data_34818 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34818 _Entry.Title ; Structural basis of aggregate binding/recognition by the AAA+ disaggregase ClpG ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-05-25 _Entry.Accession_date 2023-05-25 _Entry.Last_release_date 2023-11-05 _Entry.Original_release_date 2023-11-05 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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 B. Simon B. . . . 34818 2 J. Hennig J. . . . 34818 3 A. Mogk A. . . . 34818 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID '70 kilodalton heat shock protein (Hsp70)' . 34818 'ATPase associated with diverse cellular activities (AAA)' . 34818 CHAPERONE . 34818 'molecular chaperone' . 34818 'protein aggregation' . 34818 stress . 34818 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34818 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 175 34818 '15N chemical shifts' 57 34818 '1H chemical shifts' 349 34818 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 . . 2024-02-12 2023-05-25 update BMRB 'update entry citation' 34818 1 . . 2023-11-06 2023-05-25 original author 'original release' 34818 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8P66 'BMRB Entry Tracking System' 34818 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34818 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37827289 _Citation.DOI 10.1016/j.jbc.2023.105336 _Citation.Full_citation . _Citation.Title ; Structural basis of aggregate binding by the AAA+ disaggregase ClpG. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 299 _Citation.Journal_issue 11 _Citation.Journal_ASTM JBCHA3 _Citation.Journal_ISSN 1083-351X _Citation.Journal_CSD 0071 _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 105336 _Citation.Page_last 105336 _Citation.Year 2023 _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 P. Katikaridis P. . . . 34818 1 2 B. Simon B. . . . 34818 1 3 T. Jenne T. . . . 34818 1 4 S. Moon S. . . . 34818 1 5 C. Lee C. . . . 34818 1 6 J. Hennig J. . . . 34818 1 7 A. Mogk A. . . . 34818 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34818 _Assembly.ID 1 _Assembly.Name 'Clp protease ClpC' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 unit_1 1 $entity_1 A B yes . . . . . . 34818 1 2 unit_2 2 $entity_ZN B B no . . . . . . 34818 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 CYS 6 6 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34818 1 2 coordination single . 1 . 1 CYS 9 9 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34818 1 3 coordination single . 1 . 1 CYS 31 31 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34818 1 4 coordination single . 1 . 1 HIS 34 34 NE2 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34818 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34818 _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 B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MARKQCQVCGQPATVRVEAN LNGRHSTMLLCDDHYRQLVR QQKRTVWSHPQFEK ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 54 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6392.364 _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 . 34818 1 2 . ALA . 34818 1 3 . ARG . 34818 1 4 . LYS . 34818 1 5 . GLN . 34818 1 6 . CYS . 34818 1 7 . GLN . 34818 1 8 . VAL . 34818 1 9 . CYS . 34818 1 10 . GLY . 34818 1 11 . GLN . 34818 1 12 . PRO . 34818 1 13 . ALA . 34818 1 14 . THR . 34818 1 15 . VAL . 34818 1 16 . ARG . 34818 1 17 . VAL . 34818 1 18 . GLU . 34818 1 19 . ALA . 34818 1 20 . ASN . 34818 1 21 . LEU . 34818 1 22 . ASN . 34818 1 23 . GLY . 34818 1 24 . ARG . 34818 1 25 . HIS . 34818 1 26 . SER . 34818 1 27 . THR . 34818 1 28 . MET . 34818 1 29 . LEU . 34818 1 30 . LEU . 34818 1 31 . CYS . 34818 1 32 . ASP . 34818 1 33 . ASP . 34818 1 34 . HIS . 34818 1 35 . TYR . 34818 1 36 . ARG . 34818 1 37 . GLN . 34818 1 38 . LEU . 34818 1 39 . VAL . 34818 1 40 . ARG . 34818 1 41 . GLN . 34818 1 42 . GLN . 34818 1 43 . LYS . 34818 1 44 . ARG . 34818 1 45 . THR . 34818 1 46 . VAL . 34818 1 47 . TRP . 34818 1 48 . SER . 34818 1 49 . HIS . 34818 1 50 . PRO . 34818 1 51 . GLN . 34818 1 52 . PHE . 34818 1 53 . GLU . 34818 1 54 . LYS . 34818 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 34818 1 . ALA 2 2 34818 1 . ARG 3 3 34818 1 . LYS 4 4 34818 1 . GLN 5 5 34818 1 . CYS 6 6 34818 1 . GLN 7 7 34818 1 . VAL 8 8 34818 1 . CYS 9 9 34818 1 . GLY 10 10 34818 1 . GLN 11 11 34818 1 . PRO 12 12 34818 1 . ALA 13 13 34818 1 . THR 14 14 34818 1 . VAL 15 15 34818 1 . ARG 16 16 34818 1 . VAL 17 17 34818 1 . GLU 18 18 34818 1 . ALA 19 19 34818 1 . ASN 20 20 34818 1 . LEU 21 21 34818 1 . ASN 22 22 34818 1 . GLY 23 23 34818 1 . ARG 24 24 34818 1 . HIS 25 25 34818 1 . SER 26 26 34818 1 . THR 27 27 34818 1 . MET 28 28 34818 1 . LEU 29 29 34818 1 . LEU 30 30 34818 1 . CYS 31 31 34818 1 . ASP 32 32 34818 1 . ASP 33 33 34818 1 . HIS 34 34 34818 1 . TYR 35 35 34818 1 . ARG 36 36 34818 1 . GLN 37 37 34818 1 . LEU 38 38 34818 1 . VAL 39 39 34818 1 . ARG 40 40 34818 1 . GLN 41 41 34818 1 . GLN 42 42 34818 1 . LYS 43 43 34818 1 . ARG 44 44 34818 1 . THR 45 45 34818 1 . VAL 46 46 34818 1 . TRP 47 47 34818 1 . SER 48 48 34818 1 . HIS 49 49 34818 1 . PRO 50 50 34818 1 . GLN 51 51 34818 1 . PHE 52 52 34818 1 . GLU 53 53 34818 1 . LYS 54 54 34818 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 34818 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 34818 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 34818 2 ZN 'Three letter code' 34818 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 34818 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 34818 _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 . 287 organism . 'Pseudomonas aeruginosa' 'Pseudomonas aeruginosa' . . Bacteria . Pseudomonas aeruginosa . . . . . . . . . . . 'BI380_06745, clpK' . 34818 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 34818 _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' . . 562 Escherichia coli . . . . . . . . . . 34818 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 34818 _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 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _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.