data_34525 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34525 _Entry.Title ; Structure of a parallel c-Myc modified with 5' duplex stem-loop overhang ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-06-30 _Entry.Accession_date 2020-06-30 _Entry.Last_release_date 2020-07-02 _Entry.Original_release_date 2020-07-02 _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 Y. Vianney Y. M. . . 34525 2 K. Weisz K. . . . 34525 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DNA . 34525 Duplex . 34525 G-quadruplex . 34525 'Quadruplex-Duplex Junction' . 34525 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34525 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 237 34525 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 . . 2021-09-09 2020-06-30 update BMRB 'update entry citation' 34525 1 . . 2020-10-01 2020-06-30 original author 'original release' 34525 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6ZL9 'BMRB Entry Tracking System' 34525 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34525 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32975874 _Citation.DOI 10.1002/chem.202003540 _Citation.Full_citation . _Citation.Title ; Quadruplex-Duplex Junction: A High-Affinity Binding Site for Indoloquinoline Ligands ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Chemistry _Citation.Journal_name_full . _Citation.Journal_volume 26 _Citation.Journal_issue 70 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 16910 _Citation.Page_last 16922 _Citation.Year 2020 _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 Y. Vianney Y. M. . . 34525 1 2 P. Preckwinkel P. . . . 34525 1 3 S. Mohr S. . . . 34525 1 4 K. Weisz K. . . . 34525 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34525 _Assembly.ID 1 _Assembly.Name 'DNA (35-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 . . . . . . 34525 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34525 _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 ; GATCAGTTTTACTGATCGGG TGGGTAGGGTGGGTA ; _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 35 _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 10986.035 _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 . 34525 1 2 . DA . 34525 1 3 . DT . 34525 1 4 . DC . 34525 1 5 . DA . 34525 1 6 . DG . 34525 1 7 . DT . 34525 1 8 . DT . 34525 1 9 . DT . 34525 1 10 . DT . 34525 1 11 . DA . 34525 1 12 . DC . 34525 1 13 . DT . 34525 1 14 . DG . 34525 1 15 . DA . 34525 1 16 . DT . 34525 1 17 . DC . 34525 1 18 . DG . 34525 1 19 . DG . 34525 1 20 . DG . 34525 1 21 . DT . 34525 1 22 . DG . 34525 1 23 . DG . 34525 1 24 . DG . 34525 1 25 . DT . 34525 1 26 . DA . 34525 1 27 . DG . 34525 1 28 . DG . 34525 1 29 . DG . 34525 1 30 . DT . 34525 1 31 . DG . 34525 1 32 . DG . 34525 1 33 . DG . 34525 1 34 . DT . 34525 1 35 . DA . 