data_26982 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26982 _Entry.Title ; Chemical shift assignments of the RYBP NZF domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-12-21 _Entry.Accession_date 2016-12-21 _Entry.Last_release_date 2016-12-28 _Entry.Original_release_date 2016-12-28 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 . 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 Brian Lee . L. . . 26982 2 Leo Spyracopoulos . . . . 26982 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26982 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 144 26982 '15N chemical shifts' 35 26982 '1H chemical shifts' 197 26982 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2018-02-09 . original BMRB . 26982 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26982 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29320735 _Citation.Full_citation . _Citation.Title ; RYBP Is a K63-Ubiquitin-Chain-Binding Protein that Inhibits Homologous Recombination Repair ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Cell Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 22 _Citation.Journal_issue 2 _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 383 _Citation.Page_last 395 _Citation.Year 2018 _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 Mohammad Ali . AM . . 26982 1 2 Hilmar Strickfaden . . . . 26982 1 3 Brian Lee . L. . . 26982 1 4 Leo Spyracopoulos . . . . 26982 1 5 Michael Hendzel . J. . . 26982 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26982 _Assembly.ID 1 _Assembly.Name 'RYBP NZF domain' _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 'RYBP NZF domain' 1 $RYBP_NZF_domain A . yes native no no . . . 26982 1 2 'ZINC ION' 2 $entity_ZN B . no native no no . . . 26982 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 coordinate single . 1 . 1 CYS 12 12 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 26982 1 2 coordinate single . 1 . 1 CYS 15 15 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 26982 1 3 coordinate single . 1 . 1 CYS 26 26 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 26982 1 4 coordinate single . 1 . 1 CYS 29 29 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 26982 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RYBP_NZF_domain _Entity.Sf_category entity _Entity.Sf_framecode RYBP_NZF_domain _Entity.Entry_ID 26982 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RYBP_NZF_domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSDEGFWDCSVCTFRNS AEAFKCSICDVRKGTST ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 37 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 26982 1 2 . PRO . 26982 1 3 . LEU . 26982 1 4 . GLY . 26982 1 5 . SER . 26982 1 6 . ASP . 26982 1 7 . GLU . 26982 1 8 . GLY . 26982 1 9 . PHE . 26982 1 10 . TRP . 26982 1 11 . ASP . 26982 1 12 . CYS . 26982 1 13 . SER . 26982 1 14 . VAL . 26982 1 15 . CYS . 26982 1 16 . THR . 26982 1 17 . PHE . 26982 1 18 . ARG . 26982 1 19 . ASN . 26982 1 20 . SER . 26982 1 21 . ALA . 26982 1 22 . GLU . 26982 1 23 . ALA . 26982 1 24 . PHE . 26982 1 25 . LYS . 26982 1 26 . CYS . 26982 1 27 . SER . 26982 1 28 . ILE . 26982 1 29 . CYS . 26982 1 30 . ASP . 26982 1 31 . VAL . 26982 1 32 . ARG . 26982 1 33 . LYS . 26982 1 34 . GLY . 26982 1 35 . THR . 26982 1 36 . SER . 26982 1 37 . THR . 26982 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 26982 1 . PRO 2 2 26982 1 . LEU 3 3 26982 1 . GLY 4 4 26982 1 . SER 5 5 26982 1 . ASP 6 6 26982 1 . GLU 7 7 26982 1 . GLY 8 8 26982 1 . PHE 9 9 26982 1 . TRP 10 10 26982 1 . ASP 11 11 26982 1 . CYS 12 12 26982 1 . SER 13 13 26982 1 . VAL 14 14 26982 1 . CYS 15 15 26982 1 . THR 16 16 26982 1 . PHE 17 17 26982 1 . ARG 18 18 26982 1 . ASN 19 19 26982 1 . SER 20 20 26982 1 . ALA 21 21 26982 1 . GLU 22 22 26982 1 . ALA 23 23 26982 1 . PHE 24 24 26982 1 . LYS 25 25 26982 1 . CYS 26 26 26982 1 . SER 27 27 26982 1 . ILE 28 28 26982 1 . CYS 29 29 26982 1 . ASP 30 30 26982 1 . VAL 31 31 26982 1 . ARG 32 32 26982 1 . LYS 33 33 26982 1 . GLY 34 34 26982 1 . THR 35 35 26982 1 . SER 36 36 26982 1 . THR 37 37 26982 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 26982 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _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 26982 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 26982 2 ZN 'Three letter code' 26982 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 26982 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 26982 _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 $RYBP_NZF_domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26982 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 26982 _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 $RYBP_NZF_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGEX-6P-1 . . . 