data_19925 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19925 _Entry.Title ; Solution NMR structure of DNA dodecamer with A:C mismatch ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-04-18 _Entry.Accession_date 2014-04-18 _Entry.Last_release_date 2014-05-23 _Entry.Original_release_date 2014-05-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Patrick Donahue . S. . . 19925 2 Marta Szulik . W. . . 19925 3 Michael Stone . P. . . 19925 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19925 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DNA . 19925 dodecamer . 19925 mismatch . 19925 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19925 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 66 19925 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-09-08 . original BMRB . 19925 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19917 'DNA dodecamer containing the 5-hydroxycytosine' 19925 PDB 2MO7 'BMRB Entry Tracking System' 19925 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19925 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Characterization of 5-hydroxycytosine in DNA ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Marta Szulik . . . . 19925 1 2 Patrick Donahue . . . . 19925 1 3 Michael Stone . . . . 19925 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19925 _Assembly.ID 1 _Assembly.Name 'DNA dodecamer with A:C mismatch' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 "DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*CP*GP*CP*G)-3')_1" 1 $DNA_(5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*CP*GP*CP*G)-3') A . yes native no no . . . 19925 1 2 "DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*CP*GP*CP*G)-3')_2" 1 $DNA_(5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*CP*GP*CP*G)-3') B . yes native no no . . . 19925 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DNA_(5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*CP*GP*CP*G)-3') _Entity.Sf_category entity _Entity.Sf_framecode DNA_(5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*CP*GP*CP*G)-3') _Entity.Entry_ID 19925 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DNA_(5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*CP*GP*CP*G)-3') _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; CGCAAATTCGCG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 12 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3647.422 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 DC . 19925 1 2 2 DG . 19925 1 3 3 DC . 19925 1 4 4 DA . 19925 1 5 5 DA . 19925 1 6 6 DA . 19925 1 7 7 DT . 19925 1 8 8 DT . 19925 1 9 9 DC . 19925 1 10 10 DG . 19925 1 11 11 DC . 19925 1 12 12 DG . 19925 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . DC 1 1 19925 1 . DG 2 2 19925 1 . DC 3 3 19925 1 . DA 4 4 19925 1 . DA 5 5 19925 1 . DA 6 6 19925 1 . DT 7 7 19925 1 . DT 8 8 19925 1 . DC 9 9 19925 1 . DG 10 10 19925 1 . DC 11 11 19925 1 . DG 12 12 19925 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 19925 _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 $DNA_(5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*CP*GP*CP*G)-3') . . organism . 'Homo sapiens' . . . . . Homo sapiens . . . . . . . . . . . . . 19925 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 19925 _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 $DNA_(5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*CP*GP*CP*G)-3') . 'chemical synthesis' . . . . . . . . . . . . . . . . 