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag no _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 34818 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 34818 ZN [Zn++] SMILES CACTVS 3.341 34818 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 34818 ZN [Zn+2] SMILES ACDLabs 10.04 34818 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 34818 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34818 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 34818 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34818 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 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 34818 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34818 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.8 mM [U-100% 13C; U-100% 15N] ClpG, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 ClpG '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.8 . . mM . . . . 34818 1 2 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 34818 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 34818 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 50 . mM 34818 1 pH 6.5 . pH 34818 1 pressure 1 . atm 34818 1 temperature 298 . K 34818 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34818 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version 5.0.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 34818 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34818 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34818 _Software.ID 2 _Software.Type . _Software.Name CNS _Software.Version 1.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34818 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34818 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34818 _Software.ID 3 _Software.Type . _Software.Name ARIA _Software.Version 1.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34818 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34818 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34818 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34818 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34818 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34818 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 34818 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 700 . . . 34818 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 34818 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34818 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34818 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34818 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34818 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34818 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34818 1 7 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34818 1 8 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34818 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34818 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 water protons . . . . ppm 4.773 internal indirect 0.25144953 . . . . . 34818 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . 34818 1 N 15 water protons . . . . ppm 4.773 internal indirect 0.101329118 . . . . . 34818 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34818 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 34818 1 2 '3D 1H-13C NOESY' . . . 34818 1 3 '3D HNCACB' . . . 34818 1 4 '3D CBCA(CO)NH' . . . 34818 1 5 '3D HNCA' . . . 34818 1 6 '3D HCCH-TOCSY' . . . 34818 1 7 '3D HNCO' . . . 34818 1 8 '3D H(CCO)NH' . . . 34818 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 HE1 H 1 1.914 . . . . . . . B 1 MET HE1 . 34818 1 2 . 1 . 1 1 1 MET HE2 H 1 1.914 . . . . . . . B 1 MET HE2 . 34818 1 3 . 1 . 1 1 1 MET HE3 H 1 1.914 . . . . . . . B 1 MET HE3 . 34818 1 4 . 1 . 1 1 1 MET CE C 13 17.250 . . . . . . . B 1 MET CE . 34818 1 5 . 1 . 1 2 2 ALA HA H 1 4.344 . . . . . . . B 2 ALA HA . 34818 1 6 . 1 . 1 2 2 ALA HB1 H 1 1.408 . . . . . . . B 2 ALA HB1 . 34818 1 7 . 1 . 1 2 2 ALA HB2 H 1 1.408 . . . . . . . B 2 ALA HB2 . 34818 1 8 . 1 . 1 2 2 ALA HB3 H 1 1.408 . . . . . . . B 2 ALA HB3 . 34818 1 9 . 1 . 1 2 2 ALA CA C 13 52.403 . . . . . . . B 2 ALA CA . 34818 1 10 . 1 . 1 2 2 ALA CB C 13 19.189 . . . . . . . B 2 ALA CB . 34818 1 11 . 1 . 1 3 3 ARG H H 1 8.208 . . . . . . . B 3 ARG H . 34818 1 12 . 1 . 1 3 3 ARG HA H 1 4.353 . . . . . . . B 3 ARG HA . 34818 1 13 . 1 . 1 3 3 ARG HB2 H 1 1.765 . . . . . . . B 3 ARG HB2 . 34818 1 14 . 1 . 1 3 3 ARG HB3 H 1 1.899 . . . . . . . B 3 ARG HB3 . 34818 1 15 . 1 . 1 3 3 ARG HG2 H 1 1.624 . . . . . . . B 3 ARG HG2 . 34818 1 16 . 1 . 1 3 3 ARG HG3 H 1 1.655 . . . . . . . B 3 ARG HG3 . 34818 1 17 . 1 . 1 3 3 ARG HD2 H 1 3.180 . . . . . . . B 3 ARG HD2 . 34818 1 18 . 1 . 1 3 3 ARG HD3 H 1 3.211 . . . . . . . B 3 ARG HD3 . 34818 1 19 . 1 . 1 3 3 ARG CA C 13 56.184 . . . . . . . B 3 ARG CA . 34818 1 20 . 1 . 1 3 3 ARG CB C 13 30.831 . . . . . . . B 3 ARG CB . 34818 1 21 . 1 . 1 3 3 ARG CG C 13 27.100 . . . . . . . B 3 ARG CG . 34818 1 22 . 1 . 1 3 3 ARG CD C 13 43.333 . . . . . . . B 3 ARG CD . 34818 1 23 . 1 . 1 3 3 ARG N N 15 119.667 . . . . . . . B 3 ARG N . 34818 1 24 . 1 . 1 4 4 LYS H H 1 8.701 . . . . . . . B 4 LYS H . 34818 1 25 . 1 . 1 4 4 LYS HA H 1 4.382 . . . . . . . B 4 LYS HA . 34818 1 26 . 1 . 1 4 4 LYS HB3 H 1 1.730 . . . . . . . B 4 LYS HB3 . 34818 1 27 . 1 . 1 4 4 LYS HG3 H 1 1.747 . . . . . . . B 4 LYS HG3 . 34818 1 28 . 1 . 1 4 4 LYS HD2 H 1 1.419 . . . . . . . B 4 LYS HD2 . 34818 1 29 . 1 . 1 4 4 LYS HD3 H 1 1.485 . . . . . . . B 4 LYS HD3 . 34818 1 30 . 1 . 1 4 4 LYS CA C 13 55.581 . . . . . . . B 4 LYS CA . 34818 1 31 . 1 . 1 4 4 LYS CB C 13 33.312 . . . . . . . B 4 LYS CB . 34818 1 32 . 1 . 1 4 4 LYS CG C 13 28.884 . . . . . . . B 4 LYS CG . 34818 1 33 . 1 . 1 4 4 LYS CD C 13 24.994 . . . . . . . B 4 LYS CD . 34818 1 34 . 1 . 1 4 4 LYS CE C 13 42.197 . . . . . . . B 4 LYS CE . 34818 1 35 . 1 . 1 4 4 LYS N N 15 123.015 . . . . . . . B 4 LYS N . 34818 1 36 . 1 . 1 5 5 GLN H H 1 8.520 . . . . . . . B 5 GLN H . 34818 1 37 . 1 . 1 5 5 GLN HA H 1 4.530 . . . . . . . B 5 GLN HA . 34818 1 38 . 1 . 1 5 5 GLN HB2 H 1 1.753 . . . . . . . B 5 GLN HB2 . 34818 1 39 . 1 . 1 5 5 GLN HB3 H 1 1.818 . . . . . . . B 5 GLN HB3 . 34818 1 40 . 1 . 1 5 5 GLN HG2 H 1 2.138 . . . . . . . B 5 GLN HG2 . 34818 1 41 . 1 . 1 5 5 GLN HG3 H 1 2.204 . . . . . . . B 5 GLN HG3 . 34818 1 42 . 1 . 1 5 5 GLN HE21 H 1 7.646 . . . . . . . B 5 GLN HE21 . 34818 1 43 . 1 . 1 5 5 GLN HE22 H 1 6.812 . . . . . . . B 5 GLN HE22 . 34818 1 44 . 1 . 1 5 5 GLN CA C 13 54.788 . . . . . . . B 5 GLN CA . 34818 1 45 . 1 . 1 5 5 GLN CB C 13 32.506 . . . . . . . B 5 GLN CB . 34818 1 46 . 1 . 1 5 5 GLN CG C 13 34.633 . . . . . . . B 5 GLN CG . 34818 1 47 . 1 . 1 5 5 GLN N N 15 121.279 . . . . . . . B 5 GLN N . 