data_34587 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34587 _Entry.Title ; deoxyxylose nucleic acid hairpin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-01-04 _Entry.Accession_date 2021-01-04 _Entry.Last_release_date 2021-02-03 _Entry.Original_release_date 2021-02-03 _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 C. Mattelaer C. A. . . 34587 2 M. Mohitosh M. . . . 34587 3 L. Smets L. . . . 34587 4 M. Maiti M. . . . 34587 5 G. Schepers G. . . . 34587 6 H. Mattelaer H. P. . . 34587 7 H. Rosemeyer H. . . . 34587 8 P. Herdewijn P. . . . 34587 9 E. Lescrinier E. . . . 34587 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DNA . 34587 chimeric . 34587 'deoxyxylose nucleic acid' . 34587 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34587 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 85 34587 '1H chemical shifts' 167 34587 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 2 . . 2022-03-24 2021-01-04 update BMRB 'update entry citation' 34587 1 . . 2021-02-05 2021-01-04 original author 'original release' 34587 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7BFS 'BMRB Entry Tracking System' 34587 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34587 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33427360 _Citation.DOI 10.1002/cbic.202000803 _Citation.Full_citation . _Citation.Title ; Stable hairpin structures formed by xylose based nucleic acids. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Chembiochem _Citation.Journal_name_full . _Citation.Journal_volume 22 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1439-7633 _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 1638 _Citation.Page_last 1645 _Citation.Year 2021 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 C. Mattelaer C. A. . . 34587 1 2 M. Maiti M. . . . 34587 1 3 L. Smets L. . . . 34587 1 4 M. Maiti M. . . . 34587 1 5 G. Schepers G. . . . 34587 1 6 H. Mattelaer H. P. . . 34587 1 7 H. Rosemeyer H. . . . 34587 1 8 P. Herdewijn P. . . . 34587 1 9 E. Lescrinier E. . . . 34587 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34587 _Assembly.ID 1 _Assembly.Name "DNA (5'-D(*AP*GP*CP*AP*AP*TP*CP*CP*(XC)P*(XC)P*(XC)P*(XC)P*GP*GP*AP*TP*TP*GP*CP*T)-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 A yes . . . . . . 34587 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34587 _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 A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AGCAATCCXXXXGGATTGCT ; _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 yes _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 20 _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 6062.983 _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 . DA . 34587 1 2 . DG . 34587 1 3 . DC . 34587 1 4 . DA . 34587 1 5 . DA . 34587 1 6 . DT . 34587 1 7 . DC . 34587 1 8 . DC . 34587 1 9 . XC . 34587 1 10 . XC . 34587 1 11 . XC . 34587 1 12 . XC . 34587 1 13 . DG . 34587 1 14 . DG . 34587 1 15 . DA . 34587 1 16 . DT . 34587 1 17 . DT . 34587 1 18 . DG . 