data_26377 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 26377 _Entry.Title ; 1:2 complex between double-stranded DNA containing d(CGG/CGG) motif and NCAD molecule ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2026-03-27 _Entry.Accession_date 2026-03-30 _Entry.Last_release_date 2026-03-30 _Entry.Original_release_date 2026-03-30 _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 _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 Shuhei Sakurabayashi . . . . 26377 2 Yohei Shinno . . . . 26377 3 Kyoko Furuita . . . . 26377 4 Chojiro Kojima . . . . 26377 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26377 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 83 26377 '15N chemical shifts' 10 26377 '1H chemical shifts' 147 26377 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 . . 2026-06-29 . original BMRB . 26377 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 26377 _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 ; Structural basis for an asymmetric naphthyridine dimer that enhances binding to d(CGG/CGG) ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Shuhei Sakurabayashi . . . . 26377 1 2 Yohei Shinno . . . . 26377 1 3 Ayano Nakamachi . . . . 26377 1 4 Yuki Yoshiizumi . . . . 26377 1 5 Koichi Miyagawa . . . . 26377 1 6 Kyoko Furuita . . . . 26377 1 7 Tomonori Shibata . . . . 26377 1 8 Chikara Dohno . . . . 26377 1 9 Yohei Miyanoiri . . . . 26377 1 10 Kazuhiko Nakatani . . . . 26377 1 11 Chojiro Kojima . . . . 26377 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 26377 _Assembly.ID 1 _Assembly.Name 'The complex between d(CGG/CGG) and NCAD' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic . _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'NCAD: C25H27N7O3.' _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 1 1 $entity_1 . . yes native no no . . . 26377 1 2 2 2 $entity_2 . . yes native no no . . . 26377 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 26377 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'double-stranded DNA containing d(CGG/CGG) motif' _Entity.Type polymer _Entity.Polymer_common_type DNA _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; CTAACGGAATG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 11 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 DC . 26377 1 2 2 DT . 26377 1 3 3 DA . 26377 1 4 4 DA . 26377 1 5 5 DC . 26377 1 6 6 DG . 26377 1 7 7 DG . 26377 1 8 8 DA . 26377 1 9 9 DA . 26377 1 10 10 DT . 26377 1 11 11 DG . 26377 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 . DC 1 1 26377 1 . DT 2 2 26377 1 . DA 3 3 26377 1 . DA 4 4 26377 1 . DC 5 5 26377 1 . DG 6 6 26377 1 . DG 7 7 26377 1 . DA 8 8 26377 1 . DA 9 9 26377 1 . DT 10 10 26377 1 . DG 11 11 26377 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 26377 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'double-stranded DNA containing d(CGG/CGG) motif' _Entity.Type polymer _Entity.Polymer_common_type DNA _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; CATTCGGTTAG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 11 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 12 DC . 