data_36411 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36411 _Entry.Title ; Aptamer enhancing peroxidase activity of myoglobin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-02-19 _Entry.Accession_date 2021-07-14 _Entry.Last_release_date 2021-07-14 _Entry.Original_release_date 2021-07-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 K. Tsukakoshi K. . . . 36411 2 A. Matsugami A. . . . 36411 3 K. Khunathai K. . . . 36411 4 M. Kanazashi M. . . . 36411 5 Y. Yamagishi Y. . . . 36411 6 K. Nakama K. . . . 36411 7 D. Oshikawa D. . . . 36411 8 F. Hayashi F. . . . 36411 9 H. Kuno H. . . . 36411 10 K. Ikebukuro K. . . . 36411 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DNA . 36411 'DNA aptamer parallel G-quadruplex myoglobin peroxidase activity enhancement' . 36411 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36411 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 67 36411 '1H chemical shifts' 153 36411 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 . . 2021-08-26 . original BMRB . 36411 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7E5P 'BMRB Entry Tracking System' 36411 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36411 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34095949 _Citation.DOI 10.1093/nar/gkab388 _Citation.Full_citation . _Citation.Title ; G-quadruplex-forming aptamer enhances the peroxidase activity of myoglobin against luminol. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 49 _Citation.Journal_issue 11 _Citation.Journal_ASTM NARHAD _Citation.Journal_ISSN 1362-4962 _Citation.Journal_CSD 0389 _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 6069 _Citation.Page_last 6081 _Citation.Year 2021 _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 Kaori Tsukakoshi K. . . . 36411 1 2 Yasuko Yamagishi Y. . . . 36411 1 3 Mana Kanazashi M. . . . 36411 1 4 Kenta Nakama K. . . . 36411 1 5 Daiki Oshikawa D. . . . 36411 1 6 Nasa Savory N. . . . 36411 1 7 Akimasa Matsugami A. . . . 36411 1 8 Fumiaki Hayashi F. . . . 36411 1 9 Jinhee Lee J. . . . 36411 1 10 Taiki Saito T. . . . 36411 1 11 Koji Sode K. . . . 36411 1 12 Kanjana Khunathai K. . . . 36411 1 13 Hitoshi Kuno H. . . . 36411 1 14 Kazunori Ikebukuro K. . . . 36411 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36411 _Assembly.ID 1 _Assembly.Name 'G-quadruplex-forming aptamer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 36411 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36411 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name "DNA (5'-D(*GP*GP*GP*TP*GP*GP*GP*TP*TP*GP*GP*GP*AP*GP*GP*G)-3')" _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGGTGGGTTGGGAGGG ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 16 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5131.298 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'DNA aptamer' _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 1 DG . 36411 1 2 2 DG . 36411 1 3 3 DG . 36411 1 4 4 DT . 36411 1 5 5 DG . 36411 1 6 6 DG . 36411 1 7 7 DG . 