34818 1 48 . 1 . 1 5 5 GLN NE2 N 15 111.753 . . . . . . . B 5 GLN NE2 . 34818 1 49 . 1 . 1 6 6 CYS H H 1 9.581 . . . . . . . A 6 CYS H . 34818 1 50 . 1 . 1 6 6 CYS HA H 1 4.037 . . . . . . . B 6 CYS HA . 34818 1 51 . 1 . 1 6 6 CYS HB2 H 1 3.370 . . . . . . . B 6 CYS HB3 . 34818 1 52 . 1 . 1 6 6 CYS HB3 H 1 2.874 . . . . . . . A 6 CYS HB3 . 34818 1 53 . 1 . 1 6 6 CYS CA C 13 59.136 . . . . . . . B 6 CYS CA . 34818 1 54 . 1 . 1 6 6 CYS CB C 13 31.288 . . . . . . . B 6 CYS CB . 34818 1 55 . 1 . 1 6 6 CYS N N 15 122.802 . . . . . . . B 6 CYS N . 34818 1 56 . 1 . 1 7 7 GLN H H 1 9.314 . . . . . . . B 7 GLN H . 34818 1 57 . 1 . 1 7 7 GLN HA H 1 4.153 . . . . . . . B 7 GLN HA . 34818 1 58 . 1 . 1 7 7 GLN HB2 H 1 2.173 . . . . . . . B 7 GLN HB2 . 34818 1 59 . 1 . 1 7 7 GLN HB3 H 1 2.351 . . . . . . . B 7 GLN HB3 . 34818 1 60 . 1 . 1 7 7 GLN HG2 H 1 2.437 . . . . . . . B 7 GLN HG2 . 34818 1 61 . 1 . 1 7 7 GLN HG3 H 1 2.597 . . . . . . . B 7 GLN HG3 . 34818 1 62 . 1 . 1 7 7 GLN HE21 H 1 7.718 . . . . . . . B 7 GLN HE21 . 34818 1 63 . 1 . 1 7 7 GLN HE22 H 1 7.083 . . . . . . . B 7 GLN HE22 . 34818 1 64 . 1 . 1 7 7 GLN CA C 13 58.240 . . . . . . . B 7 GLN CA . 34818 1 65 . 1 . 1 7 7 GLN CB C 13 29.929 . . . . . . . B 7 GLN CB . 34818 1 66 . 1 . 1 7 7 GLN CG C 13 34.730 . . . . . . . B 7 GLN CG . 34818 1 67 . 1 . 1 7 7 GLN N N 15 130.973 . . . . . . . B 7 GLN N . 34818 1 68 . 1 . 1 7 7 GLN NE2 N 15 112.686 . . . . . . . B 7 GLN NE2 . 34818 1 69 . 1 . 1 8 8 VAL H H 1 8.945 . . . . . . . B 8 VAL H . 34818 1 70 . 1 . 1 8 8 VAL HA H 1 3.842 . . . . . . . B 8 VAL HA . 34818 1 71 . 1 . 1 8 8 VAL HB H 1 1.308 . . . . . . . B 8 VAL HB . 34818 1 72 . 1 . 1 8 8 VAL HG11 H 1 0.260 . . . . . . . B 8 VAL HG11 . 34818 1 73 . 1 . 1 8 8 VAL HG12 H 1 0.260 . . . . . . . B 8 VAL HG12 . 34818 1 74 . 1 . 1 8 8 VAL HG13 H 1 0.260 . . . . . . . B 8 VAL HG13 . 34818 1 75 . 1 . 1 8 8 VAL HG21 H 1 0.668 . . . . . . . B 8 VAL HG21 . 34818 1 76 . 1 . 1 8 8 VAL HG22 H 1 0.668 . . . . . . . B 8 VAL HG22 . 34818 1 77 . 1 . 1 8 8 VAL HG23 H 1 0.668 . . . . . . . B 8 VAL HG23 . 34818 1 78 . 1 . 1 8 8 VAL CA C 13 64.948 . . . . . . . B 8 VAL CA . 34818 1 79 . 1 . 1 8 8 VAL CB C 13 32.535 . . . . . . . B 8 VAL CB . 34818 1 80 . 1 . 1 8 8 VAL CG1 C 13 19.730 . . . . . . . B 8 VAL CG1 . 34818 1 81 . 1 . 1 8 8 VAL CG2 C 13 21.330 . . . . . . . B 8 VAL CG2 . 34818 1 82 . 1 . 1 8 8 VAL N N 15 120.742 . . . . . . . B 8 VAL N . 34818 1 83 . 1 . 1 9 9 CYS H H 1 7.710 . . . . . . . B 9 CYS H . 34818 1 84 . 1 . 1 9 9 CYS HA H 1 5.107 . . . . . . . B 9 CYS HA . 34818 1 85 . 1 . 1 9 9 CYS HB2 H 1 2.710 . . . . . . . B 9 CYS HB2 . 34818 1 86 . 1 . 1 9 9 CYS HB3 H 1 3.546 . . . . . . . B 9 CYS HB3 . 34818 1 87 . 1 . 1 9 9 CYS CA C 13 58.458 . . . . . . . B 9 CYS CA . 34818 1 88 . 1 . 1 9 9 CYS CB C 13 35.131 . . . . . . . B 9 CYS CB . 34818 1 89 . 1 . 1 9 9 CYS N N 15 115.790 . . . . . . . B 9 CYS N . 34818 1 90 . 1 . 1 10 10 GLY H H 1 8.361 . . . . . . . B 10 GLY H . 34818 1 91 . 1 . 1 10 10 GLY HA2 H 1 3.815 . . . . . . . B 10 GLY HA2 . 34818 1 92 . 1 . 1 10 10 GLY HA3 H 1 4.344 . . . . . . . B 10 GLY HA3 . 34818 1 93 . 1 . 1 10 10 GLY CA C 13 46.447 . . . . . . . B 10 GLY CA . 34818 1 94 . 1 . 1 10 10 GLY N N 15 112.609 . . . . . . . B 10 GLY N . 34818 1 95 . 1 . 1 11 11 GLN H H 1 8.556 . . . . . . . B 11 GLN H . 34818 1 96 . 1 . 1 11 11 GLN HA H 1 4.558 . . . . . . . B 11 GLN HA . 34818 1 97 . 1 . 1 11 11 GLN HB2 H 1 1.999 . . . . . . . B 11 GLN HB2 . 34818 1 98 . 1 . 1 11 11 GLN HB3 H 1 2.352 . . . . . . . B 11 GLN HB3 . 34818 1 99 . 1 . 1 11 11 GLN HG2 H 1 2.608 . . . . . . . B 11 GLN HG2 . 34818 1 100 . 1 . 1 11 11 GLN HG3 H 1 2.712 . . . . . . . B 11 GLN HG3 . 34818 1 101 . 1 . 1 11 11 GLN HE21 H 1 7.822 . . . . . . . B 11 GLN HE21 . 34818 1 102 . 1 . 1 11 11 GLN HE22 H 1 6.985 . . . . . . . B 11 GLN HE22 . 34818 1 103 . 1 . 1 11 11 GLN CA C 13 55.699 . . . . . . . B 11 GLN CA . 34818 1 104 . 1 . 1 11 11 GLN CB C 13 27.122 . . . . . . . B 11 GLN CB . 34818 1 105 . 1 . 1 11 11 GLN CG C 13 35.238 . . . . . . . B 11 GLN CG . 34818 1 106 . 1 . 1 11 11 GLN N N 15 121.868 . . . . . . . B 11 GLN N . 34818 1 107 . 1 . 1 11 11 GLN NE2 N 15 114.371 . . . . . . . B 11 GLN NE2 . 34818 1 108 . 1 . 1 12 12 PRO HA H 1 4.346 . . . . . . . B 12 PRO HA . 34818 1 109 . 1 . 1 12 12 PRO HB2 H 1 1.794 . . . . . . . B 12 PRO HB2 . 34818 1 110 . 1 . 1 12 12 PRO HB3 H 1 2.275 . . . . . . . B 12 PRO HB3 . 34818 1 111 . 1 . 1 12 12 PRO HG2 H 1 1.993 . . . . . . . B 12 PRO HG2 . 34818 1 112 . 1 . 1 12 12 PRO HG3 H 1 2.203 . . . . . . . B 12 PRO HG3 . 34818 1 113 . 1 . 1 12 12 PRO HD2 H 1 3.616 . . . . . . . B 12 PRO HD2 . 34818 1 114 . 1 . 1 12 12 PRO HD3 H 1 3.843 . . . . . . . B 12 PRO HD3 . 34818 1 115 . 1 . 1 12 12 PRO CA C 13 64.634 . . . . . . . B 12 PRO CA . 34818 1 116 . 1 . 1 12 12 PRO CB C 13 31.565 . . . . . . . B 12 PRO CB . 34818 1 117 . 1 . 1 12 12 PRO CG C 13 28.319 . . . . . . . B 12 PRO CG . 34818 1 118 . 1 . 1 12 12 PRO CD C 13 50.154 . . . . . . . B 12 PRO CD . 34818 1 119 . 1 . 1 13 13 ALA H H 1 8.341 . . . . . . . B 13 ALA H . 34818 1 120 . 1 . 1 13 13 ALA HA H 1 3.910 . . . . . . . B 13 ALA HA . 34818 1 121 . 1 . 1 13 13 ALA HB1 H 1 0.980 . . . . . . . B 13 ALA HB1 . 34818 1 122 . 1 . 1 13 13 ALA HB2 H 1 0.980 . . . . . . . B 13 ALA HB2 . 34818 1 123 . 1 . 1 13 13 ALA HB3 H 1 0.980 . . . . . . . B 13 ALA HB3 . 34818 1 124 . 1 . 1 13 13 ALA CA C 13 51.839 . . . . . . . B 13 ALA CA . 34818 1 125 . 1 . 1 13 13 ALA CB C 13 19.883 . . . . . . . B 13 ALA CB . 34818 1 126 . 1 . 1 13 13 ALA N N 15 124.275 . . . . . . . B 13 ALA N . 34818 1 127 . 1 . 1 14 14 THR H H 1 8.728 . . . . . . . B 14 THR H . 34818 1 128 . 1 . 1 14 14 THR HA H 1 4.456 . . . . . . . B 14 THR HA . 34818 1 129 . 1 . 1 14 14 THR HB H 1 4.377 . . . . . . . B 14 THR HB . 34818 1 130 . 1 . 1 14 14 THR HG21 H 1 1.146 . . . . . . . B 14 THR HG21 . 34818 1 131 . 1 . 1 14 14 THR HG22 H 1 1.146 . . . . . . . B 14 THR HG22 . 34818 1 132 . 1 . 1 14 14 THR HG23 H 1 1.146 . . . . . . . B 14 THR HG23 . 34818 1 133 . 1 . 1 14 14 THR CA C 13 61.572 . . . . . . . B 14 THR CA . 34818 1 134 . 1 . 1 14 14 THR CB C 13 69.551 . . . . . . . B 14 THR CB . 34818 1 135 . 1 . 1 14 14 THR CG2 C 13 23.070 . . . . . . . B 14 THR CG2 . 34818 1 136 . 1 . 1 14 14 THR N N 15 112.049 . . . . . . . B 14 THR N . 34818 1 137 . 1 . 1 15 15 VAL H H 1 8.305 . . . . . . . B 15 VAL H . 34818 1 138 . 1 . 1 15 15 VAL HA H 1 4.575 . . . . . . . B 15 VAL HA . 