26982 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 26982 _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.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 . _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 26982 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 26982 ZN [Zn++] SMILES CACTVS 3.341 26982 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 26982 ZN [Zn+2] SMILES ACDLabs 10.04 26982 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 26982 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 26982 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 26982 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 26982 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 . 26982 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26982 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'RYBP NZF domain' '[U-13C; U-15N]' . . 1 $RYBP_NZF_domain . . 0.2 . . mM . . . . 26982 1 2 DSS [U-2H] . . . . . . 1 . . mM . . . . 26982 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 26982 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 26982 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 26982 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 . pH 26982 1 pressure 1 . atm 26982 1 temperature 273 . K 26982 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 26982 _Software.ID 1 _Software.Type . _Software.Name VNMRJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 26982 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26982 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26982 _Software.ID 2 _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' . . 26982 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26982 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 26982 _Software.ID 3 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 26982 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26982 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26982 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26982 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 26982 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 26982 _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 $spectrometer_1 . . . . . . . . . . . . . . . . 26982 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26982 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26982 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26982 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26982 1 6 '3D 1H-13C TOCSY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26982 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26982 1 8 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26982 1 9 '2D HBCBCGCDHD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26982 1 10 '2D HBCBCGCDCEHE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26982 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 26982 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26982 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26982 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26982 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 26982 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26982 1 2 '2D 1H-13C HSQC aliphatic' . . . 26982 1 3 '2D 1H-13C HSQC aromatic' . . . 26982 1 4 '3D CBCA(CO)NH' . . . 26982 1 5 '3D HNCACB' . . . 26982 1 6 '3D 1H-13C TOCSY aliphatic' . . . 26982 1 7 '3D HNCO' . . . 26982 1 8 '3D HN(CA)CO' . . . 26982 1 9 '2D HBCBCGCDHD' . . . 26982 1 10 '2D HBCBCGCDCEHE' . . . 26982 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.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 GLY HA3 H 1 3.9444 0.03 . 2 . . . . . 1 GLY HA3 . 26982 1 2 . 1 1 1 1 GLY CA C 13 43.6984 0.2 . 1 . . . . . 1 GLY CA . 26982 1 3 . 1 1 2 2 PRO HA H 1 4.4694 0.03 . 1 . . . . . 2 PRO HA . 26982 1 4 . 1 1 2 2 PRO HB2 H 1 1.9440 0.03 . 2 . . . . . 2 PRO HB2 . 26982 1 5 . 1 1 2 2 PRO HB3 H 1 2.3170 0.03 . 2 . . . . . 2 PRO HB3 . 26982 1 6 . 1 1 2 2 PRO HG3 H 1 2.0111 0.03 . 2 . . . . . 2 PRO HG3 . 26982 1 7 . 1 1 2 2 PRO HD3 H 1 3.5758 0.03 . 2 . . . . . 2 PRO HD3 . 26982 1 8 . 1 1 2 2 PRO C C 13 177.0633 0.2 . 1 . . . . . 2 PRO C . 26982 1 9 . 1 1 2 2 PRO CA C 13 63.2157 0.2 . 