data_34876 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34876 _Entry.Title ; Hybrid-1R G-quadruplex with a +(lpp) loop progression ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-11-13 _Entry.Accession_date 2023-11-13 _Entry.Last_release_date 2023-12-19 _Entry.Original_release_date 2023-12-19 _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. Jana J. . . . 34876 2 Y. Vianney Y. M. . . 34876 3 K. Weisz K. . . . 34876 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID '(3+1) hybrid topology' . 34876 DNA . 34876 G-quadruplex . 34876 'quadruplex-duplex hybrid' . 34876 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34876 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 29 34876 '1H chemical shifts' 178 34876 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 . . 2024-02-12 2023-11-13 update BMRB 'update entry citation' 34876 1 . . 2023-12-26 2023-11-13 original author 'original release' 34876 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8R4E 'BMRB Entry Tracking System' 34876 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34876 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38131370 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Impact of loop length and duplex extensions on the design of hybrid-type G-quadruplexes ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Chem. Commun. (Camb)' _Citation.Journal_name_full 'Chemical communications (Cambridge, England)' _Citation.Journal_volume 60 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1364-548X _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 854 _Citation.Page_last 857 _Citation.Year 2024 _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. Jagannath J. . . . 34876 1 2 Y. Vianney Y. M. . . 34876 1 3 K. Weisz K. . . . 34876 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34876 _Assembly.ID 1 _Assembly.Name 'DNA (27-MER)' _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 . . . . . . 34876 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34876 _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 ; GCGTGGGTCAGGGTTGGGTT GGGACGC ; _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 27 _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 8501.428 _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 . DG . 34876 1 2 . DC . 34876 1 3 . DG . 34876 1 4 . DT . 34876 1 5 . DG . 34876 1 6 . DG . 34876 1 7 . DG . 34876 1 8 . DT . 34876 1 9 . DC . 34876 1 10 . DA . 34876 1 11 . DG . 34876 1 12 . DG . 34876 1 13 . DG . 34876 1 14 . DT . 34876 1 15 . DT . 34876 1 16 . DG . 34876 1 17 . DG . 34876 1 18 . DG . 34876 1 19 . DT . 34876 1 20 . DT . 34876 1 21 . DG . 34876 1 22 . DG . 34876 1 23 . DG . 