data_51951 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51951 _Entry.Title ; Chemical Shift Assignments for ZNF750-Z* ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-05-03 _Entry.Accession_date 2023-05-03 _Entry.Last_release_date 2023-05-05 _Entry.Original_release_date 2023-05-05 _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 _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 ; ZNF750-Z* is a zinc finger designated by UniProt as degenerate. We have shown that it folds in the presence of Zn2*, and have determined its structure. ; _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 Antonio Rua . J. . 0009-0001-5823-9706 51951 2 Andrei Alexandrescu . T. . 0000-0002-8425-9276 51951 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51951 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 91 51951 '15N chemical shifts' 30 51951 '1H chemical shifts' 186 51951 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 3 . . 2023-10-05 2023-05-03 update BMRB 'update entry citation' 51951 2 . . 2023-08-29 2023-05-03 update author 'update entry citation' 51951 1 . . 2023-08-16 2023-05-03 original author 'original release' 51951 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51951 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37655311 _Citation.DOI 10.1016/j.yjsbx.2023.100093 _Citation.Full_citation . _Citation.Title ; NMR structure verifies the eponymous zinc finger domain of transcription factor ZNF750 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Struc. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 8 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 100093 _Citation.Page_last 100093 _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 Antonio Rua . J. . . 51951 1 2 Richard Whitehead . D. . . 51951 1 3 Andrei Alexandrescu . T. . . 51951 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'zinc finger, degenerate, CCHH, CCHC, NMR, ZN2+-binding, nuclear transcription factor, psoriasis, cancer, tumor suppressor' 51951 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51951 _Assembly.ID 1 _Assembly.Name 'ZNF750 and zinc' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 3284.85 _Assembly.Enzyme_commission_number . _Assembly.Details 'ZNF750 binding a zinc ion' _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 ZNF750 1 $entity_1 . . yes native no no . . . 51951 1 2 'zinc ion' 2 $entity_ZN . . no native no no . . . 51951 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 3 3 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 51951 1 2 coordination single . 1 . 1 CYS 6 6 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 51951 1 3 coordination single . 1 . 1 CYS 25 25 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 51951 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes UniProt Q32MQ0 . . na . 'parent protein for domain fragment' 'Sequence and function data' 51951 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51951 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; YKCFQCPFTCNEKSHLFNHM KYGLCKN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 27 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'other bound and free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 ; In the numbering scheme of the full-length protein residues are +24. So residue Y1 is Y25 in the full-length protein One cys is SH (C10), the other three are -S***Zn2+ (C3, C6, C25). ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'nuclear transcription factor' 51951 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . TYR . 51951 1 2 . LYS . 51951 1 3 . CYS . 51951 1 4 . PHE . 51951 1 5 . GLN . 51951 1 6 . CYS . 51951 1 7 . PRO . 51951 1 8 . PHE . 51951 1 9 . THR . 51951 1 10 . CYS . 51951 1 11 . ASN . 51951 1 12 . GLU . 51951 1 13 . LYS . 51951 1 14 . SER . 51951 1 15 . HIS . 51951 1 16 . LEU . 51951 1 17 . PHE . 51951 1 18 . ASN . 51951 1 19 . HIS . 51951 1 20 . MET . 51951 1 21 . LYS . 51951 1 22 . TYR . 51951 1 23 . GLY . 