34525 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 34525 1 . DA 2 2 34525 1 . DT 3 3 34525 1 . DC 4 4 34525 1 . DA 5 5 34525 1 . DG 6 6 34525 1 . DT 7 7 34525 1 . DT 8 8 34525 1 . DT 9 9 34525 1 . DT 10 10 34525 1 . DA 11 11 34525 1 . DC 12 12 34525 1 . DT 13 13 34525 1 . DG 14 14 34525 1 . DA 15 15 34525 1 . DT 16 16 34525 1 . DC 17 17 34525 1 . DG 18 18 34525 1 . DG 19 19 34525 1 . DG 20 20 34525 1 . DT 21 21 34525 1 . DG 22 22 34525 1 . DG 23 23 34525 1 . DG 24 24 34525 1 . DT 25 25 34525 1 . DA 26 26 34525 1 . DG 27 27 34525 1 . DG 28 28 34525 1 . DG 29 29 34525 1 . DT 30 30 34525 1 . DG 31 31 34525 1 . DG 32 32 34525 1 . DG 33 33 34525 1 . DT 34 34 34525 1 . DA 35 35 34525 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 34525 _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' . . . . . . . . . . . . . . . . . . . . 34525 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 34525 _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' . . . . . . . . . . . . . . . . 34525 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34525 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM 0 Nucleic acid, 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 'Nucleic acid' 'natural abundance' . . 1 $entity_1 . . 0.5 . . mM . . . . 34525 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 34525 _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 34525 1 pH 7.0 . pH 34525 1 pressure 1 . atm 34525 1 temperature 293 . K 34525 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34525 _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 . . 34525 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34525 1 'data analysis' . 34525 1 'peak picking' . 34525 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34525 _Software.ID 2 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version 2.52 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 34525 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34525 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34525 _Software.ID 3 _Software.Type . _Software.Name Amber _Software.Version 16 _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' . . 34525 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34525 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 34525 _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 34525 _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 . . . 34525 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 34525 _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 . . . . . . . . . . . . . . . . . 34525 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 34525 _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 H 1 water protons . . . . ppm 4.84 internal direct 1 . . . . . 34525 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 34525 _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 '2D 1H-1H NOESY = 300 ms and 80 ms mixing time' _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' . . . 34525 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 DG H1 H 1 11.970 0.001 . 1 . . 464 . A 1 DG H1 . 