34587 1 19 . DC . 34587 1 20 . DT . 34587 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 . DA 1 1 34587 1 . DG 2 2 34587 1 . DC 3 3 34587 1 . DA 4 4 34587 1 . DA 5 5 34587 1 . DT 6 6 34587 1 . DC 7 7 34587 1 . DC 8 8 34587 1 . XC 9 9 34587 1 . XC 10 10 34587 1 . XC 11 11 34587 1 . XC 12 12 34587 1 . DG 13 13 34587 1 . DG 14 14 34587 1 . DA 15 15 34587 1 . DT 16 16 34587 1 . DT 17 17 34587 1 . DG 18 18 34587 1 . DC 19 19 34587 1 . DT 20 20 34587 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 34587 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 34587 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 34587 _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' . . . . . . . . . . . . . . . 'cruciform ColE1' 34587 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34587 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '2.9 mM oligomer, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 oligomer 'natural abundance' . . 1 $entity_1 . . 2.9 . . mM . . . . 34587 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 34587 _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' 0 . M 34587 1 pH 6.6 . pD 34587 1 pressure 1 . atm 34587 1 temperature 283 . K 34587 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34587 _Software.ID 1 _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' . . 34587 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34587 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34587 _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' . . 34587 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34587 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34587 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34587 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34587 3 'peak picking' . 34587 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34587 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 34587 _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 II' . 600 . . . 34587 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 34587 _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 NOESY' no . . . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34587 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 34587 _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 . . . . . 34587 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34587 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 34587 _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 NOESY' . . . 34587 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 DA H1' H 1 5.941 0.020 . . . . . . A 1 DA H1' . 34587 1 2 . 1 . 1 1 1 DA H2' H 1 2.469 0.020 . . . . . . A 1 DA H2' . 34587 1 3 . 1 . 1 1 1 DA H2'' H 1 2.602 0.020 . . . . . . A 1 DA H2'' . 34587 1 4 . 1 . 1 1 1 DA H3' H 1 4.821 0.020 . . . . . . A 1 DA H3' . 34587 1 5 . 1 . 1 1 1 DA H4' H 1 4.182 0.020 . . . . . . A 1 DA H4' . 34587 1 6 . 1 . 1 1 1 DA H5' H 1 3.680 0.020 . . . . . . A 1 DA H5' . 34587 1 7 . 1 . 1 1 1 DA H5'' H 1 3.663 0.020 . . . . . . A 1 DA H5'' . 