1 . . . . . 2 PRO CA . 26982 1 10 . 1 1 2 2 PRO CB C 13 32.4007 0.2 . 1 . . . . . 2 PRO CB . 26982 1 11 . 1 1 2 2 PRO CG C 13 27.1046 0.2 . 1 . . . . . 2 PRO CG . 26982 1 12 . 1 1 2 2 PRO CD C 13 49.6849 0.2 . 1 . . . . . 2 PRO CD . 26982 1 13 . 1 1 3 3 LEU H H 1 8.5359 0.03 . 1 . . . . . 3 LEU H . 26982 1 14 . 1 1 3 3 LEU HA H 1 4.3635 0.03 . 1 . . . . . 3 LEU HA . 26982 1 15 . 1 1 3 3 LEU HB2 H 1 1.6081 0.03 . 2 . . . . . 3 LEU HB2 . 26982 1 16 . 1 1 3 3 LEU HB3 H 1 1.6780 0.03 . 2 . . . . . 3 LEU HB3 . 26982 1 17 . 1 1 3 3 LEU HG H 1 1.6620 0.03 . 1 . . . . . 3 LEU HG . 26982 1 18 . 1 1 3 3 LEU HD11 H 1 0.9346 0.03 . 2 . . . . . 3 LEU HD11 . 26982 1 19 . 1 1 3 3 LEU HD12 H 1 0.9346 0.03 . 2 . . . . . 3 LEU HD11 . 26982 1 20 . 1 1 3 3 LEU HD13 H 1 0.9346 0.03 . 2 . . . . . 3 LEU HD11 . 26982 1 21 . 1 1 3 3 LEU HD21 H 1 0.8914 0.03 . 2 . . . . . 3 LEU HD21 . 26982 1 22 . 1 1 3 3 LEU HD22 H 1 0.8914 0.03 . 2 . . . . . 3 LEU HD21 . 26982 1 23 . 1 1 3 3 LEU HD23 H 1 0.8914 0.03 . 2 . . . . . 3 LEU HD21 . 26982 1 24 . 1 1 3 3 LEU C C 13 177.9432 0.2 . 1 . . . . . 3 LEU C . 26982 1 25 . 1 1 3 3 LEU CA C 13 55.4328 0.2 . 1 . . . . . 3 LEU CA . 26982 1 26 . 1 1 3 3 LEU CB C 13 42.2913 0.2 . 1 . . . . . 3 LEU CB . 26982 1 27 . 1 1 3 3 LEU CG C 13 27.0724 0.2 . 1 . . . . . 3 LEU CG . 26982 1 28 . 1 1 3 3 LEU CD1 C 13 24.9387 0.2 . 2 . . . . . 3 LEU CD1 . 26982 1 29 . 1 1 3 3 LEU CD2 C 13 23.5417 0.2 . 2 . . . . . 3 LEU CD2 . 26982 1 30 . 1 1 3 3 LEU N N 15 122.2240 0.1 . 1 . . . . . 3 LEU N . 26982 1 31 . 1 1 4 4 GLY H H 1 8.4676 0.03 . 1 . . . . . 4 GLY H . 26982 1 32 . 1 1 4 4 GLY HA2 H 1 3.9662 0.03 . 2 . . . . . 4 GLY HA2 . 26982 1 33 . 1 1 4 4 GLY HA3 H 1 4.0384 0.03 . 2 . . . . . 4 GLY HA3 . 26982 1 34 . 1 1 4 4 GLY C C 13 174.3475 0.2 . 1 . . . . . 4 GLY C . 26982 1 35 . 1 1 4 4 GLY CA C 13 45.3724 0.2 . 1 . . . . . 4 GLY CA . 26982 1 36 . 1 1 4 4 GLY N N 15 110.2591 0.1 . 1 . . . . . 4 GLY N . 26982 1 37 . 1 1 5 5 SER HA H 1 4.4638 0.03 . 1 . . . . . 5 SER HA . 26982 1 38 . 1 1 5 5 SER HB2 H 1 3.8477 0.03 . 2 . . . . . 5 SER HB2 . 26982 1 39 . 1 1 5 5 SER HB3 H 1 3.9097 0.03 . 2 . . . . . 5 SER HB3 . 26982 1 40 . 1 1 5 5 SER C C 13 174.4780 0.2 . 1 . . . . . 5 SER C . 26982 1 41 . 1 1 5 5 SER CA C 13 58.4992 0.2 . 1 . . . . . 5 SER CA . 26982 1 42 . 1 1 5 5 SER CB C 13 63.9724 0.2 . 1 . . . . . 5 SER CB . 26982 1 43 . 1 1 6 6 ASP H H 1 8.4679 0.03 . 1 . . . . . 6 ASP H . 26982 1 44 . 1 1 6 6 ASP HA H 1 4.6198 0.03 . 1 . . . . . 6 ASP HA . 26982 1 45 . 1 1 6 6 ASP HB2 H 1 2.6218 0.03 . 2 . . . . . 6 ASP HB2 . 26982 1 46 . 1 1 6 6 ASP HB3 H 1 2.6777 0.03 . 2 . . . . . 6 ASP HB3 . 26982 1 47 . 1 1 6 6 ASP C C 13 176.1701 0.2 . 1 . . . . . 6 ASP C . 26982 1 48 . 1 1 6 6 ASP CA C 13 54.4827 0.2 . 1 . . . . . 6 ASP CA . 26982 1 49 . 1 1 6 6 ASP CB C 13 41.1830 0.2 . 1 . . . . . 6 ASP CB . 26982 1 50 . 1 1 6 6 ASP N N 15 122.3386 0.1 . 1 . . . . . 6 ASP N . 26982 1 51 . 1 1 7 7 GLU H H 1 8.2759 0.03 . 1 . . . . . 7 GLU H . 26982 1 52 . 1 1 7 7 GLU HA H 1 4.2842 0.03 . 1 . . . . . 7 GLU HA . 26982 1 53 . 1 1 7 7 GLU HB2 H 1 1.9234 0.03 . 2 . . . . . 7 GLU HB2 . 26982 1 54 . 1 1 7 7 GLU HB3 H 1 2.0591 0.03 . 2 . . . . . 7 GLU HB3 . 26982 1 55 . 1 1 7 7 GLU HG3 H 1 2.2537 0.03 . 2 . . . . . 7 GLU HG3 . 26982 1 56 . 1 1 7 7 GLU C C 13 177.1077 0.2 . 1 . . . . . 7 GLU C . 26982 1 57 . 1 1 7 7 GLU CA C 13 56.9728 0.2 . 1 . . . . . 7 GLU CA . 26982 1 58 . 1 1 7 7 GLU CB C 13 30.4309 0.2 . 1 . . . . . 7 GLU CB . 26982 1 59 . 1 1 7 7 GLU CG C 13 36.4654 0.2 . 1 . . . . . 7 GLU CG . 26982 1 60 . 1 1 7 7 GLU N N 15 120.4547 0.1 . 1 . . . . . 7 GLU N . 26982 1 61 . 1 1 8 8 GLY H H 1 8.5572 0.03 . 1 . . . . . 8 GLY H . 26982 1 62 . 1 1 8 8 GLY HA2 H 1 3.9056 0.03 . 2 . . . . . 8 GLY HA2 . 26982 1 63 . 1 1 8 8 GLY HA3 H 1 3.9864 0.03 . 2 . . . . . 8 GLY HA3 . 26982 1 64 . 1 1 8 8 GLY C C 13 173.7564 0.2 . 1 . . . . . 8 GLY C . 26982 1 65 . 1 1 8 8 GLY CA C 13 45.7446 0.2 . 1 . . . . . 8 GLY CA . 26982 1 66 . 1 1 8 8 GLY N N 15 109.3013 0.1 . 1 . . . . . 8 GLY N . 26982 1 67 . 1 1 9 9 PHE H H 1 7.5633 0.03 . 1 . . . . . 9 PHE H . 26982 1 68 . 1 1 9 9 PHE HA H 1 5.1235 0.03 . 1 . . . . . 9 PHE HA . 26982 1 69 . 1 1 9 9 PHE HB3 H 1 2.9418 0.03 . 2 . . . . . 9 PHE HB3 . 26982 1 70 . 1 1 9 9 PHE HD1 H 1 6.9921 0.03 . 3 . . . . . 9 PHE HD1 . 26982 1 71 . 1 1 9 9 PHE HE1 H 1 7.3078 0.03 . 3 . . . . . 9 PHE HE1 . 26982 1 72 . 1 1 9 9 PHE C C 13 174.7035 0.2 . 1 . . . . . 9 PHE C . 26982 1 73 . 1 1 9 9 PHE CA C 13 57.1144 0.2 . 1 . . . . . 