36411 1 8 8 DT . 36411 1 9 9 DT . 36411 1 10 10 DG . 36411 1 11 11 DG . 36411 1 12 12 DG . 36411 1 13 13 DA . 36411 1 14 14 DG . 36411 1 15 15 DG . 36411 1 16 16 DG . 36411 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 . DG 1 1 36411 1 . DG 2 2 36411 1 . DG 3 3 36411 1 . DT 4 4 36411 1 . DG 5 5 36411 1 . DG 6 6 36411 1 . DG 7 7 36411 1 . DT 8 8 36411 1 . DT 9 9 36411 1 . DG 10 10 36411 1 . DG 11 11 36411 1 . DG 12 12 36411 1 . DA 13 13 36411 1 . DG 14 14 36411 1 . DG 15 15 36411 1 . DG 16 16 36411 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 36411 _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 . 32630 'no natural source' . 'synthetic construct' . . . . . . . . . . . . . . . . . . . . 36411 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 36411 _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' . . . . . . . . . . . . . . . . 36411 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36411 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1 mM DNA (5'-D(*(GUA)P*GP*GP*TP*GP*GP*GP*TP*TP*GP*GP*GP*AP*GP*GP*G)-3'), 10 mM Potassium phosphate buffer pH 6.5, 100 uM DSS, 100% D2O ; _Sample.Aggregate_sample_number . _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 "DNA (5'-D(*(GUA)P*GP*GP*TP*GP*GP*GP*TP*TP*GP*GP*GP*AP*GP*GP*G)-3')" 'natural abundance' 1 $assembly 1 $entity_1 . DNA 1 . . mM . . . . 36411 1 2 DSS 'natural abundance' . . . . . . 100 . . uM . . . . 36411 1 3 'Potassium phosphate buffer pH 6.5' 'natural abundance' . . . . . buffer 10 . . mM . . . . 36411 1 4 D2O [U-2H] . . . . . solvent 100 . . % . . . . 36411 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 36411 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1 mM DNA (5'-D(*(GUA)P*GP*GP*TP*GP*GP*GP*TP*TP*GP*GP*GP*AP*GP*GP*G)-3'), 10 mM Potassium phosphate buffer pH 6.5, 100 uM NA DSS, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/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 "DNA (5'-D(*(GUA)P*GP*GP*TP*GP*GP*GP*TP*TP*GP*GP*GP*AP*GP*GP*G)-3')" 'natural abundance' 1 $assembly 1 $entity_1 . DNA 1 . . mM . . . . 36411 2 2 DSS 'natural abundance' . . . . . . 100 . . uM . . . . 36411 2 3 'Potassium phosphate buffer pH 6.5' 'natural abundance' . . . . . buffer 10 . . mM . . . . 36411 2 4 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 36411 2 5 D2O [U-2H] . . . . . solvent 5 . . % . . . . 36411 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 36411 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 10 . mM 36411 1 pH 6.5 . pH 36411 1 pressure 1 . atm 36411 1 temperature 298 . K 36411 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36411 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36411 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36411 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36411 _Software.ID 2 _Software.Type . _Software.Name Sparky _Software.Version 3.114 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 36411 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 36411 