34876 1 24 . DA . 34876 1 25 . DC . 34876 1 26 . DG . 34876 1 27 . DC . 34876 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . DG 1 1 34876 1 . DC 2 2 34876 1 . DG 3 3 34876 1 . DT 4 4 34876 1 . DG 5 5 34876 1 . DG 6 6 34876 1 . DG 7 7 34876 1 . DT 8 8 34876 1 . DC 9 9 34876 1 . DA 10 10 34876 1 . DG 11 11 34876 1 . DG 12 12 34876 1 . DG 13 13 34876 1 . DT 14 14 34876 1 . DT 15 15 34876 1 . DG 16 16 34876 1 . DG 17 17 34876 1 . DG 18 18 34876 1 . DT 19 19 34876 1 . DT 20 20 34876 1 . DG 21 21 34876 1 . DG 22 22 34876 1 . DG 23 23 34876 1 . DA 24 24 34876 1 . DC 25 25 34876 1 . DG 26 26 34876 1 . DC 27 27 34876 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 34876 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 32630 'no natural source' . 'synthetic construct' . . . . . synthetic construct . . . . . . . . . . . . . 34876 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 34876 _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' . . . . . . . . . . . . . . . . 34876 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34876 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.3 mM DNA (27-MER), 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 (27-MER)' 'natural abundance' 1 $assembly 1 $entity_1 . . 0.3 . . mM . . . . 34876 1 2 'potassium phosphate buffer' 'natural abundance' . . . . . . 10 . . mM . . . . 34876 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 34876 _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 34876 1 pH 7.0 . pH 34876 1 pressure 1 . atm 34876 1 temperature 303 . K 34876 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34876 _Software.ID 1 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34876 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34876 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34876 _Software.ID 2 _Software.Type . _Software.Name Amber _Software.Version 18 _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' . . 34876 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34876 2 'structure calculation' . 34876 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34876 _Software.ID 3 _Software.Type . _Software.Name TopSpin _Software.Version 4.0.7 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34876 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 34876 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 34876 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _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 34876 _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 NEO' . 600 . . . 34876 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 34876 _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 . . . . . . . . . . . . . . . . . 