data_34302 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34302 _Entry.Title ; The major G-quadruplex form of HIV-1 LTR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-07-11 _Entry.Accession_date 2018-07-11 _Entry.Last_release_date 2018-07-13 _Entry.Original_release_date 2018-07-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _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_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34302 stop_ 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 A. Phan A. T. . . 34302 2 B. Heddi B. . . . 34302 3 E. Butovskaya E. . . . 34302 4 B. Bakalar B. . . . 34302 5 S. Richter S. N. . . 34302 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DNA . 34302 'G-quadruplex structure' . 34302 'HIV-1 LTR' . 34302 'stem loop' . 34302 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34302 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 229 34302 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 . . 2019-07-31 2018-07-11 update BMRB 'update entry citation' 34302 1 . . 2018-10-12 2018-07-11 original author 'original release' 34302 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6H1K . 34302 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34302 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30299955 _Citation.Full_citation . _Citation.Title ; Major G-Quadruplex Form of HIV-1 LTR Reveals a (3 + 1) Folding Topology Containing a Stem-Loop ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 140 _Citation.Journal_issue 42 _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 13654 _Citation.Page_last 13662 _Citation.Year 2018 _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 E. Butovskaya E. . . . 34302 1 2 B. Heddi B. . . . 34302 1 3 B. Bakalar B. . . . 34302 1 4 S. Richter S. N. . . 34302 1 5 A. Phan A. T. . . 34302 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34302 _Assembly.ID 1 _Assembly.Name 'DNA (28-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 entity_1 1 $entity_1 A A yes . . . . . . 34302 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34302 _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 ; GGGAGGCGTGGCCTGGGCGG GACTGGGG ; _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 28 _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 8865.647 _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 . 34302 1 2 . DG . 34302 1 3 . DG . 34302 1 4 . DA . 34302 1 5 . DG . 34302 1 6 . DG . 34302 1 7 . DC . 34302 1 8 . DG . 34302 1 9 . DT . 34302 1 10 . DG . 34302 1 11 . DG . 34302 1 12 . DC . 34302 1 13 . DC . 34302 1 14 . DT . 34302 1 15 . DG . 34302 1 16 . DG . 34302 1 17 . DG . 34302 1 18 . DC . 34302 1 19 . DG . 34302 1 20 . DG . 34302 1 21 . DG . 34302 1 22 . DA . 34302 1 23 . DC . 34302 1 24 . DT . 34302 1 25 . DG . 34302 1 26 . DG . 34302 1 27 . DG . 