data_31254 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31254 _Entry.Title ; Hybrid-1 form of human telomere DNA quadruplex with wild-type 5'-flanking in K+ solution ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-06-25 _Entry.Accession_date 2025-06-25 _Entry.Last_release_date 2025-07-25 _Entry.Original_release_date 2025-07-25 _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 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 J. Dickerhoff J. . . . 31254 2 D. Yang D. . . . 31254 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DNA . 31254 G-quadruplex . 31254 'human telomere' . 31254 hybrid-1 . 31254 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 31254 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 288 31254 '1H chemical shifts' 459 31254 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 . . 2026-05-07 . original BMRB . 31254 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 9PA0 'BMRB Entry Tracking System' 31254 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31254 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR Structure Study of DNA G-quadruplexes and Ligand Interactions ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 J. Dickerhoff J. . . . 31254 1 2 D. Yang D. . . . 31254 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31254 _Assembly.ID 1 _Assembly.Name "DNA (5'-D(*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*A)-3')" _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 X yes . . . . . . 31254 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31254 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID X _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TAGGGTTAGGGTTAGGGTTA GGGA ; _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 24 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7600.897 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 2 DT . 31254 1 2 3 DA . 31254 1 3 4 DG . 31254 1 4 5 DG . 31254 1 5 6 DG . 31254 1 6 7 DT . 31254 1 7 8 DT . 31254 1 8 9 DA . 31254 1 9 10 DG . 31254 1 10 11 DG . 31254 1 11 12 DG . 31254 1 12 13 DT . 31254 1 13 14 DT . 31254 1 14 15 DA . 31254 1 15 16 DG . 31254 1 16 17 DG . 31254 1 17 18 DG . 31254 1 18 19 DT . 31254 1 19 20 DT . 31254 1 20 21 DA . 31254 1 21 22 DG . 31254 1 22 23 DG . 31254 1 23 24 DG . 31254 1 24 25 DA . 31254 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 . DT 1 1 31254 1 . DA 2 2 31254 1 . DG 3 3 31254 1 . DG 4 4 31254 1 . DG 5 5 31254 1 . DT 6 6 31254 1 . DT 7 7 31254 1 . DA 8 8 31254 1 . DG 9 9 31254 1 . DG 10 10 31254 1 . DG 11 11 31254 1 . DT 12 12 31254 1 . DT 13 13 31254 1 . DA 14 14 31254 1 . DG 15 15 31254 1 . DG 16 16 31254 1 . DG 17 17 31254 1 . DT 18 18 31254 1 . DT 19 19 31254 1 . DA 20 20 31254 1 . DG 21 21 31254 1 . DG 22 22 31254 1 . DG 23 23 31254 1 . DA 24 24 31254 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 31254 _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 . . . . . . . . . . . . . 31254 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 31254 _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' . . . . . . . . . . . . . . . . 31254 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31254 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.9 mM DNA (5'-D(*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*A)-3'), 10 mM potassium cyanide, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 "DNA (5'-D(*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*A)-3')" 'natural abundance' . . 1 $entity_1 . . 1.9 . . mM . . . . 31254 1 2 'potassium cyanide' 'natural abundance' . . . . . . 10 . . mM . . . . 31254 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 31254 _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 31254 1 pH 7 . pH 31254 1 pressure 1 . atm 31254 1 temperature 298 . K 31254 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 31254 _Sample_condition_list.ID 2 _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 31254 2 pH 7 . pH 31254 2 pressure 1 . atm 31254 2 temperature 288 . K 31254 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31254 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 31254 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 31254 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31254 _Software.ID 2 _Software.Type . _Software.Name Amber _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, and Kollman' . . 31254 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 31254 2 'structure calculation' . 31254 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 31254 _Software.ID 3 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 31254 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 31254 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 31254 _Software.ID 4 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 31254 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 31254 4 'peak picking' . 31254 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 31254 _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 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 31254 _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' . 800 . . . 31254 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 31254 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31254 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31254 1 3 '2D DQF-COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31254 1 4 '2D 1H-13C HMBC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31254 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31254 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31254 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 31254 _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 . . . . . 31254 1 H 1 water protons . . . . ppm 4.78 internal direct 1.0 . . . . . 31254 1 stop_ save_ save_chem_shift_reference_2 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_2 _Chem_shift_reference.Entry_ID 31254 _Chem_shift_reference.ID 2 _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 . . . . . 31254 2 H 1 water protons . . . . ppm 4.90 internal direct 1.0 . . . . . 31254 2 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 31254 _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' . . . 31254 1 2 '2D 1H-13C HSQC' . . . 31254 1 3 '2D DQF-COSY' . . . 31254 1 4 '2D 1H-13C HMBC' . . . 31254 1 5 '2D 1H-1H NOESY' . . . 31254 1 6 '2D 1H-13C HSQC' . . . 31254 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 DT H1' H 1 5.665 0.001 . 1 . . 35 . X 2 DT H1' . 31254 1 2 . 1 . 1 1 1 DT H2' H 1 1.880 0.003 . 1 . . 37 . X 2 DT H2' . 31254 1 3 . 1 . 1 1 1 DT H2'' H 1 2.294 0.003 . 1 . . 36 . X 2 DT H2'' . 31254 1 4 . 1 . 1 1 1 DT H3' H 1 4.535 0.001 . 1 . . 85 . X 2 DT H3' . 31254 1 5 . 1 . 1 1 1 DT H4' H 1 4.053 0.002 . 1 . . 84 . X 2 DT H4' . 31254 1 6 . 1 . 1 1 1 DT H5' H 1 3.557 0.002 . 2 . . 81 . X 2 DT H5' . 31254 1 7 . 1 . 1 1 1 DT H5'' H 1 3.623 0.002 . 2 . . 82 . X 2 DT H5'' . 31254 1 8 . 1 . 1 1 1 DT H6 H 1 7.221 0.0 . 1 . . 17 . X 2 DT H6 . 31254 1 9 . 1 . 1 1 1 DT H71 H 1 1.377 0.001 . 1 . . 18 . X 2 DT H71 . 31254 1 10 . 1 . 1 1 1 DT H72 H 1 1.377 0.001 . 1 . . 18 . X 2 DT H72 . 31254 1 11 . 1 . 1 1 1 DT H73 H 1 1.377 0.001 . 1 . . 18 . X 2 DT H73 . 31254 1 12 . 1 . 1 1 1 DT C1' C 13 89.177 . . 1 . . 91 . X 2 DT C1' . 31254 1 13 . 1 . 1 1 1 DT C2' C 13 41.275 0.012 . 1 . . 700 . X 2 DT C2' . 31254 1 14 . 1 . 1 1 1 DT C3' C 13 78.902 . . 1 . . 625 . X 2 DT C3' . 31254 1 15 . 1 . 1 1 1 DT C4' C 13 89.006 . . 1 . . 223 . X 2 DT C4' . 31254 1 16 . 1 . 1 1 1 DT C5' C 13 64.063 0.006 . 1 . . 83 . X 2 DT C5' . 31254 1 17 . 1 . 1 1 1 DT C6 C 13 139.194 . . 1 . . 38 . X 2 DT C6 . 31254 1 18 . 1 . 1 1 1 DT C7 C 13 14.595 . . 1 . . 718 . X 2 DT C7 . 31254 1 19 . 1 . 1 2 2 DA H1' H 1 6.251 0.001 . 1 . . 54 . X 3 DA H1' . 31254 1 20 . 1 . 1 2 2 DA H2 H 1 7.839 0.001 . 1 . . 66 . X 3 DA H2 . 31254 1 21 . 1 . 