34876 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34876 1 3 '2D DQF-COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34876 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 34876 _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 protons . . . . ppm 4.73 internal indirect 0.25144953 . . . . . 34876 1 H 1 water protons . . . . ppm 4.73 internal direct 1 . . . . . 34876 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 34876 _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' . . . 34876 1 2 '2D 1H-13C HSQC' . . . 34876 1 3 '2D DQF-COSY' . . . 34876 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 DG H1' H 1 5.882 0.003 . 1 . . 126 . A 1 DG H1' . 34876 1 2 . 1 . 1 1 1 DG H2' H 1 2.469 0.004 . 1 . . 127 . A 1 DG H2' . 34876 1 3 . 1 . 1 1 1 DG H2'' H 1 2.650 0.003 . 1 . . 128 . A 1 DG H2'' . 34876 1 4 . 1 . 1 1 1 DG H3' H 1 4.750 0.002 . 1 . . 179 . A 1 DG H3' . 34876 1 5 . 1 . 1 1 1 DG H8 H 1 7.860 0.003 . 1 . . 125 . A 1 DG H8 . 34876 1 6 . 1 . 1 1 1 DG C8 C 13 138.799 . . 1 . . 129 . A 1 DG C8 . 34876 1 7 . 1 . 1 2 2 DC H1' H 1 5.534 0.003 . 1 . . 6 . A 2 DC H1' . 34876 1 8 . 1 . 1 2 2 DC H2' H 1 1.888 0.002 . 1 . . 64 . A 2 DC H2' . 34876 1 9 . 1 . 1 2 2 DC H2'' H 1 2.216 0.004 . 1 . . 65 . A 2 DC H2'' . 34876 1 10 . 1 . 1 2 2 DC H3' H 1 4.690 0.001 . 1 . . 147 . A 2 DC H3' . 34876 1 11 . 1 . 1 2 2 DC H5 H 1 5.272 0.002 . 1 . . 141 . A 2 DC H5 . 34876 1 12 . 1 . 1 2 2 DC H6 H 1 7.234 0.004 . 1 . . 5 . A 2 DC H6 . 34876 1 13 . 1 . 1 2 2 DC H41 H 1 8.279 0.001 . 1 . . 142 . A 2 DC H41 . 34876 1 14 . 1 . 1 2 2 DC H42 H 1 6.396 0.001 . 1 . . 149 . A 2 DC H42 . 34876 1 15 . 1 . 1 2 2 DC C6 C 13 142.939 . . 1 . . 7 . A 2 DC C6 . 34876 1 16 . 1 . 1 3 3 DG H1 H 1 12.792 0.001 . 1 . . 96 . A 3 DG H1 . 34876 1 17 . 1 . 1 3 3 DG H1' H 1 5.857 0.003 . 1 . . 9 . A 3 DG H1' . 34876 1 18 . 1 . 1 3 3 DG H2' H 1 2.285 0.002 . 1 . . 66 . A 3 DG H2' . 34876 1 19 . 1 . 1 3 3 DG H2'' H 1 2.492 0.001 . 1 . . 67 . A 3 DG H2'' . 34876 1 20 . 1 . 1 3 3 DG H3' H 1 4.804 0.0 . 1 . . 68 . A 3 DG H3' . 34876 1 21 . 1 . 1 3 3 DG H8 H 1 7.657 0.002 . 1 . . 8 . A 3 DG H8 . 34876 1 22 . 1 . 1 3 3 DG C8 C 13 138.407 . . 1 . . 10 . A 3 DG C8 . 34876 1 23 . 1 . 1 4 4 DT H1' H 1 5.778 0.002 . 1 . . 2 . A 4 DT H1' . 34876 1 24 . 1 . 1 4 4 DT H2' H 1 1.896 0.002 . 1 . . 69 . A 4 DT H2' . 34876 1 25 . 1 . 1 4 4 DT H2'' H 1 2.738 0.003 . 1 . . 70 . A 4 DT H2'' . 34876 1 26 . 1 . 1 4 4 DT H3 H 1 13.392 0.001 . 1 . . 24 . A 4 DT H3 . 34876 1 27 . 1 . 1 4 4 DT H3' H 1 4.736 0.004 . 1 . . 180 . A 4 DT H3' . 34876 1 28 . 1 . 1 4 4 DT H6 H 1 6.850 0.001 . 1 . . 1 . A 4 DT H6 . 34876 1 29 . 1 . 