34587 1 8 . 1 . 1 1 1 DA H8 H 1 8.000 0.020 . . . . . . A 1 DA H8 . 34587 1 9 . 1 . 1 1 1 DA C1' C 13 84.217 0.300 . . . . . . A 1 DA C1' . 34587 1 10 . 1 . 1 1 1 DA C4' C 13 86.686 0.300 . . . . . . A 1 DA C4' . 34587 1 11 . 1 . 1 1 1 DA C5' C 13 61.500 0.300 . . . . . . A 1 DA C5' . 34587 1 12 . 1 . 1 1 1 DA C8 C 13 139.509 0.300 . . . . . . A 1 DA C8 . 34587 1 13 . 1 . 1 2 2 DG H1' H 1 5.779 0.020 . . . . . . A 2 DG H1' . 34587 1 14 . 1 . 1 2 2 DG H2' H 1 2.641 0.020 . . . . . . A 2 DG H2' . 34587 1 15 . 1 . 1 2 2 DG H2'' H 1 2.682 0.020 . . . . . . A 2 DG H2'' . 34587 1 16 . 1 . 1 2 2 DG H3' H 1 4.953 0.020 . . . . . . A 2 DG H3' . 34587 1 17 . 1 . 1 2 2 DG H4' H 1 4.355 0.020 . . . . . . A 2 DG H4' . 34587 1 18 . 1 . 1 2 2 DG H5' H 1 4.364 0.020 . . . . . . A 2 DG H5' . 34587 1 19 . 1 . 1 2 2 DG H5'' H 1 4.172 0.020 . . . . . . A 2 DG H5'' . 34587 1 20 . 1 . 1 2 2 DG H8 H 1 7.858 0.020 . . . . . . A 2 DG H8 . 34587 1 21 . 1 . 1 2 2 DG C1' C 13 81.402 0.300 . . . . . . A 2 DG C1' . 34587 1 22 . 1 . 1 2 2 DG C2' C 13 36.546 0.300 . . . . . . A 2 DG C2' . 34587 1 23 . 1 . 1 2 2 DG C3' C 13 76.366 0.300 . . . . . . A 2 DG C3' . 34587 1 24 . 1 . 1 2 2 DG C4' C 13 84.450 0.300 . . . . . . A 2 DG C4' . 34587 1 25 . 1 . 1 2 2 DG C8 C 13 135.048 0.300 . . . . . . A 2 DG C8 . 34587 1 26 . 1 . 1 3 3 DC H1' H 1 5.505 0.020 . . . . . . A 3 DC H1' . 34587 1 27 . 1 . 1 3 3 DC H2' H 1 1.977 0.020 . . . . . . A 3 DC H2' . 34587 1 28 . 1 . 1 3 3 DC H2'' H 1 2.352 0.020 . . . . . . A 3 DC H2'' . 34587 1 29 . 1 . 1 3 3 DC H3' H 1 4.815 0.020 . . . . . . A 3 DC H3' . 34587 1 30 . 1 . 1 3 3 DC H4' H 1 4.167 0.020 . . . . . . A 3 DC H4' . 34587 1 31 . 1 . 1 3 3 DC H5 H 1 5.355 0.020 . . . . . . A 3 DC H5 . 34587 1 32 . 1 . 1 3 3 DC H6 H 1 7.341 0.020 . . . . . . A 3 DC H6 . 34587 1 33 . 1 . 1 3 3 DC C1' C 13 83.393 0.300 . . . . . . A 3 DC C1' . 34587 1 34 . 1 . 1 3 3 DC C2' C 13 38.625 0.300 . . . . . . A 3 DC C2' . 34587 1 35 . 1 . 1 3 3 DC C3' C 13 76.947 0.300 . . . . . . A 3 DC C3' . 34587 1 36 . 1 . 1 3 3 DC C4' C 13 82.927 0.300 . . . . . . A 3 DC C4' . 34587 1 37 . 1 . 1 3 3 DC C5 C 13 95.465 0.300 . . . . . . A 3 DC C5 . 34587 1 38 . 1 . 1 3 3 DC C6 C 13 139.516 0.300 . . . . . . A 3 DC C6 . 34587 1 39 . 1 . 1 4 4 DA H1' H 1 5.965 0.020 . . . . . . A 4 DA H1' . 34587 1 40 . 1 . 1 4 4 DA H2' H 1 2.790 0.020 . . . . . . A 4 DA H2' . 34587 1 41 . 1 . 1 4 4 DA H2'' H 1 2.939 0.020 . . . . . . A 4 DA H2'' . 34587 1 42 . 1 . 1 4 4 DA H3' H 1 5.061 0.020 . . . . . . A 4 DA H3' . 34587 1 43 . 1 . 1 4 4 DA H4' H 1 4.416 0.020 . . . . . . A 4 DA H4' . 34587 1 44 . 1 . 1 4 4 DA H5' H 1 4.142 0.020 . . . . . . A 4 DA H5' . 34587 1 45 . 1 . 1 4 4 DA H5'' H 1 4.038 0.020 . . . . . . A 4 DA H5'' . 34587 1 46 . 1 . 1 4 4 DA H8 H 1 8.252 0.020 . . . . . . A 4 DA H8 . 34587 1 47 . 1 . 1 4 4 DA C1' C 13 81.734 0.300 . . . . . . A 4 DA C1' . 34587 1 48 . 1 . 1 4 4 DA C2' C 13 37.804 0.300 . . . . . . A 4 DA C2' . 34587 1 49 . 1 . 1 4 4 DA C3' C 13 76.957 0.300 . . . . . . A 4 DA C3' . 34587 1 50 . 