data_52414 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52414 _Entry.Title ; 1H-NMR assignments for the Z0 zinc-finger domain of transcription repressor Bcl11A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-04-16 _Entry.Accession_date 2024-04-16 _Entry.Last_release_date 2024-04-16 _Entry.Original_release_date 2024-04-16 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Andrei Alexandrescu . . . . 52414 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Independent investigator not part of a big science consortium' . 52414 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52414 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 34 52414 '1H chemical shifts' 193 52414 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 . . 2024-05-20 . original BMRB . 52414 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52414 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Solution structure of the Z0 domain from transcription repressor Bcl11A provides clues about protein-binding zinc finger sequences ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be determined' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Andrei Alexandrescu . . . . 52414 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52414 _Assembly.ID 1 _Assembly.Name Bcl11A-Z0 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 Z0 1 $entity_1 . . yes native no no . . . 52414 1 2 'ZINC ION' 2 $entity_ZN . . no native no no . . . 52414 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 'metal coordination' single . 1 . 1 CYS 3 3 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 52414 1 2 'metal coordination' single . 1 . 1 CYS 6 6 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 52414 1 3 'metal coordination' single . 1 . 1 HIS 21 21 ND1 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 52414 1 4 'metal coordination' single . 1 . 1 CYS 26 26 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 52414 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52414 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; LTCGQCQMNFPLGDILIFIE HKRKQCN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Corresponds to residues 46-72 of the human BCl11A sequence (UniProt ID: Q9H165)' _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 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 . LEU . 52414 1 2 . THR . 52414 1 3 . CYS . 52414 1 4 . GLY . 52414 1 5 . GLN . 52414 1 6 . CYS . 52414 1 7 . GLN . 52414 1 8 . MET . 52414 1 9 . ASN . 52414 1 10 . PHE . 52414 1 11 . PRO . 52414 1 12 . LEU . 52414 1 13 . GLY . 52414 1 14 . ASP . 52414 1 15 . ILE . 52414 1 16 . LEU . 52414 1 17 . ILE . 52414 1 18 . PHE . 52414 1 19 . ILE . 52414 1 20 . GLU . 52414 1 21 . HIS . 52414 1 22 . LYS . 52414 1 23 . ARG . 52414 1 24 . LYS . 52414 1 25 . GLN . 52414 1 26 . CYS . 52414 1 27 . ASN . 52414 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 . LEU 1 1 52414 1 . THR 2 2 52414 1 . CYS 3 3 52414 1 . GLY 4 4 52414 1 . GLN 5 5 52414 1 . CYS 6 6 52414 1 . GLN 7 7 52414 1 . MET 8 8 52414 1 . ASN 9 9 52414 1 . PHE 10 10 52414 1 . PRO 11 11 52414 1 . LEU 12 12 52414 1 . GLY 13 13 52414 1 . ASP 14 14 52414 1 . ILE 15 15 52414 1 . LEU 16 16 52414 1 . ILE 17 17 52414 1 . PHE 18 18 52414 1 . ILE 19 19 52414 1 . GLU 20 20 52414 1 . HIS 21 21 52414 1 . LYS 22 22 52414 1 . ARG 23 23 52414 1 . LYS 24 24 52414 1 . GLN 25 25 52414 1 . CYS 26 26 52414 1 . ASN 27 27 52414 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 52414 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 52414 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 52414 2 ZN 'Three letter code' 52414 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 52414 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52414 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52414 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52414 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . 52414 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 52414 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 52414 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 52414 ZN [Zn++] SMILES CACTVS 3.341 52414 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 52414 ZN [Zn+2] SMILES ACDLabs 10.04 52414 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 52414 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 52414 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 52414 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 52414 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 52414 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52414 _Sample.ID 1 _Sample.Name 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Bcl11A-Z0 'natural abundance' . . 1 $entity_1 . . 40 . . uM . . . . 52414 1 2 'ZINC ION' 'natural abundance' . . 2 $entity_ZN . . 600 . . uM . . . . 52414 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 52414 _Sample.ID 2 _Sample.Name 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Bcl11A-Z0 'natural abundance' . . 1 $entity_1 . . 40 . . uM . . . . 52414 2 2 'ZINC ION' 'natural abundance' . . 2 $entity_ZN . . 600 . . uM . . . . 52414 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 52414 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'H2O sample' _Sample_condition_list.Details 'sample 1' 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' 0.0006 . M 52414 1 pH 6.3 . pH 52414 1 pressure 1 . atm 52414 1 temperature 298 . K 52414 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 52414 _Sample_condition_list.ID 2 _Sample_condition_list.Name 'D2O sample' _Sample_condition_list.Details 'sample 2' 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' 0.0006 . M 52414 2 pH 5.8 . pH 52414 2 pressure 1 . atm 52414 2 temperature 298 . K 52414 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52414 _Software.ID 1 _Software.Type . _Software.Name VNMRj _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52414 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52414 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version 2.5.2 _Software.DOI . _Software.Details 'at the end project was transferred to version 3.1.0 to create the NEF file for deposition' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52414 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52414 _Software.ID 3 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version 3.8 _Software.DOI . _Software.Details 'With protein-4.0 parameters' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure solution' . 52414 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52414 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Varian 600 MHz with cryoprobe' _NMR_spectrometer.Details 'cryogenic probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52414 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no no no . . . . 1 . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52414 1 2 '2D 1H-1H TOCSY' no no no . . . . 1 . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52414 1 3 '2D 1H-13C HSQC' no no no . . . . 1 . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52414 1 4 '2D 1H-1H NOESY' no no no . . . . 1 . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52414 1 5 '2D 1H-1H NOESY' no no no . . . . 1 . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52414 1 6 '2D 1H-1H TOCSY' no no no . . . . 1 . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52414 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 52414 _Computing_platform.ID 1 _Computing_platform.Name NMRbox _Computing_platform.Reference_ID . _Computing_platform.Site 'University of Connecticut' _Computing_platform.Site_reference_ID . _Computing_platform.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52414 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name BCl11A_Z0.nef _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 52414 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1 . . . . . 52414 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52414 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Bcl11A-Z0 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 52414 1 2 '2D 1H-1H TOCSY' . . . 52414 1 3 '2D 1H-13C HSQC' . . . 52414 1 4 '2D 1H-1H NOESY' . . . 52414 1 5 '2D 1H-1H NOESY' . . . 52414 1 6 '2D 1H-1H TOCSY' . . . 52414 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 52414 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 LEU H H 1 8.136691121 0.004168126596 . 1 . . . . . 1 LEU H . 52414 1 2 . 1 . 1 1 1 LEU HA H 1 3.861967581 0.01225311142 . 1 . . . . . 1 LEU HA . 52414 1 3 . 1 . 1 1 1 LEU HB2 H 1 1.422729938 0.01750513862 . 1 . . . . . 1 LEU HB2 . 52414 1 4 . 1 . 1 1 1 LEU HB3 H 1 0.8600548853 0.009441547542 . 1 . . . . . 1 LEU HB3 . 52414 1 5 . 1 . 1 1 1 LEU HG H 1 1.28609839 0.003864344072 . 1 . . . . . 1 LEU HG . 52414 1 6 . 1 . 1 1 1 LEU HD11 H 1 0.5067465405 0.01519035389 . 2 . . . . . 1 LEU HD1# . 52414 1 7 . 1 . 1 1 1 LEU HD12 H 1 0.5067465405 0.01519035389 . 2 . . . . . 1 LEU HD1# . 52414 1 8 . 1 . 1 1 1 LEU HD13 H 1 0.5067465405 0.01519035389 . 2 . . . . . 1 LEU HD1# . 52414 1 9 . 1 . 1 1 1 LEU HD21 H 1 0.5613662093 0.006549118559 . 2 . . . . . 1 LEU HD2# . 52414 1 10 . 1 . 1 1 1 LEU HD22 H 1 0.5613662093 0.006549118559 . 2 . . . . . 1 LEU HD2# . 52414 1 11 . 1 . 1 1 1 LEU HD23 H 1 0.5613662093 0.006549118559 . 2 . . . . . 1 LEU HD2# . 52414 1 12 . 1 . 1 1 1 LEU CA C 13 53.47076515 0 . 1 . . . . . 1 LEU CA . 52414 1 13 . 1 . 1 1 1 LEU CD1 C 13 24.13277472 0 . 2 . . . . . 1 LEU CD1 . 52414 1 14 . 1 . 1 1 1 LEU CD2 C 13 23.0125476 0 . 2 . . . . . 1 LEU CD2 . 52414 1 15 . 1 . 1 2 2 THR H H 1 8.775022622 0.01720254392 . 1 . . . . . 2 THR H . 52414 1 16 . 1 . 1 2 2 THR HA H 1 5.231648288 0.02835492984 . 1 . . . . . 2 THR HA . 52414 1 17 . 1 . 1 2 2 THR HB H 1 3.715694421 0.00755078978 . 1 . . . . . 2 THR HB . 52414 1 18 . 1 . 1 2 2 THR HG21 H 1 0.9917697382 0.009322674861 . 1 . . . . . 2 THR HG2# . 52414 1 19 . 1 . 1 2 2 THR HG22 H 1 0.9917697382 0.009322674861 . 1 . . . . . 2 THR HG2# . 52414 1 20 . 1 . 1 2 2 THR HG23 H 1 0.9917697382 0.009322674861 . 1 . . . . . 2 THR HG2# . 52414 1 21 . 1 . 1 2 2 THR CA C 13 59.89309582 0 . 1 . . . . . 2 THR CA . 52414 1 22 . 1 . 1 2 2 THR CB C 13 71.79099826 0 . 1 . . . . . 2 THR CB . 52414 1 23 . 1 . 1 2 2 THR CG2 C 13 21.52387779 0 . 1 . . . . . 2 THR CG2 . 52414 1 24 . 1 . 1 3 3 CYS H H 1 9.151741267 0.002596653249 . 1 . . . . . 3 CYS H . 52414 1 25 . 1 . 1 3 3 CYS HA H 1 4.566007642 0.004076038716 . 1 . . . . . 3 CYS HA . 52414 1 26 . 1 . 1 3 3 CYS HB2 H 1 2.93337256 0.00532088751 . 1 . . . . . 3 CYS HB2 . 52414 1 27 . 1 . 