34302 1 28 . DG . 34302 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 34302 1 . DG 2 2 34302 1 . DG 3 3 34302 1 . DA 4 4 34302 1 . DG 5 5 34302 1 . DG 6 6 34302 1 . DC 7 7 34302 1 . DG 8 8 34302 1 . DT 9 9 34302 1 . DG 10 10 34302 1 . DG 11 11 34302 1 . DC 12 12 34302 1 . DC 13 13 34302 1 . DT 14 14 34302 1 . DG 15 15 34302 1 . DG 16 16 34302 1 . DG 17 17 34302 1 . DC 18 18 34302 1 . DG 19 19 34302 1 . DG 20 20 34302 1 . DG 21 21 34302 1 . DA 22 22 34302 1 . DC 23 23 34302 1 . DT 24 24 34302 1 . DG 25 25 34302 1 . DG 26 26 34302 1 . DG 27 27 34302 1 . DG 28 28 34302 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 34302 _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 . 11676 organism . 'Human immunodeficiency virus 1' HIV-1 . . Viruses . Lentivirus HIV-1 . . . . . . . . . . . . . 34302 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 34302 _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' . . . . . . . . . . . . . . . . 34302 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34302 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '70 mM NA potassium chloride, 20 mM NA potassium phosphate, 1 mM DNA (28-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 'potassium chloride' 'natural abundance' . . . . . . 70 . . mM . . . . 34302 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34302 1 3 'DNA (28-MER)' 'natural abundance' 1 $assembly 1 $entity_1 . . 1 . . mM . . . . 34302 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 34302 _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' 90 . mM 34302 1 pH 7.0 . pH 34302 1 pressure 1 . Pa 34302 1 temperature 298 . K 34302 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34302 _Software.ID 1 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 34302 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34302 1 . 'structure calculation' 34302 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34302 _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 . . 34302 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34302 2 . 'peak picking' 34302 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34302 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34302 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 34302 _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 AvanceII . 600 . . . 34302 1 2 NMR_spectrometer_2 Bruker AvanceII . 700 . . . 34302 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 34302 _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 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34302 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34302 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34302 1 4 '2D 1H-13C HMBC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34302 1 5 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34302 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 34302 _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 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34302 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 34302 _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' . . . 