34525 1 2 . 1 . 1 1 1 DG H1' H 1 5.401 0.002 . 1 . . 502 . A 1 DG H1' . 34525 1 3 . 1 . 1 1 1 DG H2' H 1 1.831 0.002 . 1 . . 504 . A 1 DG H2' . 34525 1 4 . 1 . 1 1 1 DG H2'' H 1 2.315 0.005 . 1 . . 505 . A 1 DG H2'' . 34525 1 5 . 1 . 1 1 1 DG H3' H 1 4.512 0.001 . 1 . . 775 . A 1 DG H3' . 34525 1 6 . 1 . 1 1 1 DG H8 H 1 7.139 0.002 . 1 . . 503 . A 1 DG H8 . 34525 1 7 . 1 . 1 2 2 DA H1' H 1 6.058 0.002 . 1 . . 495 . A 2 DA H1' . 34525 1 8 . 1 . 1 2 2 DA H2 H 1 7.599 0.001 . 1 . . 562 . A 2 DA H2 . 34525 1 9 . 1 . 1 2 2 DA H2' H 1 2.559 0.003 . 1 . . 716 . A 2 DA H2' . 34525 1 10 . 1 . 1 2 2 DA H2'' H 1 2.822 0.001 . 1 . . 717 . A 2 DA H2'' . 34525 1 11 . 1 . 1 2 2 DA H3' H 1 4.752 0.001 . 1 . . 776 . A 2 DA H3' . 34525 1 12 . 1 . 1 2 2 DA H8 H 1 8.059 0.001 . 1 . . 496 . A 2 DA H8 . 34525 1 13 . 1 . 1 3 3 DT H1' H 1 5.851 0.001 . 1 . . 493 . A 3 DT H1' . 34525 1 14 . 1 . 1 3 3 DT H2' H 1 1.942 . . 1 . . 721 . A 3 DT H2' . 34525 1 15 . 1 . 1 3 3 DT H2'' H 1 2.379 0.0 . 1 . . 720 . A 3 DT H2'' . 34525 1 16 . 1 . 1 3 3 DT H3 H 1 13.361 0.004 . 1 . . 559 . A 3 DT H3 . 34525 1 17 . 1 . 1 3 3 DT H3' H 1 4.799 0.001 . 1 . . 777 . A 3 DT H3' . 34525 1 18 . 1 . 1 3 3 DT H6 H 1 7.029 0.002 . 1 . . 494 . A 3 DT H6 . 34525 1 19 . 1 . 1 3 3 DT H71 H 1 1.153 0.003 . 1 . . 700 . A 3 DT H71 . 34525 1 20 . 1 . 1 3 3 DT H72 H 1 1.153 0.003 . 1 . . 700 . A 3 DT H72 . 34525 1 21 . 1 . 1 3 3 DT H73 H 1 1.153 0.003 . 1 . . 700 . A 3 DT H73 . 34525 1 22 . 1 . 1 4 4 DC H1' H 1 5.371 0.002 . 1 . . 490 . A 4 DC H1' . 34525 1 23 . 1 . 1 4 4 DC H2' H 1 1.962 0.001 . 1 . . 703 . A 4 DC H2' . 34525 1 24 . 1 . 1 4 4 DC H2'' H 1 2.291 0.004 . 1 . . 704 . A 4 DC H2'' . 34525 1 25 . 1 . 1 4 4 DC H3' H 1 4.800 . . 1 . . 778 . A 4 DC H3' . 34525 1 26 . 1 . 1 4 4 DC H5 H 1 5.539 0.001 . 1 . . 492 . A 4 DC H5 . 34525 1 27 . 1 . 1 4 4 DC H6 H 1 7.415 0.002 . 1 . . 491 . A 4 DC H6 . 34525 1 28 . 1 . 1 4 4 DC H41 H 1 8.328 0.001 . 1 . . 553 . A 4 DC H41 . 34525 1 29 . 1 . 1 4 4 DC H42 H 1 6.644 . . 1 . . 809 . A 4 DC H42 . 34525 1 30 . 1 . 1 5 5 DA H1' H 1 6.000 0.001 . 1 . . 488 . A 5 DA H1' . 34525 1 31 . 1 . 1 5 5 DA H2 H 1 7.545 . . 1 . . 810 . A 5 DA H2 . 34525 1 32 . 1 . 1 5 5 DA H2' H 1 2.757 0.001 . 1 . . 705 . A 5 DA H2' . 34525 1 33 . 1 . 1 5 5 DA H2'' H 1 2.836 0.005 . 1 . . 706 . A 5 DA H2'' . 34525 1 34 . 1 . 1 5 5 DA H3' H 1 5.014 0.0 . 1 . . 779 . A 5 DA H3' . 34525 1 35 . 1 . 1 5 5 DA H8 H 1 8.179 0.001 . 1 . . 489 . A 5 DA H8 . 34525 1 36 . 1 . 1 6 6 DG H1 H 1 12.788 0.003 . 1 . . 557 . A 6 DG H1 . 34525 1 37 . 1 . 1 6 6 DG H1' H 1 5.787 0.001 . 1 . . 486 . A 6 DG H1' . 34525 1 38 . 1 . 1 6 6 DG H2' H 1 2.388 0.0 . 1 . . 725 . A 6 DG H2' . 34525 1 39 . 1 . 1 6 6 DG H2'' H 1 2.569 0.002 . 1 . . 724 . A 6 DG H2'' . 34525 1 40 . 1 . 1 6 6 DG H3' H 1 4.786 0.001 . 1 . . 780 . A 6 DG H3' . 34525 1 41 . 1 . 1 6 6 DG H8 H 1 7.534 0.001 . 1 . . 487 . A 6 DG H8 . 34525 1 42 . 1 . 1 7 7 DT H1' H 1 6.032 0.001 . 