data_6975 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6975 _Entry.Title ; 1H chemical shift assignments for Bcl2MidG4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-02-08 _Entry.Accession_date 2006-02-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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.Entry_ID 1 Jixun Dai . . . 6975 2 Ding Chen . . . 6975 3 Roger Jones . A. . 6975 4 Laurence Hurley . . . 6975 5 Yang Danzhou . . . 6975 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6975 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 199 6975 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 . . 2010-07-15 2006-02-08 update BMRB 'update DNA residue label to two-letter code' 6975 1 . . 2006-04-27 2006-02-08 original author 'original release' 6975 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2F8U 'BMRB Entry Tracking System' 6975 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6975 _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 ; An intramolecular G-quadruplex structure with mixed parallel/antiparallel G-strands formed in the human BCL-2 promoter region in solution ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 128 _Citation.Journal_issue 4 _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 1096 _Citation.Page_last 1098 _Citation.Year 2006 _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.Entry_ID _Citation_author.Citation_ID 1 Jixun Dai . . . 6975 1 2 T. Dexheimer . S. . 6975 1 3 Ding Chen . . . 6975 1 4 M. Carver . . . 6975 1 5 A. Ambrus . . . 6975 1 6 Roger Jones . A. . 6975 1 7 Danzhou Yang . . . 6975 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6975 _Assembly.ID 1 _Assembly.Name Bcl2MidG4Pu23-G15T_G16T _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _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 Bcl2MidG4Pu23-G15T_G16T 1 $Bcl2MidG4Pu23-G15T_G16T . . no native no no . . . 6975 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Bcl2MidG4Pu23-G15T_G16T _Entity.Sf_category entity _Entity.Sf_framecode Bcl2MidG4Pu23-G15T_G16T _Entity.Entry_ID 6975 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Bcl2 middle G4 oligonucleotides' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGGCGCGGGAGGAATTGGGC GGG ; _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 23 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 . 6975 1 2 . DG . 6975 1 3 . DG . 6975 1 4 . DC . 6975 1 5 . DG . 6975 1 6 . DC . 6975 1 7 . DG . 6975 1 8 . DG . 6975 1 9 . DG . 6975 1 10 . DA . 6975 1 11 . DG . 