26377 2 2 13 DA . 26377 2 3 14 DT . 26377 2 4 15 DT . 26377 2 5 16 DC . 26377 2 6 17 DG . 26377 2 7 18 DG . 26377 2 8 19 DT . 26377 2 9 20 DT . 26377 2 10 21 DA . 26377 2 11 22 DG . 26377 2 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 . DC 1 1 26377 2 . DA 2 2 26377 2 . DT 3 3 26377 2 . DT 4 4 26377 2 . DC 5 5 26377 2 . DG 6 6 26377 2 . DG 7 7 26377 2 . DT 8 8 26377 2 . DT 9 9 26377 2 . DA 10 10 26377 2 . DG 11 11 26377 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 26377 _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 . . . Metazoa Homo sapiens . . . . . . . . . . . . . 26377 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' human . . . Metazoa Homo sapiens . . . . . . . . . . . . . 26377 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 26377 _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' unidentified . . . . . . . . . . . . . . . 26377 1 2 2 $entity_2 . 'chemical synthesis' unidentified . . . . . . . . . . . . . . . 26377 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26377 _Sample.ID 1 _Sample.Name 'The complex between d(CGG/CGG) and NCAD' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 'double-stranded DNA containing d(CGG/CGG) motif' 'natural abundance' 1 $assembly_1 1 $entity_1 . DNA 2 . . mM . . . . 26377 1 2 'double-stranded DNA containing d(CGG/CGG) motif' 'natural abundance' 1 $assembly_1 2 $entity_2 . DNA 2 . . mM . . . . 26377 1 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 26377 1 4 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 26377 1 5 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 26377 1 6 D2O [U-2H] . . . . . solvent 5 . . % . . . . 26377 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 26377 _Sample_condition_list.ID 1 _Sample_condition_list.Name 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 26377 1 pH 6.8 . pH 26377 1 pressure 1 . atm 26377 1 temperature 293 . K 26377 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 26377 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.7 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 26377 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 26377 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 1.470 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 26377 2 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 26377 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 950 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 26377 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 800 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 26377 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 26377 1 2 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26377 1 3 '2D 1H-15N HSQC' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26377 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 26377 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS-d6 _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 na indirect 0.251449530 . . . . . 