data_16797 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16797 _Entry.Title ; Structure of the three-Cys2His2 domain of mouse testis zinc finger protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-29 _Entry.Accession_date 2010-03-29 _Entry.Last_release_date 2010-07-27 _Entry.Original_release_date 2010-07-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Chun-Chi Chou . . . 16797 2 Yuan-Chao Lou . . . 16797 3 Chinpan Chen . . . 16797 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16797 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein/DNA . 16797 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16797 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 106 16797 '15N chemical shifts' 26 16797 '1H chemical shifts' 175 16797 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 . . 2010-07-27 2010-03-29 original author . 16797 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KVH 'BMRB Entry Tracking System' 16797 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16797 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20544958 _Citation.Full_citation . _Citation.Title 'Structure and DNA binding characteristics of the three-Cys2His2 domain of mouse testis zinc finger protein.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full Proteins _Citation.Journal_volume 78 _Citation.Journal_issue 10 _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 2202 _Citation.Page_last 2212 _Citation.Year 2010 _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.Entry_ID _Citation_author.Citation_ID 1 Chun-Chi Chou . . . 16797 1 2 Yuan-Chao Lou . . . 16797 1 3 Tang Tang . K. . 16797 1 4 Chinpan Chen . . . 16797 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16797 _Assembly.ID 1 _Assembly.Name 'mTZD finger2' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'mTZD finger2' 1 $mTZD_finger2 A . yes native no no . . . 16797 1 2 'ZINC ION' 2 $ZN B . no native no no . . . 16797 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_mTZD_finger2 _Entity.Sf_category entity _Entity.Sf_framecode mTZD_finger2 _Entity.Entry_ID 16797 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name mTZD_finger2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; EKPFSCSLCPQRSRDFSAMT KHLRTHG ; _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 27 _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 3120.5 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KVH . "Structure Of The Three-Cys2his2 Domain Of Mouse Testis Zinc Finger Protein" . . . . . 100.00 27 100.00 100.00 3.74e-10 . . . . 16797 1 2 no DBJ BAB30015 . "unnamed protein product [Mus musculus]" . . . . . 100.00 101 100.00 100.00 7.08e-10 . . . . 16797 1 3 no DBJ BAG73879 . "zinc finger and BTB domain containing protein 32 [synthetic construct]" . . . . . 100.00 487 100.00 100.00 3.73e-09 . . . . 16797 1 4 no GB AAD27708 . "testis zinc finger protein [Homo sapiens]" . . . . . 100.00 487 100.00 100.00 3.73e-09 . . . . 16797 1 5 no GB AAD48448 . "FANCC-interacting protein [Homo sapiens]" . . . . . 100.00 487 100.00 100.00 3.73e-09 . . . . 16797 1 6 no GB AAF61244 . "repressor of GATA [Mus musculus]" . . . . . 100.00 465 100.00 100.00 4.76e-09 . . . . 16797 1 7 no GB AAI37688 . "Zinc finger and BTB domain containing 32 [Mus musculus]" . . . . . 100.00 465 100.00 100.00 4.76e-09 . . . . 16797 1 8 no GB AAK13198 . "zinc finger protein TZFP [Mus musculus]" . . . . . 100.00 465 100.00 100.00 4.76e-09 . . . . 16797 1 9 no REF NP_001102987 . "zinc finger and BTB domain-containing protein 32 [Rattus norvegicus]" . . . . . 100.00 483 100.00 100.00 3.49e-09 . . . . 16797 1 10 no REF NP_001129098 . "zinc finger and BTB domain-containing protein 32 [Pan troglodytes]" . . . . . 100.00 487 100.00 100.00 3.92e-09 . . . . 16797 1 11 no REF NP_001178153 . "zinc finger and BTB domain-containing protein 32 [Bos taurus]" . . . . . 100.00 489 100.00 100.00 4.17e-09 . . . . 16797 1 12 no REF NP_001303831 . "zinc finger and BTB domain-containing protein 32 isoform 2 [Homo sapiens]" . . . . . 