 25 VAL CB . 25967 1 282 . 1 1 25 25 VAL CG1 C 13 21.541 0.3 . 1 . . . A 25 VAL CG1 . 25967 1 283 . 1 1 25 25 VAL CG2 C 13 21.200 0.3 . 1 . . . A 25 VAL CG2 . 25967 1 284 . 1 1 25 25 VAL N N 15 127.561 0.3 . 1 . . . A 25 VAL N . 25967 1 285 . 1 1 26 26 VAL H H 1 8.592 0.020 . 1 . . . A 26 VAL H . 25967 1 286 . 1 1 26 26 VAL HA H 1 4.468 0.020 . 1 . . . A 26 VAL HA . 25967 1 287 . 1 1 26 26 VAL HB H 1 1.039 0.020 . 1 . . . A 26 VAL HB . 25967 1 288 . 1 1 26 26 VAL HG11 H 1 0.225 0.020 . 2 . . . A 26 VAL HG11 . 25967 1 289 . 1 1 26 26 VAL HG12 H 1 0.225 0.020 . 2 . . . A 26 VAL HG12 . 25967 1 290 . 1 1 26 26 VAL HG13 H 1 0.225 0.020 . 2 . . . A 26 VAL HG13 . 25967 1 291 . 1 1 26 26 VAL HG21 H 1 -0.819 0.020 . 2 . . . A 26 VAL HG21 . 25967 1 292 . 1 1 26 26 VAL HG22 H 1 -0.819 0.020 . 2 . . . A 26 VAL HG22 . 25967 1 293 . 1 1 26 26 VAL HG23 H 1 -0.819 0.020 . 2 . . . A 26 VAL HG23 . 25967 1 294 . 1 1 26 26 VAL C C 13 172.779 0.3 . 1 . . . A 26 VAL C . 25967 1 295 . 1 1 26 26 VAL CA C 13 58.385 0.3 . 1 . . . A 26 VAL CA . 25967 1 296 . 1 1 26 26 VAL CB C 13 34.004 0.3 . 1 . . . A 26 VAL CB . 25967 1 297 . 1 1 26 26 VAL CG1 C 13 21.214 0.3 . 1 . . . A 26 VAL CG1 . 25967 1 298 . 1 1 26 26 VAL CG2 C 13 16.665 0.3 . 1 . . . A 26 VAL CG2 . 25967 1 299 . 1 1 26 26 VAL N N 15 123.713 0.3 . 1 . . . A 26 VAL N . 25967 1 300 . 1 1 27 27 ARG H H 1 7.690 0.020 . 1 . . . A 27 ARG H . 25967 1 301 . 1 1 27 27 ARG HA H 1 5.017 0.020 . 1 . . . A 27 ARG HA . 25967 1 302 . 1 1 27 27 ARG HB2 H 1 1.218 0.020 . 2 . . . A 27 ARG HB2 . 25967 1 303 . 1 1 27 27 ARG HB3 H 1 1.442 0.020 . 2 . . . A 27 ARG HB3 . 25967 1 304 . 1 1 27 27 ARG HG2 H 1 1.090 0.020 . 1 . . . A 27 ARG HG2 . 25967 1 305 . 1 1 27 27 ARG HG3 H 1 1.090 0.020 . 1 . . . A 27 ARG HG3 . 25967 1 306 . 1 1 27 27 ARG HD2 H 1 2.955 0.020 . 1 . . . A 27 ARG HD2 . 25967 1 307 . 1 1 27 27 ARG HD3 H 1 2.955 0.020 . 1 . . . A 27 ARG HD3 . 25967 1 308 . 1 1 27 27 ARG C C 13 174.789 0.3 . 1 . . . A 27 ARG C . 25967 1 309 . 1 1 27 27 ARG CA C 13 53.338 0.3 . 1 . . . A 27 ARG CA . 25967 1 310 . 1 1 27 27 ARG CB C 13 33.426 0.3 . 1 . . . A 27 ARG CB . 25967 1 311 . 1 1 27 27 ARG CG C 13 27.401 0.3 . 1 . . . A 27 ARG CG . 25967 1 312 . 1 1 27 27 ARG CD C 13 43.475 0.3 . 1 . . . A 27 ARG CD . 25967 1 313 . 1 1 27 27 ARG N N 15 118.716 0.3 . 1 . . . A 27 ARG N . 25967 1 314 . 1 1 28 28 CYS H H 1 9.248 0.020 . 1 . . . A 28 CYS H . 