34818 1 139 . 1 . 1 15 15 VAL HB H 1 1.593 . . . . . . . B 15 VAL HB . 34818 1 140 . 1 . 1 15 15 VAL HG11 H 1 0.243 . . . . . . . B 15 VAL HG11 . 34818 1 141 . 1 . 1 15 15 VAL HG12 H 1 0.243 . . . . . . . B 15 VAL HG12 . 34818 1 142 . 1 . 1 15 15 VAL HG13 H 1 0.243 . . . . . . . B 15 VAL HG13 . 34818 1 143 . 1 . 1 15 15 VAL HG21 H 1 0.366 . . . . . . . B 15 VAL HG21 . 34818 1 144 . 1 . 1 15 15 VAL HG22 H 1 0.366 . . . . . . . B 15 VAL HG22 . 34818 1 145 . 1 . 1 15 15 VAL HG23 H 1 0.366 . . . . . . . B 15 VAL HG23 . 34818 1 146 . 1 . 1 15 15 VAL CA C 13 60.808 . . . . . . . B 15 VAL CA . 34818 1 147 . 1 . 1 15 15 VAL CB C 13 35.568 . . . . . . . B 15 VAL CB . 34818 1 148 . 1 . 1 15 15 VAL CG1 C 13 20.686 . . . . . . . B 15 VAL CG1 . 34818 1 149 . 1 . 1 15 15 VAL CG2 C 13 20.583 . . . . . . . B 15 VAL CG2 . 34818 1 150 . 1 . 1 15 15 VAL N N 15 121.963 . . . . . . . B 15 VAL N . 34818 1 151 . 1 . 1 16 16 ARG H H 1 8.338 . . . . . . . B 16 ARG H . 34818 1 152 . 1 . 1 16 16 ARG HA H 1 5.312 . . . . . . . B 16 ARG HA . 34818 1 153 . 1 . 1 16 16 ARG HB2 H 1 1.607 . . . . . . . B 16 ARG HB2 . 34818 1 154 . 1 . 1 16 16 ARG HB3 H 1 1.711 . . . . . . . B 16 ARG HB3 . 34818 1 155 . 1 . 1 16 16 ARG HG2 H 1 1.384 . . . . . . . B 16 ARG HG2 . 34818 1 156 . 1 . 1 16 16 ARG HG3 H 1 1.445 . . . . . . . B 16 ARG HG3 . 34818 1 157 . 1 . 1 16 16 ARG HD3 H 1 3.121 . . . . . . . B 16 ARG HD3 . 34818 1 158 . 1 . 1 16 16 ARG CA C 13 54.123 . . . . . . . B 16 ARG CA . 34818 1 159 . 1 . 1 16 16 ARG CB C 13 33.315 . . . . . . . B 16 ARG CB . 34818 1 160 . 1 . 1 16 16 ARG CG C 13 27.527 . . . . . . . B 16 ARG CG . 34818 1 161 . 1 . 1 16 16 ARG CD C 13 43.493 . . . . . . . B 16 ARG CD . 34818 1 162 . 1 . 1 16 16 ARG N N 15 126.039 . . . . . . . B 16 ARG N . 34818 1 163 . 1 . 1 17 17 VAL H H 1 8.982 . . . . . . . B 17 VAL H . 34818 1 164 . 1 . 1 17 17 VAL HA H 1 4.762 . . . . . . . B 17 VAL HA . 34818 1 165 . 1 . 1 17 17 VAL HB H 1 2.157 . . . . . . . B 17 VAL HB . 34818 1 166 . 1 . 1 17 17 VAL HG11 H 1 0.875 . . . . . . . B 17 VAL HG11 . 34818 1 167 . 1 . 1 17 17 VAL HG12 H 1 0.875 . . . . . . . B 17 VAL HG12 . 34818 1 168 . 1 . 1 17 17 VAL HG13 H 1 0.875 . . . . . . . B 17 VAL HG13 . 34818 1 169 . 1 . 1 17 17 VAL HG21 H 1 0.888 . . . . . . . B 17 VAL HG21 . 34818 1 170 . 1 . 1 17 17 VAL HG22 H 1 0.888 . . . . . . . B 17 VAL HG22 . 34818 1 171 . 1 . 1 17 17 VAL HG23 H 1 0.888 . . . . . . . B 17 VAL HG23 . 34818 1 172 . 1 . 1 17 17 VAL CA C 13 59.869 . . . . . . . B 17 VAL CA . 34818 1 173 . 1 . 1 17 17 VAL CB C 13 35.685 . . . . . . . B 17 VAL CB . 34818 1 174 . 1 . 1 17 17 VAL CG1 C 13 20.786 . . . . . . . B 17 VAL CG1 . 34818 1 175 . 1 . 1 17 17 VAL CG2 C 13 21.776 . . . . . . . B 17 VAL CG2 . 34818 1 176 . 1 . 1 17 17 VAL N N 15 122.049 . . . . . . . B 17 VAL N . 34818 1 177 . 1 . 1 18 18 GLU HA H 1 5.296 . . . . . . . B 18 GLU HA . 34818 1 178 . 1 . 1 18 18 GLU HB2 H 1 1.991 . . . . . . . B 18 GLU HB2 . 34818 1 179 . 1 . 1 18 18 GLU HB3 H 1 2.035 . . . . . . . B 18 GLU HB3 . 34818 1 180 . 1 . 1 18 18 GLU HG2 H 1 2.277 . . . . . . . B 18 GLU HG2 . 34818 1 181 . 1 . 1 18 18 GLU HG3 H 1 2.321 . . . . . . . B 18 GLU HG3 . 34818 1 182 . 1 . 1 18 18 GLU CA C 13 55.039 . . . . . . . B 18 GLU CA . 34818 1 183 . 1 . 1 18 18 GLU CB C 13 32.314 . . . . . . . B 18 GLU CB . 34818 1 184 . 1 . 1 18 18 GLU CG C 13 36.132 . . . . . . . B 18 GLU CG . 34818 1 185 . 1 . 1 19 19 ALA H H 1 8.683 . . . . . . . B 19 ALA H . 34818 1 186 . 1 . 1 19 19 ALA HA H 1 4.583 . . . . . . . B 19 ALA HA . 34818 1 187 . 1 . 1 19 19 ALA HB1 H 1 0.698 . . . . . . . B 19 ALA HB1 . 34818 1 188 . 1 . 1 19 19 ALA HB2 H 1 0.698 . . . . . . . B 19 ALA HB2 . 34818 1 189 . 1 . 1 19 19 ALA HB3 H 1 0.698 . . . . . . . B 19 ALA HB3 . 34818 1 190 . 1 . 1 19 19 ALA CA C 13 51.126 . . . . . . . B 19 ALA CA . 34818 1 191 . 1 . 1 19 19 ALA CB C 13 22.140 . . . . . . . B 19 ALA CB . 34818 1 192 . 1 . 1 19 19 ALA N N 15 124.860 . . . . . . . B 19 ALA N . 34818 1 193 . 1 . 1 20 20 ASN H H 1 8.410 . . . . . . . B 20 ASN H . 34818 1 194 . 1 . 1 20 20 ASN HA H 1 5.003 . . . . . . . B 20 ASN HA . 34818 1 195 . 1 . 1 20 20 ASN HB2 H 1 2.484 . . . . . . . B 20 ASN HB2 . 34818 1 196 . 1 . 1 20 20 ASN HB3 H 1 2.681 . . . . . . . B 20 ASN HB3 . 34818 1 197 . 1 . 1 20 20 ASN HD21 H 1 7.378 . . . . . . . B 20 ASN HD21 . 34818 1 198 . 1 . 1 20 20 ASN HD22 H 1 6.688 . . . . . . . B 20 ASN HD22 . 34818 1 199 . 1 . 1 20 20 ASN CA C 13 52.385 . . . . . . . B 20 ASN CA . 34818 1 200 . 1 . 1 20 20 ASN CB C 13 39.549 . . . . . . . B 20 ASN CB . 34818 1 201 . 1 . 1 20 20 ASN N N 15 119.554 . . . . . . . B 20 ASN N . 34818 1 202 . 1 . 1 20 20 ASN ND2 N 15 110.997 . . . . . . . B 20 ASN ND2 . 34818 1 203 . 1 . 1 21 21 LEU H H 1 8.251 . . . . . . . B 21 LEU H . 34818 1 204 . 1 . 1 21 21 LEU HA H 1 4.517 . . . . . . . B 21 LEU HA . 34818 1 205 . 1 . 1 21 21 LEU HB3 H 1 1.504 . . . . . . . B 21 LEU HB3 . 34818 1 206 . 1 . 1 21 21 LEU HG H 1 1.361 . . . . . . . B 21 LEU HG . 34818 1 207 . 1 . 1 21 21 LEU HD11 H 1 0.744 . . . . . . . B 21 LEU HD11 . 34818 1 208 . 1 . 1 21 21 LEU HD12 H 1 0.744 . . . . . . . B 21 LEU HD12 . 34818 1 209 . 1 . 1 21 21 LEU HD13 H 1 0.744 . . . . . . . B 21 LEU HD13 . 34818 1 210 . 1 . 1 21 21 LEU HD21 H 1 0.804 . . . . . . . B 21 LEU HD21 . 34818 1 211 . 1 . 1 21 21 LEU HD22 H 1 0.804 . . . . . . . B 21 LEU HD22 . 34818 1 212 . 1 . 1 21 21 LEU HD23 H 1 0.804 . . . . . . . B 21 LEU HD23 . 34818 1 213 . 1 . 1 21 21 LEU CA C 13 53.972 . . . . . . . B 21 LEU CA . 34818 1 214 . 1 . 1 21 21 LEU CB C 13 42.895 . . . . . . . B 21 LEU CB . 34818 1 215 . 1 . 1 21 21 LEU CG C 13 26.900 . . . . . . . B 21 LEU CG . 34818 1 216 . 1 . 1 21 21 LEU CD1 C 13 24.371 . . . . . . . B 21 LEU CD1 . 34818 1 217 . 1 . 1 21 21 LEU CD2 C 13 24.573 . . . . . . . B 21 LEU CD2 . 34818 1 218 . 1 . 1 21 21 LEU N N 15 125.386 . . . . . . . B 21 LEU N . 34818 1 219 . 1 . 1 22 22 ASN H H 1 9.236 . . . . . . . B 22 ASN H . 34818 1 220 . 1 . 1 22 22 ASN HA H 1 4.372 . . . . . . . B 22 ASN HA . 34818 1 221 . 1 . 1 22 22 ASN HB2 H 1 2.705 . . . . . . . B 22 ASN HB2 . 34818 1 222 . 1 . 1 22 22 ASN HB3 H 1 3.018 . . . . . . . B 22 ASN HB3 . 34818 1 223 . 1 . 1 22 22 ASN HD21 H 1 7.579 . . . . . . . B 22 ASN HD21 . 34818 1 224 . 1 . 1 22 22 ASN HD22 H 1 6.907 . . . . . . . B 22 ASN HD22 . 34818 1 225 . 1 . 1 22 22 ASN CA C 13 54.090 . . . . . . . B 22 ASN CA . 34818 1 226 . 1 . 1 22 22 ASN CB C 13 37.703 . . . . . . . B 22 ASN CB . 34818 1 227 . 1 . 