1 3 3 CYS HB3 H 1 3.458630225 0.01484010527 . 1 . . . . . 3 CYS HB3 . 52414 1 28 . 1 . 1 3 3 CYS CB C 13 30.80485487 0 . 1 . . . . . 3 CYS CB . 52414 1 29 . 1 . 1 4 4 GLY H H 1 8.578352046 0.0005385377522 . 1 . . . . . 4 GLY H . 52414 1 30 . 1 . 1 4 4 GLY HA2 H 1 3.904264855 0.01342089665 . 2 . . . . . 4 GLY HA2 . 52414 1 31 . 1 . 1 4 4 GLY HA3 H 1 4.028305986 0.02750162024 . 2 . . . . . 4 GLY HA3 . 52414 1 32 . 1 . 1 4 4 GLY CA C 13 46.17327999 0.1734834194 . 1 . . . . . 4 GLY CA . 52414 1 33 . 1 . 1 5 5 GLN H H 1 8.947118982 0.008435308487 . 1 . . . . . 5 GLN H . 52414 1 34 . 1 . 1 5 5 GLN HA H 1 4.468618548 0.007313279221 . 1 . . . . . 5 GLN HA . 52414 1 35 . 1 . 1 5 5 GLN HB2 H 1 2.107961596 0.008998816466 . 2 . . . . . 5 GLN HB2 . 52414 1 36 . 1 . 1 5 5 GLN HB3 H 1 2.107961596 0.008998816466 . 2 . . . . . 5 GLN HB3 . 52414 1 37 . 1 . 1 5 5 GLN HG2 H 1 2.362683407 0.02118179415 . 2 . . . . . 5 GLN HG2 . 52414 1 38 . 1 . 1 5 5 GLN HG3 H 1 2.413432345 0.009476901129 . 2 . . . . . 5 GLN HG3 . 52414 1 39 . 1 . 1 5 5 GLN HE21 H 1 6.870979911 0 . 2 . . . . . 5 GLN HE21 . 52414 1 40 . 1 . 1 5 5 GLN HE22 H 1 7.549569778 0 . 2 . . . . . 5 GLN HE22 . 52414 1 41 . 1 . 1 6 6 CYS H H 1 8.016653915 0.006989836441 . 1 . . . . . 6 CYS H . 52414 1 42 . 1 . 1 6 6 CYS HA H 1 5.029485493 0.00289830121 . 1 . . . . . 6 CYS HA . 52414 1 43 . 1 . 1 6 6 CYS HB2 H 1 2.913090835 0.01333176153 . 1 . . . . . 6 CYS HB2 . 52414 1 44 . 1 . 1 6 6 CYS HB3 H 1 3.312049819 0.01715803593 . 1 . . . . . 6 CYS HB3 . 52414 1 45 . 1 . 1 7 7 GLN H H 1 7.94506518 0 . 1 . . . . . 7 GLN H . 52414 1 46 . 1 . 1 7 7 GLN HA H 1 4.258004758 0.03230428155 . 1 . . . . . 7 GLN HA . 52414 1 47 . 1 . 1 7 7 GLN HB2 H 1 2.063149298 0.003168456896 . 2 . . . . . 7 GLN HB2 . 52414 1 48 . 1 . 1 7 7 GLN HB3 H 1 2.063149298 0.003168456896 . 2 . . . . . 7 GLN HB3 . 52414 1 49 . 1 . 1 7 7 GLN HG2 H 1 2.309298324 0.002017455547 . 2 . . . . . 7 GLN HG2 . 52414 1 50 . 1 . 1 7 7 GLN HG3 H 1 2.309298324 0.002017455547 . 2 . . . . . 7 GLN HG3 . 52414 1 51 . 1 . 1 8 8 MET H H 1 7.991364717 0.005494758174 . 1 . . . . . 8 MET H . 52414 1 52 . 1 . 1 8 8 MET HA H 1 4.04413103 0.005825104763 . 1 . . . . . 8 MET HA . 52414 1 53 . 1 . 1 8 8 MET HB2 H 1 2.15407046 0.02300459359 . 1 . . . . . 8 MET HB2 . 52414 1 54 . 1 . 1 8 8 MET HB3 H 1 2.051732975 0.02170398032 . 1 . . . . . 8 MET HB3 . 52414 1 55 . 1 . 1 8 8 MET HG2 H 1 2.298268801 0.003366046155 . 2 . . . . . 8 MET HG2 . 52414 1 56 . 1 . 1 8 8 MET HG3 H 1 2.400245178 0.005138694507 . 2 . . . . . 8 MET HG3 . 52414 1 57 . 1 . 1 8 8 MET HE1 H 1 1.928930386 0 . 1 . . . . . 8 MET HE# . 52414 1 58 . 1 . 1 8 8 MET HE2 H 1 1.928930386 0 . 1 . . . . . 8 MET HE# . 52414 1 59 . 1 . 1 8 8 MET HE3 H 1 1.928930386 0 . 1 . . . . . 8 MET HE# . 52414 1 60 . 1 . 1 8 8 MET CB C 13 37.98430967 0.01822328476 . 1 . . . . . 8 MET CB . 52414 1 61 . 1 . 1 8 8 MET CE C 13 17.10972432 0 . 1 . . . . . 8 MET CE . 52414 1 62 . 1 . 1 9 9 ASN H H 1 8.673952967 0.001684900122 . 1 . . . . . 9 ASN H . 52414 1 63 . 1 . 1 9 9 ASN HA H 1 4.801671925 0.00168490012 . 1 . . . . . 9 ASN HA . 52414 1 64 . 1 . 1 9 9 ASN HB2 H 1 2.505284077 0.02243745439 . 2 . . . . . 9 ASN HB2 . 52414 1 65 . 1 . 1 9 9 ASN HB3 H 1 2.921658853 0.01019492047 . 2 . . . . . 9 ASN HB3 . 52414 1 66 . 1 . 1 10 10 PHE H H 1 8.228465927 0.02972329343 . 1 . . . . . 10 PHE H . 52414 1 67 . 1 . 1 10 10 PHE HA H 1 5.262891044 0.02292885806 . 1 . . . . . 10 PHE HA . 52414 1 68 . 1 . 1 10 10 PHE HB2 H 1 2.537545452 0.01261242575 . 2 . . . . . 10 PHE HB2 . 52414 1 69 . 1 . 