9 PHE CA . 26982 1 74 . 1 1 9 9 PHE CB C 13 41.1216 0.2 . 1 . . . . . 9 PHE CB . 26982 1 75 . 1 1 9 9 PHE CD1 C 13 132.0127 0.2 . 3 . . . . . 9 PHE CD1 . 26982 1 76 . 1 1 9 9 PHE CE1 C 13 131.3579 0.2 . 3 . . . . . 9 PHE CE1 . 26982 1 77 . 1 1 9 9 PHE N N 15 117.8236 0.1 . 1 . . . . . 9 PHE N . 26982 1 78 . 1 1 10 10 TRP H H 1 8.7049 0.03 . 1 . . . . . 10 TRP H . 26982 1 79 . 1 1 10 10 TRP HA H 1 4.9002 0.03 . 1 . . . . . 10 TRP HA . 26982 1 80 . 1 1 10 10 TRP HB2 H 1 3.1132 0.03 . 2 . . . . . 10 TRP HB2 . 26982 1 81 . 1 1 10 10 TRP HB3 H 1 3.2706 0.03 . 2 . . . . . 10 TRP HB3 . 26982 1 82 . 1 1 10 10 TRP HD1 H 1 6.9518 0.03 . 1 . . . . . 10 TRP HD1 . 26982 1 83 . 1 1 10 10 TRP HE1 H 1 9.7361 0.03 . 1 . . . . . 10 TRP HE1 . 26982 1 84 . 1 1 10 10 TRP HE3 H 1 7.3636 0.03 . 1 . . . . . 10 TRP HE3 . 26982 1 85 . 1 1 10 10 TRP HZ2 H 1 6.7030 0.03 . 1 . . . . . 10 TRP HZ2 . 26982 1 86 . 1 1 10 10 TRP HZ3 H 1 7.3082 0.03 . 1 . . . . . 10 TRP HZ3 . 26982 1 87 . 1 1 10 10 TRP HH2 H 1 6.8794 0.03 . 1 . . . . . 10 TRP HH2 . 26982 1 88 . 1 1 10 10 TRP C C 13 173.0986 0.2 . 1 . . . . . 10 TRP C . 26982 1 89 . 1 1 10 10 TRP CA C 13 55.1270 0.2 . 1 . . . . . 10 TRP CA . 26982 1 90 . 1 1 10 10 TRP CB C 13 30.6896 0.2 . 1 . . . . . 10 TRP CB . 26982 1 91 . 1 1 10 10 TRP CD1 C 13 127.7910 0.2 . 1 . . . . . 10 TRP CD1 . 26982 1 92 . 1 1 10 10 TRP CE3 C 13 120.7168 0.2 . 1 . . . . . 10 TRP CE3 . 26982 1 93 . 1 1 10 10 TRP CZ2 C 13 113.8309 0.2 . 1 . . . . . 10 TRP CZ2 . 26982 1 94 . 1 1 10 10 TRP CZ3 C 13 121.4242 0.2 . 1 . . . . . 10 TRP CZ3 . 26982 1 95 . 1 1 10 10 TRP CH2 C 13 123.7503 0.2 . 1 . . . . . 10 TRP CH2 . 26982 1 96 . 1 1 10 10 TRP N N 15 117.5356 0.1 . 1 . . . . . 10 TRP N . 26982 1 97 . 1 1 10 10 TRP NE1 N 15 131.1898 0.1 . 1 . . . . . 10 TRP NE1 . 26982 1 98 . 1 1 11 11 ASP H H 1 8.9545 0.03 . 1 . . . . . 11 ASP H . 26982 1 99 . 1 1 11 11 ASP HA H 1 5.1264 0.03 . 1 . . . . . 11 ASP HA . 26982 1 100 . 1 1 11 11 ASP HB2 H 1 2.2513 0.03 . 2 . . . . . 11 ASP HB2 . 26982 1 101 . 1 1 11 11 ASP HB3 H 1 2.5085 0.03 . 2 . . . . . 11 ASP HB3 . 26982 1 102 . 1 1 11 11 ASP C C 13 176.0774 0.2 . 1 . . . . . 11 ASP C . 26982 1 103 . 1 1 11 11 ASP CA C 13 53.0849 0.2 . 1 . . . . . 11 ASP CA . 26982 1 104 . 1 1 11 11 ASP CB C 13 41.5013 0.2 . 1 . . . . . 11 ASP CB . 26982 1 105 . 1 1 11 11 ASP N N 15 122.9365 0.1 . 1 . . . . . 11 ASP N . 26982 1 106 . 1 1 12 12 CYS H H 1 9.0391 0.03 . 1 . . . . . 12 CYS H . 26982 1 107 . 1 1 12 12 CYS HA H 1 4.5626 0.03 . 1 . . . . . 12 CYS HA . 26982 1 108 . 1 1 12 12 CYS HB2 H 1 2.7675 0.03 . 2 . . . . . 12 CYS HB2 . 26982 1 109 . 1 1 12 12 CYS HB3 H 1 3.2205 0.03 . 2 . . . . . 12 CYS HB3 . 26982 1 110 . 1 1 12 12 CYS C C 13 178.5073 0.2 . 1 . . . . . 12 CYS C . 26982 1 111 . 1 1 12 12 CYS CA C 13 60.3591 0.2 . 1 . . . . . 12 CYS CA . 26982 1 112 . 1 1 12 12 CYS CB C 13 31.3266 0.2 . 1 . . . . . 12 CYS CB . 26982 1 113 . 1 1 12 12 CYS N N 15 128.1224 0.1 . 1 . . . . . 12 CYS N . 26982 1 114 . 1 1 13 13 SER H H 1 9.2451 0.03 . 1 . . . . . 13 SER H . 26982 1 115 . 1 1 13 13 SER HA H 1 4.3020 0.03 . 1 . . . . . 13 SER HA . 26982 1 116 . 1 1 13 13 SER HB3 H 1 4.0915 0.03 . 2 . . . . . 13 SER HB3 . 26982 1 117 . 1 1 13 13 SER C C 13 174.0322 0.2 . 1 . . . . . 13 SER C . 26982 1 118 . 1 1 13 13 SER CA C 13 60.8817 0.2 . 1 . . . . . 13 SER CA . 26982 1 119 . 1 1 13 13 SER CB C 13 63.4122 0.2 . 1 . . . . . 13 SER CB . 26982 1 120 . 1 1 13 13 SER N N 15 127.2544 0.1 . 1 . . . . . 13 SER N . 26982 1 121 . 1 1 14 14 VAL H H 1 9.3687 0.03 . 1 . . . . . 14 VAL H . 26982 1 122 . 1 1 14 14 VAL HA H 1 4.0448 0.03 . 1 . . . . . 14 VAL HA . 26982 1 123 . 1 1 14 14 VAL HB H 1 2.4019 0.03 . 1 . . . . . 14 VAL HB . 26982 1 124 . 1 1 14 14 VAL HG11 H 1 1.0218 0.03 . 2 . . . . . 14 VAL HG11 . 26982 1 125 . 1 1 14 14 VAL HG12 H 1 1.0218 0.03 . 2 . . . . . 14 VAL HG11 . 26982 1 126 . 1 1 14 14 VAL HG13 H 1 1.0218 0.03 . 2 . . . . . 14 VAL HG11 . 26982 1 127 . 1 1 14 14 VAL HG21 H 1 0.9514 0.03 . 2 . . . . . 14 VAL HG21 . 26982 1 128 . 1 1 14 14 VAL HG22 H 1 0.9514 0.03 . 2 . . . . . 14 VAL HG21 . 26982 1 129 . 1 1 14 14 VAL HG23 H 1 0.9514 0.03 . 2 . . . . . 14 VAL HG21 . 26982 1 130 . 1 1 14 14 VAL C C 13 177.6801 0.2 . 1 . . . . . 14 VAL C . 26982 1 131 . 1 1 14 14 VAL CA C 13 65.4418 0.2 . 1 . . . . . 14 VAL CA . 26982 1 132 . 1 1 14 14 VAL CB C 13 32.6150 0.2 . 1 . . . . . 14 VAL CB . 26982 1 133 . 1 1 14 14 VAL CG1 C 13 22.3405 0.2 . 2 . . . . . 14 VAL CG1 . 26982 1 134 . 1 1 14 14 VAL CG2 C 13 21.3782 0.2 . 