data_52308 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52308 _Entry.Title ; Backbone chemical shift assignments of human ZNF706 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-02-05 _Entry.Accession_date 2024-02-05 _Entry.Last_release_date 2024-02-05 _Entry.Original_release_date 2024-02-05 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Backbone 1H, 13C,and 15N chemical shift assignments for human ZNF706' _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 Bikash Sahoo . R. . 0000-0002-3683-1178 52308 2 James Bardwell . C.A. . 0000-0003-1683-1944 52308 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52308 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 178 52308 '15N chemical shifts' 62 52308 '1H chemical shifts' 62 52308 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 . . 2024-04-17 . original BMRB . 52308 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52308 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37790366 _Citation.DOI 10.1101/2023.09.21.558871 _Citation.Full_citation . _Citation.Title ; Effects of protein G-quadruplex interactions on phase transitions and protein aggregation. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev bioRxiv _Citation.Journal_name_full 'bioRxiv : the preprint server for biology' _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 2023 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Bikash Sahoo B. R. . . 52308 1 2 Vojc Kocman V. . . . 52308 1 3 Nathan Clark N. . . . 52308 1 4 Nikhil Myers N. . . . 52308 1 5 Xiexiong Deng X. . . . 52308 1 6 Ee Wong E. L. . . 52308 1 7 Harry Yang H. J. . . 52308 1 8 Anita Kotar A. . . . 52308 1 9 Bryan Guzman B. B. . . 52308 1 10 Daniel Dominguez D. . . . 52308 1 11 Janez Plavec J. . . . 52308 1 12 James Bardwell . . . . 52308 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52308 _Assembly.ID 1 _Assembly.Name 'Human ZNF706' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 'Human ZNF706' 1 $entity_1 . . yes native no no . . . 52308 1 2 'ZINC ION' 2 $entity_ZN . . no native no no . . . 52308 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52308 _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 ; MARGQQKIQSQQKNAKKQAG QKKKQGHDQKAAAKAALIYT CTVCRTQMPDPKTFKQHFES KHPKTPLPPELADVQA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers 76 _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 8498 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Human ZNF706 has a CCHH zinc finger that coordinates zinc.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes UNP Q9Y5V0 . ZN706_HUMAN . . . . . . . . . . . . . . 52308 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Transcription repressor' 52308 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 . MET . 52308 1 2 . ALA . 52308 1 3 . ARG . 52308 1 4 . GLY . 52308 1 5 . GLN . 52308 1 6 . GLN . 52308 1 7 . LYS . 52308 1 8 . ILE . 52308 1 9 . GLN . 52308 1 10 . SER . 52308 1 11 . GLN . 52308 1 12 . GLN . 52308 1 13 . LYS . 52308 1 14 . ASN . 52308 1 15 . ALA . 52308 1 16 . LYS . 52308 1 17 . LYS . 52308 1 18 . GLN . 52308 1 19 . ALA . 52308 1 20 . GLY . 52308 1 21 . GLN . 52308 1 22 . LYS . 52308 1 23 . LYS . 52308 1 24 . LYS . 52308 1 25 . GLN . 52308 1 26 . GLY . 52308 1 27 . HIS . 52308 1 28 . ASP . 52308 1 29 . GLN . 52308 1 30 . LYS . 52308 1 31 . ALA . 52308 1 32 . ALA . 52308 1 33 . ALA . 52308 1 34 . LYS . 52308 1 35 . ALA . 52308 1 36 . ALA . 52308 1 37 . LEU . 52308 1 38 . ILE . 52308 1 39 . TYR . 52308 1 40 . THR . 52308 1 41 . CYS . 52308 1 42 . THR . 52308 1 43 . VAL . 52308 1 44 . CYS . 52308 1 45 . ARG . 52308 1 46 . THR . 52308 1 47 . GLN . 52308 1 48 . MET . 52308 1 49 . PRO . 52308 1 50 . ASP . 52308 1 51 . PRO . 52308 1 52 . LYS . 52308 1 53 . THR . 52308 1 54 . PHE . 52308 1 55 . LYS . 52308 1 56 . GLN . 52308 1 57 . HIS . 52308 1 58 . PHE . 