19925 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19925 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 "DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*CP*GP*CP*G)-3')" 'natural abundance' . . 1 $DNA_(5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*CP*GP*CP*G)-3') . . 100 . . mM . . . . 19925 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 19925 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19925 1 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 19925 1 5 'sodium azide' 'natural abundance' . . . . . . 11 . . mM . . . . 19925 1 6 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 19925 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 19925 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 19925 1 pH 6.0 . pH 19925 1 pressure 1 . atm 19925 1 temperature 288 . K 19925 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 19925 _Software.ID 1 _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' . . 19925 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19925 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19925 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19925 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19925 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19925 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19925 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19925 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19925 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 19925 _NMR_spectrometer_list.ID 1 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 spectrometer_1 Bruker Avance . 900 . . . 19925 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 19925 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19925 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19925 _Chem_shift_reference.ID 1 _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 4.7 internal direct 1 . . . . . 19925 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19925 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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' . . . 19925 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 DC H1' H 1 5.596 . . 1 . . . . A 1 DC H1' . 19925 1 2 . 1 1 1 1 DC H2' H 1 1.861 . . 1 . . . . A 1 DC H2' . 19925 1 3 . 1 1 1 1 DC H2'' H 1 2.270 . . 1 . . . . A 1 DC H2'' . 19925 1 4 . 1 1 1 1 DC H3' H 1 4.547 . . 1 . . . . A 1 DC H3' . 19925 1 5 . 1 1 1 1 DC H5 H 1 5.745 . . 1 . . . . A 1 DC H5 . 19925 1 6 . 1 1 1 1 DC H6 H 1 7.492 . . 1 . . . . A 1 DC H6 . 19925 1 7 . 1 1 2 2 DG H1' H 1 5.775 . . 1 . . . . A 2 DG H1' . 19925 1 8 . 1 1 2 2 DG H2' H 1 2.502 . . 1 . . . . A 2 DG H2' . 19925 1 9 . 1 1 2 2 DG H2'' H 1 2.606 . . 1 . . . . A 2 DG H2'' . 19925 1 10 . 1 1 2 2 DG H3' H 1 4.823 . . 1 . . . . A 2 DG H3' . 19925 1 11 . 1 1 2 2 DG H8 H 1 7.809 . . 1 . . . . A 2 DG H8 . 19925 1 12 . 1 1 3 3 DC H1' H 1 5.382 . . 1 . . . . A 3 DC H1' . 19925 1 13 . 1 1 3 3 DC H2' H 1 2.031 . . 1 . . . . A 3 DC H2' . 19925 1 14 . 1 1 3 3 DC H2'' H 1 2.229 . . 1 . . . . A 3 DC H2'' . 19925 1 15 . 1 1 3 3 DC H5 H 1 5.284 . . 1 . . . . A 3 DC H5 . 19925 1 16 . 1 1 3 3 DC H6 H 1 7.308 . . 1 . . . . A 3 DC H6 . 19925 1 17 . 1 1 4 4 DA H1' H 1 5.914 . . 1 . . . . A 4 DA H1' . 19925 1 18 . 1 1 4 4 DA H2 H 1 7.562 . . 1 . . . . A 4 DA H2 . 19925 1 19 . 1 1 4 4 DA H2' H 1 2.490 . . 1 . . . . A 4 DA H2' . 19925 1 20 . 1 1 4 4 DA H2'' H 1 2.823 . . 1 . . . . A 4 DA H2'' . 