1 10 10 PHE HB3 H 1 2.916942077 0.0217830106 . 2 . . . . . 10 PHE HB3 . 52414 1 70 . 1 . 1 10 10 PHE HD1 H 1 7.12155059 0.005334172086 . 3 . . . . . 10 PHE HD# . 52414 1 71 . 1 . 1 10 10 PHE HD2 H 1 7.12155059 0.005334172086 . 3 . . . . . 10 PHE HD# . 52414 1 72 . 1 . 1 10 10 PHE HE1 H 1 6.897463827 0.003856177163 . 3 . . . . . 10 PHE HE# . 52414 1 73 . 1 . 1 10 10 PHE HE2 H 1 6.897463827 0.003856177163 . 3 . . . . . 10 PHE HE# . 52414 1 74 . 1 . 1 10 10 PHE HZ H 1 6.272266505 0.004723796677 . 1 . . . . . 10 PHE HZ . 52414 1 75 . 1 . 1 10 10 PHE CA C 13 51.89483031 0 . 1 . . . . . 10 PHE CA . 52414 1 76 . 1 . 1 10 10 PHE CB C 13 40.57975532 0.004409648991 . 1 . . . . . 10 PHE CB . 52414 1 77 . 1 . 1 11 11 PRO HA H 1 4.450015935 0.003849570974 . 1 . . . . . 11 PRO HA . 52414 1 78 . 1 . 1 11 11 PRO HB2 H 1 2.307316252 0.004290076009 . 2 . . . . . 11 PRO HB2 . 52414 1 79 . 1 . 1 11 11 PRO HB3 H 1 2.334071243 0.007225290801 . 2 . . . . . 11 PRO HB3 . 52414 1 80 . 1 . 1 11 11 PRO HG2 H 1 1.932985988 0.005815730795 . 2 . . . . . 11 PRO HG2 . 52414 1 81 . 1 . 1 11 11 PRO HG3 H 1 2.00443968 0.01926482297 . 2 . . . . . 11 PRO HG3 . 52414 1 82 . 1 . 1 11 11 PRO HD2 H 1 3.74909067 0.004789664434 . 2 . . . . . 11 PRO HD2 . 52414 1 83 . 1 . 1 11 11 PRO HD3 H 1 3.906042145 0.00490034094 . 2 . . . . . 11 PRO HD3 . 52414 1 84 . 1 . 1 11 11 PRO CB C 13 33.99263668 0 . 1 . . . . . 11 PRO CB . 52414 1 85 . 1 . 1 12 12 LEU H H 1 7.994238598 0.006979666818 . 1 . . . . . 12 LEU H . 52414 1 86 . 1 . 1 12 12 LEU HA H 1 4.093402829 0.005337340189 . 1 . . . . . 12 LEU HA . 52414 1 87 . 1 . 1 12 12 LEU HB2 H 1 1.442131363 0.009628312386 . 1 . . . . . 12 LEU HB2 . 52414 1 88 . 1 . 1 12 12 LEU HB3 H 1 1.793768244 0 . 1 . . . . . 12 LEU HB3 . 52414 1 89 . 1 . 1 12 12 LEU HG H 1 1.296018226 0 . 1 . . . . . 12 LEU HG . 52414 1 90 . 1 . 1 12 12 LEU HD11 H 1 0.9450047618 0.006412392369 . 2 . . . . . 12 LEU HD1# . 52414 1 91 . 1 . 1 12 12 LEU HD12 H 1 0.9450047618 0.006412392369 . 2 . . . . . 12 LEU HD1# . 52414 1 92 . 1 . 1 12 12 LEU HD13 H 1 0.9450047618 0.006412392369 . 2 . . . . . 12 LEU HD1# . 52414 1 93 . 1 . 1 12 12 LEU HD21 H 1 1.148454498 0.0002848213505 . 2 . . . . . 12 LEU HD2# . 52414 1 94 . 1 . 1 12 12 LEU HD22 H 1 1.148454498 0.0002848213505 . 2 . . . . . 12 LEU HD2# . 52414 1 95 . 1 . 1 12 12 LEU HD23 H 1 1.148454498 0.0002848213505 . 2 . . . . . 12 LEU HD2# . 52414 1 96 . 1 . 1 12 12 LEU CD1 C 13 24.55959921 0 . 2 . . . . . 12 LEU CD1 . 52414 1 97 . 1 . 1 12 12 LEU CD2 C 13 24.55959921 0 . 2 . . . . . 12 LEU CD2 . 52414 1 98 . 1 . 1 13 13 GLY H H 1 8.467357782 0.01830172664 . 1 . . . . . 13 GLY H . 52414 1 99 . 1 . 1 13 13 GLY HA2 H 1 4.090796427 0.00772439436 . 2 . . . . . 13 GLY HA2 . 52414 1 100 . 1 . 1 14 14 ASP H H 1 7.618757483 0.0221187018 . 1 . . . . . 14 ASP H . 52414 1 101 . 1 . 1 14 14 ASP HA H 1 4.453404221 0.005551285087 . 1 . . . . . 14 ASP HA . 52414 1 102 . 1 . 1 14 14 ASP HB2 H 1 2.627665596 0.02723779695 . 2 . . . . . 14 ASP HB2 . 52414 1 103 . 1 . 1 14 14 ASP HB3 H 1 2.70286894 0.008674917133 . 2 . . . . . 14 ASP HB3 . 52414 1 104 . 1 . 1 15 15 ILE H H 1 7.786103056 0.006205347374 . 1 . . . . . 15 ILE H . 52414 1 105 . 1 . 1 15 15 ILE HA H 1 4.02089488 0.0139092866 . 1 . . . . . 15 ILE HA . 52414 1 106 . 1 . 1 15 15 ILE HB H 1 1.821737031 0.009495289476 . 1 . . . . . 15 ILE HB . 52414 1 107 . 1 . 1 15 15 ILE HG12 H 1 1.014502543 0.01366101192 . 2 . . . . . 15 ILE HG12 . 52414 1 108 . 1 . 1 15 15 ILE HG13 H 1 1.644103347 0.01276906287 . 2 . . . . . 15 ILE HG13 . 