1 . . 484 . A 7 DT H1' . 34525 1 43 . 1 . 1 7 7 DT H2' H 1 1.982 . . 1 . . 727 . A 7 DT H2' . 34525 1 44 . 1 . 1 7 7 DT H2'' H 1 2.101 0.002 . 1 . . 726 . A 7 DT H2'' . 34525 1 45 . 1 . 1 7 7 DT H3' H 1 4.790 0.003 . 1 . . 781 . A 7 DT H3' . 34525 1 46 . 1 . 1 7 7 DT H6 H 1 7.203 0.002 . 1 . . 485 . A 7 DT H6 . 34525 1 47 . 1 . 1 7 7 DT H71 H 1 1.302 0.002 . 1 . . 695 . A 7 DT H71 . 34525 1 48 . 1 . 1 7 7 DT H72 H 1 1.302 0.002 . 1 . . 695 . A 7 DT H72 . 34525 1 49 . 1 . 1 7 7 DT H73 H 1 1.302 0.002 . 1 . . 695 . A 7 DT H73 . 34525 1 50 . 1 . 1 8 8 DT H1' H 1 6.285 0.002 . 1 . . 482 . A 8 DT H1' . 34525 1 51 . 1 . 1 8 8 DT H2' H 1 1.955 0.003 . 1 . . 728 . A 8 DT H2' . 34525 1 52 . 1 . 1 8 8 DT H2'' H 1 2.327 0.002 . 1 . . 729 . A 8 DT H2'' . 34525 1 53 . 1 . 1 8 8 DT H3' H 1 4.752 . . 1 . . 782 . A 8 DT H3' . 34525 1 54 . 1 . 1 8 8 DT H6 H 1 7.767 0.001 . 1 . . 483 . A 8 DT H6 . 34525 1 55 . 1 . 1 8 8 DT H71 H 1 1.907 . . 1 . . 699 . A 8 DT H71 . 34525 1 56 . 1 . 1 8 8 DT H72 H 1 1.907 . . 1 . . 699 . A 8 DT H72 . 34525 1 57 . 1 . 1 8 8 DT H73 H 1 1.907 . . 1 . . 699 . A 8 DT H73 . 34525 1 58 . 1 . 1 9 9 DT H1' H 1 5.526 0.003 . 1 . . 480 . A 9 DT H1' . 34525 1 59 . 1 . 1 9 9 DT H2' H 1 1.832 0.001 . 1 . . 731 . A 9 DT H2' . 34525 1 60 . 1 . 1 9 9 DT H2'' H 1 2.114 . . 1 . . 730 . A 9 DT H2'' . 34525 1 61 . 1 . 1 9 9 DT H3' H 1 4.529 0.002 . 1 . . 783 . A 9 DT H3' . 34525 1 62 . 1 . 1 9 9 DT H6 H 1 7.483 0.001 . 1 . . 481 . A 9 DT H6 . 34525 1 63 . 1 . 1 9 9 DT H71 H 1 1.623 0.003 . 1 . . 698 . A 9 DT H71 . 34525 1 64 . 1 . 1 9 9 DT H72 H 1 1.623 0.003 . 1 . . 698 . A 9 DT H72 . 34525 1 65 . 1 . 1 9 9 DT H73 H 1 1.623 0.003 . 1 . . 698 . A 9 DT H73 . 34525 1 66 . 1 . 1 10 10 DT H1' H 1 5.952 0.001 . 1 . . 472 . A 10 DT H1' . 34525 1 67 . 1 . 1 10 10 DT H2' H 1 2.095 0.002 . 1 . . 715 . A 10 DT H2' . 34525 1 68 . 1 . 1 10 10 DT H2'' H 1 2.311 0.001 . 1 . . 714 . A 10 DT H2'' . 34525 1 69 . 1 . 1 10 10 DT H3' H 1 4.644 0.001 . 1 . . 713 . A 10 DT H3' . 34525 1 70 . 1 . 1 10 10 DT H6 H 1 7.356 0.001 . 1 . . 479 . A 10 DT H6 . 34525 1 71 . 1 . 1 10 10 DT H71 H 1 1.672 . . 1 . . 696 . A 10 DT H71 . 34525 1 72 . 1 . 1 10 10 DT H72 H 1 1.672 . . 1 . . 696 . A 10 DT H72 . 34525 1 73 . 1 . 1 10 10 DT H73 H 1 1.672 . . 1 . . 696 . A 10 DT H73 . 34525 1 74 . 1 . 1 11 11 DA H1' H 1 6.364 0.002 . 1 . . 470 . A 11 DA H1' . 34525 1 75 . 1 . 1 11 11 DA H2' H 1 2.767 0.004 . 1 . . 707 . A 11 DA H2' . 34525 1 76 . 1 . 1 11 11 DA H2'' H 1 2.977 0.003 . 1 . . 708 . A 11 DA H2'' . 34525 1 77 . 1 . 1 11 11 DA H3' H 1 4.883 0.001 . 1 . . 712 . A 11 DA H3' . 34525 1 78 . 1 . 1 11 11 DA H8 H 1 8.352 0.001 . 1 . . 471 . A 11 DA H8 . 34525 1 79 . 1 . 1 12 12 DC H1' H 1 6.091 0.001 . 1 . . 499 . A 12 DC H1' . 34525 1 80 . 1 . 1 12 12 DC H2' H 1 1.862 0.001 . 1 . . 733 . A 12 DC H2' . 34525 1 81 . 1 . 1 12 12 DC H2'' H 1 2.564 0.0 . 1 . . 732 . A 12 DC H2'' . 34525 1 82 . 1 . 1 12 12 DC H3' H 1 4.681 . . 1 . . 