51951 1 24 . LEU . 51951 1 25 . CYS . 51951 1 26 . LYS . 51951 1 27 . ASN . 51951 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 . TYR 1 1 51951 1 . LYS 2 2 51951 1 . CYS 3 3 51951 1 . PHE 4 4 51951 1 . GLN 5 5 51951 1 . CYS 6 6 51951 1 . PRO 7 7 51951 1 . PHE 8 8 51951 1 . THR 9 9 51951 1 . CYS 10 10 51951 1 . ASN 11 11 51951 1 . GLU 12 12 51951 1 . LYS 13 13 51951 1 . SER 14 14 51951 1 . HIS 15 15 51951 1 . LEU 16 16 51951 1 . PHE 17 17 51951 1 . ASN 18 18 51951 1 . HIS 19 19 51951 1 . MET 20 20 51951 1 . LYS 21 21 51951 1 . TYR 22 22 51951 1 . GLY 23 23 51951 1 . LEU 24 24 51951 1 . CYS 25 25 51951 1 . LYS 26 26 51951 1 . ASN 27 27 51951 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 51951 _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 51951 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 51951 2 ZN 'Three letter code' 51951 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 51951 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51951 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51951 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51951 _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 . 'chemical synthesis' . . . . . . . . . . . . . . . 'the Z* domain fragment is residues 25-51 of ZNF750 and was prepared by solid-phase peptide synthesis' 51951 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 51951 _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 51951 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 51951 ZN [Zn++] SMILES CACTVS 3.341 51951 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 51951 ZN [Zn+2] SMILES ACDLabs 10.04 51951 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 51951 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 51951 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 51951 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 51951 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 . 51951 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51951 _Sample.ID 1 _Sample.Name ZNF750 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ZNF750 'natural abundance' . . 1 $entity_1 . . 1.9 . . mM . . . . 51951 1 2 zinc 'natural abundance' . . 2 $entity_ZN . . 2.9 . . mM . . . . 51951 1 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 51951 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51951 _Sample.ID 2 _Sample.Name 'ZNF750 in D2O' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ZNF750 'natural abundance' . . 1 $entity_1 . . 3.8 . . mM . . . . 51951 2 2 ZnCl2 'natural abundance' . . 2 $entity_ZN . . 4.8 . . mM . . . . 51951 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51951 2 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 51951 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'ZNF750 NMR Conditions' _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' 1.9 . mM 51951 1 pH 5.9 . pH 51951 1 pressure 1 . atm 51951 1 temperature 288 . K 51951 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 51951 _Sample_condition_list.ID 2 _Sample_condition_list.Name 'ZNF750 in D2O' _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' 3.8 . mM 51951 2 pH 5.9 . pH 51951 2 pressure 1 . atm 51951 2 temperature 288 . K 51951 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51951 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 2.5.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51951 1 'peak picking' . 51951 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51951 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'NMR data collection' . 51951 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51951 _Software.ID 3 _Software.Type . _Software.Name Molmol _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure visualization' . 51951 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51951 _Software.ID 4 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure solution' . 