1 2 2 DA H2' H 1 2.271 0.001 . 1 . . 56 . X 3 DA H2' . 31254 1 22 . 1 . 1 2 2 DA H2'' H 1 2.591 0.001 . 1 . . 55 . X 3 DA H2'' . 31254 1 23 . 1 . 1 2 2 DA H3' H 1 4.794 0.001 . 1 . . 86 . X 3 DA H3' . 31254 1 24 . 1 . 1 2 2 DA H4' H 1 4.111 0.002 . 1 . . 149 . X 3 DA H4' . 31254 1 25 . 1 . 1 2 2 DA H5' H 1 3.653 0.002 . 2 . . 88 . X 3 DA H5' . 31254 1 26 . 1 . 1 2 2 DA H5'' H 1 3.012 0.002 . 2 . . 89 . X 3 DA H5'' . 31254 1 27 . 1 . 1 2 2 DA H8 H 1 8.093 0.001 . 1 . . 52 . X 3 DA H8 . 31254 1 28 . 1 . 1 2 2 DA C1' C 13 86.928 . . 1 . . 87 . X 3 DA C1' . 31254 1 29 . 1 . 1 2 2 DA C2 C 13 154.598 . . 1 . . 67 . X 3 DA C2 . 31254 1 30 . 1 . 1 2 2 DA C2' C 13 42.877 0.012 . 1 . . 698 . X 3 DA C2' . 31254 1 31 . 1 . 1 2 2 DA C4' C 13 87.026 . . 1 . . 224 . X 3 DA C4' . 31254 1 32 . 1 . 1 2 2 DA C5' C 13 67.427 . . 1 . . 90 . X 3 DA C5' . 31254 1 33 . 1 . 1 2 2 DA C8 C 13 141.664 . . 1 . . 53 . X 3 DA C8 . 31254 1 34 . 1 . 1 3 3 DG H1 H 1 11.806 0.001 . 1 . . 254 . X 4 DG H1 . 31254 1 35 . 1 . 1 3 3 DG H1' H 1 5.962 0.001 . 1 . . 96 . X 4 DG H1' . 31254 1 36 . 1 . 1 3 3 DG H2' H 1 3.389 0.001 . 1 . . 104 . X 4 DG H2' . 31254 1 37 . 1 . 1 3 3 DG H2'' H 1 2.942 0.001 . 1 . . 103 . X 4 DG H2'' . 31254 1 38 . 1 . 1 3 3 DG H3' H 1 4.829 0.001 . 1 . . 150 . X 4 DG H3' . 31254 1 39 . 1 . 1 3 3 DG H4' H 1 4.421 0.002 . 1 . . 665 . X 4 DG H4' . 31254 1 40 . 1 . 1 3 3 DG H5' H 1 4.261 0.0 . 2 . . 168 . X 4 DG H5' . 31254 1 41 . 1 . 1 3 3 DG H5'' H 1 4.226 0.001 . 2 . . 170 . X 4 DG H5'' . 31254 1 42 . 1 . 1 3 3 DG H8 H 1 7.263 0.002 . 1 . . 95 . X 4 DG H8 . 31254 1 43 . 1 . 1 3 3 DG C1' C 13 89.389 . . 1 . . 229 . X 4 DG C1' . 31254 1 44 . 1 . 1 3 3 DG C2' C 13 35.585 . . 1 . . 269 . X 4 DG C2' . 31254 1 45 . 1 . 1 3 3 DG C4' C 13 88.091 . . 1 . . 672 . X 4 DG C4' . 31254 1 46 . 1 . 1 3 3 DG C5' C 13 69.537 . . 1 . . 169 . X 4 DG C5' . 31254 1 47 . 1 . 1 3 3 DG C8 C 13 141.622 . . 1 . . 97 . X 4 DG C8 . 31254 1 48 . 1 . 1 4 4 DG H1 H 1 11.659 0.001 . 1 . . 252 . X 5 DG H1 . 31254 1 49 . 1 . 1 4 4 DG H1' H 1 5.767 0.001 . 1 . . 107 . X 5 DG H1' . 31254 1 50 . 1 . 1 4 4 DG H2' H 1 2.577 0.002 . 1 . . 109 . X 5 DG H2' . 31254 1 51 . 1 . 1 4 4 DG H2'' H 1 2.617 0.002 . 1 . . 108 . X 5 DG H2'' . 31254 1 52 . 1 . 1 4 4 DG H3' H 1 5.028 0.002 . 1 . . 206 . X 5 DG H3' . 31254 1 53 . 1 . 1 4 4 DG H4' H 1 4.329 0.001 . 1 . . 207 . X 5 DG H4' . 31254 1 54 . 1 . 1 4 4 DG H5' H 1 4.312 0.002 . 2 . . 176 . X 5 DG H5' . 31254 1 55 . 1 . 1 4 4 DG H5'' H 1 4.237 0.003 . 2 . . 178 . X 5 DG H5'' . 31254 1 56 . 1 . 1 4 4 DG H8 H 1 7.960 0.001 . 1 . . 105 . X 5 DG H8 . 31254 1 57 . 1 . 1 4 4 DG C1' C 13 83.430 . . 1 . . 236 . X 5 DG C1' . 31254 1 58 . 1 . 1 4 4 DG C2' C 13 42.166 0.002 . 1 . . 714 . X 5 DG C2' . 31254 1 59 . 1 . 1 4 4 DG C3' C 13 77.247 . . 1 . . 621 . X 5 DG C3' . 31254 1 60 . 1 . 1 4 4 DG C4' C 13 86.374 . . 1 . . 673 . X 5 DG C4' . 31254 1 61 . 1 . 1 4 4 DG C5' C 13 67.241 0.008 . 1 . . 177 . X 5 DG C5' . 31254 1 62 . 1 . 1 4 4 DG C8 C 13 138.758 . . 1 . . 106 . X 5 DG C8 . 31254 1 63 . 1 . 1 5 5 DG H1 H 1 10.980 0.002 . 1 . . 151 . X 6 DG H1 . 31254 1 64 . 1 . 1 5 5 DG H1' H 1 6.388 0.002 . 1 . . 112 . X 6 DG H1' . 31254 1 65 . 1 . 1 5 5 DG H2' H 1 2.594 0.002 . 1 . . 113 . X 6 DG H2' . 31254 1 66 . 1 . 1 5 5 DG H2'' H 1 2.594 0.001 . 1 . . 114 . X 6 DG H2'' . 31254 1 67 . 1 . 1 5 5 DG H3' H 1 5.044 0.002 . 1 . . 202 . X 6 DG H3' . 31254 1 68 . 1 . 1 5 5 DG H4' H 1 4.389 0.001 . 1 . . 203 . X 6 DG H4' . 31254 1 69 . 1 . 1 5 5 DG H5' H 1 4.109 0.002 . 2 . . 204 . X 6 DG H5' . 31254 1 70 . 1 . 1 5 5 DG H5'' H 1 4.168 0.002 . 2 . . 205 . X 6 DG H5'' . 31254 1 71 . 1 . 1 5 5 DG H8 H 1 7.814 0.001 . 1 . . 110 . X 6 DG H8 . 31254 1 72 . 1 . 1 5 5 DG C1' C 13 85.311 . . 1 . . 135 . X 6 DG C1' . 31254 1 73 . 1 . 1 5 5 DG C2' C 13 43.463 . . 1 . . 728 . X 6 DG C2' . 31254 1 74 . 1 . 1 5 5 DG C3' C 13 79.541 . . 1 . . 623 . X 6 DG C3' . 31254 1 75 . 1 . 1 5 5 DG C4' C 13 87.321 . . 1 . . 687 . X 6 DG C4' . 31254 1 76 . 1 . 1 5 5 DG C5' C 13 68.747 . . 1 . . 642 . X 6 DG C5' . 31254 1 77 . 1 . 1 5 5 DG C8 C 13 137.381 . . 1 . . 111 . X 6 DG C8 . 31254 1 78 . 1 . 1 6 6 DT H1' H 1 6.401 0.001 . 1 . . 20 . X 7 DT H1' . 31254 1 79 . 1 . 1 6 6 DT H2' H 1 2.457 0.001 . 1 . . 21 . X 7 DT H2' . 31254 1 80 . 1 . 1 6 6 DT H2'' H 1 2.564 0.002 . 1 . . 22 . X 7 DT H2'' . 31254 1 81 . 1 . 1 6 6 DT H3' H 1 4.864 0.0 . 1 . . 198 . X 7 DT H3' . 31254 1 82 . 1 . 1 6 6 DT H4' H 1 4.379 0.003 . 1 . . 199 . X 7 DT H4' . 31254 1 83 . 1 . 1 6 6 DT H5' H 1 4.073 0.001 . 2 . . 175 . X 7 DT H5' . 31254 1 84 . 1 . 1 6 6 DT H5'' H 1 4.193 0.002 . 2 . . 201 . X 7 DT H5'' . 31254 1 85 . 1 . 1 6 6 DT H6 H 1 7.750 0.0 . 1 . . 9 . X 7 DT H6 . 31254 1 86 . 1 . 1 6 6 DT H71 H 1 2.003 0.002 . 1 . . 10 . X 7 DT H71 . 31254 1 87 . 1 . 1 6 6 DT H72 H 1 2.003 0.002 . 1 . . 10 . X 7 DT H72 . 31254 1 88 . 1 . 1 6 6 DT H73 H 1 2.003 0.002 . 1 . . 10 . X 7 DT H73 . 31254 1 89 . 1 . 1 6 6 DT C1' C 13 87.868 . . 1 . . 134 . X 7 DT C1' . 31254 1 90 . 1 . 1 6 6 DT C2' C 13 40.733 . . 1 . . 699 . X 7 DT C2' . 31254 1 91 . 1 . 1 6 6 DT C4' C 13 87.060 . . 1 . . 675 . X 7 DT C4' . 31254 1 92 . 1 . 1 6 6 DT C5' C 13 68.621 0.004 . 1 . . 174 . X 7 DT C5' . 31254 1 93 . 1 . 1 6 6 DT C6 C 13 139.949 . . 1 . . 19 . X 7 DT C6 . 31254 1 94 . 1 . 1 6 6 DT C7 C 13 14.651 . . 1 . . 723 . X 7 DT C7 . 31254 1 95 . 1 . 1 7 7 DT H1' H 1 6.228 0.001 . 1 . . 23 . X 8 DT H1' . 31254 1 96 . 1 . 1 7 7 DT H2' H 1 2.135 0.001 . 1 . . 25 . X 8 DT H2' . 31254 1 97 . 1 . 1 7 7 DT H2'' H 1 2.436 0.003 . 1 . . 24 . X 8 DT H2'' . 31254 1 98 . 1 . 1 7 7 DT H3' H 1 4.390 0.001 . 1 . . 196 . X 8 DT H3' . 31254 1 99 . 1 . 1 7 7 DT H4' H 1 4.283 0.001 . 1 . . 197 . X 8 DT H4' . 31254 1 100 . 1 . 1 7 7 DT H5' H 1 4.090 0.005 . 2 . . 654 . X 8 DT H5' . 31254 1 101 . 1 . 1 7 7 DT H5'' H 1 4.108 0.004 . 2 . . 656 . X 8 DT H5'' . 31254 1 102 . 1 . 1 7 7 DT H6 H 1 7.632 0.001 . 1 . . 13 . X 8 DT H6 . 31254 1 103 . 1 . 1 7 7 DT H71 H 1 2.019 0.001 . 1 . . 14 . X 8 DT H71 . 31254 1 104 . 1 . 1 7 7 DT H72 H 1 2.019 0.001 . 1 . . 14 . X 8 DT H72 . 31254 1 105 . 1 . 1 7 7 DT H73 H 1 2.019 0.001 . 1 . . 14 . X 8 DT H73 . 31254 1 106 . 1 . 1 7 7 DT C1' C 13 87.717 . . 1 . . 136 . X 8 DT C1' . 31254 1 107 . 1 . 1 7 7 DT C2' C 13 40.170 0.008 . 1 . . 713 . X 8 DT C2' . 31254 1 108 . 1 . 1 7 7 DT C4' C 13 86.965 . . 1 . . 676 . X 8 DT C4' . 31254 1 109 . 1 . 1 7 7 DT C5' C 13 68.160 0.006 . 1 . . 655 . X 8 DT C5' . 31254 1 110 . 1 . 1 7 7 DT C6 C 13 139.795 . . 1 . . 26 . X 8 DT C6 . 31254 1 111 . 1 . 1 7 7 DT C7 C 13 14.697 . . 1 . . 724 . X 8 DT C7 . 31254 1 112 . 1 . 1 8 8 DA H1' H 1 6.527 0.002 . 1 . . 41 . X 9 DA H1' . 31254 1 113 . 1 . 1 8 8 DA H2 H 1 8.253 0.002 . 1 . . 61 . X 9 DA H2 . 31254 1 114 . 1 . 1 8 8 DA H2' H 1 3.035 0.001 . 1 . . 44 . X 9 DA H2' . 31254 1 115 . 1 . 1 8 8 DA H2'' H 1 2.865 0.002 . 1 . . 43 . X 9 DA H2'' . 31254 1 116 . 1 . 1 8 8 DA H3' H 1 5.160 0.005 . 1 . . 157 . X 9 DA H3' . 31254 1 117 . 1 . 1 8 8 DA H4' H 1 4.530 0.002 . 1 . . 158 . X 9 DA H4' . 31254 1 118 . 1 . 1 8 8 DA H5' H 1 4.219 0.0 . 2 . . 159 . X 9 DA H5' . 31254 1 119 . 1 . 1 8 8 DA H5'' H 1 4.167 0.001 . 2 . . 160 . X 9 DA H5'' . 31254 1 120 . 1 . 1 8 8 DA H8 H 1 8.446 0.001 . 1 . . 40 . X 9 DA H8 . 31254 1 121 . 1 . 1 8 8 DA C1' C 13 86.562 . . 1 . . 137 . X 9 DA C1' . 31254 1 122 . 1 . 1 8 8 DA C2 C 13 155.524 . . 1 . . 63 . X 9 DA C2 . 31254 1 123 . 1 . 1 8 8 DA C2' C 13 40.939 0.018 . 1 . . 271 . X 9 DA C2' . 31254 1 124 . 1 . 1 8 8 DA C3' C 13 78.824 . . 1 . . 620 . X 9 DA C3' . 31254 1 125 . 1 . 1 8 8 DA C4' C 13 87.801 . . 1 . . 220 . X 9 DA C4' . 31254 1 126 . 1 . 1 8 8 DA C5' C 13 68.129 0.005 . 1 . . 167 . X 9 DA C5' . 31254 1 127 . 1 . 1 8 8 DA C8 C 13 142.685 . . 1 . . 42 . X 9 DA C8 . 31254 1 128 . 1 . 1 9 9 DG H1 H 1 11.889 0.002 . 1 . . 250 . X 10 DG H1 . 31254 1 129 . 1 . 1 9 9 DG H1' H 1 5.981 0.002 . 1 . . 