34302 1 2 '2D 1H-1H TOCSY' . . . 34302 1 3 '2D 1H-13C HSQC' . . . 34302 1 4 '2D 1H-13C HMBC' . . . 34302 1 5 '2D 1H-13C HSQC aromatic' . . . 34302 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 DG H1 H 1 11.801 0.002 . . . . . . A 1 DG H1 . 34302 1 2 . 1 1 1 1 DG H1' H 1 5.854 0.001 . . . . . . A 1 DG H1' . 34302 1 3 . 1 1 1 1 DG H2' H 1 2.692 0.002 . . . . . . A 1 DG H2' . 34302 1 4 . 1 1 1 1 DG H2'' H 1 2.771 0.002 . . . . . . A 1 DG H2'' . 34302 1 5 . 1 1 1 1 DG H3' H 1 4.976 0.002 . . . . . . A 1 DG H3' . 34302 1 6 . 1 1 1 1 DG H4' H 1 4.362 0.075 . . . . . . A 1 DG H4' . 34302 1 7 . 1 1 1 1 DG H8 H 1 7.173 0.001 . . . . . . A 1 DG H8 . 34302 1 8 . 1 1 2 2 DG H1 H 1 11.543 0.002 . . . . . . A 2 DG H1 . 34302 1 9 . 1 1 2 2 DG H1' H 1 5.794 0.002 . . . . . . A 2 DG H1' . 34302 1 10 . 1 1 2 2 DG H2' H 1 2.455 0.003 . . . . . . A 2 DG H2' . 34302 1 11 . 1 1 2 2 DG H2'' H 1 2.683 0.001 . . . . . . A 2 DG H2'' . 34302 1 12 . 1 1 2 2 DG H3' H 1 4.994 0.003 . . . . . . A 2 DG H3' . 34302 1 13 . 1 1 2 2 DG H4' H 1 4.390 0.004 . . . . . . A 2 DG H4' . 34302 1 14 . 1 1 2 2 DG H8 H 1 7.790 0.001 . . . . . . A 2 DG H8 . 34302 1 15 . 1 1 3 3 DG H1' H 1 5.318 0.001 . . . . . . A 3 DG H1' . 34302 1 16 . 1 1 3 3 DG H2' H 1 2.242 0.003 . . . . . . A 3 DG H2' . 34302 1 17 . 1 1 3 3 DG H2'' H 1 2.334 0.001 . . . . . . A 3 DG H2'' . 34302 1 18 . 1 1 3 3 DG H3' H 1 4.863 0.003 . . . . . . A 3 DG H3' . 34302 1 19 . 1 1 3 3 DG H4' H 1 4.190 0.005 . . . . . . A 3 DG H4' . 34302 1 20 . 1 1 3 3 DG H8 H 1 7.570 0.002 . . . . . . A 3 DG H8 . 34302 1 21 . 1 1 4 4 DA H1' H 1 5.467 0.002 . . . . . . A 4 DA H1' . 34302 1 22 . 1 1 4 4 DA H2 H 1 7.485 0.004 . . . . . . A 4 DA H2 . 34302 1 23 . 1 1 4 4 DA H2' H 1 2.283 0.002 . . . . . . A 4 DA H2' . 34302 1 24 . 1 1 4 4 DA H2'' H 1 2.456 0.001 . . . . . . A 4 DA H2'' . 34302 1 25 . 1 1 4 4 DA H3' H 1 4.803 0.002 . . . . . . A 4 DA H3' . 34302 1 26 . 1 1 4 4 DA H4' H 1 4.116 0.005 . . . . . . A 4 DA H4' . 34302 1 27 . 1 1 4 4 DA H5' H 1 4.015 0.005 . . . . . . A 4 DA H5' . 34302 1 28 . 1 1 4 4 DA H5'' H 1 3.979 0.002 . . . . . . A 4 DA H5'' . 34302 1 29 . 1 1 4 4 DA H8 H 1 7.836 0.001 . . . . . . A 4 DA H8 . 34302 1 30 . 1 1 5 5 DG H1 H 1 12.713 0.002 . . . . . . A 5 DG H1 . 34302 1 31 . 1 1 5 5 DG H1' H 1 5.498 0.002 . . . . . . A 5 DG H1' . 34302 1 32 . 1 1 5 5 DG H2' H 1 2.553 0.002 . . . . . . A 5 DG H2' . 34302 1 33 . 1 1 5 5 DG H2'' H 1 2.649 0.002 . . . . . . A 5 DG H2'' . 34302 1 34 . 1 1 5 5 DG H3' H 1 4.901 0.003 . . . . . . A 5 DG H3' . 