1 22 22 ASN N N 15 123.226 . . . . . . . B 22 ASN N . 34818 1 228 . 1 . 1 22 22 ASN ND2 N 15 112.897 . . . . . . . B 22 ASN ND2 . 34818 1 229 . 1 . 1 23 23 GLY H H 1 8.248 . . . . . . . B 23 GLY H . 34818 1 230 . 1 . 1 23 23 GLY HA2 H 1 3.665 . . . . . . . B 23 GLY HA2 . 34818 1 231 . 1 . 1 23 23 GLY HA3 H 1 4.197 . . . . . . . B 23 GLY HA3 . 34818 1 232 . 1 . 1 23 23 GLY CA C 13 45.618 . . . . . . . B 23 GLY CA . 34818 1 233 . 1 . 1 23 23 GLY N N 15 104.754 . . . . . . . B 23 GLY N . 34818 1 234 . 1 . 1 24 24 ARG H H 1 7.640 . . . . . . . B 24 ARG H . 34818 1 235 . 1 . 1 24 24 ARG HA H 1 4.602 . . . . . . . B 24 ARG HA . 34818 1 236 . 1 . 1 24 24 ARG HB2 H 1 1.800 . . . . . . . B 24 ARG HB2 . 34818 1 237 . 1 . 1 24 24 ARG HB3 H 1 1.867 . . . . . . . B 24 ARG HB3 . 34818 1 238 . 1 . 1 24 24 ARG HG2 H 1 1.556 . . . . . . . B 24 ARG HG2 . 34818 1 239 . 1 . 1 24 24 ARG HG3 H 1 1.618 . . . . . . . B 24 ARG HG3 . 34818 1 240 . 1 . 1 24 24 ARG HD3 H 1 3.216 . . . . . . . B 24 ARG HD3 . 34818 1 241 . 1 . 1 24 24 ARG CA C 13 54.682 . . . . . . . B 24 ARG CA . 34818 1 242 . 1 . 1 24 24 ARG CB C 13 31.735 . . . . . . . B 24 ARG CB . 34818 1 243 . 1 . 1 24 24 ARG CG C 13 27.015 . . . . . . . B 24 ARG CG . 34818 1 244 . 1 . 1 24 24 ARG CD C 13 43.493 . . . . . . . B 24 ARG CD . 34818 1 245 . 1 . 1 24 24 ARG N N 15 120.457 . . . . . . . B 24 ARG N . 34818 1 246 . 1 . 1 25 25 HIS H H 1 8.855 . . . . . . . B 25 HIS H . 34818 1 247 . 1 . 1 25 25 HIS HA H 1 5.110 . . . . . . . B 25 HIS HA . 34818 1 248 . 1 . 1 25 25 HIS HB3 H 1 3.124 . . . . . . . B 25 HIS HB3 . 34818 1 249 . 1 . 1 25 25 HIS HD2 H 1 7.106 . . . . . . . B 25 HIS HD2 . 34818 1 250 . 1 . 1 25 25 HIS CA C 13 56.206 . . . . . . . B 25 HIS CA . 34818 1 251 . 1 . 1 25 25 HIS CB C 13 30.112 . . . . . . . B 25 HIS CB . 34818 1 252 . 1 . 1 25 25 HIS CD2 C 13 119.787 . . . . . . . B 25 HIS CD2 . 34818 1 253 . 1 . 1 25 25 HIS N N 15 125.516 . . . . . . . B 25 HIS N . 34818 1 254 . 1 . 1 26 26 SER H H 1 8.728 . . . . . . . B 26 SER H . 34818 1 255 . 1 . 1 26 26 SER HA H 1 4.785 . . . . . . . B 26 SER HA . 34818 1 256 . 1 . 1 26 26 SER HB2 H 1 3.698 . . . . . . . B 26 SER HB2 . 34818 1 257 . 1 . 1 26 26 SER HB3 H 1 3.822 . . . . . . . B 26 SER HB3 . 34818 1 258 . 1 . 1 26 26 SER CA C 13 57.636 . . . . . . . B 26 SER CA . 34818 1 259 . 1 . 1 26 26 SER CB C 13 65.903 . . . . . . . B 26 SER CB . 34818 1 260 . 1 . 1 26 26 SER N N 15 121.068 . . . . . . . B 26 SER N . 34818 1 261 . 1 . 1 27 27 THR H H 1 8.491 . . . . . . . B 27 THR H . 34818 1 262 . 1 . 1 27 27 THR HA H 1 5.180 . . . . . . . B 27 THR HA . 34818 1 263 . 1 . 1 27 27 THR HB H 1 3.965 . . . . . . . B 27 THR HB . 34818 1 264 . 1 . 1 27 27 THR HG21 H 1 1.135 . . . . . . . B 27 THR HG21 . 34818 1 265 . 1 . 1 27 27 THR HG22 H 1 1.135 . . . . . . . B 27 THR HG22 . 34818 1 266 . 1 . 1 27 27 THR HG23 H 1 1.135 . . . . . . . B 27 THR HG23 . 34818 1 267 . 1 . 1 27 27 THR CA C 13 61.490 . . . . . . . B 27 THR CA . 34818 1 268 . 1 . 1 27 27 THR CB C 13 70.949 . . . . . . . B 27 THR CB . 34818 1 269 . 1 . 1 27 27 THR CG2 C 13 21.816 . . . . . . . B 27 THR CG2 . 34818 1 270 . 1 . 1 27 27 THR N N 15 117.307 . . . . . . . B 27 THR N . 34818 1 271 . 1 . 1 28 28 MET H H 1 9.104 . . . . . . . B 28 MET H . 34818 1 272 . 1 . 1 28 28 MET HA H 1 4.876 . . . . . . . B 28 MET HA . 34818 1 273 . 1 . 1 28 28 MET HB2 H 1 1.524 . . . . . . . B 28 MET HB2 . 34818 1 274 . 1 . 1 28 28 MET HB3 H 1 1.608 . . . . . . . B 28 MET HB3 . 34818 1 275 . 1 . 1 28 28 MET HG3 H 1 2.203 . . . . . . . B 28 MET HG3 . 34818 1 276 . 1 . 1 28 28 MET HE1 H 1 1.613 . . . . . . . B 28 MET HE1 . 34818 1 277 . 1 . 1 28 28 MET HE2 H 1 1.613 . . . . . . . B 28 MET HE2 . 34818 1 278 . 1 . 1 28 28 MET HE3 H 1 1.613 . . . . . . . B 28 MET HE3 . 34818 1 279 . 1 . 1 28 28 MET CA C 13 55.059 . . . . . . . B 28 MET CA . 34818 1 280 . 1 . 1 28 28 MET CB C 13 36.462 . . . . . . . B 28 MET CB . 34818 1 281 . 1 . 1 28 28 MET CG C 13 31.634 . . . . . . . B 28 MET CG . 34818 1 282 . 1 . 1 28 28 MET CE C 13 16.652 . . . . . . . B 28 MET CE . 34818 1 283 . 1 . 1 28 28 MET N N 15 124.347 . . . . . . . B 28 MET N . 34818 1 284 . 1 . 1 29 29 LEU H H 1 8.321 . . . . . . . B 29 LEU H . 34818 1 285 . 1 . 1 29 29 LEU HA H 1 5.153 . . . . . . . B 29 LEU HA . 34818 1 286 . 1 . 1 29 29 LEU HB2 H 1 1.130 . . . . . . . B 29 LEU HB2 . 34818 1 287 . 1 . 1 29 29 LEU HB3 H 1 1.842 . . . . . . . B 29 LEU HB3 . 34818 1 288 . 1 . 1 29 29 LEU HG H 1 1.608 . . . . . . . B 29 LEU HG . 34818 1 289 . 1 . 1 29 29 LEU HD11 H 1 0.881 . . . . . . . B 29 LEU HD11 . 34818 1 290 . 1 . 1 29 29 LEU HD12 H 1 0.881 . . . . . . . B 29 LEU HD12 . 34818 1 291 . 1 . 1 29 29 LEU HD13 H 1 0.881 . . . . . . . B 29 LEU HD13 . 34818 1 292 . 1 . 1 29 29 LEU HD21 H 1 0.781 . . . . . . . B 29 LEU HD21 . 34818 1 293 . 1 . 1 29 29 LEU HD22 H 1 0.781 . . . . . . . B 29 LEU HD22 . 34818 1 294 . 1 . 1 29 29 LEU HD23 H 1 0.781 . . . . . . . B 29 LEU HD23 . 34818 1 295 . 1 . 1 29 29 LEU CA C 13 53.411 . . . . . . . B 29 LEU CA . 34818 1 296 . 1 . 1 29 29 LEU CB C 13 43.446 . . . . . . . B 29 LEU CB . 34818 1 297 . 1 . 1 29 29 LEU CG C 13 27.105 . . . . . . . B 29 LEU CG . 34818 1 298 . 1 . 1 29 29 LEU CD1 C 13 25.759 . . . . . . . B 29 LEU CD1 . 34818 1 299 . 1 . 1 29 29 LEU CD2 C 13 24.103 . . . . . . . B 29 LEU CD2 . 34818 1 300 . 1 . 1 29 29 LEU N N 15 125.744 . . . . . . . B 29 LEU N . 34818 1 301 . 1 . 1 30 30 LEU H H 1 8.785 . . . . . . . B 30 LEU H . 34818 1 302 . 1 . 1 30 30 LEU HA H 1 6.091 . . . . . . . B 30 LEU HA . 34818 1 303 . 1 . 1 30 30 LEU HB2 H 1 1.505 . . . . . . . B 30 LEU HB2 . 34818 1 304 . 1 . 1 30 30 LEU HB3 H 1 1.912 . . . . . . . B 30 LEU HB3 . 34818 1 305 . 1 . 1 30 30 LEU HG H 1 1.415 . . . . . . . B 30 LEU HG . 34818 1 306 . 1 . 1 30 30 LEU HD11 H 1 0.871 . . . . . . . B 30 LEU HD11 . 34818 1 307 . 1 . 1 30 30 LEU HD12 H 1 0.871 . . . . . . . B 30 LEU HD12 . 34818 1 308 . 1 . 1 30 30 LEU HD13 H 1 0.871 . . . . . . . B 30 LEU HD13 . 34818 1 309 . 1 . 1 30 30 LEU HD21 H 1 1.083 . . . . . . . B 30 LEU HD21 . 34818 1 310 . 1 . 1 30 30 LEU HD22 H 1 1.083 . . . . . . . B 30 LEU HD22 . 34818 1 311 . 1 . 1 30 30 LEU HD23 H 1 1.083 . . . . . . . B 30 LEU HD23 . 34818 1 312 . 1 . 1 30 30 LEU CA C 13 53.388 . . . . . . . B 30 LEU CA . 34818 1 313 . 1 . 1 30 30 LEU CB C 13 48.841 . . . . . . . B 30 LEU CB . 34818 1 314 . 1 . 1 30 30 LEU CG C 13 27.029 . . . . . . . B 30 LEU CG . 34818 1 315 . 1 . 1 30 30 LEU CD1 C 13 27.249 . . . . . . . B 30 LEU CD1 . 34818 1 316 . 