260 . X 10 DG H1' . 31254 1 130 . 1 . 1 9 9 DG H2' H 1 3.458 0.001 . 1 . . 185 . X 10 DG H2' . 31254 1 131 . 1 . 1 9 9 DG H2'' H 1 2.989 . . 1 . . 186 . X 10 DG H2'' . 31254 1 132 . 1 . 1 9 9 DG H3' H 1 5.044 0.001 . 1 . . 243 . X 10 DG H3' . 31254 1 133 . 1 . 1 9 9 DG H4' H 1 4.388 0.001 . 1 . . 221 . X 10 DG H4' . 31254 1 134 . 1 . 1 9 9 DG H5' H 1 4.339 0.003 . 2 . . 662 . X 10 DG H5' . 31254 1 135 . 1 . 1 9 9 DG H5'' H 1 4.163 0.002 . 2 . . 663 . X 10 DG H5'' . 31254 1 136 . 1 . 1 9 9 DG H8 H 1 7.389 0.001 . 1 . . 258 . X 10 DG H8 . 31254 1 137 . 1 . 1 9 9 DG C1' C 13 89.362 . . 1 . . 228 . X 10 DG C1' . 31254 1 138 . 1 . 1 9 9 DG C2' C 13 34.314 0.009 . 1 . . 268 . X 10 DG C2' . 31254 1 139 . 1 . 1 9 9 DG C3' C 13 81.006 . . 1 . . 738 . X 10 DG C3' . 31254 1 140 . 1 . 1 9 9 DG C4' C 13 86.798 . . 1 . . 683 . X 10 DG C4' . 31254 1 141 . 1 . 1 9 9 DG C5' C 13 67.324 0.003 . 1 . . 664 . X 10 DG C5' . 31254 1 142 . 1 . 1 9 9 DG C8 C 13 141.798 . . 1 . . 259 . X 10 DG C8 . 31254 1 143 . 1 . 1 10 10 DG H1 H 1 12.122 0.001 . 1 . . 251 . X 11 DG H1 . 31254 1 144 . 1 . 1 10 10 DG H1' H 1 5.703 0.001 . 1 . . 182 . X 11 DG H1' . 31254 1 145 . 1 . 1 10 10 DG H2' H 1 2.650 0.0 . 1 . . 183 . X 11 DG H2' . 31254 1 146 . 1 . 1 10 10 DG H2'' H 1 2.648 0.001 . 1 . . 184 . X 11 DG H2'' . 31254 1 147 . 1 . 1 10 10 DG H3' H 1 5.091 0.002 . 1 . . 190 . X 11 DG H3' . 31254 1 148 . 1 . 1 10 10 DG H4' H 1 4.389 0.001 . 1 . . 244 . X 11 DG H4' . 31254 1 149 . 1 . 1 10 10 DG H5' H 1 4.310 0.002 . 2 . . 171 . X 11 DG H5' . 31254 1 150 . 1 . 1 10 10 DG H5'' H 1 4.249 0.001 . 2 . . 173 . X 11 DG H5'' . 31254 1 151 . 1 . 1 10 10 DG H8 H 1 8.035 0.001 . 1 . . 132 . X 11 DG H8 . 31254 1 152 . 1 . 1 10 10 DG C1' C 13 83.481 . . 1 . . 233 . X 11 DG C1' . 31254 1 153 . 1 . 1 10 10 DG C2' C 13 41.812 . . 1 . . 725 . X 11 DG C2' . 31254 1 154 . 1 . 1 10 10 DG C3' C 13 76.944 . . 1 . . 622 . X 11 DG C3' . 31254 1 155 . 1 . 1 10 10 DG C4' C 13 86.273 . . 1 . . 686 . X 11 DG C4' . 31254 1 156 . 1 . 1 10 10 DG C5' C 13 66.996 0.007 . 1 . . 172 . X 11 DG C5' . 31254 1 157 . 1 . 1 10 10 DG C8 C 13 138.811 . . 1 . . 133 . X 11 DG C8 . 31254 1 158 . 1 . 1 11 11 DG H1 H 1 11.233 0.001 . 1 . . 249 . X 12 DG H1 . 31254 1 159 . 1 . 1 11 11 DG H1' H 1 6.300 0.001 . 1 . . 46 . X 12 DG H1' . 31254 1 160 . 1 . 1 11 11 DG H2' H 1 2.682 0.001 . 1 . . 48 . X 12 DG H2' . 31254 1 161 . 1 . 1 11 11 DG H2'' H 1 2.557 0.003 . 1 . . 47 . X 12 DG H2'' . 31254 1 162 . 1 . 1 11 11 DG H3' H 1 5.067 0.0 . 1 . . 191 . X 12 DG H3' . 31254 1 163 . 1 . 1 11 11 DG H4' H 1 4.542 0.001 . 1 . . 218 . X 12 DG H4' . 31254 1 164 . 1 . 1 11 11 DG H5' H 1 4.303 0.002 . 2 . . 635 . X 12 DG H5' . 31254 1 165 . 1 . 1 11 11 DG H5'' H 1 4.259 0.001 . 2 . . 637 . X 12 DG H5'' . 31254 1 166 . 1 . 1 11 11 DG H8 H 1 7.935 0.002 . 1 . . 180 . X 12 DG H8 . 31254 1 167 . 1 . 1 11 11 DG C1' C 13 84.400 . . 1 . . 227 . X 12 DG C1' . 31254 1 168 . 1 . 1 11 11 DG C2' C 13 42.166 0.004 . 1 . . 709 . X 12 DG C2' . 31254 1 169 . 1 . 1 11 11 DG C3' C 13 78.316 . . 1 . . 691 . X 12 DG C3' . 31254 1 170 . 1 . 1 11 11 DG C4' C 13 87.693 . . 1 . . 730 . X 12 DG C4' . 31254 1 171 . 1 . 1 11 11 DG C5' C 13 68.145 0.003 . 1 . . 636 . X 12 DG C5' . 31254 1 172 . 1 . 1 11 11 DG C8 C 13 137.188 . . 1 . . 181 . X 12 DG C8 . 31254 1 173 . 1 . 1 12 12 DT H1' H 1 6.271 0.001 . 1 . . 28 . X 13 DT H1' . 31254 1 174 . 1 . 1 12 12 DT H2' H 1 2.414 0.002 . 1 . . 29 . X 13 DT H2' . 31254 1 175 . 1 . 1 12 12 DT H2'' H 1 2.497 0.001 . 1 . . 30 . X 13 DT H2'' . 31254 1 176 . 1 . 1 12 12 DT H3' H 1 4.713 0.003 . 1 . . 179 . X 13 DT H3' . 31254 1 177 . 1 . 1 12 12 DT H4' H 1 4.219 0.001 . 1 . . 248 . X 13 DT H4' . 31254 1 178 . 1 . 1 12 12 DT H5' H 1 4.148 0.002 . 2 . . 646 . X 13 DT H5' . 31254 1 179 . 1 . 1 12 12 DT H5'' H 1 4.079 0.001 . 2 . . 648 . X 13 DT H5'' . 31254 1 180 . 1 . 1 12 12 DT H6 H 1 7.596 0.001 . 1 . . 11 . X 13 DT H6 . 31254 1 181 . 1 . 1 12 12 DT H71 H 1 1.891 0.002 . 1 . . 12 . X 13 DT H71 . 31254 1 182 . 1 . 1 12 12 DT H72 H 1 1.891 0.002 . 1 . . 12 . X 13 DT H72 . 31254 1 183 . 1 . 1 12 12 DT H73 H 1 1.891 0.002 . 1 . . 12 . X 13 DT H73 . 31254 1 184 . 1 . 1 12 12 DT C1' C 13 87.888 . . 1 . . 616 . X 13 DT C1' . 31254 1 185 . 1 . 1 12 12 DT C2' C 13 40.047 0.017 . 1 . . 703 . X 13 DT C2' . 31254 1 186 . 1 . 1 12 12 DT C3' C 13 77.489 . . 1 . . 626 . X 13 DT C3' . 31254 1 187 . 1 . 1 12 12 DT C4' C 13 87.149 . . 1 . . 678 . X 13 DT C4' . 31254 1 188 . 1 . 1 12 12 DT C5' C 13 68.324 0.012 . 1 . . 647 . X 13 DT C5' . 31254 1 189 . 1 . 1 12 12 DT C6 C 13 140.291 . . 1 . . 27 . X 13 DT C6 . 31254 1 190 . 1 . 1 12 12 DT C7 C 13 14.363 . . 1 . . 721 . X 13 DT C7 . 31254 1 191 . 1 . 1 13 13 DT H1' H 1 5.348 0.001 . 1 . . 2 . X 14 DT H1' . 31254 1 192 . 1 . 1 13 13 DT H2' H 1 1.326 0.003 . 1 . . 4 . X 14 DT H2' . 31254 1 193 . 1 . 1 13 13 DT H2'' H 1 2.157 0.001 . 1 . . 3 . X 14 DT H2'' . 31254 1 194 . 1 . 1 13 13 DT H3' H 1 4.503 0.001 . 1 . . 72 . X 14 DT H3' . 31254 1 195 . 1 . 1 13 13 DT H4' H 1 3.960 0.001 . 1 . . 73 . X 14 DT H4' . 31254 1 196 . 1 . 1 13 13 DT H5' H 1 3.868 0.002 . 2 . . 78 . X 14 DT H5' . 31254 1 197 . 1 . 1 13 13 DT H5'' H 1 3.576 0.001 . 2 . . 80 . X 14 DT H5'' . 31254 1 198 . 1 . 1 13 13 DT H6 H 1 6.599 0.001 . 1 . . 1 . X 14 DT H6 . 31254 1 199 . 1 . 1 13 13 DT H71 H 1 1.330 0.002 . 1 . . 5 . X 14 DT H71 . 31254 1 200 . 1 . 1 13 13 DT H72 H 1 1.330 0.002 . 1 . . 5 . X 14 DT H72 . 31254 1 201 . 1 . 1 13 13 DT H73 H 1 1.330 0.002 . 1 . . 5 . X 14 DT H73 . 31254 1 202 . 1 . 1 13 13 DT C1' C 13 87.231 . . 1 . . 74 . X 14 DT C1' . 31254 1 203 . 1 . 1 13 13 DT C2' C 13 41.044 0.012 . 1 . . 701 . X 14 DT C2' . 31254 1 204 . 1 . 1 13 13 DT C3' C 13 79.756 . . 1 . . 75 . X 14 DT C3' . 31254 1 205 . 1 . 1 13 13 DT C4' C 13 86.840 . . 1 . . 76 . X 14 DT C4' . 31254 1 206 . 1 . 1 13 13 DT C5' C 13 68.085 0.008 . 1 . . 79 . X 14 DT C5' . 31254 1 207 . 1 . 1 13 13 DT C6 C 13 137.186 . . 1 . . 6 . X 14 DT C6 . 31254 1 208 . 1 . 1 13 13 DT C7 C 13 14.128 . . 1 . . 719 . X 14 DT C7 . 31254 1 209 . 1 . 1 14 14 DA H1' H 1 6.274 0.001 . 1 . . 122 . X 15 DA H1' . 31254 1 210 . 1 . 1 14 14 DA H2 H 1 7.350 0.001 . 1 . . 70 . X 15 DA H2 . 31254 1 211 . 1 . 1 14 14 DA H2' H 1 2.218 0.001 . 1 . . 246 . X 15 DA H2' . 31254 1 212 . 1 . 1 14 14 DA H2'' H 1 2.472 0.002 . 1 . . 245 . X 15 DA H2'' . 31254 1 213 . 1 . 1 14 14 DA H3' H 1 4.654 0.002 . 1 . . 247 . X 15 DA H3' . 31254 1 214 . 1 . 1 14 14 DA H4' H 1 4.142 0.002 . 1 . . 156 . X 15 DA H4' . 31254 1 215 . 1 . 1 14 14 DA H5' H 1 3.472 0.003 . 2 . . 153 . X 15 DA H5' . 31254 1 216 . 1 . 1 14 14 DA H5'' H 1 2.741 0.003 . 2 . . 155 . X 15 DA H5'' . 31254 1 217 . 1 . 1 14 14 DA H8 H 1 7.743 0.001 . 1 . . 49 . X 15 DA H8 . 31254 1 218 . 1 . 1 14 14 DA C1' C 13 87.239 . . 1 . . 734 . X 15 DA C1' . 31254 1 219 . 1 . 1 14 14 DA C2 C 13 154.143 . . 1 . . 71 . X 15 DA C2 . 31254 1 220 . 1 . 1 14 14 DA C2' C 13 43.438 . . 1 . . 737 . X 15 DA C2' . 31254 1 221 . 1 . 1 14 14 DA C3' C 13 80.245 . . 1 . . 736 . X 15 DA C3' . 31254 1 222 . 1 . 1 14 14 DA C4' C 13 87.982 . . 1 . . 735 . X 15 DA C4' . 31254 1 223 . 1 . 1 14 14 DA C5' C 13 67.666 . . 1 . . 154 . X 15 DA C5' . 31254 1 224 . 1 . 1 14 14 DA C8 C 13 142.573 . . 1 . . 50 . X 15 DA C8 . 31254 1 225 . 1 . 1 15 15 DG H1 H 1 11.320 0.001 . 1 . . 257 . X 16 DG H1 . 31254 1 226 . 1 . 1 15 15 DG H1' H 1 6.108 0.001 . 1 . . 261 . X 16 DG H1' . 31254 1 227 . 1 . 1 15 15 DG H2' H 1 3.489 0.002 . 1 . . 265 . X 16 DG H2' . 31254 1 228 . 1 . 1 15 15 DG H2'' H 1 2.985 0.003 . 1 . . 266 . X 16 DG H2'' . 31254 1 229 . 1 . 1 15 15 DG H3' H 1 4.864 0.002 . 1 . . 267 . X 16 DG H3' . 31254 1 230 . 1 . 1 15 15 DG H4' H 1 4.460 0.0 . 1 . . 660 . X 16 DG H4' . 31254 1 231 . 1 . 1 15 15 DG H5' H 1 4.265 . . 2 . . 629 . X 16 DG H5' . 31254 1 232 . 1 . 1 15 15 DG H5'' H 1 4.224 . . 2 . . 630 . X 16 DG H5'' . 31254 1 233 . 1 . 1 15 15 DG H8 H 1 7.387 0.002 . 