25967 1 315 . 1 1 28 28 CYS HA H 1 4.076 0.020 . 1 . . . A 28 CYS HA . 25967 1 316 . 1 1 28 28 CYS HB2 H 1 3.374 0.020 . 1 . . . A 28 CYS HB2 . 25967 1 317 . 1 1 28 28 CYS HB3 H 1 3.374 0.020 . 1 . . . A 28 CYS HB3 . 25967 1 318 . 1 1 28 28 CYS C C 13 176.672 0.3 . 1 . . . A 28 CYS C . 25967 1 319 . 1 1 28 28 CYS CA C 13 59.449 0.3 . 1 . . . A 28 CYS CA . 25967 1 320 . 1 1 28 28 CYS CB C 13 31.423 0.3 . 1 . . . A 28 CYS CB . 25967 1 321 . 1 1 28 28 CYS N N 15 128.785 0.3 . 1 . . . A 28 CYS N . 25967 1 322 . 1 1 29 29 ALA H H 1 7.991 0.020 . 1 . . . A 29 ALA H . 25967 1 323 . 1 1 29 29 ALA HA H 1 4.164 0.020 . 1 . . . A 29 ALA HA . 25967 1 324 . 1 1 29 29 ALA HB1 H 1 1.475 0.020 . 1 . . . A 29 ALA HB1 . 25967 1 325 . 1 1 29 29 ALA HB2 H 1 1.475 0.020 . 1 . . . A 29 ALA HB2 . 25967 1 326 . 1 1 29 29 ALA HB3 H 1 1.475 0.020 . 1 . . . A 29 ALA HB3 . 25967 1 327 . 1 1 29 29 ALA C C 13 177.982 0.3 . 1 . . . A 29 ALA C . 25967 1 328 . 1 1 29 29 ALA CA C 13 54.125 0.3 . 1 . . . A 29 ALA CA . 25967 1 329 . 1 1 29 29 ALA CB C 13 19.244 0.3 . 1 . . . A 29 ALA CB . 25967 1 330 . 1 1 29 29 ALA N N 15 132.025 0.3 . 1 . . . A 29 ALA N . 25967 1 331 . 1 1 30 30 SER H H 1 8.556 0.020 . 1 . . . A 30 SER H . 25967 1 332 . 1 1 30 30 SER HA H 1 4.389 0.020 . 1 . . . A 30 SER HA . 25967 1 333 . 1 1 30 30 SER HB2 H 1 4.003 0.020 . 2 . . . A 30 SER HB2 . 25967 1 334 . 1 1 30 30 SER HB3 H 1 3.839 0.020 . 2 . . . A 30 SER HB3 . 25967 1 335 . 1 1 30 30 SER C C 13 175.679 0.3 . 1 . . . A 30 SER C . 25967 1 336 . 1 1 30 30 SER CA C 13 60.656 0.3 . 1 . . . A 30 SER CA . 25967 1 337 . 1 1 30 30 SER CB C 13 63.434 0.3 . 1 . . . A 30 SER CB . 25967 1 338 . 1 1 30 30 SER N N 15 114.708 0.3 . 1 . . . A 30 SER N . 25967 1 339 . 1 1 31 31 CYS H H 1 8.728 0.020 . 1 . . . A 31 CYS H . 25967 1 340 . 1 1 31 31 CYS HA H 1 4.994 0.020 . 1 . . . A 31 CYS HA . 25967 1 341 . 1 1 31 31 CYS HB2 H 1 3.239 0.020 . 2 . . . A 31 CYS HB2 . 25967 1 342 . 1 1 31 31 CYS HB3 H 1 2.552 0.020 . 2 . . . A 31 CYS HB3 . 25967 1 343 . 1 1 31 31 CYS C C 13 176.824 0.3 . 1 . . . A 31 CYS C . 25967 1 344 . 1 1 31 31 CYS CA C 13 58.403 0.3 . 1 . . . A 31 CYS CA . 25967 1 345 . 1 1 31 31 CYS CB C 13 32.866 0.3 . 1 . . . A 31 CYS CB . 25967 1 346 . 1 1 31 31 CYS N N 15 119.260 0.3 . 1 . . . A 31 CYS N . 25967 1 347 . 1 1 32 32 GLY H H 1 7.862 0.020 . 1 . . . A 32 GLY H . 25967 1 348 . 1 1 32 32 GLY HA2 H 1 4.220 0.020 . 