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36411 _Software.ID 3 _Software.Type . _Software.Name TopSpin _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 36411 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36411 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36411 _Software.ID 4 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version 2.48 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 36411 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 36411 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 36411 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 36411 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 36411 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 700 . . . 36411 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 800 . . . 36411 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 36411 _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 500ms' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36411 1 2 '2D 1H-1H NOESY 50ms' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36411 1 3 '2D 1H-1H TOCSY 120ms' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36411 1 4 '2D DQF-COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36411 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36411 1 6 '2D 1H-1H NOESY 50ms' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36411 1 7 '2D 1H-1H NOESY 250ms' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36411 1 8 '2D JR-HMBC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36411 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36411 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 36411 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 0.000 internal indirect 0.251449530 . . . . . 36411 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36411 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 36411 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 500ms' 1 $sample_1 isotropic 36411 1 2 '2D 1H-1H NOESY 50ms' 1 $sample_1 isotropic 36411 1 3 '2D 1H-1H TOCSY 120ms' 1 $sample_1 isotropic 36411 1 4 '2D DQF-COSY' 1 $sample_1 isotropic 36411 1 5 '2D 1H-13C HSQC' 1 $sample_1 isotropic 36411 1 6 '2D 1H-1H NOESY 50ms' 2 $sample_2 isotropic 36411 1 7 '2D 1H-1H NOESY 250ms' 2 $sample_2 isotropic 36411 1 8 '2D JR-HMBC' 2 $sample_2 isotropic 36411 1 9 '2D 1H-15N HSQC' 2 $sample_2 isotropic 36411 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 DG H1 H 1 11.4 0.1 . 1 . . . . A 1 DG H1 . 36411 1 2 . 1 . 1 1 1 DG H1' H 1 6.017 0.2 . 1 . . . . A 1 DG H1' . 36411 1 3 . 1 . 1 1 1 DG H2' H 1 2.35 0.2 . 2 . . . . A 1 DG H2' . 36411 1 4 . 1 . 1 1 1 DG H2'' H 1 2.777 0.2 . 2 . . . . A 1 DG H2'' . 36411 1 5 . 1 . 1 1 1 DG H3' H 1 4.864 0.2 . 1 . . . . A 1 DG H3' . 36411 1 6 . 1 . 1 1 1 DG H4' H 1 4.324 0.1 . 1 . . . . A 1 DG H4' . 36411 1 7 . 1 . 1 1 1 DG H5' H 1 3.961 0.1 . 2 . . . . A 1 DG H5' . 36411 1 8 . 1 . 1 1 1 DG H5'' H 1 3.994 0.3 . 2 . . . . A 1 DG H5'' . 36411 1 9 . 1 . 1 1 1 DG H8 H 1 7.894 0.2 . 