100.00 210 100.00 100.00 1.39e-09 . . . . 16797 1 13 no REF NP_001303832 . "zinc finger and BTB domain-containing protein 32 isoform 3 [Homo sapiens]" . . . . . 100.00 155 100.00 100.00 2.21e-09 . . . . 16797 1 14 no SP A1YGK1 . "RecName: Full=Zinc finger and BTB domain-containing protein 32" . . . . . 100.00 487 100.00 100.00 3.99e-09 . . . . 16797 1 15 no SP A2T7E6 . "RecName: Full=Zinc finger and BTB domain-containing protein 32" . . . . . 100.00 487 100.00 100.00 3.80e-09 . . . . 16797 1 16 no SP Q9JKD9 . "RecName: Full=Zinc finger and BTB domain-containing protein 32; AltName: Full=Repressor of GATA; AltName: Full=Testis zinc fing" . . . . . 100.00 465 100.00 100.00 4.76e-09 . . . . 16797 1 17 no SP Q9Y2Y4 . "RecName: Full=Zinc finger and BTB domain-containing protein 32; AltName: Full=FANCC-interacting protein; AltName: Full=Fanconi " . . . . . 100.00 487 100.00 100.00 3.73e-09 . . . . 16797 1 18 no TPG DAA19797 . "TPA: zinc finger and BTB domain containing 32-like [Bos taurus]" . . . . . 100.00 489 100.00 100.00 4.17e-09 . . . . 16797 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 29 GLU . 16797 1 2 30 LYS . 16797 1 3 31 PRO . 16797 1 4 32 PHE . 16797 1 5 33 SER . 16797 1 6 34 CYS . 16797 1 7 35 SER . 16797 1 8 36 LEU . 16797 1 9 37 CYS . 16797 1 10 38 PRO . 16797 1 11 39 GLN . 16797 1 12 40 ARG . 16797 1 13 41 SER . 16797 1 14 42 ARG . 16797 1 15 43 ASP . 16797 1 16 44 PHE . 16797 1 17 45 SER . 16797 1 18 46 ALA . 16797 1 19 47 MET . 16797 1 20 48 THR . 16797 1 21 49 LYS . 16797 1 22 50 HIS . 16797 1 23 51 LEU . 16797 1 24 52 ARG . 16797 1 25 53 THR . 16797 1 26 54 HIS . 16797 1 27 55 GLY . 16797 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 . GLU 1 1 16797 1 . LYS 2 2 16797 1 . PRO 3 3 16797 1 . PHE 4 4 16797 1 . SER 5 5 16797 1 . CYS 6 6 16797 1 . SER 7 7 16797 1 . LEU 8 8 16797 1 . CYS 9 9 16797 1 . PRO 10 10 16797 1 . GLN 11 11 16797 1 . ARG 12 12 16797 1 . SER 13 13 16797 1 . ARG 14 14 16797 1 . ASP 15 15 16797 1 . PHE 16 16 16797 1 . SER 17 17 16797 1 . ALA 18 18 16797 1 . MET 19 19 16797 1 . THR 20 20 16797 1 . LYS 21 21 16797 1 . HIS 22 22 16797 1 . LEU 23 23 16797 1 . ARG 24 24 16797 1 . THR 25 25 16797 1 . HIS 26 26 16797 1 . GLY 27 27 16797 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 16797 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _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 . _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 . ZN . 16797 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 16797 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $mTZD_finger2 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 16797 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 16797 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $mTZD_finger2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Tuner(DE3)pLacI . . . . . . . . . . . . . . . pETBlue-1 . . . . . . 16797 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 16797 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _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 ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; _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=1/Zn/q+2 InChI InChI 1.02b 16797 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 16797 ZN [Zn++] SMILES CACTVS 3.341 16797 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 16797 ZN [Zn+2] SMILES ACDLabs 10.04 16797 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 16797 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16797 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 16797 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16797 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 . . N 2 . . . . . . . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 . . 16797 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16797 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'mTZD finger2' . . . 