34302 1 35 . 1 1 5 5 DG H4' H 1 4.227 0.003 . . . . . . A 5 DG H4' . 34302 1 36 . 1 1 5 5 DG H5' H 1 4.026 0.002 . . . . . . A 5 DG H5' . 34302 1 37 . 1 1 5 5 DG H5'' H 1 3.909 0.004 . . . . . . A 5 DG H5'' . 34302 1 38 . 1 1 5 5 DG H8 H 1 7.668 0.002 . . . . . . A 5 DG H8 . 34302 1 39 . 1 1 6 6 DG H1 H 1 12.855 0.003 . . . . . . A 6 DG H1 . 34302 1 40 . 1 1 6 6 DG H1' H 1 5.780 0.002 . . . . . . A 6 DG H1' . 34302 1 41 . 1 1 6 6 DG H2' H 1 2.283 0.001 . . . . . . A 6 DG H2' . 34302 1 42 . 1 1 6 6 DG H2'' H 1 2.536 0.001 . . . . . . A 6 DG H2'' . 34302 1 43 . 1 1 6 6 DG H3' H 1 4.855 0.002 . . . . . . A 6 DG H3' . 34302 1 44 . 1 1 6 6 DG H4' H 1 4.200 0.043 . . . . . . A 6 DG H4' . 34302 1 45 . 1 1 6 6 DG H8 H 1 7.502 0.001 . . . . . . A 6 DG H8 . 34302 1 46 . 1 1 7 7 DC H1' H 1 5.913 0.001 . . . . . . A 7 DC H1' . 34302 1 47 . 1 1 7 7 DC H2' H 1 1.661 0.003 . . . . . . A 7 DC H2' . 34302 1 48 . 1 1 7 7 DC H2'' H 1 2.020 0.003 . . . . . . A 7 DC H2'' . 34302 1 49 . 1 1 7 7 DC H3' H 1 4.717 0.004 . . . . . . A 7 DC H3' . 34302 1 50 . 1 1 7 7 DC H4' H 1 4.022 0.001 . . . . . . A 7 DC H4' . 34302 1 51 . 1 1 7 7 DC H5 H 1 5.217 0.002 . . . . . . A 7 DC H5 . 34302 1 52 . 1 1 7 7 DC H5'' H 1 4.137 0.001 . . . . . . A 7 DC H5'' . 34302 1 53 . 1 1 7 7 DC H6 H 1 7.060 0.002 . . . . . . A 7 DC H6 . 34302 1 54 . 1 1 8 8 DG H1' H 1 5.894 0.003 . . . . . . A 8 DG H1' . 34302 1 55 . 1 1 8 8 DG H2' H 1 2.666 0.001 . . . . . . A 8 DG H2' . 34302 1 56 . 1 1 8 8 DG H2'' H 1 2.601 0.001 . . . . . . A 8 DG H2'' . 34302 1 57 . 1 1 8 8 DG H3' H 1 4.842 0.002 . . . . . . A 8 DG H3' . 34302 1 58 . 1 1 8 8 DG H4' H 1 4.308 0.002 . . . . . . A 8 DG H4' . 34302 1 59 . 1 1 8 8 DG H5' H 1 3.828 0.163 . . . . . . A 8 DG H5' . 34302 1 60 . 1 1 8 8 DG H8 H 1 7.976 0.001 . . . . . . A 8 DG H8 . 34302 1 61 . 1 1 9 9 DT H1' H 1 5.780 0.004 . . . . . . A 9 DT H1' . 34302 1 62 . 1 1 9 9 DT H2' H 1 1.825 0.002 . . . . . . A 9 DT H2' . 34302 1 63 . 1 1 9 9 DT H2'' H 1 2.044 0.002 . . . . . . A 9 DT H2'' . 34302 1 64 . 1 1 9 9 DT H3' H 1 4.597 0.001 . . . . . . A 9 DT H3' . 34302 1 65 . 1 1 9 9 DT H4' H 1 3.467 0.014 . . . . . . A 9 DT H4' . 34302 1 66 . 1 1 9 9 DT H5' H 1 3.703 0.012 . . . . . . A 9 DT H5' . 34302 1 67 . 1 1 9 9 DT H5'' H 1 3.727 0.002 . . . . . . A 9 DT H5'' . 34302 1 68 . 1 1 9 9 DT H6 H 1 7.160 0.001 . . . . . . A 9 DT H6 . 34302 1 69 . 1 1 9 9 DT H71 H 1 1.440 0.002 . . . . . . A 9 DT H71 . 34302 1 70 . 1 1 9 9 DT H72 H 1 1.440 0.002 . . . . . . A 9 DT H72 . 34302 1 71 . 1 1 9 9 DT H73 H 1 1.440 0.002 . . . . . . A 9 DT H73 . 34302 1 72 . 1 1 10 10 DG H1' H 1 5.586 0.002 . . . . . . A 10 DG H1' . 34302 1 73 . 1 1 10 10 DG H2' H 1 2.530 0.003 . . . . . . A 10 DG H2' . 34302 1 74 . 1 1 10 10 DG H2'' H 1 2.492 0.003 . . . . . . A 10 DG H2'' . 34302 1 75 . 