2 . . . . . 14 VAL CG2 . 26982 1 135 . 1 1 14 14 VAL N N 15 125.8647 0.1 . 1 . . . . . 14 VAL N . 26982 1 136 . 1 1 15 15 CYS H H 1 9.1017 0.03 . 1 . . . . . 15 CYS H . 26982 1 137 . 1 1 15 15 CYS HA H 1 5.1194 0.03 . 1 . . . . . 15 CYS HA . 26982 1 138 . 1 1 15 15 CYS HB2 H 1 2.6413 0.03 . 2 . . . . . 15 CYS HB2 . 26982 1 139 . 1 1 15 15 CYS HB3 H 1 3.3251 0.03 . 2 . . . . . 15 CYS HB3 . 26982 1 140 . 1 1 15 15 CYS C C 13 178.4246 0.2 . 1 . . . . . 15 CYS C . 26982 1 141 . 1 1 15 15 CYS CA C 13 59.2484 0.2 . 1 . . . . . 15 CYS CA . 26982 1 142 . 1 1 15 15 CYS CB C 13 32.2157 0.2 . 1 . . . . . 15 CYS CB . 26982 1 143 . 1 1 15 15 CYS N N 15 121.0627 0.1 . 1 . . . . . 15 CYS N . 26982 1 144 . 1 1 16 16 THR H H 1 7.5613 0.03 . 1 . . . . . 16 THR H . 26982 1 145 . 1 1 16 16 THR HA H 1 4.3472 0.03 . 1 . . . . . 16 THR HA . 26982 1 146 . 1 1 16 16 THR HB H 1 4.5140 0.03 . 1 . . . . . 16 THR HB . 26982 1 147 . 1 1 16 16 THR HG21 H 1 1.1719 0.03 . 1 . . . . . 16 THR HG21 . 26982 1 148 . 1 1 16 16 THR HG22 H 1 1.1719 0.03 . 1 . . . . . 16 THR HG21 . 26982 1 149 . 1 1 16 16 THR HG23 H 1 1.1719 0.03 . 1 . . . . . 16 THR HG21 . 26982 1 150 . 1 1 16 16 THR C C 13 172.2054 0.2 . 1 . . . . . 16 THR C . 26982 1 151 . 1 1 16 16 THR CA C 13 65.7764 0.2 . 1 . . . . . 16 THR CA . 26982 1 152 . 1 1 16 16 THR CB C 13 69.8548 0.2 . 1 . . . . . 16 THR CB . 26982 1 153 . 1 1 16 16 THR CG2 C 13 21.9441 0.2 . 1 . . . . . 16 THR CG2 . 26982 1 154 . 1 1 16 16 THR N N 15 116.3244 0.1 . 1 . . . . . 16 THR N . 26982 1 155 . 1 1 17 17 PHE H H 1 8.9909 0.03 . 1 . . . . . 17 PHE H . 26982 1 156 . 1 1 17 17 PHE HA H 1 4.1622 0.03 . 1 . . . . . 17 PHE HA . 26982 1 157 . 1 1 17 17 PHE HB2 H 1 2.7277 0.03 . 2 . . . . . 17 PHE HB2 . 26982 1 158 . 1 1 17 17 PHE HB3 H 1 3.2851 0.03 . 2 . . . . . 17 PHE HB3 . 26982 1 159 . 1 1 17 17 PHE HD1 H 1 7.0622 0.03 . 3 . . . . . 17 PHE HD1 . 26982 1 160 . 1 1 17 17 PHE HE1 H 1 7.2060 0.03 . 3 . . . . . 17 PHE HE1 . 26982 1 161 . 1 1 17 17 PHE C C 13 173.8576 0.2 . 1 . . . . . 17 PHE C . 26982 1 162 . 1 1 17 17 PHE CA C 13 60.7180 0.2 . 1 . . . . . 17 PHE CA . 26982 1 163 . 1 1 17 17 PHE CB C 13 40.8284 0.2 . 1 . . . . . 17 PHE CB . 26982 1 164 . 1 1 17 17 PHE CD1 C 13 132.2081 0.2 . 3 . . . . . 17 PHE CD1 . 26982 1 165 . 1 1 17 17 PHE CE1 C 13 131.3383 0.2 . 3 . . . . . 17 PHE CE1 . 26982 1 166 . 1 1 17 17 PHE N N 15 127.1627 0.1 . 1 . . . . . 17 PHE N . 26982 1 167 . 1 1 18 18 ARG H H 1 7.0159 0.03 . 1 . . . . . 18 ARG H . 26982 1 168 . 1 1 18 18 ARG HA H 1 4.4421 0.03 . 1 . . . . . 18 ARG HA . 26982 1 169 . 1 1 18 18 ARG HB3 H 1 1.3668 0.03 . 2 . . . . . 18 ARG HB3 . 26982 1 170 . 1 1 18 18 ARG HG2 H 1 1.1156 0.03 . 2 . . . . . 18 ARG HG2 . 26982 1 171 . 1 1 18 18 ARG HG3 H 1 1.1859 0.03 . 2 . . . . . 18 ARG HG3 . 26982 1 172 . 1 1 18 18 ARG HD2 H 1 2.2757 0.03 . 2 . . . . . 18 ARG HD2 . 26982 1 173 . 1 1 18 18 ARG HD3 H 1 2.6153 0.03 . 2 . . . . . 18 ARG HD3 . 26982 1 174 . 1 1 18 18 ARG C C 13 173.5924 0.2 . 1 . . . . . 18 ARG C . 26982 1 175 . 1 1 18 18 ARG CA C 13 56.1562 0.2 . 1 . . . . . 18 ARG CA . 26982 1 176 . 1 1 18 18 ARG CB C 13 29.4251 0.2 . 1 . . . . . 18 ARG CB . 26982 1 177 . 1 1 18 18 ARG CG C 13 26.6455 0.2 . 1 . . . . . 18 ARG CG . 26982 1 178 . 1 1 18 18 ARG CD C 13 43.0179 0.2 . 1 . . . . . 18 ARG CD . 26982 1 179 . 1 1 18 18 ARG N N 15 127.3534 0.1 . 1 . . . . . 18 ARG N . 26982 1 180 . 1 1 19 19 ASN H H 1 8.7879 0.03 . 1 . . . . . 19 ASN H . 26982 1 181 . 1 1 19 19 ASN HA H 1 4.4695 0.03 . 1 . . . . . 19 ASN HA . 26982 1 182 . 1 1 19 19 ASN HB2 H 1 0.4552 0.03 . 2 . . . . . 19 ASN HB2 . 26982 1 183 . 1 1 19 19 ASN HB3 H 1 1.8868 0.03 . 2 . . . . . 19 ASN HB3 . 26982 1 184 . 1 1 19 19 ASN HD21 H 1 7.6841 0.03 . 2 . . . . . 19 ASN HD21 . 26982 1 185 . 1 1 19 19 ASN C C 13 174.2043 0.2 . 1 . . . . . 19 ASN C . 26982 1 186 . 1 1 19 19 ASN CA C 13 53.1971 0.2 . 1 . . . . . 19 ASN CA . 26982 1 187 . 1 1 19 19 ASN CB C 13 43.2592 0.2 . 1 . . . . . 19 ASN CB . 26982 1 188 . 1 1 19 19 ASN N N 15 126.2366 0.1 . 1 . . . . . 19 ASN N . 26982 1 189 . 1 1 19 19 ASN ND2 N 15 115.7218 0.1 . 1 . . . . . 19 ASN ND2 . 26982 1 190 . 1 1 20 20 SER H H 1 8.4087 0.03 . 1 . . . . . 20 SER H . 26982 1 191 . 1 1 20 20 SER HA H 1 4.2134 0.03 . 1 . . . . . 20 SER HA . 26982 1 192 . 1 1 20 20 SER HB2 H 1 3.8997 0.03 . 2 . . . . . 20 SER HB2 . 26982 1 193 . 1 1 20 20 SER HB3 H 1 4.0868 0.03 . 2 . . . . . 20 SER HB3 . 26982 1 194 . 1 1 20 20 SER C C 13 175.3752 0.2 . 1 . . . . . 20 SER C . 26982 1 195 . 