1 . 1 4 4 DA C4' C 13 84.683 0.300 . . . . . . A 4 DA C4' . 34587 1 51 . 1 . 1 5 5 DA H1' H 1 6.181 0.020 . . . . . . A 5 DA H1' . 34587 1 52 . 1 . 1 5 5 DA H2' H 1 2.576 0.020 . . . . . . A 5 DA H2' . 34587 1 53 . 1 . 1 5 5 DA H2'' H 1 2.918 0.020 . . . . . . A 5 DA H2'' . 34587 1 54 . 1 . 1 5 5 DA H3' H 1 4.992 0.020 . . . . . . A 5 DA H3' . 34587 1 55 . 1 . 1 5 5 DA H4' H 1 4.475 0.020 . . . . . . A 5 DA H4' . 34587 1 56 . 1 . 1 5 5 DA H5'' H 1 4.259 0.020 . . . . . . A 5 DA H5'' . 34587 1 57 . 1 . 1 5 5 DA H8 H 1 8.194 0.020 . . . . . . A 5 DA H8 . 34587 1 58 . 1 . 1 5 5 DA C1' C 13 81.870 0.300 . . . . . . A 5 DA C1' . 34587 1 59 . 1 . 1 5 5 DA C2' C 13 38.390 0.300 . . . . . . A 5 DA C2' . 34587 1 60 . 1 . 1 5 5 DA C3' C 13 75.545 0.300 . . . . . . A 5 DA C3' . 34587 1 61 . 1 . 1 5 5 DA C4' C 13 84.097 0.300 . . . . . . A 5 DA C4' . 34587 1 62 . 1 . 1 5 5 DA C8 C 13 138.265 0.300 . . . . . . A 5 DA C8 . 34587 1 63 . 1 . 1 6 6 DT H1' H 1 5.881 0.020 . . . . . . A 6 DT H1' . 34587 1 64 . 1 . 1 6 6 DT H2' H 1 2.011 0.020 . . . . . . A 6 DT H2' . 34587 1 65 . 1 . 1 6 6 DT H2'' H 1 2.442 0.020 . . . . . . A 6 DT H2'' . 34587 1 66 . 1 . 1 6 6 DT H3' H 1 4.831 0.020 . . . . . . A 6 DT H3' . 34587 1 67 . 1 . 1 6 6 DT H4' H 1 4.173 0.020 . . . . . . A 6 DT H4' . 34587 1 68 . 1 . 1 6 6 DT H6 H 1 7.127 0.020 . . . . . . A 6 DT H6 . 34587 1 69 . 1 . 1 6 6 DT H71 H 1 1.325 0.020 . . . . . . A 6 DT H7 . 34587 1 70 . 1 . 1 6 6 DT H72 H 1 1.325 0.020 . . . . . . A 6 DT H7 . 34587 1 71 . 1 . 1 6 6 DT H73 H 1 1.325 0.020 . . . . . . A 6 DT H7 . 34587 1 72 . 1 . 1 6 6 DT C1' C 13 82.107 0.300 . . . . . . A 6 DT C1' . 34587 1 73 . 1 . 1 6 6 DT C2' C 13 38.743 0.300 . . . . . . A 6 DT C2' . 34587 1 74 . 1 . 1 6 6 DT C4' C 13 82.217 0.300 . . . . . . A 6 DT C4' . 34587 1 75 . 1 . 1 6 6 DT C6 C 13 135.454 0.300 . . . . . . A 6 DT C6 . 34587 1 76 . 1 . 1 7 7 DC H1' H 1 6.032 0.020 . . . . . . A 7 DC H1' . 34587 1 77 . 1 . 1 7 7 DC H2' H 1 2.118 0.020 . . . . . . A 7 DC H2' . 34587 1 78 . 1 . 1 7 7 DC H2'' H 1 2.333 0.020 . . . . . . A 7 DC H2'' . 34587 1 79 . 1 . 1 7 7 DC H3' H 1 4.811 0.020 . . . . . . A 7 DC H3' . 34587 1 80 . 1 . 1 7 7 DC H4' H 1 4.147 0.020 . . . . . . A 7 DC H4' . 34587 1 81 . 1 . 1 7 7 DC H5 H 1 5.608 0.020 . . . . . . A 7 DC H5 . 34587 1 82 . 1 . 1 7 7 DC H5'' H 1 4.078 0.020 . . . . . . A 7 DC H5'' . 34587 1 83 . 1 . 1 7 7 DC H6 H 1 7.525 0.020 . . . . . . A 7 DC H6 . 34587 1 84 . 1 . 1 7 7 DC C1' C 13 83.535 0.300 . . . . . . A 7 DC C1' . 34587 1 85 . 1 . 1 7 7 DC C2' C 13 36.986 0.300 . . . . . . A 7 DC C2' . 34587 1 86 . 1 . 1 7 7 DC C3' C 13 73.315 0.300 . . . . . . A 7 DC C3' . 34587 1 87 . 1 . 1 7 7 DC C4' C 13 82.691 0.300 . . . . . . A 7 DC C4' . 34587 1 88 . 1 . 1 7 7 DC C5 C 13 95.934 0.300 . . . . . . A 7 DC C5 . 34587 1 89 . 1 . 1 7 7 DC C6 C 13 140.914 0.300 . . . . . . A 7 DC C6 . 34587 1 90 . 1 . 1 8 8 DC H1' H 1 6.127 0.020 . . . . . . A 8 DC H1' . 34587 1 91 . 1 . 1 8 8 DC H2' H 1 2.449 0.020 . . . . . . A 8 DC H2' . 34587 1 92 . 1 . 