6975 1 12 . DG . 6975 1 13 . DA . 6975 1 14 . DA . 6975 1 15 . DT . 6975 1 16 . DT . 6975 1 17 . DG . 6975 1 18 . DG . 6975 1 19 . DG . 6975 1 20 . DC . 6975 1 21 . DG . 6975 1 22 . DG . 6975 1 23 . DG . 6975 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 6975 1 . DG 2 2 6975 1 . DG 3 3 6975 1 . DC 4 4 6975 1 . DG 5 5 6975 1 . DC 6 6 6975 1 . DG 7 7 6975 1 . DG 8 8 6975 1 . DG 9 9 6975 1 . DA 10 10 6975 1 . DG 11 11 6975 1 . DG 12 12 6975 1 . DA 13 13 6975 1 . DA 14 14 6975 1 . DT 15 15 6975 1 . DT 16 16 6975 1 . DG 17 17 6975 1 . DG 18 18 6975 1 . DG 19 19 6975 1 . DC 20 20 6975 1 . DG 21 21 6975 1 . DG 22 22 6975 1 . DG 23 23 6975 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 6975 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Bcl2MidG4Pu23-G15T_G16T . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6975 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 6975 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Bcl2MidG4Pu23-G15T_G16T . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6975 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6975 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Bcl2 middle G4 oligonucleotides' . . . 1 $Bcl2MidG4Pu23-G15T_G16T . . 1.5 . . mM . . . . 6975 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6975 _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 pH 7.0 0.01 pH 6975 1 temperature 298 0.01 K 6975 1 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 6975 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX600 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6975 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6975 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6975 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 $sample_1 isotropic 6975 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.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 11.74 0.05 . 1 . . . . 1 G H1 . 6975 1 2 . 1 1 1 1 DG H8 H 1 7.15 0.05 . 1 . . . . 1 G H8 . 6975 1 3 . 1 1 1 1 DG H1' H 1 5.75 0.05 . 1 . . . . 1 G H1' . 6975 1 4 . 1 1 1 1 DG H2' H 1 2.69 0.05 . 1 . . . . 1 G H2' . 6975 1 5 . 1 1 1 1 DG H3' H 1 4.86 0.05 . 1 . . . . 1 G H3' . 6975 1 6 . 1 1 1 1 DG H4' H 1 4.23 0.05 . 1 . . . . 1 G H4' . 6975 1 7 . 1 1 1 1 DG H5' H 1 3.82 0.05 . 2 . . . . 1 G H5' . 6975 1 8 . 1 1 1 1 DG H2'' H 1 2.99 0.05 . 1 . . . . 1 G H2'' . 6975 1 9 . 1 1 2 2 DG H1 H 1 11.68 0.05 . 1 . . . . 2 G H1 . 6975 1 10 . 1 1 2 2 DG H8 H 1 7.75 0.05 . 1 . . . . 2 G H8 . 6975 1 11 . 1 1 2 2 DG H1' H 1 5.63 0.05 . 