1 1 10 10 DG H3' H 1 4.722 0.004 . . . . . . A 10 DG H3' . 34302 1 76 . 1 1 10 10 DG H4' H 1 4.109 0.003 . . . . . . A 10 DG H4' . 34302 1 77 . 1 1 10 10 DG H5' H 1 3.865 0.001 . . . . . . A 10 DG H5' . 34302 1 78 . 1 1 10 10 DG H5'' H 1 3.721 0.003 . . . . . . A 10 DG H5'' . 34302 1 79 . 1 1 10 10 DG H8 H 1 7.743 0.001 . . . . . . A 10 DG H8 . 34302 1 80 . 1 1 11 11 DG H1' H 1 5.810 0.003 . . . . . . A 11 DG H1' . 34302 1 81 . 1 1 11 11 DG H2' H 1 2.610 0.000 . . . . . . A 11 DG H2' . 34302 1 82 . 1 1 11 11 DG H2'' H 1 2.713 0.002 . . . . . . A 11 DG H2'' . 34302 1 83 . 1 1 11 11 DG H3' H 1 4.907 0.005 . . . . . . A 11 DG H3' . 34302 1 84 . 1 1 11 11 DG H4' H 1 4.360 0.003 . . . . . . A 11 DG H4' . 34302 1 85 . 1 1 11 11 DG H5' H 1 4.217 0.166 . . . . . . A 11 DG H5' . 34302 1 86 . 1 1 11 11 DG H8 H 1 7.943 0.001 . . . . . . A 11 DG H8 . 34302 1 87 . 1 1 12 12 DC H1' H 1 5.974 0.002 . . . . . . A 12 DC H1' . 34302 1 88 . 1 1 12 12 DC H2' H 1 2.108 0.002 . . . . . . A 12 DC H2' . 34302 1 89 . 1 1 12 12 DC H2'' H 1 2.422 0.002 . . . . . . A 12 DC H2'' . 34302 1 90 . 1 1 12 12 DC H3' H 1 4.754 0.003 . . . . . . A 12 DC H3' . 34302 1 91 . 1 1 12 12 DC H4' H 1 4.216 0.003 . . . . . . A 12 DC H4' . 34302 1 92 . 1 1 12 12 DC H5 H 1 5.391 0.001 . . . . . . A 12 DC H5 . 34302 1 93 . 1 1 12 12 DC H6 H 1 7.449 0.002 . . . . . . A 12 DC H6 . 34302 1 94 . 1 1 13 13 DC H1' H 1 6.061 0.003 . . . . . . A 13 DC H1' . 34302 1 95 . 1 1 13 13 DC H2' H 1 1.876 0.002 . . . . . . A 13 DC H2' . 34302 1 96 . 1 1 13 13 DC H2'' H 1 2.002 0.002 . . . . . . A 13 DC H2'' . 34302 1 97 . 1 1 13 13 DC H3' H 1 4.632 0.003 . . . . . . A 13 DC H3' . 34302 1 98 . 1 1 13 13 DC H4' H 1 4.194 0.001 . . . . . . A 13 DC H4' . 34302 1 99 . 1 1 13 13 DC H5 H 1 5.578 0.003 . . . . . . A 13 DC H5 . 34302 1 100 . 1 1 13 13 DC H5' H 1 3.957 0.003 . . . . . . A 13 DC H5' . 34302 1 101 . 1 1 13 13 DC H6 H 1 7.464 0.002 . . . . . . A 13 DC H6 . 34302 1 102 . 1 1 14 14 DT H1' H 1 5.836 0.004 . . . . . . A 14 DT H1' . 34302 1 103 . 1 1 14 14 DT H2' H 1 2.209 0.001 . . . . . . A 14 DT H2' . 34302 1 104 . 1 1 14 14 DT H2'' H 1 2.304 0.004 . . . . . . A 14 DT H2'' . 34302 1 105 . 1 1 14 14 DT H3' H 1 4.827 0.002 . . . . . . A 14 DT H3' . 34302 1 106 . 1 1 14 14 DT H4' H 1 3.812 0.005 . . . . . . A 14 DT H4' . 34302 1 107 . 1 1 14 14 DT H5' H 1 4.079 0.002 . . . . . . A 14 DT H5' . 34302 1 108 . 1 1 14 14 DT H6 H 1 7.243 0.001 . . . . . . A 14 DT H6 . 34302 1 109 . 1 1 14 14 DT H71 H 1 1.583 0.004 . . . . . . A 14 DT H71 . 34302 1 110 . 1 1 14 14 DT H72 H 1 1.583 0.004 . . . . . . A 14 DT H72 . 34302 1 111 . 1 1 14 14 DT H73 H 1 1.583 0.004 . . . . . . A 14 DT H73 . 34302 1 112 . 1 1 15 15 DG H1 H 1 12.006 0.002 . . . . . . A 15 DG H1 . 34302 1 113 . 1 1 15 15 DG H1' H 1 6.087 0.003 . . . . . . A 15 DG H1' . 34302 1 114 . 