data_15160 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15160 _Entry.Title ; Solution Structure of the Ubiquitin-Binding Zinc Finger (UBZ) Domain of the Human DNA Y-Polymerase Eta ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-03-06 _Entry.Accession_date 2007-03-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Martha Bomar . G. . 15160 2 Pei Zhou . . . 15160 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15160 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 126 15160 '15N chemical shifts' 36 15160 '1H chemical shifts' 258 15160 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-12-13 2007-03-29 update author 'correct bond loop' 15160 1 . . 2007-03-06 2007-03-29 original author 'original release' 15160 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2I5O 'BMRB Entry Tracking System' 15160 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15160 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17304240 _Citation.Full_citation . _Citation.Title 'Structure of the ubiquitin-binding zinc finger domain of human DNA Y-polymerase eta' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 8 _Citation.Journal_issue 3 _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 247 _Citation.Page_last 251 _Citation.Year 2007 _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 Martha Bomar . G. . 15160 1 2 Ming-Tao Pai . . . 15160 1 3 Shiou-Ru Tzeng . . . 15160 1 4 'Shawn Shun-Cheng' Li . . . 15160 1 5 Pei Zhou . . . 15160 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'polymerase eta' 15160 1 'translesion synthesis' 15160 1 ubiquitin-binding 15160 1 'UBZ domain' 15160 1 'zinc finger' 15160 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15160 _Assembly.ID 1 _Assembly.Name 'polymerase eta UBZ domain' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _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 'UBZ domain' 1 $UBZ_domain A . yes native no no . . . 15160 1 2 'ZINC ION' 2 $ZN A . no native no no . . . 15160 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_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_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination SING . 2 'ZINC ION' 2 ZN 1 1 ZN . 1 'UBZ domain' 1 CYS 12 12 SG . . . . . . . 12 CYS SG 15160 1 2 coordination SING . 2 'ZINC ION' 2 ZN 1 1 ZN . 1 'UBZ domain' 1 CYS 15 15 SG . . . . . . . 15 CYS SG 15160 1 3 coordination SING . 2 'ZINC ION' 2 ZN 1 1 ZN . 1 'UBZ domain' 1 HIS 27 27 NE2 . . . . . . . 27 HIS NE2 15160 1 4 coordination SING . 2 'ZINC ION' 2 ZN 1 1 ZN . 1 'UBZ domain' 1 HIS 31 31 NE2 . . . . . . . 31 HIS NE2 15160 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 PDB 2I5O . . 'solution NMR' . . . 15160 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_UBZ_domain _Entity.Sf_category entity _Entity.Sf_framecode UBZ_domain _Entity.Entry_ID 15160 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name UBZ_domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMAAEDQVPCEKCGSLVP VWDMPEHMDYHFALELQKS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1-39 _Entity.Polymer_author_seq_details 'corresponding to GSHM due to coloning stategy plus residues 628-662 of human polymerase eta' _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 39 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2I5O . "Solution Structure Of The Ubiquitin-binding Zinc Finger (ubz) Domain Of The Human Dna Y-polymerase Eta" . . . . . 100.00 39 100.00 100.00 1.01e-19 . . . . 15160 1 2 no REF XP_004408176 . "PREDICTED: DNA polymerase eta isoform X1 [Odobenus rosmarus divergens]" . . . . . 92.31 712 97.22 100.00 8.35e-16 . . . . 15160 1 3 no REF XP_011815748 . "PREDICTED: DNA polymerase eta isoform X1 [Colobus angolensis palliatus]" . . . . . 92.31 712 97.22 100.00 6.06e-16 . . . . 15160 1 4 no REF XP_011815749 . "PREDICTED: DNA polymerase eta isoform X2 [Colobus angolensis palliatus]" . . . . . 92.31 588 97.22 100.00 5.81e-16 . . . . 15160 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 . GLY . 15160 1 2 . SER . 15160 1 3 . HIS . 15160 1 4 . MET . 15160 1 5 . ALA . 15160 1 6 . ALA . 15160 1 7 . GLU . 15160 1 8 . ASP . 15160 1 9 . GLN . 15160 1 10 . VAL . 15160 1 11 . PRO . 15160 1 12 . CYS . 15160 1 13 . GLU . 15160 1 14 . LYS . 15160 1 15 . CYS . 15160 1 16 . GLY . 15160 1 17 . SER . 15160 1 18 . LEU . 15160 1 19 . VAL . 15160 1 20 . PRO . 15160 1 21 . VAL . 15160 1 22 . TRP . 15160 1 23 . ASP . 15160 1 24 . MET . 15160 1 25 . PRO . 15160 1 26 . GLU . 15160 1 27 . HIS . 15160 1 28 . MET . 15160 1 29 . ASP . 15160 1 30 . TYR . 15160 1 31 . HIS . 15160 1 32 . PHE . 15160 1 33 . ALA . 15160 1 34 . LEU . 15160 1 35 . GLU . 15160 1 36 . LEU . 15160 1 37 . GLN . 15160 1 38 . LYS . 15160 1 39 . SER . 