1 . 1 30 30 LEU CD2 C 13 24.688 . . . . . . . B 30 LEU CD2 . 34818 1 317 . 1 . 1 30 30 LEU N N 15 121.726 . . . . . . . B 30 LEU N . 34818 1 318 . 1 . 1 31 31 CYS H H 1 8.841 . . . . . . . B 31 CYS H . 34818 1 319 . 1 . 1 31 31 CYS HA H 1 5.160 . . . . . . . B 31 CYS HA . 34818 1 320 . 1 . 1 31 31 CYS HB2 H 1 2.884 . . . . . . . B 31 CYS HB2 . 34818 1 321 . 1 . 1 31 31 CYS HB3 H 1 3.506 . . . . . . . B 31 CYS HB3 . 34818 1 322 . 1 . 1 31 31 CYS CA C 13 57.824 . . . . . . . B 31 CYS CA . 34818 1 323 . 1 . 1 31 31 CYS CB C 13 30.868 . . . . . . . B 31 CYS CB . 34818 1 324 . 1 . 1 31 31 CYS N N 15 116.887 . . . . . . . B 31 CYS N . 34818 1 325 . 1 . 1 32 32 ASP H H 1 8.584 . . . . . . . B 32 ASP H . 34818 1 326 . 1 . 1 32 32 ASP HA H 1 4.359 . . . . . . . B 32 ASP HA . 34818 1 327 . 1 . 1 32 32 ASP HB2 H 1 2.642 . . . . . . . B 32 ASP HB2 . 34818 1 328 . 1 . 1 32 32 ASP HB3 H 1 2.685 . . . . . . . B 32 ASP HB3 . 34818 1 329 . 1 . 1 32 32 ASP CA C 13 58.653 . . . . . . . B 32 ASP CA . 34818 1 330 . 1 . 1 32 32 ASP CB C 13 41.073 . . . . . . . B 32 ASP CB . 34818 1 331 . 1 . 1 32 32 ASP N N 15 119.638 . . . . . . . B 32 ASP N . 34818 1 332 . 1 . 1 33 33 ASP H H 1 8.243 . . . . . . . B 33 ASP H . 34818 1 333 . 1 . 1 33 33 ASP HA H 1 4.307 . . . . . . . B 33 ASP HA . 34818 1 334 . 1 . 1 33 33 ASP HB2 H 1 2.205 . . . . . . . B 33 ASP HB2 . 34818 1 335 . 1 . 1 33 33 ASP HB3 H 1 2.467 . . . . . . . B 33 ASP HB3 . 34818 1 336 . 1 . 1 33 33 ASP CA C 13 57.685 . . . . . . . B 33 ASP CA . 34818 1 337 . 1 . 1 33 33 ASP CB C 13 40.909 . . . . . . . B 33 ASP CB . 34818 1 338 . 1 . 1 33 33 ASP N N 15 118.786 . . . . . . . B 33 ASP N . 34818 1 339 . 1 . 1 34 34 HIS H H 1 8.589 . . . . . . . B 34 HIS H . 34818 1 340 . 1 . 1 34 34 HIS HA H 1 4.368 . . . . . . . B 34 HIS HA . 34818 1 341 . 1 . 1 34 34 HIS HB2 H 1 3.283 . . . . . . . B 34 HIS HB2 . 34818 1 342 . 1 . 1 34 34 HIS HB3 H 1 3.314 . . . . . . . B 34 HIS HB3 . 34818 1 343 . 1 . 1 34 34 HIS HD2 H 1 7.254 . . . . . . . B 34 HIS HD2 . 34818 1 344 . 1 . 1 34 34 HIS CA C 13 64.064 . . . . . . . B 34 HIS CA . 34818 1 345 . 1 . 1 34 34 HIS CB C 13 29.960 . . . . . . . B 34 HIS CB . 34818 1 346 . 1 . 1 34 34 HIS CD2 C 13 118.730 . . . . . . . B 34 HIS CD2 . 34818 1 347 . 1 . 1 34 34 HIS N N 15 119.165 . . . . . . . B 34 HIS N . 34818 1 348 . 1 . 1 35 35 TYR H H 1 8.951 . . . . . . . B 35 TYR H . 34818 1 349 . 1 . 1 35 35 TYR HA H 1 4.354 . . . . . . . B 35 TYR HA . 34818 1 350 . 1 . 1 35 35 TYR HB2 H 1 2.951 . . . . . . . B 35 TYR HB2 . 34818 1 351 . 1 . 1 35 35 TYR HB3 H 1 3.120 . . . . . . . B 35 TYR HB3 . 34818 1 352 . 1 . 1 35 35 TYR HD1 H 1 6.923 . . . . . . . B 35 TYR HD1 . 34818 1 353 . 1 . 1 35 35 TYR HE1 H 1 6.636 . . . . . . . B 35 TYR HE1 . 34818 1 354 . 1 . 1 35 35 TYR CA C 13 61.199 . . . . . . . B 35 TYR CA . 34818 1 355 . 1 . 1 35 35 TYR CB C 13 37.936 . . . . . . . B 35 TYR CB . 34818 1 356 . 1 . 1 35 35 TYR CD1 C 13 132.908 . . . . . . . B 35 TYR CD1 . 34818 1 357 . 1 . 1 35 35 TYR CE1 C 13 117.952 . . . . . . . B 35 TYR CE1 . 34818 1 358 . 1 . 1 35 35 TYR N N 15 124.335 . . . . . . . B 35 TYR N . 34818 1 359 . 1 . 1 36 36 ARG H H 1 8.252 . . . . . . . B 36 ARG H . 34818 1 360 . 1 . 1 36 36 ARG HA H 1 3.563 . . . . . . . B 36 ARG HA . 34818 1 361 . 1 . 1 36 36 ARG HB2 H 1 1.814 . . . . . . . B 36 ARG HB2 . 34818 1 362 . 1 . 1 36 36 ARG HB3 H 1 1.961 . . . . . . . B 36 ARG HB3 . 34818 1 363 . 1 . 1 36 36 ARG HG2 H 1 1.564 . . . . . . . B 36 ARG HG2 . 34818 1 364 . 1 . 1 36 36 ARG HG3 H 1 1.865 . . . . . . . B 36 ARG HG3 . 34818 1 365 . 1 . 1 36 36 ARG HD2 H 1 3.154 . . . . . . . B 36 ARG HD2 . 34818 1 366 . 1 . 1 36 36 ARG HD3 H 1 3.212 . . . . . . . B 36 ARG HD3 . 34818 1 367 . 1 . 1 36 36 ARG CA C 13 59.748 . . . . . . . B 36 ARG CA . 34818 1 368 . 1 . 1 36 36 ARG CB C 13 29.653 . . . . . . . B 36 ARG CB . 34818 1 369 . 1 . 1 36 36 ARG CG C 13 28.360 . . . . . . . B 36 ARG CG . 34818 1 370 . 1 . 1 36 36 ARG CD C 13 43.493 . . . . . . . B 36 ARG CD . 34818 1 371 . 1 . 1 36 36 ARG N N 15 118.461 . . . . . . . B 36 ARG N . 34818 1 372 . 1 . 1 37 37 GLN H H 1 7.723 . . . . . . . B 37 GLN H . 34818 1 373 . 1 . 1 37 37 GLN HA H 1 3.940 . . . . . . . B 37 GLN HA . 34818 1 374 . 1 . 1 37 37 GLN HB2 H 1 2.052 . . . . . . . B 37 GLN HB2 . 34818 1 375 . 1 . 1 37 37 GLN HB3 H 1 2.183 . . . . . . . B 37 GLN HB3 . 34818 1 376 . 1 . 1 37 37 GLN HG2 H 1 2.277 . . . . . . . B 37 GLN HG2 . 34818 1 377 . 1 . 1 37 37 GLN HG3 H 1 2.519 . . . . . . . B 37 GLN HG3 . 34818 1 378 . 1 . 1 37 37 GLN HE21 H 1 7.387 . . . . . . . B 37 GLN HE21 . 34818 1 379 . 1 . 1 37 37 GLN HE22 H 1 6.770 . . . . . . . B 37 GLN HE22 . 34818 1 380 . 1 . 1 37 37 GLN CA C 13 59.058 . . . . . . . B 37 GLN CA . 34818 1 381 . 1 . 1 37 37 GLN CB C 13 29.487 . . . . . . . B 37 GLN CB . 34818 1 382 . 1 . 1 37 37 GLN CG C 13 33.930 . . . . . . . B 37 GLN CG . 34818 1 383 . 1 . 1 37 37 GLN N N 15 115.898 . . . . . . . B 37 GLN N . 34818 1 384 . 1 . 1 37 37 GLN NE2 N 15 111.665 . . . . . . . B 37 GLN NE2 . 34818 1 385 . 1 . 1 38 38 LEU H H 1 7.832 . . . . . . . B 38 LEU H . 34818 1 386 . 1 . 1 38 38 LEU HA H 1 4.135 . . . . . . . B 38 LEU HA . 34818 1 387 . 1 . 1 38 38 LEU HB2 H 1 1.716 . . . . . . . B 38 LEU HB2 . 34818 1 388 . 1 . 1 38 38 LEU HB3 H 1 1.760 . . . . . . . B 38 LEU HB3 . 34818 1 389 . 1 . 1 38 38 LEU HG H 1 1.624 . . . . . . . B 38 LEU HG . 34818 1 390 . 1 . 1 38 38 LEU HD11 H 1 0.858 . . . . . . . B 38 LEU HD11 . 34818 1 391 . 1 . 1 38 38 LEU HD12 H 1 0.858 . . . . . . . B 38 LEU HD12 . 34818 1 392 . 1 . 1 38 38 LEU HD13 H 1 0.858 . . . . . . . B 38 LEU HD13 . 34818 1 393 . 1 . 1 38 38 LEU HD21 H 1 0.779 . . . . . . . B 38 LEU HD21 . 34818 1 394 . 1 . 1 38 38 LEU HD22 H 1 0.779 . . . . . . . B 38 LEU HD22 . 34818 1 395 . 1 . 1 38 38 LEU HD23 H 1 0.779 . . . . . . . B 38 LEU HD23 . 34818 1 396 . 1 . 1 38 38 LEU CA C 13 57.974 . . . . . . . B 38 LEU CA . 34818 1 397 . 1 . 1 38 38 LEU CB C 13 42.052 . . . . . . . B 38 LEU CB . 34818 1 398 . 1 . 1 38 38 LEU CG C 13 27.527 . . . . . . . B 38 LEU CG . 34818 1 399 . 1 . 1 38 38 LEU CD1 C 13 24.776 . . . . . . . B 38 LEU CD1 . 34818 1 400 . 1 . 1 38 38 LEU CD2 C 13 24.887 . . . . . . . B 38 LEU CD2 . 34818 1 401 . 1 . 1 38 38 LEU N N 15 119.934 . . . . . . . B 38 LEU N . 34818 1 402 . 1 . 1 39 39 VAL H H 1 7.720 . . . . . . . B 39 VAL H . 34818 1 403 . 1 . 1 39 39 VAL HA H 1 3.689 . . . . . . . B 39 VAL HA . 34818 1 404 . 1 . 1 39 39 VAL HB H 1 1.781 . . . . . . . B 39 VAL HB . 34818 1 405 . 