1 1 15 15 DG H2' H 1 3.577 0.002 . . . . . . A 15 DG H2' . 34302 1 115 . 1 1 15 15 DG H2'' H 1 3.057 0.001 . . . . . . A 15 DG H2'' . 34302 1 116 . 1 1 15 15 DG H3' H 1 4.977 0.001 . . . . . . A 15 DG H3' . 34302 1 117 . 1 1 15 15 DG H4' H 1 4.444 0.001 . . . . . . A 15 DG H4' . 34302 1 118 . 1 1 15 15 DG H5' H 1 4.444 0.002 . . . . . . A 15 DG H5' . 34302 1 119 . 1 1 15 15 DG H5'' H 1 4.393 0.008 . . . . . . A 15 DG H5'' . 34302 1 120 . 1 1 15 15 DG H8 H 1 7.490 0.001 . . . . . . A 15 DG H8 . 34302 1 121 . 1 1 16 16 DG H1 H 1 11.662 0.003 . . . . . . A 16 DG H1 . 34302 1 122 . 1 1 16 16 DG H1' H 1 6.102 0.003 . . . . . . A 16 DG H1' . 34302 1 123 . 1 1 16 16 DG H2' H 1 2.751 0.002 . . . . . . A 16 DG H2' . 34302 1 124 . 1 1 16 16 DG H2'' H 1 3.045 0.005 . . . . . . A 16 DG H2'' . 34302 1 125 . 1 1 16 16 DG H3' H 1 5.128 0.004 . . . . . . A 16 DG H3' . 34302 1 126 . 1 1 16 16 DG H4' H 1 4.561 0.004 . . . . . . A 16 DG H4' . 34302 1 127 . 1 1 16 16 DG H5' H 1 4.482 0.104 . . . . . . A 16 DG H5' . 34302 1 128 . 1 1 16 16 DG H5'' H 1 4.296 0.002 . . . . . . A 16 DG H5'' . 34302 1 129 . 1 1 16 16 DG H8 H 1 8.200 0.001 . . . . . . A 16 DG H8 . 34302 1 130 . 1 1 17 17 DG H1 H 1 11.116 0.003 . . . . . . A 17 DG H1 . 34302 1 131 . 1 1 17 17 DG H1' H 1 6.522 0.002 . . . . . . A 17 DG H1' . 34302 1 132 . 1 1 17 17 DG H2' H 1 2.786 0.003 . . . . . . A 17 DG H2' . 34302 1 133 . 1 1 17 17 DG H2'' H 1 2.699 0.001 . . . . . . A 17 DG H2'' . 34302 1 134 . 1 1 17 17 DG H3' H 1 5.156 0.004 . . . . . . A 17 DG H3' . 34302 1 135 . 1 1 17 17 DG H4' H 1 4.692 0.004 . . . . . . A 17 DG H4' . 34302 1 136 . 1 1 17 17 DG H5' H 1 4.466 0.000 . . . . . . A 17 DG H5' . 34302 1 137 . 1 1 17 17 DG H5'' H 1 4.396 0.000 . . . . . . A 17 DG H5'' . 34302 1 138 . 1 1 17 17 DG H8 H 1 7.771 0.002 . . . . . . A 17 DG H8 . 34302 1 139 . 1 1 18 18 DC H1' H 1 6.488 0.002 . . . . . . A 18 DC H1' . 34302 1 140 . 1 1 18 18 DC H2' H 1 2.371 0.001 . . . . . . A 18 DC H2' . 34302 1 141 . 1 1 18 18 DC H2'' H 1 2.811 0.001 . . . . . . A 18 DC H2'' . 34302 1 142 . 1 1 18 18 DC H3' H 1 5.079 0.003 . . . . . . A 18 DC H3' . 34302 1 143 . 1 1 18 18 DC H4' H 1 4.837 0.007 . . . . . . A 18 DC H4' . 34302 1 144 . 1 1 18 18 DC H5 H 1 6.192 0.000 . . . . . . A 18 DC H5 . 34302 1 145 . 1 1 18 18 DC H5' H 1 4.389 0.002 . . . . . . A 18 DC H5' . 34302 1 146 . 1 1 18 18 DC H5'' H 1 4.331 0.000 . . . . . . A 18 DC H5'' . 34302 1 147 . 1 1 18 18 DC H6 H 1 8.034 0.002 . . . . . . A 18 DC H6 . 34302 1 148 . 1 1 19 19 DG H1 H 1 11.661 0.002 . . . . . . A 19 DG H1 . 34302 1 149 . 1 1 19 19 DG H1' H 1 5.986 0.002 . . . . . . A 19 DG H1' . 34302 1 150 . 1 1 19 19 DG H2' H 1 2.977 0.001 . . . . . . A 19 DG H2' . 34302 1 151 . 1 1 19 19 DG H2'' H 1 2.746 0.003 . . . . . . A 19 DG H2'' . 34302 1 152 . 1 1 19 19 DG H3' H 1 5.069 0.002 . . . . . . A 19 DG H3' . 