15160 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 15160 1 . SER 2 2 15160 1 . HIS 3 3 15160 1 . MET 4 4 15160 1 . ALA 5 5 15160 1 . ALA 6 6 15160 1 . GLU 7 7 15160 1 . ASP 8 8 15160 1 . GLN 9 9 15160 1 . VAL 10 10 15160 1 . PRO 11 11 15160 1 . CYS 12 12 15160 1 . GLU 13 13 15160 1 . LYS 14 14 15160 1 . CYS 15 15 15160 1 . GLY 16 16 15160 1 . SER 17 17 15160 1 . LEU 18 18 15160 1 . VAL 19 19 15160 1 . PRO 20 20 15160 1 . VAL 21 21 15160 1 . TRP 22 22 15160 1 . ASP 23 23 15160 1 . MET 24 24 15160 1 . PRO 25 25 15160 1 . GLU 26 26 15160 1 . HIS 27 27 15160 1 . MET 28 28 15160 1 . ASP 29 29 15160 1 . TYR 30 30 15160 1 . HIS 31 31 15160 1 . PHE 32 32 15160 1 . ALA 33 33 15160 1 . LEU 34 34 15160 1 . GLU 35 35 15160 1 . LEU 36 36 15160 1 . GLN 37 37 15160 1 . LYS 38 38 15160 1 . SER 39 39 15160 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 15160 _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 . _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 . _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 . 15160 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 15160 _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 $UBZ_domain . . organism . 'Homo sapiens' . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15160 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 15160 _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 $UBZ_domain . 'recombinant technology' 'Escherichia coli' . . . . . . . . . . . . . . . . . . . . . pET15b . . . . . . 15160 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 15160 _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 . _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 . _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _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 Wed Dec 20 05:48:03 2006 ; _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 15160 ZN [Zn++] SMILES_CANONICAL CACTVS 2.87 15160 ZN [Zn+2] SMILES OpenEye/OEToolkits 1.4.2 15160 ZN [Zn+2] SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 15160 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(+2) cation' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 15160 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 . . . . no no . . . . . . . . . . . . . . . 15160 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15160 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'UBZ domain' '[U-100% 15N]' 1 $assembly . . . . 2 . . mM . . . . 15160 1 2 phosphate 'natural abundance' . . . . . . 25 . . mM . . . . 15160 1 3 KCL 'natural abundance' . . . . . . 100 . . mM . . . . 15160 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15160 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'UBZ domain' '[U-100% 13C; U-100% 15N]' 1 $assembly . . . . 2 . . mM . . . . 15160 2 2 phosphate 'natural abundance' . . . . . . 25 . . mM . . . . 15160 2 3 KCL 'natural abundance' . . . . . . 100 . . mM . . . . 15160 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15160 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'UBZ domain' '[U-10% 13C; U-100% 15N]' 1 $assembly . . . . 2 . . mM . . . . 15160 3 2 phosphate 'natural abundance' . . . . . . 25 . . mM . . . . 15160 3 3 KCL 'natural abundance' . . . . . . 100 . . mM . . . . 15160 3 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 15160 _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' 100 . mM 15160 1 pH 7 . pH 15160 1 pressure 1 . atm 15160 1 temperature 298 . K 15160 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15160 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 15160 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15160 1 'peak picking' 15160 1 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15160 _Software.ID 2 _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' . . 15160 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 15160 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15160 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15160 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15160 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15160 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 15160 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15160 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15160 _Software.ID 5 _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' . . 15160 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15160 5 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 15160 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 15160 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15160 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 15160 1 2 spectrometer_1 Varian INOVA . 600 . . . 15160 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 15160 _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 . . . . . . . . . . . . . . . . . . . . . 15160 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15160 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15160 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15160 1 5 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15160 1 6 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15160 1 7 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15160 1 8 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15160 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15160 1 10 '3D HN(COCA)CB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15160 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15160 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15160 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 15160 _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 . . . . . . . . . 