784 . A 12 DC H3' . 34525 1 83 . 1 . 1 12 12 DC H5 H 1 5.178 0.003 . 1 . . 498 . A 12 DC H5 . 34525 1 84 . 1 . 1 12 12 DC H6 H 1 7.271 0.002 . 1 . . 497 . A 12 DC H6 . 34525 1 85 . 1 . 1 12 12 DC H41 H 1 6.573 . . 1 . . 555 . A 12 DC H41 . 34525 1 86 . 1 . 1 12 12 DC H42 H 1 7.973 0.001 . 1 . . 556 . A 12 DC H42 . 34525 1 87 . 1 . 1 13 13 DT H1' H 1 5.809 0.001 . 1 . . 501 . A 13 DT H1' . 34525 1 88 . 1 . 1 13 13 DT H2' H 1 1.780 0.002 . 1 . . 735 . A 13 DT H2' . 34525 1 89 . 1 . 1 13 13 DT H2'' H 1 2.232 0.003 . 1 . . 734 . A 13 DT H2'' . 34525 1 90 . 1 . 1 13 13 DT H3 H 1 13.774 0.002 . 1 . . 561 . A 13 DT H3 . 34525 1 91 . 1 . 1 13 13 DT H3' H 1 4.794 . . 1 . . 785 . A 13 DT H3' . 34525 1 92 . 1 . 1 13 13 DT H6 H 1 7.150 0.002 . 1 . . 500 . A 13 DT H6 . 34525 1 93 . 1 . 1 13 13 DT H71 H 1 1.467 0.002 . 1 . . 694 . A 13 DT H71 . 34525 1 94 . 1 . 1 13 13 DT H72 H 1 1.467 0.002 . 1 . . 694 . A 13 DT H72 . 34525 1 95 . 1 . 1 13 13 DT H73 H 1 1.467 0.002 . 1 . . 694 . A 13 DT H73 . 34525 1 96 . 1 . 1 14 14 DG H1 H 1 12.450 0.002 . 1 . . 554 . A 14 DG H1 . 34525 1 97 . 1 . 1 14 14 DG H1' H 1 5.386 0.003 . 1 . . 507 . A 14 DG H1' . 34525 1 98 . 1 . 1 14 14 DG H2' H 1 2.668 . . 1 . . 741 . A 14 DG H2' . 34525 1 99 . 1 . 1 14 14 DG H2'' H 1 2.670 . . 1 . . 736 . A 14 DG H2'' . 34525 1 100 . 1 . 1 14 14 DG H3' H 1 4.950 0.0 . 1 . . 786 . A 14 DG H3' . 34525 1 101 . 1 . 1 14 14 DG H8 H 1 7.854 0.004 . 1 . . 506 . A 14 DG H8 . 34525 1 102 . 1 . 1 15 15 DA H1' H 1 6.201 0.003 . 1 . . 509 . A 15 DA H1' . 34525 1 103 . 1 . 1 15 15 DA H2 H 1 7.663 0.0 . 1 . . 558 . A 15 DA H2 . 34525 1 104 . 1 . 1 15 15 DA H2' H 1 2.597 0.003 . 1 . . 742 . A 15 DA H2' . 34525 1 105 . 1 . 1 15 15 DA H2'' H 1 2.878 0.001 . 1 . . 743 . A 15 DA H2'' . 34525 1 106 . 1 . 1 15 15 DA H3' H 1 4.949 . . 1 . . 787 . A 15 DA H3' . 34525 1 107 . 1 . 1 15 15 DA H8 H 1 8.160 0.002 . 1 . . 508 . A 15 DA H8 . 34525 1 108 . 1 . 1 16 16 DT H1' H 1 5.856 0.002 . 1 . . 511 . A 16 DT H1' . 34525 1 109 . 1 . 1 16 16 DT H2' H 1 2.016 0.0 . 1 . . 745 . A 16 DT H2' . 34525 1 110 . 1 . 1 16 16 DT H2'' H 1 2.440 0.001 . 1 . . 744 . A 16 DT H2'' . 34525 1 111 . 1 . 1 16 16 DT H3 H 1 13.978 . . 1 . . 560 . A 16 DT H3 . 34525 1 112 . 1 . 1 16 16 DT H3' H 1 4.801 0.002 . 1 . . 788 . A 16 DT H3' . 34525 1 113 . 1 . 1 16 16 DT H6 H 1 7.091 0.003 . 1 . . 510 . A 16 DT H6 . 34525 1 114 . 1 . 1 16 16 DT H71 H 1 1.299 0.003 . 1 . . 693 . A 16 DT H71 . 34525 1 115 . 1 . 1 16 16 DT H72 H 1 1.299 0.003 . 1 . . 693 . A 16 DT H72 . 34525 1 116 . 1 . 1 16 16 DT H73 H 1 1.299 0.003 . 1 . . 693 . A 16 DT H73 . 34525 1 117 . 1 . 1 17 17 DC H1' H 1 5.934 . . 1 . . 522 . A 17 DC H1' . 34525 1 118 . 1 . 1 17 17 DC H2' H 1 2.280 0.003 . 1 . . 748 . A 17 DC H2' . 34525 1 119 . 1 . 1 17 17 DC H2'' H 1 2.397 0.003 . 1 . . 746 . A 17 DC H2'' . 34525 1 120 . 1 . 1 17 17 DC H3' H 1 4.892 0.001 . 1 . . 789 . A 17 DC H3' . 34525 1 121 . 1 . 1 17 17 DC H5 H 1 5.216 0.004 . 1 . . 