34302 1 153 . 1 1 19 19 DG H4' H 1 4.219 0.000 . . . . . . A 19 DG H4' . 34302 1 154 . 1 1 19 19 DG H8 H 1 7.294 0.002 . . . . . . A 19 DG H8 . 34302 1 155 . 1 1 20 20 DG H1 H 1 11.735 0.004 . . . . . . A 20 DG H1 . 34302 1 156 . 1 1 20 20 DG H1' H 1 5.844 0.003 . . . . . . A 20 DG H1' . 34302 1 157 . 1 1 20 20 DG H2' H 1 2.628 0.000 . . . . . . A 20 DG H2' . 34302 1 158 . 1 1 20 20 DG H2'' H 1 2.629 0.000 . . . . . . A 20 DG H2'' . 34302 1 159 . 1 1 20 20 DG H3' H 1 5.057 0.004 . . . . . . A 20 DG H3' . 34302 1 160 . 1 1 20 20 DG H4' H 1 4.442 0.003 . . . . . . A 20 DG H4' . 34302 1 161 . 1 1 20 20 DG H5' H 1 4.220 0.000 . . . . . . A 20 DG H5' . 34302 1 162 . 1 1 20 20 DG H8 H 1 8.135 0.002 . . . . . . A 20 DG H8 . 34302 1 163 . 1 1 21 21 DG H1 H 1 11.580 0.003 . . . . . . A 21 DG H1 . 34302 1 164 . 1 1 21 21 DG H1' H 1 6.115 0.003 . . . . . . A 21 DG H1' . 34302 1 165 . 1 1 21 21 DG H2' H 1 2.452 0.003 . . . . . . A 21 DG H2' . 34302 1 166 . 1 1 21 21 DG H2'' H 1 2.693 0.002 . . . . . . A 21 DG H2'' . 34302 1 167 . 1 1 21 21 DG H3' H 1 4.905 0.005 . . . . . . A 21 DG H3' . 34302 1 168 . 1 1 21 21 DG H4' H 1 4.442 0.010 . . . . . . A 21 DG H4' . 34302 1 169 . 1 1 21 21 DG H8 H 1 7.277 0.002 . . . . . . A 21 DG H8 . 34302 1 170 . 1 1 22 22 DA H1' H 1 6.019 0.002 . . . . . . A 22 DA H1' . 34302 1 171 . 1 1 22 22 DA H2 H 1 8.127 0.004 . . . . . . A 22 DA H2 . 34302 1 172 . 1 1 22 22 DA H2' H 1 2.612 0.000 . . . . . . A 22 DA H2' . 34302 1 173 . 1 1 22 22 DA H2'' H 1 2.612 0.001 . . . . . . A 22 DA H2'' . 34302 1 174 . 1 1 22 22 DA H3' H 1 4.683 0.004 . . . . . . A 22 DA H3' . 34302 1 175 . 1 1 22 22 DA H4' H 1 4.293 0.007 . . . . . . A 22 DA H4' . 34302 1 176 . 1 1 22 22 DA H5' H 1 4.164 0.006 . . . . . . A 22 DA H5' . 34302 1 177 . 1 1 22 22 DA H5'' H 1 4.145 0.000 . . . . . . A 22 DA H5'' . 34302 1 178 . 1 1 22 22 DA H8 H 1 8.256 0.001 . . . . . . A 22 DA H8 . 34302 1 179 . 1 1 23 23 DC H1' H 1 5.608 0.002 . . . . . . A 23 DC H1' . 34302 1 180 . 1 1 23 23 DC H2' H 1 1.744 0.001 . . . . . . A 23 DC H2' . 34302 1 181 . 1 1 23 23 DC H2'' H 1 2.148 0.004 . . . . . . A 23 DC H2'' . 34302 1 182 . 1 1 23 23 DC H3' H 1 4.574 0.004 . . . . . . A 23 DC H3' . 34302 1 183 . 1 1 23 23 DC H4' H 1 3.841 0.025 . . . . . . A 23 DC H4' . 34302 1 184 . 1 1 23 23 DC H5 H 1 5.386 0.002 . . . . . . A 23 DC H5 . 34302 1 185 . 1 1 23 23 DC H5' H 1 3.850 0.003 . . . . . . A 23 DC H5' . 34302 1 186 . 1 1 23 23 DC H6 H 1 7.207 0.002 . . . . . . A 23 DC H6 . 34302 1 187 . 1 1 24 24 DT H1' H 1 5.614 0.002 . . . . . . A 24 DT H1' . 34302 1 188 . 1 1 24 24 DT H2' H 1 1.862 0.001 . . . . . . A 24 DT H2' . 34302 1 189 . 1 1 24 24 DT H2'' H 1 2.216 0.004 . . . . . . A 24 DT H2'' . 34302 1 190 . 1 1 24 24 DT H3' H 1 4.626 0.003 . . . . . . A 24 DT H3' . 34302 1 191 . 1 1 24 24 DT H4' H 1 3.874 0.008 . . . . . . A 24 DT H4' . 