26377 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . 26377 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 26377 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 26377 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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' 1 $sample_1 isotropic 26377 1 2 '2D 1H-13C HSQC' 1 $sample_1 isotropic 26377 1 3 '2D 1H-15N HSQC' 1 $sample_1 isotropic 26377 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 26377 1 2 $software_2 . . 26377 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 DC H1' H 1 5.755 0.00 . 1 . . . . . 1 CYT H1' . 26377 1 2 . 1 . 1 1 1 DC H2' H 1 2.080 0.00 . 2 . . . . . 1 CYT H2' . 26377 1 3 . 1 . 1 1 1 DC H2'' H 1 2.459 0.00 . 2 . . . . . 1 CYT H2'' . 26377 1 4 . 1 . 1 1 1 DC H3' H 1 4.583 0.00 . 1 . . . . . 1 CYT H3' . 26377 1 5 . 1 . 1 1 1 DC H5 H 1 5.847 0.00 . 1 . . . . . 1 CYT H5 . 26377 1 6 . 1 . 1 1 1 DC H6 H 1 7.764 0.00 . 1 . . . . . 1 CYT H6 . 26377 1 7 . 1 . 1 1 1 DC C1' C 13 85.674 0.00 . 1 . . . . . 1 CYT C1' . 26377 1 8 . 1 . 1 1 1 DC C2' C 13 38.107 0.00 . 1 . . . . . 1 CYT C2' . 26377 1 9 . 1 . 1 1 1 DC C3' C 13 69.799 0.00 . 1 . . . . . 1 CYT C3' . 26377 1 10 . 1 . 1 1 1 DC C6 C 13 140.446 0.00 . 1 . . . . . 1 CYT C6 . 26377 1 11 . 1 . 1 2 2 DT H1' H 1 5.510 0.00 . 1 . . . . . 2 THY H1' . 26377 1 12 . 1 . 1 2 2 DT H2' H 1 2.067 0.00 . 2 . . . . . 2 THY H2' . 26377 1 13 . 1 . 1 2 2 DT H2'' H 1 2.353 0.00 . 2 . . . . . 2 THY H2'' . 26377 1 14 . 1 . 1 2 2 DT H3 H 1 13.531 0.00 . 1 . . . . . 2 THY H3 . 26377 1 15 . 1 . 1 2 2 DT H3' H 1 4.799 0.00 . 1 . . . . . 2 THY H3' . 26377 1 16 . 1 . 1 2 2 DT H6 H 1 7.442 0.00 . 1 . . . . . 2 THY H6 . 26377 1 17 . 1 . 1 2 2 DT H71 H 1 1.611 0.00 . 1 . . . . . 2 THY H71 . 26377 1 18 . 1 . 1 2 2 DT H72 H 1 1.611 0.00 . 1 . . . . . 2 THY H72 . 26377 1 19 . 1 . 1 2 2 DT H73 H 1 1.611 0.00 . 1 . . . . . 2 THY H73 . 26377 1 20 . 1 . 1 2 2 DT C1' C 13 83.151 0.00 . 1 . . . . . 2 THY C1' . 26377 1 21 . 1 . 1 2 2 DT C2' C 13 36.448 0.00 . 1 . . . . . 2 THY C2' . 26377 1 22 . 1 . 1 2 2 DT C6 C 13 137.202 0.00 . 1 . . . . . 2 THY C6 . 26377 1 23 . 1 . 1 2 2 DT C7 C 13 11.729 0.00 . 1 . . . . . 2 THY C7 . 26377 1 24 . 1 . 1 2 2 DT N3 N 15 159.180 0.00 . 1 . . . . . 2 THY N3 . 26377 1 25 . 1 . 1 3 3 DA H1' H 1 5.745 0.00 . 1 . . . . . 3 ADE H1' . 26377 1 26 . 1 . 1 3 3 DA H2 H 1 6.872 0.00 . 1 . . . . . 3 ADE H2 . 26377 1 27 . 1 . 1 3 3 DA H2' H 1 2.492 0.00 . 2 . . . . . 3 ADE H2' . 26377 1 28 . 1 . 1 3 3 DA H2'' H 1 2.578 0.00 . 2 . . . . . 3 ADE H2'' . 26377 1 29 . 1 . 1 3 3 DA H3' H 1 4.931 0.00 . 1 . . . . . 3 ADE H3' . 26377 1 30 . 1 . 1 3 3 DA H8 H 1 7.999 0.00 . 1 . . . . . 3 ADE H8 . 26377 1 31 . 1 . 1 3 3 DA C1' C 13 81.734 0.00 . 1 . . . . . 3 ADE C1' . 26377 1 32 . 1 . 1 3 3 DA C2 C 13 150.894 0.00 . 1 . . . . . 3 ADE C2 . 26377 1 33 . 1 . 1 3 3 DA C2' C 13 37.403 0.00 . 1 . . . . . 3 ADE C2' . 26377 1 34 . 1 . 1 3 3 DA C8 C 13 139.041 0.00 . 1 . . . . . 3 ADE C8 . 