52308 1 59 . GLU . 52308 1 60 . SER . 52308 1 61 . LYS . 52308 1 62 . HIS . 52308 1 63 . PRO . 52308 1 64 . LYS . 52308 1 65 . THR . 52308 1 66 . PRO . 52308 1 67 . LEU . 52308 1 68 . PRO . 52308 1 69 . PRO . 52308 1 70 . GLU . 52308 1 71 . LEU . 52308 1 72 . ALA . 52308 1 73 . ASP . 52308 1 74 . VAL . 52308 1 75 . GLN . 52308 1 76 . ALA . 52308 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 . MET 1 1 52308 1 . ALA 2 2 52308 1 . ARG 3 3 52308 1 . GLY 4 4 52308 1 . GLN 5 5 52308 1 . GLN 6 6 52308 1 . LYS 7 7 52308 1 . ILE 8 8 52308 1 . GLN 9 9 52308 1 . SER 10 10 52308 1 . GLN 11 11 52308 1 . GLN 12 12 52308 1 . LYS 13 13 52308 1 . ASN 14 14 52308 1 . ALA 15 15 52308 1 . LYS 16 16 52308 1 . LYS 17 17 52308 1 . GLN 18 18 52308 1 . ALA 19 19 52308 1 . GLY 20 20 52308 1 . GLN 21 21 52308 1 . LYS 22 22 52308 1 . LYS 23 23 52308 1 . LYS 24 24 52308 1 . GLN 25 25 52308 1 . GLY 26 26 52308 1 . HIS 27 27 52308 1 . ASP 28 28 52308 1 . GLN 29 29 52308 1 . LYS 30 30 52308 1 . ALA 31 31 52308 1 . ALA 32 32 52308 1 . ALA 33 33 52308 1 . LYS 34 34 52308 1 . ALA 35 35 52308 1 . ALA 36 36 52308 1 . LEU 37 37 52308 1 . ILE 38 38 52308 1 . TYR 39 39 52308 1 . THR 40 40 52308 1 . CYS 41 41 52308 1 . THR 42 42 52308 1 . VAL 43 43 52308 1 . CYS 44 44 52308 1 . ARG 45 45 52308 1 . THR 46 46 52308 1 . GLN 47 47 52308 1 . MET 48 48 52308 1 . PRO 49 49 52308 1 . ASP 50 50 52308 1 . PRO 51 51 52308 1 . LYS 52 52 52308 1 . THR 53 53 52308 1 . PHE 54 54 52308 1 . LYS 55 55 52308 1 . GLN 56 56 52308 1 . HIS 57 57 52308 1 . PHE 58 58 52308 1 . GLU 59 59 52308 1 . SER 60 60 52308 1 . LYS 61 61 52308 1 . HIS 62 62 52308 1 . PRO 63 63 52308 1 . LYS 64 64 52308 1 . THR 65 65 52308 1 . PRO 66 66 52308 1 . LEU 67 67 52308 1 . PRO 68 68 52308 1 . PRO 69 69 52308 1 . GLU 70 70 52308 1 . LEU 71 71 52308 1 . ALA 72 72 52308 1 . ASP 73 73 52308 1 . VAL 74 74 52308 1 . GLN 75 75 52308 1 . ALA 76 76 52308 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 52308 _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 52308 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 52308 2 ZN 'Three letter code' 52308 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 52308 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 52308 _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 . . . . . . . . . . . . . 52308 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 52308 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . plasmid . . pET28 . . . 52308 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 52308 _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 52308 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 52308 ZN [Zn++] SMILES CACTVS 3.341 52308 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 52308 ZN [Zn+2] SMILES ACDLabs 10.04 52308 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 52308 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 52308 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 52308 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 52308 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 . 52308 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52308 _Sample.ID 1 _Sample.Name 'Human Znf706' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '20 mM sodium phosphate (pH 7.4), 20 mM NaCl, 7.5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Human ZNF706' [U-15N] . . 1 $entity_1 . . 750 . . uM . . . . 52308 1 2 'Human ZNF706' [U-13C] . . 1 $entity_1 . . 750 . . uM . . . . 52308 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 52308 1 4 NaCl 'natural abundance' . . . . . . 20 . . mM . . . . 52308 1 5 D2O [U-2H] . . . . . . 7.5 . . % . . . . 