51951 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 51951 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AVANCE 600' _NMR_spectrometer.Details 'Equipped with a TCI cryogenic probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '600 MHz' save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51951 _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 '2D 1H-1H NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51951 1 2 '2D 1H-1H TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51951 1 3 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51951 1 4 '2D 1H-13C HSQC' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51951 1 5 '2D DQF-COSY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51951 1 6 '2D 1H-1H COSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51951 1 7 '2D 1H-1H NOESY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51951 1 8 '2D 1H-1H TOCSY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51951 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 51951 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 carbon' . . . . ppm 0 internal direct 1 . . . . . 51951 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51951 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 51951 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 51951 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'ZNF750-1 Assignments D2O Spectra' _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 5 '2D DQF-COSY' . . . 51951 1 6 '2D 1H-1H COSY' . . . 51951 1 7 '2D 1H-1H NOESY' . . . 51951 1 8 '2D 1H-1H TOCSY' . . . 51951 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51951 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 TYR H H 1 8.5296 . . 1 . . . . . 1 TYR H . 51951 1 2 . 1 . 1 1 1 TYR HA H 1 4.5711 . . 1 . . . . . 1 TYR HA . 51951 1 3 . 1 . 1 1 1 TYR HB2 H 1 2.8976 . . 1 . . . . . 1 TYR HB1 . 51951 1 4 . 1 . 1 1 1 TYR HB3 H 1 2.9537 . . 1 . . . . . 1 TYR HB2 . 51951 1 5 . 1 . 1 1 1 TYR HD1 H 1 6.9414 . . 3 . . . . . 1 TYR HD# . 51951 1 6 . 1 . 1 1 1 TYR HD2 H 1 6.9414 . . 3 . . . . . 1 TYR HD# . 51951 1 7 . 1 . 1 1 1 TYR HE1 H 1 6.8166 . . 3 . . . . . 1 TYR HE# . 51951 1 8 . 1 . 1 1 1 TYR HE2 H 1 6.8166 . . 3 . . . . . 1 TYR HE# . 51951 1 9 . 1 . 1 1 1 TYR CA C 13 57.9478 . . 1 . . . . . 1 TYR CA . 51951 1 10 . 1 . 1 1 1 TYR CB C 13 38.6229 . . 1 . . . . . 1 TYR CB . 51951 1 11 . 1 . 1 1 1 TYR CD2 C 13 133.3672 . . 3 . . . . . 1 TYR CD2 . 51951 1 12 . 1 . 1 1 1 TYR CE2 C 13 118.1761 . . 3 . . . . . 1 TYR CE2 . 51951 1 13 . 1 . 1 1 1 TYR N N 15 124.7408 . . 1 . . . . . 1 TYR N . 51951 1 14 . 1 . 1 2 2 LYS H H 1 8.5403 . . 1 . . . . . 2 LYS HN . 51951 1 15 . 1 . 1 2 2 LYS HA H 1 5.0653 . . 1 . . . . . 2 LYS HA . 51951 1 16 . 1 . 1 2 2 LYS HB2 H 1 1.7450 . . 2 . . . . . 2 LYS HB# . 51951 1 17 . 1 . 1 2 2 LYS HB3 H 1 1.7450 . . 2 . . . . . 2 LYS HB# . 51951 1 18 . 1 . 1 2 2 LYS HG2 H 1 1.2641 . . 2 . . . . . 2 LYS HG# . 51951 1 19 . 1 . 1 2 2 LYS HG3 H 1 1.2641 . . 2 . . . . . 2 LYS HG# . 51951 1 20 . 1 . 1 2 2 LYS HD2 H 1 1.5685 . . 2 . . . . . 2 LYS HD1 . 51951 1 21 . 1 . 1 2 2 LYS HD3 H 1 1.6611 . . 2 . . . . . 2 LYS HD2 . 51951 1 22 . 1 . 1 2 2 LYS CA C 13 54.4432 . . 1 . . . . . 2 LYS CA . 51951 1 23 . 1 . 1 2 2 LYS CB C 13 35.6886 . . 1 . . . . . 2 LYS CB . 51951 1 24 . 1 . 1 2 2 LYS CG C 13 24.7270 . . 1 . . . . . 2 LYS CG . 51951 1 25 . 1 . 1 2 2 LYS CD C 13 29.1279 . . 1 . . . . . 2 LYS CD . 51951 1 26 . 1 . 1 2 2 LYS N N 15 129.1800 . . 1 . . . . . 2 LYS N . 51951 1 27 . 1 . 1 3 3 CYS H H 1 8.5455 . . 1 . . . . . 3 CYS HN . 51951 1 28 . 1 . 1 3 3 CYS HA H 1 4.3532 . . 1 . . . . . 3 CYS HA . 51951 1 29 . 1 . 1 3 3 CYS HB2 H 1 2.6788 . . 1 . . . . . 3 CYS HB1 . 51951 1 30 . 1 . 1 3 3 CYS HB3 H 1 3.4832 . . 1 . . . . . 3 CYS HB2 . 51951 1 31 . 1 . 1 3 3 CYS CA C 13 55.6226 . . 1 . . . . . 3 CYS CA . 51951 1 32 . 1 . 1 3 3 CYS CB C 13 30.6869 . . 1 . . . . . 3 CYS CB . 51951 1 33 . 1 . 1 3 3 CYS N N 15 127.0304 . . 1 . . . . . 3 CYS N . 51951 1 34 . 1 . 1 4 4 PHE H H 1 8.3605 . . 1 . . . . . 4 PHE HN . 51951 1 35 . 1 . 1 4 4 PHE HA H 1 4.7192 . . 