1 1 20 20 SER CA C 13 57.8392 0.2 . 1 . . . . . 20 SER CA . 26982 1 196 . 1 1 20 20 SER CB C 13 64.1116 0.2 . 1 . . . . . 20 SER CB . 26982 1 197 . 1 1 20 20 SER N N 15 113.5502 0.1 . 1 . . . . . 20 SER N . 26982 1 198 . 1 1 21 21 ALA H H 1 8.0464 0.03 . 1 . . . . . 21 ALA H . 26982 1 199 . 1 1 21 21 ALA HA H 1 4.1705 0.03 . 1 . . . . . 21 ALA HA . 26982 1 200 . 1 1 21 21 ALA HB1 H 1 1.3811 0.03 . 1 . . . . . 21 ALA HB1 . 26982 1 201 . 1 1 21 21 ALA HB2 H 1 1.3811 0.03 . 1 . . . . . 21 ALA HB1 . 26982 1 202 . 1 1 21 21 ALA HB3 H 1 1.3811 0.03 . 1 . . . . . 21 ALA HB1 . 26982 1 203 . 1 1 21 21 ALA C C 13 178.7637 0.2 . 1 . . . . . 21 ALA C . 26982 1 204 . 1 1 21 21 ALA CA C 13 55.0957 0.2 . 1 . . . . . 21 ALA CA . 26982 1 205 . 1 1 21 21 ALA CB C 13 19.1383 0.2 . 1 . . . . . 21 ALA CB . 26982 1 206 . 1 1 21 21 ALA N N 15 123.6965 0.1 . 1 . . . . . 21 ALA N . 26982 1 207 . 1 1 22 22 GLU H H 1 8.4664 0.03 . 1 . . . . . 22 GLU H . 26982 1 208 . 1 1 22 22 GLU HA H 1 4.2025 0.03 . 1 . . . . . 22 GLU HA . 26982 1 209 . 1 1 22 22 GLU HB2 H 1 1.9905 0.03 . 2 . . . . . 22 GLU HB2 . 26982 1 210 . 1 1 22 22 GLU HB3 H 1 2.1272 0.03 . 2 . . . . . 22 GLU HB3 . 26982 1 211 . 1 1 22 22 GLU HG3 H 1 2.2966 0.03 . 2 . . . . . 22 GLU HG3 . 26982 1 212 . 1 1 22 22 GLU C C 13 176.3058 0.2 . 1 . . . . . 22 GLU C . 26982 1 213 . 1 1 22 22 GLU CA C 13 56.9515 0.2 . 1 . . . . . 22 GLU CA . 26982 1 214 . 1 1 22 22 GLU CB C 13 29.3633 0.2 . 1 . . . . . 22 GLU CB . 26982 1 215 . 1 1 22 22 GLU CG C 13 36.3634 0.2 . 1 . . . . . 22 GLU CG . 26982 1 216 . 1 1 22 22 GLU N N 15 114.5746 0.1 . 1 . . . . . 22 GLU N . 26982 1 217 . 1 1 23 23 ALA H H 1 7.8522 0.03 . 1 . . . . . 23 ALA H . 26982 1 218 . 1 1 23 23 ALA HA H 1 4.5328 0.03 . 1 . . . . . 23 ALA HA . 26982 1 219 . 1 1 23 23 ALA HB1 H 1 1.7939 0.03 . 1 . . . . . 23 ALA HB1 . 26982 1 220 . 1 1 23 23 ALA HB2 H 1 1.7939 0.03 . 1 . . . . . 23 ALA HB1 . 26982 1 221 . 1 1 23 23 ALA HB3 H 1 1.7939 0.03 . 1 . . . . . 23 ALA HB1 . 26982 1 222 . 1 1 23 23 ALA C C 13 177.6627 0.2 . 1 . . . . . 23 ALA C . 26982 1 223 . 1 1 23 23 ALA CA C 13 52.3442 0.2 . 1 . . . . . 23 ALA CA . 26982 1 224 . 1 1 23 23 ALA CB C 13 19.8986 0.2 . 1 . . . . . 23 ALA CB . 26982 1 225 . 1 1 23 23 ALA N N 15 124.1606 0.1 . 1 . . . . . 23 ALA N . 26982 1 226 . 1 1 24 24 PHE H H 1 8.6857 0.03 . 1 . . . . . 24 PHE H . 26982 1 227 . 1 1 24 24 PHE HA H 1 4.6593 0.03 . 1 . . . . . 24 PHE HA . 26982 1 228 . 1 1 24 24 PHE HB3 H 1 3.1751 0.03 . 2 . . . . . 24 PHE HB3 . 26982 1 229 . 1 1 24 24 PHE HD1 H 1 7.2608 0.03 . 3 . . . . . 24 PHE HD1 . 26982 1 230 . 1 1 24 24 PHE HE1 H 1 7.3929 0.03 . 3 . . . . . 24 PHE HE1 . 26982 1 231 . 1 1 24 24 PHE C C 13 174.9112 0.2 . 1 . . . . . 24 PHE C . 26982 1 232 . 1 1 24 24 PHE CA C 13 57.4309 0.2 . 1 . . . . . 24 PHE CA . 26982 1 233 . 1 1 24 24 PHE CB C 13 39.5603 0.2 . 1 . . . . . 24 PHE CB . 26982 1 234 . 1 1 24 24 PHE CD1 C 13 132.0631 0.2 . 3 . . . . . 24 PHE CD1 . 26982 1 235 . 1 1 24 24 PHE CE1 C 13 131.5498 0.2 . 3 . . . . . 24 PHE CE1 . 26982 1 236 . 1 1 24 24 PHE N N 15 120.5575 0.1 . 1 . . . . . 24 PHE N . 26982 1 237 . 1 1 25 25 LYS H H 1 7.7945 0.03 . 1 . . . . . 25 LYS H . 26982 1 238 . 1 1 25 25 LYS HA H 1 4.9867 0.03 . 1 . . . . . 25 LYS HA . 26982 1 239 . 1 1 25 25 LYS HB2 H 1 1.4901 0.03 . 2 . . . . . 25 LYS HB2 . 26982 1 240 . 1 1 25 25 LYS HB3 H 1 1.5705 0.03 . 2 . . . . . 25 LYS HB3 . 26982 1 241 . 1 1 25 25 LYS HG3 H 1 1.0549 0.03 . 2 . . . . . 25 LYS HG3 . 26982 1 242 . 1 1 25 25 LYS HD3 H 1 1.6115 0.03 . 2 . . . . . 25 LYS HD3 . 26982 1 243 . 1 1 25 25 LYS HE2 H 1 2.8992 0.03 . 2 . . . . . 25 LYS HE2 . 26982 1 244 . 1 1 25 25 LYS HE3 H 1 2.9853 0.03 . 2 . . . . . 25 LYS HE3 . 26982 1 245 . 1 1 25 25 LYS C C 13 174.0491 0.2 . 1 . . . . . 25 LYS C . 26982 1 246 . 1 1 25 25 LYS CA C 13 54.0666 0.2 . 1 . . . . . 25 LYS CA . 26982 1 247 . 1 1 25 25 LYS CB C 13 35.6401 0.2 . 1 . . . . . 25 LYS CB . 26982 1 248 . 1 1 25 25 LYS CG C 13 23.6343 0.2 . 1 . . . . . 25 LYS CG . 26982 1 249 . 1 1 25 25 LYS CD C 13 29.4169 0.2 . 1 . . . . . 25 LYS CD . 26982 1 250 . 1 1 25 25 LYS CE C 13 42.1598 0.2 . 1 . . . . . 25 LYS CE . 26982 1 251 . 1 1 25 25 LYS N N 15 118.9243 0.1 . 1 . . . . . 25 LYS N . 26982 1 252 . 1 1 26 26 CYS H H 1 8.7629 0.03 . 1 . . . . . 26 CYS H . 26982 1 253 . 1 1 26 26 CYS HA H 1 4.2381 0.03 . 1 . . . . . 26 CYS HA . 26982 1 254 . 1 1 26 26 CYS HB2 H 1 3.1459 0.03 . 2 . . . . . 26 CYS HB2 . 26982 1 255 . 1 1 26 26 CYS HB3 H 1 3.3247 0.03 . 2 . . . . . 26 CYS HB3 . 26982 1 256 . 