2 . . . A 32 GLY HA2 . 25967 1 349 . 1 1 32 32 GLY HA3 H 1 3.719 0.020 . 2 . . . A 32 GLY HA3 . 25967 1 350 . 1 1 32 32 GLY C C 13 173.784 0.3 . 1 . . . A 32 GLY C . 25967 1 351 . 1 1 32 32 GLY CA C 13 45.877 0.3 . 1 . . . A 32 GLY CA . 25967 1 352 . 1 1 32 32 GLY N N 15 113.351 0.3 . 1 . . . A 32 GLY N . 25967 1 353 . 1 1 33 33 ASN H H 1 9.027 0.020 . 1 . . . A 33 ASN H . 25967 1 354 . 1 1 33 33 ASN HA H 1 4.449 0.020 . 1 . . . A 33 ASN HA . 25967 1 355 . 1 1 33 33 ASN HB2 H 1 2.719 0.020 . 2 . . . A 33 ASN HB2 . 25967 1 356 . 1 1 33 33 ASN HB3 H 1 2.982 0.020 . 2 . . . A 33 ASN HB3 . 25967 1 357 . 1 1 33 33 ASN HD21 H 1 6.253 0.020 . 1 . . . A 33 ASN HD21 . 25967 1 358 . 1 1 33 33 ASN HD22 H 1 7.296 0.020 . 1 . . . A 33 ASN HD22 . 25967 1 359 . 1 1 33 33 ASN C C 13 173.301 0.3 . 1 . . . A 33 ASN C . 25967 1 360 . 1 1 33 33 ASN CA C 13 55.509 0.3 . 1 . . . A 33 ASN CA . 25967 1 361 . 1 1 33 33 ASN CB C 13 41.147 0.3 . 1 . . . A 33 ASN CB . 25967 1 362 . 1 1 33 33 ASN N N 15 122.452 0.3 . 1 . . . A 33 ASN N . 25967 1 363 . 1 1 33 33 ASN ND2 N 15 114.566 0.3 . 1 . . . A 33 ASN ND2 . 25967 1 364 . 1 1 34 34 ARG H H 1 7.931 0.020 . 1 . . . A 34 ARG H . 25967 1 365 . 1 1 34 34 ARG HA H 1 5.700 0.020 . 1 . . . A 34 ARG HA . 25967 1 366 . 1 1 34 34 ARG HB2 H 1 1.523 0.020 . 2 . . . A 34 ARG HB2 . 25967 1 367 . 1 1 34 34 ARG HB3 H 1 1.566 0.020 . 2 . . . A 34 ARG HB3 . 25967 1 368 . 1 1 34 34 ARG HG2 H 1 1.268 0.020 . 1 . . . A 34 ARG HG2 . 25967 1 369 . 1 1 34 34 ARG HG3 H 1 1.268 0.020 . 1 . . . A 34 ARG HG3 . 25967 1 370 . 1 1 34 34 ARG HD2 H 1 3.003 0.020 . 1 . . . A 34 ARG HD2 . 25967 1 371 . 1 1 34 34 ARG HD3 H 1 3.003 0.020 . 1 . . . A 34 ARG HD3 . 25967 1 372 . 1 1 34 34 ARG C C 13 175.272 0.3 . 1 . . . A 34 ARG C . 25967 1 373 . 1 1 34 34 ARG CA C 13 54.431 0.3 . 1 . . . A 34 ARG CA . 25967 1 374 . 1 1 34 34 ARG CB C 13 33.098 0.3 . 1 . . . A 34 ARG CB . 25967 1 375 . 1 1 34 34 ARG CG C 13 27.577 0.3 . 1 . . . A 34 ARG CG . 25967 1 376 . 1 1 34 34 ARG CD C 13 43.885 0.3 . 1 . . . A 34 ARG CD . 25967 1 377 . 1 1 34 34 ARG N N 15 124.520 0.3 . 1 . . . A 34 ARG N . 25967 1 378 . 1 1 35 35 TRP H H 1 8.821 0.020 . 1 . . . A 35 TRP H . 25967 1 379 . 1 1 35 35 TRP HA H 1 4.878 0.020 . 1 . . . A 35 TRP HA . 25967 1 380 . 1 1 35 35 TRP HB2 H 1 3.272 0.020 . 2 . . . A 35 TRP HB2 . 25967 1 381 . 1 1 35 35 TRP HB3 H 1 3.206 0.020 . 2 . . . A 35 TRP HB3 . 25967 1 382 . 