1 . . 262 . X 16 DG H8 . 31254 1 234 . 1 . 1 15 15 DG C1' C 13 88.417 . . 1 . . 618 . X 16 DG C1' . 31254 1 235 . 1 . 1 15 15 DG C2' C 13 36.477 0.009 . 1 . . 270 . X 16 DG C2' . 31254 1 236 . 1 . 1 15 15 DG C4' C 13 89.028 . . 1 . . 671 . X 16 DG C4' . 31254 1 237 . 1 . 1 15 15 DG C5' C 13 70.377 0.006 . 1 . . 631 . X 16 DG C5' . 31254 1 238 . 1 . 1 15 15 DG C8 C 13 141.832 . . 1 . . 263 . X 16 DG C8 . 31254 1 239 . 1 . 1 16 16 DG H1 H 1 11.130 0.003 . 1 . . 264 . X 17 DG H1 . 31254 1 240 . 1 . 1 16 16 DG H1' H 1 5.788 0.002 . 1 . . 99 . X 17 DG H1' . 31254 1 241 . 1 . 1 16 16 DG H2' H 1 2.529 0.002 . 1 . . 716 . X 17 DG H2' . 31254 1 242 . 1 . 1 16 16 DG H2'' H 1 2.554 0.002 . 1 . . 717 . X 17 DG H2'' . 31254 1 243 . 1 . 1 16 16 DG H3' H 1 4.998 0.001 . 1 . . 193 . X 17 DG H3' . 31254 1 244 . 1 . 1 16 16 DG H4' H 1 4.266 0.003 . 1 . . 661 . X 17 DG H4' . 31254 1 245 . 1 . 1 16 16 DG H5' H 1 4.351 0.003 . 2 . . 632 . X 17 DG H5' . 31254 1 246 . 1 . 1 16 16 DG H5'' H 1 4.272 0.003 . 2 . . 634 . X 17 DG H5'' . 31254 1 247 . 1 . 1 16 16 DG H8 H 1 7.337 0.002 . 1 . . 98 . X 17 DG H8 . 31254 1 248 . 1 . 1 16 16 DG C1' C 13 88.564 . . 1 . . 235 . X 17 DG C1' . 31254 1 249 . 1 . 1 16 16 DG C2' C 13 38.151 0.005 . 1 . . 715 . X 17 DG C2' . 31254 1 250 . 1 . 1 16 16 DG C3' C 13 78.090 . . 1 . . 689 . X 17 DG C3' . 31254 1 251 . 1 . 1 16 16 DG C4' C 13 86.698 . . 1 . . 677 . X 17 DG C4' . 31254 1 252 . 1 . 1 16 16 DG C5' C 13 67.290 0.006 . 1 . . 633 . X 17 DG C5' . 31254 1 253 . 1 . 1 16 16 DG C8 C 13 140.538 . . 1 . . 100 . X 17 DG C8 . 31254 1 254 . 1 . 1 17 17 DG H1 H 1 11.671 0.002 . 1 . . 152 . X 18 DG H1 . 31254 1 255 . 1 . 1 17 17 DG H1' H 1 5.935 0.001 . 1 . . 194 . X 18 DG H1' . 31254 1 256 . 1 . 1 17 17 DG H2' H 1 2.629 0.004 . 1 . . 705 . X 18 DG H2' . 31254 1 257 . 1 . 1 17 17 DG H2'' H 1 2.624 0.002 . 1 . . 707 . X 18 DG H2'' . 31254 1 258 . 1 . 1 17 17 DG H3' H 1 5.184 0.002 . 1 . . 195 . X 18 DG H3' . 31254 1 259 . 1 . 1 17 17 DG H4' H 1 4.401 0.001 . 1 . . 239 . X 18 DG H4' . 31254 1 260 . 1 . 1 17 17 DG H5' H 1 4.215 0.002 . 2 . . 657 . X 18 DG H5' . 31254 1 261 . 1 . 1 17 17 DG H5'' H 1 4.195 0.001 . 2 . . 659 . X 18 DG H5'' . 31254 1 262 . 1 . 1 17 17 DG H8 H 1 7.486 0.001 . 1 . . 59 . X 18 DG H8 . 31254 1 263 . 1 . 1 17 17 DG C1' C 13 83.747 . . 1 . . 230 . X 18 DG C1' . 31254 1 264 . 1 . 1 17 17 DG C2' C 13 41.563 . . 1 . . 706 . X 18 DG C2' . 31254 1 265 . 1 . 1 17 17 DG C3' C 13 78.701 . . 1 . . 619 . X 18 DG C3' . 31254 1 266 . 1 . 1 17 17 DG C4' C 13 87.378 . . 1 . . 680 . X 18 DG C4' . 31254 1 267 . 1 . 1 17 17 DG C5' C 13 67.426 . . 1 . . 658 . X 18 DG C5' . 31254 1 268 . 1 . 1 17 17 DG C8 C 13 137.422 . . 1 . . 60 . X 18 DG C8 . 31254 1 269 . 1 . 1 18 18 DT H1' H 1 6.368 0.001 . 1 . . 187 . X 19 DT H1' . 31254 1 270 . 1 . 1 18 18 DT H2' H 1 2.382 0.003 . 1 . . 188 . X 19 DT H2' . 31254 1 271 . 1 . 1 18 18 DT H2'' H 1 2.525 0.001 . 1 . . 189 . X 19 DT H2'' . 31254 1 272 . 1 . 1 18 18 DT H3' H 1 4.967 0.001 . 1 . . 192 . X 19 DT H3' . 31254 1 273 . 1 . 1 18 18 DT H4' H 1 4.471 0.003 . 1 . . 213 . X 19 DT H4' . 31254 1 274 . 1 . 1 18 18 DT H5' H 1 4.341 0.003 . 2 . . 638 . X 19 DT H5' . 31254 1 275 . 1 . 1 18 18 DT H5'' H 1 4.195 0.003 . 2 . . 640 . X 19 DT H5'' . 31254 1 276 . 1 . 1 18 18 DT H6 H 1 7.933 0.001 . 1 . . 7 . X 19 DT H6 . 31254 1 277 . 1 . 1 18 18 DT H71 H 1 2.050 0.002 . 1 . . 8 . X 19 DT H71 . 31254 1 278 . 1 . 1 18 18 DT H72 H 1 2.050 0.002 . 1 . . 8 . X 19 DT H72 . 31254 1 279 . 1 . 1 18 18 DT H73 H 1 2.050 0.002 . 1 . . 8 . X 19 DT H73 . 31254 1 280 . 1 . 1 18 18 DT C1' C 13 88.436 . . 1 . . 226 . X 19 DT C1' . 31254 1 281 . 1 . 1 18 18 DT C2' C 13 41.813 . . 1 . . 711 . X 19 DT C2' . 31254 1 282 . 1 . 1 18 18 DT C3' C 13 79.652 . . 1 . . 692 . X 19 DT C3' . 31254 1 283 . 1 . 1 18 18 DT C4' C 13 87.671 . . 1 . . 219 . X 19 DT C4' . 31254 1 284 . 1 . 1 18 18 DT C5' C 13 68.207 0.012 . 1 . . 639 . X 19 DT C5' . 31254 1 285 . 1 . 1 18 18 DT C6 C 13 139.988 . . 1 . . 45 . X 19 DT C6 . 31254 1 286 . 1 . 1 18 18 DT C7 C 13 14.533 . . 1 . . 720 . X 19 DT C7 . 31254 1 287 . 1 . 1 19 19 DT H1' H 1 5.810 0.001 . 1 . . 31 . X 20 DT H1' . 31254 1 288 . 1 . 1 19 19 DT H2' H 1 1.202 0.002 . 1 . . 33 . X 20 DT H2' . 31254 1 289 . 1 . 1 19 19 DT H2'' H 1 1.964 0.001 . 1 . . 32 . X 20 DT H2'' . 31254 1 290 . 1 . 1 19 19 DT H3' H 1 4.738 0.002 . 1 . . 212 . X 20 DT H3' . 31254 1 291 . 1 . 1 19 19 DT H4' H 1 4.206 0.001 . 1 . . 211 . X 20 DT H4' . 31254 1 292 . 1 . 1 19 19 DT H5' H 1 3.961 0.001 . 2 . . 209 . X 20 DT H5' . 31254 1 293 . 1 . 1 19 19 DT H5'' H 1 3.997 0.002 . 2 . . 210 . X 20 DT H5'' . 31254 1 294 . 1 . 1 19 19 DT H6 H 1 7.314 0.001 . 1 . . 15 . X 20 DT H6 . 31254 1 295 . 1 . 1 19 19 DT H71 H 1 1.635 0.001 . 1 . . 16 . X 20 DT H71 . 31254 1 296 . 1 . 1 19 19 DT H72 H 1 1.635 0.001 . 1 . . 16 . X 20 DT H72 . 31254 1 297 . 1 . 1 19 19 DT H73 H 1 1.635 0.001 . 1 . . 16 . X 20 DT H73 . 31254 1 298 . 1 . 1 19 19 DT C1' C 13 87.455 . . 1 . . 232 . X 20 DT C1' . 31254 1 299 . 1 . 1 19 19 DT C2' C 13 40.554 0.006 . 1 . . 702 . X 20 DT C2' . 31254 1 300 . 1 . 1 19 19 DT C3' C 13 80.387 . . 1 . . 628 . X 20 DT C3' . 31254 1 301 . 1 . 1 19 19 DT C4' C 13 87.664 . . 1 . . 225 . X 20 DT C4' . 31254 1 302 . 1 . 1 19 19 DT C5' C 13 68.045 0.003 . 1 . . 649 . X 20 DT C5' . 31254 1 303 . 1 . 1 19 19 DT C6 C 13 138.063 . . 1 . . 34 . X 20 DT C6 . 31254 1 304 . 1 . 1 19 19 DT C7 C 13 14.345 . . 1 . . 722 . X 20 DT C7 . 31254 1 305 . 1 . 1 20 20 DA H1' H 1 6.247 0.002 . 1 . . 146 . X 21 DA H1' . 31254 1 306 . 1 . 1 20 20 DA H2 H 1 8.315 . . 1 . . 64 . X 21 DA H2 . 31254 1 307 . 1 . 1 20 20 DA H2' H 1 2.885 0.001 . 1 . . 148 . X 21 DA H2' . 31254 1 308 . 1 . 1 20 20 DA H2'' H 1 2.795 0.001 . 1 . . 147 . X 21 DA H2'' . 31254 1 309 . 1 . 1 20 20 DA H3' H 1 5.052 0.001 . 1 . . 214 . X 21 DA H3' . 31254 1 310 . 1 . 1 20 20 DA H4' H 1 4.430 0.002 . 1 . . 238 . X 21 DA H4' . 31254 1 311 . 1 . 1 20 20 DA H5' H 1 4.045 0.002 . 2 . . 240 . X 21 DA H5' . 31254 1 312 . 1 . 1 20 20 DA H5'' H 1 3.869 0.002 . 2 . . 241 . X 21 DA H5'' . 31254 1 313 . 1 . 1 20 20 DA H8 H 1 8.160 0.001 . 1 . . 39 . X 21 DA H8 . 31254 1 314 . 1 . 1 20 20 DA C1' C 13 85.146 . . 1 . . 615 . X 21 DA C1' . 31254 1 315 . 1 . 1 20 20 DA C2 C 13 156.645 . . 1 . . 65 . X 21 DA C2 . 31254 1 316 . 1 . 1 20 20 DA C2' C 13 43.438 . . 1 . . 697 . X 21 DA C2' . 31254 1 317 . 1 . 1 20 20 DA C3' C 13 78.801 . . 1 . . 696 . X 21 DA C3' . 31254 1 318 . 1 . 1 20 20 DA C4' C 13 87.411 . . 1 . . 674 . X 21 DA C4' . 31254 1 319 . 1 . 1 20 20 DA C5' C 13 68.249 . . 1 . . 242 . X 21 DA C5' . 31254 1 320 . 1 . 1 20 20 DA C8 C 13 140.966 . . 1 . . 51 . X 21 DA C8 . 31254 1 321 . 1 . 1 21 21 DG H1 H 1 11.426 0.001 . 1 . . 256 . X 22 DG H1 . 31254 1 322 . 1 . 1 21 21 DG H1' H 1 5.908 0.002 . 1 . . 93 . X 22 DG H1' . 31254 1 323 . 1 . 1 21 21 DG H2' H 1 3.396 0.002 . 1 . . 102 . X 22 DG H2' . 31254 1 324 . 1 . 1 21 21 DG H2'' H 1 2.926 0.003 . 1 . . 101 . X 22 DG H2'' . 31254 1 325 . 1 . 1 21 21 DG H3' H 1 4.990 0.001 . 1 . . 140 . X 22 DG H3' . 31254 1 326 . 1 . 1 21 21 DG H4' H 1 4.442 0.002 . 1 . . 163 . X 22 DG H4' . 31254 1 327 . 1 . 1 21 21 DG H5' H 1 4.415 0.002 . 2 . . 215 . X 22 DG H5' . 31254 1 328 . 1 . 1 21 21 DG H5'' H 1 4.414 0.002 . 2 . . 216 . X 22 DG H5'' . 31254 1 329 . 1 . 1 21 21 DG H8 H 1 7.066 0.001 . 1 . . 92 . X 22 DG H8 . 31254 1 330 . 1 . 1 21 21 DG C1' C 13 89.291 . . 1 . . 234 . X 22 DG C1' . 31254 1 331 . 1 . 1 21 21 DG C2' C 13 35.594 0.012 . 1 . . 272 . X 22 DG C2' . 31254 1 332 . 1 . 1 21 21 DG C3' C 13 80.694 . . 1 . . 690 . X 22 DG C3' . 31254 1 333 . 1 . 1 21 21 DG C4' C 13 87.934 . . 1 . . 164 . X 22 DG C4' . 31254 1 334 . 1 . 1 21 21 DG C5' C 13 68.768 0.004 . 1 . . 217 . X 22 DG C5' . 31254 1 335 . 1 . 1 21 21 DG C8 C 13 141.397 . . 1 . . 94 . X 22 DG C8 . 31254 1 336 . 1 . 1 22 22 DG H1 H 1 11.469 0.001 . 