1 $mTZD_finger2 . . . . . mM . . . . 16797 1 2 'acetic acid' '[U-99% 2H]' . . . . . . 50 . . mM . . . . 16797 1 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 16797 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 16797 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 16797 1 pH 6.0 . pH 16797 1 pressure 1 . atm 16797 1 temperature 298 . K 16797 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16797 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.18 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16797 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16797 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16797 _Software.ID 2 _Software.Name NMRView _Software.Version 5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16797 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16797 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16797 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16797 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16797 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 16797 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 16797 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16797 4 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 16797 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16797 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16797 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 16797 1 2 spectrometer_2 Bruker Avance . 600 . . . 16797 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 16797 _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 . . . . . . . . . . . . . . . . . . . . . 16797 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16797 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16797 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16797 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16797 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16797 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16797 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16797 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16797 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16797 1 11 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16797 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 16797 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16797 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16797 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16797 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_assignments_zf2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assignments_zf2 _Assigned_chem_shift_list.Entry_ID 16797 _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' . . . 16797 1 2 '2D 1H-13C HSQC' . . . 16797 1 3 '3D CBCA(CO)NH' . . . 16797 1 4 '3D HNCACB' . . . 16797 1 5 '3D HNCO' . . . 16797 1 6 '3D HBHA(CO)NH' . . . 16797 1 7 '3D HN(CO)CA' . . . 16797 1 8 '3D HCCH-TOCSY' . . . 16797 1 9 '3D 1H-15N NOESY' . . . 16797 1 10 '3D 1H-13C NOESY' . . . 16797 1 11 '2D 1H-1H NOESY' . . . 16797 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLU H H 1 7.975 . . 1 . . . . 29 GLU HN . 16797 1 2 . 1 1 1 1 GLU HA H 1 4.175 . . 1 . . . . 29 GLU HA . 16797 1 3 . 1 1 1 1 GLU HB2 H 1 1.967 . . 2 . . . . 29 GLU HB1 . 16797 1 4 . 1 1 1 1 GLU HB3 H 1 1.967 . . 2 . . . . 29 GLU HB2 . 16797 1 5 . 1 1 1 1 GLU HG2 H 1 2.210 . . 2 . . . . 29 GLU HG1 . 16797 1 6 . 1 1 1 1 GLU HG3 H 1 2.269 . . 2 . . . . 29 GLU HG2 . 16797 1 7 . 1 1 1 1 GLU C C 13 176.410 . . 1 . . . . 29 GLU C . 16797 1 8 . 1 1 1 1 GLU CA C 13 56.777 . . 1 . . . . 29 GLU CA . 16797 1 9 . 1 1 1 1 GLU CB C 13 30.278 . . 1 . . . . 29 GLU CB . 16797 1 10 . 1 1 1 1 GLU CG C 13 36.215 . . 1 . . . . 29 GLU CG . 16797 1 11 . 1 1 1 1 GLU N N 15 120.041 . . 1 . . . . 29 GLU N . 16797 1 12 . 1 1 2 2 LYS H H 1 8.285 . . 1 . . . . 30 LYS HN . 16797 1 13 . 1 1 2 2 LYS HA H 1 4.567 . . 1 . . . . 30 LYS HA . 16797 1 14 . 1 1 2 2 LYS HB2 H 1 1.555 . . 2 . . . . 30 LYS HB1 . 16797 1 15 . 