26377 1 35 . 1 . 1 4 4 DA H1' H 1 5.299 0.00 . 1 . . . . . 4 ADE H1' . 26377 1 36 . 1 . 1 4 4 DA H2 H 1 7.409 0.00 . 1 . . . . . 4 ADE H2 . 26377 1 37 . 1 . 1 4 4 DA H2' H 1 1.866 0.00 . 2 . . . . . 4 ADE H2' . 26377 1 38 . 1 . 1 4 4 DA H2'' H 1 1.879 0.00 . 2 . . . . . 4 ADE H2'' . 26377 1 39 . 1 . 1 4 4 DA H3' H 1 4.906 0.00 . 1 . . . . . 4 ADE H3' . 26377 1 40 . 1 . 1 4 4 DA H8 H 1 7.111 0.00 . 1 . . . . . 4 ADE H8 . 26377 1 41 . 1 . 1 4 4 DA C1' C 13 80.141 0.00 . 1 . . . . . 4 ADE C1' . 26377 1 42 . 1 . 1 4 4 DA C2 C 13 151.212 0.00 . 1 . . . . . 4 ADE C2 . 26377 1 43 . 1 . 1 4 4 DA C2' C 13 38.910 0.00 . 1 . . . . . 4 ADE C2' . 26377 1 44 . 1 . 1 4 4 DA C8 C 13 136.425 0.00 . 1 . . . . . 4 ADE C8 . 26377 1 45 . 1 . 1 5 5 DC H1' H 1 6.708 0.00 . 1 . . . . . 5 CYT H1' . 26377 1 46 . 1 . 1 5 5 DC H2' H 1 2.534 0.00 . 2 . . . . . 5 CYT H2' . 26377 1 47 . 1 . 1 5 5 DC H2'' H 1 2.660 0.00 . 2 . . . . . 5 CYT H2'' . 26377 1 48 . 1 . 1 5 5 DC H3' H 1 5.163 0.00 . 1 . . . . . 5 CYT H3' . 26377 1 49 . 1 . 1 5 5 DC H5 H 1 6.256 0.00 . 1 . . . . . 5 CYT H5 . 26377 1 50 . 1 . 1 5 5 DC H6 H 1 8.043 0.00 . 1 . . . . . 5 CYT H6 . 26377 1 51 . 1 . 1 5 5 DC C1' C 13 86.098 0.00 . 1 . . . . . 5 CYT C1' . 26377 1 52 . 1 . 1 5 5 DC C3' C 13 78.691 0.00 . 1 . . . . . 5 CYT C3' . 26377 1 53 . 1 . 1 5 5 DC C5 C 13 96.969 0.00 . 1 . . . . . 5 CYT C5 . 26377 1 54 . 1 . 1 5 5 DC C6 C 13 141.421 0.00 . 1 . . . . . 5 CYT C6 . 26377 1 55 . 1 . 1 6 6 DG H1 H 1 11.093 0.00 . 1 . . . . . 6 GUA H1 . 26377 1 56 . 1 . 1 6 6 DG H1' H 1 4.942 0.00 . 1 . . . . . 6 GUA H1' . 26377 1 57 . 1 . 1 6 6 DG H2' H 1 2.497 0.00 . 2 . . . . . 6 GUA H2' . 26377 1 58 . 1 . 1 6 6 DG H2'' H 1 2.499 0.00 . 2 . . . . . 6 GUA H2'' . 26377 1 59 . 1 . 1 6 6 DG H3' H 1 4.983 0.00 . 1 . . . . . 6 GUA H3' . 26377 1 60 . 1 . 1 6 6 DG H8 H 1 8.016 0.00 . 1 . . . . . 6 GUA H8 . 26377 1 61 . 1 . 1 6 6 DG C8 C 13 136.414 0.00 . 1 . . . . . 6 GUA C8 . 26377 1 62 . 1 . 1 6 6 DG N1 N 15 143.434 0.00 . 1 . . . . . 6 GUA N1 . 26377 1 63 . 1 . 1 7 7 DG H1 H 1 12.018 0.00 . 1 . . . . . 7 GUA H1 . 26377 1 64 . 1 . 1 7 7 DG H1' H 1 5.760 0.00 . 1 . . . . . 7 GUA H1' . 26377 1 65 . 1 . 1 7 7 DG H2' H 1 2.818 0.00 . 2 . . . . . 7 GUA H2' . 26377 1 66 . 1 . 1 7 7 DG H2'' H 1 2.870 0.00 . 2 . . . . . 7 GUA H2'' . 26377 1 67 . 1 . 1 7 7 DG H3' H 1 4.909 0.00 . 1 . . . . . 7 GUA H3' . 26377 1 68 . 1 . 1 7 7 DG H8 H 1 8.041 0.00 . 1 . . . . . 7 GUA H8 . 26377 1 69 . 1 . 1 7 7 DG C1' C 13 81.733 0.00 . 1 . . . . . 7 GUA C1' . 26377 1 70 . 1 . 1 7 7 DG C2' C 13 37.186 0.00 . 1 . . . . . 7 GUA C2' . 26377 1 71 . 1 . 1 7 7 DG C8 C 13 136.168 0.00 . 1 . . . . . 7 GUA C8 . 26377 1 72 . 1 . 1 7 7 DG N1 N 15 145.107 0.00 . 1 . . . . . 7 GUA N1 . 26377 1 73 . 1 . 1 8 8 DA H1' H 1 5.831 0.00 . 1 . . . . . 8 ADE H1' . 26377 1 74 . 1 . 1 8 8 DA H2 H 1 7.040 0.00 . 1 . . . . . 8 ADE H2 . 26377 1 75 . 1 . 1 8 8 DA H2' H 1 2.659 0.00 . 2 . . . . . 8 ADE H2' . 26377 1 76 . 1 . 1 8 8 DA H2'' H 1 2.713 0.00 . 2 . . . . . 8 ADE H2'' . 26377 1 77 . 1 . 