1 . . . . A 1 DG H8 . 36411 1 10 . 1 . 1 1 1 DG H21 H 1 5.575 0.5 . 2 . . . . A 1 DG H21 . 36411 1 11 . 1 . 1 1 1 DG H22 H 1 9.837 0.3 . 2 . . . . A 1 DG H22 . 36411 1 12 . 1 . 1 1 1 DG C2' C 13 43.28 1.3 . 1 . . . . A 1 DG C2' . 36411 1 13 . 1 . 1 1 1 DG C4' C 13 88.76 0.8 . 1 . . . . A 1 DG C4' . 36411 1 14 . 1 . 1 1 1 DG C5' C 13 64.49 1.1 . 1 . . . . A 1 DG C5' . 36411 1 15 . 1 . 1 1 1 DG C8 C 13 138.84 1.3 . 1 . . . . A 1 DG C8 . 36411 1 16 . 1 . 1 2 2 DG H1 H 1 11.12 0.1 . 1 . . . . A 2 DG H1 . 36411 1 17 . 1 . 1 2 2 DG H1' H 1 6.139 0.2 . 1 . . . . A 2 DG H1' . 36411 1 18 . 1 . 1 2 2 DG H2' H 1 2.648 0.2 . 2 . . . . A 2 DG H2' . 36411 1 19 . 1 . 1 2 2 DG H2'' H 1 2.938 0.2 . 2 . . . . A 2 DG H2'' . 36411 1 20 . 1 . 1 2 2 DG H3' H 1 5.013 0.2 . 1 . . . . A 2 DG H3' . 36411 1 21 . 1 . 1 2 2 DG H4' H 1 4.569 0.1 . 1 . . . . A 2 DG H4' . 36411 1 22 . 1 . 1 2 2 DG H5' H 1 4.272 0.1 . 2 . . . . A 2 DG H5' . 36411 1 23 . 1 . 1 2 2 DG H5'' H 1 4.323 0.3 . 2 . . . . A 2 DG H5'' . 36411 1 24 . 1 . 1 2 2 DG H8 H 1 7.783 0.2 . 1 . . . . A 2 DG H8 . 36411 1 25 . 1 . 1 2 2 DG H21 H 1 6.687 0.5 . 2 . . . . A 2 DG H21 . 36411 1 26 . 1 . 1 2 2 DG H22 H 1 9.142 0.3 . 2 . . . . A 2 DG H22 . 36411 1 27 . 1 . 1 2 2 DG C2' C 13 42.14 1.3 . 1 . . . . A 2 DG C2' . 36411 1 28 . 1 . 1 2 2 DG C4' C 13 87.36 0.8 . 1 . . . . A 2 DG C4' . 36411 1 29 . 1 . 1 2 2 DG C5' C 13 67.81 1.1 . 1 . . . . A 2 DG C5' . 36411 1 30 . 1 . 1 2 2 DG C8 C 13 138.27 1.3 . 1 . . . . A 2 DG C8 . 36411 1 31 . 1 . 1 3 3 DG H1 H 1 10.95 0.1 . 1 . . . . A 3 DG H1 . 36411 1 32 . 1 . 1 3 3 DG H1' H 1 6.364 0.2 . 1 . . . . A 3 DG H1' . 36411 1 33 . 1 . 1 3 3 DG H2' H 1 2.669 0.2 . 2 . . . . A 3 DG H2' . 36411 1 34 . 1 . 1 3 3 DG H2'' H 1 2.472 0.2 . 2 . . . . A 3 DG H2'' . 36411 1 35 . 1 . 1 3 3 DG H3' H 1 5.096 0.2 . 1 . . . . A 3 DG H3' . 36411 1 36 . 1 . 1 3 3 DG H4' H 1 4.602 0.1 . 1 . . . . A 3 DG H4' . 36411 1 37 . 1 . 1 3 3 DG H5' H 1 4.277 0.1 . 2 . . . . A 3 DG H5' . 36411 1 38 . 1 . 1 3 3 DG H5'' H 1 4.325 0.3 . 2 . . . . A 3 DG H5'' . 36411 1 39 . 1 . 1 3 3 DG H8 H 1 7.766 0.2 . 1 . . . . A 3 DG H8 . 36411 1 40 . 1 . 1 3 3 DG C2' C 13 41.05 1.3 . 1 . . . . A 3 DG C2' . 36411 1 41 . 1 . 1 3 3 DG C4' C 13 85.52 0.8 . 1 . . . . A 3 DG C4' . 36411 1 42 . 1 . 1 3 3 DG C5' C 13 68.75 1.1 . 1 . . . . A 3 DG C5' . 36411 1 43 . 1 . 1 3 3 DG C8 C 13 138.11 1.3 . 1 . . . . A 3 DG C8 . 36411 1 44 . 1 . 1 4 4 DT H1' H 1 6.524 0.2 . 1 . . . . A 4 DT H1' . 36411 1 45 . 1 . 1 4 4 DT H2' H 1 2.496 0.2 . 2 . . . . A 4 DT H2' . 36411 1 46 . 1 . 1 4 4 DT H2'' H 1 2.733 0.2 . 2 . . . . A 4 DT H2'' . 36411 1 47 . 1 . 1 4 4 DT H3' H 1 5.093 0.2 . 1 . . . . A 4 DT H3' . 36411 1 48 . 1 . 1 4 4 DT H4' H 1 4.588 0.1 . 1 . . . . A 4 DT H4' . 36411 1 49 . 1 . 1 4 4 DT H5' H 1 4.263 0.1 . 2 . . . . A 4 DT H5' . 36411 1 50 . 1 . 1 4 4 DT H5'' H 1 4.324 0.3 . 2 . . . . A 4 DT H5'' . 36411 1 51 . 1 . 1 4 4 DT H6 H 1 7.8387 0 . 1 . . . . A 4 DT H6 . 36411 1 52 . 1 . 1 4 4 DT C2' C 13 41.46 1.3 . 1 . . . . A 4 DT C2' . 36411 1 53 . 