1 . . . . 2 G H1' . 6975 1 12 . 1 1 2 2 DG H2' H 1 2.37 0.05 . 1 . . . . 2 G H2' . 6975 1 13 . 1 1 2 2 DG H3' H 1 4.95 0.05 . 1 . . . . 2 G H3' . 6975 1 14 . 1 1 2 2 DG H4' H 1 4.28 0.05 . 1 . . . . 2 G H4' . 6975 1 15 . 1 1 2 2 DG H5' H 1 4.22 0.05 . 1 . . . . 2 G H5' . 6975 1 16 . 1 1 2 2 DG H2'' H 1 2.58 0.05 . 1 . . . . 2 G H2'' . 6975 1 17 . 1 1 2 2 DG H5'' H 1 4.16 0.05 . 1 . . . . 2 G H5'' . 6975 1 18 . 1 1 3 3 DG H1 H 1 10.79 0.05 . 1 . . . . 3 G H1 . 6975 1 19 . 1 1 3 3 DG H8 H 1 7.39 0.05 . 1 . . . . 3 G H8 . 6975 1 20 . 1 1 3 3 DG H1' H 1 5.78 0.05 . 1 . . . . 3 G H1' . 6975 1 21 . 1 1 3 3 DG H2' H 1 2.43 0.05 . 1 . . . . 3 G H2' . 6975 1 22 . 1 1 3 3 DG H3' H 1 4.95 0.05 . 1 . . . . 3 G H3' . 6975 1 23 . 1 1 3 3 DG H4' H 1 4.38 0.05 . 1 . . . . 3 G H4' . 6975 1 24 . 1 1 3 3 DG H5' H 1 4.26 0.05 . 1 . . . . 3 G H5' . 6975 1 25 . 1 1 3 3 DG H2'' H 1 2.54 0.05 . 1 . . . . 3 G H2'' . 6975 1 26 . 1 1 3 3 DG H5'' H 1 4.12 0.05 . 1 . . . . 3 G H5'' . 6975 1 27 . 1 1 4 4 DC H5 H 1 6.06 0.05 . 1 . . . . 4 C H5 . 6975 1 28 . 1 1 4 4 DC H6 H 1 8.02 0.05 . 1 . . . . 4 C H6 . 6975 1 29 . 1 1 4 4 DC H1' H 1 6.31 0.05 . 1 . . . . 4 C H1' . 6975 1 30 . 1 1 4 4 DC H2' H 1 2.07 0.05 . 1 . . . . 4 C H2' . 6975 1 31 . 1 1 4 4 DC H3' H 1 4.74 0.05 . 1 . . . . 4 C H3' . 6975 1 32 . 1 1 4 4 DC H4' H 1 4.33 0.05 . 1 . . . . 4 C H4' . 6975 1 33 . 1 1 4 4 DC H5' H 1 4.18 0.05 . 1 . . . . 4 C H5' . 6975 1 34 . 1 1 4 4 DC H2'' H 1 2.52 0.05 . 1 . . . . 4 C H2'' . 6975 1 35 . 1 1 4 4 DC H5'' H 1 4.07 0.05 . 1 . . . . 4 C H5'' . 6975 1 36 . 1 1 5 5 DG H8 H 1 7.31 0.05 . 1 . . . . 5 G H8 . 6975 1 37 . 1 1 5 5 DG H1' H 1 5.74 0.05 . 1 . . . . 5 G H1' . 6975 1 38 . 1 1 5 5 DG H2' H 1 1.85 0.05 . 1 . . . . 5 G H2' . 6975 1 39 . 1 1 5 5 DG H3' H 1 4.49 0.05 . 1 . . . . 5 G H3' . 6975 1 40 . 1 1 5 5 DG H4' H 1 3.74 0.05 . 1 . . . . 5 G H4' . 6975 1 41 . 1 1 5 5 DG H5' H 1 3.91 0.05 . 1 . . . . 5 G H5' . 6975 1 42 . 1 1 5 5 DG H2'' H 1 2.13 0.05 . 1 . . . . 5 G H2'' . 6975 1 43 . 1 1 5 5 DG H5'' H 1 3.84 0.05 . 1 . . . . 5 G H5'' . 6975 1 44 . 1 1 6 6 DC H5 H 1 5.37 0.05 . 1 . . . . 6 C H5 . 6975 1 45 . 1 1 6 6 DC H6 H 1 7.27 0.05 . 1 . . . . 6 C H6 . 6975 1 46 . 1 1 6 6 DC H1' H 1 5.52 0.05 . 1 . . . . 6 C H1' . 6975 1 47 . 1 1 6 6 DC H2' H 1 1.54 0.05 . 1 . . . . 6 C H2' . 6975 1 48 . 1 1 6 6 DC H3' H 1 4.46 0.05 . 1 . . . . 6 C H3' . 6975 1 49 . 1 1 6 6 DC H4' H 1 3.77 0.05 . 1 . . . . 6 C H4' . 6975 1 50 . 1 1 6 6 DC H5' H 1 2.57 0.05 . 1 . . . . 6 C H5' . 6975 1 51 . 