1 . . 253 . X 23 DG H1 . 31254 1 337 . 1 . 1 22 22 DG H1' H 1 5.779 0.001 . 1 . . 117 . X 23 DG H1' . 31254 1 338 . 1 . 1 22 22 DG H2' H 1 2.603 0.001 . 1 . . 119 . X 23 DG H2' . 31254 1 339 . 1 . 1 22 22 DG H2'' H 1 2.702 0.001 . 1 . . 118 . X 23 DG H2'' . 31254 1 340 . 1 . 1 22 22 DG H3' H 1 5.053 0.002 . 1 . . 139 . X 23 DG H3' . 31254 1 341 . 1 . 1 22 22 DG H4' H 1 4.423 0.002 . 1 . . 144 . X 23 DG H4' . 31254 1 342 . 1 . 1 22 22 DG H5' H 1 4.243 0.002 . 2 . . 141 . X 23 DG H5' . 31254 1 343 . 1 . 1 22 22 DG H5'' H 1 4.279 0.003 . 2 . . 143 . X 23 DG H5'' . 31254 1 344 . 1 . 1 22 22 DG H8 H 1 7.988 0.001 . 1 . . 115 . X 23 DG H8 . 31254 1 345 . 1 . 1 22 22 DG C1' C 13 83.433 . . 1 . . 237 . X 23 DG C1' . 31254 1 346 . 1 . 1 22 22 DG C2' C 13 41.954 0.009 . 1 . . 704 . X 23 DG C2' . 31254 1 347 . 1 . 1 22 22 DG C3' C 13 78.284 . . 1 . . 695 . X 23 DG C3' . 31254 1 348 . 1 . 1 22 22 DG C4' C 13 86.831 . . 1 . . 165 . X 23 DG C4' . 31254 1 349 . 1 . 1 22 22 DG C5' C 13 67.543 0.01 . 1 . . 142 . X 23 DG C5' . 31254 1 350 . 1 . 1 22 22 DG C8 C 13 137.862 . . 1 . . 116 . X 23 DG C8 . 31254 1 351 . 1 . 1 23 23 DG H1 H 1 10.620 0.002 . 1 . . 255 . X 24 DG H1 . 31254 1 352 . 1 . 1 23 23 DG H1' H 1 5.874 0.002 . 1 . . 128 . X 24 DG H1' . 31254 1 353 . 1 . 1 23 23 DG H2' H 1 2.167 0.003 . 1 . . 130 . X 24 DG H2' . 31254 1 354 . 1 . 1 23 23 DG H2'' H 1 2.549 0.001 . 1 . . 129 . X 24 DG H2'' . 31254 1 355 . 1 . 1 23 23 DG H3' H 1 4.932 0.002 . 1 . . 131 . X 24 DG H3' . 31254 1 356 . 1 . 1 23 23 DG H4' H 1 4.415 0.002 . 1 . . 162 . X 24 DG H4' . 31254 1 357 . 1 . 1 23 23 DG H5' H 1 4.251 0.001 . 2 . . 643 . X 24 DG H5' . 31254 1 358 . 1 . 1 23 23 DG H5'' H 1 4.231 0.0 . 2 . . 645 . X 24 DG H5'' . 31254 1 359 . 1 . 1 23 23 DG H8 H 1 7.387 0.001 . 1 . . 120 . X 24 DG H8 . 31254 1 360 . 1 . 1 23 23 DG C1' C 13 84.927 . . 1 . . 231 . X 24 DG C1' . 31254 1 361 . 1 . 1 23 23 DG C2' C 13 41.941 0.005 . 1 . . 712 . X 24 DG C2' . 31254 1 362 . 1 . 1 23 23 DG C3' C 13 78.811 . . 1 . . 688 . X 24 DG C3' . 31254 1 363 . 1 . 1 23 23 DG C4' C 13 87.032 . . 1 . . 166 . X 24 DG C4' . 31254 1 364 . 1 . 1 23 23 DG C5' C 13 68.738 0.003 . 1 . . 644 . X 24 DG C5' . 31254 1 365 . 1 . 1 23 23 DG C8 C 13 136.629 . . 1 . . 121 . X 24 DG C8 . 31254 1 366 . 1 . 1 24 24 DA H1' H 1 6.132 0.002 . 1 . . 123 . X 25 DA H1' . 31254 1 367 . 1 . 1 24 24 DA H2 H 1 7.529 0.001 . 1 . . 68 . X 25 DA H2 . 31254 1 368 . 1 . 1 24 24 DA H2' H 1 2.696 0.002 . 1 . . 126 . X 25 DA H2' . 31254 1 369 . 1 . 1 24 24 DA H2'' H 1 2.429 0.001 . 1 . . 127 . X 25 DA H2'' . 31254 1 370 . 1 . 1 24 24 DA H3' H 1 4.707 0.002 . 1 . . 57 . X 25 DA H3' . 31254 1 371 . 1 . 1 24 24 DA H4' H 1 4.221 0.001 . 1 . . 653 . X 25 DA H4' . 31254 1 372 . 1 . 1 24 24 DA H5' H 1 4.160 0.003 . 2 . . 650 . X 25 DA H5' . 31254 1 373 . 1 . 1 24 24 DA H5'' H 1 4.160 0.003 . 2 . . 651 . X 25 DA H5'' . 31254 1 374 . 1 . 1 24 24 DA H8 H 1 7.890 0.001 . 1 . . 124 . X 25 DA H8 . 31254 1 375 . 1 . 1 24 24 DA C1' C 13 85.312 . . 1 . . 138 . X 25 DA C1' . 31254 1 376 . 1 . 1 24 24 DA C2 C 13 154.247 . . 1 . . 69 . X 25 DA C2 . 31254 1 377 . 1 . 1 24 24 DA C2' C 13 41.753 0.006 . 1 . . 708 . X 25 DA C2' . 31254 1 378 . 1 . 1 24 24 DA C3' C 13 72.963 . . 1 . . 58 . X 25 DA C3' . 31254 1 379 . 1 . 1 24 24 DA C4' C 13 87.852 . . 1 . . 679 . X 25 DA C4' . 31254 1 380 . 1 . 1 24 24 DA C5' C 13 67.555 . . 1 . . 652 . X 25 DA C5' . 31254 1 381 . 1 . 1 24 24 DA C8 C 13 141.056 . . 1 . . 125 . X 25 DA C8 . 31254 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 31254 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 2 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2 _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' . . . 31254 2 2 '2D 1H-13C HSQC' . . . 31254 2 3 '2D DQF-COSY' . . . 31254 2 4 '2D 1H-13C HMBC' . . . 31254 2 5 '2D 1H-1H NOESY' . . . 31254 2 6 '2D 1H-13C HSQC' . . . 31254 2 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 DT H1' H 1 5.676 0.002 . 1 . . 278 . X 2 DT H1' . 31254 2 2 . 1 . 1 1 1 DT H2' H 1 1.913 0.001 . 1 . . 280 . X 2 DT H2' . 31254 2 3 . 1 . 1 1 1 DT H2'' H 1 2.298 0.003 . 1 . . 279 . X 2 DT H2'' . 31254 2 4 . 1 . 1 1 1 DT H3' H 1 4.555 0.001 . 1 . . 431 . X 2 DT H3' . 31254 2 5 . 1 . 1 1 1 DT H4' H 1 4.090 0.001 . 1 . . 484 . X 2 DT H4' . 31254 2 6 . 1 . 1 1 1 DT H5' H 1 3.653 0.001 . 2 . . 276 . X 2 DT H5' . 31254 2 7 . 1 . 1 1 1 DT H5'' H 1 3.568 0.002 . 2 . . 277 . X 2 DT H5'' . 31254 2 8 . 1 . 1 1 1 DT H6 H 1 7.254 0.001 . 1 . . 274 . X 2 DT H6 . 31254 2 9 . 1 . 1 1 1 DT H71 H 1 1.388 0.001 . 1 . . 275 . X 2 DT H71 . 31254 2 10 . 1 . 1 1 1 DT H72 H 1 1.388 0.001 . 1 . . 275 . X 2 DT H72 . 31254 2 11 . 1 . 1 1 1 DT H73 H 1 1.388 0.001 . 1 . . 275 . X 2 DT H73 . 31254 2 12 . 1 . 1 1 1 DT C1' C 13 89.401 . . 1 . . 453 . X 2 DT C1' . 31254 2 13 . 1 . 1 1 1 DT C2' C 13 41.346 0.006 . 1 . . 603 . X 2 DT C2' . 31254 2 14 . 1 . 1 1 1 DT C3' C 13 78.968 . . 1 . . 473 . X 2 DT C3' . 31254 2 15 . 1 . 1 1 1 DT C4' C 13 89.083 . . 1 . . 576 . X 2 DT C4' . 31254 2 16 . 1 . 1 1 1 DT C5' C 13 64.040 . . 1 . . 529 . X 2 DT C5' . 31254 2 17 . 1 . 1 1 1 DT C6 C 13 139.293 . . 1 . . 281 . X 2 DT C6 . 31254 2 18 . 1 . 1 2 2 DA H1' H 1 6.269 0.002 . 1 . . 284 . X 3 DA H1' . 31254 2 19 . 1 . 1 2 2 DA H2 H 1 7.846 0.002 . 1 . . 408 . X 3 DA H2 . 31254 2 20 . 1 . 1 2 2 DA H2' H 1 2.267 0.001 . 1 . . 286 . X 3 DA H2' . 31254 2 21 . 1 . 1 2 2 DA H2'' H 1 2.593 0.002 . 1 . . 285 . X 3 DA H2'' . 31254 2 22 . 1 . 1 2 2 DA H3' H 1 4.790 0.001 . 1 . . 430 . X 3 DA H3' . 31254 2 23 . 1 . 1 2 2 DA H4' H 1 4.092 0.002 . 1 . . 533 . X 3 DA H4' . 31254 2 24 . 1 . 1 2 2 DA H5' H 1 3.630 0.005 . 2 . . 534 . X 3 DA H5' . 31254 2 25 . 1 . 1 2 2 DA H5'' H 1 2.960 0.002 . 2 . . 535 . X 3 DA H5'' . 31254 2 26 . 1 . 1 2 2 DA H8 H 1 8.121 0.001 . 1 . . 282 . X 3 DA H8 . 31254 2 27 . 1 . 1 2 2 DA C1' C 13 86.946 . . 1 . . 468 . X 3 DA C1' . 31254 2 28 . 1 . 1 2 2 DA C2 C 13 154.561 . . 1 . . 409 . X 3 DA C2 . 31254 2 29 . 1 . 1 2 2 DA C2' C 13 42.946 0.028 . 1 . . 607 . X 3 DA C2' . 31254 2 30 . 1 . 1 2 2 DA C3' C 13 79.511 . . 1 . . 477 . X 3 DA C3' . 31254 2 31 . 1 . 1 2 2 DA C4' C 13 87.016 . . 1 . . 577 . X 3 DA C4' . 31254 2 32 . 1 . 1 2 2 DA C5' C 13 67.412 . . 1 . . 536 . X 3 DA C5' . 31254 2 33 . 1 . 1 2 2 DA C8 C 13 141.604 . . 1 . . 283 . X 3 DA C8 . 31254 2 34 . 1 . 1 3 3 DG H1 H 1 11.827 0.001 . 1 . . 415 . X 4 DG H1 . 31254 2 35 . 1 . 1 3 3 DG H1' H 1 5.981 0.003 . 1 . . 288 . X 4 DG H1' . 31254 2 36 . 1 . 1 3 3 DG H2' H 1 3.398 0.003 . 1 . . 291 . X 4 DG H2' . 31254 2 37 . 1 . 1 3 3 DG H2'' H 1 2.951 0.002 . 1 . . 290 . X 4 DG H2'' . 31254 2 38 . 1 . 1 3 3 DG H3' H 1 4.838 0.001 . 1 . . 429 . X 4 DG H3' . 31254 2 39 . 1 . 1 3 3 DG H4' H 1 4.435 0.001 . 1 . . 537 . X 4 DG H4' . 31254 2 40 . 1 . 1 3 3 DG H5' H 1 4.283 0.001 . 2 . . 557 . X 4 DG H5' . 31254 2 41 . 1 . 1 3 3 DG H5'' H 1 4.225 0.002 . 2 . . 558 . X 4 DG H5'' . 31254 2 42 . 1 . 1 3 3 DG H8 H 1 7.288 0.002 . 1 . . 287 . X 4 DG H8 . 31254 2 43 . 1 . 1 3 3 DG C1' C 13 89.363 . . 1 . . 455 . X 4 DG C1' . 31254 2 44 . 1 . 1 3 3 DG C2' C 13 35.565 . . 1 . . 595 . X 4 DG C2' . 31254 2 45 . 1 . 1 3 3 DG C4' C 13 88.155 . . 1 . . 592 . X 4 DG C4' . 31254 2 46 . 1 . 1 3 3 DG C5' C 13 69.594 . . 1 . . 559 . X 4 DG C5' . 31254 2 47 . 1 . 1 3 3 DG C8 C 13 141.607 . . 1 . . 289 . X 4 DG C8 . 31254 2 48 . 1 . 1 4 4 DG H1 H 1 11.681 0.002 . 1 . . 413 . X 5 DG H1 . 31254 2 49 . 1 . 1 4 4 DG H1' H 1 5.771 0.003 . 1 . . 294 . X 5 DG H1' . 31254 2 50 . 1 . 1 4 4 DG H2' H 1 2.592 0.003 . 1 . . 296 . X 5 DG H2' . 31254 2 51 . 1 . 1 4 4 DG H2'' H 1 2.627 0.002 . 1 . . 295 . X 5 DG H2'' . 31254 2 52 . 1 . 1 4 4 DG H3' H 1 5.035 0.002 . 1 . . 428 . X 5 DG H3' . 31254 2 53 . 1 . 1 4 4 DG H4' H 1 4.341 0.002 . 1 . . 496 . X 5 DG H4' . 31254 2 54 . 1 . 1 4 4 DG H5' H 1 4.241 0.002 . 2 . . 543 . X 5 DG H5' . 31254 2 55 . 1 . 1 4 4 DG H5'' H 1 4.319 0.005 . 