1 . 1 4 4 DT C4' C 13 87.32 0.8 . 1 . . . . A 4 DT C4' . 36411 1 54 . 1 . 1 4 4 DT C5 C 13 14.42 0 . 1 . . . . A 4 DT C5 . 36411 1 55 . 1 . 1 4 4 DT C5' C 13 68.24 1.1 . 1 . . . . A 4 DT C5' . 36411 1 56 . 1 . 1 4 4 DT C6 C 13 139.95 0 . 1 . . . . A 4 DT C6 . 36411 1 57 . 1 . 1 5 5 DG H1 H 1 11.21 0.1 . 1 . . . . A 5 DG H1 . 36411 1 58 . 1 . 1 5 5 DG H1' H 1 6.173 0.2 . 1 . . . . A 5 DG H1' . 36411 1 59 . 1 . 1 5 5 DG H2' H 1 2.155 0.2 . 2 . . . . A 5 DG H2' . 36411 1 60 . 1 . 1 5 5 DG H2'' H 1 2.754 0.2 . 2 . . . . A 5 DG H2'' . 36411 1 61 . 1 . 1 5 5 DG H3' H 1 5.171 0.2 . 1 . . . . A 5 DG H3' . 36411 1 62 . 1 . 1 5 5 DG H4' H 1 4.521 0.1 . 1 . . . . A 5 DG H4' . 36411 1 63 . 1 . 1 5 5 DG H5' H 1 4.324 0.1 . 2 . . . . A 5 DG H5' . 36411 1 64 . 1 . 1 5 5 DG H5'' H 1 4.372 0.3 . 2 . . . . A 5 DG H5'' . 36411 1 65 . 1 . 1 5 5 DG H8 H 1 7.85 0.2 . 1 . . . . A 5 DG H8 . 36411 1 66 . 1 . 1 5 5 DG H21 H 1 5.663 0.5 . 2 . . . . A 5 DG H21 . 36411 1 67 . 1 . 1 5 5 DG H22 H 1 9.934 0.3 . 2 . . . . A 5 DG H22 . 36411 1 68 . 1 . 1 5 5 DG C2' C 13 44.77 1.3 . 1 . . . . A 5 DG C2' . 36411 1 69 . 1 . 1 5 5 DG C4' C 13 87.58 0.8 . 1 . . . . A 5 DG C4' . 36411 1 70 . 1 . 1 5 5 DG C5' C 13 68.53 1.1 . 1 . . . . A 5 DG C5' . 36411 1 71 . 1 . 1 5 5 DG C8 C 13 138.33 1.3 . 1 . . . . A 5 DG C8 . 36411 1 72 . 1 . 1 6 6 DG H1 H 1 11.22 0.1 . 1 . . . . A 6 DG H1 . 36411 1 73 . 1 . 1 6 6 DG H1' H 1 6.08 0.2 . 1 . . . . A 6 DG H1' . 36411 1 74 . 1 . 1 6 6 DG H2' H 1 2.608 0.2 . 2 . . . . A 6 DG H2' . 36411 1 75 . 1 . 1 6 6 DG H2'' H 1 2.775 0.2 . 2 . . . . A 6 DG H2'' . 36411 1 76 . 1 . 1 6 6 DG H3' H 1 5.025 0.2 . 1 . . . . A 6 DG H3' . 36411 1 77 . 1 . 1 6 6 DG H4' H 1 4.496 0.1 . 1 . . . . A 6 DG H4' . 36411 1 78 . 1 . 1 6 6 DG H5' H 1 4.218 0.1 . 2 . . . . A 6 DG H5' . 36411 1 79 . 1 . 1 6 6 DG H5'' H 1 4.27 0.3 . 2 . . . . A 6 DG H5'' . 36411 1 80 . 1 . 1 6 6 DG H8 H 1 7.826 0.2 . 1 . . . . A 6 DG H8 . 36411 1 81 . 1 . 1 6 6 DG H21 H 1 6.301 0.5 . 2 . . . . A 6 DG H21 . 36411 1 82 . 1 . 1 6 6 DG H22 H 1 9.339 0.3 . 2 . . . . A 6 DG H22 . 36411 1 83 . 1 . 1 6 6 DG C2' C 13 42.3 1.3 . 1 . . . . A 6 DG C2' . 36411 1 84 . 1 . 1 6 6 DG C4' C 13 87.11 0.8 . 1 . . . . A 6 DG C4' . 36411 1 85 . 1 . 1 6 6 DG C5' C 13 68.66 1.1 . 1 . . . . A 6 DG C5' . 36411 1 86 . 1 . 1 6 6 DG C8 C 13 138.43 1.3 . 1 . . . . A 6 DG C8 . 36411 1 87 . 1 . 1 7 7 DG H1 H 1 11.14 0.1 . 1 . . . . A 7 DG H1 . 36411 1 88 . 1 . 1 7 7 DG H1' H 1 6.155 0.2 . 1 . . . . A 7 DG H1' . 36411 1 89 . 1 . 1 7 7 DG H2' H 1 2.654 0.2 . 2 . . . . A 7 DG H2' . 36411 1 90 . 1 . 1 7 7 DG H2'' H 1 2.424 0.2 . 2 . . . . A 7 DG H2'' . 36411 1 91 . 1 . 1 7 7 DG H3' H 1 4.941 0.2 . 1 . . . . A 7 DG H3' . 36411 1 92 . 1 . 1 7 7 DG H4' H 1 4.296 0.1 . 1 . . . . A 7 DG H4' . 36411 1 93 . 1 . 1 7 7 DG H5' H 1 4.19 0.1 . 2 . . . . A 7 DG H5' . 36411 1 94 . 1 . 1 7 7 DG H5'' H 1 4.289 0.3 . 2 . . . . A 7 DG H5'' . 36411 1 95 . 1 . 1 7 7 DG H8 H 1 7.758 0.2 . 1 . . . . A 7 DG H8 . 36411 1 96 . 1 . 1 7 7 DG C2' C 13 42.75 1.3 . 