1 8 8 DC H2'' H 1 2.338 0.020 . . . . . . A 8 DC H2'' . 34587 1 93 . 1 . 1 8 8 DC H3' H 1 4.853 0.020 . . . . . . A 8 DC H3' . 34587 1 94 . 1 . 1 8 8 DC H4' H 1 4.271 0.020 . . . . . . A 8 DC H4' . 34587 1 95 . 1 . 1 8 8 DC H5 H 1 5.834 0.020 . . . . . . A 8 DC H5 . 34587 1 96 . 1 . 1 8 8 DC H5' H 1 4.152 0.020 . . . . . . A 8 DC H5' . 34587 1 97 . 1 . 1 8 8 DC H5'' H 1 4.076 0.020 . . . . . . A 8 DC H5'' . 34587 1 98 . 1 . 1 8 8 DC H6 H 1 7.746 0.020 . . . . . . A 8 DC H6 . 34587 1 99 . 1 . 1 8 8 DC C1' C 13 84.449 0.300 . . . . . . A 8 DC C1' . 34587 1 100 . 1 . 1 8 8 DC C3' C 13 74.268 0.300 . . . . . . A 8 DC C3' . 34587 1 101 . 1 . 1 8 8 DC C4' C 13 83.160 0.300 . . . . . . A 8 DC C4' . 34587 1 102 . 1 . 1 8 8 DC C5 C 13 95.815 0.300 . . . . . . A 8 DC C5 . 34587 1 103 . 1 . 1 8 8 DC C6 C 13 141.234 0.300 . . . . . . A 8 DC C6 . 34587 1 104 . 1 . 1 9 9 XC H1' H 1 5.952 0.020 . . . . . . A 9 XC H1' . 34587 1 105 . 1 . 1 9 9 XC H2' H 1 2.590 0.020 . . . . . . A 9 XC H2' . 34587 1 106 . 1 . 1 9 9 XC H2'' H 1 2.282 0.020 . . . . . . A 9 XC H2'' . 34587 1 107 . 1 . 1 9 9 XC H3' H 1 4.764 0.020 . . . . . . A 9 XC H3' . 34587 1 108 . 1 . 1 9 9 XC H4' H 1 4.354 0.020 . . . . . . A 9 XC H4' . 34587 1 109 . 1 . 1 9 9 XC H5 H 1 5.836 0.020 . . . . . . A 9 XC H5 . 34587 1 110 . 1 . 1 9 9 XC H6 H 1 7.809 0.020 . . . . . . A 9 XC H6 . 34587 1 111 . 1 . 1 9 9 XC C1' C 13 86.677 0.300 . . . . . . A 9 XC C1' . 34587 1 112 . 1 . 1 9 9 XC C4' C 13 83.516 0.300 . . . . . . A 9 XC C4' . 34587 1 113 . 1 . 1 10 10 XC H1' H 1 5.988 0.020 . . . . . . A 10 XC H1' . 34587 1 114 . 1 . 1 10 10 XC H2' H 1 2.138 0.020 . . . . . . A 10 XC H2' . 34587 1 115 . 1 . 1 10 10 XC H2'' H 1 2.568 0.020 . . . . . . A 10 XC H2'' . 34587 1 116 . 1 . 1 10 10 XC H3' H 1 4.643 0.020 . . . . . . A 10 XC H3' . 34587 1 117 . 1 . 1 10 10 XC H4' H 1 3.995 0.020 . . . . . . A 10 XC H4' . 34587 1 118 . 1 . 1 10 10 XC H5 H 1 5.862 0.020 . . . . . . A 10 XC H5 . 34587 1 119 . 1 . 1 10 10 XC H5' H 1 4.005 0.020 . . . . . . A 10 XC H5' . 34587 1 120 . 1 . 1 10 10 XC H5'' H 1 3.829 0.020 . . . . . . A 10 XC H5'' . 34587 1 121 . 1 . 1 10 10 XC H6 H 1 7.613 0.020 . . . . . . A 10 XC H6 . 34587 1 122 . 1 . 1 10 10 XC C1' C 13 85.151 0.300 . . . . . . A 10 XC C1' . 34587 1 123 . 1 . 1 10 10 XC C4' C 13 82.221 0.300 . . . . . . A 10 XC C4' . 34587 1 124 . 1 . 1 10 10 XC C5' C 13 63.700 0.300 . . . . . . A 10 XC C5' . 34587 1 125 . 1 . 1 11 11 XC H1' H 1 5.817 0.020 . . . . . . A 11 XC H1' . 34587 1 126 . 1 . 1 11 11 XC H2' H 1 2.440 0.020 . . . . . . A 11 XC H2' . 34587 1 127 . 1 . 1 11 11 XC H2'' H 1 2.156 0.020 . . . . . . A 11 XC H2'' . 34587 1 128 . 1 . 1 11 11 XC H3' H 1 4.650 0.020 . . . . . . A 11 XC H3' . 34587 1 129 . 1 . 1 11 11 XC H4' H 1 4.109 0.020 . . . . . . A 11 XC H4' . 34587 1 130 . 1 . 1 11 11 XC H5 H 1 5.990 0.020 . . . . . . A 11 XC H5 . 34587 1 131 . 1 . 1 11 11 XC H5' H 1 4.000 0.020 . . . . . . A 11 XC H5' . 34587 1 132 . 1 . 1 11 11 XC H6 H 1 7.622 0.020 . . . . . . A 11 XC H6 . 34587 1 133 . 1 . 