1 . . . . . 4 PHE HA . 51951 1 36 . 1 . 1 4 4 PHE HB2 H 1 3.3267 . . 2 . . . . . 4 PHE HB# . 51951 1 37 . 1 . 1 4 4 PHE HB3 H 1 3.3267 . . 2 . . . . . 4 PHE HB# . 51951 1 38 . 1 . 1 4 4 PHE HD1 H 1 7.4460 . . 3 . . . . . 4 PHE HD# . 51951 1 39 . 1 . 1 4 4 PHE HD2 H 1 7.4460 . . 3 . . . . . 4 PHE HD# . 51951 1 40 . 1 . 1 4 4 PHE HE1 H 1 7.3616 . . 3 . . . . . 4 PHE HE# . 51951 1 41 . 1 . 1 4 4 PHE HE2 H 1 7.3616 . . 3 . . . . . 4 PHE HE# . 51951 1 42 . 1 . 1 4 4 PHE HZ H 1 7.2797 . . 1 . . . . . 4 PHE HZ . 51951 1 43 . 1 . 1 4 4 PHE CA C 13 59.1061 . . 1 . . . . . 4 PHE CA . 51951 1 44 . 1 . 1 4 4 PHE CB C 13 39.1170 . . 1 . . . . . 4 PHE CB . 51951 1 45 . 1 . 1 4 4 PHE CD2 C 13 131.9633 . . 3 . . . . . 4 PHE CD2 . 51951 1 46 . 1 . 1 4 4 PHE CE1 C 13 131.6765 . . 3 . . . . . 4 PHE CE1 . 51951 1 47 . 1 . 1 4 4 PHE CZ C 13 130.1897 . . 1 . . . . . 4 PHE CZ . 51951 1 48 . 1 . 1 4 4 PHE N N 15 125.0221 . . 1 . . . . . 4 PHE N . 51951 1 49 . 1 . 1 5 5 GLN H H 1 9.7156 . . 1 . . . . . 5 GLN HN . 51951 1 50 . 1 . 1 5 5 GLN HA H 1 4.6061 . . 1 . . . . . 5 GLN HA . 51951 1 51 . 1 . 1 5 5 GLN HB2 H 1 2.0839 . . 2 . . . . . 5 GLN HB# . 51951 1 52 . 1 . 1 5 5 GLN HB3 H 1 2.0839 . . 2 . . . . . 5 GLN HB# . 51951 1 53 . 1 . 1 5 5 GLN HG2 H 1 2.0533 . . 2 . . . . . 5 GLN HG1 . 51951 1 54 . 1 . 1 5 5 GLN HG3 H 1 2.2428 . . 2 . . . . . 5 GLN HG2 . 51951 1 55 . 1 . 1 5 5 GLN HE21 H 1 7.5056 . . 2 . . . . . 5 GLN HE21 . 51951 1 56 . 1 . 1 5 5 GLN HE22 H 1 6.9118 . . 2 . . . . . 5 GLN HE22 . 51951 1 57 . 1 . 1 5 5 GLN CA C 13 55.6307 . . 1 . . . . . 5 GLN CA . 51951 1 58 . 1 . 1 5 5 GLN CB C 13 31.1253 . . 1 . . . . . 5 GLN CB . 51951 1 59 . 1 . 1 5 5 GLN CG C 13 34.0612 . . 1 . . . . . 5 GLN CG . 51951 1 60 . 1 . 1 5 5 GLN N N 15 121.3173 . . 1 . . . . . 5 GLN N . 51951 1 61 . 1 . 1 5 5 GLN NE2 N 15 111.9214 . . 1 . . . . . 5 GLN NE2 . 51951 1 62 . 1 . 1 6 6 CYS H H 1 8.0596 . . 1 . . . . . 6 CYS HN . 51951 1 63 . 1 . 1 6 6 CYS HA H 1 5.1235 . . 1 . . . . . 6 CYS HA . 51951 1 64 . 1 . 1 6 6 CYS HB2 H 1 3.4400 . . 1 . . . . . 6 CYS HB1 . 51951 1 65 . 1 . 1 6 6 CYS HB3 H 1 2.8419 . . 1 . . . . . 6 CYS HB2 . 51951 1 66 . 1 . 1 6 6 CYS CA C 13 58.3876 . . 1 . . . . . 6 CYS CA . 51951 1 67 . 1 . 1 6 6 CYS CB C 13 30.6221 . . 1 . . . . . 6 CYS CB . 51951 1 68 . 1 . 1 6 6 CYS N N 15 124.3626 . . 1 . . . . . 6 CYS N . 51951 1 69 . 1 . 1 7 7 PRO HA H 1 4.5533 . . 1 . . . . . 7 PRO HA . 51951 1 70 . 1 . 1 7 7 PRO HB2 H 1 2.4156 . . 2 . . . . . 7 PRO HB# . 51951 1 71 . 1 . 1 7 7 PRO HB3 H 1 2.4156 . . 2 . . . . . 7 PRO HB# . 51951 1 72 . 1 . 1 7 7 PRO HG2 H 1 1.9645 . . 2 . . . . . 7 PRO HG1 . 51951 1 73 . 1 . 1 7 7 PRO HG3 H 1 2.0442 . . 2 . . . . . 7 PRO HG2 . 51951 1 74 . 1 . 1 7 7 PRO HD2 H 1 3.6302 . . 2 . . . . . 7 PRO HD1 . 51951 1 75 . 1 . 1 7 7 PRO HD3 H 1 3.8659 . . 2 . . . . . 7 PRO HD2 . 51951 1 76 . 1 . 1 7 7 PRO CA C 13 64.1498 . . 1 . . . . . 7 PRO CA . 51951 1 77 . 1 . 1 7 7 PRO CB C 13 32.3783 . . 1 . . . . . 7 PRO CB . 51951 1 78 . 1 . 1 7 7 PRO CG C 13 27.5775 . . 1 . . . . . 7 PRO CG . 51951 1 79 . 1 . 1 7 7 PRO CD C 13 51.0382 . . 1 . . . . . 7 PRO CD . 51951 1 80 . 1 . 1 8 8 PHE H H 1 9.1422 . . 1 . . . . . 8 PHE HN . 51951 1 81 . 1 . 1 8 8 PHE HA H 1 4.1654 . . 1 . . . . . 8 PHE HA . 51951 1 82 . 1 . 1 8 8 PHE HB2 H 1 2.8726 . . 1 . . . . . 8 PHE HB1 . 51951 1 83 . 1 . 1 8 8 PHE HB3 H 1 2.2880 . . 1 . . . . . 8 PHE HB2 . 51951 1 84 . 1 . 1 8 8 PHE HD1 H 1 6.7077 . . 3 . . . . . 8 PHE HD# . 51951 1 85 . 1 . 1 8 8 PHE HD2 H 1 6.7077 . . 3 . . . . . 8 PHE HD# . 51951 1 86 . 1 . 1 8 8 PHE HE1 H 1 7.1808 . . 3 . . . . . 8 PHE HE# . 51951 1 87 . 1 . 1 8 8 PHE HE2 H 1 7.1808 . . 3 . . . . . 8 PHE HE# . 51951 1 88 . 1 . 1 8 8 PHE HZ H 1 7.0137 . . 1 . . . . . 8 PHE HZ . 51951 1 89 . 1 . 1 8 8 PHE CA C 13 51.8304 . . 1 . . . . . 8 PHE CA . 51951 1 90 . 1 . 1 8 8 PHE CB C 13 40.4513 . . 1 . . . . . 8 PHE CB . 51951 1 91 . 1 . 1 8 8 PHE CD2 C 13 131.4565 . . 3 . . . . . 8 PHE CD2 . 51951 1 92 . 1 . 