1 4 4 DT H71 H 1 0.974 0.002 . 1 . . 138 . A 4 DT H71 . 34876 1 30 . 1 . 1 4 4 DT H72 H 1 0.974 0.002 . 1 . . 138 . A 4 DT H72 . 34876 1 31 . 1 . 1 4 4 DT H73 H 1 0.974 0.002 . 1 . . 138 . A 4 DT H73 . 34876 1 32 . 1 . 1 4 4 DT C6 C 13 137.756 . . 1 . . 3 . A 4 DT C6 . 34876 1 33 . 1 . 1 5 5 DG H1 H 1 10.941 0.002 . 1 . . 59 . A 5 DG H1 . 34876 1 34 . 1 . 1 5 5 DG H1' H 1 5.915 0.002 . 1 . . 12 . A 5 DG H1' . 34876 1 35 . 1 . 1 5 5 DG H2' H 1 3.065 0.001 . 1 . . 145 . A 5 DG H2' . 34876 1 36 . 1 . 1 5 5 DG H2'' H 1 2.739 0.005 . 1 . . 144 . A 5 DG H2'' . 34876 1 37 . 1 . 1 5 5 DG H3' H 1 4.878 0.0 . 1 . . 148 . A 5 DG H3' . 34876 1 38 . 1 . 1 5 5 DG H8 H 1 7.220 0.001 . 1 . . 11 . A 5 DG H8 . 34876 1 39 . 1 . 1 5 5 DG C8 C 13 141.865 . . 1 . . 13 . A 5 DG C8 . 34876 1 40 . 1 . 1 6 6 DG H1 H 1 11.194 0.001 . 1 . . 58 . A 6 DG H1 . 34876 1 41 . 1 . 1 6 6 DG H1' H 1 5.642 0.002 . 1 . . 15 . A 6 DG H1' . 34876 1 42 . 1 . 1 6 6 DG H2' H 1 2.634 0.001 . 1 . . 73 . A 6 DG H2' . 34876 1 43 . 1 . 1 6 6 DG H2'' H 1 2.462 0.002 . 1 . . 72 . A 6 DG H2'' . 34876 1 44 . 1 . 1 6 6 DG H3' H 1 4.931 0.002 . 1 . . 74 . A 6 DG H3' . 34876 1 45 . 1 . 1 6 6 DG H8 H 1 7.101 0.001 . 1 . . 14 . A 6 DG H8 . 34876 1 46 . 1 . 1 6 6 DG C8 C 13 140.748 . . 1 . . 16 . A 6 DG C8 . 34876 1 47 . 1 . 1 7 7 DG H1 H 1 11.339 0.001 . 1 . . 40 . A 7 DG H1 . 34876 1 48 . 1 . 1 7 7 DG H1' H 1 5.943 0.002 . 1 . . 18 . A 7 DG H1' . 34876 1 49 . 1 . 1 7 7 DG H2' H 1 2.576 0.003 . 1 . . 77 . A 7 DG H2' . 34876 1 50 . 1 . 1 7 7 DG H2'' H 1 2.539 0.002 . 1 . . 76 . A 7 DG H2'' . 34876 1 51 . 1 . 1 7 7 DG H3' H 1 5.063 0.003 . 1 . . 75 . A 7 DG H3' . 34876 1 52 . 1 . 1 7 7 DG H8 H 1 7.695 0.001 . 1 . . 17 . A 7 DG H8 . 34876 1 53 . 1 . 1 7 7 DG C8 C 13 137.887 . . 1 . . 19 . A 7 DG C8 . 34876 1 54 . 1 . 1 8 8 DT H1' H 1 6.263 0.002 . 1 . . 160 . A 8 DT H1' . 34876 1 55 . 1 . 1 8 8 DT H2' H 1 2.303 0.002 . 1 . . 161 . A 8 DT H2' . 34876 1 56 . 1 . 1 8 8 DT H2'' H 1 2.504 0.002 . 1 . . 192 . A 8 DT H2'' . 34876 1 57 . 1 . 1 8 8 DT H3' H 1 4.814 0.002 . 1 . . 181 . A 8 DT H3' . 34876 1 58 . 1 . 1 8 8 DT H6 H 1 7.781 0.001 . 1 . . 158 . A 8 DT H6 . 34876 1 59 . 1 . 1 8 8 DT H71 H 1 1.927 0.002 . 1 . . 159 . A 8 DT H71 . 34876 1 60 . 1 . 1 8 8 DT H72 H 1 1.927 0.002 . 1 . . 159 . A 8 DT H72 . 34876 1 61 . 1 . 1 8 8 DT H73 H 1 1.927 0.002 . 1 . . 159 . A 8 DT H73 . 34876 1 62 . 1 . 1 8 8 DT C6 C 13 139.967 . . 1 . . 162 . A 8 DT C6 . 34876 1 63 . 1 . 1 9 9 DC H1' H 1 5.836 0.003 . 1 . . 104 . A 9 DC H1' . 34876 1 64 . 1 . 1 9 9 DC H2' H 1 1.015 0.004 . 1 . . 106 . A 9 DC H2' . 34876 1 65 . 1 . 1 9 9 DC H2'' H 1 1.849 0.003 . 1 . . 107 . A 9 DC H2'' . 34876 1 66 . 1 . 1 9 9 DC H3' H 1 4.520 0.001 . 