512 . A 17 DC H5 . 34525 1 122 . 1 . 1 17 17 DC H6 H 1 7.338 0.002 . 1 . . 513 . A 17 DC H6 . 34525 1 123 . 1 . 1 18 18 DG H1 H 1 11.632 0.002 . 1 . . 514 . A 18 DG H1 . 34525 1 124 . 1 . 1 18 18 DG H1' H 1 6.102 0.001 . 1 . . 523 . A 18 DG H1' . 34525 1 125 . 1 . 1 18 18 DG H2' H 1 2.631 0.003 . 1 . . 747 . A 18 DG H2' . 34525 1 126 . 1 . 1 18 18 DG H2'' H 1 2.943 0.004 . 1 . . 548 . A 18 DG H2'' . 34525 1 127 . 1 . 1 18 18 DG H3' H 1 4.998 . . 1 . . 790 . A 18 DG H3' . 34525 1 128 . 1 . 1 18 18 DG H8 H 1 7.986 0.002 . 1 . . 519 . A 18 DG H8 . 34525 1 129 . 1 . 1 19 19 DG H1 H 1 11.321 0.004 . 1 . . 469 . A 19 DG H1 . 34525 1 130 . 1 . 1 19 19 DG H1' H 1 6.219 0.002 . 1 . . 749 . A 19 DG H1' . 34525 1 131 . 1 . 1 19 19 DG H2' H 1 2.590 0.0 . 1 . . 753 . A 19 DG H2' . 34525 1 132 . 1 . 1 19 19 DG H2'' H 1 2.887 0.004 . 1 . . 750 . A 19 DG H2'' . 34525 1 133 . 1 . 1 19 19 DG H3' H 1 5.037 . . 1 . . 791 . A 19 DG H3' . 34525 1 134 . 1 . 1 19 19 DG H8 H 1 7.749 0.003 . 1 . . 520 . A 19 DG H8 . 34525 1 135 . 1 . 1 20 20 DG H1 H 1 10.912 0.003 . 1 . . 468 . A 20 DG H1 . 34525 1 136 . 1 . 1 20 20 DG H1' H 1 6.411 0.001 . 1 . . 551 . A 20 DG H1' . 34525 1 137 . 1 . 1 20 20 DG H2' H 1 2.721 . . 1 . . 752 . A 20 DG H2' . 34525 1 138 . 1 . 1 20 20 DG H2'' H 1 2.566 . . 1 . . 751 . A 20 DG H2'' . 34525 1 139 . 1 . 1 20 20 DG H3' H 1 5.115 . . 1 . . 792 . A 20 DG H3' . 34525 1 140 . 1 . 1 20 20 DG H8 H 1 7.746 0.0 . 1 . . 552 . A 20 DG H8 . 34525 1 141 . 1 . 1 21 21 DT H1' H 1 6.515 0.002 . 1 . . 545 . A 21 DT H1' . 34525 1 142 . 1 . 1 21 21 DT H2' H 1 2.464 0.001 . 1 . . 737 . A 21 DT H2' . 34525 1 143 . 1 . 1 21 21 DT H2'' H 1 2.665 . . 1 . . 738 . A 21 DT H2'' . 34525 1 144 . 1 . 1 21 21 DT H3' H 1 5.100 . . 1 . . 805 . A 21 DT H3' . 34525 1 145 . 1 . 1 21 21 DT H6 H 1 7.842 0.001 . 1 . . 544 . A 21 DT H6 . 34525 1 146 . 1 . 1 21 21 DT H71 H 1 1.979 . . 1 . . 701 . A 21 DT H71 . 34525 1 147 . 1 . 1 21 21 DT H72 H 1 1.979 . . 1 . . 701 . A 21 DT H72 . 34525 1 148 . 1 . 1 21 21 DT H73 H 1 1.979 . . 1 . . 701 . A 21 DT H73 . 34525 1 149 . 1 . 1 22 22 DG H1 H 1 11.887 0.005 . 1 . . 477 . A 22 DG H1 . 34525 1 150 . 1 . 1 22 22 DG H1' H 1 6.173 . . 1 . . 531 . A 22 DG H1' . 34525 1 151 . 1 . 1 22 22 DG H2' H 1 2.453 . . 1 . . 756 . A 22 DG H2' . 34525 1 152 . 1 . 1 22 22 DG H2'' H 1 2.868 0.001 . 1 . . 755 . A 22 DG H2'' . 34525 1 153 . 1 . 1 22 22 DG H3' H 1 5.077 . . 1 . . 793 . A 22 DG H3' . 34525 1 154 . 1 . 1 22 22 DG H8 H 1 7.933 0.002 . 1 . . 528 . A 22 DG H8 . 34525 1 155 . 1 . 1 23 23 DG H1 H 1 11.496 0.004 . 1 . . 465 . A 23 DG H1 . 34525 1 156 . 1 . 1 23 23 DG H1' H 1 6.120 0.002 . 1 . . 530 . A 23 DG H1' . 34525 1 157 . 1 . 1 23 23 DG H2' H 1 2.664 0.001 . 1 . . 757 . A 23 DG H2' . 34525 1 158 . 1 . 1 23 23 DG H2'' H 1 2.808 0.001 . 1 . . 754 . A 23 DG H2'' . 34525 1 159 . 1 . 1 23 23 DG H3' H 1 5.063 . . 1 . . 794 . A 23 DG H3' . 34525 1 160 . 1 . 1 23 23 DG H8 H 1 7.932 0.001 . 1 . . 