2 . . 544 . X 5 DG H5'' . 31254 2 56 . 1 . 1 4 4 DG H8 H 1 8.005 0.001 . 1 . . 292 . X 5 DG H8 . 31254 2 57 . 1 . 1 4 4 DG C1' C 13 83.371 . . 1 . . 460 . X 5 DG C1' . 31254 2 58 . 1 . 1 4 4 DG C2' C 13 42.152 0.012 . 1 . . 613 . X 5 DG C2' . 31254 2 59 . 1 . 1 4 4 DG C3' C 13 77.304 . . 1 . . 479 . X 5 DG C3' . 31254 2 60 . 1 . 1 4 4 DG C4' C 13 86.340 . . 1 . . 584 . X 5 DG C4' . 31254 2 61 . 1 . 1 4 4 DG C5' C 13 67.260 0.01 . 1 . . 545 . X 5 DG C5' . 31254 2 62 . 1 . 1 4 4 DG C8 C 13 138.825 . . 1 . . 293 . X 5 DG C8 . 31254 2 63 . 1 . 1 5 5 DG H1 H 1 10.991 0.002 . 1 . . 414 . X 6 DG H1 . 31254 2 64 . 1 . 1 5 5 DG H1' H 1 6.401 0.001 . 1 . . 299 . X 6 DG H1' . 31254 2 65 . 1 . 1 5 5 DG H2' H 1 2.622 0.001 . 1 . . 301 . X 6 DG H2' . 31254 2 66 . 1 . 1 5 5 DG H2'' H 1 2.596 0.001 . 1 . . 300 . X 6 DG H2'' . 31254 2 67 . 1 . 1 5 5 DG H3' H 1 5.046 0.001 . 1 . . 427 . X 6 DG H3' . 31254 2 68 . 1 . 1 5 5 DG H4' H 1 4.407 0.002 . 1 . . 495 . X 6 DG H4' . 31254 2 69 . 1 . 1 5 5 DG H5' H 1 4.122 0.002 . 2 . . 497 . X 6 DG H5' . 31254 2 70 . 1 . 1 5 5 DG H5'' H 1 4.177 0.002 . 2 . . 498 . X 6 DG H5'' . 31254 2 71 . 1 . 1 5 5 DG H8 H 1 7.827 0.001 . 1 . . 297 . X 6 DG H8 . 31254 2 72 . 1 . 1 5 5 DG C1' C 13 85.279 . . 1 . . 448 . X 6 DG C1' . 31254 2 73 . 1 . 1 5 5 DG C2' C 13 43.470 0.003 . 1 . . 729 . X 6 DG C2' . 31254 2 74 . 1 . 1 5 5 DG C3' C 13 79.515 . . 1 . . 624 . X 6 DG C3' . 31254 2 75 . 1 . 1 5 5 DG C4' C 13 87.287 . . 1 . . 684 . X 6 DG C4' . 31254 2 76 . 1 . 1 5 5 DG C5' C 13 68.776 0.003 . 1 . . 499 . X 6 DG C5' . 31254 2 77 . 1 . 1 5 5 DG C8 C 13 137.331 . . 1 . . 298 . X 6 DG C8 . 31254 2 78 . 1 . 1 6 6 DT H1' H 1 6.425 0.001 . 1 . . 303 . X 7 DT H1' . 31254 2 79 . 1 . 1 6 6 DT H2' H 1 2.472 0.002 . 1 . . 306 . X 7 DT H2' . 31254 2 80 . 1 . 1 6 6 DT H2'' H 1 2.568 0.002 . 1 . . 305 . X 7 DT H2'' . 31254 2 81 . 1 . 1 6 6 DT H3' H 1 4.880 0.0 . 1 . . 426 . X 7 DT H3' . 31254 2 82 . 1 . 1 6 6 DT H4' H 1 4.383 0.002 . 1 . . 521 . X 7 DT H4' . 31254 2 83 . 1 . 1 6 6 DT H5' H 1 4.080 0.002 . 2 . . 522 . X 7 DT H5' . 31254 2 84 . 1 . 1 6 6 DT H5'' H 1 4.191 0.0 . 2 . . 523 . X 7 DT H5'' . 31254 2 85 . 1 . 1 6 6 DT H6 H 1 7.771 0.001 . 1 . . 302 . X 7 DT H6 . 31254 2 86 . 1 . 1 6 6 DT H71 H 1 2.009 0.002 . 1 . . 307 . X 7 DT H71 . 31254 2 87 . 1 . 1 6 6 DT H72 H 1 2.009 0.002 . 1 . . 307 . X 7 DT H72 . 31254 2 88 . 1 . 1 6 6 DT H73 H 1 2.009 0.002 . 1 . . 307 . X 7 DT H73 . 31254 2 89 . 1 . 1 6 6 DT C1' C 13 87.791 . . 1 . . 447 . X 7 DT C1' . 31254 2 90 . 1 . 1 6 6 DT C2' C 13 40.728 0.011 . 1 . . 600 . X 7 DT C2' . 31254 2 91 . 1 . 1 6 6 DT C4' C 13 87.011 . . 1 . . 585 . X 7 DT C4' . 31254 2 92 . 1 . 1 6 6 DT C5' C 13 68.598 0.007 . 1 . . 524 . X 7 DT C5' . 31254 2 93 . 1 . 1 6 6 DT C6 C 13 139.942 . . 1 . . 304 . X 7 DT C6 . 31254 2 94 . 1 . 1 7 7 DT H1' H 1 6.227 0.001 . 1 . . 309 . X 8 DT H1' . 31254 2 95 . 1 . 1 7 7 DT H2' H 1 2.118 0.003 . 1 . . 312 . X 8 DT H2' . 31254 2 96 . 1 . 1 7 7 DT H2'' H 1 2.436 0.002 . 1 . . 311 . X 8 DT H2'' . 31254 2 97 . 1 . 1 7 7 DT H3' H 1 4.881 0.001 . 1 . . 425 . X 8 DT H3' . 31254 2 98 . 1 . 1 7 7 DT H4' H 1 4.296 0.002 . 1 . . 507 . X 8 DT H4' . 31254 2 99 . 1 . 1 7 7 DT H5' H 1 4.116 0.003 . 2 . . 551 . X 8 DT H5' . 31254 2 100 . 1 . 1 7 7 DT H5'' H 1 4.093 0.004 . 2 . . 552 . X 8 DT H5'' . 31254 2 101 . 1 . 1 7 7 DT H6 H 1 7.636 0.001 . 1 . . 308 . X 8 DT H6 . 31254 2 102 . 1 . 1 7 7 DT H71 H 1 2.026 0.001 . 1 . . 733 . X 8 DT H71 . 31254 2 103 . 1 . 1 7 7 DT H72 H 1 2.026 0.001 . 1 . . 733 . X 8 DT H72 . 31254 2 104 . 1 . 1 7 7 DT H73 H 1 2.026 0.001 . 1 . . 733 . X 8 DT H73 . 31254 2 105 . 1 . 1 7 7 DT C1' C 13 87.687 . . 1 . . 456 . X 8 DT C1' . 31254 2 106 . 1 . 1 7 7 DT C2' C 13 40.064 0.006 . 1 . . 604 . X 8 DT C2' . 31254 2 107 . 1 . 1 7 7 DT C4' C 13 86.914 . . 1 . . 582 . X 8 DT C4' . 31254 2 108 . 1 . 1 7 7 DT C5' C 13 68.135 0.007 . 1 . . 553 . X 8 DT C5' . 31254 2 109 . 1 . 1 7 7 DT C6 C 13 139.748 . . 1 . . 310 . X 8 DT C6 . 31254 2 110 . 1 . 1 8 8 DA H1' H 1 6.534 0.001 . 1 . . 315 . X 9 DA H1' . 31254 2 111 . 1 . 1 8 8 DA H2 H 1 8.258 0.001 . 1 . . 405 . X 9 DA H2 . 31254 2 112 . 1 . 1 8 8 DA H2' H 1 3.064 0.001 . 1 . . 317 . X 9 DA H2' . 31254 2 113 . 1 . 1 8 8 DA H2'' H 1 2.876 0.001 . 1 . . 316 . X 9 DA H2'' . 31254 2 114 . 1 . 1 8 8 DA H3' H 1 5.175 0.002 . 1 . . 424 . X 9 DA H3' . 31254 2 115 . 1 . 1 8 8 DA H4' H 1 4.548 0.002 . 1 . . 500 . X 9 DA H4' . 31254 2 116 . 1 . 1 8 8 DA H5' H 1 4.234 0.001 . 2 . . 504 . X 9 DA H5' . 31254 2 117 . 1 . 1 8 8 DA H5'' H 1 4.177 0.003 . 2 . . 505 . X 9 DA H5'' . 31254 2 118 . 1 . 1 8 8 DA H8 H 1 8.462 0.001 . 1 . . 313 . X 9 DA H8 . 31254 2 119 . 1 . 1 8 8 DA C1' C 13 86.492 . . 1 . . 446 . X 9 DA C1' . 31254 2 120 . 1 . 1 8 8 DA C2 C 13 155.494 . . 1 . . 406 . X 9 DA C2 . 31254 2 121 . 1 . 1 8 8 DA C2' C 13 40.830 0.017 . 1 . . 599 . X 9 DA C2' . 31254 2 122 . 1 . 1 8 8 DA C3' C 13 78.804 . . 1 . . 470 . X 9 DA C3' . 31254 2 123 . 1 . 1 8 8 DA C4' C 13 87.753 . . 1 . . 573 . X 9 DA C4' . 31254 2 124 . 1 . 1 8 8 DA C5' C 13 68.083 0.01 . 1 . . 506 . X 9 DA C5' . 31254 2 125 . 1 . 1 8 8 DA C8 C 13 142.624 . . 1 . . 314 . X 9 DA C8 . 31254 2 126 . 1 . 1 9 9 DG H1 H 1 11.912 0.003 . 1 . . 412 . X 10 DG H1 . 31254 2 127 . 1 . 1 9 9 DG H1' H 1 5.990 0.001 . 1 . . 319 . X 10 DG H1' . 31254 2 128 . 1 . 1 9 9 DG H2' H 1 3.473 0.001 . 1 . . 320 . X 10 DG H2' . 31254 2 129 . 1 . 1 9 9 DG H2'' H 1 3.045 0.001 . 1 . . 321 . X 10 DG H2'' . 31254 2 130 . 1 . 1 9 9 DG H3' H 1 5.064 0.002 . 1 . . 432 . X 10 DG H3' . 31254 2 131 . 1 . 1 9 9 DG H4' H 1 4.395 0.003 . 1 . . 590 . X 10 DG H4' . 31254 2 132 . 1 . 1 9 9 DG H5' H 1 4.184 0.002 . 2 . . 668 . X 10 DG H5' . 31254 2 133 . 1 . 1 9 9 DG H5'' H 1 4.367 0.003 . 2 . . 669 . X 10 DG H5'' . 31254 2 134 . 1 . 1 9 9 DG H8 H 1 7.397 0.002 . 1 . . 318 . X 10 DG H8 . 31254 2 135 . 1 . 1 9 9 DG C1' C 13 89.335 . . 1 . . 454 . X 10 DG C1' . 31254 2 136 . 1 . 1 9 9 DG C2' C 13 34.265 0.006 . 1 . . 594 . X 10 DG C2' . 31254 2 137 . 1 . 1 9 9 DG C4' C 13 86.784 . . 1 . . 682 . X 10 DG C4' . 31254 2 138 . 1 . 1 9 9 DG C5' C 13 67.295 . . 1 . . 667 . X 10 DG C5' . 31254 2 139 . 1 . 1 9 9 DG C8 C 13 141.787 . . 1 . . 325 . X 10 DG C8 . 31254 2 140 . 1 . 1 10 10 DG H1 H 1 12.144 0.001 . 1 . . 419 . X 11 DG H1 . 31254 2 141 . 1 . 1 10 10 DG H1' H 1 5.706 0.001 . 1 . . 324 . X 11 DG H1' . 31254 2 142 . 1 . 1 10 10 DG H2' H 1 2.663 0.002 . 1 . . 326 . X 11 DG H2' . 31254 2 143 . 1 . 1 10 10 DG H2'' H 1 2.664 0.001 . 1 . . 327 . X 11 DG H2'' . 31254 2 144 . 1 . 1 10 10 DG H3' H 1 5.102 0.001 . 1 . . 433 . X 11 DG H3' . 31254 2 145 . 1 . 1 10 10 DG H4' H 1 4.400 0.001 . 1 . . 487 . X 11 DG H4' . 31254 2 146 . 1 . 1 10 10 DG H5' H 1 4.324 0.002 . 2 . . 492 . X 11 DG H5' . 31254 2 147 . 1 . 1 10 10 DG H5'' H 1 4.255 0.004 . 2 . . 493 . X 11 DG H5'' . 31254 2 148 . 1 . 1 10 10 DG H8 H 1 8.076 0.001 . 1 . . 322 . X 11 DG H8 . 31254 2 149 . 1 . 1 10 10 DG C1' C 13 83.440 . . 1 . . 452 . X 11 DG C1' . 31254 2 150 . 1 . 1 10 10 DG C2' C 13 41.778 . . 1 . . 726 . X 11 DG C2' . 31254 2 151 . 1 . 1 10 10 DG C3' C 13 76.948 . . 1 . . 471 . X 11 DG C3' . 31254 2 152 . 1 . 1 10 10 DG C4' C 13 86.253 . . 1 . . 685 . X 11 DG C4' . 31254 2 153 . 1 . 1 10 10 DG C5' C 13 66.996 . . 1 . . 494 . X 11 DG C5' . 31254 2 154 . 1 . 1 10 10 DG C8 C 13 138.880 . . 1 . . 323 . X 11 DG C8 . 31254 2 155 . 1 . 1 11 11 DG H1 H 1 11.244 0.002 . 1 . . 420 . X 12 DG H1 . 31254 2 156 . 1 . 1 11 11 DG H1' H 1 6.309 0.001 . 1 . . 330 . X 12 DG H1' . 31254 2 157 . 1 . 1 11 11 DG H2' H 1 2.700 0.002 . 1 . . 331 . X 12 DG H2' . 31254 2 158 . 1 . 1 11 11 DG H2'' H 1 2.562 0.001 . 1 . . 332 . X 12 DG H2'' . 31254 2 159 . 1 . 1 11 11 DG H3' H 1 5.077 0.002 . 1 . . 434 . X 12 DG H3' . 31254 2 160 . 1 . 1 11 11 DG H4' H 1 4.557 0.002 . 1 . . 489 . X 12 DG H4' . 31254 2 161 . 1 . 1 11 11 DG H5' H 1 4.315 0.002 . 2 . . 488 . X 12 DG H5' . 