1 1 35 35 TRP HD1 H 1 6.903 0.020 . 1 . . . A 35 TRP HD1 . 25967 1 383 . 1 1 35 35 TRP HE1 H 1 10.153 0.020 . 1 . . . A 35 TRP HE1 . 25967 1 384 . 1 1 35 35 TRP HE3 H 1 7.191 0.020 . 1 . . . A 35 TRP HE3 . 25967 1 385 . 1 1 35 35 TRP HZ2 H 1 6.898 0.020 . 1 . . . A 35 TRP HZ2 . 25967 1 386 . 1 1 35 35 TRP HZ3 H 1 6.875 0.020 . 1 . . . A 35 TRP HZ3 . 25967 1 387 . 1 1 35 35 TRP HH2 H 1 6.644 0.020 . 1 . . . A 35 TRP HH2 . 25967 1 388 . 1 1 35 35 TRP C C 13 172.042 0.3 . 1 . . . A 35 TRP C . 25967 1 389 . 1 1 35 35 TRP CA C 13 56.299 0.3 . 1 . . . A 35 TRP CA . 25967 1 390 . 1 1 35 35 TRP CB C 13 32.177 0.3 . 1 . . . A 35 TRP CB . 25967 1 391 . 1 1 35 35 TRP CD1 C 13 128.316 0.3 . 1 . . . A 35 TRP CD1 . 25967 1 392 . 1 1 35 35 TRP CE3 C 13 122.853 0.3 . 1 . . . A 35 TRP CE3 . 25967 1 393 . 1 1 35 35 TRP CZ2 C 13 113.806 0.3 . 1 . . . A 35 TRP CZ2 . 25967 1 394 . 1 1 35 35 TRP CZ3 C 13 121.741 0.3 . 1 . . . A 35 TRP CZ3 . 25967 1 395 . 1 1 35 35 TRP CH2 C 13 121.949 0.3 . 1 . . . A 35 TRP CH2 . 25967 1 396 . 1 1 35 35 TRP N N 15 125.849 0.3 . 1 . . . A 35 TRP N . 25967 1 397 . 1 1 35 35 TRP NE1 N 15 128.395 0.3 . 1 . . . A 35 TRP NE1 . 25967 1 398 . 1 1 36 36 THR H H 1 8.312 0.020 . 1 . . . A 36 THR H . 25967 1 399 . 1 1 36 36 THR HA H 1 4.184 0.020 . 1 . . . A 36 THR HA . 25967 1 400 . 1 1 36 36 THR HB H 1 3.862 0.020 . 1 . . . A 36 THR HB . 25967 1 401 . 1 1 36 36 THR HG21 H 1 0.501 0.020 . 1 . . . A 36 THR HG21 . 25967 1 402 . 1 1 36 36 THR HG22 H 1 0.501 0.020 . 1 . . . A 36 THR HG22 . 25967 1 403 . 1 1 36 36 THR HG23 H 1 0.501 0.020 . 1 . . . A 36 THR HG23 . 25967 1 404 . 1 1 36 36 THR C C 13 172.347 0.3 . 1 . . . A 36 THR C . 25967 1 405 . 1 1 36 36 THR CA C 13 62.123 0.3 . 1 . . . A 36 THR CA . 25967 1 406 . 1 1 36 36 THR CB C 13 68.353 0.3 . 1 . . . A 36 THR CB . 25967 1 407 . 1 1 36 36 THR CG2 C 13 22.276 0.3 . 1 . . . A 36 THR CG2 . 25967 1 408 . 1 1 36 36 THR N N 15 115.452 0.3 . 1 . . . A 36 THR N . 25967 1 409 . 1 1 37 37 ALA H H 1 8.488 0.020 . 1 . . . A 37 ALA H . 25967 1 410 . 1 1 37 37 ALA HA H 1 4.466 0.020 . 1 . . . A 37 ALA HA . 25967 1 411 . 1 1 37 37 ALA HB1 H 1 0.955 0.020 . 1 . . . A 37 ALA HB1 . 25967 1 412 . 1 1 37 37 ALA HB2 H 1 0.955 0.020 . 1 . . . A 37 ALA HB2 . 25967 1 413 . 1 1 37 37 ALA HB3 H 1 0.955 0.020 . 1 . . . A 37 ALA HB3 . 25967 1 414 . 1 1 37 37 ALA C C 13 174.929 0.3 . 1 . . . A 37 ALA C . 25967 1 415 . 