1 11 11 XC C1' C 13 86.444 0.300 . . . . . . A 11 XC C1' . 34587 1 134 . 1 . 1 11 11 XC C4' C 13 83.282 0.300 . . . . . . A 11 XC C4' . 34587 1 135 . 1 . 1 12 12 XC H1' H 1 5.990 0.020 . . . . . . A 12 XC H1' . 34587 1 136 . 1 . 1 12 12 XC H2' H 1 2.362 0.020 . . . . . . A 12 XC H2' . 34587 1 137 . 1 . 1 12 12 XC H2'' H 1 2.584 0.020 . . . . . . A 12 XC H2'' . 34587 1 138 . 1 . 1 12 12 XC H3' H 1 4.629 0.020 . . . . . . A 12 XC H3' . 34587 1 139 . 1 . 1 12 12 XC H4' H 1 4.031 0.020 . . . . . . A 12 XC H4' . 34587 1 140 . 1 . 1 12 12 XC H5 H 1 5.878 0.020 . . . . . . A 12 XC H5 . 34587 1 141 . 1 . 1 12 12 XC H5' H 1 3.927 0.020 . . . . . . A 12 XC H5' . 34587 1 142 . 1 . 1 12 12 XC H5'' H 1 3.630 0.020 . . . . . . A 12 XC H5'' . 34587 1 143 . 1 . 1 12 12 XC H6 H 1 7.667 0.020 . . . . . . A 12 XC H6 . 34587 1 144 . 1 . 1 12 12 XC C1' C 13 85.607 0.300 . . . . . . A 12 XC C1' . 34587 1 145 . 1 . 1 12 12 XC C4' C 13 82.458 0.300 . . . . . . A 12 XC C4' . 34587 1 146 . 1 . 1 12 12 XC C5' C 13 64.220 0.300 . . . . . . A 12 XC C5' . 34587 1 147 . 1 . 1 13 13 DG H1' H 1 5.430 0.020 . . . . . . A 13 DG H1' . 34587 1 148 . 1 . 1 13 13 DG H2' H 1 2.592 0.020 . . . . . . A 13 DG H2' . 34587 1 149 . 1 . 1 13 13 DG H2'' H 1 2.714 0.020 . . . . . . A 13 DG H2'' . 34587 1 150 . 1 . 1 13 13 DG H3' H 1 4.831 0.020 . . . . . . A 13 DG H3' . 34587 1 151 . 1 . 1 13 13 DG H4' H 1 4.129 0.020 . . . . . . A 13 DG H4' . 34587 1 152 . 1 . 1 13 13 DG H5' H 1 3.854 0.020 . . . . . . A 13 DG H5' . 34587 1 153 . 1 . 1 13 13 DG H5'' H 1 3.707 0.020 . . . . . . A 13 DG H5'' . 34587 1 154 . 1 . 1 13 13 DG H8 H 1 7.887 0.020 . . . . . . A 13 DG H8 . 34587 1 155 . 1 . 1 13 13 DG C1' C 13 81.874 0.300 . . . . . . A 13 DG C1' . 34587 1 156 . 1 . 1 13 13 DG C4' C 13 84.572 0.300 . . . . . . A 13 DG C4' . 34587 1 157 . 1 . 1 13 13 DG C5' C 13 65.292 0.300 . . . . . . A 13 DG C5' . 34587 1 158 . 1 . 1 14 14 DG H1' H 1 5.678 0.020 . . . . . . A 14 DG H1' . 34587 1 159 . 1 . 1 14 14 DG H2' H 1 2.729 0.020 . . . . . . A 14 DG H2' . 34587 1 160 . 1 . 1 14 14 DG H2'' H 1 2.827 0.020 . . . . . . A 14 DG H2'' . 34587 1 161 . 1 . 1 14 14 DG H3' H 1 5.038 0.020 . . . . . . A 14 DG H3' . 34587 1 162 . 1 . 1 14 14 DG H4' H 1 4.435 0.020 . . . . . . A 14 DG H4' . 34587 1 163 . 1 . 1 14 14 DG H5' H 1 4.442 0.020 . . . . . . A 14 DG H5' . 34587 1 164 . 1 . 1 14 14 DG H5'' H 1 4.098 0.020 . . . . . . A 14 DG H5'' . 34587 1 165 . 1 . 1 14 14 DG H8 H 1 7.868 0.020 . . . . . . A 14 DG H8 . 34587 1 166 . 1 . 1 14 14 DG C1' C 13 81.098 0.300 . . . . . . A 14 DG C1' . 34587 1 167 . 1 . 1 14 14 DG C2' C 13 37.455 0.300 . . . . . . A 14 DG C2' . 34587 1 168 . 1 . 1 14 14 DG C4' C 13 84.492 0.300 . . . . . . A 14 DG C4' . 34587 1 169 . 1 . 1 15 15 DA H1' H 1 6.300 0.020 . . . . . . A 15 DA H1' . 34587 1 170 . 1 . 1 15 15 DA H2' H 1 2.705 0.020 . . . . . . A 15 DA H2' . 34587 1 171 . 1 . 1 15 15 DA H2'' H 1 2.976 0.020 . . . . . . A 15 DA H2'' . 34587 1 172 . 1 . 1 15 15 DA H3' H 1 5.041 0.020 . . . . . . A 15 DA H3' . 34587 1 173 . 1 . 