1 1 2 2 LYS HB3 H 1 1.613 . . 2 . . . . 30 LYS HB2 . 16797 1 16 . 1 1 2 2 LYS HD2 H 1 1.408 . . 2 . . . . 30 LYS HD1 . 16797 1 17 . 1 1 2 2 LYS HD3 H 1 1.408 . . 2 . . . . 30 LYS HD2 . 16797 1 18 . 1 1 2 2 LYS HE2 H 1 2.957 . . 2 . . . . 30 LYS HE1 . 16797 1 19 . 1 1 2 2 LYS HE3 H 1 3.021 . . 2 . . . . 30 LYS HE2 . 16797 1 20 . 1 1 2 2 LYS HG2 H 1 1.222 . . 2 . . . . 30 LYS HG1 . 16797 1 21 . 1 1 2 2 LYS HG3 H 1 1.222 . . 2 . . . . 30 LYS HG2 . 16797 1 22 . 1 1 2 2 LYS C C 13 174.080 . . 1 . . . . 30 LYS C . 16797 1 23 . 1 1 2 2 LYS CA C 13 53.833 . . 1 . . . . 30 LYS CA . 16797 1 24 . 1 1 2 2 LYS CB C 13 32.909 . . 1 . . . . 30 LYS CB . 16797 1 25 . 1 1 2 2 LYS CD C 13 26.971 . . 1 . . . . 30 LYS CD . 16797 1 26 . 1 1 2 2 LYS CE C 13 42.141 . . 1 . . . . 30 LYS CE . 16797 1 27 . 1 1 2 2 LYS CG C 13 24.643 . . 1 . . . . 30 LYS CG . 16797 1 28 . 1 1 2 2 LYS N N 15 121.515 . . 1 . . . . 30 LYS N . 16797 1 29 . 1 1 3 3 PRO HA H 1 4.275 . . 1 . . . . 31 PRO HA . 16797 1 30 . 1 1 3 3 PRO HB2 H 1 1.433 . . 2 . . . . 31 PRO HB1 . 16797 1 31 . 1 1 3 3 PRO HB3 H 1 2.001 . . 2 . . . . 31 PRO HB2 . 16797 1 32 . 1 1 3 3 PRO HD2 H 1 3.638 . . 2 . . . . 31 PRO HD1 . 16797 1 33 . 1 1 3 3 PRO HD3 H 1 3.764 . . 2 . . . . 31 PRO HD2 . 16797 1 34 . 1 1 3 3 PRO HG2 H 1 2.012 . . 2 . . . . 31 PRO HG1 . 16797 1 35 . 1 1 3 3 PRO HG3 H 1 2.176 . . 2 . . . . 31 PRO HG2 . 16797 1 36 . 1 1 3 3 PRO CA C 13 63.277 . . 1 . . . . 31 PRO CA . 16797 1 37 . 1 1 3 3 PRO CB C 13 32.161 . . 1 . . . . 31 PRO CB . 16797 1 38 . 1 1 3 3 PRO CD C 13 50.382 . . 1 . . . . 31 PRO CD . 16797 1 39 . 1 1 3 3 PRO CG C 13 26.841 . . 1 . . . . 31 PRO CG . 16797 1 40 . 1 1 4 4 PHE H H 1 8.100 . . 1 . . . . 32 PHE HN . 16797 1 41 . 1 1 4 4 PHE HA H 1 4.662 . . 1 . . . . 32 PHE HA . 16797 1 42 . 1 1 4 4 PHE HB2 H 1 2.876 . . 2 . . . . 32 PHE HB1 . 16797 1 43 . 1 1 4 4 PHE HB3 H 1 3.065 . . 2 . . . . 32 PHE HB2 . 16797 1 44 . 1 1 4 4 PHE HD1 H 1 7.234 . . 3 . . . . 32 PHE HD1 . 16797 1 45 . 1 1 4 4 PHE HE1 H 1 7.340 . . 3 . . . . 32 PHE HE1 . 16797 1 46 . 1 1 4 4 PHE C C 13 175.330 . . 1 . . . . 32 PHE C . 16797 1 47 . 1 1 4 4 PHE CA C 13 57.529 . . 1 . . . . 32 PHE CA . 16797 1 48 . 1 1 4 4 PHE CB C 13 39.205 . . 1 . . . . 32 PHE CB . 16797 1 49 . 1 1 4 4 PHE N N 15 118.118 . . 1 . . . . 32 PHE N . 16797 1 50 . 1 1 5 5 SER H H 1 8.657 . . 1 . . . . 33 SER HN . 16797 1 51 . 1 1 5 5 SER HA H 1 4.822 . . 1 . . . . 33 SER HA . 16797 1 52 . 1 1 5 5 SER HB2 H 1 3.807 . . 2 . . . . 33 SER HB1 . 16797 1 53 . 1 1 5 5 SER HB3 H 1 3.807 . . 2 . . . . 33 SER HB2 . 16797 1 54 . 1 1 5 5 SER C C 13 172.660 . . 1 . . . . 33 SER C . 16797 1 55 . 1 1 5 5 SER CA C 13 57.341 . . 1 . . . . 33 SER CA . 16797 1 56 . 1 1 5 5 SER CB C 13 64.671 . . 1 . . . . 33 SER CB . 16797 1 57 . 1 1 5 5 SER N N 15 117.842 . . 1 . . . . 33 SER N . 16797 1 58 . 1 1 6 6 CYS H H 1 8.573 . . 1 . . . . 34 CYS HN . 16797 1 59 . 1 1 6 6 CYS HA H 1 4.436 . . 1 . . . . 34 CYS HA . 16797 1 60 . 1 1 6 6 CYS HB2 H 1 2.764 . . 2 . . . . 34 CYS HB1 . 16797 1 61 . 1 1 6 6 CYS HB3 H 1 3.553 . . 2 . . . . 34 CYS HB2 . 16797 1 62 . 1 1 6 6 CYS C C 13 175.470 . . 1 . . . . 34 CYS C . 16797 1 63 . 1 1 6 6 CYS CA C 13 60.066 . . 1 . . . . 34 CYS CA . 16797 1 64 . 1 1 6 6 CYS CB C 13 29.527 . . 1 . . . . 34 CYS CB . 16797 1 65 . 1 1 6 6 CYS N N 15 127.493 . . 1 . . . . 34 CYS N . 16797 1 66 . 1 1 7 7 SER H H 1 8.073 . . 1 . . . . 35 SER HN . 16797 1 67 . 1 1 7 7 SER HA H 1 4.483 . . 1 . . . . 35 SER HA . 16797 1 68 . 1 1 7 7 SER HB2 H 1 3.929 . . 2 . . . . 35 SER HB1 . 16797 1 69 . 1 1 7 7 SER HB3 H 1 3.985 . . 2 . . . . 35 SER HB2 . 16797 1 70 . 1 1 7 7 SER CA C 13 59.597 . . 1 . . . . 35 SER CA . 16797 1 71 . 1 1 7 7 SER CB C 13 63.355 . . 1 . . . . 35 SER CB . 16797 1 72 . 1 1 7 7 SER N N 15 121.066 . . 1 . . . . 35 SER N . 16797 1 73 . 1 1 8 8 LEU H H 1 9.723 . . 1 . . . . 36 LEU HN . 16797 1 74 . 1 1 8 8 LEU HA H 1 4.419 . . 1 . . . . 36 LEU HA . 16797 1 75 . 1 1 8 8 LEU HB2 H 1 1.371 . . 2 . . . . 36 LEU HB1 . 