52414 1 109 . 1 . 1 15 15 ILE HG21 H 1 0.9747264825 0.02509799768 . 1 . . . . . 15 ILE HG2# . 52414 1 110 . 1 . 1 15 15 ILE HG22 H 1 0.9747264825 0.02509799768 . 1 . . . . . 15 ILE HG2# . 52414 1 111 . 1 . 1 15 15 ILE HG23 H 1 0.9747264825 0.02509799768 . 1 . . . . . 15 ILE HG2# . 52414 1 112 . 1 . 1 15 15 ILE HD11 H 1 0.9165593295 0.01702825689 . 1 . . . . . 15 ILE HD1# . 52414 1 113 . 1 . 1 15 15 ILE HD12 H 1 0.9165593295 0.01702825689 . 1 . . . . . 15 ILE HD1# . 52414 1 114 . 1 . 1 15 15 ILE HD13 H 1 0.9165593295 0.01702825689 . 1 . . . . . 15 ILE HD1# . 52414 1 115 . 1 . 1 15 15 ILE CG2 C 13 17.96324771 0 . 1 . . . . . 15 ILE CG2 . 52414 1 116 . 1 . 1 16 16 LEU H H 1 8.470147978 0.00839188641 . 1 . . . . . 16 LEU H . 52414 1 117 . 1 . 1 16 16 LEU HA H 1 4.112857925 0.005973287781 . 1 . . . . . 16 LEU HA . 52414 1 118 . 1 . 1 16 16 LEU HB2 H 1 1.750071663 0.01197580268 . 1 . . . . . 16 LEU HB2 . 52414 1 119 . 1 . 1 16 16 LEU HB3 H 1 1.837317404 0.01789397577 . 1 . . . . . 16 LEU HB3 . 52414 1 120 . 1 . 1 16 16 LEU HG H 1 1.501468901 0.03541249698 . 1 . . . . . 16 LEU HG . 52414 1 121 . 1 . 1 16 16 LEU HD11 H 1 0.8993828897 0.004936881009 . 2 . . . . . 16 LEU HD1# . 52414 1 122 . 1 . 1 16 16 LEU HD12 H 1 0.8993828897 0.004936881009 . 2 . . . . . 16 LEU HD1# . 52414 1 123 . 1 . 1 16 16 LEU HD13 H 1 0.8993828897 0.004936881009 . 2 . . . . . 16 LEU HD1# . 52414 1 124 . 1 . 1 16 16 LEU HD21 H 1 0.9890451021 0.02834971371 . 2 . . . . . 16 LEU HD2# . 52414 1 125 . 1 . 1 16 16 LEU HD22 H 1 0.9890451021 0.02834971371 . 2 . . . . . 16 LEU HD2# . 52414 1 126 . 1 . 1 16 16 LEU HD23 H 1 0.9890451021 0.02834971371 . 2 . . . . . 16 LEU HD2# . 52414 1 127 . 1 . 1 16 16 LEU CG C 13 28.5525646 0 . 1 . . . . . 16 LEU CG . 52414 1 128 . 1 . 1 16 16 LEU CD1 C 13 23.68026894 0 . 2 . . . . . 16 LEU CD1 . 52414 1 129 . 1 . 1 16 16 LEU CD2 C 13 23.68026894 0 . 2 . . . . . 16 LEU CD2 . 52414 1 130 . 1 . 1 17 17 ILE H H 1 7.487347059 0.005315342203 . 1 . . . . . 17 ILE H . 52414 1 131 . 1 . 1 17 17 ILE HA H 1 3.841450949 0.006884826435 . 1 . . . . . 17 ILE HA . 52414 1 132 . 1 . 1 17 17 ILE HB H 1 2.126851128 0.01387941815 . 1 . . . . . 17 ILE HB . 52414 1 133 . 1 . 1 17 17 ILE HG12 H 1 1.145810419 0.01055120172 . 2 . . . . . 17 ILE HG12 . 52414 1 134 . 1 . 1 17 17 ILE HG13 H 1 1.145810419 0.01055120172 . 2 . . . . . 17 ILE HG13 . 52414 1 135 . 1 . 1 17 17 ILE HG21 H 1 0.9619513293 0.03923892124 . 1 . . . . . 17 ILE HG2# . 52414 1 136 . 1 . 1 17 17 ILE HG22 H 1 0.9619513293 0.03923892124 . 1 . . . . . 17 ILE HG2# . 52414 1 137 . 1 . 1 17 17 ILE HG23 H 1 0.9619513293 0.03923892124 . 1 . . . . . 17 ILE HG2# . 52414 1 138 . 1 . 1 17 17 ILE HD11 H 1 0.8258680764 0.03114080361 . 1 . . . . . 17 ILE HD1# . 52414 1 139 . 1 . 1 17 17 ILE HD12 H 1 0.8258680764 0.03114080361 . 1 . . . . . 17 ILE HD1# . 52414 1 140 . 1 . 1 17 17 ILE HD13 H 1 0.8258680764 0.03114080361 . 1 . . . . . 17 ILE HD1# . 52414 1 141 . 1 . 1 17 17 ILE CG2 C 13 17.60544731 0 . 1 . . . . . 17 ILE CG2 . 52414 1 142 . 1 . 1 17 17 ILE CD1 C 13 13.07901667 0 . 1 . . . . . 17 ILE CD1 . 52414 1 143 . 1 . 1 18 18 PHE H H 1 8.397392115 0.007693752315 . 1 . . . . . 18 PHE H . 52414 1 144 . 1 . 1 18 18 PHE HA H 1 3.323491531 0.008155363492 . 1 . . . . . 18 PHE HA . 52414 1 145 . 1 . 1 18 18 PHE HB2 H 1 2.326124307 0.009469819888 . 1 . . . . . 18 PHE HB2 . 52414 1 146 . 1 . 1 18 18 PHE HB3 H 1 3.085746993 0.01312054096 . 1 . . . . . 18 PHE HB3 . 52414 1 147 . 1 . 1 18 18 PHE HD1 H 1 6.697297823 0.01408901191 . 3 . . . . . 18 PHE HD# . 