1 15 15 DA H4' H 1 4.510 0.020 . . . . . . A 15 DA H4' . 34587 1 174 . 1 . 1 15 15 DA H5' H 1 4.516 0.020 . . . . . . A 15 DA H5' . 34587 1 175 . 1 . 1 15 15 DA H5'' H 1 4.251 0.020 . . . . . . A 15 DA H5'' . 34587 1 176 . 1 . 1 15 15 DA H8 H 1 8.259 0.020 . . . . . . A 15 DA H8 . 34587 1 177 . 1 . 1 15 15 DA C1' C 13 82.106 0.300 . . . . . . A 15 DA C1' . 34587 1 178 . 1 . 1 15 15 DA C2' C 13 38.509 0.300 . . . . . . A 15 DA C2' . 34587 1 179 . 1 . 1 15 15 DA C4' C 13 84.713 0.300 . . . . . . A 15 DA C4' . 34587 1 180 . 1 . 1 15 15 DA C8 C 13 138.578 0.300 . . . . . . A 15 DA C8 . 34587 1 181 . 1 . 1 16 16 DT H1' H 1 5.950 0.020 . . . . . . A 16 DT H1' . 34587 1 182 . 1 . 1 16 16 DT H2' H 1 2.000 0.020 . . . . . . A 16 DT H2' . 34587 1 183 . 1 . 1 16 16 DT H2'' H 1 2.559 0.020 . . . . . . A 16 DT H2'' . 34587 1 184 . 1 . 1 16 16 DT H3' H 1 4.840 0.020 . . . . . . A 16 DT H3' . 34587 1 185 . 1 . 1 16 16 DT H4' H 1 4.212 0.020 . . . . . . A 16 DT H4' . 34587 1 186 . 1 . 1 16 16 DT H5' H 1 4.180 0.020 . . . . . . A 16 DT H5' . 34587 1 187 . 1 . 1 16 16 DT H5'' H 1 4.154 0.020 . . . . . . A 16 DT H5'' . 34587 1 188 . 1 . 1 16 16 DT H6 H 1 7.195 0.020 . . . . . . A 16 DT H6 . 34587 1 189 . 1 . 1 16 16 DT H71 H 1 1.321 0.020 . . . . . . A 16 DT H7 . 34587 1 190 . 1 . 1 16 16 DT H72 H 1 1.321 0.020 . . . . . . A 16 DT H7 . 34587 1 191 . 1 . 1 16 16 DT H73 H 1 1.321 0.020 . . . . . . A 16 DT H7 . 34587 1 192 . 1 . 1 16 16 DT C1' C 13 82.213 0.300 . . . . . . A 16 DT C1' . 34587 1 193 . 1 . 1 16 16 DT C2' C 13 36.166 0.300 . . . . . . A 16 DT C2' . 34587 1 194 . 1 . 1 16 16 DT C3' C 13 76.243 0.300 . . . . . . A 16 DT C3' . 34587 1 195 . 1 . 1 16 16 DT C4' C 13 82.840 0.300 . . . . . . A 16 DT C4' . 34587 1 196 . 1 . 1 16 16 DT C6 C 13 135.600 0.300 . . . . . . A 16 DT C6 . 34587 1 197 . 1 . 1 17 17 DT H1' H 1 5.872 0.020 . . . . . . A 17 DT H1' . 34587 1 198 . 1 . 1 17 17 DT H2' H 1 2.110 0.020 . . . . . . A 17 DT H2' . 34587 1 199 . 1 . 1 17 17 DT H2'' H 1 2.468 0.020 . . . . . . A 17 DT H2'' . 34587 1 200 . 1 . 1 17 17 DT H3' H 1 4.892 0.020 . . . . . . A 17 DT H3' . 34587 1 201 . 1 . 1 17 17 DT H4' H 1 4.152 0.020 . . . . . . A 17 DT H4' . 34587 1 202 . 1 . 1 17 17 DT H6 H 1 7.302 0.020 . . . . . . A 17 DT H6 . 34587 1 203 . 1 . 1 17 17 DT H71 H 1 1.590 0.020 . . . . . . A 17 DT H7 . 34587 1 204 . 1 . 1 17 17 DT H72 H 1 1.590 0.020 . . . . . . A 17 DT H7 . 34587 1 205 . 1 . 1 17 17 DT H73 H 1 1.590 0.020 . . . . . . A 17 DT H7 . 34587 1 206 . 1 . 1 17 17 DT C1' C 13 82.329 0.300 . . . . . . A 17 DT C1' . 34587 1 207 . 1 . 1 17 17 DT C2' C 13 36.280 0.300 . . . . . . A 17 DT C2' . 34587 1 208 . 1 . 1 17 17 DT C3' C 13 74.724 0.300 . . . . . . A 17 DT C3' . 34587 1 209 . 1 . 1 17 17 DT C4' C 13 82.608 0.300 . . . . . . A 17 DT C4' . 34587 1 210 . 1 . 1 17 17 DT C6 C 13 136.702 0.300 . . . . . . A 17 DT C6 . 34587 1 211 . 1 . 1 18 18 DG H1' H 1 5.838 0.020 . . . . . . A 18 DG H1' . 34587 1 212 . 1 . 1 18 18 DG H2' H 1 2.642 0.020 . . . . . . A 18 DG H2' . 34587 1 213 . 1 . 