1 1 6 6 DC H2'' H 1 2.23 0.05 . 1 . . . . 6 C H2'' . 6975 1 52 . 1 1 6 6 DC H5'' H 1 3.31 0.05 . 1 . . . . 6 C H5'' . 6975 1 53 . 1 1 7 7 DG H1 H 1 11.61 0.05 . 1 . . . . 7 G H1 . 6975 1 54 . 1 1 7 7 DG H8 H 1 7.29 0.05 . 1 . . . . 7 G H8 . 6975 1 55 . 1 1 7 7 DG H1' H 1 5.98 0.05 . 1 . . . . 7 G H1' . 6975 1 56 . 1 1 7 7 DG H2' H 1 3.69 0.05 . 1 . . . . 7 G H2' . 6975 1 57 . 1 1 7 7 DG H3' H 1 4.78 0.05 . 1 . . . . 7 G H3' . 6975 1 58 . 1 1 7 7 DG H4' H 1 4.21 0.05 . 1 . . . . 7 G H4' . 6975 1 59 . 1 1 7 7 DG H5' H 1 4.03 0.05 . 1 . . . . 7 G H5' . 6975 1 60 . 1 1 7 7 DG H2'' H 1 3.06 0.05 . 1 . . . . 7 G H2'' . 6975 1 61 . 1 1 7 7 DG H5'' H 1 4.32 0.05 . 1 . . . . 7 G H5'' . 6975 1 62 . 1 1 8 8 DG H1 H 1 11.36 0.05 . 1 . . . . 8 G H1 . 6975 1 63 . 1 1 8 8 DG H8 H 1 7.57 0.05 . 1 . . . . 8 G H8 . 6975 1 64 . 1 1 8 8 DG H1' H 1 5.74 0.05 . 1 . . . . 8 G H1' . 6975 1 65 . 1 1 8 8 DG H2' H 1 2.63 0.05 . 1 . . . . 8 G H2' . 6975 1 66 . 1 1 8 8 DG H3' H 1 4.92 0.05 . 1 . . . . 8 G H3' . 6975 1 67 . 1 1 8 8 DG H4' H 1 4.18 0.05 . 1 . . . . 8 G H4' . 6975 1 68 . 1 1 8 8 DG H5' H 1 4.09 0.05 . 1 . . . . 8 G H5' . 6975 1 69 . 1 1 8 8 DG H2'' H 1 2.54 0.05 . 1 . . . . 8 G H2'' . 6975 1 70 . 1 1 8 8 DG H5'' H 1 4.23 0.05 . 1 . . . . 8 G H5'' . 6975 1 71 . 1 1 9 9 DG H1 H 1 10.97 0.05 . 1 . . . . 9 G H1 . 6975 1 72 . 1 1 9 9 DG H8 H 1 7.78 0.05 . 1 . . . . 9 G H8 . 6975 1 73 . 1 1 9 9 DG H1' H 1 5.46 0.05 . 1 . . . . 9 G H1' . 6975 1 74 . 1 1 9 9 DG H2' H 1 2.34 0.05 . 1 . . . . 9 G H2' . 6975 1 75 . 1 1 9 9 DG H3' H 1 4.89 0.05 . 1 . . . . 9 G H3' . 6975 1 76 . 1 1 9 9 DG H4' H 1 4.24 0.05 . 1 . . . . 9 G H4' . 6975 1 77 . 1 1 9 9 DG H5' H 1 4.05 0.05 . 2 . . . . 9 G H5' . 6975 1 78 . 1 1 9 9 DG H2'' H 1 2.46 0.05 . 1 . . . . 9 G H2'' . 6975 1 79 . 1 1 10 10 DA H2 H 1 7.58 0.05 . 1 . . . . 10 A H2 . 6975 1 80 . 1 1 10 10 DA H8 H 1 7.67 0.05 . 1 . . . . 10 A H8 . 6975 1 81 . 1 1 10 10 DA H1' H 1 5.83 0.05 . 1 . . . . 10 A H1' . 6975 1 82 . 1 1 10 10 DA H2' H 1 1.66 0.05 . 1 . . . . 10 A H2' . 6975 1 83 . 1 1 10 10 DA H3' H 1 4.66 0.05 . 1 . . . . 10 A H3' . 6975 1 84 . 1 1 10 10 DA H4' H 1 4.24 0.05 . 1 . . . . 10 A H4' . 6975 1 85 . 1 1 10 10 DA H5' H 1 3.98 0.05 . 1 . . . . 10 A H5' . 6975 1 86 . 1 1 10 10 DA H2'' H 1 1.94 0.05 . 1 . . . . 10 A H2'' . 6975 1 87 . 1 1 10 10 DA H5'' H 1 4.06 0.05 . 1 . . . . 10 A H5'' . 6975 1 88 . 1 1 11 11 DG H8 H 1 7.61 0.05 . 1 . . . . 11 G H8 . 6975 1 89 . 1 1 11 11 DG H1' H 1 5.31 0.05 . 1 . . . . 11 G H1' . 6975 1 90 . 1 1 11 11 DG H2' H 1 2.32 0.05 . 