15160 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15160 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15160 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15160 _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 12 '3D 1H-13C NOESY' . . . 15160 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 2 2 SER HA H 1 4.499 0.020 . 1 . . . . 2 SER HA . 15160 1 2 . 1 1 2 2 SER HB2 H 1 3.839 0.020 . 1 . . . . 2 SER HB2 . 15160 1 3 . 1 1 2 2 SER HB3 H 1 3.839 0.020 . 1 . . . . 2 SER HB3 . 15160 1 4 . 1 1 2 2 SER CA C 13 58.100 0.400 . 1 . . . . 2 SER CA . 15160 1 5 . 1 1 2 2 SER CB C 13 63.694 0.400 . 1 . . . . 2 SER CB . 15160 1 6 . 1 1 3 3 HIS HA H 1 4.666 0.020 . 1 . . . . 3 HIS HA . 15160 1 7 . 1 1 3 3 HIS HB2 H 1 3.168 0.020 . 2 . . . . 3 HIS HB2 . 15160 1 8 . 1 1 3 3 HIS HB3 H 1 3.122 0.020 . 2 . . . . 3 HIS HB3 . 15160 1 9 . 1 1 3 3 HIS CA C 13 56.125 0.400 . 1 . . . . 3 HIS CA . 15160 1 10 . 1 1 3 3 HIS CB C 13 30.448 0.400 . 1 . . . . 3 HIS CB . 15160 1 11 . 1 1 4 4 MET H H 1 8.352 0.020 . 1 . . . . 4 MET H . 15160 1 12 . 1 1 4 4 MET HA H 1 4.467 0.020 . 1 . . . . 4 MET HA . 15160 1 13 . 1 1 4 4 MET HB2 H 1 1.940 0.020 . 2 . . . . 4 MET HB2 . 15160 1 14 . 1 1 4 4 MET HB3 H 1 2.055 0.020 . 2 . . . . 4 MET HB3 . 15160 1 15 . 1 1 4 4 MET HG2 H 1 2.466 0.020 . 2 . . . . 4 MET HG2 . 15160 1 16 . 1 1 4 4 MET HG3 H 1 2.517 0.020 . 2 . . . . 4 MET HG3 . 15160 1 17 . 1 1 4 4 MET HE1 H 1 2.083 0.020 . 1 . . . . 4 MET HE . 15160 1 18 . 1 1 4 4 MET HE2 H 1 2.083 0.020 . 1 . . . . 4 MET HE . 15160 1 19 . 1 1 4 4 MET HE3 H 1 2.083 0.020 . 1 . . . . 4 MET HE . 15160 1 20 . 1 1 4 4 MET CA C 13 55.043 0.400 . 1 . . . . 4 MET CA . 15160 1 21 . 1 1 4 4 MET CB C 13 32.902 0.400 . 1 . . . . 4 MET CB . 15160 1 22 . 1 1 4 4 MET CG C 13 31.694 0.400 . 1 . . . . 4 MET CG . 15160 1 23 . 1 1 4 4 MET CE C 13 16.693 0.400 . 1 . . . . 4 MET CE . 15160 1 24 . 1 1 4 4 MET N N 15 122.060 0.400 . 1 . . . . 4 MET N . 15160 1 25 . 1 1 5 5 ALA H H 1 8.549 0.020 . 1 . . . . 5 ALA H . 15160 1 26 . 1 1 5 5 ALA HA H 1 4.348 0.020 . 1 . . . . 5 ALA HA . 15160 1 27 . 1 1 5 5 ALA HB1 H 1 1.433 0.020 . 1 . . . . 5 ALA HB . 15160 1 28 . 1 1 5 5 ALA HB2 H 1 1.433 0.020 . 1 . . . . 5 ALA HB . 15160 1 29 . 1 1 5 5 ALA HB3 H 1 1.433 0.020 . 1 . . . . 5 ALA HB . 15160 1 30 . 1 1 5 5 ALA CA C 13 52.095 0.400 . 1 . . . . 5 ALA CA . 15160 1 31 . 1 1 5 5 ALA CB C 13 19.279 0.400 . 1 . . . . 5 ALA CB . 15160 1 32 . 1 1 5 5 ALA N N 15 126.109 0.400 . 1 . . . . 5 ALA N . 15160 1 33 . 1 1 6 6 ALA H H 1 8.412 0.020 . 1 . . . . 6 ALA H . 15160 1 34 . 1 1 6 6 ALA HA H 1 4.247 0.020 . 1 . . . . 6 ALA HA . 15160 1 35 . 1 1 6 6 ALA HB1 H 1 1.416 0.020 . 1 . . . . 6 ALA HB . 15160 1 36 . 1 1 6 6 ALA HB2 H 1 1.416 0.020 . 1 . . . . 6 ALA HB . 15160 1 37 . 1 1 6 6 ALA HB3 H 1 1.416 0.020 . 1 . . . . 6 ALA HB . 15160 1 38 . 1 1 6 6 ALA CA C 13 52.993 0.400 . 1 . . . . 6 ALA CA . 15160 1 39 . 1 1 6 6 ALA CB C 13 18.862 0.400 . 1 . . . . 6 ALA CB . 15160 1 40 . 1 1 6 6 ALA N N 15 123.795 0.400 . 1 . . . . 6 ALA N . 15160 1 41 . 1 1 7 7 GLU H H 1 8.520 0.020 . 1 . . . . 7 GLU H . 15160 1 42 . 1 1 7 7 GLU HA H 1 4.279 0.020 . 1 . . . . 7 GLU HA . 15160 1 43 . 1 1 7 7 GLU HB2 H 1 1.990 0.020 . 2 . . . . 7 GLU HB2 . 15160 1 44 . 1 1 7 7 GLU HB3 H 1 2.114 0.020 . 2 . . . . 7 GLU HB3 . 15160 1 45 . 1 1 7 7 GLU HG2 H 1 2.303 0.020 . 1 . . . . 7 GLU HG2 . 15160 1 46 . 1 1 7 7 GLU HG3 H 1 2.303 0.020 . 1 . . . . 7 GLU HG3 . 15160 1 47 . 1 1 7 7 GLU CA C 13 56.975 0.400 . 1 . . . . 7 GLU CA . 15160 1 48 . 1 1 7 7 GLU CB C 13 29.522 0.400 . 1 . . . . 7 GLU CB . 15160 1 49 . 1 1 7 7 GLU CG C 13 36.130 0.400 . 1 . . . . 7 GLU CG . 15160 1 50 . 1 1 7 7 GLU N N 15 117.626 0.400 . 1 . . . . 7 GLU N . 15160 1 51 . 1 1 8 8 ASP H H 1 8.103 0.020 . 1 . . . . 8 ASP H . 15160 1 52 . 1 1 8 8 ASP HA H 1 4.627 0.020 . 1 . . . . 8 ASP HA . 15160 1 53 . 1 1 8 8 ASP HB2 H 1 2.755 0.020 . 2 . . . . 8 ASP HB2 . 15160 1 54 . 1 1 8 8 ASP HB3 H 1 2.826 0.020 . 2 . . . . 8 ASP HB3 . 15160 1 55 . 1 1 8 8 ASP CA C 13 54.530 0.400 . 1 . . . . 8 ASP CA . 15160 1 56 . 1 1 8 8 ASP CB C 13 41.042 0.400 . 1 . . . . 8 ASP CB . 15160 1 57 . 1 1 8 8 ASP N N 15 119.361 0.400 . 1 . . . . 8 ASP N . 15160 1 58 . 1 1 9 9 GLN H H 1 7.791 0.020 . 1 . . . . 9 GLN H . 15160 1 59 . 1 1 9 9 GLN HA H 1 4.640 0.020 . 1 . . . . 9 GLN HA . 15160 1 60 . 1 1 9 9 GLN HB2 H 1 1.629 0.020 . 2 . . . . 9 GLN HB2 . 15160 1 61 . 1 1 9 9 GLN HB3 H 1 1.760 0.020 . 2 . . . . 9 GLN HB3 . 15160 1 62 . 1 1 9 9 GLN HG2 H 1 1.852 0.020 . 2 . . . . 9 GLN HG2 . 15160 1 63 . 1 1 9 9 GLN HG3 H 1 2.233 0.020 . 2 . . . . 9 GLN HG3 . 15160 1 64 . 1 1 9 9 GLN HE21 H 1 6.587 0.020 . 2 . . . . 9 GLN HE21 . 15160 1 65 . 1 1 9 9 GLN HE22 H 1 7.249 0.020 . 2 . . . . 9 GLN HE22 . 15160 1 66 . 1 1 9 9 GLN CA C 13 54.318 0.400 . 1 . . . . 9 GLN CA . 15160 1 67 . 1 1 9 9 GLN CB C 13 31.478 0.400 . 1 . . . . 9 GLN CB . 15160 1 68 . 1 1 9 9 GLN CG C 13 33.562 0.400 . 1 . . . . 9 GLN CG . 15160 1 69 . 