1 . 1 39 39 VAL HG11 H 1 0.404 . . . . . . . B 39 VAL HG11 . 34818 1 406 . 1 . 1 39 39 VAL HG12 H 1 0.404 . . . . . . . B 39 VAL HG12 . 34818 1 407 . 1 . 1 39 39 VAL HG13 H 1 0.404 . . . . . . . B 39 VAL HG13 . 34818 1 408 . 1 . 1 39 39 VAL HG21 H 1 0.694 . . . . . . . B 39 VAL HG21 . 34818 1 409 . 1 . 1 39 39 VAL HG22 H 1 0.694 . . . . . . . B 39 VAL HG22 . 34818 1 410 . 1 . 1 39 39 VAL HG23 H 1 0.694 . . . . . . . B 39 VAL HG23 . 34818 1 411 . 1 . 1 39 39 VAL CA C 13 64.858 . . . . . . . B 39 VAL CA . 34818 1 412 . 1 . 1 39 39 VAL CB C 13 31.506 . . . . . . . B 39 VAL CB . 34818 1 413 . 1 . 1 39 39 VAL CG1 C 13 21.298 . . . . . . . B 39 VAL CG1 . 34818 1 414 . 1 . 1 39 39 VAL CG2 C 13 21.096 . . . . . . . B 39 VAL CG2 . 34818 1 415 . 1 . 1 39 39 VAL N N 15 116.578 . . . . . . . B 39 VAL N . 34818 1 416 . 1 . 1 40 40 ARG H H 1 7.486 . . . . . . . B 40 ARG H . 34818 1 417 . 1 . 1 40 40 ARG HA H 1 4.110 . . . . . . . B 40 ARG HA . 34818 1 418 . 1 . 1 40 40 ARG HB2 H 1 1.853 . . . . . . . B 40 ARG HB2 . 34818 1 419 . 1 . 1 40 40 ARG HB3 H 1 1.883 . . . . . . . B 40 ARG HB3 . 34818 1 420 . 1 . 1 40 40 ARG HG2 H 1 1.582 . . . . . . . B 40 ARG HG2 . 34818 1 421 . 1 . 1 40 40 ARG HG3 H 1 1.664 . . . . . . . B 40 ARG HG3 . 34818 1 422 . 1 . 1 40 40 ARG HD3 H 1 3.170 . . . . . . . B 40 ARG HD3 . 34818 1 423 . 1 . 1 40 40 ARG CA C 13 58.259 . . . . . . . B 40 ARG CA . 34818 1 424 . 1 . 1 40 40 ARG CB C 13 30.472 . . . . . . . B 40 ARG CB . 34818 1 425 . 1 . 1 40 40 ARG CG C 13 27.311 . . . . . . . B 40 ARG CG . 34818 1 426 . 1 . 1 40 40 ARG CD C 13 43.480 . . . . . . . B 40 ARG CD . 34818 1 427 . 1 . 1 40 40 ARG N N 15 118.480 . . . . . . . B 40 ARG N . 34818 1 428 . 1 . 1 41 41 GLN H H 1 7.897 . . . . . . . B 41 GLN H . 34818 1 429 . 1 . 1 41 41 GLN HA H 1 4.281 . . . . . . . B 41 GLN HA . 34818 1 430 . 1 . 1 41 41 GLN HB2 H 1 2.136 . . . . . . . B 41 GLN HB2 . 34818 1 431 . 1 . 1 41 41 GLN HB3 H 1 2.193 . . . . . . . B 41 GLN HB3 . 34818 1 432 . 1 . 1 41 41 GLN HG2 H 1 2.417 . . . . . . . B 41 GLN HG2 . 34818 1 433 . 1 . 1 41 41 GLN HG3 H 1 2.509 . . . . . . . B 41 GLN HG3 . 34818 1 434 . 1 . 1 41 41 GLN HE21 H 1 7.433 . . . . . . . B 41 GLN HE21 . 34818 1 435 . 1 . 1 41 41 GLN HE22 H 1 6.849 . . . . . . . B 41 GLN HE22 . 34818 1 436 . 1 . 1 41 41 GLN CA C 13 56.799 . . . . . . . B 41 GLN CA . 34818 1 437 . 1 . 1 41 41 GLN CB C 13 29.368 . . . . . . . B 41 GLN CB . 34818 1 438 . 1 . 1 41 41 GLN CG C 13 34.234 . . . . . . . B 41 GLN CG . 34818 1 439 . 1 . 1 41 41 GLN N N 15 116.578 . . . . . . . B 41 GLN N . 34818 1 440 . 1 . 1 41 41 GLN NE2 N 15 111.317 . . . . . . . B 41 GLN NE2 . 34818 1 441 . 1 . 1 42 42 GLN H H 1 8.004 . . . . . . . B 42 GLN H . 34818 1 442 . 1 . 1 42 42 GLN HA H 1 4.370 . . . . . . . B 42 GLN HA . 34818 1 443 . 1 . 1 42 42 GLN HB2 H 1 2.144 . . . . . . . B 42 GLN HB2 . 34818 1 444 . 1 . 1 42 42 GLN HB3 H 1 2.222 . . . . . . . B 42 GLN HB3 . 34818 1 445 . 1 . 1 42 42 GLN HG2 H 1 2.421 . . . . . . . B 42 GLN HG2 . 34818 1 446 . 1 . 1 42 42 GLN HG3 H 1 2.451 . . . . . . . B 42 GLN HG3 . 34818 1 447 . 1 . 1 42 42 GLN HE21 H 1 7.513 . . . . . . . B 42 GLN HE21 . 34818 1 448 . 1 . 1 42 42 GLN HE22 H 1 6.911 . . . . . . . B 42 GLN HE22 . 34818 1 449 . 1 . 1 42 42 GLN CA C 13 56.046 . . . . . . . B 42 GLN CA . 34818 1 450 . 1 . 1 42 42 GLN CB C 13 28.690 . . . . . . . B 42 GLN CB . 34818 1 451 . 1 . 1 42 42 GLN CG C 13 33.943 . . . . . . . B 42 GLN CG . 34818 1 452 . 1 . 1 42 42 GLN N N 15 118.956 . . . . . . . B 42 GLN N . 34818 1 453 . 1 . 1 42 42 GLN NE2 N 15 111.680 . . . . . . . B 42 GLN NE2 . 34818 1 454 . 1 . 1 43 43 LYS H H 1 8.277 . . . . . . . B 43 LYS H . 34818 1 455 . 1 . 1 43 43 LYS HA H 1 4.274 . . . . . . . B 43 LYS HA . 34818 1 456 . 1 . 1 43 43 LYS HB2 H 1 1.839 . . . . . . . B 43 LYS HB2 . 34818 1 457 . 1 . 1 43 43 LYS HB3 H 1 1.907 . . . . . . . B 43 LYS HB3 . 34818 1 458 . 1 . 1 43 43 LYS HG2 H 1 1.450 . . . . . . . B 43 LYS HG2 . 34818 1 459 . 1 . 1 43 43 LYS HG3 H 1 1.508 . . . . . . . B 43 LYS HG3 . 34818 1 460 . 1 . 1 43 43 LYS HD3 H 1 1.683 . . . . . . . B 43 LYS HD3 . 34818 1 461 . 1 . 1 43 43 LYS HE3 H 1 1.685 . . . . . . . B 43 LYS HE3 . 34818 1 462 . 1 . 1 43 43 LYS CA C 13 57.291 . . . . . . . B 43 LYS CA . 34818 1 463 . 1 . 1 43 43 LYS CB C 13 32.613 . . . . . . . B 43 LYS CB . 34818 1 464 . 1 . 1 43 43 LYS CG C 13 25.045 . . . . . . . B 43 LYS CG . 34818 1 465 . 1 . 1 43 43 LYS CD C 13 29.252 . . . . . . . B 43 LYS CD . 34818 1 466 . 1 . 1 43 43 LYS CE C 13 42.154 . . . . . . . B 43 LYS CE . 34818 1 467 . 1 . 1 43 43 LYS N N 15 121.725 . . . . . . . B 43 LYS N . 34818 1 468 . 1 . 1 44 44 ARG H H 1 8.236 . . . . . . . B 44 ARG H . 34818 1 469 . 1 . 1 44 44 ARG HA H 1 4.351 . . . . . . . B 44 ARG HA . 34818 1 470 . 1 . 1 44 44 ARG HB2 H 1 1.757 . . . . . . . B 44 ARG HB2 . 34818 1 471 . 1 . 1 44 44 ARG HB3 H 1 1.891 . . . . . . . B 44 ARG HB3 . 34818 1 472 . 1 . 1 44 44 ARG HG2 H 1 1.574 . . . . . . . B 44 ARG HG2 . 34818 1 473 . 1 . 1 44 44 ARG HG3 H 1 1.661 . . . . . . . B 44 ARG HG3 . 34818 1 474 . 1 . 1 44 44 ARG HD2 H 1 3.180 . . . . . . . B 44 ARG HD2 . 34818 1 475 . 1 . 1 44 44 ARG HD3 H 1 3.211 . . . . . . . B 44 ARG HD3 . 34818 1 476 . 1 . 1 44 44 ARG CA C 13 56.054 . . . . . . . B 44 ARG CA . 34818 1 477 . 1 . 1 44 44 ARG CB C 13 30.502 . . . . . . . B 44 ARG CB . 34818 1 478 . 1 . 1 44 44 ARG CG C 13 27.314 . . . . . . . B 44 ARG CG . 34818 1 479 . 1 . 1 44 44 ARG CD C 13 43.292 . . . . . . . B 44 ARG CD . 34818 1 480 . 1 . 1 44 44 ARG N N 15 118.993 . . . . . . . B 44 ARG N . 34818 1 481 . 1 . 1 45 45 THR H H 1 7.989 . . . . . . . B 45 THR H . 34818 1 482 . 1 . 1 45 45 THR HA H 1 4.252 . . . . . . . B 45 THR HA . 34818 1 483 . 1 . 1 45 45 THR HB H 1 4.083 . . . . . . . B 45 THR HB . 34818 1 484 . 1 . 1 45 45 THR HG21 H 1 0.881 . . . . . . . B 45 THR HG21 . 34818 1 485 . 1 . 1 45 45 THR HG22 H 1 0.881 . . . . . . . B 45 THR HG22 . 34818 1 486 . 1 . 1 45 45 THR HG23 H 1 0.881 . . . . . . . B 45 THR HG23 . 34818 1 487 . 1 . 1 45 45 THR CA C 13 62.422 . . . . . . . B 45 THR CA . 34818 1 488 . 1 . 1 45 45 THR CB C 13 69.534 . . . . . . . B 45 THR CB . 34818 1 489 . 1 . 1 45 45 THR CG2 C 13 21.420 . . . . . . . B 45 THR CG2 . 34818 1 490 . 1 . 1 45 45 THR N N 15 116.138 . . . . . . . B 45 THR N . 34818 1 491 . 1 . 1 46 46 VAL H H 1 8.012 . . . . . . . B 46 VAL H . 34818 1 492 . 1 . 1 46 46 VAL HA H 1 4.112 . . . . . . . B 46 VAL HA . 34818 1 493 . 1 . 1 46 46 VAL HB H 1 1.996 . . . . . . . B 46 VAL HB . 