1 8 8 DA H3' H 1 5.045 0.00 . 1 . . . . . 8 ADE H3' . 26377 1 78 . 1 . 1 8 8 DA H8 H 1 8.041 0.00 . 1 . . . . . 8 ADE H8 . 26377 1 79 . 1 . 1 8 8 DA C1' C 13 81.512 0.00 . 1 . . . . . 8 ADE C1' . 26377 1 80 . 1 . 1 8 8 DA C2 C 13 151.004 0.00 . 1 . . . . . 8 ADE C2 . 26377 1 81 . 1 . 1 8 8 DA C2' C 13 38.737 0.00 . 1 . . . . . 8 ADE C2' . 26377 1 82 . 1 . 1 8 8 DA C8 C 13 138.072 0.00 . 1 . . . . . 8 ADE C8 . 26377 1 83 . 1 . 1 9 9 DA H1' H 1 6.238 0.00 . 1 . . . . . 9 ADE H1' . 26377 1 84 . 1 . 1 9 9 DA H2 H 1 7.581 0.00 . 1 . . . . . 9 ADE H2 . 26377 1 85 . 1 . 1 9 9 DA H2' H 1 2.588 0.00 . 2 . . . . . 9 ADE H2' . 26377 1 86 . 1 . 1 9 9 DA H2'' H 1 2.869 0.00 . 2 . . . . . 9 ADE H2'' . 26377 1 87 . 1 . 1 9 9 DA H3' H 1 5.035 0.00 . 1 . . . . . 9 ADE H3' . 26377 1 88 . 1 . 1 9 9 DA H8 H 1 8.246 0.00 . 1 . . . . . 9 ADE H8 . 26377 1 89 . 1 . 1 9 9 DA C1' C 13 82.513 0.00 . 1 . . . . . 9 ADE C1' . 26377 1 90 . 1 . 1 9 9 DA C2 C 13 152.001 0.00 . 1 . . . . . 9 ADE C2 . 26377 1 91 . 1 . 1 9 9 DA C2' C 13 38.496 0.00 . 1 . . . . . 9 ADE C2' . 26377 1 92 . 1 . 1 9 9 DA C8 C 13 138.661 0.00 . 1 . . . . . 9 ADE C8 . 26377 1 93 . 1 . 1 10 10 DT H1' H 1 5.715 0.00 . 1 . . . . . 10 THY H1' . 26377 1 94 . 1 . 1 10 10 DT H2' H 1 1.840 0.00 . 2 . . . . . 10 THY H2' . 26377 1 95 . 1 . 1 10 10 DT H2'' H 1 2.281 0.00 . 2 . . . . . 10 THY H2'' . 26377 1 96 . 1 . 1 10 10 DT H3 H 1 13.505 0.00 . 1 . . . . . 10 THY H3 . 26377 1 97 . 1 . 1 10 10 DT H3' H 1 4.805 0.00 . 1 . . . . . 10 THY H3' . 26377 1 98 . 1 . 1 10 10 DT H6 H 1 7.036 0.00 . 1 . . . . . 10 THY H6 . 26377 1 99 . 1 . 1 10 10 DT H71 H 1 1.388 0.00 . 1 . . . . . 10 THY H71 . 26377 1 100 . 1 . 1 10 10 DT H72 H 1 1.388 0.00 . 1 . . . . . 10 THY H72 . 26377 1 101 . 1 . 1 10 10 DT H73 H 1 1.388 0.00 . 1 . . . . . 10 THY H73 . 26377 1 102 . 1 . 1 10 10 DT C1' C 13 82.111 0.00 . 1 . . . . . 10 THY C1' . 26377 1 103 . 1 . 1 10 10 DT C2' C 13 36.391 0.00 . 1 . . . . . 10 THY C2' . 26377 1 104 . 1 . 1 10 10 DT C6 C 13 135.646 0.00 . 1 . . . . . 10 THY C6 . 26377 1 105 . 1 . 1 10 10 DT C7 C 13 11.594 0.00 . 1 . . . . . 10 THY C7 . 26377 1 106 . 1 . 1 10 10 DT N3 N 15 158.726 0.00 . 1 . . . . . 10 THY N3 . 26377 1 107 . 1 . 1 11 11 DG H1' H 1 6.061 0.00 . 1 . . . . . 11 GUA H1' . 26377 1 108 . 1 . 1 11 11 DG H2' H 1 2.512 0.00 . 2 . . . . . 11 GUA H2' . 26377 1 109 . 1 . 1 11 11 DG H2'' H 1 2.294 0.00 . 2 . . . . . 11 GUA H2'' . 26377 1 110 . 1 . 1 11 11 DG H3' H 1 4.630 0.00 . 1 . . . . . 11 GUA H3' . 26377 1 111 . 1 . 1 11 11 DG H8 H 1 7.798 0.00 . 1 . . . . . 11 GUA H8 . 26377 1 112 . 1 . 1 11 11 DG C1' C 13 81.965 0.00 . 1 . . . . . 11 GUA C1' . 26377 1 113 . 1 . 1 11 11 DG C2' C 13 39.411 0.00 . 1 . . . . . 11 GUA C2' . 26377 1 114 . 1 . 1 11 11 DG C3' C 13 70.633 0.00 . 1 . . . . . 11 GUA C3' . 26377 1 115 . 1 . 1 11 11 DG C8 C 13 136.428 0.00 . 1 . . . . . 11 GUA C8 . 26377 1 116 . 2 . 2 1 1 DC H1' H 1 5.606 0.00 . 1 . . . . . 12 CYT H1' . 26377 1 117 . 2 . 2 1 1 DC H2' H 1 1.995 0.00 . 2 . . . . . 12 CYT H2' . 26377 1 118 . 2 . 