1 1 37 37 ALA CA C 13 50.472 0.3 . 1 . . . A 37 ALA CA . 25967 1 416 . 1 1 37 37 ALA CB C 13 21.810 0.3 . 1 . . . A 37 ALA CB . 25967 1 417 . 1 1 37 37 ALA N N 15 130.928 0.3 . 1 . . . A 37 ALA N . 25967 1 418 . 1 1 38 38 PHE H H 1 8.051 0.020 . 1 . . . A 38 PHE H . 25967 1 419 . 1 1 38 38 PHE HA H 1 4.556 0.020 . 1 . . . A 38 PHE HA . 25967 1 420 . 1 1 38 38 PHE HB2 H 1 3.071 0.020 . 2 . . . A 38 PHE HB2 . 25967 1 421 . 1 1 38 38 PHE HB3 H 1 2.607 0.020 . 2 . . . A 38 PHE HB3 . 25967 1 422 . 1 1 38 38 PHE HD1 H 1 7.126 0.020 . 1 . . . A 38 PHE HD1 . 25967 1 423 . 1 1 38 38 PHE HD2 H 1 7.126 0.020 . 1 . . . A 38 PHE HD2 . 25967 1 424 . 1 1 38 38 PHE HE1 H 1 7.195 0.020 . 1 . . . A 38 PHE HE1 . 25967 1 425 . 1 1 38 38 PHE HE2 H 1 7.195 0.020 . 1 . . . A 38 PHE HE2 . 25967 1 426 . 1 1 38 38 PHE C C 13 175.445 0.3 . 1 . . . A 38 PHE C . 25967 1 427 . 1 1 38 38 PHE CA C 13 56.660 0.3 . 1 . . . A 38 PHE CA . 25967 1 428 . 1 1 38 38 PHE CB C 13 42.401 0.3 . 1 . . . A 38 PHE CB . 25967 1 429 . 1 1 38 38 PHE CD1 C 13 131.690 0.3 . 1 . . . A 38 PHE CD1 . 25967 1 430 . 1 1 38 38 PHE CE1 C 13 129.620 0.3 . 1 . . . A 38 PHE CE1 . 25967 1 431 . 1 1 38 38 PHE N N 15 115.843 0.3 . 1 . . . A 38 PHE N . 25967 1 432 . 1 1 39 39 LYS H H 1 8.636 0.020 . 1 . . . A 39 LYS H . 25967 1 433 . 1 1 39 39 LYS HA H 1 4.100 0.020 . 1 . . . A 39 LYS HA . 25967 1 434 . 1 1 39 39 LYS HB2 H 1 1.636 0.020 . 2 . . . A 39 LYS HB2 . 25967 1 435 . 1 1 39 39 LYS HB3 H 1 1.598 0.020 . 2 . . . A 39 LYS HB3 . 25967 1 436 . 1 1 39 39 LYS HG2 H 1 1.341 0.020 . 1 . . . A 39 LYS HG2 . 25967 1 437 . 1 1 39 39 LYS HG3 H 1 1.341 0.020 . 1 . . . A 39 LYS HG3 . 25967 1 438 . 1 1 39 39 LYS HD2 H 1 0.637 0.020 . 1 . . . A 39 LYS HD2 . 25967 1 439 . 1 1 39 39 LYS HE2 H 1 3.072 0.020 . 2 . . . A 39 LYS HE2 . 25967 1 440 . 1 1 39 39 LYS HE3 H 1 2.490 0.020 . 2 . . . A 39 LYS HE3 . 25967 1 441 . 1 1 39 39 LYS CA C 13 57.024 0.3 . 1 . . . A 39 LYS CA . 25967 1 442 . 1 1 39 39 LYS CB C 13 33.108 0.3 . 1 . . . A 39 LYS CB . 25967 1 443 . 1 1 39 39 LYS CG C 13 24.720 0.3 . 1 . . . A 39 LYS CG . 25967 1 444 . 1 1 39 39 LYS CD C 13 23.184 0.3 . 1 . . . A 39 LYS CD . 25967 1 445 . 1 1 39 39 LYS CE C 13 42.093 0.3 . 1 . . . A 39 LYS CE . 25967 1 446 . 1 1 39 39 LYS N N 15 121.181 0.3 . 1 . . . A 39 LYS N . 25967 1 447 . 1 1 40 40 ASP H H 1 8.365 0.020 . 1 . . . A 40 ASP H . 25967 1 448 . 1 1 40 40 ASP HA H 1 4.510 0.020 . 