1 8 8 PHE CE2 C 13 130.6457 . . 3 . . . . . 8 PHE CE2 . 51951 1 93 . 1 . 1 8 8 PHE CZ C 13 129.5816 . . 1 . . . . . 8 PHE CZ . 51951 1 94 . 1 . 1 8 8 PHE N N 15 124.5137 . . 1 . . . . . 8 PHE N . 51951 1 95 . 1 . 1 9 9 THR H H 1 7.1292 . . 1 . . . . . 9 THR HN . 51951 1 96 . 1 . 1 9 9 THR HA H 1 4.0183 . . 1 . . . . . 9 THR HA . 51951 1 97 . 1 . 1 9 9 THR HB H 1 4.0711 . . 1 . . . . . 9 THR HB . 51951 1 98 . 1 . 1 9 9 THR HG21 H 1 1.1302 . . 1 . . . . . 9 THR HG2# . 51951 1 99 . 1 . 1 9 9 THR HG22 H 1 1.1302 . . 1 . . . . . 9 THR HG2# . 51951 1 100 . 1 . 1 9 9 THR HG23 H 1 1.1302 . . 1 . . . . . 9 THR HG2# . 51951 1 101 . 1 . 1 9 9 THR CA C 13 61.8115 . . 1 . . . . . 9 THR CA . 51951 1 102 . 1 . 1 9 9 THR CB C 13 72.5191 . . 1 . . . . . 9 THR CB . 51951 1 103 . 1 . 1 9 9 THR CG2 C 13 21.0815 . . 1 . . . . . 9 THR CG2 . 51951 1 104 . 1 . 1 9 9 THR N N 15 107.0627 . . 1 . . . . . 9 THR N . 51951 1 105 . 1 . 1 10 10 CYS H H 1 8.4434 . . 1 . . . . . 10 CYS HN . 51951 1 106 . 1 . 1 10 10 CYS HA H 1 4.7902 . . 1 . . . . . 10 CYS HA . 51951 1 107 . 1 . 1 10 10 CYS HB2 H 1 3.3473 . . 1 . . . . . 10 CYS HB1 . 51951 1 108 . 1 . 1 10 10 CYS HB3 H 1 2.8076 . . 1 . . . . . 10 CYS HB2 . 51951 1 109 . 1 . 1 10 10 CYS CA C 13 55.0420 . . 1 . . . . . 10 CYS CA . 51951 1 110 . 1 . 1 10 10 CYS CB C 13 30.7250 . . 1 . . . . . 10 CYS CB . 51951 1 111 . 1 . 1 10 10 CYS N N 15 113.9610 . . 1 . . . . . 10 CYS N . 51951 1 112 . 1 . 1 11 11 ASN H H 1 8.4863 . . 1 . . . . . 11 ASN HN . 51951 1 113 . 1 . 1 11 11 ASN HA H 1 4.7585 . . 1 . . . . . 11 ASN HA . 51951 1 114 . 1 . 1 11 11 ASN HB2 H 1 2.8379 . . 1 . . . . . 11 ASN HB1 . 51951 1 115 . 1 . 1 11 11 ASN HB3 H 1 2.7633 . . 1 . . . . . 11 ASN HB2 . 51951 1 116 . 1 . 1 11 11 ASN HD21 H 1 6.9664 . . 2 . . . . . 11 ASN HD21 . 51951 1 117 . 1 . 1 11 11 ASN HD22 H 1 7.7460 . . 2 . . . . . 11 ASN HD22 . 51951 1 118 . 1 . 1 11 11 ASN CA C 13 57.6839 . . 1 . . . . . 11 ASN CA . 51951 1 119 . 1 . 1 11 11 ASN CB C 13 41.9074 . . 1 . . . . . 11 ASN CB . 51951 1 120 . 1 . 1 11 11 ASN N N 15 121.6200 . . 1 . . . . . 11 ASN N . 51951 1 121 . 1 . 1 11 11 ASN ND2 N 15 112.6193 . . 1 . . . . . 11 ASN ND2 . 51951 1 122 . 1 . 1 12 12 GLU H H 1 7.5996 . . 1 . . . . . 12 GLU HN . 51951 1 123 . 1 . 1 12 12 GLU HA H 1 4.7886 . . 1 . . . . . 12 GLU HA . 51951 1 124 . 1 . 1 12 12 GLU HB2 H 1 1.9137 . . 1 . . . . . 12 GLU HB1 . 51951 1 125 . 1 . 1 12 12 GLU HB3 H 1 1.4949 . . 1 . . . . . 12 GLU HB2 . 51951 1 126 . 1 . 1 12 12 GLU HG2 H 1 2.1981 . . 2 . . . . . 12 GLU HG1 . 51951 1 127 . 1 . 1 12 12 GLU HG3 H 1 2.1631 . . 2 . . . . . 12 GLU HG2 . 51951 1 128 . 1 . 1 12 12 GLU CA C 13 56.2860 . . 1 . . . . . 12 GLU CA . 51951 1 129 . 1 . 1 12 12 GLU CB C 13 32.1090 . . 1 . . . . . 12 GLU CB . 51951 1 130 . 1 . 1 12 12 GLU CG C 13 35.9875 . . 1 . . . . . 12 GLU CG . 51951 1 131 . 1 . 1 12 12 GLU N N 15 117.9995 . . 1 . . . . . 12 GLU N . 51951 1 132 . 1 . 1 13 13 LYS H H 1 8.9579 . . 1 . . . . . 13 LYS HN . 51951 1 133 . 1 . 1 13 13 LYS HA H 1 2.8830 . . 1 . . . . . 13 LYS HA . 51951 1 134 . 1 . 1 13 13 LYS HB2 H 1 1.3806 . . 1 . . . . . 13 LYS HB1 . 51951 1 135 . 1 . 1 13 13 LYS HB3 H 1 1.4733 . . 1 . . . . . 13 LYS HB2 . 51951 1 136 . 1 . 1 13 13 LYS HG2 H 1 0.9009 . . 2 . . . . . 13 LYS HG1 . 51951 1 137 . 1 . 1 13 13 LYS HG3 H 1 0.9816 . . 2 . . . . . 13 LYS HG2 . 51951 1 138 . 1 . 1 13 13 LYS CA C 13 60.2787 . . 1 . . . . . 13 LYS CA . 51951 1 139 . 1 . 1 13 13 LYS CB C 13 32.0202 . . 1 . . . . . 13 LYS CB . 51951 1 140 . 1 . 1 13 13 LYS CG C 13 25.1559 . . 1 . . . . . 13 LYS CG . 51951 1 141 . 1 . 1 13 13 LYS N N 15 128.0634 . . 1 . . . . . 13 LYS N . 51951 1 142 . 1 . 1 14 14 SER H H 1 8.8930 . . 1 . . . . . 14 SER HN . 51951 1 143 . 1 . 1 14 14 SER HA H 1 4.1907 . . 1 . . . . . 14 SER HA . 51951 1 144 . 1 . 1 14 14 SER HB2 H 1 3.9539 . . 1 . . . . . 14 SER HB1 . 51951 1 145 . 1 . 1 14 14 SER HB3 H 1 4.0600 . . 1 . . . . . 14 SER HB2 . 51951 1 146 . 1 . 1 14 14 SER CA C 13 61.2157 . . 1 . . . . . 14 SER CA . 