2 1 1 DC H2'' H 1 2.402 0.00 . 2 . . . . . 12 CYT H2'' . 26377 1 119 . 2 . 2 1 1 DC H3' H 1 4.662 0.00 . 1 . . . . . 12 CYT H3' . 26377 1 120 . 2 . 2 1 1 DC H5 H 1 5.867 0.00 . 1 . . . . . 12 CYT H5 . 26377 1 121 . 2 . 2 1 1 DC H6 H 1 7.647 0.00 . 1 . . . . . 12 CYT H6 . 26377 1 122 . 2 . 2 1 1 DC C1' C 13 85.069 0.00 . 1 . . . . . 12 CYT C1' . 26377 1 123 . 2 . 2 1 1 DC C2' C 13 37.686 0.00 . 1 . . . . . 12 CYT C2' . 26377 1 124 . 2 . 2 1 1 DC C3' C 13 74.607 0.00 . 1 . . . . . 12 CYT C3' . 26377 1 125 . 2 . 2 1 1 DC C6 C 13 140.544 0.00 . 1 . . . . . 12 CYT C6 . 26377 1 126 . 2 . 2 2 2 DA H1' H 1 6.239 0.00 . 1 . . . . . 13 ADE H1' . 26377 1 127 . 2 . 2 2 2 DA H2 H 1 7.686 0.00 . 1 . . . . . 13 ADE H2 . 26377 1 128 . 2 . 2 2 2 DA H2' H 1 2.676 0.00 . 2 . . . . . 13 ADE H2' . 26377 1 129 . 2 . 2 2 2 DA H2'' H 1 2.883 0.00 . 2 . . . . . 13 ADE H2'' . 26377 1 130 . 2 . 2 2 2 DA H3' H 1 4.962 0.00 . 1 . . . . . 13 ADE H3' . 26377 1 131 . 2 . 2 2 2 DA H8 H 1 8.315 0.00 . 1 . . . . . 13 ADE H8 . 26377 1 132 . 2 . 2 2 2 DA C1' C 13 82.513 0.00 . 1 . . . . . 13 ADE C1' . 26377 1 133 . 2 . 2 2 2 DA C2 C 13 151.961 0.00 . 1 . . . . . 13 ADE C2 . 26377 1 134 . 2 . 2 2 2 DA C2' C 13 38.054 0.00 . 1 . . . . . 13 ADE C2' . 26377 1 135 . 2 . 2 2 2 DA C8 C 13 139.305 0.00 . 1 . . . . . 13 ADE C8 . 26377 1 136 . 2 . 2 3 3 DT H1' H 1 5.832 0.00 . 1 . . . . . 14 THY H1' . 26377 1 137 . 2 . 2 3 3 DT H2' H 1 1.781 0.00 . 2 . . . . . 14 THY H2' . 26377 1 138 . 2 . 2 3 3 DT H2'' H 1 2.270 0.00 . 2 . . . . . 14 THY H2'' . 26377 1 139 . 2 . 2 3 3 DT H3 H 1 13.429 0.00 . 1 . . . . . 14 THY H3 . 26377 1 140 . 2 . 2 3 3 DT H3' H 1 4.790 0.00 . 1 . . . . . 14 THY H3' . 26377 1 141 . 2 . 2 3 3 DT H6 H 1 7.031 0.00 . 1 . . . . . 14 THY H6 . 26377 1 142 . 2 . 2 3 3 DT H71 H 1 1.167 0.00 . 1 . . . . . 14 THY H71 . 26377 1 143 . 2 . 2 3 3 DT H72 H 1 1.167 0.00 . 1 . . . . . 14 THY H72 . 26377 1 144 . 2 . 2 3 3 DT H73 H 1 1.167 0.00 . 1 . . . . . 14 THY H73 . 26377 1 145 . 2 . 2 3 3 DT C1' C 13 82.080 0.00 . 1 . . . . . 14 THY C1' . 26377 1 146 . 2 . 2 3 3 DT C2' C 13 35.850 0.00 . 1 . . . . . 14 THY C2' . 26377 1 147 . 2 . 2 3 3 DT C6 C 13 135.646 0.00 . 1 . . . . . 14 THY C6 . 26377 1 148 . 2 . 2 3 3 DT C7 C 13 11.272 0.00 . 1 . . . . . 14 THY C7 . 26377 1 149 . 2 . 2 3 3 DT N3 N 15 158.670 0.00 . 1 . . . . . 14 THY N3 . 26377 1 150 . 2 . 2 4 4 DT H1' H 1 5.438 0.00 . 1 . . . . . 15 THY H1' . 26377 1 151 . 2 . 2 4 4 DT H2' H 1 1.362 0.00 . 2 . . . . . 15 THY H2' . 26377 1 152 . 2 . 2 4 4 DT H2'' H 1 1.770 0.00 . 2 . . . . . 15 THY H2'' . 26377 1 153 . 2 . 2 4 4 DT H3 H 1 13.410 0.00 . 1 . . . . . 15 THY H3 . 26377 1 154 . 2 . 2 4 4 DT H3' H 1 4.712 0.16 . 1 . . . . . 15 THY H3' . 26377 1 155 . 2 . 2 4 4 DT H6 H 1 6.244 0.00 . 1 . . . . . 15 THY H6 . 26377 1 156 . 2 . 2 4 4 DT H71 H 1 1.067 0.00 . 1 . . . . . 15 THY H71 . 26377 1 157 . 2 . 2 4 4 DT H72 H 1 1.067 0.00 . 1 . . . . . 15 THY H72 . 26377 1 158 . 2 . 2 4 4 DT H73 H 1 1.067 0.00 . 1 . . . . . 15 THY H73 . 26377 1 159 . 2 . 2 4 4 DT C1' C 13 81.050 0.00 . 