52308 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 52308 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Human Znf706 in 20 mM sodium phosphate, pH 7.4, 20 mM NaCl, at 277.1 K' _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' 0.02 . M 52308 1 pH 7.4 . pH 52308 1 pressure 1 . atm 52308 1 temperature 277.1 . K 52308 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52308 _Software.ID 1 _Software.Type . _Software.Name 'TopSpin, NMRFAM-SPARKY' _Software.Version '4.1.4; 1.470' _Software.DOI . _Software.Details 'TopSpin 4.1.4, NMRFAM-SPARKY 1.470' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52308 1 collection . 52308 1 'data analysis' . 52308 1 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 52308 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 800 MHz Neo' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 52308 _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-13C HSQC' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52308 1 2 '2D 1H-15N TROSY' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52308 1 3 '3D CBCACONH' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52308 1 4 '3D CBCANH' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52308 1 5 '3D HNCO' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52308 1 6 '3D HNCA' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52308 1 7 '3D HN(CA)CO' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52308 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52308 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect . . . . . . 52308 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 52308 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect . . . . . . 52308 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 52308 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Human ZNF706' _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-13C HSQC' . . . 52308 1 2 '2D 1H-15N TROSY' . . . 52308 1 3 '3D CBCACONH' . . . 52308 1 4 '3D CBCANH' . . . 52308 1 5 '3D HNCO' . . . 52308 1 6 '3D HNCA' . . . 52308 1 7 '3D HN(CA)CO' . . . 52308 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52308 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 2 2 ALA H H 1 8.197 . . . . . . . . 2 A HN . 52308 1 2 . 1 . 1 2 2 ALA C C 13 174.921 . . . . . . . . 2 A C . 52308 1 3 . 1 . 1 2 2 ALA CA C 13 49.615 . . . . . . . . 2 A CA . 52308 1 4 . 1 . 1 2 2 ALA CB C 13 15.971 . . . . . . . . 2 A CB . 52308 1 5 . 1 . 1 2 2 ALA N N 15 126.431 . . . . . . . . 2 A N . 52308 1 6 . 1 . 1 3 3 ARG H H 1 8.186 . . . . . . . . 3 R HN . 52308 1 7 . 1 . 1 3 3 ARG C C 13 174.351 . . . . . . . . 3 R C . 52308 1 8 . 1 . 1 3 3 ARG CA C 13 53.581 . . . . . . . . 3 R CA . 52308 1 9 . 1 . 1 3 3 ARG CB C 13 27.722 . . . . . . . . 3 R CB . 52308 1 10 . 1 . 1 3 3 ARG N N 15 121.446 . . . . . . . . 3 R N . 52308 1 11 . 1 . 1 4 4 GLY H H 1 8.280 . . . . . . . . 4 G HN . 52308 1 12 . 1 . 1 4 4 GLY C C 13 175.219 . . . . . . . . 4 G C . 52308 1 13 . 1 . 1 4 4 GLY CA C 13 42.411 . . . . . . . . 4 G CA . 52308 1 14 . 1 . 1 4 4 GLY N N 15 110.475 . . . . . . . . 4 G N . 52308 1 15 . 1 . 1 5 5 GLN H H 1 7.984 . . . . . . . . 5 Q HN . 52308 1 16 . 1 . 1 5 5 GLN C C 13 173.337 . . . . . . . . 5 Q C . 52308 1 17 . 1 . 1 5 5 GLN CA C 13 53.021 . . . . . . . . 5 Q CA . 52308 1 18 . 1 . 1 5 5 GLN CB C 13 26.342 . . . . . . . . 5 Q CB . 52308 1 19 . 1 . 1 5 5 GLN N N 15 120.301 . . . . . . . . 5 Q N . 52308 1 20 . 1 . 1 6 6 GLN H H 1 8.220 . . . . . . . . 6 Q HN . 52308 1 21 . 1 . 1 6 6 GLN C C 13 173.715 . . . . . . . . 6 Q C . 52308 1 22 . 1 . 1 6 6 GLN CA C 13 53.399 . . . . . . . . 6 Q CA . 52308 1 23 . 1 . 1 6 6 GLN CB C 13 30.141 . . . . . . . . 6 Q CB . 52308 1 24 . 1 . 1 6 6 GLN N N 15 122.313 . . . . . . . . 6 Q N . 52308 1 25 . 1 . 1 7 7 LYS H H 1 8.216 . . . . . . . . 7 K HN . 52308 1 26 . 1 . 1 7 7 LYS CA C 13 53.387 . . . . . . . . 7 K CA . 52308 1 27 . 1 . 1 7 7 LYS CB C 13 29.960 . . . . . . . . 7 K CB . 52308 1 28 . 1 . 1 7 7 LYS N N 15 124.200 . . . . . . . . 