51951 1 147 . 1 . 1 14 14 SER CB C 13 63.7942 . . 1 . . . . . 14 SER CB . 51951 1 148 . 1 . 1 14 14 SER N N 15 114.0491 . . 1 . . . . . 14 SER N . 51951 1 149 . 1 . 1 15 15 HIS H H 1 7.3312 . . 1 . . . . . 15 HIS HN . 51951 1 150 . 1 . 1 15 15 HIS HA H 1 4.8658 . . 1 . . . . . 15 HIS HA . 51951 1 151 . 1 . 1 15 15 HIS HB2 H 1 3.7194 . . 1 . . . . . 15 HIS HB1 . 51951 1 152 . 1 . 1 15 15 HIS HB3 H 1 3.4712 . . 1 . . . . . 15 HIS HB2 . 51951 1 153 . 1 . 1 15 15 HIS HD2 H 1 7.2700 . . 1 . . . . . 15 HIS HD2 . 51951 1 154 . 1 . 1 15 15 HIS HE1 H 1 8.1302 . . 1 . . . . . 15 HIS HE1 . 51951 1 155 . 1 . 1 15 15 HIS CA C 13 58.9393 . . 1 . . . . . 15 HIS CA . 51951 1 156 . 1 . 1 15 15 HIS CB C 13 30.7164 . . 1 . . . . . 15 HIS CB . 51951 1 157 . 1 . 1 15 15 HIS CD2 C 13 118.1393 . . 1 . . . . . 15 HIS CD2 . 51951 1 158 . 1 . 1 15 15 HIS CE1 C 13 138.3740 . . 1 . . . . . 15 HIS CE1 . 51951 1 159 . 1 . 1 15 15 HIS N N 15 120.9772 . . 1 . . . . . 15 HIS N . 51951 1 160 . 1 . 1 16 16 LEU H H 1 7.5017 . . 1 . . . . . 16 LEU HN . 51951 1 161 . 1 . 1 16 16 LEU HA H 1 4.3857 . . 1 . . . . . 16 LEU HA . 51951 1 162 . 1 . 1 16 16 LEU HB2 H 1 1.3408 . . 1 . . . . . 16 LEU HB1 . 51951 1 163 . 1 . 1 16 16 LEU HB3 H 1 1.9610 . . 1 . . . . . 16 LEU HB2 . 51951 1 164 . 1 . 1 16 16 LEU HG H 1 1.6752 . . 1 . . . . . 16 LEU HG . 51951 1 165 . 1 . 1 16 16 LEU HD11 H 1 0.9742 . . 2 . . . . . 16 LEU HD1# . 51951 1 166 . 1 . 1 16 16 LEU HD12 H 1 0.9742 . . 2 . . . . . 16 LEU HD1# . 51951 1 167 . 1 . 1 16 16 LEU HD13 H 1 0.9742 . . 2 . . . . . 16 LEU HD1# . 51951 1 168 . 1 . 1 16 16 LEU HD21 H 1 0.9768 . . 2 . . . . . 16 LEU HD2# . 51951 1 169 . 1 . 1 16 16 LEU HD22 H 1 0.9768 . . 2 . . . . . 16 LEU HD2# . 51951 1 170 . 1 . 1 16 16 LEU HD23 H 1 0.9768 . . 2 . . . . . 16 LEU HD2# . 51951 1 171 . 1 . 1 16 16 LEU CA C 13 57.8284 . . 1 . . . . . 16 LEU CA . 51951 1 172 . 1 . 1 16 16 LEU CB C 13 41.1691 . . 1 . . . . . 16 LEU CB . 51951 1 173 . 1 . 1 16 16 LEU CG C 13 27.2747 . . 1 . . . . . 16 LEU CG . 51951 1 174 . 1 . 1 16 16 LEU CD1 C 13 20.9603 . . 2 . . . . . 16 LEU CD1 . 51951 1 175 . 1 . 1 16 16 LEU CD2 C 13 22.7132 . . 2 . . . . . 16 LEU CD2 . 51951 1 176 . 1 . 1 16 16 LEU N N 15 125.1888 . . 1 . . . . . 16 LEU N . 51951 1 177 . 1 . 1 17 17 PHE H H 1 8.1213 . . 1 . . . . . 17 PHE HN . 51951 1 178 . 1 . 1 17 17 PHE HA H 1 4.3200 . . 1 . . . . . 17 PHE HA . 51951 1 179 . 1 . 1 17 17 PHE HB2 H 1 3.2479 . . 1 . . . . . 17 PHE HB1 . 51951 1 180 . 1 . 1 17 17 PHE HB3 H 1 3.1639 . . 1 . . . . . 17 PHE HB2 . 51951 1 181 . 1 . 1 17 17 PHE HD1 H 1 7.2936 . . 3 . . . . . 17 PHE HD# . 51951 1 182 . 1 . 1 17 17 PHE HD2 H 1 7.2936 . . 3 . . . . . 17 PHE HD# . 51951 1 183 . 1 . 1 17 17 PHE HE1 H 1 7.1205 . . 3 . . . . . 17 PHE HE# . 51951 1 184 . 1 . 1 17 17 PHE HE2 H 1 7.1205 . . 3 . . . . . 17 PHE HE# . 51951 1 185 . 1 . 1 17 17 PHE HZ H 1 6.8944 . . 1 . . . . . 17 PHE HZ . 51951 1 186 . 1 . 1 17 17 PHE CA C 13 60.5803 . . 1 . . . . . 17 PHE CA . 51951 1 187 . 1 . 1 17 17 PHE CB C 13 38.1016 . . 1 . . . . . 17 PHE CB . 51951 1 188 . 1 . 1 17 17 PHE CD1 C 13 131.6485 . . 3 . . . . . 17 PHE CD1 . 51951 1 189 . 1 . 1 17 17 PHE CE1 C 13 133.3382 . . 3 . . . . . 17 PHE CE1 . 51951 1 190 . 1 . 1 17 17 PHE CZ C 13 127.2466 . . 1 . . . . . 17 PHE CZ . 51951 1 191 . 1 . 1 17 17 PHE N N 15 119.7943 . . 1 . . . . . 17 PHE N . 51951 1 192 . 1 . 1 18 18 ASN H H 1 8.1927 . . 1 . . . . . 18 ASN HN . 51951 1 193 . 1 . 1 18 18 ASN HA H 1 4.4459 . . 1 . . . . . 18 ASN HA . 51951 1 194 . 1 . 1 18 18 ASN HB2 H 1 2.8797 . . 2 . . . . . 18 ASN HB1 . 51951 1 195 . 1 . 1 18 18 ASN HB3 H 1 2.9731 . . 2 . . . . . 18 ASN HB2 . 51951 1 196 . 1 . 1 18 18 ASN HD21 H 1 7.8577 . . 2 . . . . . 18 ASN HD21 . 51951 1 197 . 1 . 1 18 18 ASN HD22 H 1 6.9048 . . 2 . . . . . 18 ASN HD22 . 51951 1 198 . 1 . 1 18 18 ASN CA C 13 56.5002 . . 1 . . . . . 18 ASN CA . 51951 1 199 . 1 . 1 18 18 ASN CB C 13 42.0583 . . 1 . . . . . 18 ASN CB . 51951 1 200 . 1 . 1 18 18 ASN N N 15 117.7842 . . 