16797 1 76 . 1 1 8 8 LEU HB3 H 1 1.371 . . 2 . . . . 36 LEU HB2 . 16797 1 77 . 1 1 8 8 LEU HD11 H 1 0.687 . . 2 . . . . 36 LEU HD11 . 16797 1 78 . 1 1 8 8 LEU HD12 H 1 0.687 . . 2 . . . . 36 LEU HD11 . 16797 1 79 . 1 1 8 8 LEU HD13 H 1 0.687 . . 2 . . . . 36 LEU HD11 . 16797 1 80 . 1 1 8 8 LEU HD21 H 1 0.687 . . 2 . . . . 36 LEU HD21 . 16797 1 81 . 1 1 8 8 LEU HD22 H 1 0.687 . . 2 . . . . 36 LEU HD21 . 16797 1 82 . 1 1 8 8 LEU HD23 H 1 0.687 . . 2 . . . . 36 LEU HD21 . 16797 1 83 . 1 1 8 8 LEU HG H 1 0.915 . . 1 . . . . 36 LEU HG . 16797 1 84 . 1 1 8 8 LEU C C 13 175.510 . . 1 . . . . 36 LEU C . 16797 1 85 . 1 1 8 8 LEU CA C 13 55.280 . . 1 . . . . 36 LEU CA . 16797 1 86 . 1 1 8 8 LEU CB C 13 43.357 . . 1 . . . . 36 LEU CB . 16797 1 87 . 1 1 8 8 LEU CD1 C 13 26.451 . . 1 . . . . 36 LEU CD1 . 16797 1 88 . 1 1 8 8 LEU CD2 C 13 22.594 . . 1 . . . . 36 LEU CD2 . 16797 1 89 . 1 1 8 8 LEU CG C 13 25.066 . . 1 . . . . 36 LEU CG . 16797 1 90 . 1 1 8 8 LEU N N 15 125.683 . . 1 . . . . 36 LEU N . 16797 1 91 . 1 1 9 9 CYS H H 1 8.178 . . 1 . . . . 37 CYS HN . 16797 1 92 . 1 1 9 9 CYS HA H 1 5.035 . . 1 . . . . 37 CYS HA . 16797 1 93 . 1 1 9 9 CYS HB2 H 1 3.010 . . 2 . . . . 37 CYS HB1 . 16797 1 94 . 1 1 9 9 CYS HB3 H 1 3.411 . . 2 . . . . 37 CYS HB2 . 16797 1 95 . 1 1 9 9 CYS CA C 13 58.140 . . 1 . . . . 37 CYS CA . 16797 1 96 . 1 1 9 9 CYS CB C 13 29.460 . . 1 . . . . 37 CYS CB . 16797 1 97 . 1 1 9 9 CYS N N 15 123.538 . . 1 . . . . 37 CYS N . 16797 1 98 . 1 1 10 10 PRO HA H 1 4.606 . . 1 . . . . 38 PRO HA . 16797 1 99 . 1 1 10 10 PRO HB2 H 1 1.956 . . 2 . . . . 38 PRO HB1 . 16797 1 100 . 1 1 10 10 PRO HB3 H 1 2.332 . . 2 . . . . 38 PRO HB2 . 16797 1 101 . 1 1 10 10 PRO HD2 H 1 3.571 . . 2 . . . . 38 PRO HD1 . 16797 1 102 . 1 1 10 10 PRO HD3 H 1 3.803 . . 2 . . . . 38 PRO HD2 . 16797 1 103 . 1 1 10 10 PRO HG2 H 1 2.009 . . 2 . . . . 38 PRO HG1 . 16797 1 104 . 1 1 10 10 PRO HG3 H 1 2.006 . . 2 . . . . 38 PRO HG2 . 16797 1 105 . 1 1 10 10 PRO C C 13 176.850 . . 1 . . . . 38 PRO C . 16797 1 106 . 1 1 10 10 PRO CA C 13 63.825 . . 1 . . . . 38 PRO CA . 16797 1 107 . 1 1 10 10 PRO CB C 13 31.782 . . 1 . . . . 38 PRO CB . 16797 1 108 . 1 1 10 10 PRO CD C 13 50.592 . . 1 . . . . 38 PRO CD . 16797 1 109 . 1 1 10 10 PRO CG C 13 27.100 . . 1 . . . . 38 PRO CG . 16797 1 110 . 1 1 11 11 GLN H H 1 8.572 . . 1 . . . . 39 GLN HN . 16797 1 111 . 1 1 11 11 GLN HA H 1 3.872 . . 1 . . . . 39 GLN HA . 16797 1 112 . 1 1 11 11 GLN HB2 H 1 1.630 . . 2 . . . . 39 GLN HB1 . 16797 1 113 . 1 1 11 11 GLN HB3 H 1 1.637 . . 2 . . . . 39 GLN HB2 . 16797 1 114 . 1 1 11 11 GLN HE21 H 1 6.766 . . 2 . . . . 39 GLN HE21 . 16797 1 115 . 1 1 11 11 GLN HE22 H 1 7.332 . . 2 . . . . 39 GLN HE22 . 16797 1 116 . 1 1 11 11 GLN HG2 H 1 1.851 . . 2 . . . . 39 GLN HG1 . 16797 1 117 . 1 1 11 11 GLN HG3 H 1 1.851 . . 2 . . . . 39 GLN HG2 . 16797 1 118 . 1 1 11 11 GLN C C 13 175.170 . . 1 . . . . 39 GLN C . 16797 1 119 . 1 1 11 11 GLN CA C 13 57.999 . . 1 . . . . 39 GLN CA . 16797 1 120 . 1 1 11 11 GLN CB C 13 28.963 . . 1 . . . . 39 GLN CB . 16797 1 121 . 1 1 11 11 GLN CG C 13 32.550 . . 1 . . . . 39 GLN CG . 16797 1 122 . 1 1 11 11 GLN N N 15 123.033 . . 1 . . . . 39 GLN N . 16797 1 123 . 1 1 11 11 GLN NE2 N 15 112.086 . . 1 . . . . 39 GLN NE2 . 16797 1 124 . 1 1 12 12 ARG H H 1 8.300 . . 1 . . . . 40 ARG HN . 16797 1 125 . 1 1 12 12 ARG HA H 1 5.075 . . 1 . . . . 40 ARG HA . 16797 1 126 . 1 1 12 12 ARG HB2 H 1 1.589 . . 2 . . . . 40 ARG HB1 . 16797 1 127 . 1 1 12 12 ARG HB3 H 1 1.843 . . 2 . . . . 40 ARG HB2 . 16797 1 128 . 1 1 12 12 ARG HD2 H 1 3.082 . . 2 . . . . 40 ARG HD1 . 16797 1 129 . 1 1 12 12 ARG HD3 H 1 3.131 . . 2 . . . . 40 ARG HD2 . 16797 1 130 . 1 1 12 12 ARG HG2 H 1 1.379 . . 2 . . . . 40 ARG HG1 . 16797 1 131 . 1 1 12 12 ARG HG3 H 1 1.476 . . 2 . . . . 40 ARG HG2 . 16797 1 132 . 1 1 12 12 ARG C C 13 176.110 . . 1 . . . . 40 ARG C . 16797 1 133 . 1 1 12 12 ARG CA C 13 54.428 . . 1 . . . . 40 ARG CA . 16797 1 134 . 1 1 12 12 ARG CB C 13 33.567 . . 