7 K N . 52308 1 29 . 1 . 1 8 8 ILE H H 1 8.313 . . . . . . . . 8 I HN . 52308 1 30 . 1 . 1 8 8 ILE N N 15 123.025 . . . . . . . . 8 I N . 52308 1 31 . 1 . 1 9 9 GLN H H 1 8.189 . . . . . . . . 9 Q HN . 52308 1 32 . 1 . 1 9 9 GLN C C 13 173.411 . . . . . . . . 9 Q C . 52308 1 33 . 1 . 1 9 9 GLN CA C 13 53.065 . . . . . . . . 9 Q CA . 52308 1 34 . 1 . 1 9 9 GLN CB C 13 26.313 . . . . . . . . 9 Q CB . 52308 1 35 . 1 . 1 9 9 GLN N N 15 118.210 . . . . . . . . 9 Q N . 52308 1 36 . 1 . 1 10 10 SER H H 1 8.191 . . . . . . . . 10 S HN . 52308 1 37 . 1 . 1 10 10 SER C C 13 171.934 . . . . . . . . 10 S C . 52308 1 38 . 1 . 1 10 10 SER CA C 13 55.900 . . . . . . . . 10 S CA . 52308 1 39 . 1 . 1 10 10 SER CB C 13 60.591 . . . . . . . . 10 S CB . 52308 1 40 . 1 . 1 10 10 SER N N 15 118.176 . . . . . . . . 10 S N . 52308 1 41 . 1 . 1 11 11 GLN H H 1 8.186 . . . . . . . . 11 Q HN . 52308 1 42 . 1 . 1 11 11 GLN C C 13 173.924 . . . . . . . . 11 Q C . 52308 1 43 . 1 . 1 11 11 GLN CA C 13 53.687 . . . . . . . . 11 Q CA . 52308 1 44 . 1 . 1 11 11 GLN CB C 13 29.919 . . . . . . . . 11 Q CB . 52308 1 45 . 1 . 1 11 11 GLN N N 15 122.480 . . . . . . . . 11 Q N . 52308 1 46 . 1 . 1 12 12 GLN H H 1 8.176 . . . . . . . . 12 Q HN . 52308 1 47 . 1 . 1 12 12 GLN CA C 13 52.863 . . . . . . . . 12 Q CA . 52308 1 48 . 1 . 1 12 12 GLN CB C 13 26.387 . . . . . . . . 12 Q CB . 52308 1 49 . 1 . 1 12 12 GLN N N 15 122.435 . . . . . . . . 12 Q N . 52308 1 50 . 1 . 1 13 13 LYS C C 13 173.821 . . . . . . . . 13 K C . 52308 1 51 . 1 . 1 14 14 ASN H H 1 8.211 . . . . . . . . 14 N HN . 52308 1 52 . 1 . 1 14 14 ASN C C 13 172.232 . . . . . . . . 14 N C . 52308 1 53 . 1 . 1 14 14 ASN CA C 13 50.471 . . . . . . . . 14 N CA . 52308 1 54 . 1 . 1 14 14 ASN CB C 13 35.627 . . . . . . . . 14 N CB . 52308 1 55 . 1 . 1 14 14 ASN N N 15 119.929 . . . . . . . . 14 N N . 52308 1 56 . 1 . 1 15 15 ALA H H 1 7.971 . . . . . . . . 15 A HN . 52308 1 57 . 1 . 1 15 15 ALA C C 13 175.154 . . . . . . . . 15 A C . 52308 1 58 . 1 . 1 15 15 ALA CA C 13 49.942 . . . . . . . . 15 A CA . 52308 1 59 . 1 . 1 15 15 ALA CB C 13 16.104 . . . . . . . . 15 A CB . 52308 1 60 . 1 . 1 15 15 ALA N N 15 125.016 . . . . . . . . 15 A N . 52308 1 61 . 1 . 1 16 16 LYS H H 1 8.008 . . . . . . . . 16 K HN . 52308 1 62 . 1 . 1 16 16 LYS C C 13 173.601 . . . . . . . . 16 K C . 52308 1 63 . 1 . 1 16 16 LYS CA C 13 53.489 . . . . . . . . 16 K CA . 52308 1 64 . 1 . 1 16 16 LYS CB C 13 29.931 . . . . . . . . 16 K CB . 52308 1 65 . 1 . 1 16 16 LYS N N 15 121.036 . . . . . . . . 16 K N . 52308 1 66 . 1 . 1 17 17 LYS H H 1 8.294 . . . . . . . . 17 K HN . 52308 1 67 . 1 . 1 17 17 LYS C C 13 174.105 . . . . . . . . 17 K C . 52308 1 68 . 1 . 1 17 17 LYS CA C 13 53.624 . . . . . . . . 17 K CA . 52308 1 69 . 1 . 1 17 17 LYS CB C 13 29.854 . . . . . . . . 17 K CB . 52308 1 70 . 1 . 1 17 17 LYS N N 15 123.027 . . . . . . . . 17 K N . 52308 1 71 . 1 . 1 18 18 GLN H H 1 8.045 . . . . . . . . 18 Q HN . 52308 1 72 . 1 . 1 18 18 GLN C C 13 174.051 . . . . . . . . 18 Q C . 52308 1 73 . 1 . 1 18 18 GLN CA C 13 53.916 . . . . . . . . 18 Q CA . 52308 1 74 . 1 . 1 18 18 GLN CB C 13 29.667 . . . . . . . . 18 Q CB . 52308 1 75 . 1 . 1 18 18 GLN N N 15 123.470 . . . . . . . . 18 Q N . 52308 1 76 . 1 . 1 19 19 ALA H H 1 7.932 . . . . . . . . 19 A HN . 52308 1 77 . 1 . 1 19 19 ALA C C 13 175.579 . . . . . . . . 19 A C . 52308 1 78 . 1 . 1 19 19 ALA CA C 13 49.948 . . . . . . . . 19 A CA . 52308 1 79 . 1 . 1 19 19 ALA CB C 13 16.195 . . . . . . . . 19 A CB . 52308 1 80 . 1 . 1 19 19 ALA N N 15 125.238 . . . . . . . . 19 A N . 52308 1 81 . 1 . 1 20 20 GLY H H 1 8.205 . . . . . . . . 20 G HN . 52308 1 82 . 1 . 1 20 20 GLY C C 13 171.456 . . . . . . . . 20 G C . 52308 1 83 . 1 . 1 20 20 GLY CA C 13 42.379 . . . . . . . . 20 G CA . 52308 1 84 . 1 . 