1 . . . . . 18 ASN N . 51951 1 201 . 1 . 1 18 18 ASN ND2 N 15 111.6425 . . 1 . . . . . 18 ASN ND2 . 51951 1 202 . 1 . 1 19 19 HIS H H 1 7.8260 . . 1 . . . . . 19 HIS HN . 51951 1 203 . 1 . 1 19 19 HIS HA H 1 3.9851 . . 1 . . . . . 19 HIS HA . 51951 1 204 . 1 . 1 19 19 HIS HB2 H 1 2.5453 . . 1 . . . . . 19 HIS HB1 . 51951 1 205 . 1 . 1 19 19 HIS HB3 H 1 3.3433 . . 1 . . . . . 19 HIS HB2 . 51951 1 206 . 1 . 1 19 19 HIS HD2 H 1 6.8873 . . 1 . . . . . 19 HIS HD2 . 51951 1 207 . 1 . 1 19 19 HIS HE1 H 1 7.5545 . . 1 . . . . . 19 HIS HE1 . 51951 1 208 . 1 . 1 19 19 HIS CA C 13 59.6534 . . 1 . . . . . 19 HIS CA . 51951 1 209 . 1 . 1 19 19 HIS CB C 13 28.3598 . . 1 . . . . . 19 HIS CB . 51951 1 210 . 1 . 1 19 19 HIS CD2 C 13 119.6220 . . 1 . . . . . 19 HIS CD2 . 51951 1 211 . 1 . 1 19 19 HIS CE1 C 13 138.9035 . . 1 . . . . . 19 HIS CE1 . 51951 1 212 . 1 . 1 19 19 HIS N N 15 119.6922 . . 1 . . . . . 19 HIS N . 51951 1 213 . 1 . 1 20 20 MET H H 1 8.0260 . . 1 . . . . . 20 MET HN . 51951 1 214 . 1 . 1 20 20 MET HA H 1 4.0960 . . 1 . . . . . 20 MET HA . 51951 1 215 . 1 . 1 20 20 MET HB2 H 1 2.0887 . . 1 . . . . . 20 MET HB1 . 51951 1 216 . 1 . 1 20 20 MET HB3 H 1 2.1249 . . 1 . . . . . 20 MET HB2 . 51951 1 217 . 1 . 1 20 20 MET HG2 H 1 2.7902 . . 2 . . . . . 20 MET HG1 . 51951 1 218 . 1 . 1 20 20 MET HG3 H 1 2.8370 . . 2 . . . . . 20 MET HG2 . 51951 1 219 . 1 . 1 20 20 MET HE1 H 1 2.1098 . . 1 . . . . . 20 MET HE# . 51951 1 220 . 1 . 1 20 20 MET HE2 H 1 2.1098 . . 1 . . . . . 20 MET HE# . 51951 1 221 . 1 . 1 20 20 MET HE3 H 1 2.1098 . . 1 . . . . . 20 MET HE# . 51951 1 222 . 1 . 1 20 20 MET CA C 13 57.5776 . . 1 . . . . . 20 MET CA . 51951 1 223 . 1 . 1 20 20 MET CB C 13 32.5132 . . 1 . . . . . 20 MET CB . 51951 1 224 . 1 . 1 20 20 MET CG C 13 31.9732 . . 1 . . . . . 20 MET CG . 51951 1 225 . 1 . 1 20 20 MET CE C 13 16.5391 . . 1 . . . . . 20 MET CE . 51951 1 226 . 1 . 1 20 20 MET N N 15 115.9025 . . 1 . . . . . 20 MET N . 51951 1 227 . 1 . 1 21 21 LYS H H 1 7.9907 . . 1 . . . . . 21 LYS HN . 51951 1 228 . 1 . 1 21 21 LYS HA H 1 3.8318 . . 1 . . . . . 21 LYS HA . 51951 1 229 . 1 . 1 21 21 LYS HB2 H 1 1.3264 . . 1 . . . . . 21 LYS HB1 . 51951 1 230 . 1 . 1 21 21 LYS HB3 H 1 1.2195 . . 1 . . . . . 21 LYS HB2 . 51951 1 231 . 1 . 1 21 21 LYS HG2 H 1 1.4530 . . 2 . . . . . 21 LYS HG1 . 51951 1 232 . 1 . 1 21 21 LYS HG3 H 1 1.4514 . . 2 . . . . . 21 LYS HG2 . 51951 1 233 . 1 . 1 21 21 LYS HD2 H 1 0.9095 . . 2 . . . . . 21 LYS HD1 . 51951 1 234 . 1 . 1 21 21 LYS HD3 H 1 0.5616 . . 2 . . . . . 21 LYS HD2 . 51951 1 235 . 1 . 1 21 21 LYS HE2 H 1 2.7932 . . 1 . . . . . 21 LYS HE# . 51951 1 236 . 1 . 1 21 21 LYS HE3 H 1 2.7932 . . 1 . . . . . 21 LYS HE# . 51951 1 237 . 1 . 1 21 21 LYS CA C 13 58.7309 . . 1 . . . . . 21 LYS CA . 51951 1 238 . 1 . 1 21 21 LYS CB C 13 33.0907 . . 1 . . . . . 21 LYS CB . 51951 1 239 . 1 . 1 21 21 LYS CG C 13 24.9583 . . 1 . . . . . 21 LYS CG . 51951 1 240 . 1 . 1 21 21 LYS CD C 13 24.5310 . . 1 . . . . . 21 LYS CD . 51951 1 241 . 1 . 1 21 21 LYS CE C 13 41.8900 . . 1 . . . . . 21 LYS CE . 51951 1 242 . 1 . 1 21 21 LYS N N 15 119.8227 . . 1 . . . . . 21 LYS N . 51951 1 243 . 1 . 1 22 22 TYR H H 1 7.8285 . . 1 . . . . . 22 TYR HN . 51951 1 244 . 1 . 1 22 22 TYR HA H 1 4.6541 . . 1 . . . . . 22 TYR HA . 51951 1 245 . 1 . 1 22 22 TYR HB2 H 1 2.7279 . . 1 . . . . . 22 TYR HB1 . 51951 1 246 . 1 . 1 22 22 TYR HB3 H 1 3.2946 . . 1 . . . . . 22 TYR HB2 . 51951 1 247 . 1 . 1 22 22 TYR HD1 H 1 7.2247 . . 3 . . . . . 22 TYR HD# . 51951 1 248 . 1 . 1 22 22 TYR HD2 H 1 7.2247 . . 3 . . . . . 22 TYR HD# . 51951 1 249 . 1 . 1 22 22 TYR HE1 H 1 6.8372 . . 3 . . . . . 22 TYR HE# . 51951 1 250 . 1 . 1 22 22 TYR HE2 H 1 6.8372 . . 3 . . . . . 22 TYR HE# . 51951 1 251 . 1 . 1 22 22 TYR CA C 13 57.8403 . . 1 . . . . . 22 TYR CA . 51951 1 252 . 1 . 1 22 22 TYR CB C 13 39.1528 . . 1 . . . . . 22 TYR CB . 51951 1 253 . 1 . 1 22 22 TYR CD1 C 13 133.4194 . . 3 . . . . . 22 TYR CD1 . 51951 1 254 . 1 . 1 22 22 TYR CE2 C 13 118.0786 . . 