1 1 9 9 GLN N N 15 118.205 0.400 . 1 . . . . 9 GLN N . 15160 1 70 . 1 1 9 9 GLN NE2 N 15 110.108 0.400 . 1 . . . . 9 GLN NE2 . 15160 1 71 . 1 1 10 10 VAL H H 1 8.693 0.020 . 1 . . . . 10 VAL H . 15160 1 72 . 1 1 10 10 VAL HA H 1 4.668 0.020 . 1 . . . . 10 VAL HA . 15160 1 73 . 1 1 10 10 VAL HB H 1 2.016 0.020 . 1 . . . . 10 VAL HB . 15160 1 74 . 1 1 10 10 VAL HG11 H 1 0.893 0.020 . 2 . . . . 10 VAL HG1 . 15160 1 75 . 1 1 10 10 VAL HG12 H 1 0.893 0.020 . 2 . . . . 10 VAL HG1 . 15160 1 76 . 1 1 10 10 VAL HG13 H 1 0.893 0.020 . 2 . . . . 10 VAL HG1 . 15160 1 77 . 1 1 10 10 VAL HG21 H 1 0.822 0.020 . 2 . . . . 10 VAL HG2 . 15160 1 78 . 1 1 10 10 VAL HG22 H 1 0.822 0.020 . 2 . . . . 10 VAL HG2 . 15160 1 79 . 1 1 10 10 VAL HG23 H 1 0.822 0.020 . 2 . . . . 10 VAL HG2 . 15160 1 80 . 1 1 10 10 VAL CA C 13 57.713 0.400 . 1 . . . . 10 VAL CA . 15160 1 81 . 1 1 10 10 VAL CB C 13 34.446 0.400 . 1 . . . . 10 VAL CB . 15160 1 82 . 1 1 10 10 VAL CG1 C 13 21.336 0.400 . 1 . . . . 10 VAL CG1 . 15160 1 83 . 1 1 10 10 VAL CG2 C 13 19.457 0.400 . 1 . . . . 10 VAL CG2 . 15160 1 84 . 1 1 10 10 VAL N N 15 119.361 0.400 . 1 . . . . 10 VAL N . 15160 1 85 . 1 1 11 11 PRO HA H 1 4.580 0.020 . 1 . . . . 11 PRO HA . 15160 1 86 . 1 1 11 11 PRO HB2 H 1 1.729 0.020 . 2 . . . . 11 PRO HB2 . 15160 1 87 . 1 1 11 11 PRO HB3 H 1 1.964 0.020 . 2 . . . . 11 PRO HB3 . 15160 1 88 . 1 1 11 11 PRO HG2 H 1 1.903 0.020 . 2 . . . . 11 PRO HG2 . 15160 1 89 . 1 1 11 11 PRO HG3 H 1 2.142 0.020 . 2 . . . . 11 PRO HG3 . 15160 1 90 . 1 1 11 11 PRO HD2 H 1 3.649 0.020 . 1 . . . . 11 PRO HD2 . 15160 1 91 . 1 1 11 11 PRO HD3 H 1 3.649 0.020 . 1 . . . . 11 PRO HD3 . 15160 1 92 . 1 1 11 11 PRO CA C 13 61.331 0.400 . 1 . . . . 11 PRO CA . 15160 1 93 . 1 1 11 11 PRO CB C 13 31.000 0.400 . 1 . . . . 11 PRO CB . 15160 1 94 . 1 1 11 11 PRO CG C 13 27.297 0.400 . 1 . . . . 11 PRO CG . 15160 1 95 . 1 1 11 11 PRO CD C 13 50.462 0.400 . 1 . . . . 11 PRO CD . 15160 1 96 . 1 1 12 12 CYS H H 1 8.879 0.020 . 1 . . . . 12 CYS H . 15160 1 97 . 1 1 12 12 CYS HA H 1 4.347 0.020 . 1 . . . . 12 CYS HA . 15160 1 98 . 1 1 12 12 CYS HB2 H 1 2.634 0.020 . 2 . . . . 12 CYS HB2 . 15160 1 99 . 1 1 12 12 CYS HB3 H 1 3.203 0.020 . 2 . . . . 12 CYS HB3 . 15160 1 100 . 1 1 12 12 CYS CA C 13 58.725 0.400 . 1 . . . . 12 CYS CA . 15160 1 101 . 1 1 12 12 CYS CB C 13 29.785 0.400 . 1 . . . . 12 CYS CB . 15160 1 102 . 1 1 12 12 CYS N N 15 126.494 0.400 . 1 . . . . 12 CYS N . 15160 1 103 . 1 1 13 13 GLU H H 1 9.413 0.020 . 1 . . . . 13 GLU H . 15160 1 104 . 1 1 13 13 GLU HA H 1 4.132 0.020 . 1 . . . . 13 GLU HA . 15160 1 105 . 1 1 13 13 GLU HB2 H 1 2.098 0.020 . 1 . . . . 13 GLU HB2 . 15160 1 106 . 1 1 13 13 GLU HB3 H 1 2.098 0.020 . 1 . . . . 13 GLU HB3 . 15160 1 107 . 1 1 13 13 GLU HG2 H 1 2.320 0.020 . 1 . . . . 13 GLU HG2 . 15160 1 108 . 1 1 13 13 GLU HG3 H 1 2.320 0.020 . 1 . . . . 13 GLU HG3 . 15160 1 109 . 1 1 13 13 GLU CA C 13 58.598 0.400 . 1 . . . . 13 GLU CA . 15160 1 110 . 1 1 13 13 GLU CB C 13 29.807 0.400 . 1 . . . . 13 GLU CB . 15160 1 111 . 1 1 13 13 GLU CG C 13 36.181 0.400 . 1 . . . . 13 GLU CG . 15160 1 112 . 1 1 13 13 GLU N N 15 131.314 0.400 . 1 . . . . 13 GLU N . 15160 1 113 . 1 1 14 14 LYS H H 1 9.302 0.020 . 1 . . . . 14 LYS H . 15160 1 114 . 1 1 14 14 LYS HA H 1 4.269 0.020 . 1 . . . . 14 LYS HA . 15160 1 115 . 1 1 14 14 LYS HB2 H 1 0.972 0.020 . 2 . . . . 14 LYS HB2 . 15160 1 116 . 1 1 14 14 LYS HB3 H 1 1.239 0.020 . 2 . . . . 14 LYS HB3 . 15160 1 117 . 1 1 14 14 LYS HG2 H 1 1.129 0.020 . 1 . . . . 14 LYS HG2 . 15160 1 118 . 1 1 14 14 LYS HG3 H 1 1.129 0.020 . 1 . . . . 14 LYS HG3 . 15160 1 119 . 1 1 14 14 LYS HD2 H 1 1.211 0.020 . 2 . . . . 14 LYS HD2 . 15160 1 120 . 1 1 14 14 LYS HD3 H 1 1.298 0.020 . 2 . . . . 14 LYS HD3 . 15160 1 121 . 1 1 14 14 LYS HE2 H 1 2.832 0.020 . 1 . . . . 14 LYS HE2 . 15160 1 122 . 1 1 14 14 LYS HE3 H 1 2.832 0.020 . 1 . . . . 14 LYS HE3 . 15160 1 123 . 1 1 14 14 LYS CA C 13 57.500 0.400 . 1 . . . . 14 LYS CA . 15160 1 124 . 1 1 14 14 LYS CB C 13 32.715 0.400 . 1 . . . . 14 LYS CB . 15160 1 125 . 1 1 14 14 LYS CG C 13 25.406 0.400 . 1 . . . . 14 LYS CG . 15160 1 126 . 1 1 14 14 LYS CD C 13 28.479 0.400 . 1 . . . . 14 LYS CD . 15160 1 127 . 1 1 14 14 LYS CE C 13 41.553 0.400 . 1 . . . . 14 LYS CE . 15160 1 128 . 1 1 14 14 LYS N N 15 121.096 0.400 . 1 . . . . 14 LYS N . 15160 1 129 . 1 1 15 15 CYS H H 1 8.461 0.020 . 1 . . . . 15 CYS H . 15160 1 130 . 1 1 15 15 CYS HA H 1 5.168 0.020 . 1 . . . . 15 CYS HA . 15160 1 131 . 1 1 15 15 CYS HB2 H 1 2.974 0.020 . 2 . . . . 15 CYS HB2 . 15160 1 132 . 1 1 15 15 CYS HB3 H 1 3.530 0.020 . 2 . . . . 15 CYS HB3 . 15160 1 133 . 1 1 15 15 CYS CA C 13 58.139 0.400 . 1 . . . . 15 CYS CA . 15160 1 134 . 1 1 15 15 CYS CB C 13 32.489 0.400 . 1 . . . . 15 CYS CB . 15160 1 135 . 1 1 15 15 CYS N N 15 116.470 0.400 . 1 . . . . 15 CYS N . 15160 1 136 . 1 1 16 16 GLY H H 1 8.197 0.020 . 1 . . . . 16 GLY H . 15160 1 137 . 1 1 16 16 GLY HA2 H 1 4.241 0.020 . 2 . . . . 16 GLY HA2 . 15160 1 138 . 1 1 16 16 GLY HA3 H 1 3.836 0.020 . 2 . . . . 16 GLY HA3 . 15160 1 139 . 1 1 16 16 GLY CA C 13 45.951 0.400 . 1 . . . . 16 GLY CA . 15160 1 140 . 