1 . . . . 40 ARG CB . 16797 1 135 . 1 1 12 12 ARG CD C 13 43.357 . . 1 . . . . 40 ARG CD . 16797 1 136 . 1 1 12 12 ARG CG C 13 27.382 . . 1 . . . . 40 ARG CG . 16797 1 137 . 1 1 12 12 ARG N N 15 124.318 . . 1 . . . . 40 ARG N . 16797 1 138 . 1 1 13 13 SER H H 1 8.621 . . 1 . . . . 41 SER HN . 16797 1 139 . 1 1 13 13 SER HA H 1 4.795 . . 1 . . . . 41 SER HA . 16797 1 140 . 1 1 13 13 SER HB2 H 1 3.748 . . 2 . . . . 41 SER HB1 . 16797 1 141 . 1 1 13 13 SER HB3 H 1 3.748 . . 2 . . . . 41 SER HB2 . 16797 1 142 . 1 1 13 13 SER C C 13 173.720 . . 1 . . . . 41 SER C . 16797 1 143 . 1 1 13 13 SER CA C 13 58.282 . . 1 . . . . 41 SER CA . 16797 1 144 . 1 1 13 13 SER CB C 13 66.120 . . 1 . . . . 41 SER CB . 16797 1 145 . 1 1 13 13 SER N N 15 115.060 . . 1 . . . . 41 SER N . 16797 1 146 . 1 1 14 14 ARG H H 1 9.007 . . 1 . . . . 42 ARG HN . 16797 1 147 . 1 1 14 14 ARG HA H 1 4.380 . . 1 . . . . 42 ARG HA . 16797 1 148 . 1 1 14 14 ARG HB2 H 1 1.852 . . 2 . . . . 42 ARG HB1 . 16797 1 149 . 1 1 14 14 ARG HB3 H 1 1.890 . . 2 . . . . 42 ARG HB2 . 16797 1 150 . 1 1 14 14 ARG HD2 H 1 2.964 . . 2 . . . . 42 ARG HD1 . 16797 1 151 . 1 1 14 14 ARG HD3 H 1 3.192 . . 2 . . . . 42 ARG HD2 . 16797 1 152 . 1 1 14 14 ARG HG2 H 1 1.679 . . 2 . . . . 42 ARG HG1 . 16797 1 153 . 1 1 14 14 ARG HG3 H 1 1.713 . . 2 . . . . 42 ARG HG2 . 16797 1 154 . 1 1 14 14 ARG C C 13 174.870 . . 1 . . . . 42 ARG C . 16797 1 155 . 1 1 14 14 ARG CA C 13 57.717 . . 1 . . . . 42 ARG CA . 16797 1 156 . 1 1 14 14 ARG CB C 13 30.936 . . 1 . . . . 42 ARG CB . 16797 1 157 . 1 1 14 14 ARG CD C 13 43.169 . . 1 . . . . 42 ARG CD . 16797 1 158 . 1 1 14 14 ARG CG C 13 27.476 . . 1 . . . . 42 ARG CG . 16797 1 159 . 1 1 14 14 ARG N N 15 121.352 . . 1 . . . . 42 ARG N . 16797 1 160 . 1 1 15 15 ASP H H 1 7.580 . . 1 . . . . 43 ASP HN . 16797 1 161 . 1 1 15 15 ASP HA H 1 4.681 . . 1 . . . . 43 ASP HA . 16797 1 162 . 1 1 15 15 ASP HB2 H 1 2.805 . . 2 . . . . 43 ASP HB1 . 16797 1 163 . 1 1 15 15 ASP HB3 H 1 2.805 . . 2 . . . . 43 ASP HB2 . 16797 1 164 . 1 1 15 15 ASP C C 13 175.110 . . 1 . . . . 43 ASP C . 16797 1 165 . 1 1 15 15 ASP CA C 13 52.173 . . 1 . . . . 43 ASP CA . 16797 1 166 . 1 1 15 15 ASP CB C 13 42.776 . . 1 . . . . 43 ASP CB . 16797 1 167 . 1 1 15 15 ASP N N 15 114.167 . . 1 . . . . 43 ASP N . 16797 1 168 . 1 1 16 16 PHE H H 1 8.781 . . 1 . . . . 44 PHE HN . 16797 1 169 . 1 1 16 16 PHE HA H 1 4.653 . . 1 . . . . 44 PHE HA . 16797 1 170 . 1 1 16 16 PHE HB2 H 1 2.827 . . 2 . . . . 44 PHE HB1 . 16797 1 171 . 1 1 16 16 PHE HB3 H 1 3.381 . . 2 . . . . 44 PHE HB2 . 16797 1 172 . 1 1 16 16 PHE HD1 H 1 7.242 . . 3 . . . . 44 PHE HD1 . 16797 1 173 . 1 1 16 16 PHE HE1 H 1 7.336 . . 3 . . . . 44 PHE HE1 . 16797 1 174 . 1 1 16 16 PHE C C 13 177.730 . . 1 . . . . 44 PHE C . 16797 1 175 . 1 1 16 16 PHE CA C 13 61.194 . . 1 . . . . 44 PHE CA . 16797 1 176 . 1 1 16 16 PHE CB C 13 39.017 . . 1 . . . . 44 PHE CB . 16797 1 177 . 1 1 16 16 PHE N N 15 123.542 . . 1 . . . . 44 PHE N . 16797 1 178 . 1 1 17 17 SER H H 1 8.489 . . 1 . . . . 45 SER HN . 16797 1 179 . 1 1 17 17 SER HA H 1 4.060 . . 1 . . . . 45 SER HA . 16797 1 180 . 1 1 17 17 SER HB2 H 1 3.884 . . 2 . . . . 45 SER HB1 . 16797 1 181 . 1 1 17 17 SER HB3 H 1 3.929 . . 2 . . . . 45 SER HB2 . 16797 1 182 . 1 1 17 17 SER C C 13 177.060 . . 1 . . . . 45 SER C . 16797 1 183 . 1 1 17 17 SER CA C 13 58.375 . . 1 . . . . 45 SER CA . 16797 1 184 . 1 1 17 17 SER CB C 13 62.134 . . 1 . . . . 45 SER CB . 16797 1 185 . 1 1 17 17 SER N N 15 116.789 . . 1 . . . . 45 SER N . 16797 1 186 . 1 1 18 18 ALA H H 1 8.334 . . 1 . . . . 46 ALA HN . 16797 1 187 . 1 1 18 18 ALA HA H 1 4.117 . . 1 . . . . 46 ALA HA . 16797 1 188 . 1 1 18 18 ALA HB1 H 1 1.542 . . 1 . . . . 46 ALA HB1 . 16797 1 189 . 1 1 18 18 ALA HB2 H 1 1.542 . . 1 . . . . 46 ALA HB1 . 16797 1 190 . 1 1 18 18 ALA HB3 H 1 1.542 . . 1 . . . . 46 ALA HB1 . 16797 1 191 . 1 1 18 18 ALA C C 13 180.890 . . 1 . . . . 46 ALA C . 16797 1 192 . 1 1 18 18 ALA CA C 13 54.616 . . 