1 . . . . . 15 THY C1' . 26377 1 160 . 2 . 2 4 4 DT C2' C 13 37.875 0.00 . 1 . . . . . 15 THY C2' . 26377 1 161 . 2 . 2 4 4 DT C6 C 13 134.872 0.00 . 1 . . . . . 15 THY C6 . 26377 1 162 . 2 . 2 4 4 DT C7 C 13 11.118 0.00 . 1 . . . . . 15 THY C7 . 26377 1 163 . 2 . 2 4 4 DT N3 N 15 158.662 0.00 . 1 . . . . . 15 THY N3 . 26377 1 164 . 2 . 2 5 5 DC H1' H 1 6.731 0.00 . 1 . . . . . 16 CYT H1' . 26377 1 165 . 2 . 2 5 5 DC H2' H 1 2.545 0.00 . 2 . . . . . 16 CYT H2' . 26377 1 166 . 2 . 2 5 5 DC H2'' H 1 2.660 0.00 . 2 . . . . . 16 CYT H2'' . 26377 1 167 . 2 . 2 5 5 DC H3' H 1 5.193 0.00 . 1 . . . . . 16 CYT H3' . 26377 1 168 . 2 . 2 5 5 DC H5 H 1 6.308 0.00 . 1 . . . . . 16 CYT H5 . 26377 1 169 . 2 . 2 5 5 DC H6 H 1 8.084 0.00 . 1 . . . . . 16 CYT H6 . 26377 1 170 . 2 . 2 5 5 DC C1' C 13 85.986 0.00 . 1 . . . . . 16 CYT C1' . 26377 1 171 . 2 . 2 5 5 DC C2' C 13 38.225 0.00 . 1 . . . . . 16 CYT C2' . 26377 1 172 . 2 . 2 5 5 DC C3' C 13 78.974 0.00 . 1 . . . . . 16 CYT C3' . 26377 1 173 . 2 . 2 5 5 DC C5 C 13 96.954 0.00 . 1 . . . . . 16 CYT C5 . 26377 1 174 . 2 . 2 5 5 DC C6 C 13 141.654 0.00 . 1 . . . . . 16 CYT C6 . 26377 1 175 . 2 . 2 6 6 DG H1 H 1 11.077 0.00 . 1 . . . . . 17 GUA H1 . 26377 1 176 . 2 . 2 6 6 DG H1' H 1 5.013 0.00 . 1 . . . . . 17 GUA H1' . 26377 1 177 . 2 . 2 6 6 DG H2' H 1 2.718 0.00 . 2 . . . . . 17 GUA H2' . 26377 1 178 . 2 . 2 6 6 DG H2'' H 1 2.608 0.00 . 2 . . . . . 17 GUA H2'' . 26377 1 179 . 2 . 2 6 6 DG H3' H 1 4.394 0.00 . 1 . . . . . 17 GUA H3' . 26377 1 180 . 2 . 2 6 6 DG H8 H 1 8.071 0.00 . 1 . . . . . 17 GUA H8 . 26377 1 181 . 2 . 2 6 6 DG C2' C 13 37.418 0.00 . 1 . . . . . 17 GUA C2' . 26377 1 182 . 2 . 2 6 6 DG C8 C 13 136.480 0.00 . 1 . . . . . 17 GUA C8 . 26377 1 183 . 2 . 2 6 6 DG N1 N 15 143.393 0.00 . 1 . . . . . 17 GUA N1 . 26377 1 184 . 2 . 2 7 7 DG H1 H 1 12.131 0.00 . 1 . . . . . 18 GUA H1 . 26377 1 185 . 2 . 2 7 7 DG H1' H 1 5.984 0.00 . 1 . . . . . 18 GUA H1' . 26377 1 186 . 2 . 2 7 7 DG H2' H 1 2.806 0.00 . 2 . . . . . 18 GUA H2' . 26377 1 187 . 2 . 2 7 7 DG H2'' H 1 2.756 0.00 . 2 . . . . . 18 GUA H2'' . 26377 1 188 . 2 . 2 7 7 DG H3' H 1 5.061 0.00 . 1 . . . . . 18 GUA H3' . 26377 1 189 . 2 . 2 7 7 DG H8 H 1 8.092 0.00 . 1 . . . . . 18 GUA H8 . 26377 1 190 . 2 . 2 7 7 DG C1' C 13 81.721 0.00 . 1 . . . . . 18 GUA C1' . 26377 1 191 . 2 . 2 7 7 DG C2' C 13 37.736 0.00 . 1 . . . . . 18 GUA C2' . 26377 1 192 . 2 . 2 7 7 DG C3' C 13 76.797 0.00 . 1 . . . . . 18 GUA C3' . 26377 1 193 . 2 . 2 7 7 DG C8 C 13 136.022 0.00 . 1 . . . . . 18 GUA C8 . 26377 1 194 . 2 . 2 7 7 DG N1 N 15 145.175 0.00 . 1 . . . . . 18 GUA N1 . 26377 1 195 . 2 . 2 8 8 DT H1' H 1 6.106 0.00 . 1 . . . . . 19 THY H1' . 26377 1 196 . 2 . 2 8 8 DT H2' H 1 2.136 0.00 . 2 . . . . . 19 THY H2' . 26377 1 197 . 2 . 2 8 8 DT H2'' H 1 2.479 0.00 . 2 . . . . . 19 THY H2'' . 26377 1 198 . 2 . 2 8 8 DT H3 H 1 14.158 0.00 . 1 . . . . . 19 THY H3 . 26377 1 199 . 2 . 2 8 8 DT H6 H 1 7.375 0.00 . 1 . . . . . 19 THY H6 . 26377 1 200 . 2 . 2 8 8 DT H71 H 1 1.254 0.00 . 