1 1 16 16 GLY N N 15 113.578 0.400 . 1 . . . . 16 GLY N . 15160 1 141 . 1 1 17 17 SER H H 1 8.278 0.020 . 1 . . . . 17 SER H . 15160 1 142 . 1 1 17 17 SER HA H 1 4.336 0.020 . 1 . . . . 17 SER HA . 15160 1 143 . 1 1 17 17 SER HB2 H 1 3.629 0.020 . 2 . . . . 17 SER HB2 . 15160 1 144 . 1 1 17 17 SER HB3 H 1 3.647 0.020 . 2 . . . . 17 SER HB3 . 15160 1 145 . 1 1 17 17 SER CA C 13 59.663 0.400 . 1 . . . . 17 SER CA . 15160 1 146 . 1 1 17 17 SER CB C 13 63.493 0.400 . 1 . . . . 17 SER CB . 15160 1 147 . 1 1 17 17 SER N N 15 118.205 0.400 . 1 . . . . 17 SER N . 15160 1 148 . 1 1 18 18 LEU H H 1 8.418 0.020 . 1 . . . . 18 LEU H . 15160 1 149 . 1 1 18 18 LEU HA H 1 4.337 0.020 . 1 . . . . 18 LEU HA . 15160 1 150 . 1 1 18 18 LEU HB2 H 1 1.066 0.020 . 2 . . . . 18 LEU HB2 . 15160 1 151 . 1 1 18 18 LEU HB3 H 1 1.628 0.020 . 2 . . . . 18 LEU HB3 . 15160 1 152 . 1 1 18 18 LEU HG H 1 1.578 0.020 . 1 . . . . 18 LEU HG . 15160 1 153 . 1 1 18 18 LEU HD11 H 1 0.771 0.020 . 2 . . . . 18 LEU HD1 . 15160 1 154 . 1 1 18 18 LEU HD12 H 1 0.771 0.020 . 2 . . . . 18 LEU HD1 . 15160 1 155 . 1 1 18 18 LEU HD13 H 1 0.771 0.020 . 2 . . . . 18 LEU HD1 . 15160 1 156 . 1 1 18 18 LEU HD21 H 1 0.599 0.020 . 2 . . . . 18 LEU HD2 . 15160 1 157 . 1 1 18 18 LEU HD22 H 1 0.599 0.020 . 2 . . . . 18 LEU HD2 . 15160 1 158 . 1 1 18 18 LEU HD23 H 1 0.599 0.020 . 2 . . . . 18 LEU HD2 . 15160 1 159 . 1 1 18 18 LEU CA C 13 54.307 0.400 . 1 . . . . 18 LEU CA . 15160 1 160 . 1 1 18 18 LEU CB C 13 41.436 0.400 . 1 . . . . 18 LEU CB . 15160 1 161 . 1 1 18 18 LEU CG C 13 26.935 0.400 . 1 . . . . 18 LEU CG . 15160 1 162 . 1 1 18 18 LEU CD1 C 13 24.706 0.400 . 1 . . . . 18 LEU CD1 . 15160 1 163 . 1 1 18 18 LEU CD2 C 13 22.870 0.400 . 1 . . . . 18 LEU CD2 . 15160 1 164 . 1 1 18 18 LEU N N 15 123.988 0.400 . 1 . . . . 18 LEU N . 15160 1 165 . 1 1 19 19 VAL H H 1 8.653 0.020 . 1 . . . . 19 VAL H . 15160 1 166 . 1 1 19 19 VAL HA H 1 4.304 0.020 . 1 . . . . 19 VAL HA . 15160 1 167 . 1 1 19 19 VAL HB H 1 1.739 0.020 . 1 . . . . 19 VAL HB . 15160 1 168 . 1 1 19 19 VAL HG11 H 1 0.764 0.020 . 2 . . . . 19 VAL HG1 . 15160 1 169 . 1 1 19 19 VAL HG12 H 1 0.764 0.020 . 2 . . . . 19 VAL HG1 . 15160 1 170 . 1 1 19 19 VAL HG13 H 1 0.764 0.020 . 2 . . . . 19 VAL HG1 . 15160 1 171 . 1 1 19 19 VAL HG21 H 1 0.098 0.020 . 2 . . . . 19 VAL HG2 . 15160 1 172 . 1 1 19 19 VAL HG22 H 1 0.098 0.020 . 2 . . . . 19 VAL HG2 . 15160 1 173 . 1 1 19 19 VAL HG23 H 1 0.098 0.020 . 2 . . . . 19 VAL HG2 . 15160 1 174 . 1 1 19 19 VAL CA C 13 58.560 0.400 . 1 . . . . 19 VAL CA . 15160 1 175 . 1 1 19 19 VAL CB C 13 35.935 0.400 . 1 . . . . 19 VAL CB . 15160 1 176 . 1 1 19 19 VAL CG1 C 13 19.873 0.400 . 1 . . . . 19 VAL CG1 . 15160 1 177 . 1 1 19 19 VAL CG2 C 13 19.042 0.400 . 1 . . . . 19 VAL CG2 . 15160 1 178 . 1 1 19 19 VAL N N 15 127.073 0.400 . 1 . . . . 19 VAL N . 15160 1 179 . 1 1 20 20 PRO HA H 1 4.347 0.020 . 1 . . . . 20 PRO HA . 15160 1 180 . 1 1 20 20 PRO HB2 H 1 0.974 0.020 . 2 . . . . 20 PRO HB2 . 15160 1 181 . 1 1 20 20 PRO HB3 H 1 1.592 0.020 . 2 . . . . 20 PRO HB3 . 15160 1 182 . 1 1 20 20 PRO HG2 H 1 1.993 0.020 . 2 . . . . 20 PRO HG2 . 15160 1 183 . 1 1 20 20 PRO HG3 H 1 1.813 0.020 . 2 . . . . 20 PRO HG3 . 15160 1 184 . 1 1 20 20 PRO HD2 H 1 3.811 0.020 . 2 . . . . 20 PRO HD2 . 15160 1 185 . 1 1 20 20 PRO HD3 H 1 3.539 0.020 . 2 . . . . 20 PRO HD3 . 15160 1 186 . 1 1 20 20 PRO CA C 13 62.434 0.400 . 1 . . . . 20 PRO CA . 15160 1 187 . 1 1 20 20 PRO CB C 13 30.987 0.400 . 1 . . . . 20 PRO CB . 15160 1 188 . 1 1 20 20 PRO CG C 13 28.209 0.400 . 1 . . . . 20 PRO CG . 15160 1 189 . 1 1 20 20 PRO CD C 13 51.088 0.400 . 1 . . . . 20 PRO CD . 15160 1 190 . 1 1 21 21 VAL H H 1 8.355 0.020 . 1 . . . . 21 VAL H . 15160 1 191 . 1 1 21 21 VAL HA H 1 3.535 0.020 . 1 . . . . 21 VAL HA . 15160 1 192 . 1 1 21 21 VAL HB H 1 1.942 0.020 . 1 . . . . 21 VAL HB . 15160 1 193 . 1 1 21 21 VAL HG11 H 1 0.868 0.020 . 2 . . . . 21 VAL HG1 . 15160 1 194 . 1 1 21 21 VAL HG12 H 1 0.868 0.020 . 2 . . . . 21 VAL HG1 . 15160 1 195 . 1 1 21 21 VAL HG13 H 1 0.868 0.020 . 2 . . . . 21 VAL HG1 . 15160 1 196 . 1 1 21 21 VAL HG21 H 1 0.919 0.020 . 2 . . . . 21 VAL HG2 . 15160 1 197 . 1 1 21 21 VAL HG22 H 1 0.919 0.020 . 2 . . . . 21 VAL HG2 . 15160 1 198 . 1 1 21 21 VAL HG23 H 1 0.919 0.020 . 2 . . . . 21 VAL HG2 . 15160 1 199 . 1 1 21 21 VAL CA C 13 66.096 0.400 . 1 . . . . 21 VAL CA . 15160 1 200 . 1 1 21 21 VAL CB C 13 31.748 0.400 . 1 . . . . 21 VAL CB . 15160 1 201 . 1 1 21 21 VAL CG1 C 13 20.370 0.400 . 1 . . . . 21 VAL CG1 . 15160 1 202 . 1 1 21 21 VAL CG2 C 13 21.211 0.400 . 1 . . . . 21 VAL CG2 . 15160 1 203 . 1 1 21 21 VAL N N 15 123.024 0.400 . 1 . . . . 21 VAL N . 15160 1 204 . 1 1 22 22 TRP H H 1 7.028 0.020 . 1 . . . . 22 TRP H . 15160 1 205 . 1 1 22 22 TRP HA H 1 4.604 0.020 . 1 . . . . 22 TRP HA . 15160 1 206 . 1 1 22 22 TRP HB2 H 1 3.356 0.020 . 2 . . . . 22 TRP HB2 . 15160 1 207 . 1 1 22 22 TRP HB3 H 1 3.522 0.020 . 2 . . . . 22 TRP HB3 . 15160 1 208 . 1 1 22 22 TRP HD1 H 1 7.317 0.020 . 1 . . . . 22 TRP HD1 . 15160 1 209 . 1 1 22 22 TRP HE1 H 1 10.416 0.020 . 1 . . . . 22 TRP HE1 . 15160 1 210 . 