19925 1 21 . 1 1 4 4 DA H3' H 1 4.908 . . 1 . . . . A 4 DA H3' . 19925 1 22 . 1 1 4 4 DA H8 H 1 8.230 . . 1 . . . . A 4 DA H8 . 19925 1 23 . 1 1 5 5 DA H1' H 1 5.707 . . 1 . . . . A 5 DA H1' . 19925 1 24 . 1 1 5 5 DA H2 H 1 7.046 . . 1 . . . . A 5 DA H2 . 19925 1 25 . 1 1 5 5 DA H2' H 1 2.476 . . 1 . . . . A 5 DA H2' . 19925 1 26 . 1 1 5 5 DA H2'' H 1 2.766 . . 1 . . . . A 5 DA H2'' . 19925 1 27 . 1 1 5 5 DA H3' H 1 4.895 . . 1 . . . . A 5 DA H3' . 19925 1 28 . 1 1 5 5 DA H8 H 1 7.981 . . 1 . . . . A 5 DA H8 . 19925 1 29 . 1 1 6 6 DA H1' H 1 5.951 . . 1 . . . . A 6 DA H1' . 19925 1 30 . 1 1 6 6 DA H2 H 1 7.448 . . 1 . . . . A 6 DA H2 . 19925 1 31 . 1 1 6 6 DA H2' H 1 2.403 . . 1 . . . . A 6 DA H2' . 19925 1 32 . 1 1 6 6 DA H2'' H 1 2.755 . . 1 . . . . A 6 DA H2'' . 19925 1 33 . 1 1 6 6 DA H3' H 1 4.848 . . 1 . . . . A 6 DA H3' . 19925 1 34 . 1 1 6 6 DA H8 H 1 7.956 . . 1 . . . . A 6 DA H8 . 19925 1 35 . 1 1 7 7 DT H1' H 1 5.749 . . 1 . . . . A 7 DT H1' . 19925 1 36 . 1 1 7 7 DT H2' H 1 1.818 . . 1 . . . . A 7 DT H2' . 19925 1 37 . 1 1 7 7 DT H2'' H 1 2.414 . . 1 . . . . A 7 DT H2'' . 19925 1 38 . 1 1 7 7 DT H3' H 1 4.666 . . 1 . . . . A 7 DT H3' . 19925 1 39 . 1 1 7 7 DT H6 H 1 6.960 . . 1 . . . . A 7 DT H6 . 19925 1 40 . 1 1 7 7 DT H71 H 1 1.087 . . 1 . . . . A 7 DT H71 . 19925 1 41 . 1 1 7 7 DT H72 H 1 1.087 . . 1 . . . . A 7 DT H72 . 19925 1 42 . 1 1 7 7 DT H73 H 1 1.087 . . 1 . . . . A 7 DT H73 . 19925 1 43 . 1 1 8 8 DT H1' H 1 6.002 . . 1 . . . . A 8 DT H1' . 19925 1 44 . 1 1 8 8 DT H2' H 1 1.985 . . 1 . . . . A 8 DT H2' . 19925 1 45 . 1 1 8 8 DT H2'' H 1 2.425 . . 1 . . . . A 8 DT H2'' . 19925 1 46 . 1 1 8 8 DT H3' H 1 4.730 . . 1 . . . . A 8 DT H3' . 19925 1 47 . 1 1 8 8 DT H6 H 1 7.246 . . 1 . . . . A 8 DT H6 . 19925 1 48 . 1 1 8 8 DT H71 H 1 1.328 . . 1 . . . . A 8 DT H71 . 19925 1 49 . 1 1 8 8 DT H72 H 1 1.328 . . 1 . . . . A 8 DT H72 . 19925 1 50 . 1 1 8 8 DT H73 H 1 1.328 . . 1 . . . . A 8 DT H73 . 19925 1 51 . 1 1 9 9 DC H1' H 1 5.563 . . 1 . . . . A 9 DC H1' . 19925 1 52 . 1 1 9 9 DC H2' H 1 1.701 . . 1 . . . . A 9 DC H2' . 19925 1 53 . 1 1 9 9 DC H2'' H 1 2.123 . . 1 . . . . A 9 DC H2'' . 19925 1 54 . 1 1 9 9 DC H3' H 1 4.676 . . 1 . . . . A 9 DC H3' . 19925 1 55 . 1 1 9 9 DC H5 H 1 5.704 . . 1 . . . . A 9 DC H5 . 19925 1 56 . 1 1 9 9 DC H6 H 1 7.413 . . 1 . . . . A 9 DC H6 . 19925 1 57 . 1 1 10 10 DG H1' H 1 5.684 . . 1 . . . . A 10 DG H1' . 19925 1 58 . 1 1 10 10 DG H2' H 1 2.518 . . 1 . . . . A 10 DG H2' . 19925 1 59 . 1 1 10 10 DG H2'' H 1 2.572 . . 1 . . . . A 10 DG H2'' . 19925 1 60 . 1 1 10 10 DG H3' H 1 4.830 . . 1 . . . . A 10 DG H3' . 19925 1 61 . 1 1 10 10 DG H8 H 1 7.825 . . 1 . . . . A 10 DG H8 . 19925 1 62 . 1 1 11 11 DC H1' H 1 5.578 . . 1 . . . . A 11 DC H1' . 19925 1 63 . 1 1 11 11 DC H2' H 1 1.747 . . 1 . . . . A 11 DC H2' . 19925 1 64 . 1 1 11 11 DC H2'' H 1 2.171 . . 1 . . . . A 11 DC H2'' . 19925 1 65 . 1 1 11 11 DC H3' H 1 4.641 . . 1 . . . . A 11 DC H3' . 19925 1 66 . 1 1 11 11 DC H5 H 1 5.263 . . 1 . . . . A 11 DC H5 . 19925 1 67 . 1 1 11 11 DC H6 H 1 7.193 . . 1 . . . . A 11 DC H6 . 19925 1 68 . 1 1 12 12 DG H1' H 1 5.983 . . 1 . . . . A 12 DG H1' . 19925 1 69 . 1 1 12 12 DG H2' H 1 2.187 . . 1 . . . . A 12 DG H2' . 19925 1 70 . 1 1 12 12 DG H2'' H 1 2.448 . . 1 . . . . A 12 DG H2'' . 19925 1 71 . 1 1 12 12 DG H3' H 1 4.503 . . 1 . . . . A 12 DG H3' . 19925 1 72 . 1 1 12 12 DG H8 H 1 7.783 . . 1 . . . . A 12 DG H8 . 19925 1 stop_ save_