1 20 20 GLY N N 15 108.759 . . . . . . . . 20 G N . 52308 1 85 . 1 . 1 21 21 GLN H H 1 8.003 . . . . . . . . 21 Q HN . 52308 1 86 . 1 . 1 21 21 GLN C C 13 173.799 . . . . . . . . 21 Q C . 52308 1 87 . 1 . 1 21 21 GLN CA C 13 53.229 . . . . . . . . 21 Q CA . 52308 1 88 . 1 . 1 21 21 GLN CB C 13 26.449 . . . . . . . . 21 Q CB . 52308 1 89 . 1 . 1 21 21 GLN N N 15 120.388 . . . . . . . . 21 Q N . 52308 1 90 . 1 . 1 22 22 LYS H H 1 8.156 . . . . . . . . 22 K HN . 52308 1 91 . 1 . 1 22 22 LYS C C 13 173.617 . . . . . . . . 22 K C . 52308 1 92 . 1 . 1 22 22 LYS CA C 13 53.493 . . . . . . . . 22 K CA . 52308 1 93 . 1 . 1 22 22 LYS CB C 13 29.898 . . . . . . . . 22 K CB . 52308 1 94 . 1 . 1 22 22 LYS N N 15 123.836 . . . . . . . . 22 K N . 52308 1 95 . 1 . 1 23 23 LYS H H 1 8.028 . . . . . . . . 23 K HN . 52308 1 96 . 1 . 1 23 23 LYS C C 13 175.155 . . . . . . . . 23 K C . 52308 1 97 . 1 . 1 23 23 LYS CA C 13 53.876 . . . . . . . . 23 K CA . 52308 1 98 . 1 . 1 23 23 LYS CB C 13 29.626 . . . . . . . . 23 K CB . 52308 1 99 . 1 . 1 23 23 LYS N N 15 122.632 . . . . . . . . 23 K N . 52308 1 100 . 1 . 1 24 24 LYS H H 1 7.956 . . . . . . . . 24 K HN . 52308 1 101 . 1 . 1 24 24 LYS C C 13 173.689 . . . . . . . . 24 K C . 52308 1 102 . 1 . 1 24 24 LYS CA C 13 58.433 . . . . . . . . 24 K CA . 52308 1 103 . 1 . 1 24 24 LYS CB C 13 35.426 . . . . . . . . 24 K CB . 52308 1 104 . 1 . 1 24 24 LYS N N 15 123.727 . . . . . . . . 24 K N . 52308 1 105 . 1 . 1 25 25 GLN H H 1 8.302 . . . . . . . . 25 Q HN . 52308 1 106 . 1 . 1 25 25 GLN C C 13 173.577 . . . . . . . . 25 Q C . 52308 1 107 . 1 . 1 25 25 GLN CA C 13 53.116 . . . . . . . . 25 Q CA . 52308 1 108 . 1 . 1 25 25 GLN CB C 13 26.646 . . . . . . . . 25 Q CB . 52308 1 109 . 1 . 1 25 25 GLN N N 15 125.503 . . . . . . . . 25 Q N . 52308 1 110 . 1 . 1 26 26 GLY H H 1 8.310 . . . . . . . . 26 G HN . 52308 1 111 . 1 . 1 26 26 GLY C C 13 171.299 . . . . . . . . 26 G C . 52308 1 112 . 1 . 1 26 26 GLY CA C 13 42.270 . . . . . . . . 26 G CA . 52308 1 113 . 1 . 1 26 26 GLY N N 15 111.300 . . . . . . . . 26 G N . 52308 1 114 . 1 . 1 27 27 HIS H H 1 7.958 . . . . . . . . 27 H HN . 52308 1 115 . 1 . 1 27 27 HIS C C 13 173.423 . . . . . . . . 27 H C . 52308 1 116 . 1 . 1 27 27 HIS CA C 13 51.236 . . . . . . . . 27 H CA . 52308 1 117 . 1 . 1 27 27 HIS CB C 13 26.501 . . . . . . . . 27 H CB . 52308 1 118 . 1 . 1 27 27 HIS N N 15 120.345 . . . . . . . . 27 H N . 52308 1 119 . 1 . 1 28 28 ASP H H 1 8.117 . . . . . . . . 28 D HN . 52308 1 120 . 1 . 1 28 28 ASP C C 13 172.618 . . . . . . . . 28 D C . 52308 1 121 . 1 . 1 28 28 ASP CA C 13 51.226 . . . . . . . . 28 D CA . 52308 1 122 . 1 . 1 28 28 ASP CB C 13 37.745 . . . . . . . . 28 D CB . 52308 1 123 . 1 . 1 28 28 ASP N N 15 121.947 . . . . . . . . 28 D N . 52308 1 124 . 1 . 1 29 29 GLN H H 1 8.089 . . . . . . . . 29 Q HN . 52308 1 125 . 1 . 1 29 29 GLN CA C 13 53.439 . . . . . . . . 29 Q CA . 52308 1 126 . 1 . 1 29 29 GLN CB C 13 26.084 . . . . . . . . 29 Q CB . 52308 1 127 . 1 . 1 29 29 GLN N N 15 121.881 . . . . . . . . 29 Q N . 52308 1 128 . 1 . 1 30 30 LYS H H 1 8.186 . . . . . . . . 30 K HN . 52308 1 129 . 1 . 1 30 30 LYS C C 13 173.081 . . . . . . . . 30 K C . 52308 1 130 . 1 . 1 30 30 LYS CA C 13 52.459 . . . . . . . . 30 K CA . 52308 1 131 . 1 . 1 30 30 LYS CB C 13 29.890 . . . . . . . . 30 K CB . 52308 1 132 . 1 . 1 30 30 LYS N N 15 126.396 . . . . . . . . 30 K N . 52308 1 133 . 1 . 1 31 31 ALA H H 1 8.184 . . . . . . . . 31 A HN . 52308 1 134 . 1 . 1 31 31 ALA C C 13 175.083 . . . . . . . . 31 A C . 52308 1 135 . 1 . 1 31 31 ALA CA C 13 49.740 . . . . . . . . 31 A CA . 52308 1 136 . 1 . 1 31 31 ALA CB C 13 15.954 . . . . . . . . 31 A CB . 52308 1 137 . 1 . 1 31 31 ALA N N 15 126.403 . . . . . . . . 31 A N . 52308 1 138 . 1 . 1 32 32 ALA H H 1 7.926 . . . . . . . . 32 A HN . 52308 1 139 . 1 . 