1 . . . . A 7 DG C2' . 36411 1 97 . 1 . 1 7 7 DG C4' C 13 87.59 0.8 . 1 . . . . A 7 DG C4' . 36411 1 98 . 1 . 1 7 7 DG C5' C 13 69.11 1.1 . 1 . . . . A 7 DG C5' . 36411 1 99 . 1 . 1 7 7 DG C8 C 13 138.04 1.3 . 1 . . . . A 7 DG C8 . 36411 1 100 . 1 . 1 8 8 DT H1' H 1 6.436 0.2 . 1 . . . . A 8 DT H1' . 36411 1 101 . 1 . 1 8 8 DT H2' H 1 2.374 0.2 . 2 . . . . A 8 DT H2' . 36411 1 102 . 1 . 1 8 8 DT H2'' H 1 2.585 0.2 . 2 . . . . A 8 DT H2'' . 36411 1 103 . 1 . 1 8 8 DT H3' H 1 4.699 0.2 . 1 . . . . A 8 DT H3' . 36411 1 104 . 1 . 1 8 8 DT H4' H 1 4.413 0.1 . 1 . . . . A 8 DT H4' . 36411 1 105 . 1 . 1 8 8 DT H5' H 1 4.038 0.1 . 2 . . . . A 8 DT H5' . 36411 1 106 . 1 . 1 8 8 DT H5'' H 1 4.018 0.3 . 2 . . . . A 8 DT H5'' . 36411 1 107 . 1 . 1 8 8 DT H6 H 1 7.775 0 . 1 . . . . A 8 DT H6 . 36411 1 108 . 1 . 1 8 8 DT C2' C 13 41.22 1.3 . 1 . . . . A 8 DT C2' . 36411 1 109 . 1 . 1 8 8 DT C4' C 13 87.04 0.8 . 1 . . . . A 8 DT C4' . 36411 1 110 . 1 . 1 8 8 DT C5 C 13 14.36 0 . 1 . . . . A 8 DT C5 . 36411 1 111 . 1 . 1 8 8 DT C5' C 13 68.44 1.1 . 1 . . . . A 8 DT C5' . 36411 1 112 . 1 . 1 8 8 DT C6 C 13 139.98 0 . 1 . . . . A 8 DT C6 . 36411 1 113 . 1 . 1 9 9 DT H1' H 1 6.548 0.2 . 1 . . . . A 9 DT H1' . 36411 1 114 . 1 . 1 9 9 DT H2' H 1 2.641 0.2 . 2 . . . . A 9 DT H2' . 36411 1 115 . 1 . 1 9 9 DT H2'' H 1 2.705 0.2 . 2 . . . . A 9 DT H2'' . 36411 1 116 . 1 . 1 9 9 DT H3' H 1 5.01 0.2 . 1 . . . . A 9 DT H3' . 36411 1 117 . 1 . 1 9 9 DT H4' H 1 4.471 0.1 . 1 . . . . A 9 DT H4' . 36411 1 118 . 1 . 1 9 9 DT H5' H 1 4.166 0.1 . 2 . . . . A 9 DT H5' . 36411 1 119 . 1 . 1 9 9 DT H5'' H 1 4.2 0.3 . 2 . . . . A 9 DT H5'' . 36411 1 120 . 1 . 1 9 9 DT H6 H 1 7.826 0 . 1 . . . . A 9 DT H6 . 36411 1 121 . 1 . 1 9 9 DT C2' C 13 39.66 1.3 . 1 . . . . A 9 DT C2' . 36411 1 122 . 1 . 1 9 9 DT C4' C 13 86.94 0.8 . 1 . . . . A 9 DT C4' . 36411 1 123 . 1 . 1 9 9 DT C5 C 13 14.36 0 . 1 . . . . A 9 DT C5 . 36411 1 124 . 1 . 1 9 9 DT C5' C 13 68.77 1.1 . 1 . . . . A 9 DT C5' . 36411 1 125 . 1 . 1 9 9 DT C6 C 13 140.7 0 . 1 . . . . A 9 DT C6 . 36411 1 126 . 1 . 1 10 10 DG H1 H 1 11.33 0.1 . 1 . . . . A 10 DG H1 . 36411 1 127 . 1 . 1 10 10 DG H1' H 1 6.139 0.2 . 1 . . . . A 10 DG H1' . 36411 1 128 . 1 . 1 10 10 DG H2' H 1 2.221 0.2 . 2 . . . . A 10 DG H2' . 36411 1 129 . 1 . 1 10 10 DG H2'' H 1 2.763 0.2 . 2 . . . . A 10 DG H2'' . 36411 1 130 . 1 . 1 10 10 DG H3' H 1 5.04 0.2 . 1 . . . . A 10 DG H3' . 36411 1 131 . 1 . 1 10 10 DG H4' H 1 4.472 0.1 . 1 . . . . A 10 DG H4' . 36411 1 132 . 1 . 1 10 10 DG H5' H 1 4.13 0.1 . 2 . . . . A 10 DG H5' . 36411 1 133 . 1 . 1 10 10 DG H5'' H 1 4.352 0.3 . 2 . . . . A 10 DG H5'' . 36411 1 134 . 1 . 1 10 10 DG H8 H 1 7.892 0.2 . 1 . . . . A 10 DG H8 . 36411 1 135 . 1 . 1 10 10 DG H21 H 1 5.504 0.5 . 2 . . . . A 10 DG H21 . 36411 1 136 . 1 . 1 10 10 DG H22 H 1 9.804 0.3 . 2 . . . . A 10 DG H22 . 36411 1 137 . 1 . 1 10 10 DG C2' C 13 43.21 1.3 . 1 . . . . A 10 DG C2' . 36411 1 138 . 1 . 1 10 10 DG C4' C 13 86.93 0.8 . 1 . . . . A 10 DG C4' . 36411 1 139 . 