527 . A 23 DG H8 . 34525 1 161 . 1 . 1 24 24 DG H1 H 1 11.249 0.002 . 1 . . 515 . A 24 DG H1 . 34525 1 162 . 1 . 1 24 24 DG H1' H 1 6.384 0.003 . 1 . . 529 . A 24 DG H1' . 34525 1 163 . 1 . 1 24 24 DG H2' H 1 2.531 0.002 . 1 . . 761 . A 24 DG H2' . 34525 1 164 . 1 . 1 24 24 DG H2'' H 1 2.703 . . 1 . . 760 . A 24 DG H2'' . 34525 1 165 . 1 . 1 24 24 DG H3' H 1 4.999 . . 1 . . 796 . A 24 DG H3' . 34525 1 166 . 1 . 1 24 24 DG H8 H 1 7.804 0.001 . 1 . . 526 . A 24 DG H8 . 34525 1 167 . 1 . 1 25 25 DT H1' H 1 6.197 0.003 . 1 . . 542 . A 25 DT H1' . 34525 1 168 . 1 . 1 25 25 DT H2' H 1 2.166 . . 1 . . 763 . A 25 DT H2' . 34525 1 169 . 1 . 1 25 25 DT H2'' H 1 2.417 . . 1 . . 764 . A 25 DT H2'' . 34525 1 170 . 1 . 1 25 25 DT H3' H 1 4.668 . . 1 . . 807 . A 25 DT H3' . 34525 1 171 . 1 . 1 25 25 DT H6 H 1 7.596 0.001 . 1 . . 543 . A 25 DT H6 . 34525 1 172 . 1 . 1 25 25 DT H71 H 1 1.901 0.002 . 1 . . 762 . A 25 DT H71 . 34525 1 173 . 1 . 1 25 25 DT H72 H 1 1.901 0.002 . 1 . . 762 . A 25 DT H72 . 34525 1 174 . 1 . 1 25 25 DT H73 H 1 1.901 0.002 . 1 . . 762 . A 25 DT H73 . 34525 1 175 . 1 . 1 26 26 DA H1' H 1 6.681 0.003 . 1 . . 473 . A 26 DA H1' . 34525 1 176 . 1 . 1 26 26 DA H2 H 1 8.362 . . 1 . . 808 . A 26 DA H2 . 34525 1 177 . 1 . 1 26 26 DA H2' H 1 3.089 0.007 . 1 . . 709 . A 26 DA H2' . 34525 1 178 . 1 . 1 26 26 DA H2'' H 1 2.963 0.002 . 1 . . 710 . A 26 DA H2'' . 34525 1 179 . 1 . 1 26 26 DA H3' H 1 5.188 . . 1 . . 711 . A 26 DA H3' . 34525 1 180 . 1 . 1 26 26 DA H8 H 1 8.518 0.002 . 1 . . 474 . A 26 DA H8 . 34525 1 181 . 1 . 1 27 27 DG H1 H 1 11.046 0.001 . 1 . . 536 . A 27 DG H1 . 34525 1 182 . 1 . 1 27 27 DG H1' H 1 6.093 0.001 . 1 . . 475 . A 27 DG H1' . 34525 1 183 . 1 . 1 27 27 DG H2' H 1 2.590 0.002 . 1 . . 718 . A 27 DG H2' . 34525 1 184 . 1 . 1 27 27 DG H2'' H 1 2.913 0.005 . 1 . . 719 . A 27 DG H2'' . 34525 1 185 . 1 . 1 27 27 DG H3' H 1 5.003 . . 1 . . 797 . A 27 DG H3' . 34525 1 186 . 1 . 1 27 27 DG H8 H 1 8.040 0.001 . 1 . . 476 . A 27 DG H8 . 34525 1 187 . 1 . 1 28 28 DG H1 H 1 11.130 0.002 . 1 . . 467 . A 28 DG H1 . 34525 1 188 . 1 . 1 28 28 DG H1' H 1 6.086 . . 1 . . 804 . A 28 DG H1' . 34525 1 189 . 1 . 1 28 28 DG H2' H 1 2.568 0.003 . 1 . . 766 . A 28 DG H2' . 34525 1 190 . 1 . 1 28 28 DG H2'' H 1 2.863 0.001 . 1 . . 765 . A 28 DG H2'' . 34525 1 191 . 1 . 1 28 28 DG H3' H 1 4.933 0.006 . 1 . . 798 . A 28 DG H3' . 34525 1 192 . 1 . 1 28 28 DG H8 H 1 7.644 0.002 . 1 . . 478 . A 28 DG H8 . 34525 1 193 . 1 . 1 29 29 DG H1 H 1 10.756 0.003 . 1 . . 466 . A 29 DG H1 . 34525 1 194 . 1 . 1 29 29 DG H1' H 1 6.376 0.001 . 1 . . 541 . A 29 DG H1' . 34525 1 195 . 1 . 1 29 29 DG H2' H 1 2.539 0.002 . 1 . . 758 . A 29 DG H2' . 34525 1 196 . 1 . 1 29 29 DG H2'' H 1 2.654 . . 1 . . 759 . A 29 DG H2'' . 34525 1 197 . 1 . 1 29 29 DG H3' H 1 5.076 . . 1 . . 799 . A 29 DG H3' . 34525 1 198 . 1 . 1 29 29 DG H8 H 1 7.700 0.001 . 1 . . 540 . A 29 DG H8 . 34525 1 199 . 1 . 1 30 30 DT H1' H 1 6.488 0.001 . 