1 . . 143 . A 9 DC H3' . 34876 1 67 . 1 . 1 9 9 DC H5 H 1 5.630 0.0 . 1 . . 153 . A 9 DC H5 . 34876 1 68 . 1 . 1 9 9 DC H6 H 1 7.229 0.001 . 1 . . 103 . A 9 DC H6 . 34876 1 69 . 1 . 1 9 9 DC C6 C 13 142.754 . . 1 . . 105 . A 9 DC C6 . 34876 1 70 . 1 . 1 10 10 DA H1' H 1 5.874 0.004 . 1 . . 36 . A 10 DA H1' . 34876 1 71 . 1 . 1 10 10 DA H2 H 1 7.689 0.003 . 1 . . 37 . A 10 DA H2 . 34876 1 72 . 1 . 1 10 10 DA H2' H 1 2.726 0.001 . 1 . . 109 . A 10 DA H2' . 34876 1 73 . 1 . 1 10 10 DA H2'' H 1 2.668 0.005 . 1 . . 108 . A 10 DA H2'' . 34876 1 74 . 1 . 1 10 10 DA H3' H 1 4.918 0.0 . 1 . . 117 . A 10 DA H3' . 34876 1 75 . 1 . 1 10 10 DA H8 H 1 7.940 0.002 . 1 . . 35 . A 10 DA H8 . 34876 1 76 . 1 . 1 10 10 DA C2 C 13 155.263 . . 1 . . 38 . A 10 DA C2 . 34876 1 77 . 1 . 1 10 10 DA C8 C 13 141.266 . . 1 . . 39 . A 10 DA C8 . 34876 1 78 . 1 . 1 11 11 DG H1 H 1 11.067 0.001 . 1 . . 51 . A 11 DG H1 . 34876 1 79 . 1 . 1 11 11 DG H1' H 1 6.066 0.003 . 1 . . 46 . A 11 DG H1' . 34876 1 80 . 1 . 1 11 11 DG H2' H 1 3.364 0.001 . 1 . . 115 . A 11 DG H2' . 34876 1 81 . 1 . 1 11 11 DG H2'' H 1 2.970 0.002 . 1 . . 114 . A 11 DG H2'' . 34876 1 82 . 1 . 1 11 11 DG H3' H 1 4.903 0.002 . 1 . . 116 . A 11 DG H3' . 34876 1 83 . 1 . 1 11 11 DG H8 H 1 7.447 0.001 . 1 . . 45 . A 11 DG H8 . 34876 1 84 . 1 . 1 11 11 DG C8 C 13 142.337 . . 1 . . 110 . A 11 DG C8 . 34876 1 85 . 1 . 1 12 12 DG H1 H 1 11.808 0.002 . 1 . . 56 . A 12 DG H1 . 34876 1 86 . 1 . 1 12 12 DG H1' H 1 5.967 0.004 . 1 . . 61 . A 12 DG H1' . 34876 1 87 . 1 . 1 12 12 DG H2' H 1 2.480 0.009 . 1 . . 118 . A 12 DG H2' . 34876 1 88 . 1 . 1 12 12 DG H2'' H 1 2.756 0.001 . 1 . . 119 . A 12 DG H2'' . 34876 1 89 . 1 . 1 12 12 DG H3' H 1 4.990 0.002 . 1 . . 182 . A 12 DG H3' . 34876 1 90 . 1 . 1 12 12 DG H8 H 1 7.870 0.001 . 1 . . 60 . A 12 DG H8 . 34876 1 91 . 1 . 1 12 12 DG C8 C 13 138.222 . . 1 . . 123 . A 12 DG C8 . 34876 1 92 . 1 . 1 13 13 DG H1 H 1 10.981 0.001 . 1 . . 57 . A 13 DG H1 . 34876 1 93 . 1 . 1 13 13 DG H1' H 1 6.266 0.006 . 1 . . 63 . A 13 DG H1' . 34876 1 94 . 1 . 1 13 13 DG H2' H 1 2.717 0.002 . 1 . . 121 . A 13 DG H2' . 34876 1 95 . 1 . 1 13 13 DG H2'' H 1 2.593 0.0 . 1 . . 120 . A 13 DG H2'' . 34876 1 96 . 1 . 1 13 13 DG H3' H 1 5.023 0.0 . 1 . . 122 . A 13 DG H3' . 34876 1 97 . 1 . 1 13 13 DG H8 H 1 7.742 0.001 . 1 . . 62 . A 13 DG H8 . 34876 1 98 . 1 . 1 13 13 DG C8 C 13 138.237 . . 1 . . 124 . A 13 DG C8 . 34876 1 99 . 1 . 1 14 14 DT H1' H 1 6.595 0.001 . 1 . . 167 . A 14 DT H1' . 34876 1 100 . 1 . 1 14 14 DT H2' H 1 2.621 0.002 . 1 . . 172 . A 14 DT H2' . 34876 1 101 . 1 . 1 14 14 DT H2'' H 1 2.621 0.002 . 1 . . 168 . A 14 DT H2'' . 34876 1 102 . 1 . 