34302 1 192 . 1 1 24 24 DT H5' H 1 3.362 0.007 . . . . . . A 24 DT H5' . 34302 1 193 . 1 1 24 24 DT H5'' H 1 3.630 0.005 . . . . . . A 24 DT H5'' . 34302 1 194 . 1 1 24 24 DT H6 H 1 6.958 0.003 . . . . . . A 24 DT H6 . 34302 1 195 . 1 1 24 24 DT H71 H 1 1.471 0.002 . . . . . . A 24 DT H71 . 34302 1 196 . 1 1 24 24 DT H72 H 1 1.471 0.002 . . . . . . A 24 DT H72 . 34302 1 197 . 1 1 24 24 DT H73 H 1 1.471 0.002 . . . . . . A 24 DT H73 . 34302 1 198 . 1 1 25 25 DG H1 H 1 11.047 0.003 . . . . . . A 25 DG H1 . 34302 1 199 . 1 1 25 25 DG H1' H 1 6.132 0.002 . . . . . . A 25 DG H1' . 34302 1 200 . 1 1 25 25 DG H2' H 1 2.808 0.000 . . . . . . A 25 DG H2' . 34302 1 201 . 1 1 25 25 DG H2'' H 1 2.868 0.003 . . . . . . A 25 DG H2'' . 34302 1 202 . 1 1 25 25 DG H3' H 1 4.400 0.003 . . . . . . A 25 DG H3' . 34302 1 203 . 1 1 25 25 DG H4' H 1 3.979 0.000 . . . . . . A 25 DG H4' . 34302 1 204 . 1 1 25 25 DG H5' H 1 3.980 0.000 . . . . . . A 25 DG H5' . 34302 1 205 . 1 1 25 25 DG H8 H 1 7.245 0.006 . . . . . . A 25 DG H8 . 34302 1 206 . 1 1 26 26 DG H1 H 1 11.298 0.003 . . . . . . A 26 DG H1 . 34302 1 207 . 1 1 26 26 DG H1' H 1 5.989 0.004 . . . . . . A 26 DG H1' . 34302 1 208 . 1 1 26 26 DG H2' H 1 2.973 0.001 . . . . . . A 26 DG H2' . 34302 1 209 . 1 1 26 26 DG H2'' H 1 2.738 0.003 . . . . . . A 26 DG H2'' . 34302 1 210 . 1 1 26 26 DG H3' H 1 4.964 0.003 . . . . . . A 26 DG H3' . 34302 1 211 . 1 1 26 26 DG H4' H 1 4.126 0.002 . . . . . . A 26 DG H4' . 34302 1 212 . 1 1 26 26 DG H8 H 1 7.398 0.001 . . . . . . A 26 DG H8 . 34302 1 213 . 1 1 27 27 DG H1 H 1 11.762 0.004 . . . . . . A 27 DG H1 . 34302 1 214 . 1 1 27 27 DG H1' H 1 6.157 0.003 . . . . . . A 27 DG H1' . 34302 1 215 . 1 1 27 27 DG H2' H 1 2.957 0.002 . . . . . . A 27 DG H2' . 34302 1 216 . 1 1 27 27 DG H2'' H 1 2.603 0.002 . . . . . . A 27 DG H2'' . 34302 1 217 . 1 1 27 27 DG H3' H 1 4.858 0.002 . . . . . . A 27 DG H3' . 34302 1 218 . 1 1 27 27 DG H4' H 1 4.553 0.003 . . . . . . A 27 DG H4' . 34302 1 219 . 1 1 27 27 DG H5' H 1 4.310 0.000 . . . . . . A 27 DG H5' . 34302 1 220 . 1 1 27 27 DG H5'' H 1 4.393 0.000 . . . . . . A 27 DG H5'' . 34302 1 221 . 1 1 27 27 DG H8 H 1 7.689 0.000 . . . . . . A 27 DG H8 . 34302 1 222 . 1 1 28 28 DG H1 H 1 11.501 0.006 . . . . . . A 28 DG H1 . 34302 1 223 . 1 1 28 28 DG H1' H 1 6.457 0.003 . . . . . . A 28 DG H1' . 34302 1 224 . 1 1 28 28 DG H2' H 1 2.654 0.002 . . . . . . A 28 DG H2' . 34302 1 225 . 1 1 28 28 DG H2'' H 1 2.548 0.001 . . . . . . A 28 DG H2'' . 34302 1 226 . 1 1 28 28 DG H3' H 1 4.742 0.002 . . . . . . A 28 DG H3' . 34302 1 227 . 1 1 28 28 DG H4' H 1 4.431 0.001 . . . . . . A 28 DG H4' . 34302 1 228 . 1 1 28 28 DG H5' H 1 4.287 0.002 . . . . . . A 28 DG H5' . 34302 1 229 . 1 1 28 28 DG H8 H 1 7.942 0.001 . . . . . . A 28 DG H8 . 34302 1 stop_ save_