52414 1 148 . 1 . 1 18 18 PHE HD2 H 1 6.697297823 0.01408901191 . 3 . . . . . 18 PHE HD# . 52414 1 149 . 1 . 1 18 18 PHE HE1 H 1 7.139293332 0.01182510576 . 3 . . . . . 18 PHE HE# . 52414 1 150 . 1 . 1 18 18 PHE HE2 H 1 7.139293332 0.01182510576 . 3 . . . . . 18 PHE HE# . 52414 1 151 . 1 . 1 18 18 PHE HZ H 1 7.340415915 0.004172318327 . 1 . . . . . 18 PHE HZ . 52414 1 152 . 1 . 1 19 19 ILE H H 1 8.404042146 0.006640096457 . 1 . . . . . 19 ILE H . 52414 1 153 . 1 . 1 19 19 ILE HA H 1 3.3268161 0.01515054977 . 1 . . . . . 19 ILE HA . 52414 1 154 . 1 . 1 19 19 ILE HB H 1 1.844285886 0.02992527857 . 1 . . . . . 19 ILE HB . 52414 1 155 . 1 . 1 19 19 ILE HG12 H 1 1.213514153 0.01504371092 . 2 . . . . . 19 ILE HG12 . 52414 1 156 . 1 . 1 19 19 ILE HG13 H 1 1.213514153 0.01504371092 . 2 . . . . . 19 ILE HG13 . 52414 1 157 . 1 . 1 19 19 ILE HG21 H 1 0.8749358915 0.0009213345729 . 1 . . . . . 19 ILE HG2# . 52414 1 158 . 1 . 1 19 19 ILE HG22 H 1 0.8749358915 0.0009213345729 . 1 . . . . . 19 ILE HG2# . 52414 1 159 . 1 . 1 19 19 ILE HG23 H 1 0.8749358915 0.0009213345729 . 1 . . . . . 19 ILE HG2# . 52414 1 160 . 1 . 1 19 19 ILE HD11 H 1 0.9631081154 0 . 1 . . . . . 19 ILE HD1# . 52414 1 161 . 1 . 1 19 19 ILE HD12 H 1 0.9631081154 0 . 1 . . . . . 19 ILE HD1# . 52414 1 162 . 1 . 1 19 19 ILE HD13 H 1 0.9631081154 0 . 1 . . . . . 19 ILE HD1# . 52414 1 163 . 1 . 1 19 19 ILE CB C 13 37.74740697 0 . 1 . . . . . 19 ILE CB . 52414 1 164 . 1 . 1 19 19 ILE CG1 C 13 29.64196438 0 . 1 . . . . . 19 ILE CG1 . 52414 1 165 . 1 . 1 19 19 ILE CG2 C 13 17.2476469 0 . 1 . . . . . 19 ILE CG2 . 52414 1 166 . 1 . 1 19 19 ILE CD1 C 13 13.30369161 0 . 1 . . . . . 19 ILE CD1 . 52414 1 167 . 1 . 1 20 20 GLU H H 1 7.673680612 0.01745632365 . 1 . . . . . 20 GLU H . 52414 1 168 . 1 . 1 20 20 GLU HA H 1 4.090148856 0.009167759727 . 1 . . . . . 20 GLU HA . 52414 1 169 . 1 . 1 20 20 GLU HB2 H 1 2.03604681 0.007901944015 . 2 . . . . . 20 GLU HB2 . 52414 1 170 . 1 . 1 20 20 GLU HB3 H 1 2.106495674 0.009447216539 . 2 . . . . . 20 GLU HB3 . 52414 1 171 . 1 . 1 20 20 GLU HG2 H 1 2.274537271 0 . 2 . . . . . 20 GLU HG2 . 52414 1 172 . 1 . 1 20 20 GLU HG3 H 1 2.274537271 0 . 2 . . . . . 20 GLU HG3 . 52414 1 173 . 1 . 1 21 21 HIS H H 1 7.888310775 0.01366050567 . 1 . . . . . 21 HIS H . 52414 1 174 . 1 . 1 21 21 HIS HA H 1 5.009648375 0.02231516748 . 1 . . . . . 21 HIS HA . 52414 1 175 . 1 . 1 21 21 HIS HB2 H 1 2.722327265 0.03357430046 . 1 . . . . . 21 HIS HB2 . 52414 1 176 . 1 . 1 21 21 HIS HB3 H 1 3.166240704 0.01536114811 . 1 . . . . . 21 HIS HB3 . 52414 1 177 . 1 . 1 21 21 HIS HD2 H 1 6.787870402 0.00382896473 . 1 . . . . . 21 HIS HD2 . 52414 1 178 . 1 . 1 21 21 HIS HE1 H 1 8.016769823 0.006574868526 . 1 . . . . . 21 HIS HE1 . 52414 1 179 . 1 . 1 21 21 HIS CA C 13 58.88629087 0 . 1 . . . . . 21 HIS CA . 52414 1 180 . 1 . 1 21 21 HIS CB C 13 28.60193702 0 . 1 . . . . . 21 HIS CB . 52414 1 181 . 1 . 1 22 22 LYS H H 1 7.67862446 0.01517129391 . 1 . . . . . 22 LYS H . 52414 1 182 . 1 . 1 22 22 LYS HA H 1 4.328376336 0.007917520757 . 1 . . . . . 22 LYS HA . 52414 1 183 . 1 . 1 22 22 LYS HB2 H 1 1.652019795 0.004234403672 . 1 . . . . . 22 LYS HB2 . 52414 1 184 . 1 . 1 22 22 LYS HB3 H 1 1.726786495 0.01427428505 . 1 . . . . . 22 LYS HB3 . 52414 1 185 . 1 . 1 22 22 LYS HG2 H 1 1.360163719 0.004659325504 . 2 . . . . . 22 LYS HG2 . 52414 1 186 . 1 . 1 22 22 LYS HG3 H 1 1.464145508 0.008732130699 . 2 . . . . . 22 LYS HG3 . 52414 1 187 . 1 . 1 22 22 LYS HD2 H 1 1.653117186 0.004858773638 . 2 . . . . . 22 LYS HD2 . 