1 32 32 ALA C C 13 173.859 . . . . . . . . 32 A C . 52308 1 140 . 1 . 1 32 32 ALA CA C 13 53.675 . . . . . . . . 32 A CA . 52308 1 141 . 1 . 1 32 32 ALA CB C 13 15.932 . . . . . . . . 32 A CB . 52308 1 142 . 1 . 1 32 32 ALA N N 15 123.744 . . . . . . . . 32 A N . 52308 1 143 . 1 . 1 33 33 ALA H H 1 7.972 . . . . . . . . 33 A HN . 52308 1 144 . 1 . 1 33 33 ALA C C 13 175.232 . . . . . . . . 33 A C . 52308 1 145 . 1 . 1 33 33 ALA CA C 13 49.690 . . . . . . . . 33 A CA . 52308 1 146 . 1 . 1 33 33 ALA CB C 13 15.935 . . . . . . . . 33 A CB . 52308 1 147 . 1 . 1 33 33 ALA N N 15 123.467 . . . . . . . . 33 A N . 52308 1 148 . 1 . 1 34 34 LYS H H 1 7.918 . . . . . . . . 34 K HN . 52308 1 149 . 1 . 1 34 34 LYS C C 13 173.703 . . . . . . . . 34 K C . 52308 1 150 . 1 . 1 34 34 LYS CA C 13 53.588 . . . . . . . . 34 K CA . 52308 1 151 . 1 . 1 34 34 LYS CB C 13 29.832 . . . . . . . . 34 K CB . 52308 1 152 . 1 . 1 34 34 LYS N N 15 121.189 . . . . . . . . 34 K N . 52308 1 153 . 1 . 1 35 35 ALA H H 1 7.938 . . . . . . . . 35 A HN . 52308 1 154 . 1 . 1 35 35 ALA C C 13 174.465 . . . . . . . . 35 A C . 52308 1 155 . 1 . 1 35 35 ALA CA C 13 49.575 . . . . . . . . 35 A CA . 52308 1 156 . 1 . 1 35 35 ALA CB C 13 16.123 . . . . . . . . 35 A CB . 52308 1 157 . 1 . 1 35 35 ALA N N 15 125.561 . . . . . . . . 35 A N . 52308 1 158 . 1 . 1 36 36 ALA H H 1 7.872 . . . . . . . . 36 A HN . 52308 1 159 . 1 . 1 36 36 ALA C C 13 174.438 . . . . . . . . 36 A C . 52308 1 160 . 1 . 1 36 36 ALA CA C 13 49.209 . . . . . . . . 36 A CA . 52308 1 161 . 1 . 1 36 36 ALA CB C 13 16.095 . . . . . . . . 36 A CB . 52308 1 162 . 1 . 1 36 36 ALA N N 15 123.771 . . . . . . . . 36 A N . 52308 1 163 . 1 . 1 37 37 LEU H H 1 7.812 . . . . . . . . 37 L HN . 52308 1 164 . 1 . 1 37 37 LEU C C 13 172.928 . . . . . . . . 37 L C . 52308 1 165 . 1 . 1 37 37 LEU CA C 13 51.992 . . . . . . . . 37 L CA . 52308 1 166 . 1 . 1 37 37 LEU CB C 13 39.266 . . . . . . . . 37 L CB . 52308 1 167 . 1 . 1 37 37 LEU N N 15 122.657 . . . . . . . . 37 L N . 52308 1 168 . 1 . 1 38 38 ILE H H 1 7.334 . . . . . . . . 38 I HN . 52308 1 169 . 1 . 1 38 38 ILE C C 13 172.162 . . . . . . . . 38 I C . 52308 1 170 . 1 . 1 38 38 ILE CA C 13 57.132 . . . . . . . . 38 I CA . 52308 1 171 . 1 . 1 38 38 ILE CB C 13 38.835 . . . . . . . . 38 I CB . 52308 1 172 . 1 . 1 38 38 ILE N N 15 120.197 . . . . . . . . 38 I N . 52308 1 173 . 1 . 1 39 39 TYR H H 1 8.022 . . . . . . . . 39 Y HN . 52308 1 174 . 1 . 1 39 39 TYR C C 13 171.708 . . . . . . . . 39 Y C . 52308 1 175 . 1 . 1 39 39 TYR CA C 13 54.155 . . . . . . . . 39 Y CA . 52308 1 176 . 1 . 1 39 39 TYR CB C 13 35.413 . . . . . . . . 39 Y CB . 52308 1 177 . 1 . 1 39 39 TYR N N 15 125.663 . . . . . . . . 39 Y N . 52308 1 178 . 1 . 1 40 40 THR H H 1 8.100 . . . . . . . . 40 T HN . 52308 1 179 . 1 . 1 40 40 THR C C 13 170.317 . . . . . . . . 40 T C . 52308 1 180 . 1 . 1 40 40 THR CA C 13 58.808 . . . . . . . . 40 T CA . 52308 1 181 . 1 . 1 40 40 THR CB C 13 67.131 . . . . . . . . 40 T CB . 52308 1 182 . 1 . 1 40 40 THR N N 15 119.417 . . . . . . . . 40 T N . 52308 1 183 . 1 . 1 41 41 CYS H H 1 8.365 . . . . . . . . 41 C HN . 52308 1 184 . 1 . 1 41 41 CYS C C 13 174.522 . . . . . . . . 41 C C . 52308 1 185 . 1 . 1 41 41 CYS CA C 13 57.601 . . . . . . . . 41 C CA . 52308 1 186 . 1 . 1 41 41 CYS CB C 13 26.434 . . . . . . . . 41 C CB . 52308 1 187 . 1 . 1 41 41 CYS N N 15 128.736 . . . . . . . . 41 C N . 52308 1 188 . 1 . 1 42 42 THR H H 1 8.445 . . . . . . . . 42 T HN . 52308 1 189 . 1 . 1 42 42 THR C C 13 172.326 . . . . . . . . 42 T C . 52308 1 190 . 1 . 1 42 42 THR CA C 13 61.209 . . . . . . . . 42 T CA . 52308 1 191 . 1 . 1 42 42 THR CB C 13 65.725 . . . . . . . . 42 T CB . 52308 1 192 . 1 . 1 42 42 THR N N 15 122.905 . . . . . . . . 42 T N . 52308 1 193 . 1 . 1 43 43 VAL H H 1 8.586 . . . . . . . . 43 V HN . 