1 14 14 DT H6 H 1 7.814 0.002 . 1 . . 164 . A 14 DT H6 . 34876 1 103 . 1 . 1 14 14 DT H71 H 1 2.053 0.001 . 1 . . 163 . A 14 DT H71 . 34876 1 104 . 1 . 1 14 14 DT H72 H 1 2.053 0.001 . 1 . . 163 . A 14 DT H72 . 34876 1 105 . 1 . 1 14 14 DT H73 H 1 2.053 0.001 . 1 . . 163 . A 14 DT H73 . 34876 1 106 . 1 . 1 14 14 DT C6 C 13 140.345 . . 1 . . 197 . A 14 DT C6 . 34876 1 107 . 1 . 1 15 15 DT H1' H 1 6.418 0.002 . 1 . . 174 . A 15 DT H1' . 34876 1 108 . 1 . 1 15 15 DT H2' H 1 2.381 0.002 . 2 . . 193 . A 15 DT H2' . 34876 1 109 . 1 . 1 15 15 DT H2'' H 1 2.588 0.003 . 2 . . 194 . A 15 DT H2'' . 34876 1 110 . 1 . 1 15 15 DT H3' H 1 4.687 0.001 . 1 . . 188 . A 15 DT H3' . 34876 1 111 . 1 . 1 15 15 DT H6 H 1 7.780 0.001 . 1 . . 175 . A 15 DT H6 . 34876 1 112 . 1 . 1 15 15 DT H71 H 1 1.953 0.0 . 1 . . 177 . A 15 DT H71 . 34876 1 113 . 1 . 1 15 15 DT H72 H 1 1.953 0.0 . 1 . . 177 . A 15 DT H72 . 34876 1 114 . 1 . 1 15 15 DT H73 H 1 1.953 0.0 . 1 . . 177 . A 15 DT H73 . 34876 1 115 . 1 . 1 15 15 DT C6 C 13 140.167 . . 1 . . 199 . A 15 DT C6 . 34876 1 116 . 1 . 1 16 16 DG H1 H 1 11.903 0.003 . 1 . . 47 . A 16 DG H1 . 34876 1 117 . 1 . 1 16 16 DG H1' H 1 6.046 0.002 . 1 . . 49 . A 16 DG H1' . 34876 1 118 . 1 . 1 16 16 DG H2' H 1 3.179 0.001 . 1 . . 132 . A 16 DG H2' . 34876 1 119 . 1 . 1 16 16 DG H2'' H 1 3.025 0.002 . 1 . . 131 . A 16 DG H2'' . 34876 1 120 . 1 . 1 16 16 DG H3' H 1 4.905 0.002 . 1 . . 183 . A 16 DG H3' . 34876 1 121 . 1 . 1 16 16 DG H8 H 1 7.503 0.001 . 1 . . 48 . A 16 DG H8 . 34876 1 122 . 1 . 1 16 16 DG C8 C 13 142.409 . . 1 . . 111 . A 16 DG C8 . 34876 1 123 . 1 . 1 17 17 DG H1 H 1 11.736 0.0 . 1 . . 41 . A 17 DG H1 . 34876 1 124 . 1 . 1 17 17 DG H1' H 1 5.953 0.006 . 1 . . 55 . A 17 DG H1' . 34876 1 125 . 1 . 1 17 17 DG H2' H 1 2.510 0.006 . 1 . . 133 . A 17 DG H2' . 34876 1 126 . 1 . 1 17 17 DG H2'' H 1 2.732 0.005 . 1 . . 134 . A 17 DG H2'' . 34876 1 127 . 1 . 1 17 17 DG H3' H 1 5.020 0.004 . 1 . . 184 . A 17 DG H3' . 34876 1 128 . 1 . 1 17 17 DG H8 H 1 7.749 0.002 . 1 . . 54 . A 17 DG H8 . 34876 1 129 . 1 . 1 17 17 DG C8 C 13 138.219 . . 1 . . 130 . A 17 DG C8 . 34876 1 130 . 1 . 1 18 18 DG H1 H 1 11.241 0.001 . 1 . . 42 . A 18 DG H1 . 34876 1 131 . 1 . 1 18 18 DG H1' H 1 6.300 0.002 . 1 . . 53 . A 18 DG H1' . 34876 1 132 . 1 . 1 18 18 DG H2' H 1 2.692 0.002 . 1 . . 136 . A 18 DG H2' . 34876 1 133 . 1 . 1 18 18 DG H2'' H 1 2.525 0.001 . 1 . . 135 . A 18 DG H2'' . 34876 1 134 . 1 . 1 18 18 DG H3' H 1 5.034 0.002 . 1 . . 185 . A 18 DG H3' . 34876 1 135 . 1 . 1 18 18 DG H8 H 1 7.846 0.002 . 1 . . 52 . A 18 DG H8 . 34876 1 136 . 1 . 1 18 18 DG C8 C 13 138.204 . . 1 . . 137 . A 18 DG C8 . 34876 1 137 . 1 . 1 19 19 DT H1' H 1 6.597 0.001 . 