1 . . . . 46 ALA CA . 16797 1 193 . 1 1 18 18 ALA CB C 13 18.438 . . 1 . . . . 46 ALA CB . 16797 1 194 . 1 1 18 18 ALA N N 15 124.818 . . 1 . . . . 46 ALA N . 16797 1 195 . 1 1 19 19 MET H H 1 7.998 . . 1 . . . . 47 MET HN . 16797 1 196 . 1 1 19 19 MET HA H 1 4.402 . . 1 . . . . 47 MET HA . 16797 1 197 . 1 1 19 19 MET HB2 H 1 1.892 . . 2 . . . . 47 MET HB1 . 16797 1 198 . 1 1 19 19 MET HB3 H 1 2.031 . . 2 . . . . 47 MET HB2 . 16797 1 199 . 1 1 19 19 MET HE1 H 1 1.705 . . 1 . . . . 47 MET HE1 . 16797 1 200 . 1 1 19 19 MET HE2 H 1 1.705 . . 1 . . . . 47 MET HE1 . 16797 1 201 . 1 1 19 19 MET HE3 H 1 1.705 . . 1 . . . . 47 MET HE1 . 16797 1 202 . 1 1 19 19 MET HG2 H 1 2.962 . . 2 . . . . 47 MET HG1 . 16797 1 203 . 1 1 19 19 MET HG3 H 1 3.189 . . 2 . . . . 47 MET HG2 . 16797 1 204 . 1 1 19 19 MET C C 13 177.770 . . 1 . . . . 47 MET C . 16797 1 205 . 1 1 19 19 MET CA C 13 57.341 . . 1 . . . . 47 MET CA . 16797 1 206 . 1 1 19 19 MET CB C 13 30.466 . . 1 . . . . 47 MET CB . 16797 1 207 . 1 1 19 19 MET CE C 13 27.286 . . 1 . . . . 47 MET CE . 16797 1 208 . 1 1 19 19 MET CG C 13 43.060 . . 1 . . . . 47 MET CG . 16797 1 209 . 1 1 19 19 MET N N 15 120.704 . . 1 . . . . 47 MET N . 16797 1 210 . 1 1 20 20 THR H H 1 8.252 . . 1 . . . . 48 THR HN . 16797 1 211 . 1 1 20 20 THR HA H 1 4.079 . . 1 . . . . 48 THR HA . 16797 1 212 . 1 1 20 20 THR HB H 1 3.647 . . 1 . . . . 48 THR HB . 16797 1 213 . 1 1 20 20 THR HG21 H 1 0.989 . . 1 . . . . 48 THR HG21 . 16797 1 214 . 1 1 20 20 THR HG22 H 1 0.989 . . 1 . . . . 48 THR HG21 . 16797 1 215 . 1 1 20 20 THR HG23 H 1 0.989 . . 1 . . . . 48 THR HG21 . 16797 1 216 . 1 1 20 20 THR C C 13 176.640 . . 1 . . . . 48 THR C . 16797 1 217 . 1 1 20 20 THR CA C 13 66.738 . . 1 . . . . 48 THR CA . 16797 1 218 . 1 1 20 20 THR CB C 13 68.366 . . 1 . . . . 48 THR CB . 16797 1 219 . 1 1 20 20 THR CG2 C 13 21.274 . . 1 . . . . 48 THR CG2 . 16797 1 220 . 1 1 20 20 THR N N 15 116.925 . . 1 . . . . 48 THR N . 16797 1 221 . 1 1 21 21 LYS H H 1 7.600 . . 1 . . . . 49 LYS HN . 16797 1 222 . 1 1 21 21 LYS HA H 1 3.883 . . 1 . . . . 49 LYS HA . 16797 1 223 . 1 1 21 21 LYS HB2 H 1 1.821 . . 2 . . . . 49 LYS HB1 . 16797 1 224 . 1 1 21 21 LYS HB3 H 1 1.821 . . 2 . . . . 49 LYS HB2 . 16797 1 225 . 1 1 21 21 LYS HD2 H 1 1.621 . . 2 . . . . 49 LYS HD1 . 16797 1 226 . 1 1 21 21 LYS HD3 H 1 1.621 . . 2 . . . . 49 LYS HD2 . 16797 1 227 . 1 1 21 21 LYS HE2 H 1 2.901 . . 2 . . . . 49 LYS HE1 . 16797 1 228 . 1 1 21 21 LYS HE3 H 1 2.901 . . 2 . . . . 49 LYS HE2 . 16797 1 229 . 1 1 21 21 LYS HG2 H 1 1.346 . . 2 . . . . 49 LYS HG1 . 16797 1 230 . 1 1 21 21 LYS HG3 H 1 1.508 . . 2 . . . . 49 LYS HG2 . 16797 1 231 . 1 1 21 21 LYS C C 13 179.110 . . 1 . . . . 49 LYS C . 16797 1 232 . 1 1 21 21 LYS CA C 13 59.597 . . 1 . . . . 49 LYS CA . 16797 1 233 . 1 1 21 21 LYS CB C 13 32.346 . . 1 . . . . 49 LYS CB . 16797 1 234 . 1 1 21 21 LYS CD C 13 29.261 . . 1 . . . . 49 LYS CD . 16797 1 235 . 1 1 21 21 LYS CE C 13 41.853 . . 1 . . . . 49 LYS CE . 16797 1 236 . 1 1 21 21 LYS CG C 13 25.033 . . 1 . . . . 49 LYS CG . 16797 1 237 . 1 1 21 21 LYS N N 15 121.037 . . 1 . . . . 49 LYS N . 16797 1 238 . 1 1 22 22 HIS H H 1 8.152 . . 1 . . . . 50 HIS HN . 16797 1 239 . 1 1 22 22 HIS HA H 1 4.239 . . 1 . . . . 50 HIS HA . 16797 1 240 . 1 1 22 22 HIS HB2 H 1 3.140 . . 2 . . . . 50 HIS HB1 . 16797 1 241 . 1 1 22 22 HIS HB3 H 1 3.506 . . 2 . . . . 50 HIS HB2 . 16797 1 242 . 1 1 22 22 HIS HD2 H 1 7.179 . . 3 . . . . 50 HIS HD2 . 16797 1 243 . 1 1 22 22 HIS HE1 H 1 7.682 . . 3 . . . . 50 HIS HE1 . 16797 1 244 . 1 1 22 22 HIS C C 13 178.490 . . 1 . . . . 50 HIS C . 16797 1 245 . 1 1 22 22 HIS CA C 13 59.409 . . 1 . . . . 50 HIS CA . 16797 1 246 . 1 1 22 22 HIS CB C 13 27.365 . . 1 . . . . 50 HIS CB . 16797 1 247 . 1 1 22 22 HIS N N 15 118.899 . . 1 . . . . 50 HIS N . 16797 1 248 . 1 1 23 23 LEU H H 1 8.890 . . 1 . . . . 51 LEU HN . 16797 1 249 . 1 1 23 23 LEU HA H 1 3.869 . . 1 . . . . 51 LEU HA . 16797 1 250 . 1 1 23 23 LEU HB2 H 1 1.626 . . 