1 18 18 DG H2'' H 1 2.677 0.020 . . . . . . A 18 DG H2'' . 34587 1 214 . 1 . 1 18 18 DG H3' H 1 4.982 0.020 . . . . . . A 18 DG H3' . 34587 1 215 . 1 . 1 18 18 DG H4' H 1 4.381 0.020 . . . . . . A 18 DG H4' . 34587 1 216 . 1 . 1 18 18 DG H5' H 1 4.387 0.020 . . . . . . A 18 DG H5' . 34587 1 217 . 1 . 1 18 18 DG H5'' H 1 4.110 0.020 . . . . . . A 18 DG H5'' . 34587 1 218 . 1 . 1 18 18 DG H8 H 1 7.895 0.020 . . . . . . A 18 DG H8 . 34587 1 219 . 1 . 1 18 18 DG C1' C 13 81.380 0.300 . . . . . . A 18 DG C1' . 34587 1 220 . 1 . 1 18 18 DG C2' C 13 37.572 0.300 . . . . . . A 18 DG C2' . 34587 1 221 . 1 . 1 18 18 DG C3' C 13 75.952 0.300 . . . . . . A 18 DG C3' . 34587 1 222 . 1 . 1 18 18 DG C4' C 13 84.073 0.300 . . . . . . A 18 DG C4' . 34587 1 223 . 1 . 1 18 18 DG C8 C 13 135.298 0.300 . . . . . . A 18 DG C8 . 34587 1 224 . 1 . 1 19 19 DC H1' H 1 6.083 0.020 . . . . . . A 19 DC H1' . 34587 1 225 . 1 . 1 19 19 DC H2' H 1 2.241 0.020 . . . . . . A 19 DC H2' . 34587 1 226 . 1 . 1 19 19 DC H2'' H 1 2.472 0.020 . . . . . . A 19 DC H2'' . 34587 1 227 . 1 . 1 19 19 DC H3' H 1 4.751 0.020 . . . . . . A 19 DC H3' . 34587 1 228 . 1 . 1 19 19 DC H4' H 1 4.219 0.020 . . . . . . A 19 DC H4' . 34587 1 229 . 1 . 1 19 19 DC H5 H 1 5.433 0.020 . . . . . . A 19 DC H5 . 34587 1 230 . 1 . 1 19 19 DC H6 H 1 7.497 0.020 . . . . . . A 19 DC H6 . 34587 1 231 . 1 . 1 19 19 DC C1' C 13 83.745 0.300 . . . . . . A 19 DC C1' . 34587 1 232 . 1 . 1 19 19 DC C2' C 13 37.455 0.300 . . . . . . A 19 DC C2' . 34587 1 233 . 1 . 1 19 19 DC C3' C 13 72.964 0.300 . . . . . . A 19 DC C3' . 34587 1 234 . 1 . 1 19 19 DC C4' C 13 82.501 0.300 . . . . . . A 19 DC C4' . 34587 1 235 . 1 . 1 19 19 DC C5 C 13 95.464 0.300 . . . . . . A 19 DC C5 . 34587 1 236 . 1 . 1 19 19 DC C6 C 13 139.828 0.300 . . . . . . A 19 DC C6 . 34587 1 237 . 1 . 1 20 20 DT H1' H 1 6.239 0.020 . . . . . . A 20 DT H1' . 34587 1 238 . 1 . 1 20 20 DT H2' H 1 2.268 0.020 . . . . . . A 20 DT H2' . 34587 1 239 . 1 . 1 20 20 DT H2'' H 1 2.470 0.020 . . . . . . A 20 DT H2'' . 34587 1 240 . 1 . 1 20 20 DT H3' H 1 4.550 0.020 . . . . . . A 20 DT H3' . 34587 1 241 . 1 . 1 20 20 DT H4' H 1 4.054 0.020 . . . . . . A 20 DT H4' . 34587 1 242 . 1 . 1 20 20 DT H5' H 1 4.152 0.020 . . . . . . A 20 DT H5' . 34587 1 243 . 1 . 1 20 20 DT H5'' H 1 4.061 0.020 . . . . . . A 20 DT H5'' . 34587 1 244 . 1 . 1 20 20 DT H6 H 1 7.579 0.020 . . . . . . A 20 DT H6 . 34587 1 245 . 1 . 1 20 20 DT H71 H 1 1.727 0.020 . . . . . . A 20 DT H7 . 34587 1 246 . 1 . 1 20 20 DT H72 H 1 1.727 0.020 . . . . . . A 20 DT H7 . 34587 1 247 . 1 . 1 20 20 DT H73 H 1 1.727 0.020 . . . . . . A 20 DT H7 . 34587 1 248 . 1 . 1 20 20 DT C1' C 13 83.745 0.300 . . . . . . A 20 DT C1' . 34587 1 249 . 1 . 1 20 20 DT C2' C 13 38.447 0.300 . . . . . . A 20 DT C2' . 34587 1 250 . 1 . 1 20 20 DT C3' C 13 69.437 0.300 . . . . . . A 20 DT C3' . 34587 1 251 . 1 . 1 20 20 DT C4' C 13 84.274 0.300 . . . . . . A 20 DT C4' . 34587 1 252 . 1 . 1 20 20 DT C6 C 13 137.327 0.300 . . . . . . A 20 DT C6 . 34587 1 stop_ save_