1 . . 169 . A 19 DT H1' . 34876 1 138 . 1 . 1 19 19 DT H2' H 1 2.621 0.001 . 1 . . 170 . A 19 DT H2' . 34876 1 139 . 1 . 1 19 19 DT H2'' H 1 2.621 0.001 . 1 . . 171 . A 19 DT H2'' . 34876 1 140 . 1 . 1 19 19 DT H6 H 1 7.813 0.001 . 1 . . 165 . A 19 DT H6 . 34876 1 141 . 1 . 1 19 19 DT H71 H 1 2.049 0.001 . 1 . . 166 . A 19 DT H71 . 34876 1 142 . 1 . 1 19 19 DT H72 H 1 2.049 0.001 . 1 . . 166 . A 19 DT H72 . 34876 1 143 . 1 . 1 19 19 DT H73 H 1 2.049 0.001 . 1 . . 166 . A 19 DT H73 . 34876 1 144 . 1 . 1 19 19 DT C6 C 13 140.338 . . 1 . . 196 . A 19 DT C6 . 34876 1 145 . 1 . 1 20 20 DT H1' H 1 6.417 0.001 . 1 . . 173 . A 20 DT H1' . 34876 1 146 . 1 . 1 20 20 DT H2' H 1 2.371 0.002 . 2 . . 190 . A 20 DT H2' . 34876 1 147 . 1 . 1 20 20 DT H2'' H 1 2.587 0.003 . 2 . . 191 . A 20 DT H2'' . 34876 1 148 . 1 . 1 20 20 DT H3' H 1 4.683 0.001 . 1 . . 189 . A 20 DT H3' . 34876 1 149 . 1 . 1 20 20 DT H6 H 1 7.780 0.001 . 1 . . 176 . A 20 DT H6 . 34876 1 150 . 1 . 1 20 20 DT H71 H 1 1.953 0.0 . 1 . . 178 . A 20 DT H71 . 34876 1 151 . 1 . 1 20 20 DT H72 H 1 1.953 0.0 . 1 . . 178 . A 20 DT H72 . 34876 1 152 . 1 . 1 20 20 DT H73 H 1 1.953 0.0 . 1 . . 178 . A 20 DT H73 . 34876 1 153 . 1 . 1 20 20 DT C6 C 13 140.147 . . 1 . . 198 . A 20 DT C6 . 34876 1 154 . 1 . 1 21 21 DG H1 H 1 11.723 0.003 . 1 . . 50 . A 21 DG H1 . 34876 1 155 . 1 . 1 21 21 DG H1' H 1 5.994 0.003 . 1 . . 27 . A 21 DG H1' . 34876 1 156 . 1 . 1 21 21 DG H2' H 1 3.047 0.001 . 1 . . 79 . A 21 DG H2' . 34876 1 157 . 1 . 1 21 21 DG H2'' H 1 2.967 0.002 . 1 . . 78 . A 21 DG H2'' . 34876 1 158 . 1 . 1 21 21 DG H3' H 1 4.888 0.0 . 1 . . 80 . A 21 DG H3' . 34876 1 159 . 1 . 1 21 21 DG H8 H 1 7.405 0.001 . 1 . . 26 . A 21 DG H8 . 34876 1 160 . 1 . 1 21 21 DG C8 C 13 142.052 . . 1 . . 28 . A 21 DG C8 . 34876 1 161 . 1 . 1 22 22 DG H1 H 1 11.826 0.003 . 1 . . 44 . A 22 DG H1 . 34876 1 162 . 1 . 1 22 22 DG H1' H 1 5.853 0.003 . 1 . . 30 . A 22 DG H1' . 34876 1 163 . 1 . 1 22 22 DG H2' H 1 2.566 0.006 . 1 . . 81 . A 22 DG H2' . 34876 1 164 . 1 . 1 22 22 DG H2'' H 1 2.796 0.0 . 1 . . 82 . A 22 DG H2'' . 34876 1 165 . 1 . 1 22 22 DG H3' H 1 5.046 0.003 . 1 . . 85 . A 22 DG H3' . 34876 1 166 . 1 . 1 22 22 DG H8 H 1 7.766 0.003 . 1 . . 29 . A 22 DG H8 . 34876 1 167 . 1 . 1 22 22 DG C8 C 13 138.223 . . 1 . . 33 . A 22 DG C8 . 34876 1 168 . 1 . 1 23 23 DG H1 H 1 11.089 0.003 . 1 . . 43 . A 23 DG H1 . 34876 1 169 . 1 . 1 23 23 DG H1' H 1 5.776 0.003 . 1 . . 32 . A 23 DG H1' . 34876 1 170 . 1 . 1 23 23 DG H2' H 1 2.636 0.005 . 1 . . 195 . A 23 DG H2' . 34876 1 171 . 1 . 1 23 23 DG H2'' H 1 2.656 0.003 . 1 . . 84 . A 23 DG H2'' . 34876 1 172 . 1 . 1 23 23 DG H3' H 1 5.024 0.001 . 1 . . 