1 . . 547 . A 30 DT H1' . 34525 1 200 . 1 . 1 30 30 DT H2' H 1 2.433 0.0 . 1 . . 739 . A 30 DT H2' . 34525 1 201 . 1 . 1 30 30 DT H2'' H 1 2.644 . . 1 . . 740 . A 30 DT H2'' . 34525 1 202 . 1 . 1 30 30 DT H3' H 1 5.054 . . 1 . . 806 . A 30 DT H3' . 34525 1 203 . 1 . 1 30 30 DT H6 H 1 7.815 0.002 . 1 . . 546 . A 30 DT H6 . 34525 1 204 . 1 . 1 30 30 DT H71 H 1 1.958 . . 1 . . 702 . A 30 DT H71 . 34525 1 205 . 1 . 1 30 30 DT H72 H 1 1.958 . . 1 . . 702 . A 30 DT H72 . 34525 1 206 . 1 . 1 30 30 DT H73 H 1 1.958 . . 1 . . 702 . A 30 DT H73 . 34525 1 207 . 1 . 1 31 31 DG H1 H 1 11.574 0.003 . 1 . . 516 . A 31 DG H1 . 34525 1 208 . 1 . 1 31 31 DG H1' H 1 5.826 0.001 . 1 . . 534 . A 31 DG H1' . 34525 1 209 . 1 . 1 31 31 DG H2' H 1 2.176 0.002 . 1 . . 767 . A 31 DG H2' . 34525 1 210 . 1 . 1 31 31 DG H2'' H 1 2.670 0.001 . 1 . . 770 . A 31 DG H2'' . 34525 1 211 . 1 . 1 31 31 DG H3' H 1 5.076 0.002 . 1 . . 800 . A 31 DG H3' . 34525 1 212 . 1 . 1 31 31 DG H8 H 1 7.718 0.001 . 1 . . 535 . A 31 DG H8 . 34525 1 213 . 1 . 1 32 32 DG H1 H 1 11.468 0.002 . 1 . . 517 . A 32 DG H1 . 34525 1 214 . 1 . 1 32 32 DG H1' H 1 5.927 0.001 . 1 . . 532 . A 32 DG H1' . 34525 1 215 . 1 . 1 32 32 DG H2' H 1 2.392 0.001 . 1 . . 769 . A 32 DG H2' . 34525 1 216 . 1 . 1 32 32 DG H2'' H 1 2.656 0.002 . 1 . . 768 . A 32 DG H2'' . 34525 1 217 . 1 . 1 32 32 DG H3' H 1 5.054 0.003 . 1 . . 795 . A 32 DG H3' . 34525 1 218 . 1 . 1 32 32 DG H8 H 1 7.898 0.001 . 1 . . 525 . A 32 DG H8 . 34525 1 219 . 1 . 1 33 33 DG H1 H 1 11.226 0.003 . 1 . . 518 . A 33 DG H1 . 34525 1 220 . 1 . 1 33 33 DG H1' H 1 6.194 0.001 . 1 . . 533 . A 33 DG H1' . 34525 1 221 . 1 . 1 33 33 DG H2' H 1 2.637 0.004 . 1 . . 772 . A 33 DG H2' . 34525 1 222 . 1 . 1 33 33 DG H2'' H 1 2.742 0.004 . 1 . . 771 . A 33 DG H2'' . 34525 1 223 . 1 . 1 33 33 DG H3' H 1 4.928 0.005 . 1 . . 801 . A 33 DG H3' . 34525 1 224 . 1 . 1 33 33 DG H8 H 1 7.648 0.003 . 1 . . 524 . A 33 DG H8 . 34525 1 225 . 1 . 1 34 34 DT H1' H 1 5.983 . . 1 . . 537 . A 34 DT H1' . 34525 1 226 . 1 . 1 34 34 DT H2' H 1 1.908 . . 1 . . 722 . A 34 DT H2' . 34525 1 227 . 1 . 1 34 34 DT H2'' H 1 2.241 . . 1 . . 723 . A 34 DT H2'' . 34525 1 228 . 1 . 1 34 34 DT H3' H 1 4.591 0.001 . 1 . . 802 . A 34 DT H3' . 34525 1 229 . 1 . 1 34 34 DT H6 H 1 7.405 0.001 . 1 . . 538 . A 34 DT H6 . 34525 1 230 . 1 . 1 34 34 DT H71 H 1 1.761 0.001 . 1 . . 697 . A 34 DT H71 . 34525 1 231 . 1 . 1 34 34 DT H72 H 1 1.761 0.001 . 1 . . 697 . A 34 DT H72 . 34525 1 232 . 1 . 1 34 34 DT H73 H 1 1.761 0.001 . 1 . . 697 . A 34 DT H73 . 34525 1 233 . 1 . 1 35 35 DA H1' H 1 5.842 0.001 . 1 . . 549 . A 35 DA H1' . 34525 1 234 . 1 . 1 35 35 DA H2 H 1 7.517 0.002 . 1 . . 803 . A 35 DA H2 . 34525 1 235 . 1 . 1 35 35 DA H2' H 1 2.039 0.001 . 1 . . 774 . A 35 DA H2' . 34525 1 236 . 1 . 1 35 35 DA H2'' H 1 2.178 0.003 . 1 . . 773 . A 35 DA H2'' . 34525 1 237 . 1 . 1 35 35 DA H8 H 1 7.657 0.001 . 1 . . 539 . A 35 DA H8 . 34525 1 stop_ save_