1 1 26 26 CYS C C 13 178.1769 0.2 . 1 . . . . . 26 CYS C . 26982 1 257 . 1 1 26 26 CYS CA C 13 59.3591 0.2 . 1 . . . . . 26 CYS CA . 26982 1 258 . 1 1 26 26 CYS CB C 13 31.1885 0.2 . 1 . . . . . 26 CYS CB . 26982 1 259 . 1 1 26 26 CYS N N 15 124.6677 0.1 . 1 . . . . . 26 CYS N . 26982 1 260 . 1 1 27 27 SER H H 1 9.0442 0.03 . 1 . . . . . 27 SER H . 26982 1 261 . 1 1 27 27 SER HA H 1 4.1416 0.03 . 1 . . . . . 27 SER HA . 26982 1 262 . 1 1 27 27 SER HB3 H 1 3.8252 0.03 . 2 . . . . . 27 SER HB3 . 26982 1 263 . 1 1 27 27 SER C C 13 173.8427 0.2 . 1 . . . . . 27 SER C . 26982 1 264 . 1 1 27 27 SER CA C 13 61.4442 0.2 . 1 . . . . . 27 SER CA . 26982 1 265 . 1 1 27 27 SER CB C 13 64.0109 0.2 . 1 . . . . . 27 SER CB . 26982 1 266 . 1 1 27 27 SER N N 15 125.8789 0.1 . 1 . . . . . 27 SER N . 26982 1 267 . 1 1 28 28 ILE H H 1 9.0387 0.03 . 1 . . . . . 28 ILE H . 26982 1 268 . 1 1 28 28 ILE HA H 1 4.0070 0.03 . 1 . . . . . 28 ILE HA . 26982 1 269 . 1 1 28 28 ILE HB H 1 2.2211 0.03 . 1 . . . . . 28 ILE HB . 26982 1 270 . 1 1 28 28 ILE HG12 H 1 0.2442 0.03 . 2 . . . . . 28 ILE HG12 . 26982 1 271 . 1 1 28 28 ILE HG13 H 1 0.5561 0.03 . 2 . . . . . 28 ILE HG13 . 26982 1 272 . 1 1 28 28 ILE HG21 H 1 0.6623 0.03 . 1 . . . . . 28 ILE HG21 . 26982 1 273 . 1 1 28 28 ILE HG22 H 1 0.6623 0.03 . 1 . . . . . 28 ILE HG21 . 26982 1 274 . 1 1 28 28 ILE HG23 H 1 0.6623 0.03 . 1 . . . . . 28 ILE HG21 . 26982 1 275 . 1 1 28 28 ILE HD11 H 1 0.0802 0.03 . 1 . . . . . 28 ILE HD11 . 26982 1 276 . 1 1 28 28 ILE HD12 H 1 0.0802 0.03 . 1 . . . . . 28 ILE HD11 . 26982 1 277 . 1 1 28 28 ILE HD13 H 1 0.0802 0.03 . 1 . . . . . 28 ILE HD11 . 26982 1 278 . 1 1 28 28 ILE C C 13 177.8709 0.2 . 1 . . . . . 28 ILE C . 26982 1 279 . 1 1 28 28 ILE CA C 13 60.6928 0.2 . 1 . . . . . 28 ILE CA . 26982 1 280 . 1 1 28 28 ILE CB C 13 36.0911 0.2 . 1 . . . . . 28 ILE CB . 26982 1 281 . 1 1 28 28 ILE CG1 C 13 26.3768 0.2 . 1 . . . . . 28 ILE CG1 . 26982 1 282 . 1 1 28 28 ILE CG2 C 13 16.9308 0.2 . 1 . . . . . 28 ILE CG2 . 26982 1 283 . 1 1 28 28 ILE CD1 C 13 8.4729 0.2 . 1 . . . . . 28 ILE CD1 . 26982 1 284 . 1 1 28 28 ILE N N 15 122.7982 0.1 . 1 . . . . . 28 ILE N . 26982 1 285 . 1 1 29 29 CYS H H 1 8.2561 0.03 . 1 . . . . . 29 CYS H . 26982 1 286 . 1 1 29 29 CYS HA H 1 4.7940 0.03 . 1 . . . . . 29 CYS HA . 26982 1 287 . 1 1 29 29 CYS HB2 H 1 2.6374 0.03 . 2 . . . . . 29 CYS HB2 . 26982 1 288 . 1 1 29 29 CYS HB3 H 1 3.2511 0.03 . 2 . . . . . 29 CYS HB3 . 26982 1 289 . 1 1 29 29 CYS C C 13 176.3999 0.2 . 1 . . . . . 29 CYS C . 26982 1 290 . 1 1 29 29 CYS CA C 13 59.8481 0.2 . 1 . . . . . 29 CYS CA . 26982 1 291 . 1 1 29 29 CYS CB C 13 31.6334 0.2 . 1 . . . . . 29 CYS CB . 26982 1 292 . 1 1 29 29 CYS N N 15 120.0024 0.1 . 1 . . . . . 29 CYS N . 26982 1 293 . 1 1 30 30 ASP H H 1 7.7553 0.03 . 1 . . . . . 30 ASP H . 26982 1 294 . 1 1 30 30 ASP HA H 1 4.5586 0.03 . 1 . . . . . 30 ASP HA . 26982 1 295 . 1 1 30 30 ASP HB2 H 1 2.6579 0.03 . 2 . . . . . 30 ASP HB2 . 26982 1 296 . 1 1 30 30 ASP C C 13 174.9291 0.2 . 1 . . . . . 30 ASP C . 26982 1 297 . 1 1 30 30 ASP CA C 13 56.7417 0.2 . 1 . . . . . 30 ASP CA . 26982 1 298 . 1 1 30 30 ASP CB C 13 42.2015 0.2 . 1 . . . . . 30 ASP CB . 26982 1 299 . 1 1 30 30 ASP N N 15 119.8905 0.1 . 1 . . . . . 30 ASP N . 26982 1 300 . 1 1 31 31 VAL H H 1 8.1274 0.03 . 1 . . . . . 31 VAL H . 26982 1 301 . 1 1 31 31 VAL HA H 1 4.0318 0.03 . 1 . . . . . 31 VAL HA . 26982 1 302 . 1 1 31 31 VAL HB H 1 2.2101 0.03 . 1 . . . . . 31 VAL HB . 26982 1 303 . 1 1 31 31 VAL HG11 H 1 1.1443 0.03 . 2 . . . . . 31 VAL HG11 . 26982 1 304 . 1 1 31 31 VAL HG12 H 1 1.1443 0.03 . 2 . . . . . 31 VAL HG11 . 26982 1 305 . 1 1 31 31 VAL HG13 H 1 1.1443 0.03 . 2 . . . . . 31 VAL HG11 . 26982 1 306 . 1 1 31 31 VAL HG21 H 1 1.1053 0.03 . 2 . . . . . 31 VAL HG21 . 26982 1 307 . 1 1 31 31 VAL HG22 H 1 1.1053 0.03 . 2 . . . . . 31 VAL HG21 . 26982 1 308 . 1 1 31 31 VAL HG23 H 1 1.1053 0.03 . 2 . . . . . 31 VAL HG21 . 26982 1 309 . 1 1 31 31 VAL C C 13 177.8651 0.2 . 1 . . . . . 31 VAL C . 26982 1 310 . 1 1 31 31 VAL CA C 13 64.2290 0.2 . 1 . . . . . 31 VAL CA . 26982 1 311 . 1 1 31 31 VAL CB C 13 31.9810 0.2 . 1 . . . . . 31 VAL CB . 26982 1 312 . 1 1 31 31 VAL CG1 C 13 24.1099 0.2 . 2 . . . . . 31 VAL CG1 . 26982 1 313 . 1 1 31 31 VAL CG2 C 13 21.7700 0.2 . 2 . . . . . 31 VAL CG2 . 26982 1 314 . 1 1 31 31 VAL N N 15 121.9539 0.1 . 1 . . . . . 31 VAL N . 26982 1 315 . 1 1 32 32 ARG H H 1 8.7428 0.03 . 1 . . . . . 32 ARG H . 26982 1 316 . 1 1 32 32 ARG HA H 1 4.3183 0.03 . 