34818 1 494 . 1 . 1 46 46 VAL HG11 H 1 0.730 . . . . . . . B 46 VAL HG11 . 34818 1 495 . 1 . 1 46 46 VAL HG12 H 1 0.730 . . . . . . . B 46 VAL HG12 . 34818 1 496 . 1 . 1 46 46 VAL HG13 H 1 0.730 . . . . . . . B 46 VAL HG13 . 34818 1 497 . 1 . 1 46 46 VAL HG21 H 1 0.747 . . . . . . . B 46 VAL HG21 . 34818 1 498 . 1 . 1 46 46 VAL HG22 H 1 0.747 . . . . . . . B 46 VAL HG22 . 34818 1 499 . 1 . 1 46 46 VAL HG23 H 1 0.747 . . . . . . . B 46 VAL HG23 . 34818 1 500 . 1 . 1 46 46 VAL CA C 13 62.494 . . . . . . . B 46 VAL CA . 34818 1 501 . 1 . 1 46 46 VAL CB C 13 32.603 . . . . . . . B 46 VAL CB . 34818 1 502 . 1 . 1 46 46 VAL CG1 C 13 20.180 . . . . . . . B 46 VAL CG1 . 34818 1 503 . 1 . 1 46 46 VAL CG2 C 13 21.019 . . . . . . . B 46 VAL CG2 . 34818 1 504 . 1 . 1 46 46 VAL N N 15 123.168 . . . . . . . B 46 VAL N . 34818 1 505 . 1 . 1 47 47 TRP H H 1 8.251 . . . . . . . B 47 TRP H . 34818 1 506 . 1 . 1 47 47 TRP HA H 1 4.895 . . . . . . . B 47 TRP HA . 34818 1 507 . 1 . 1 47 47 TRP HB2 H 1 3.125 . . . . . . . B 47 TRP HB2 . 34818 1 508 . 1 . 1 47 47 TRP HB3 H 1 3.189 . . . . . . . B 47 TRP HB3 . 34818 1 509 . 1 . 1 47 47 TRP HD1 H 1 7.202 . . . . . . . B 47 TRP HD1 . 34818 1 510 . 1 . 1 47 47 TRP HE1 H 1 10.090 . . . . . . . B 47 TRP HE1 . 34818 1 511 . 1 . 1 47 47 TRP HE3 H 1 7.378 . . . . . . . B 47 TRP HE3 . 34818 1 512 . 1 . 1 47 47 TRP HZ2 H 1 7.350 . . . . . . . B 47 TRP HZ2 . 34818 1 513 . 1 . 1 47 47 TRP HZ3 H 1 6.880 . . . . . . . B 47 TRP HZ3 . 34818 1 514 . 1 . 1 47 47 TRP HH2 H 1 7.021 . . . . . . . B 47 TRP HH2 . 34818 1 515 . 1 . 1 47 47 TRP CA C 13 56.428 . . . . . . . B 47 TRP CA . 34818 1 516 . 1 . 1 47 47 TRP CB C 13 30.660 . . . . . . . B 47 TRP CB . 34818 1 517 . 1 . 1 47 47 TRP CD1 C 13 127.420 . . . . . . . B 47 TRP CD1 . 34818 1 518 . 1 . 1 47 47 TRP CE3 C 13 120.461 . . . . . . . B 47 TRP CE3 . 34818 1 519 . 1 . 1 47 47 TRP CZ2 C 13 114.579 . . . . . . . B 47 TRP CZ2 . 34818 1 520 . 1 . 1 47 47 TRP CZ3 C 13 121.823 . . . . . . . B 47 TRP CZ3 . 34818 1 521 . 1 . 1 47 47 TRP CH2 C 13 124.113 . . . . . . . B 47 TRP CH2 . 34818 1 522 . 1 . 1 47 47 TRP N N 15 125.386 . . . . . . . B 47 TRP N . 34818 1 523 . 1 . 1 47 47 TRP NE1 N 15 129.191 . . . . . . . B 47 TRP NE1 . 34818 1 524 . 1 . 1 49 49 HIS HD2 H 1 7.182 . . . . . . . B 49 HIS HD2 . 34818 1 525 . 1 . 1 49 49 HIS CD2 C 13 119.997 . . . . . . . B 49 HIS CD2 . 34818 1 526 . 1 . 1 50 50 PRO HA H 1 4.524 . . . . . . . B 50 PRO HA . 34818 1 527 . 1 . 1 50 50 PRO HB2 H 1 1.396 . . . . . . . B 50 PRO HB2 . 34818 1 528 . 1 . 1 50 50 PRO HB3 H 1 1.771 . . . . . . . B 50 PRO HB3 . 34818 1 529 . 1 . 1 50 50 PRO HG3 H 1 2.006 . . . . . . . B 50 PRO HG3 . 34818 1 530 . 1 . 1 50 50 PRO HD2 H 1 3.642 . . . . . . . B 50 PRO HD2 . 34818 1 531 . 1 . 1 50 50 PRO HD3 H 1 3.683 . . . . . . . B 50 PRO HD3 . 34818 1 532 . 1 . 1 50 50 PRO CA C 13 63.033 . . . . . . . B 50 PRO CA . 34818 1 533 . 1 . 1 50 50 PRO CB C 13 32.003 . . . . . . . B 50 PRO CB . 34818 1 534 . 1 . 1 50 50 PRO CG C 13 27.534 . . . . . . . B 50 PRO CG . 34818 1 535 . 1 . 1 50 50 PRO CD C 13 50.593 . . . . . . . B 50 PRO CD . 34818 1 536 . 1 . 1 51 51 GLN H H 1 8.618 . . . . . . . B 51 GLN H . 34818 1 537 . 1 . 1 51 51 GLN HA H 1 4.398 . . . . . . . B 51 GLN HA . 34818 1 538 . 1 . 1 51 51 GLN HB2 H 1 1.852 . . . . . . . B 51 GLN HB2 . 34818 1 539 . 1 . 1 51 51 GLN HB3 H 1 1.990 . . . . . . . B 51 GLN HB3 . 34818 1 540 . 1 . 1 51 51 GLN HG2 H 1 2.214 . . . . . . . B 51 GLN HG2 . 34818 1 541 . 1 . 1 51 51 GLN HG3 H 1 2.250 . . . . . . . B 51 GLN HG3 . 34818 1 542 . 1 . 1 51 51 GLN HE21 H 1 7.492 . . . . . . . B 51 GLN HE21 . 34818 1 543 . 1 . 1 51 51 GLN HE22 H 1 6.827 . . . . . . . B 51 GLN HE22 . 34818 1 544 . 1 . 1 51 51 GLN CA C 13 54.815 . . . . . . . B 51 GLN CA . 34818 1 545 . 1 . 1 51 51 GLN CB C 13 30.656 . . . . . . . B 51 GLN CB . 34818 1 546 . 1 . 1 51 51 GLN CG C 13 33.748 . . . . . . . B 51 GLN CG . 34818 1 547 . 1 . 1 51 51 GLN N N 15 120.957 . . . . . . . B 51 GLN N . 34818 1 548 . 1 . 1 51 51 GLN NE2 N 15 112.509 . . . . . . . B 51 GLN NE2 . 34818 1 549 . 1 . 1 52 52 PHE H H 1 8.517 . . . . . . . B 52 PHE H . 34818 1 550 . 1 . 1 52 52 PHE HA H 1 4.829 . . . . . . . B 52 PHE HA . 34818 1 551 . 1 . 1 52 52 PHE HB2 H 1 2.917 . . . . . . . B 52 PHE HB2 . 34818 1 552 . 1 . 1 52 52 PHE HB3 H 1 3.199 . . . . . . . B 52 PHE HB3 . 34818 1 553 . 1 . 1 52 52 PHE HD1 H 1 7.274 . . . . . . . B 52 PHE HD1 . 34818 1 554 . 1 . 1 52 52 PHE HE1 H 1 7.227 . . . . . . . B 52 PHE HE1 . 34818 1 555 . 1 . 1 52 52 PHE HZ H 1 7.195 . . . . . . . B 52 PHE HZ . 34818 1 556 . 1 . 1 52 52 PHE CA C 13 57.939 . . . . . . . B 52 PHE CA . 34818 1 557 . 1 . 1 52 52 PHE CB C 13 39.658 . . . . . . . B 52 PHE CB . 34818 1 558 . 1 . 1 52 52 PHE CD1 C 13 131.974 . . . . . . . B 52 PHE CD1 . 34818 1 559 . 1 . 1 52 52 PHE CE1 C 13 131.251 . . . . . . . B 52 PHE CE1 . 34818 1 560 . 1 . 1 52 52 PHE CZ C 13 129.704 . . . . . . . B 52 PHE CZ . 34818 1 561 . 1 . 1 52 52 PHE N N 15 123.007 . . . . . . . B 52 PHE N . 34818 1 562 . 1 . 1 53 53 GLU H H 1 8.277 . . . . . . . B 53 GLU H . 34818 1 563 . 1 . 1 53 53 GLU HA H 1 4.301 . . . . . . . B 53 GLU HA . 34818 1 564 . 1 . 1 53 53 GLU HB2 H 1 1.747 . . . . . . . B 53 GLU HB2 . 34818 1 565 . 1 . 1 53 53 GLU HB3 H 1 2.011 . . . . . . . B 53 GLU HB3 . 34818 1 566 . 1 . 1 53 53 GLU HG3 H 1 2.122 . . . . . . . B 53 GLU HG3 . 34818 1 567 . 1 . 1 53 53 GLU CA C 13 56.140 . . . . . . . B 53 GLU CA . 34818 1 568 . 1 . 1 53 53 GLU CB C 13 30.964 . . . . . . . B 53 GLU CB . 34818 1 569 . 1 . 1 53 53 GLU CG C 13 35.948 . . . . . . . B 53 GLU CG . 34818 1 570 . 1 . 1 53 53 GLU N N 15 123.762 . . . . . . . B 53 GLU N . 34818 1 571 . 1 . 1 54 54 LYS H H 1 7.973 . . . . . . . B 54 LYS H . 34818 1 572 . 1 . 1 54 54 LYS HA H 1 4.169 . . . . . . . B 54 LYS HA . 34818 1 573 . 1 . 1 54 54 LYS HG3 H 1 1.403 . . . . . . . B 54 LYS HG3 . 34818 1 574 . 1 . 1 54 54 LYS HD3 H 1 1.700 . . . . . . . B 54 LYS HD3 . 34818 1 575 . 1 . 1 54 54 LYS HE3 H 1 2.996 . . . . . . . B 54 LYS HE3 . 34818 1 576 . 1 . 1 54 54 LYS CA C 13 57.701 . . . . . . . B 54 LYS CA . 34818 1 577 . 1 . 1 54 54 LYS CB C 13 33.861 . . . . . . . B 54 LYS CB . 34818 1 578 . 1 . 1 54 54 LYS CG C 13 24.790 . . . . . . . B 54 LYS CG . 34818 1 579 . 1 . 1 54 54 LYS CD C 13 28.978 . . . . . . . B 54 LYS CD . 34818 1 580 . 1 . 1 54 54 LYS CE C 13 42.233 . . . . . . . B 54 LYS CE . 34818 1 581 . 1 . 1 54 54 LYS N N 15 127.557 . . . . . . . B 54 LYS N . 34818 1 stop_ save_