52414 1 188 . 1 . 1 22 22 LYS HD3 H 1 1.831427347 0.01448062069 . 2 . . . . . 22 LYS HD3 . 52414 1 189 . 1 . 1 22 22 LYS HE2 H 1 2.939541676 0.001590408623 . 2 . . . . . 22 LYS HE2 . 52414 1 190 . 1 . 1 22 22 LYS HE3 H 1 2.939541676 0.001590408622 . 2 . . . . . 22 LYS HE3 . 52414 1 191 . 1 . 1 22 22 LYS CE C 13 41.52897803 0 . 1 . . . . . 22 LYS CE . 52414 1 192 . 1 . 1 23 23 ARG H H 1 7.970541249 0.01077320161 . 1 . . . . . 23 ARG H . 52414 1 193 . 1 . 1 23 23 ARG HA H 1 4.240287616 0.006455671633 . 1 . . . . . 23 ARG HA . 52414 1 194 . 1 . 1 23 23 ARG HB2 H 1 2.055829287 0.01090191921 . 2 . . . . . 23 ARG HB2 . 52414 1 195 . 1 . 1 23 23 ARG HB3 H 1 2.312456956 0.002185457897 . 2 . . . . . 23 ARG HB3 . 52414 1 196 . 1 . 1 23 23 ARG HG2 H 1 1.507559441 0.02780630002 . 2 . . . . . 23 ARG HG2 . 52414 1 197 . 1 . 1 23 23 ARG HG3 H 1 1.654000877 0.008324986007 . 2 . . . . . 23 ARG HG3 . 52414 1 198 . 1 . 1 23 23 ARG HD2 H 1 2.946988331 0.004681033616 . 2 . . . . . 23 ARG HD2 . 52414 1 199 . 1 . 1 23 23 ARG HD3 H 1 2.946988331 0.004681033616 . 2 . . . . . 23 ARG HD3 . 52414 1 200 . 1 . 1 23 23 ARG CA C 13 56.71302584 0 . 1 . . . . . 23 ARG CA . 52414 1 201 . 1 . 1 23 23 ARG CB C 13 28.71233148 0.06145276045 . 1 . . . . . 23 ARG CB . 52414 1 202 . 1 . 1 24 24 LYS H H 1 7.686829143 0.01362800829 . 1 . . . . . 24 LYS H . 52414 1 203 . 1 . 1 24 24 LYS HA H 1 4.031280705 0.01009896104 . 1 . . . . . 24 LYS HA . 52414 1 204 . 1 . 1 24 24 LYS HB2 H 1 1.740915616 0.01121312442 . 1 . . . . . 24 LYS HB2 . 52414 1 205 . 1 . 1 24 24 LYS HB3 H 1 1.890177302 0.0007149382883 . 1 . . . . . 24 LYS HB3 . 52414 1 206 . 1 . 1 24 24 LYS HG2 H 1 1.174059211 0.01415273124 . 2 . . . . . 24 LYS HG2 . 52414 1 207 . 1 . 1 24 24 LYS HG3 H 1 1.334448923 0 . 2 . . . . . 24 LYS HG3 . 52414 1 208 . 1 . 1 24 24 LYS HD2 H 1 1.595992392 0 . 2 . . . . . 24 LYS HD2 . 52414 1 209 . 1 . 1 24 24 LYS HD3 H 1 1.642219637 0 . 2 . . . . . 24 LYS HD3 . 52414 1 210 . 1 . 1 24 24 LYS CA C 13 57.93639753 0 . 1 . . . . . 24 LYS CA . 52414 1 211 . 1 . 1 25 25 GLN H H 1 8.407466795 0.01206076688 . 1 . . . . . 25 GLN H . 52414 1 212 . 1 . 1 25 25 GLN HA H 1 4.10341464 0.004243405283 . 1 . . . . . 25 GLN HA . 52414 1 213 . 1 . 1 25 25 GLN HB2 H 1 2.041231922 0.00352992427 . 2 . . . . . 25 GLN HB2 . 52414 1 214 . 1 . 1 25 25 GLN HB3 H 1 2.103421384 0.01807202466 . 2 . . . . . 25 GLN HB3 . 52414 1 215 . 1 . 1 25 25 GLN HG2 H 1 2.334240935 0.004430272977 . 2 . . . . . 25 GLN HG2 . 52414 1 216 . 1 . 1 25 25 GLN HG3 H 1 2.338671208 0 . 2 . . . . . 25 GLN HG3 . 52414 1 217 . 1 . 1 26 26 CYS H H 1 8.154026283 0.005052007074 . 1 . . . . . 26 CYS H . 52414 1 218 . 1 . 1 26 26 CYS HA H 1 4.180317435 0.003679514454 . 1 . . . . . 26 CYS HA . 52414 1 219 . 1 . 1 26 26 CYS HB2 H 1 3.202511688 0.008138980678 . 1 . . . . . 26 CYS HB2 . 52414 1 220 . 1 . 1 26 26 CYS HB3 H 1 3.485241934 0.01218729878 . 1 . . . . . 26 CYS HB3 . 52414 1 221 . 1 . 1 26 26 CYS CA C 13 59.16084512 0 . 1 . . . . . 26 CYS CA . 52414 1 222 . 1 . 1 26 26 CYS CB C 13 27.31968674 0.03556294008 . 1 . . . . . 26 CYS CB . 52414 1 223 . 1 . 1 27 27 ASN H H 1 7.699304123 0.01220500391 . 1 . . . . . 27 ASN H . 52414 1 224 . 1 . 1 27 27 ASN HA H 1 4.009236724 0 . 1 . . . . . 27 ASN HA . 52414 1 225 . 1 . 1 27 27 ASN HB2 H 1 2.635186683 0.0170851424 . 2 . . . . . 27 ASN HB2 . 52414 1 226 . 1 . 1 27 27 ASN HB3 H 1 2.69675075 0.006323919503 . 2 . . . . . 27 ASN HB3 . 52414 1 227 . 1 . 1 27 27 ASN CB C 13 40.59251019 0.08582261056 . 1 . . . . . 27 ASN CB . 52414 1 stop_ save_