1 1 22 22 TRP HE3 H 1 7.704 0.020 . 1 . . . . 22 TRP HE3 . 15160 1 211 . 1 1 22 22 TRP HZ2 H 1 7.546 0.020 . 1 . . . . 22 TRP HZ2 . 15160 1 212 . 1 1 22 22 TRP HZ3 H 1 7.264 0.020 . 1 . . . . 22 TRP HZ3 . 15160 1 213 . 1 1 22 22 TRP HH2 H 1 7.302 0.020 . 1 . . . . 22 TRP HH2 . 15160 1 214 . 1 1 22 22 TRP CA C 13 57.736 0.400 . 1 . . . . 22 TRP CA . 15160 1 215 . 1 1 22 22 TRP CB C 13 27.357 0.400 . 1 . . . . 22 TRP CB . 15160 1 216 . 1 1 22 22 TRP CD1 C 13 127.943 0.400 . 1 . . . . 22 TRP CD1 . 15160 1 217 . 1 1 22 22 TRP CE3 C 13 120.369 0.400 . 1 . . . . 22 TRP CE3 . 15160 1 218 . 1 1 22 22 TRP CZ2 C 13 114.815 0.400 . 1 . . . . 22 TRP CZ2 . 15160 1 219 . 1 1 22 22 TRP CZ3 C 13 122.545 0.400 . 1 . . . . 22 TRP CZ3 . 15160 1 220 . 1 1 22 22 TRP CH2 C 13 124.909 0.400 . 1 . . . . 22 TRP CH2 . 15160 1 221 . 1 1 22 22 TRP N N 15 116.084 0.400 . 1 . . . . 22 TRP N . 15160 1 222 . 1 1 22 22 TRP NE1 N 15 131.892 0.400 . 1 . . . . 22 TRP NE1 . 15160 1 223 . 1 1 23 23 ASP H H 1 7.565 0.020 . 1 . . . . 23 ASP H . 15160 1 224 . 1 1 23 23 ASP HA H 1 5.159 0.020 . 1 . . . . 23 ASP HA . 15160 1 225 . 1 1 23 23 ASP HB2 H 1 2.233 0.020 . 2 . . . . 23 ASP HB2 . 15160 1 226 . 1 1 23 23 ASP HB3 H 1 2.854 0.020 . 2 . . . . 23 ASP HB3 . 15160 1 227 . 1 1 23 23 ASP CA C 13 53.658 0.400 . 1 . . . . 23 ASP CA . 15160 1 228 . 1 1 23 23 ASP CB C 13 42.138 0.400 . 1 . . . . 23 ASP CB . 15160 1 229 . 1 1 23 23 ASP N N 15 119.747 0.400 . 1 . . . . 23 ASP N . 15160 1 230 . 1 1 24 24 MET H H 1 7.405 0.020 . 1 . . . . 24 MET H . 15160 1 231 . 1 1 24 24 MET HA H 1 4.602 0.020 . 1 . . . . 24 MET HA . 15160 1 232 . 1 1 24 24 MET HB2 H 1 1.971 0.020 . 2 . . . . 24 MET HB2 . 15160 1 233 . 1 1 24 24 MET HB3 H 1 2.334 0.020 . 2 . . . . 24 MET HB3 . 15160 1 234 . 1 1 24 24 MET HG2 H 1 2.574 0.020 . 2 . . . . 24 MET HG2 . 15160 1 235 . 1 1 24 24 MET HG3 H 1 2.691 0.020 . 2 . . . . 24 MET HG3 . 15160 1 236 . 1 1 24 24 MET HE1 H 1 1.968 0.020 . 1 . . . . 24 MET HE . 15160 1 237 . 1 1 24 24 MET HE2 H 1 1.968 0.020 . 1 . . . . 24 MET HE . 15160 1 238 . 1 1 24 24 MET HE3 H 1 1.968 0.020 . 1 . . . . 24 MET HE . 15160 1 239 . 1 1 24 24 MET CA C 13 58.342 0.400 . 1 . . . . 24 MET CA . 15160 1 240 . 1 1 24 24 MET CB C 13 28.697 0.400 . 1 . . . . 24 MET CB . 15160 1 241 . 1 1 24 24 MET CG C 13 32.893 0.400 . 1 . . . . 24 MET CG . 15160 1 242 . 1 1 24 24 MET CE C 13 17.547 0.400 . 1 . . . . 24 MET CE . 15160 1 243 . 1 1 24 24 MET N N 15 121.675 0.400 . 1 . . . . 24 MET N . 15160 1 244 . 1 1 25 25 PRO HA H 1 4.292 0.020 . 1 . . . . 25 PRO HA . 15160 1 245 . 1 1 25 25 PRO HB2 H 1 1.967 0.020 . 2 . . . . 25 PRO HB2 . 15160 1 246 . 1 1 25 25 PRO HB3 H 1 2.410 0.020 . 2 . . . . 25 PRO HB3 . 15160 1 247 . 1 1 25 25 PRO HG2 H 1 1.980 0.020 . 2 . . . . 25 PRO HG2 . 15160 1 248 . 1 1 25 25 PRO HG3 H 1 2.255 0.020 . 2 . . . . 25 PRO HG3 . 15160 1 249 . 1 1 25 25 PRO HD2 H 1 3.661 0.020 . 2 . . . . 25 PRO HD2 . 15160 1 250 . 1 1 25 25 PRO HD3 H 1 3.782 0.020 . 2 . . . . 25 PRO HD3 . 15160 1 251 . 1 1 25 25 PRO CA C 13 66.910 0.400 . 1 . . . . 25 PRO CA . 15160 1 252 . 1 1 25 25 PRO CB C 13 30.555 0.400 . 1 . . . . 25 PRO CB . 15160 1 253 . 1 1 25 25 PRO CG C 13 28.442 0.400 . 1 . . . . 25 PRO CG . 15160 1 254 . 1 1 25 25 PRO CD C 13 49.841 0.400 . 1 . . . . 25 PRO CD . 15160 1 255 . 1 1 26 26 GLU H H 1 7.806 0.020 . 1 . . . . 26 GLU H . 15160 1 256 . 1 1 26 26 GLU HA H 1 4.146 0.020 . 1 . . . . 26 GLU HA . 15160 1 257 . 1 1 26 26 GLU HB2 H 1 2.178 0.020 . 2 . . . . 26 GLU HB2 . 15160 1 258 . 1 1 26 26 GLU HB3 H 1 2.113 0.020 . 2 . . . . 26 GLU HB3 . 15160 1 259 . 1 1 26 26 GLU HG2 H 1 2.364 0.020 . 2 . . . . 26 GLU HG2 . 15160 1 260 . 1 1 26 26 GLU HG3 H 1 2.401 0.020 . 2 . . . . 26 GLU HG3 . 15160 1 261 . 1 1 26 26 GLU CA C 13 59.181 0.400 . 1 . . . . 26 GLU CA . 15160 1 262 . 1 1 26 26 GLU CB C 13 29.212 0.400 . 1 . . . . 26 GLU CB . 15160 1 263 . 1 1 26 26 GLU CG C 13 36.890 0.400 . 1 . . . . 26 GLU CG . 15160 1 264 . 1 1 26 26 GLU N N 15 117.819 0.400 . 1 . . . . 26 GLU N . 15160 1 265 . 1 1 27 27 HIS H H 1 8.459 0.020 . 1 . . . . 27 HIS H . 15160 1 266 . 1 1 27 27 HIS HA H 1 4.233 0.020 . 1 . . . . 27 HIS HA . 15160 1 267 . 1 1 27 27 HIS HB2 H 1 3.749 0.020 . 2 . . . . 27 HIS HB2 . 15160 1 268 . 1 1 27 27 HIS HB3 H 1 3.166 0.020 . 2 . . . . 27 HIS HB3 . 15160 1 269 . 1 1 27 27 HIS HD2 H 1 7.507 0.020 . 1 . . . . 27 HIS HD2 . 15160 1 270 . 1 1 27 27 HIS HE1 H 1 7.787 0.020 . 1 . . . . 27 HIS HE1 . 15160 1 271 . 1 1 27 27 HIS CA C 13 59.861 0.400 . 1 . . . . 27 HIS CA . 15160 1 272 . 1 1 27 27 HIS CB C 13 28.707 0.400 . 1 . . . . 27 HIS CB . 15160 1 273 . 1 1 27 27 HIS CD2 C 13 127.943 0.400 . 1 . . . . 27 HIS CD2 . 15160 1 274 . 1 1 27 27 HIS CE1 C 13 139.202 0.400 . 1 . . . . 27 HIS CE1 . 15160 1 275 . 1 1 27 27 HIS N N 15 121.868 0.400 . 1 . . . . 27 HIS N . 15160 1 276 . 1 1 28 28 MET H H 1 9.013 0.020 . 1 . . . . 28 MET H . 15160 1 277 . 1 1 28 28 MET HA H 1 4.505 0.020 . 1 . . . . 28 MET HA . 15160 1 278 . 1 1 28 28 MET HB2 H 1 2.084 0.020 . 2 . . . . 28 MET HB2 . 15160 1 279 . 1 1 28 28 MET HB3 H 1 2.325 0.020 . 2 . . . . 28 MET HB3 . 15160 1 280 . 1 1 28 28 MET HG2 H 1 2.908 0.020 . 