31254 2 162 . 1 . 1 11 11 DG H5'' H 1 4.264 0.001 . 2 . . 490 . X 12 DG H5'' . 31254 2 163 . 1 . 1 11 11 DG H8 H 1 7.967 0.001 . 1 . . 328 . X 12 DG H8 . 31254 2 164 . 1 . 1 11 11 DG C1' C 13 84.365 . . 1 . . 450 . X 12 DG C1' . 31254 2 165 . 1 . 1 11 11 DG C2' C 13 42.152 0.006 . 1 . . 610 . X 12 DG C2' . 31254 2 166 . 1 . 1 11 11 DG C4' C 13 87.691 . . 1 . . 574 . X 12 DG C4' . 31254 2 167 . 1 . 1 11 11 DG C5' C 13 68.161 0.013 . 1 . . 491 . X 12 DG C5' . 31254 2 168 . 1 . 1 11 11 DG C8 C 13 137.198 . . 1 . . 329 . X 12 DG C8 . 31254 2 169 . 1 . 1 12 12 DT H1' H 1 6.288 0.002 . 1 . . 400 . X 13 DT H1' . 31254 2 170 . 1 . 1 12 12 DT H2' H 1 2.429 0.003 . 1 . . 401 . X 13 DT H2' . 31254 2 171 . 1 . 1 12 12 DT H2'' H 1 2.502 0.002 . 1 . . 402 . X 13 DT H2'' . 31254 2 172 . 1 . 1 12 12 DT H3' H 1 4.720 0.001 . 1 . . 445 . X 13 DT H3' . 31254 2 173 . 1 . 1 12 12 DT H4' H 1 4.227 0.001 . 1 . . 481 . X 13 DT H4' . 31254 2 174 . 1 . 1 12 12 DT H5' H 1 4.160 0.002 . 2 . . 501 . X 13 DT H5' . 31254 2 175 . 1 . 1 12 12 DT H5'' H 1 4.089 0.002 . 2 . . 502 . X 13 DT H5'' . 31254 2 176 . 1 . 1 12 12 DT H6 H 1 7.608 0.001 . 1 . . 398 . X 13 DT H6 . 31254 2 177 . 1 . 1 12 12 DT H71 H 1 1.899 0.001 . 1 . . 403 . X 13 DT H71 . 31254 2 178 . 1 . 1 12 12 DT H72 H 1 1.899 0.001 . 1 . . 403 . X 13 DT H72 . 31254 2 179 . 1 . 1 12 12 DT H73 H 1 1.899 0.001 . 1 . . 403 . X 13 DT H73 . 31254 2 180 . 1 . 1 12 12 DT C1' C 13 87.881 . . 1 . . 465 . X 13 DT C1' . 31254 2 181 . 1 . 1 12 12 DT C2' C 13 40.001 . . 1 . . 601 . X 13 DT C2' . 31254 2 182 . 1 . 1 12 12 DT C3' C 13 77.450 . . 1 . . 475 . X 13 DT C3' . 31254 2 183 . 1 . 1 12 12 DT C4' C 13 87.130 . . 1 . . 581 . X 13 DT C4' . 31254 2 184 . 1 . 1 12 12 DT C5' C 13 68.332 0.003 . 1 . . 503 . X 13 DT C5' . 31254 2 185 . 1 . 1 12 12 DT C6 C 13 140.351 . . 1 . . 399 . X 13 DT C6 . 31254 2 186 . 1 . 1 13 13 DT H1' H 1 5.360 0.002 . 1 . . 388 . X 14 DT H1' . 31254 2 187 . 1 . 1 13 13 DT H2' H 1 1.337 0.003 . 1 . . 393 . X 14 DT H2' . 31254 2 188 . 1 . 1 13 13 DT H2'' H 1 2.169 0.002 . 1 . . 392 . X 14 DT H2'' . 31254 2 189 . 1 . 1 13 13 DT H3' H 1 4.508 0.001 . 1 . . 444 . X 14 DT H3' . 31254 2 190 . 1 . 1 13 13 DT H4' H 1 3.972 0.002 . 1 . . 486 . X 14 DT H4' . 31254 2 191 . 1 . 1 13 13 DT H5' H 1 3.585 0.002 . 2 . . 530 . X 14 DT H5' . 31254 2 192 . 1 . 1 13 13 DT H5'' H 1 3.887 0.002 . 2 . . 531 . X 14 DT H5'' . 31254 2 193 . 1 . 1 13 13 DT H6 H 1 6.608 0.001 . 1 . . 389 . X 14 DT H6 . 31254 2 194 . 1 . 1 13 13 DT H71 H 1 1.341 0.001 . 1 . . 394 . X 14 DT H71 . 31254 2 195 . 1 . 1 13 13 DT H72 H 1 1.341 0.001 . 1 . . 394 . X 14 DT H72 . 31254 2 196 . 1 . 1 13 13 DT H73 H 1 1.341 0.001 . 1 . . 394 . X 14 DT H73 . 31254 2 197 . 1 . 1 13 13 DT C1' C 13 87.148 . . 1 . . 451 . X 14 DT C1' . 31254 2 198 . 1 . 1 13 13 DT C2' C 13 41.062 0.017 . 1 . . 602 . X 14 DT C2' . 31254 2 199 . 1 . 1 13 13 DT C3' C 13 79.800 . . 1 . . 472 . X 14 DT C3' . 31254 2 200 . 1 . 1 13 13 DT C4' C 13 86.776 . . 1 . . 485 . X 14 DT C4' . 31254 2 201 . 1 . 1 13 13 DT C5' C 13 68.110 . . 1 . . 532 . X 14 DT C5' . 31254 2 202 . 1 . 1 13 13 DT C6 C 13 137.168 . . 1 . . 391 . X 14 DT C6 . 31254 2 203 . 1 . 1 14 14 DA H1' H 1 6.288 0.002 . 1 . . 387 . X 15 DA H1' . 31254 2 204 . 1 . 1 14 14 DA H2 H 1 7.350 0.001 . 1 . . 410 . X 15 DA H2 . 31254 2 205 . 1 . 1 14 14 DA H2' H 1 2.222 0.001 . 1 . . 396 . X 15 DA H2' . 31254 2 206 . 1 . 1 14 14 DA H2'' H 1 2.474 0.002 . 1 . . 397 . X 15 DA H2'' . 31254 2 207 . 1 . 1 14 14 DA H3' H 1 4.653 0.002 . 1 . . 395 . X 15 DA H3' . 31254 2 208 . 1 . 1 14 14 DA H4' H 1 4.150 0.001 . 1 . . 482 . X 15 DA H4' . 31254 2 209 . 1 . 1 14 14 DA H5' H 1 3.473 0.002 . 2 . . 526 . X 15 DA H5' . 31254 2 210 . 1 . 1 14 14 DA H5'' H 1 2.743 0.004 . 2 . . 527 . X 15 DA H5'' . 31254 2 211 . 1 . 1 14 14 DA H8 H 1 7.738 0.001 . 1 . . 385 . X 15 DA H8 . 31254 2 212 . 1 . 1 14 14 DA C1' C 13 87.227 . . 1 . . 466 . X 15 DA C1' . 31254 2 213 . 1 . 1 14 14 DA C2 C 13 154.094 . . 1 . . 411 . X 15 DA C2 . 31254 2 214 . 1 . 1 14 14 DA C2' C 13 43.417 0.023 . 1 . . 605 . X 15 DA C2' . 31254 2 215 . 1 . 1 14 14 DA C3' C 13 80.235 . . 1 . . 474 . X 15 DA C3' . 31254 2 216 . 1 . 1 14 14 DA C4' C 13 87.942 . . 1 . . 483 . X 15 DA C4' . 31254 2 217 . 1 . 1 14 14 DA C5' C 13 67.639 0.009 . 1 . . 528 . X 15 DA C5' . 31254 2 218 . 1 . 1 14 14 DA C8 C 13 142.564 . . 1 . . 386 . X 15 DA C8 . 31254 2 219 . 1 . 1 15 15 DG H1 H 1 11.337 0.002 . 1 . . 422 . X 16 DG H1 . 31254 2 220 . 1 . 1 15 15 DG H1' H 1 6.122 0.001 . 1 . . 364 . X 16 DG H1' . 31254 2 221 . 1 . 1 15 15 DG H2' H 1 3.499 0.002 . 1 . . 366 . X 16 DG H2' . 31254 2 222 . 1 . 1 15 15 DG H2'' H 1 2.995 0.001 . 1 . . 365 . X 16 DG H2'' . 31254 2 223 . 1 . 1 15 15 DG H3' H 1 4.879 0.003 . 1 . . 443 . X 16 DG H3' . 31254 2 224 . 1 . 1 15 15 DG H4' H 1 4.471 0.001 . 1 . . 569 . X 16 DG H4' . 31254 2 225 . 1 . 1 15 15 DG H5' H 1 4.274 0.001 . 2 . . 570 . X 16 DG H5' . 31254 2 226 . 1 . 1 15 15 DG H5'' H 1 4.235 0.001 . 2 . . 571 . X 16 DG H5'' . 31254 2 227 . 1 . 1 15 15 DG H8 H 1 7.410 0.001 . 1 . . 367 . X 16 DG H8 . 31254 2 228 . 1 . 1 15 15 DG C1' C 13 88.370 . . 1 . . 464 . X 16 DG C1' . 31254 2 229 . 1 . 1 15 15 DG C2' C 13 36.467 0.006 . 1 . . 596 . X 16 DG C2' . 31254 2 230 . 1 . 1 15 15 DG C4' C 13 89.046 . . 1 . . 588 . X 16 DG C4' . 31254 2 231 . 1 . 1 15 15 DG C5' C 13 70.348 . . 1 . . 572 . X 16 DG C5' . 31254 2 232 . 1 . 1 15 15 DG C8 C 13 141.802 . . 1 . . 368 . X 16 DG C8 . 31254 2 233 . 1 . 1 16 16 DG H1 H 1 11.142 0.001 . 1 . . 421 . X 17 DG H1 . 31254 2 234 . 1 . 1 16 16 DG H1' H 1 5.807 0.001 . 1 . . 361 . X 17 DG H1' . 31254 2 235 . 1 . 1 16 16 DG H2' H 1 2.528 0.002 . 1 . . 363 . X 17 DG H2' . 31254 2 236 . 1 . 1 16 16 DG H2'' H 1 2.572 0.001 . 1 . . 362 . X 17 DG H2'' . 31254 2 237 . 1 . 1 16 16 DG H3' H 1 5.004 0.001 . 1 . . 442 . X 17 DG H3' . 31254 2 238 . 1 . 1 16 16 DG H4' H 1 4.271 0.002 . 1 . . 525 . X 17 DG H4' . 31254 2 239 . 1 . 1 16 16 DG H5' H 1 4.286 0.002 . 2 . . 560 . X 17 DG H5' . 31254 2 240 . 1 . 1 16 16 DG H5'' H 1 4.373 0.003 . 2 . . 561 . X 17 DG H5'' . 31254 2 241 . 1 . 1 16 16 DG H8 H 1 7.348 0.001 . 1 . . 357 . X 17 DG H8 . 31254 2 242 . 1 . 1 16 16 DG C1' C 13 88.531 . . 1 . . 458 . X 17 DG C1' . 31254 2 243 . 1 . 1 16 16 DG C2' C 13 38.146 . . 1 . . 597 . X 17 DG C2' . 31254 2 244 . 1 . 1 16 16 DG C4' C 13 86.628 . . 1 . . 583 . X 17 DG C4' . 31254 2 245 . 1 . 1 16 16 DG C5' C 13 67.256 0.007 . 1 . . 562 . X 17 DG C5' . 31254 2 246 . 1 . 1 16 16 DG C8 C 13 140.519 . . 1 . . 358 . X 17 DG C8 . 31254 2 247 . 1 . 1 17 17 DG H1 H 1 11.700 0.001 . 1 . . 418 . X 18 DG H1 . 31254 2 248 . 1 . 1 17 17 DG H1' H 1 5.936 0.001 . 1 . . 356 . X 18 DG H1' . 31254 2 249 . 1 . 1 17 17 DG H2' H 1 2.639 0.001 . 1 . . 359 . X 18 DG H2' . 31254 2 250 . 1 . 1 17 17 DG H2'' H 1 2.639 0.002 . 1 . . 360 . X 18 DG H2'' . 31254 2 251 . 1 . 1 17 17 DG H3' H 1 5.199 0.001 . 1 . . 441 . X 18 DG H3' . 31254 2 252 . 1 . 1 17 17 DG H4' H 1 4.410 0.002 . 1 . . 517 . X 18 DG H4' . 31254 2 253 . 1 . 1 17 17 DG H5' H 1 4.216 0.001 . 2 . . 563 . X 18 DG H5' . 31254 2 254 . 1 . 1 17 17 DG H5'' H 1 4.217 0.002 . 2 . . 564 . X 18 DG H5'' . 31254 2 255 . 1 . 1 17 17 DG H8 H 1 7.501 0.002 . 1 . . 354 . X 18 DG H8 . 31254 2 256 . 1 . 1 17 17 DG C1' C 13 83.721 . . 1 . . 462 . X 18 DG C1' . 31254 2 257 . 1 . 1 17 17 DG C2' C 13 41.541 . . 1 . . 614 . X 18 DG C2' . 31254 2 258 . 1 . 1 17 17 DG C3' C 13 78.707 . . 1 . . 469 . X 18 DG C3' . 31254 2 259 . 1 . 1 17 17 DG C4' C 13 87.342 . . 1 . . 681 . X 18 DG C4' . 31254 2 260 . 1 . 1 17 17 DG C5' C 13 67.395 . . 1 . . 565 . X 18 DG C5' . 31254 2 261 . 1 . 1 17 17 DG C8 C 13 137.468 . . 1 . . 355 . X 18 DG C8 . 31254 2 262 . 1 . 1 18 18 DT H1' H 1 6.388 0.002 . 1 . . 370 . X 19 DT H1' . 31254 2 263 . 1 . 1 18 18 DT H2' H 1 2.397 0.002 . 1 . . 374 . X 19 DT H2' . 31254 2 264 . 1 . 1 18 18 DT H2'' H 1 2.533 0.0 . 