1 . . . . 11 G H2' . 6975 1 91 . 1 1 11 11 DG H3' H 1 4.71 0.05 . 1 . . . . 11 G H3' . 6975 1 92 . 1 1 11 11 DG H4' H 1 3.97 0.05 . 1 . . . . 11 G H4' . 6975 1 93 . 1 1 11 11 DG H5' H 1 3.80 0.05 . 1 . . . . 11 G H5' . 6975 1 94 . 1 1 11 11 DG H2'' H 1 2.20 0.05 . 1 . . . . 11 G H2'' . 6975 1 95 . 1 1 11 11 DG H5'' H 1 3.85 0.05 . 1 . . . . 11 G H5'' . 6975 1 96 . 1 1 12 12 DG H8 H 1 7.62 0.05 . 1 . . . . 12 G H8 . 6975 1 97 . 1 1 12 12 DG H1' H 1 5.42 0.05 . 1 . . . . 12 G H1' . 6975 1 98 . 1 1 12 12 DG H2' H 1 2.36 0.05 . 1 . . . . 12 G H2' . 6975 1 99 . 1 1 12 12 DG H3' H 1 4.67 0.05 . 1 . . . . 12 G H3' . 6975 1 100 . 1 1 12 12 DG H4' H 1 3.66 0.05 . 1 . . . . 12 G H4' . 6975 1 101 . 1 1 12 12 DG H5' H 1 3.54 0.05 . 2 . . . . 12 G H5' . 6975 1 102 . 1 1 12 12 DG H2'' H 1 2.25 0.05 . 1 . . . . 12 G H2'' . 6975 1 103 . 1 1 13 13 DA H8 H 1 7.95 0.05 . 1 . . . . 13 A H8 . 6975 1 104 . 1 1 13 13 DA H1' H 1 6.04 0.05 . 1 . . . . 13 A H1' . 6975 1 105 . 1 1 13 13 DA H2' H 1 2.47 0.05 . 1 . . . . 13 A H2' . 6975 1 106 . 1 1 13 13 DA H3' H 1 4.72 0.05 . 1 . . . . 13 A H3' . 6975 1 107 . 1 1 13 13 DA H4' H 1 3.92 0.05 . 1 . . . . 13 A H4' . 6975 1 108 . 1 1 13 13 DA H5' H 1 3.63 0.05 . 1 . . . . 13 A H5' . 6975 1 109 . 1 1 13 13 DA H2'' H 1 2.36 0.05 . 1 . . . . 13 A H2'' . 6975 1 110 . 1 1 13 13 DA H5'' H 1 3.73 0.05 . 1 . . . . 13 A H5'' . 6975 1 111 . 1 1 14 14 DA H8 H 1 7.97 0.05 . 1 . . . . 14 A H8 . 6975 1 112 . 1 1 14 14 DA H1' H 1 6.04 0.05 . 1 . . . . 14 A H1' . 6975 1 113 . 1 1 14 14 DA H2' H 1 2.11 0.05 . 1 . . . . 14 A H2' . 6975 1 114 . 1 1 14 14 DA H3' H 1 4.57 0.05 . 1 . . . . 14 A H3' . 6975 1 115 . 1 1 14 14 DA H4' H 1 4.12 0.05 . 1 . . . . 14 A H4' . 6975 1 116 . 1 1 14 14 DA H5' H 1 3.84 0.05 . 1 . . . . 14 A H5' . 6975 1 117 . 1 1 14 14 DA H2'' H 1 2.45 0.05 . 1 . . . . 14 A H2'' . 6975 1 118 . 1 1 14 14 DA H5'' H 1 3.92 0.05 . 1 . . . . 14 A H5'' . 6975 1 119 . 1 1 15 15 DT H6 H 1 6.66 0.05 . 1 . . . . 15 T H6 . 6975 1 120 . 1 1 15 15 DT H1' H 1 5.42 0.05 . 1 . . . . 15 T H1' . 6975 1 121 . 1 1 15 15 DT H2' H 1 1.43 0.05 . 1 . . . . 15 T H2' . 6975 1 122 . 1 1 15 15 DT H3' H 1 4.61 0.05 . 1 . . . . 15 T H3' . 6975 1 123 . 1 1 15 15 DT H4' H 1 4.13 0.05 . 1 . . . . 15 T H4' . 6975 1 124 . 1 1 15 15 DT H5' H 1 3.62 0.05 . 1 . . . . 15 T H5' . 6975 1 125 . 1 1 15 15 DT H2'' H 1 2.19 0.05 . 1 . . . . 15 T H2'' . 6975 1 126 . 1 1 15 15 DT H5'' H 1 4.03 0.05 . 1 . . . . 15 T H5'' . 6975 1 127 . 1 1 15 15 DT H71 H 1 1.15 0.05 . 1 . . . . 15 T H5 . 