1 . . . . 28 MET HG2 . 15160 1 281 . 1 1 28 28 MET HG3 H 1 2.908 0.020 . 1 . . . . 28 MET HG3 . 15160 1 282 . 1 1 28 28 MET HE1 H 1 2.139 0.020 . 1 . . . . 28 MET HE . 15160 1 283 . 1 1 28 28 MET HE2 H 1 2.139 0.020 . 1 . . . . 28 MET HE . 15160 1 284 . 1 1 28 28 MET HE3 H 1 2.139 0.020 . 1 . . . . 28 MET HE . 15160 1 285 . 1 1 28 28 MET CA C 13 56.934 0.400 . 1 . . . . 28 MET CA . 15160 1 286 . 1 1 28 28 MET CB C 13 29.110 0.400 . 1 . . . . 28 MET CB . 15160 1 287 . 1 1 28 28 MET CG C 13 31.913 0.400 . 1 . . . . 28 MET CG . 15160 1 288 . 1 1 28 28 MET CE C 13 16.052 0.400 . 1 . . . . 28 MET CE . 15160 1 289 . 1 1 28 28 MET N N 15 117.241 0.400 . 1 . . . . 28 MET N . 15160 1 290 . 1 1 29 29 ASP H H 1 8.132 0.020 . 1 . . . . 29 ASP H . 15160 1 291 . 1 1 29 29 ASP HA H 1 4.627 0.020 . 1 . . . . 29 ASP HA . 15160 1 292 . 1 1 29 29 ASP HB2 H 1 2.722 0.020 . 2 . . . . 29 ASP HB2 . 15160 1 293 . 1 1 29 29 ASP HB3 H 1 2.931 0.020 . 2 . . . . 29 ASP HB3 . 15160 1 294 . 1 1 29 29 ASP CA C 13 57.497 0.400 . 1 . . . . 29 ASP CA . 15160 1 295 . 1 1 29 29 ASP CB C 13 40.149 0.400 . 1 . . . . 29 ASP CB . 15160 1 296 . 1 1 29 29 ASP N N 15 121.868 0.400 . 1 . . . . 29 ASP N . 15160 1 297 . 1 1 30 30 TYR H H 1 7.912 0.020 . 1 . . . . 30 TYR H . 15160 1 298 . 1 1 30 30 TYR HA H 1 4.372 0.020 . 1 . . . . 30 TYR HA . 15160 1 299 . 1 1 30 30 TYR HB2 H 1 3.095 0.020 . 2 . . . . 30 TYR HB2 . 15160 1 300 . 1 1 30 30 TYR HB3 H 1 3.166 0.020 . 2 . . . . 30 TYR HB3 . 15160 1 301 . 1 1 30 30 TYR HD1 H 1 6.770 0.020 . 1 . . . . 30 TYR HD1 . 15160 1 302 . 1 1 30 30 TYR HD2 H 1 6.770 0.020 . 1 . . . . 30 TYR HD2 . 15160 1 303 . 1 1 30 30 TYR HE1 H 1 6.589 0.020 . 1 . . . . 30 TYR HE1 . 15160 1 304 . 1 1 30 30 TYR HE2 H 1 6.589 0.020 . 1 . . . . 30 TYR HE2 . 15160 1 305 . 1 1 30 30 TYR CA C 13 60.284 0.400 . 1 . . . . 30 TYR CA . 15160 1 306 . 1 1 30 30 TYR CB C 13 36.194 0.400 . 1 . . . . 30 TYR CB . 15160 1 307 . 1 1 30 30 TYR CD1 C 13 133.118 0.400 . 1 . . . . 30 TYR CD1 . 15160 1 308 . 1 1 30 30 TYR CE1 C 13 117.750 0.400 . 1 . . . . 30 TYR CE1 . 15160 1 309 . 1 1 30 30 TYR N N 15 122.639 0.400 . 1 . . . . 30 TYR N . 15160 1 310 . 1 1 31 31 HIS H H 1 7.334 0.020 . 1 . . . . 31 HIS H . 15160 1 311 . 1 1 31 31 HIS HA H 1 4.041 0.020 . 1 . . . . 31 HIS HA . 15160 1 312 . 1 1 31 31 HIS HB2 H 1 2.888 0.020 . 2 . . . . 31 HIS HB2 . 15160 1 313 . 1 1 31 31 HIS HB3 H 1 3.260 0.020 . 2 . . . . 31 HIS HB3 . 15160 1 314 . 1 1 31 31 HIS HD2 H 1 6.863 0.020 . 1 . . . . 31 HIS HD2 . 15160 1 315 . 1 1 31 31 HIS HE1 H 1 8.037 0.020 . 1 . . . . 31 HIS HE1 . 15160 1 316 . 1 1 31 31 HIS CA C 13 59.227 0.400 . 1 . . . . 31 HIS CA . 15160 1 317 . 1 1 31 31 HIS CB C 13 28.036 0.400 . 1 . . . . 31 HIS CB . 15160 1 318 . 1 1 31 31 HIS CD2 C 13 127.500 0.400 . 1 . . . . 31 HIS CD2 . 15160 1 319 . 1 1 31 31 HIS CE1 C 13 140.061 0.400 . 1 . . . . 31 HIS CE1 . 15160 1 320 . 1 1 31 31 HIS N N 15 116.855 0.400 . 1 . . . . 31 HIS N . 15160 1 321 . 1 1 32 32 PHE H H 1 8.351 0.020 . 1 . . . . 32 PHE H . 15160 1 322 . 1 1 32 32 PHE HA H 1 4.414 0.020 . 1 . . . . 32 PHE HA . 15160 1 323 . 1 1 32 32 PHE HB2 H 1 3.212 0.020 . 2 . . . . 32 PHE HB2 . 15160 1 324 . 1 1 32 32 PHE HB3 H 1 3.316 0.020 . 2 . . . . 32 PHE HB3 . 15160 1 325 . 1 1 32 32 PHE HD1 H 1 7.353 0.020 . 1 . . . . 32 PHE HD1 . 15160 1 326 . 1 1 32 32 PHE HD2 H 1 7.353 0.020 . 1 . . . . 32 PHE HD2 . 15160 1 327 . 1 1 32 32 PHE HE1 H 1 7.309 0.020 . 1 . . . . 32 PHE HE1 . 15160 1 328 . 1 1 32 32 PHE HE2 H 1 7.309 0.020 . 1 . . . . 32 PHE HE2 . 15160 1 329 . 1 1 32 32 PHE CA C 13 59.916 0.400 . 1 . . . . 32 PHE CA . 15160 1 330 . 1 1 32 32 PHE CB C 13 38.290 0.400 . 1 . . . . 32 PHE CB . 15160 1 331 . 1 1 32 32 PHE CD1 C 13 131.600 0.400 . 1 . . . . 32 PHE CD1 . 15160 1 332 . 1 1 32 32 PHE CE1 C 13 129.458 0.400 . 1 . . . . 32 PHE CE1 . 15160 1 333 . 1 1 32 32 PHE N N 15 119.361 0.400 . 1 . . . . 32 PHE N . 15160 1 334 . 1 1 33 33 ALA H H 1 8.119 0.020 . 1 . . . . 33 ALA H . 15160 1 335 . 1 1 33 33 ALA HA H 1 4.104 0.020 . 1 . . . . 33 ALA HA . 15160 1 336 . 1 1 33 33 ALA HB1 H 1 1.487 0.020 . 1 . . . . 33 ALA HB . 15160 1 337 . 1 1 33 33 ALA HB2 H 1 1.487 0.020 . 1 . . . . 33 ALA HB . 15160 1 338 . 1 1 33 33 ALA HB3 H 1 1.487 0.020 . 1 . . . . 33 ALA HB . 15160 1 339 . 1 1 33 33 ALA CA C 13 54.298 0.400 . 1 . . . . 33 ALA CA . 15160 1 340 . 1 1 33 33 ALA CB C 13 17.952 0.400 . 1 . . . . 33 ALA CB . 15160 1 341 . 1 1 33 33 ALA N N 15 121.289 0.400 . 1 . . . . 33 ALA N . 15160 1 342 . 1 1 34 34 LEU H H 1 7.647 0.020 . 1 . . . . 34 LEU H . 15160 1 343 . 1 1 34 34 LEU HA H 1 4.038 0.020 . 1 . . . . 34 LEU HA . 15160 1 344 . 1 1 34 34 LEU HB2 H 1 1.483 0.020 . 2 . . . . 34 LEU HB2 . 15160 1 345 . 1 1 34 34 LEU HB3 H 1 1.678 0.020 . 2 . . . . 34 LEU HB3 . 15160 1 346 . 1 1 34 34 LEU HG H 1 1.410 0.020 . 1 . . . . 34 LEU HG . 15160 1 347 . 1 1 34 34 LEU HD11 H 1 0.658 0.020 . 2 . . . . 34 LEU HD1 . 15160 1 348 . 1 1 34 34 LEU HD12 H 1 0.658 0.020 . 2 . . . . 34 LEU HD1 . 15160 1 349 . 1 1 34 34 LEU HD13 H 1 0.658 0.020 . 2 . . . . 34 LEU HD1 . 15160 1 350 . 1 1 34 34 LEU HD21 H 1 0.745 0.020 . 2 . . . . 34 LEU HD2 . 