1 . . 373 . X 19 DT H2'' . 31254 2 265 . 1 . 1 18 18 DT H3' H 1 4.982 0.0 . 1 . . 440 . X 19 DT H3' . 31254 2 266 . 1 . 1 18 18 DT H4' H 1 4.479 0.001 . 1 . . 513 . X 19 DT H4' . 31254 2 267 . 1 . 1 18 18 DT H5' H 1 4.209 0.002 . 2 . . 518 . X 19 DT H5' . 31254 2 268 . 1 . 1 18 18 DT H5'' H 1 4.352 0.002 . 2 . . 519 . X 19 DT H5'' . 31254 2 269 . 1 . 1 18 18 DT H6 H 1 7.947 0.001 . 1 . . 369 . X 19 DT H6 . 31254 2 270 . 1 . 1 18 18 DT H71 H 1 2.060 0.001 . 1 . . 371 . X 19 DT H71 . 31254 2 271 . 1 . 1 18 18 DT H72 H 1 2.060 0.001 . 1 . . 371 . X 19 DT H72 . 31254 2 272 . 1 . 1 18 18 DT H73 H 1 2.060 0.001 . 1 . . 371 . X 19 DT H73 . 31254 2 273 . 1 . 1 18 18 DT C1' C 13 88.398 . . 1 . . 449 . X 19 DT C1' . 31254 2 274 . 1 . 1 18 18 DT C2' C 13 41.828 . . 1 . . 608 . X 19 DT C2' . 31254 2 275 . 1 . 1 18 18 DT C4' C 13 87.614 . . 1 . . 575 . X 19 DT C4' . 31254 2 276 . 1 . 1 18 18 DT C5' C 13 68.218 0.01 . 1 . . 520 . X 19 DT C5' . 31254 2 277 . 1 . 1 18 18 DT C6 C 13 139.996 . . 1 . . 372 . X 19 DT C6 . 31254 2 278 . 1 . 1 19 19 DT H1' H 1 5.806 0.002 . 1 . . 376 . X 20 DT H1' . 31254 2 279 . 1 . 1 19 19 DT H2' H 1 1.164 0.004 . 1 . . 379 . X 20 DT H2' . 31254 2 280 . 1 . 1 19 19 DT H2'' H 1 1.948 0.003 . 1 . . 378 . X 20 DT H2'' . 31254 2 281 . 1 . 1 19 19 DT H3' H 1 4.750 0.002 . 1 . . 439 . X 20 DT H3' . 31254 2 282 . 1 . 1 19 19 DT H4' H 1 4.217 0.001 . 1 . . 512 . X 20 DT H4' . 31254 2 283 . 1 . 1 19 19 DT H5' H 1 4.016 0.002 . 2 . . 514 . X 20 DT H5' . 31254 2 284 . 1 . 1 19 19 DT H5'' H 1 3.971 0.002 . 2 . . 515 . X 20 DT H5'' . 31254 2 285 . 1 . 1 19 19 DT H6 H 1 7.328 0.001 . 1 . . 375 . X 20 DT H6 . 31254 2 286 . 1 . 1 19 19 DT H71 H 1 1.640 0.003 . 1 . . 377 . X 20 DT H71 . 31254 2 287 . 1 . 1 19 19 DT H72 H 1 1.640 0.003 . 1 . . 377 . X 20 DT H72 . 31254 2 288 . 1 . 1 19 19 DT H73 H 1 1.640 0.003 . 1 . . 377 . X 20 DT H73 . 31254 2 289 . 1 . 1 19 19 DT C1' C 13 87.448 . . 1 . . 459 . X 20 DT C1' . 31254 2 290 . 1 . 1 19 19 DT C2' C 13 40.633 . . 1 . . 727 . X 20 DT C2' . 31254 2 291 . 1 . 1 19 19 DT C3' C 13 80.517 . . 1 . . 476 . X 20 DT C3' . 31254 2 292 . 1 . 1 19 19 DT C4' C 13 87.663 . . 1 . . 578 . X 20 DT C4' . 31254 2 293 . 1 . 1 19 19 DT C5' C 13 68.093 . . 1 . . 516 . X 20 DT C5' . 31254 2 294 . 1 . 1 19 19 DT C6 C 13 137.978 . . 1 . . 390 . X 20 DT C6 . 31254 2 295 . 1 . 1 20 20 DA H1' H 1 6.263 0.002 . 1 . . 382 . X 21 DA H1' . 31254 2 296 . 1 . 1 20 20 DA H2' H 1 2.907 0.003 . 1 . . 384 . X 21 DA H2' . 31254 2 297 . 1 . 1 20 20 DA H2'' H 1 2.795 0.002 . 1 . . 383 . X 21 DA H2'' . 31254 2 298 . 1 . 1 20 20 DA H3' H 1 5.062 0.002 . 1 . . 438 . X 21 DA H3' . 31254 2 299 . 1 . 1 20 20 DA H4' H 1 4.447 0.002 . 1 . . 508 . X 21 DA H4' . 31254 2 300 . 1 . 1 20 20 DA H5' H 1 3.869 0.003 . 2 . . 509 . X 21 DA H5' . 31254 2 301 . 1 . 1 20 20 DA H5'' H 1 4.049 0.001 . 2 . . 510 . X 21 DA H5'' . 31254 2 302 . 1 . 1 20 20 DA H8 H 1 8.197 0.001 . 1 . . 380 . X 21 DA H8 . 31254 2 303 . 1 . 1 20 20 DA C1' C 13 85.123 . . 1 . . 467 . X 21 DA C1' . 31254 2 304 . 1 . 1 20 20 DA C2' C 13 39.167 0.011 . 1 . . 598 . X 21 DA C2' . 31254 2 305 . 1 . 1 20 20 DA C3' C 13 78.749 . . 1 . . 693 . X 21 DA C3' . 31254 2 306 . 1 . 1 20 20 DA C4' C 13 87.388 . . 1 . . 586 . X 21 DA C4' . 31254 2 307 . 1 . 1 20 20 DA C5' C 13 68.221 . . 1 . . 511 . X 21 DA C5' . 31254 2 308 . 1 . 1 20 20 DA C8 C 13 140.944 . . 1 . . 381 . X 21 DA C8 . 31254 2 309 . 1 . 1 21 21 DG H1 H 1 11.478 0.002 . 1 . . 423 . X 22 DG H1 . 31254 2 310 . 1 . 1 21 21 DG H1' H 1 5.931 0.002 . 1 . . 349 . X 22 DG H1' . 31254 2 311 . 1 . 1 21 21 DG H2' H 1 3.418 0.002 . 1 . . 353 . X 22 DG H2' . 31254 2 312 . 1 . 1 21 21 DG H2'' H 1 2.941 0.002 . 1 . . 352 . X 22 DG H2'' . 31254 2 313 . 1 . 1 21 21 DG H3' H 1 5.001 0.0 . 1 . . 437 . X 22 DG H3' . 31254 2 314 . 1 . 1 21 21 DG H4' H 1 4.463 0.001 . 1 . . 542 . X 22 DG H4' . 31254 2 315 . 1 . 1 21 21 DG H5' H 1 4.461 0.002 . 2 . . 554 . X 22 DG H5' . 31254 2 316 . 1 . 1 21 21 DG H5'' H 1 4.409 0.0 . 2 . . 555 . X 22 DG H5'' . 31254 2 317 . 1 . 1 21 21 DG H8 H 1 7.076 0.001 . 1 . . 350 . X 22 DG H8 . 31254 2 318 . 1 . 1 21 21 DG C1' C 13 89.290 . . 1 . . 463 . X 22 DG C1' . 31254 2 319 . 1 . 1 21 21 DG C2' C 13 35.621 0.023 . 1 . . 612 . X 22 DG C2' . 31254 2 320 . 1 . 1 21 21 DG C4' C 13 87.949 . . 1 . . 587 . X 22 DG C4' . 31254 2 321 . 1 . 1 21 21 DG C5' C 13 68.824 0.003 . 1 . . 556 . X 22 DG C5' . 31254 2 322 . 1 . 1 21 21 DG C8 C 13 141.417 . . 1 . . 351 . X 22 DG C8 . 31254 2 323 . 1 . 1 22 22 DG H1 H 1 11.486 0.0 . 1 . . 417 . X 23 DG H1 . 31254 2 324 . 1 . 1 22 22 DG H1' H 1 5.784 0.002 . 1 . . 344 . X 23 DG H1' . 31254 2 325 . 1 . 1 22 22 DG H2' H 1 2.619 0.002 . 1 . . 346 . X 23 DG H2' . 31254 2 326 . 1 . 1 22 22 DG H2'' H 1 2.716 0.002 . 1 . . 345 . X 23 DG H2'' . 31254 2 327 . 1 . 1 22 22 DG H3' H 1 5.068 0.004 . 1 . . 436 . X 23 DG H3' . 31254 2 328 . 1 . 1 22 22 DG H4' H 1 4.435 0.001 . 1 . . 538 . X 23 DG H4' . 31254 2 329 . 1 . 1 22 22 DG H5' H 1 4.247 0.002 . 2 . . 539 . X 23 DG H5' . 31254 2 330 . 1 . 1 22 22 DG H5'' H 1 4.295 0.004 . 2 . . 540 . X 23 DG H5'' . 31254 2 331 . 1 . 1 22 22 DG H8 H 1 8.025 0.001 . 1 . . 347 . X 23 DG H8 . 31254 2 332 . 1 . 1 22 22 DG C1' C 13 83.384 . . 1 . . 461 . X 23 DG C1' . 31254 2 333 . 1 . 1 22 22 DG C2' C 13 41.925 0.017 . 1 . . 611 . X 23 DG C2' . 31254 2 334 . 1 . 1 22 22 DG C3' C 13 78.338 . . 1 . . 694 . X 23 DG C3' . 31254 2 335 . 1 . 1 22 22 DG C4' C 13 86.800 . . 1 . . 591 . X 23 DG C4' . 31254 2 336 . 1 . 1 22 22 DG C5' C 13 67.537 . . 1 . . 541 . X 23 DG C5' . 31254 2 337 . 1 . 1 22 22 DG C8 C 13 137.889 . . 1 . . 348 . X 23 DG C8 . 31254 2 338 . 1 . 1 23 23 DG H1 H 1 10.628 0.002 . 1 . . 416 . X 24 DG H1 . 31254 2 339 . 1 . 1 23 23 DG H1' H 1 5.881 0.0 . 1 . . 339 . X 24 DG H1' . 31254 2 340 . 1 . 1 23 23 DG H2' H 1 2.189 0.002 . 1 . . 341 . X 24 DG H2' . 31254 2 341 . 1 . 1 23 23 DG H2'' H 1 2.563 0.001 . 1 . . 340 . X 24 DG H2'' . 31254 2 342 . 1 . 1 23 23 DG H3' H 1 4.940 0.001 . 1 . . 435 . X 24 DG H3' . 31254 2 343 . 1 . 1 23 23 DG H4' H 1 4.433 0.002 . 1 . . 547 . X 24 DG H4' . 31254 2 344 . 1 . 1 23 23 DG H5' H 1 4.241 0.001 . 2 . . 566 . X 24 DG H5' . 31254 2 345 . 1 . 1 23 23 DG H5'' H 1 4.259 0.003 . 2 . . 567 . X 24 DG H5'' . 31254 2 346 . 1 . 1 23 23 DG H8 H 1 7.405 0.002 . 1 . . 342 . X 24 DG H8 . 31254 2 347 . 1 . 1 23 23 DG C1' C 13 84.916 . . 1 . . 457 . X 24 DG C1' . 31254 2 348 . 1 . 1 23 23 DG C2' C 13 41.913 0.006 . 1 . . 606 . X 24 DG C2' . 31254 2 349 . 1 . 1 23 23 DG C4' C 13 86.992 . . 1 . . 589 . X 24 DG C4' . 31254 2 350 . 1 . 1 23 23 DG C5' C 13 68.761 0.003 . 1 . . 568 . X 24 DG C5' . 31254 2 351 . 1 . 1 23 23 DG C8 C 13 136.597 . . 1 . . 343 . X 24 DG C8 . 31254 2 352 . 1 . 1 24 24 DA H1' H 1 6.134 0.002 . 1 . . 336 . X 25 DA H1' . 31254 2 353 . 1 . 1 24 24 DA H2 H 1 7.528 0.001 . 1 . . 404 . X 25 DA H2 . 31254 2 354 . 1 . 1 24 24 DA H2' H 1 2.708 0.002 . 1 . . 338 . X 25 DA H2' . 31254 2 355 . 1 . 1 24 24 DA H2'' H 1 2.439 0.002 . 1 . . 337 . X 25 DA H2'' . 31254 2 356 . 1 . 1 24 24 DA H3' H 1 4.717 0.001 . 1 . . 333 . X 25 DA H3' . 31254 2 357 . 1 . 1 24 24 DA H4' H 1 4.234 0.002 . 1 . . 546 . X 25 DA H4' . 31254 2 358 . 1 . 1 24 24 DA H5' H 1 4.168 0.003 . 2 . . 548 . X 25 DA H5' . 31254 2 359 . 1 . 1 24 24 DA H5'' H 1 4.169 0.002 . 2 . . 549 . X 25 DA H5'' . 31254 2 360 . 1 . 1 24 24 DA H8 H 1 7.910 0.001 . 1 . . 335 . X 25 DA H8 . 31254 2 361 . 1 . 1 24 24 DA C1' C 13 85.235 . . 1 . . 593 . X 25 DA C1' . 31254 2 362 . 1 . 1 24 24 DA C2 C 13 154.177 . . 1 . . 407 . X 25 DA C2 . 31254 2 363 . 1 . 1 24 24 DA C2' C 13 41.681 0.011 . 1 . . 609 . X 25 DA C2' . 31254 2 364 . 1 . 1 24 24 DA C3' C 13 72.961 . . 1 . . 334 . X 25 DA C3' . 31254 2 365 . 1 . 1 24 24 DA C4' C 13 87.849 . . 1 . . 580 . X 25 DA C4' . 31254 2 366 . 1 . 1 24 24 DA C5' C 13 67.572 0.007 . 1 . . 550 . X 25 DA C5' . 31254 2 stop_ save_