1 . . . A 40 ASP HA . 25967 1 449 . 1 1 40 40 ASP HB2 H 1 2.656 0.020 . 2 . . . A 40 ASP HB2 . 25967 1 450 . 1 1 40 40 ASP HB3 H 1 2.553 0.020 . 2 . . . A 40 ASP HB3 . 25967 1 451 . 1 1 40 40 ASP CA C 13 54.240 0.3 . 1 . . . A 40 ASP CA . 25967 1 452 . 1 1 40 40 ASP CB C 13 41.181 0.3 . 1 . . . A 40 ASP CB . 25967 1 453 . 1 1 40 40 ASP N N 15 121.710 0.3 . 1 . . . A 40 ASP N . 25967 1 454 . 1 1 41 41 GLU H H 1 8.280 0.020 . 1 . . . A 41 GLU H . 25967 1 455 . 1 1 41 41 GLU HA H 1 4.199 0.020 . 1 . . . A 41 GLU HA . 25967 1 456 . 1 1 41 41 GLU HB2 H 1 1.922 0.020 . 2 . . . A 41 GLU HB2 . 25967 1 457 . 1 1 41 41 GLU HB3 H 1 2.042 0.020 . 2 . . . A 41 GLU HB3 . 25967 1 458 . 1 1 41 41 GLU HG2 H 1 2.198 0.020 . 1 . . . A 41 GLU HG2 . 25967 1 459 . 1 1 41 41 GLU HG3 H 1 2.198 0.020 . 1 . . . A 41 GLU HG3 . 25967 1 460 . 1 1 41 41 GLU CA C 13 56.360 0.3 . 1 . . . A 41 GLU CA . 25967 1 461 . 1 1 41 41 GLU CB C 13 30.200 0.3 . 1 . . . A 41 GLU CB . 25967 1 462 . 1 1 41 41 GLU CG C 13 36.322 0.3 . 1 . . . A 41 GLU CG . 25967 1 463 . 1 1 41 41 GLU N N 15 121.416 0.3 . 1 . . . A 41 GLU N . 25967 1 464 . 1 1 42 42 ALA H H 1 8.139 0.020 . 1 . . . A 42 ALA H . 25967 1 465 . 1 1 42 42 ALA HA H 1 4.214 0.020 . 1 . . . A 42 ALA HA . 25967 1 466 . 1 1 42 42 ALA HB1 H 1 1.326 0.020 . 1 . . . A 42 ALA HB1 . 25967 1 467 . 1 1 42 42 ALA HB2 H 1 1.326 0.020 . 1 . . . A 42 ALA HB2 . 25967 1 468 . 1 1 42 42 ALA HB3 H 1 1.326 0.020 . 1 . . . A 42 ALA HB3 . 25967 1 469 . 1 1 42 42 ALA CA C 13 52.764 0.3 . 1 . . . A 42 ALA CA . 25967 1 470 . 1 1 42 42 ALA CB C 13 19.489 0.3 . 1 . . . A 42 ALA CB . 25967 1 471 . 1 1 42 42 ALA N N 15 124.271 0.3 . 1 . . . A 42 ALA N . 25967 1 472 . 1 1 43 43 GLU H H 1 8.210 0.020 . 1 . . . A 43 GLU H . 25967 1 473 . 1 1 43 43 GLU HA H 1 4.166 0.020 . 1 . . . A 43 GLU HA . 25967 1 474 . 1 1 43 43 GLU HB2 H 1 1.910 0.020 . 2 . . . A 43 GLU HB2 . 25967 1 475 . 1 1 43 43 GLU HB3 H 1 1.826 0.020 . 2 . . . A 43 GLU HB3 . 25967 1 476 . 1 1 43 43 GLU HG2 H 1 2.135 0.020 . 1 . . . A 43 GLU HG2 . 25967 1 477 . 1 1 43 43 GLU HG3 H 1 2.135 0.020 . 1 . . . A 43 GLU HG3 . 25967 1 478 . 1 1 43 43 GLU CA C 13 56.267 0.3 . 1 . . . A 43 GLU CA . 25967 1 479 . 1 1 43 43 GLU CB C 13 30.084 0.3 . 1 . . . A 43 GLU CB . 25967 1 480 . 1 1 43 43 GLU CG C 13 36.189 0.3 . 1 . . . A 43 GLU CG . 25967 1 481 . 1 1 43 43 GLU N N 15 119.820 0.3 . 1 . . . A 43 GLU N . 25967 1 stop_ save_