83 . A 23 DG H3' . 34876 1 173 . 1 . 1 23 23 DG H8 H 1 7.817 0.002 . 1 . . 31 . A 23 DG H8 . 34876 1 174 . 1 . 1 23 23 DG C8 C 13 137.964 . . 1 . . 34 . A 23 DG C8 . 34876 1 175 . 1 . 1 24 24 DA H1' H 1 6.282 0.003 . 1 . . 21 . A 24 DA H1' . 34876 1 176 . 1 . 1 24 24 DA H2 H 1 7.592 0.001 . 1 . . 22 . A 24 DA H2 . 34876 1 177 . 1 . 1 24 24 DA H2' H 1 2.657 0.01 . 1 . . 86 . A 24 DA H2' . 34876 1 178 . 1 . 1 24 24 DA H2'' H 1 2.871 0.001 . 1 . . 87 . A 24 DA H2'' . 34876 1 179 . 1 . 1 24 24 DA H3' H 1 5.098 0.001 . 1 . . 88 . A 24 DA H3' . 34876 1 180 . 1 . 1 24 24 DA H8 H 1 8.305 0.001 . 1 . . 20 . A 24 DA H8 . 34876 1 181 . 1 . 1 24 24 DA C2 C 13 154.917 . . 1 . . 23 . A 24 DA C2 . 34876 1 182 . 1 . 1 24 24 DA C8 C 13 141.278 . . 1 . . 25 . A 24 DA C8 . 34876 1 183 . 1 . 1 25 25 DC H1' H 1 5.570 0.004 . 1 . . 90 . A 25 DC H1' . 34876 1 184 . 1 . 1 25 25 DC H2' H 1 1.907 0.002 . 1 . . 93 . A 25 DC H2' . 34876 1 185 . 1 . 1 25 25 DC H2'' H 1 2.254 0.003 . 1 . . 94 . A 25 DC H2'' . 34876 1 186 . 1 . 1 25 25 DC H3' H 1 4.830 0.0 . 1 . . 95 . A 25 DC H3' . 34876 1 187 . 1 . 1 25 25 DC H5 H 1 5.237 0.002 . 1 . . 98 . A 25 DC H5 . 34876 1 188 . 1 . 1 25 25 DC H6 H 1 7.223 0.002 . 1 . . 89 . A 25 DC H6 . 34876 1 189 . 1 . 1 25 25 DC H41 H 1 7.983 0.001 . 1 . . 140 . A 25 DC H41 . 34876 1 190 . 1 . 1 25 25 DC H42 H 1 6.357 0.001 . 1 . . 150 . A 25 DC H42 . 34876 1 191 . 1 . 1 25 25 DC C6 C 13 142.548 . . 1 . . 102 . A 25 DC C6 . 34876 1 192 . 1 . 1 26 26 DG H1 H 1 12.942 0.004 . 1 . . 97 . A 26 DG H1 . 34876 1 193 . 1 . 1 26 26 DG H1' H 1 5.878 0.002 . 1 . . 154 . A 26 DG H1' . 34876 1 194 . 1 . 1 26 26 DG H2' H 1 2.583 0.003 . 1 . . 100 . A 26 DG H2' . 34876 1 195 . 1 . 1 26 26 DG H2'' H 1 2.675 0.005 . 1 . . 101 . A 26 DG H2'' . 34876 1 196 . 1 . 1 26 26 DG H3' H 1 4.930 0.002 . 1 . . 186 . A 26 DG H3' . 34876 1 197 . 1 . 1 26 26 DG H8 H 1 7.843 0.002 . 1 . . 91 . A 26 DG H8 . 34876 1 198 . 1 . 1 26 26 DG C8 C 13 138.209 . . 1 . . 99 . A 26 DG C8 . 34876 1 199 . 1 . 1 27 27 DC H1' H 1 6.134 0.003 . 1 . . 155 . A 27 DC H1' . 34876 1 200 . 1 . 1 27 27 DC H2' H 1 2.120 0.006 . 1 . . 157 . A 27 DC H2' . 34876 1 201 . 1 . 1 27 27 DC H2'' H 1 2.131 0.006 . 1 . . 156 . A 27 DC H2'' . 34876 1 202 . 1 . 1 27 27 DC H3' H 1 4.451 0.001 . 1 . . 187 . A 27 DC H3' . 34876 1 203 . 1 . 1 27 27 DC H5 H 1 5.503 0.002 . 1 . . 139 . A 27 DC H5 . 34876 1 204 . 1 . 1 27 27 DC H6 H 1 7.427 0.002 . 1 . . 112 . A 27 DC H6 . 34876 1 205 . 1 . 1 27 27 DC H41 H 1 6.652 . . 1 . . 151 . A 27 DC H41 . 34876 1 206 . 1 . 1 27 27 DC H42 H 1 8.057 . . 1 . . 152 . A 27 DC H42 . 34876 1 207 . 1 . 1 27 27 DC C6 C 13 143.247 . . 1 . . 113 . A 27 DC C6 . 34876 1 stop_ save_