1 . . . . . 19 THY H71 . 26377 1 201 . 2 . 2 8 8 DT H72 H 1 1.254 0.00 . 1 . . . . . 19 THY H72 . 26377 1 202 . 2 . 2 8 8 DT H73 H 1 1.254 0.00 . 1 . . . . . 19 THY H73 . 26377 1 203 . 2 . 2 8 8 DT C1' C 13 83.218 0.00 . 1 . . . . . 19 THY C1' . 26377 1 204 . 2 . 2 8 8 DT C2' C 13 36.624 0.00 . 1 . . . . . 19 THY C2' . 26377 1 205 . 2 . 2 8 8 DT C6 C 13 135.767 0.00 . 1 . . . . . 19 THY C6 . 26377 1 206 . 2 . 2 8 8 DT C7 C 13 11.351 0.00 . 1 . . . . . 19 THY C7 . 26377 1 207 . 2 . 2 8 8 DT N3 N 15 159.772 0.00 . 1 . . . . . 19 THY N3 . 26377 1 208 . 2 . 2 9 9 DT H1' H 1 5.572 0.00 . 1 . . . . . 20 THY H1' . 26377 1 209 . 2 . 2 9 9 DT H2' H 1 2.110 0.00 . 2 . . . . . 20 THY H2' . 26377 1 210 . 2 . 2 9 9 DT H2'' H 1 2.346 0.00 . 2 . . . . . 20 THY H2'' . 26377 1 211 . 2 . 2 9 9 DT H3 H 1 13.770 0.00 . 1 . . . . . 20 THY H3 . 26377 1 212 . 2 . 2 9 9 DT H3' H 1 4.855 0.01 . 1 . . . . . 20 THY H3' . 26377 1 213 . 2 . 2 9 9 DT H6 H 1 7.443 0.00 . 1 . . . . . 20 THY H6 . 26377 1 214 . 2 . 2 9 9 DT H71 H 1 1.671 0.00 . 1 . . . . . 20 THY H71 . 26377 1 215 . 2 . 2 9 9 DT H72 H 1 1.671 0.00 . 1 . . . . . 20 THY H72 . 26377 1 216 . 2 . 2 9 9 DT H73 H 1 1.671 0.00 . 1 . . . . . 20 THY H73 . 26377 1 217 . 2 . 2 9 9 DT C1' C 13 82.732 0.00 . 1 . . . . . 20 THY C1' . 26377 1 218 . 2 . 2 9 9 DT C2' C 13 36.079 0.00 . 1 . . . . . 20 THY C2' . 26377 1 219 . 2 . 2 9 9 DT C6 C 13 137.204 0.00 . 1 . . . . . 20 THY C6 . 26377 1 220 . 2 . 2 9 9 DT C7 C 13 11.697 0.00 . 1 . . . . . 20 THY C7 . 26377 1 221 . 2 . 2 9 9 DT N3 N 15 159.522 0.00 . 1 . . . . . 20 THY N3 . 26377 1 222 . 2 . 2 10 10 DA H1' H 1 5.990 0.00 . 1 . . . . . 21 ADE H1' . 26377 1 223 . 2 . 2 10 10 DA H2 H 1 7.287 0.00 . 1 . . . . . 21 ADE H2 . 26377 1 224 . 2 . 2 10 10 DA H2' H 1 2.657 0.00 . 2 . . . . . 21 ADE H2' . 26377 1 225 . 2 . 2 10 10 DA H2'' H 1 2.830 0.00 . 2 . . . . . 21 ADE H2'' . 26377 1 226 . 2 . 2 10 10 DA H3' H 1 4.998 0.00 . 1 . . . . . 21 ADE H3' . 26377 1 227 . 2 . 2 10 10 DA H8 H 1 8.179 0.00 . 1 . . . . . 21 ADE H8 . 26377 1 228 . 2 . 2 10 10 DA C1' C 13 82.188 0.00 . 1 . . . . . 21 ADE C1' . 26377 1 229 . 2 . 2 10 10 DA C2 C 13 151.458 0.00 . 1 . . . . . 21 ADE C2 . 26377 1 230 . 2 . 2 10 10 DA C2' C 13 37.591 0.00 . 1 . . . . . 21 ADE C2' . 26377 1 231 . 2 . 2 10 10 DA C8 C 13 139.198 0.00 . 1 . . . . . 21 ADE C8 . 26377 1 232 . 2 . 2 11 11 DG H1' H 1 5.924 0.00 . 1 . . . . . 22 GUA H1' . 26377 1 233 . 2 . 2 11 11 DG H2' H 1 2.360 0.00 . 2 . . . . . 22 GUA H2' . 26377 1 234 . 2 . 2 11 11 DG H2'' H 1 2.216 0.00 . 2 . . . . . 22 GUA H2'' . 26377 1 235 . 2 . 2 11 11 DG H3' H 1 4.583 0.00 . 1 . . . . . 22 GUA H3' . 26377 1 236 . 2 . 2 11 11 DG H8 H 1 7.632 0.00 . 1 . . . . . 22 GUA H8 . 26377 1 237 . 2 . 2 11 11 DG C1' C 13 81.558 0.00 . 1 . . . . . 22 GUA C1' . 26377 1 238 . 2 . 2 11 11 DG C2' C 13 39.889 0.00 . 1 . . . . . 22 GUA C2' . 26377 1 239 . 2 . 2 11 11 DG C3' C 13 73.355 0.00 . 1 . . . . . 22 GUA C3' . 26377 1 240 . 2 . 2 11 11 DG C8 C 13 135.640 0.00 . 1 . . . . . 22 GUA C8 . 26377 1 stop_ save_