2 . . . . 51 LEU HB1 . 16797 1 251 . 1 1 23 23 LEU HB3 H 1 1.881 . . 2 . . . . 51 LEU HB2 . 16797 1 252 . 1 1 23 23 LEU HD11 H 1 1.164 . . 2 . . . . 51 LEU HD11 . 16797 1 253 . 1 1 23 23 LEU HD12 H 1 1.164 . . 2 . . . . 51 LEU HD11 . 16797 1 254 . 1 1 23 23 LEU HD13 H 1 1.164 . . 2 . . . . 51 LEU HD11 . 16797 1 255 . 1 1 23 23 LEU HD21 H 1 0.959 . . 2 . . . . 51 LEU HD21 . 16797 1 256 . 1 1 23 23 LEU HD22 H 1 0.959 . . 2 . . . . 51 LEU HD21 . 16797 1 257 . 1 1 23 23 LEU HD23 H 1 0.959 . . 2 . . . . 51 LEU HD21 . 16797 1 258 . 1 1 23 23 LEU HG H 1 1.649 . . 1 . . . . 51 LEU HG . 16797 1 259 . 1 1 23 23 LEU C C 13 179.620 . . 1 . . . . 51 LEU C . 16797 1 260 . 1 1 23 23 LEU CA C 13 58.438 . . 1 . . . . 51 LEU CA . 16797 1 261 . 1 1 23 23 LEU CB C 13 41.240 . . 1 . . . . 51 LEU CB . 16797 1 262 . 1 1 23 23 LEU CD1 C 13 24.728 . . 1 . . . . 51 LEU CD1 . 16797 1 263 . 1 1 23 23 LEU CD2 C 13 24.728 . . 1 . . . . 51 LEU CD2 . 16797 1 264 . 1 1 23 23 LEU CG C 13 27.060 . . 1 . . . . 51 LEU CG . 16797 1 265 . 1 1 23 23 LEU N N 15 122.346 . . 1 . . . . 51 LEU N . 16797 1 266 . 1 1 24 24 ARG H H 1 7.289 . . 1 . . . . 52 ARG HN . 16797 1 267 . 1 1 24 24 ARG HA H 1 4.117 . . 1 . . . . 52 ARG HA . 16797 1 268 . 1 1 24 24 ARG HB2 H 1 1.881 . . 2 . . . . 52 ARG HB1 . 16797 1 269 . 1 1 24 24 ARG HB3 H 1 1.918 . . 2 . . . . 52 ARG HB2 . 16797 1 270 . 1 1 24 24 ARG HD2 H 1 3.187 . . 2 . . . . 52 ARG HD1 . 16797 1 271 . 1 1 24 24 ARG HD3 H 1 3.187 . . 2 . . . . 52 ARG HD2 . 16797 1 272 . 1 1 24 24 ARG HG2 H 1 1.685 . . 2 . . . . 52 ARG HG1 . 16797 1 273 . 1 1 24 24 ARG HG3 H 1 1.685 . . 2 . . . . 52 ARG HG2 . 16797 1 274 . 1 1 24 24 ARG C C 13 178.720 . . 1 . . . . 52 ARG C . 16797 1 275 . 1 1 24 24 ARG CA C 13 58.281 . . 1 . . . . 52 ARG CA . 16797 1 276 . 1 1 24 24 ARG CB C 13 29.809 . . 1 . . . . 52 ARG CB . 16797 1 277 . 1 1 24 24 ARG CD C 13 43.154 . . 1 . . . . 52 ARG CD . 16797 1 278 . 1 1 24 24 ARG CG C 13 27.046 . . 1 . . . . 52 ARG CG . 16797 1 279 . 1 1 24 24 ARG N N 15 116.585 . . 1 . . . . 52 ARG N . 16797 1 280 . 1 1 25 25 THR H H 1 7.731 . . 1 . . . . 53 THR HN . 16797 1 281 . 1 1 25 25 THR HA H 1 4.098 . . 1 . . . . 53 THR HA . 16797 1 282 . 1 1 25 25 THR HB H 1 4.023 . . 1 . . . . 53 THR HB . 16797 1 283 . 1 1 25 25 THR HG21 H 1 1.211 . . 1 . . . . 53 THR HG21 . 16797 1 284 . 1 1 25 25 THR HG22 H 1 1.211 . . 1 . . . . 53 THR HG21 . 16797 1 285 . 1 1 25 25 THR HG23 H 1 1.211 . . 1 . . . . 53 THR HG21 . 16797 1 286 . 1 1 25 25 THR C C 13 175.600 . . 1 . . . . 53 THR C . 16797 1 287 . 1 1 25 25 THR CA C 13 63.919 . . 1 . . . . 53 THR CA . 16797 1 288 . 1 1 25 25 THR CB C 13 68.993 . . 1 . . . . 53 THR CB . 16797 1 289 . 1 1 25 25 THR CG2 C 13 20.898 . . 1 . . . . 53 THR CG2 . 16797 1 290 . 1 1 25 25 THR N N 15 110.656 . . 1 . . . . 53 THR N . 16797 1 291 . 1 1 26 26 HIS H H 1 7.139 . . 1 . . . . 54 HIS HN . 16797 1 292 . 1 1 26 26 HIS HA H 1 4.606 . . 1 . . . . 54 HIS HA . 16797 1 293 . 1 1 26 26 HIS HB2 H 1 3.036 . . 2 . . . . 54 HIS HB1 . 16797 1 294 . 1 1 26 26 HIS HB3 H 1 3.149 . . 2 . . . . 54 HIS HB2 . 16797 1 295 . 1 1 26 26 HIS HD2 H 1 6.514 . . 3 . . . . 54 HIS HD2 . 16797 1 296 . 1 1 26 26 HIS HE1 H 1 7.888 . . 3 . . . . 54 HIS HE1 . 16797 1 297 . 1 1 26 26 HIS C C 13 175.400 . . 1 . . . . 54 HIS C . 16797 1 298 . 1 1 26 26 HIS CA C 13 55.932 . . 1 . . . . 54 HIS CA . 16797 1 299 . 1 1 26 26 HIS CB C 13 29.057 . . 1 . . . . 54 HIS CB . 16797 1 300 . 1 1 26 26 HIS CD2 C 13 67.112 . . 1 . . . . 54 HIS CD2 . 16797 1 301 . 1 1 26 26 HIS N N 15 118.393 . . 1 . . . . 54 HIS N . 16797 1 302 . 1 1 27 27 GLY H H 1 7.767 . . 1 . . . . 55 GLY HN . 16797 1 303 . 1 1 27 27 GLY HA2 H 1 3.910 . . 2 . . . . 55 GLY HA1 . 16797 1 304 . 1 1 27 27 GLY HA3 H 1 3.985 . . 2 . . . . 55 GLY HA2 . 16797 1 305 . 1 1 27 27 GLY C C 13 173.320 . . 1 . . . . 55 GLY C . 16797 1 306 . 1 1 27 27 GLY CA C 13 44.937 . . 1 . . . . 55 GLY CA . 16797 1 307 . 1 1 27 27 GLY N N 15 107.746 . . 1 . . . . 55 GLY N . 16797 1 stop_ save_