52308 1 194 . 1 . 1 43 43 VAL C C 13 175.022 . . . . . . . . 43 V C . 52308 1 195 . 1 . 1 43 43 VAL CA C 13 62.314 . . . . . . . . 43 V CA . 52308 1 196 . 1 . 1 43 43 VAL CB C 13 29.262 . . . . . . . . 43 V CB . 52308 1 197 . 1 . 1 43 43 VAL N N 15 124.984 . . . . . . . . 43 V N . 52308 1 198 . 1 . 1 44 44 CYS H H 1 7.739 . . . . . . . . 44 C HN . 52308 1 199 . 1 . 1 44 44 CYS CA C 13 57.309 . . . . . . . . 44 C CA . 52308 1 200 . 1 . 1 44 44 CYS CB C 13 28.994 . . . . . . . . 44 C CB . 52308 1 201 . 1 . 1 44 44 CYS N N 15 120.151 . . . . . . . . 44 C N . 52308 1 202 . 1 . 1 45 45 ARG H H 1 8.511 . . . . . . . . 45 R HN . 52308 1 203 . 1 . 1 45 45 ARG C C 13 176.528 . . . . . . . . 45 R C . 52308 1 204 . 1 . 1 45 45 ARG CA C 13 57.333 . . . . . . . . 45 R CA . 52308 1 205 . 1 . 1 45 45 ARG CB C 13 28.948 . . . . . . . . 45 R CB . 52308 1 206 . 1 . 1 45 45 ARG N N 15 116.616 . . . . . . . . 45 R N . 52308 1 207 . 1 . 1 46 46 THR H H 1 8.512 . . . . . . . . 46 T HN . 52308 1 208 . 1 . 1 46 46 THR C C 13 175.204 . . . . . . . . 46 T C . 52308 1 209 . 1 . 1 46 46 THR CA C 13 62.995 . . . . . . . . 46 T CA . 52308 1 210 . 1 . 1 46 46 THR CB C 13 65.480 . . . . . . . . 46 T CB . 52308 1 211 . 1 . 1 46 46 THR N N 15 116.608 . . . . . . . . 46 T N . 52308 1 212 . 1 . 1 47 47 GLN H H 1 7.702 . . . . . . . . 47 Q HN . 52308 1 213 . 1 . 1 47 47 GLN C C 13 173.823 . . . . . . . . 47 Q C . 52308 1 214 . 1 . 1 47 47 GLN CA C 13 55.945 . . . . . . . . 47 Q CA . 52308 1 215 . 1 . 1 47 47 GLN CB C 13 35.776 . . . . . . . . 47 Q CB . 52308 1 216 . 1 . 1 47 47 GLN N N 15 123.662 . . . . . . . . 47 Q N . 52308 1 217 . 1 . 1 48 48 MET H H 1 8.221 . . . . . . . . 48 M HN . 52308 1 218 . 1 . 1 48 48 MET CA C 13 57.788 . . . . . . . . 48 M CA . 52308 1 219 . 1 . 1 48 48 MET CB C 13 29.654 . . . . . . . . 48 M CB . 52308 1 220 . 1 . 1 48 48 MET N N 15 121.495 . . . . . . . . 48 M N . 52308 1 221 . 1 . 1 55 55 LYS H H 1 7.767 . . . . . . . . 55 K HN . 52308 1 222 . 1 . 1 55 55 LYS C C 13 174.801 . . . . . . . . 55 K C . 52308 1 223 . 1 . 1 55 55 LYS CA C 13 57.787 . . . . . . . . 55 K CA . 52308 1 224 . 1 . 1 55 55 LYS CB C 13 29.654 . . . . . . . . 55 K CB . 52308 1 225 . 1 . 1 55 55 LYS N N 15 117.495 . . . . . . . . 55 K N . 52308 1 226 . 1 . 1 56 56 GLN H H 1 7.772 . . . . . . . . 56 Q HN . 52308 1 227 . 1 . 1 56 56 GLN C C 13 176.480 . . . . . . . . 56 Q C . 52308 1 228 . 1 . 1 56 56 GLN CA C 13 55.859 . . . . . . . . 56 Q CA . 52308 1 229 . 1 . 1 56 56 GLN CB C 13 25.282 . . . . . . . . 56 Q CB . 52308 1 230 . 1 . 1 56 56 GLN N N 15 117.516 . . . . . . . . 56 Q N . 52308 1 231 . 1 . 1 57 57 HIS H H 1 8.152 . . . . . . . . 57 H HN . 52308 1 232 . 1 . 1 57 57 HIS C C 13 172.773 . . . . . . . . 57 H C . 52308 1 233 . 1 . 1 57 57 HIS CA C 13 56.730 . . . . . . . . 57 H CA . 52308 1 234 . 1 . 1 57 57 HIS CB C 13 25.462 . . . . . . . . 57 H CB . 52308 1 235 . 1 . 1 57 57 HIS N N 15 120.461 . . . . . . . . 57 H N . 52308 1 236 . 1 . 1 58 58 PHE H H 1 8.352 . . . . . . . . 58 F HN . 52308 1 237 . 1 . 1 58 58 PHE C C 13 175.156 . . . . . . . . 58 F C . 52308 1 238 . 1 . 1 58 58 PHE CA C 13 60.266 . . . . . . . . 58 F CA . 52308 1 239 . 1 . 1 58 58 PHE CB C 13 37.035 . . . . . . . . 58 F CB . 52308 1 240 . 1 . 1 58 58 PHE N N 15 121.915 . . . . . . . . 58 F N . 52308 1 241 . 1 . 1 59 59 GLU H H 1 7.979 . . . . . . . . 59 E HN . 52308 1 242 . 1 . 1 59 59 GLU C C 13 175.043 . . . . . . . . 59 E C . 52308 1 243 . 1 . 1 59 59 GLU CA C 13 56.176 . . . . . . . . 59 E CA . 52308 1 244 . 1 . 1 59 59 GLU CB C 13 26.747 . . . . . . . . 59 E CB . 52308 1 245 . 1 . 1 59 59 GLU N N 15 114.240 . . . . . . . . 59 E N . 52308 1 246 . 1 . 1 60 60 SER H H 1 7.225 . . . . . . . . 60 S HN . 52308 1 247 . 1 . 1 60 60 SER C C 13 173.495 . . . . . . . . 60 S C . 52308 1 248 . 1 . 1 60 60 SER CA C 13 56.996 . . . . . . . . 