15160 1 351 . 1 1 34 34 LEU HD22 H 1 0.745 0.020 . 2 . . . . 34 LEU HD2 . 15160 1 352 . 1 1 34 34 LEU HD23 H 1 0.745 0.020 . 2 . . . . 34 LEU HD2 . 15160 1 353 . 1 1 34 34 LEU CA C 13 56.838 0.400 . 1 . . . . 34 LEU CA . 15160 1 354 . 1 1 34 34 LEU CB C 13 42.079 0.400 . 1 . . . . 34 LEU CB . 15160 1 355 . 1 1 34 34 LEU CG C 13 26.537 0.400 . 1 . . . . 34 LEU CG . 15160 1 356 . 1 1 34 34 LEU CD1 C 13 24.573 0.400 . 1 . . . . 34 LEU CD1 . 15160 1 357 . 1 1 34 34 LEU CD2 C 13 23.010 0.400 . 1 . . . . 34 LEU CD2 . 15160 1 358 . 1 1 34 34 LEU N N 15 118.783 0.400 . 1 . . . . 34 LEU N . 15160 1 359 . 1 1 35 35 GLU H H 1 7.857 0.020 . 1 . . . . 35 GLU H . 15160 1 360 . 1 1 35 35 GLU HA H 1 4.064 0.020 . 1 . . . . 35 GLU HA . 15160 1 361 . 1 1 35 35 GLU HB2 H 1 2.045 0.020 . 1 . . . . 35 GLU HB2 . 15160 1 362 . 1 1 35 35 GLU HB3 H 1 2.045 0.020 . 1 . . . . 35 GLU HB3 . 15160 1 363 . 1 1 35 35 GLU HG2 H 1 2.284 0.020 . 2 . . . . 35 GLU HG2 . 15160 1 364 . 1 1 35 35 GLU HG3 H 1 2.454 0.020 . 2 . . . . 35 GLU HG3 . 15160 1 365 . 1 1 35 35 GLU CA C 13 57.562 0.400 . 1 . . . . 35 GLU CA . 15160 1 366 . 1 1 35 35 GLU CB C 13 29.300 0.400 . 1 . . . . 35 GLU CB . 15160 1 367 . 1 1 35 35 GLU CG C 13 36.394 0.400 . 1 . . . . 35 GLU CG . 15160 1 368 . 1 1 35 35 GLU N N 15 118.783 0.400 . 1 . . . . 35 GLU N . 15160 1 369 . 1 1 36 36 LEU H H 1 7.659 0.020 . 1 . . . . 36 LEU H . 15160 1 370 . 1 1 36 36 LEU HA H 1 4.187 0.020 . 1 . . . . 36 LEU HA . 15160 1 371 . 1 1 36 36 LEU HB2 H 1 1.577 0.020 . 2 . . . . 36 LEU HB2 . 15160 1 372 . 1 1 36 36 LEU HB3 H 1 1.658 0.020 . 2 . . . . 36 LEU HB3 . 15160 1 373 . 1 1 36 36 LEU HG H 1 1.638 0.020 . 1 . . . . 36 LEU HG . 15160 1 374 . 1 1 36 36 LEU HD11 H 1 0.860 0.020 . 2 . . . . 36 LEU HD1 . 15160 1 375 . 1 1 36 36 LEU HD12 H 1 0.860 0.020 . 2 . . . . 36 LEU HD1 . 15160 1 376 . 1 1 36 36 LEU HD13 H 1 0.860 0.020 . 2 . . . . 36 LEU HD1 . 15160 1 377 . 1 1 36 36 LEU HD21 H 1 0.828 0.020 . 2 . . . . 36 LEU HD2 . 15160 1 378 . 1 1 36 36 LEU HD22 H 1 0.828 0.020 . 2 . . . . 36 LEU HD2 . 15160 1 379 . 1 1 36 36 LEU HD23 H 1 0.828 0.020 . 2 . . . . 36 LEU HD2 . 15160 1 380 . 1 1 36 36 LEU CA C 13 55.746 0.400 . 1 . . . . 36 LEU CA . 15160 1 381 . 1 1 36 36 LEU CB C 13 41.962 0.400 . 1 . . . . 36 LEU CB . 15160 1 382 . 1 1 36 36 LEU CG C 13 26.550 0.400 . 1 . . . . 36 LEU CG . 15160 1 383 . 1 1 36 36 LEU CD1 C 13 24.706 0.400 . 1 . . . . 36 LEU CD1 . 15160 1 384 . 1 1 36 36 LEU CD2 C 13 23.150 0.400 . 1 . . . . 36 LEU CD2 . 15160 1 385 . 1 1 36 36 LEU N N 15 120.132 0.400 . 1 . . . . 36 LEU N . 15160 1 386 . 1 1 37 37 GLN H H 1 7.841 0.020 . 1 . . . . 37 GLN H . 15160 1 387 . 1 1 37 37 GLN HA H 1 4.269 0.020 . 1 . . . . 37 GLN HA . 15160 1 388 . 1 1 37 37 GLN HB2 H 1 2.041 0.020 . 2 . . . . 37 GLN HB2 . 15160 1 389 . 1 1 37 37 GLN HB3 H 1 2.158 0.020 . 2 . . . . 37 GLN HB3 . 15160 1 390 . 1 1 37 37 GLN HG2 H 1 2.373 0.020 . 2 . . . . 37 GLN HG2 . 15160 1 391 . 1 1 37 37 GLN HG3 H 1 2.466 0.020 . 2 . . . . 37 GLN HG3 . 15160 1 392 . 1 1 37 37 GLN HE21 H 1 6.830 0.020 . 2 . . . . 37 GLN HE21 . 15160 1 393 . 1 1 37 37 GLN HE22 H 1 7.479 0.020 . 2 . . . . 37 GLN HE22 . 15160 1 394 . 1 1 37 37 GLN CA C 13 55.714 0.400 . 1 . . . . 37 GLN CA . 15160 1 395 . 1 1 37 37 GLN CB C 13 28.793 0.400 . 1 . . . . 37 GLN CB . 15160 1 396 . 1 1 37 37 GLN CG C 13 33.647 0.400 . 1 . . . . 37 GLN CG . 15160 1 397 . 1 1 37 37 GLN N N 15 118.976 0.400 . 1 . . . . 37 GLN N . 15160 1 398 . 1 1 37 37 GLN NE2 N 15 112.025 0.400 . 1 . . . . 37 GLN NE2 . 15160 1 399 . 1 1 38 38 LYS H H 1 8.052 0.020 . 1 . . . . 38 LYS H . 15160 1 400 . 1 1 38 38 LYS HA H 1 4.373 0.020 . 1 . . . . 38 LYS HA . 15160 1 401 . 1 1 38 38 LYS HB2 H 1 1.909 0.020 . 2 . . . . 38 LYS HB2 . 15160 1 402 . 1 1 38 38 LYS HB3 H 1 1.798 0.020 . 2 . . . . 38 LYS HB3 . 15160 1 403 . 1 1 38 38 LYS HG2 H 1 1.469 0.020 . 2 . . . . 38 LYS HG2 . 15160 1 404 . 1 1 38 38 LYS HG3 H 1 1.500 0.020 . 2 . . . . 38 LYS HG3 . 15160 1 405 . 1 1 38 38 LYS HD2 H 1 1.693 0.020 . 1 . . . . 38 LYS HD2 . 15160 1 406 . 1 1 38 38 LYS HD3 H 1 1.693 0.020 . 1 . . . . 38 LYS HD3 . 15160 1 407 . 1 1 38 38 LYS HE2 H 1 3.009 0.020 . 1 . . . . 38 LYS HE2 . 15160 1 408 . 1 1 38 38 LYS HE3 H 1 3.009 0.020 . 1 . . . . 38 LYS HE3 . 15160 1 409 . 1 1 38 38 LYS CA C 13 56.130 0.400 . 1 . . . . 38 LYS CA . 15160 1 410 . 1 1 38 38 LYS CB C 13 32.707 0.400 . 1 . . . . 38 LYS CB . 15160 1 411 . 1 1 38 38 LYS CG C 13 24.520 0.400 . 1 . . . . 38 LYS CG . 15160 1 412 . 1 1 38 38 LYS CD C 13 28.655 0.400 . 1 . . . . 38 LYS CD . 15160 1 413 . 1 1 38 38 LYS CE C 13 41.798 0.400 . 1 . . . . 38 LYS CE . 15160 1 414 . 1 1 38 38 LYS N N 15 122.060 0.400 . 1 . . . . 38 LYS N . 15160 1 415 . 1 1 39 39 SER H H 1 7.945 0.020 . 1 . . . . 39 SER H . 15160 1 416 . 1 1 39 39 SER HA H 1 4.388 0.020 . 1 . . . . 39 SER HA . 15160 1 417 . 1 1 39 39 SER HB2 H 1 3.862 0.020 . 1 . . . . 39 SER HB2 . 15160 1 418 . 1 1 39 39 SER HB3 H 1 3.862 0.020 . 1 . . . . 39 SER HB3 . 15160 1 419 . 1 1 39 39 SER CB C 13 64.683 0.400 . 1 . . . . 39 SER CB . 15160 1 420 . 1 1 39 39 SER N N 15 122.831 0.400 . 1 . . . . 39 SER N . 15160 1 stop_ save_