1 . 1 10 10 DG C5' C 13 67.62 1.1 . 1 . . . . A 10 DG C5' . 36411 1 140 . 1 . 1 10 10 DG C8 C 13 138.43 1.3 . 1 . . . . A 10 DG C8 . 36411 1 141 . 1 . 1 11 11 DG H1 H 1 11.12 0.1 . 1 . . . . A 11 DG H1 . 36411 1 142 . 1 . 1 11 11 DG H1' H 1 6.136 0.2 . 1 . . . . A 11 DG H1' . 36411 1 143 . 1 . 1 11 11 DG H2' H 1 2.623 0.2 . 2 . . . . A 11 DG H2' . 36411 1 144 . 1 . 1 11 11 DG H2'' H 1 2.944 0.2 . 2 . . . . A 11 DG H2'' . 36411 1 145 . 1 . 1 11 11 DG H3' H 1 5.025 0.2 . 1 . . . . A 11 DG H3' . 36411 1 146 . 1 . 1 11 11 DG H4' H 1 4.549 0.1 . 1 . . . . A 11 DG H4' . 36411 1 147 . 1 . 1 11 11 DG H5' H 1 4.218 0.1 . 2 . . . . A 11 DG H5' . 36411 1 148 . 1 . 1 11 11 DG H5'' H 1 4.283 0.3 . 2 . . . . A 11 DG H5'' . 36411 1 149 . 1 . 1 11 11 DG H8 H 1 7.672 0.2 . 1 . . . . A 11 DG H8 . 36411 1 150 . 1 . 1 11 11 DG H21 H 1 6.625 0.5 . 2 . . . . A 11 DG H21 . 36411 1 151 . 1 . 1 11 11 DG H22 H 1 9.181 0.3 . 2 . . . . A 11 DG H22 . 36411 1 152 . 1 . 1 11 11 DG C2' C 13 42.35 1.3 . 1 . . . . A 11 DG C2' . 36411 1 153 . 1 . 1 11 11 DG C4' C 13 87.35 0.8 . 1 . . . . A 11 DG C4' . 36411 1 154 . 1 . 1 11 11 DG C5' C 13 68.66 1.1 . 1 . . . . A 11 DG C5' . 36411 1 155 . 1 . 1 11 11 DG C8 C 13 138.04 1.3 . 1 . . . . A 11 DG C8 . 36411 1 156 . 1 . 1 12 12 DG H1 H 1 11.04 0.1 . 1 . . . . A 12 DG H1 . 36411 1 157 . 1 . 1 12 12 DG H1' H 1 6.346 0.2 . 1 . . . . A 12 DG H1' . 36411 1 158 . 1 . 1 12 12 DG H2' H 1 2.688 0.2 . 2 . . . . A 12 DG H2' . 36411 1 159 . 1 . 1 12 12 DG H2'' H 1 2.458 0.2 . 2 . . . . A 12 DG H2'' . 36411 1 160 . 1 . 1 12 12 DG H3' H 1 5.098 0.2 . 1 . . . . A 12 DG H3' . 36411 1 161 . 1 . 1 12 12 DG H4' H 1 4.608 0.1 . 1 . . . . A 12 DG H4' . 36411 1 162 . 1 . 1 12 12 DG H5' H 1 4.28 0.1 . 2 . . . . A 12 DG H5' . 36411 1 163 . 1 . 1 12 12 DG H5'' H 1 4.325 0.3 . 2 . . . . A 12 DG H5'' . 36411 1 164 . 1 . 1 12 12 DG H8 H 1 7.775 0.2 . 1 . . . . A 12 DG H8 . 36411 1 165 . 1 . 1 12 12 DG C2' C 13 41.07 1.3 . 1 . . . . A 12 DG C2' . 36411 1 166 . 1 . 1 12 12 DG C4' C 13 85.55 0.8 . 1 . . . . A 12 DG C4' . 36411 1 167 . 1 . 1 12 12 DG C5' C 13 68.63 1.1 . 1 . . . . A 12 DG C5' . 36411 1 168 . 1 . 1 12 12 DG C8 C 13 138.18 1.3 . 1 . . . . A 12 DG C8 . 36411 1 169 . 1 . 1 13 13 DA H1' H 1 6.669 0.2 . 1 . . . . A 13 DA H1' . 36411 1 170 . 1 . 1 13 13 DA H2' H 1 2.961 0.2 . 2 . . . . A 13 DA H2' . 36411 1 171 . 1 . 1 13 13 DA H3' H 1 5.206 0.2 . 1 . . . . A 13 DA H3' . 36411 1 172 . 1 . 1 13 13 DA H4' H 1 4.645 0.1 . 1 . . . . A 13 DA H4' . 36411 1 173 . 1 . 1 13 13 DA H5' H 1 4.283 0.1 . 2 . . . . A 13 DA H5' . 36411 1 174 . 1 . 1 13 13 DA H5'' H 1 4.613 0.3 . 2 . . . . A 13 DA H5'' . 36411 1 175 . 1 . 1 13 13 DA C2' C 13 42.05 1.3 . 1 . . . . A 13 DA C2' . 36411 1 176 . 1 . 1 13 13 DA C4' C 13 87.39 0.8 . 1 . . . . A 13 DA C4' . 36411 1 177 . 1 . 1 13 13 DA C5' C 13 67.2 1.1 . 1 . . . . A 13 DA C5' . 36411 1 178 . 1 . 1 13 13 DA C8 C 13 142.7 1.3 . 1 . . . . A 13 DA C8 . 36411 1 179 . 1 . 1 14 14 DG H1 H 1 11.09 0.1 . 1 . . . . A 14 DG H1 . 36411 1 180 . 1 . 