60 S CA . 52308 1 249 . 1 . 1 60 60 SER CB C 13 60.870 . . . . . . . . 60 S CB . 52308 1 250 . 1 . 1 60 60 SER N N 15 110.273 . . . . . . . . 60 S N . 52308 1 251 . 1 . 1 61 61 LYS H H 1 7.829 . . . . . . . . 61 K HN . 52308 1 252 . 1 . 1 61 61 LYS C C 13 172.744 . . . . . . . . 61 K C . 52308 1 253 . 1 . 1 61 61 LYS CA C 13 52.269 . . . . . . . . 61 K CA . 52308 1 254 . 1 . 1 61 61 LYS CB C 13 27.376 . . . . . . . . 61 K CB . 52308 1 255 . 1 . 1 61 61 LYS N N 15 117.814 . . . . . . . . 61 K N . 52308 1 256 . 1 . 1 62 62 HIS H H 1 8.657 . . . . . . . . 62 H HN . 52308 1 257 . 1 . 1 62 62 HIS CB C 13 32.263 . . . . . . . . 62 H CB . 52308 1 258 . 1 . 1 62 62 HIS N N 15 123.002 . . . . . . . . 62 H N . 52308 1 259 . 1 . 1 66 66 PRO C C 13 172.828 . . . . . . . . 66 P C . 52308 1 260 . 1 . 1 66 66 PRO CA C 13 59.987 . . . . . . . . 66 P CA . 52308 1 261 . 1 . 1 66 66 PRO CB C 13 28.916 . . . . . . . . 66 P CB . 52308 1 262 . 1 . 1 67 67 LEU H H 1 8.064 . . . . . . . . 67 L HN . 52308 1 263 . 1 . 1 67 67 LEU CA C 13 50.191 . . . . . . . . 67 L CA . 52308 1 264 . 1 . 1 67 67 LEU CB C 13 38.493 . . . . . . . . 67 L CB . 52308 1 265 . 1 . 1 67 67 LEU N N 15 123.762 . . . . . . . . 67 L N . 52308 1 266 . 1 . 1 69 69 PRO C C 13 175.700 . . . . . . . . 69 P C . 52308 1 267 . 1 . 1 69 69 PRO CA C 13 61.993 . . . . . . . . 69 P CA . 52308 1 268 . 1 . 1 69 69 PRO CB C 13 28.721 . . . . . . . . 69 P CB . 52308 1 269 . 1 . 1 70 70 GLU H H 1 9.415 . . . . . . . . 70 E HN . 52308 1 270 . 1 . 1 70 70 GLU C C 13 174.175 . . . . . . . . 70 E C . 52308 1 271 . 1 . 1 70 70 GLU CA C 13 55.544 . . . . . . . . 70 E CA . 52308 1 272 . 1 . 1 70 70 GLU CB C 13 25.449 . . . . . . . . 70 E CB . 52308 1 273 . 1 . 1 70 70 GLU N N 15 117.901 . . . . . . . . 70 E N . 52308 1 274 . 1 . 1 71 71 LEU H H 1 7.493 . . . . . . . . 71 L HN . 52308 1 275 . 1 . 1 71 71 LEU C C 13 173.885 . . . . . . . . 71 L C . 52308 1 276 . 1 . 1 71 71 LEU CA C 13 50.868 . . . . . . . . 71 L CA . 52308 1 277 . 1 . 1 71 71 LEU CB C 13 39.850 . . . . . . . . 71 L CB . 52308 1 278 . 1 . 1 71 71 LEU N N 15 118.983 . . . . . . . . 71 L N . 52308 1 279 . 1 . 1 72 72 ALA H H 1 7.216 . . . . . . . . 72 A HN . 52308 1 280 . 1 . 1 72 72 ALA C C 13 174.860 . . . . . . . . 72 A C . 52308 1 281 . 1 . 1 72 72 ALA CA C 13 51.130 . . . . . . . . 72 A CA . 52308 1 282 . 1 . 1 72 72 ALA CB C 13 16.051 . . . . . . . . 72 A CB . 52308 1 283 . 1 . 1 72 72 ALA N N 15 123.686 . . . . . . . . 72 A N . 52308 1 284 . 1 . 1 73 73 ASP H H 1 8.006 . . . . . . . . 73 D HN . 52308 1 285 . 1 . 1 73 73 ASP C C 13 173.049 . . . . . . . . 73 D C . 52308 1 286 . 1 . 1 73 73 ASP CA C 13 51.031 . . . . . . . . 73 D CA . 52308 1 287 . 1 . 1 73 73 ASP CB C 13 37.860 . . . . . . . . 73 D CB . 52308 1 288 . 1 . 1 73 73 ASP N N 15 116.987 . . . . . . . . 73 D N . 52308 1 289 . 1 . 1 74 74 VAL H H 1 7.223 . . . . . . . . 74 V HN . 52308 1 290 . 1 . 1 74 74 VAL C C 13 172.707 . . . . . . . . 74 V C . 52308 1 291 . 1 . 1 74 74 VAL CA C 13 59.560 . . . . . . . . 74 V CA . 52308 1 292 . 1 . 1 74 74 VAL CB C 13 29.594 . . . . . . . . 74 V CB . 52308 1 293 . 1 . 1 74 74 VAL N N 15 121.233 . . . . . . . . 74 V N . 52308 1 294 . 1 . 1 75 75 GLN H H 1 8.256 . . . . . . . . 75 Q HN . 52308 1 295 . 1 . 1 75 75 GLN C C 13 171.652 . . . . . . . . 75 Q C . 52308 1 296 . 1 . 1 75 75 GLN CA C 13 52.182 . . . . . . . . 75 Q CA . 52308 1 297 . 1 . 1 75 75 GLN CB C 13 26.385 . . . . . . . . 75 Q CB . 52308 1 298 . 1 . 1 75 75 GLN N N 15 127.038 . . . . . . . . 75 Q N . 52308 1 299 . 1 . 1 76 76 ALA H H 1 7.933 . . . . . . . . 76 A HN . 52308 1 300 . 1 . 1 76 76 ALA CA C 13 50.853 . . . . . . . . 76 A CA . 52308 1 301 . 1 . 1 76 76 ALA CB C 13 17.032 . . . . . . . . 76 A CB . 52308 1 302 . 1 . 1 76 76 ALA N N 15 132.583 . . . . . . . . 76 A N . 52308 1 stop_ save_