1 . . . . . 32 ARG HA . 26982 1 317 . 1 1 32 32 ARG HB3 H 1 1.8476 0.03 . 2 . . . . . 32 ARG HB3 . 26982 1 318 . 1 1 32 32 ARG HG2 H 1 1.7624 0.03 . 2 . . . . . 32 ARG HG2 . 26982 1 319 . 1 1 32 32 ARG HG3 H 1 1.8391 0.03 . 2 . . . . . 32 ARG HG3 . 26982 1 320 . 1 1 32 32 ARG HD3 H 1 3.2692 0.03 . 2 . . . . . 32 ARG HD3 . 26982 1 321 . 1 1 32 32 ARG C C 13 175.8447 0.2 . 1 . . . . . 32 ARG C . 26982 1 322 . 1 1 32 32 ARG CA C 13 57.2117 0.2 . 1 . . . . . 32 ARG CA . 26982 1 323 . 1 1 32 32 ARG CB C 13 30.8075 0.2 . 1 . . . . . 32 ARG CB . 26982 1 324 . 1 1 32 32 ARG CG C 13 28.0134 0.2 . 1 . . . . . 32 ARG CG . 26982 1 325 . 1 1 32 32 ARG CD C 13 43.4224 0.2 . 1 . . . . . 32 ARG CD . 26982 1 326 . 1 1 32 32 ARG N N 15 128.7701 0.1 . 1 . . . . . 32 ARG N . 26982 1 327 . 1 1 33 33 LYS H H 1 7.7901 0.03 . 1 . . . . . 33 LYS H . 26982 1 328 . 1 1 33 33 LYS HA H 1 3.4000 0.03 . 1 . . . . . 33 LYS HA . 26982 1 329 . 1 1 33 33 LYS HB2 H 1 0.5156 0.03 . 2 . . . . . 33 LYS HB2 . 26982 1 330 . 1 1 33 33 LYS HB3 H 1 0.9815 0.03 . 2 . . . . . 33 LYS HB3 . 26982 1 331 . 1 1 33 33 LYS HG2 H 1 -0.2058 0.03 . 2 . . . . . 33 LYS HG2 . 26982 1 332 . 1 1 33 33 LYS HG3 H 1 0.6654 0.03 . 2 . . . . . 33 LYS HG3 . 26982 1 333 . 1 1 33 33 LYS HD2 H 1 0.3972 0.03 . 2 . . . . . 33 LYS HD2 . 26982 1 334 . 1 1 33 33 LYS HD3 H 1 0.8029 0.03 . 2 . . . . . 33 LYS HD3 . 26982 1 335 . 1 1 33 33 LYS HE2 H 1 2.1630 0.03 . 2 . . . . . 33 LYS HE2 . 26982 1 336 . 1 1 33 33 LYS HE3 H 1 2.2792 0.03 . 2 . . . . . 33 LYS HE3 . 26982 1 337 . 1 1 33 33 LYS C C 13 177.0381 0.2 . 1 . . . . . 33 LYS C . 26982 1 338 . 1 1 33 33 LYS CA C 13 57.6804 0.2 . 1 . . . . . 33 LYS CA . 26982 1 339 . 1 1 33 33 LYS CB C 13 33.0069 0.2 . 1 . . . . . 33 LYS CB . 26982 1 340 . 1 1 33 33 LYS CG C 13 23.8385 0.2 . 1 . . . . . 33 LYS CG . 26982 1 341 . 1 1 33 33 LYS CD C 13 29.3857 0.2 . 1 . . . . . 33 LYS CD . 26982 1 342 . 1 1 33 33 LYS CE C 13 41.7571 0.2 . 1 . . . . . 33 LYS CE . 26982 1 343 . 1 1 33 33 LYS N N 15 124.7217 0.1 . 1 . . . . . 33 LYS N . 26982 1 344 . 1 1 34 34 GLY H H 1 8.3454 0.03 . 1 . . . . . 34 GLY H . 26982 1 345 . 1 1 34 34 GLY HA2 H 1 3.8940 0.03 . 2 . . . . . 34 GLY HA2 . 26982 1 346 . 1 1 34 34 GLY HA3 H 1 3.9663 0.03 . 2 . . . . . 34 GLY HA3 . 26982 1 347 . 1 1 34 34 GLY C C 13 174.2375 0.2 . 1 . . . . . 34 GLY C . 26982 1 348 . 1 1 34 34 GLY CA C 13 45.3372 0.2 . 1 . . . . . 34 GLY CA . 26982 1 349 . 1 1 34 34 GLY N N 15 112.9691 0.1 . 1 . . . . . 34 GLY N . 26982 1 350 . 1 1 35 35 THR H H 1 7.9484 0.03 . 1 . . . . . 35 THR H . 26982 1 351 . 1 1 35 35 THR HA H 1 4.3804 0.03 . 1 . . . . . 35 THR HA . 26982 1 352 . 1 1 35 35 THR HB H 1 4.2314 0.03 . 1 . . . . . 35 THR HB . 26982 1 353 . 1 1 35 35 THR HG21 H 1 1.1963 0.03 . 1 . . . . . 35 THR HG21 . 26982 1 354 . 1 1 35 35 THR HG22 H 1 1.1963 0.03 . 1 . . . . . 35 THR HG21 . 26982 1 355 . 1 1 35 35 THR HG23 H 1 1.1963 0.03 . 1 . . . . . 35 THR HG21 . 26982 1 356 . 1 1 35 35 THR C C 13 174.3748 0.2 . 1 . . . . . 35 THR C . 26982 1 357 . 1 1 35 35 THR CA C 13 62.1453 0.2 . 1 . . . . . 35 THR CA . 26982 1 358 . 1 1 35 35 THR CB C 13 70.0135 0.2 . 1 . . . . . 35 THR CB . 26982 1 359 . 1 1 35 35 THR CG2 C 13 21.5256 0.2 . 1 . . . . . 35 THR CG2 . 26982 1 360 . 1 1 35 35 THR N N 15 114.1276 0.1 . 1 . . . . . 35 THR N . 26982 1 361 . 1 1 36 36 SER HA H 1 4.5775 0.03 . 1 . . . . . 36 SER HA . 26982 1 362 . 1 1 36 36 SER HB3 H 1 3.8978 0.03 . 2 . . . . . 36 SER HB3 . 26982 1 363 . 1 1 36 36 SER C C 13 173.7776 0.2 . 1 . . . . . 36 SER C . 26982 1 364 . 1 1 36 36 SER CA C 13 58.2924 0.2 . 1 . . . . . 36 SER CA . 26982 1 365 . 1 1 36 36 SER CB C 13 64.2119 0.2 . 1 . . . . . 36 SER CB . 26982 1 366 . 1 1 37 37 THR H H 1 7.8300 0.03 . 1 . . . . . 37 THR H . 26982 1 367 . 1 1 37 37 THR HA H 1 4.1723 0.03 . 1 . . . . . 37 THR HA . 26982 1 368 . 1 1 37 37 THR HB H 1 4.2532 0.03 . 1 . . . . . 37 THR HB . 26982 1 369 . 1 1 37 37 THR HG21 H 1 1.1659 0.03 . 1 . . . . . 37 THR HG21 . 26982 1 370 . 1 1 37 37 THR HG22 H 1 1.1659 0.03 . 1 . . . . . 37 THR HG21 . 26982 1 371 . 1 1 37 37 THR HG23 H 1 1.1659 0.03 . 1 . . . . . 37 THR HG21 . 26982 1 372 . 1 1 37 37 THR C C 13 179.1354 0.2 . 1 . . . . . 37 THR C . 26982 1 373 . 1 1 37 37 THR CA C 13 63.2129 0.2 . 1 . . . . . 37 THR CA . 26982 1 374 . 1 1 37 37 THR CB C 13 70.7042 0.2 . 1 . . . . . 37 THR CB . 26982 1 375 . 1 1 37 37 THR CG2 C 13 22.1038 0.2 . 1 . . . . . 37 THR CG2 . 26982 1 376 . 1 1 37 37 THR N N 15 120.6184 0.1 . 1 . . . . . 37 THR N . 26982 1 stop_ save_