3 . . . . . 22 TYR CE2 . 51951 1 255 . 1 . 1 22 22 TYR N N 15 114.1640 . . 1 . . . . . 22 TYR N . 51951 1 256 . 1 . 1 23 23 GLY H H 1 7.6194 . . 1 . . . . . 23 GLY HN . 51951 1 257 . 1 . 1 23 23 GLY HA2 H 1 4.0368 . . 1 . . . . . 23 GLY HA1 . 51951 1 258 . 1 . 1 23 23 GLY HA3 H 1 3.7193 . . 1 . . . . . 23 GLY HA2 . 51951 1 259 . 1 . 1 23 23 GLY CA C 13 46.4189 . . 1 . . . . . 23 GLY CA . 51951 1 260 . 1 . 1 23 23 GLY N N 15 108.0656 . . 1 . . . . . 23 GLY N . 51951 1 261 . 1 . 1 24 24 LEU H H 1 7.9033 . . 1 . . . . . 24 LEU HN . 51951 1 262 . 1 . 1 24 24 LEU HA H 1 4.2306 . . 1 . . . . . 24 LEU HA . 51951 1 263 . 1 . 1 24 24 LEU HB2 H 1 1.6213 . . 2 . . . . . 24 LEU HB# . 51951 1 264 . 1 . 1 24 24 LEU HB3 H 1 1.6213 . . 2 . . . . . 24 LEU HB# . 51951 1 265 . 1 . 1 24 24 LEU HG H 1 1.5487 . . 1 . . . . . 24 LEU HG . 51951 1 266 . 1 . 1 24 24 LEU HD11 H 1 0.9233 . . 2 . . . . . 24 LEU HD1# . 51951 1 267 . 1 . 1 24 24 LEU HD12 H 1 0.9233 . . 2 . . . . . 24 LEU HD1# . 51951 1 268 . 1 . 1 24 24 LEU HD13 H 1 0.9233 . . 2 . . . . . 24 LEU HD1# . 51951 1 269 . 1 . 1 24 24 LEU HD21 H 1 0.8315 . . 2 . . . . . 24 LEU HD2# . 51951 1 270 . 1 . 1 24 24 LEU HD22 H 1 0.8315 . . 2 . . . . . 24 LEU HD2# . 51951 1 271 . 1 . 1 24 24 LEU HD23 H 1 0.8315 . . 2 . . . . . 24 LEU HD2# . 51951 1 272 . 1 . 1 24 24 LEU CA C 13 55.3237 . . 1 . . . . . 24 LEU CA . 51951 1 273 . 1 . 1 24 24 LEU CB C 13 42.1234 . . 1 . . . . . 24 LEU CB . 51951 1 274 . 1 . 1 24 24 LEU CG C 13 27.0561 . . 1 . . . . . 24 LEU CG . 51951 1 275 . 1 . 1 24 24 LEU CD1 C 13 25.2772 . . 2 . . . . . 24 LEU CD1 . 51951 1 276 . 1 . 1 24 24 LEU CD2 C 13 22.9862 . . 2 . . . . . 24 LEU CD2 . 51951 1 277 . 1 . 1 24 24 LEU N N 15 118.2859 . . 1 . . . . . 24 LEU N . 51951 1 278 . 1 . 1 25 25 CYS H H 1 7.7524 . . 1 . . . . . 25 CYS HN . 51951 1 279 . 1 . 1 25 25 CYS HA H 1 4.3804 . . 1 . . . . . 25 CYS HA . 51951 1 280 . 1 . 1 25 25 CYS HB2 H 1 2.7577 . . 1 . . . . . 25 CYS HB1 . 51951 1 281 . 1 . 1 25 25 CYS HB3 H 1 2.5849 . . 1 . . . . . 25 CYS HB2 . 51951 1 282 . 1 . 1 25 25 CYS CA C 13 58.3810 . . 1 . . . . . 25 CYS CA . 51951 1 283 . 1 . 1 25 25 CYS CB C 13 30.0941 . . 1 . . . . . 25 CYS CB . 51951 1 284 . 1 . 1 25 25 CYS N N 15 112.7900 . . 1 . . . . . 25 CYS N . 51951 1 285 . 1 . 1 26 26 LYS H H 1 8.1689 . . 1 . . . . . 26 LYS HN . 51951 1 286 . 1 . 1 26 26 LYS HA H 1 4.3157 . . 1 . . . . . 26 LYS HA . 51951 1 287 . 1 . 1 26 26 LYS HB2 H 1 1.8396 . . 1 . . . . . 26 LYS HB1 . 51951 1 288 . 1 . 1 26 26 LYS HB3 H 1 1.8086 . . 1 . . . . . 26 LYS HB2 . 51951 1 289 . 1 . 1 26 26 LYS HG2 H 1 1.4089 . . 2 . . . . . 26 LYS HG1 . 51951 1 290 . 1 . 1 26 26 LYS HG3 H 1 1.4334 . . 2 . . . . . 26 LYS HG2 . 51951 1 291 . 1 . 1 26 26 LYS HD2 H 1 1.6969 . . 2 . . . . . 26 LYS HD1 . 51951 1 292 . 1 . 1 26 26 LYS HD3 H 1 1.4523 . . 2 . . . . . 26 LYS HD2 . 51951 1 293 . 1 . 1 26 26 LYS CA C 13 56.7173 . . 1 . . . . . 26 LYS CA . 51951 1 294 . 1 . 1 26 26 LYS CB C 13 33.0527 . . 1 . . . . . 26 LYS CB . 51951 1 295 . 1 . 1 26 26 LYS CG C 13 24.6737 . . 1 . . . . . 26 LYS CG . 51951 1 296 . 1 . 1 26 26 LYS CD C 13 29.2161 . . 1 . . . . . 26 LYS CD . 51951 1 297 . 1 . 1 26 26 LYS N N 15 123.1281 . . 1 . . . . . 26 LYS N . 51951 1 298 . 1 . 1 27 27 ASN H H 1 8.4143 . . 1 . . . . . 27 ASN HN . 51951 1 299 . 1 . 1 27 27 ASN HA H 1 4.7066 . . 1 . . . . . 27 ASN HA . 51951 1 300 . 1 . 1 27 27 ASN HB2 H 1 2.7652 . . 2 . . . . . 27 ASN HB1 . 51951 1 301 . 1 . 1 27 27 ASN HB3 H 1 2.9145 . . 2 . . . . . 27 ASN HB2 . 51951 1 302 . 1 . 1 27 27 ASN HD21 H 1 7.7530 . . 2 . . . . . 27 ASN HD21 . 51951 1 303 . 1 . 1 27 27 ASN HD22 H 1 7.0408 . . 2 . . . . . 27 ASN HD22 . 51951 1 304 . 1 . 1 27 27 ASN CA C 13 53.1286 . . 1 . . . . . 27 ASN CA . 51951 1 305 . 1 . 1 27 27 ASN CB C 13 40.7854 . . 1 . . . . . 27 ASN CB . 51951 1 306 . 1 . 1 27 27 ASN N N 15 119.9002 . . 1 . . . . . 27 ASN N . 51951 1 307 . 1 . 1 27 27 ASN ND2 N 15 112.6808 . . 1 . . . . . 27 ASN ND2 . 51951 1 stop_ save_