1 14 14 DG H1' H 1 6.236 0.2 . 1 . . . . A 14 DG H1' . 36411 1 181 . 1 . 1 14 14 DG H2' H 1 2.214 0.2 . 2 . . . . A 14 DG H2' . 36411 1 182 . 1 . 1 14 14 DG H2'' H 1 2.767 0.2 . 2 . . . . A 14 DG H2'' . 36411 1 183 . 1 . 1 14 14 DG H3' H 1 5.232 0.2 . 1 . . . . A 14 DG H3' . 36411 1 184 . 1 . 1 14 14 DG H4' H 1 4.559 0.1 . 1 . . . . A 14 DG H4' . 36411 1 185 . 1 . 1 14 14 DG H5' H 1 4.339 0.1 . 2 . . . . A 14 DG H5' . 36411 1 186 . 1 . 1 14 14 DG H5'' H 1 4.412 0.3 . 2 . . . . A 14 DG H5'' . 36411 1 187 . 1 . 1 14 14 DG H8 H 1 7.876 0.2 . 1 . . . . A 14 DG H8 . 36411 1 188 . 1 . 1 14 14 DG H21 H 1 5.648 0.5 . 2 . . . . A 14 DG H21 . 36411 1 189 . 1 . 1 14 14 DG H22 H 1 9.778 0.3 . 2 . . . . A 14 DG H22 . 36411 1 190 . 1 . 1 14 14 DG C2' C 13 44.71 1.3 . 1 . . . . A 14 DG C2' . 36411 1 191 . 1 . 1 14 14 DG C4' C 13 87.53 0.8 . 1 . . . . A 14 DG C4' . 36411 1 192 . 1 . 1 14 14 DG C5' C 13 68.66 1.1 . 1 . . . . A 14 DG C5' . 36411 1 193 . 1 . 1 14 14 DG C8 C 13 138.4 1.3 . 1 . . . . A 14 DG C8 . 36411 1 194 . 1 . 1 15 15 DG H1 H 1 11.14 0.1 . 1 . . . . A 15 DG H1 . 36411 1 195 . 1 . 1 15 15 DG H1' H 1 6.054 0.2 . 1 . . . . A 15 DG H1' . 36411 1 196 . 1 . 1 15 15 DG H2' H 1 2.657 0.2 . 2 . . . . A 15 DG H2' . 36411 1 197 . 1 . 1 15 15 DG H2'' H 1 2.882 0.2 . 2 . . . . A 15 DG H2'' . 36411 1 198 . 1 . 1 15 15 DG H3' H 1 5.059 0.2 . 1 . . . . A 15 DG H3' . 36411 1 199 . 1 . 1 15 15 DG H4' H 1 4.549 0.1 . 1 . . . . A 15 DG H4' . 36411 1 200 . 1 . 1 15 15 DG H5' H 1 4.209 0.1 . 2 . . . . A 15 DG H5' . 36411 1 201 . 1 . 1 15 15 DG H5'' H 1 4.332 0.3 . 2 . . . . A 15 DG H5'' . 36411 1 202 . 1 . 1 15 15 DG H8 H 1 7.822 0.2 . 1 . . . . A 15 DG H8 . 36411 1 203 . 1 . 1 15 15 DG H21 H 1 6.051 0.5 . 2 . . . . A 15 DG H21 . 36411 1 204 . 1 . 1 15 15 DG H22 H 1 9.348 0.3 . 2 . . . . A 15 DG H22 . 36411 1 205 . 1 . 1 15 15 DG C2' C 13 41.91 1.3 . 1 . . . . A 15 DG C2' . 36411 1 206 . 1 . 1 15 15 DG C4' C 13 87.34 0.8 . 1 . . . . A 15 DG C4' . 36411 1 207 . 1 . 1 15 15 DG C5' C 13 68.72 1.1 . 1 . . . . A 15 DG C5' . 36411 1 208 . 1 . 1 15 15 DG C8 C 13 138.32 1.3 . 1 . . . . A 15 DG C8 . 36411 1 209 . 1 . 1 16 16 DG H1 H 1 11.12 0.1 . 1 . . . . A 16 DG H1 . 36411 1 210 . 1 . 1 16 16 DG H1' H 1 6.268 0.2 . 1 . . . . A 16 DG H1' . 36411 1 211 . 1 . 1 16 16 DG H2' H 1 2.525 0.2 . 2 . . . . A 16 DG H2' . 36411 1 212 . 1 . 1 16 16 DG H2'' H 1 2.324 0.2 . 2 . . . . A 16 DG H2'' . 36411 1 213 . 1 . 1 16 16 DG H3' H 1 4.673 0.2 . 1 . . . . A 16 DG H3' . 36411 1 214 . 1 . 1 16 16 DG H4' H 1 4.325 0.1 . 1 . . . . A 16 DG H4' . 36411 1 215 . 1 . 1 16 16 DG H5' H 1 4.244 0.1 . 2 . . . . A 16 DG H5' . 36411 1 216 . 1 . 1 16 16 DG H8 H 1 7.687 0.2 . 1 . . . . A 16 DG H8 . 36411 1 217 . 1 . 1 16 16 DG C2' C 13 42.72 1.3 . 1 . . . . A 16 DG C2' . 36411 1 218 . 1 . 1 16 16 DG C4' C 13 88.33 0.8 . 1 . . . . A 16 DG C4' . 36411 1 219 . 1 . 1 16 16 DG C5' C 13 68.68 1.1 . 1 . . . . A 16 DG C5' . 36411 1 220 . 1 . 1 16 16 DG C8 C 13 138.05 1.3 . 1 . . . . A 16 DG C8 . 36411 1 stop_ save_