6975 1 128 . 1 1 15 15 DT H72 H 1 1.15 0.05 . 1 . . . . 15 T H5 . 6975 1 129 . 1 1 15 15 DT H73 H 1 1.15 0.05 . 1 . . . . 15 T H5 . 6975 1 130 . 1 1 16 16 DT H6 H 1 7.66 0.05 . 1 . . . . 16 T H6 . 6975 1 131 . 1 1 16 16 DT H1' H 1 6.21 0.05 . 1 . . . . 16 T H1' . 6975 1 132 . 1 1 16 16 DT H2' H 1 2.02 0.05 . 1 . . . . 16 T H2' . 6975 1 133 . 1 1 16 16 DT H3' H 1 4.62 0.05 . 1 . . . . 16 T H3' . 6975 1 134 . 1 1 16 16 DT H4' H 1 3.74 0.05 . 1 . . . . 16 T H4' . 6975 1 135 . 1 1 16 16 DT H5' H 1 3.05 0.05 . 2 . . . . 16 T H5' . 6975 1 136 . 1 1 16 16 DT H2'' H 1 2.45 0.05 . 1 . . . . 16 T H2'' . 6975 1 137 . 1 1 16 16 DT H71 H 1 1.53 0.05 . 1 . . . . 16 T H5 . 6975 1 138 . 1 1 16 16 DT H72 H 1 1.53 0.05 . 1 . . . . 16 T H5 . 6975 1 139 . 1 1 16 16 DT H73 H 1 1.53 0.05 . 1 . . . . 16 T H5 . 6975 1 140 . 1 1 17 17 DG H1 H 1 11.69 0.05 . 1 . . . . 17 G H1 . 6975 1 141 . 1 1 17 17 DG H8 H 1 7.44 0.05 . 1 . . . . 17 G H8 . 6975 1 142 . 1 1 17 17 DG H1' H 1 6.11 0.05 . 1 . . . . 17 G H1' . 6975 1 143 . 1 1 17 17 DG H2' H 1 3.37 0.05 . 1 . . . . 17 G H2' . 6975 1 144 . 1 1 17 17 DG H3' H 1 4.81 0.05 . 1 . . . . 17 G H3' . 6975 1 145 . 1 1 17 17 DG H4' H 1 4.46 0.05 . 1 . . . . 17 G H4' . 6975 1 146 . 1 1 17 17 DG H5' H 1 4.13 0.05 . 1 . . . . 17 G H5' . 6975 1 147 . 1 1 17 17 DG H2'' H 1 2.96 0.05 . 1 . . . . 17 G H2'' . 6975 1 148 . 1 1 17 17 DG H5'' H 1 4.41 0.05 . 1 . . . . 17 G H5'' . 6975 1 149 . 1 1 18 18 DG H1 H 1 11.30 0.05 . 1 . . . . 18 G H1 . 6975 1 150 . 1 1 18 18 DG H8 H 1 7.76 0.05 . 1 . . . . 18 G H8 . 6975 1 151 . 1 1 18 18 DG H1' H 1 6.00 0.05 . 1 . . . . 18 G H1' . 6975 1 152 . 1 1 18 18 DG H2' H 1 2.41 0.05 . 1 . . . . 18 G H2' . 6975 1 153 . 1 1 18 18 DG H3' H 1 4.92 0.05 . 1 . . . . 18 G H3' . 6975 1 154 . 1 1 18 18 DG H4' H 1 4.44 0.05 . 1 . . . . 18 G H4' . 6975 1 155 . 1 1 18 18 DG H5' H 1 4.17 0.05 . 1 . . . . 18 G H5' . 6975 1 156 . 1 1 18 18 DG H2'' H 1 2.82 0.05 . 1 . . . . 18 G H2'' . 6975 1 157 . 1 1 18 18 DG H5'' H 1 4.32 0.05 . 1 . . . . 18 G H5'' . 6975 1 158 . 1 1 19 19 DG H1 H 1 10.89 0.05 . 1 . . . . 19 G H1 . 6975 1 159 . 1 1 19 19 DG H8 H 1 7.43 0.05 . 1 . . . . 19 G H8 . 6975 1 160 . 1 1 19 19 DG H1' H 1 6.37 0.05 . 1 . . . . 19 G H1' . 6975 1 161 . 1 1 19 19 DG H2' H 1 2.64 0.05 . 2 . . . . 19 G H2' . 6975 1 162 . 1 1 19 19 DG H3' H 1 5.04 0.05 . 1 . . . . 19 G H3' . 6975 1 163 . 1 1 19 19 DG H4' H 1 4.57 0.05 . 1 . . . . 19 G H4' . 6975 1 164 . 1 1 19 19 DG H5' H 1 4.29 0.05 . 1 . . . . 19 G H5' . 6975 1 165 . 1 1 19 19 DG H5'' H 1 4.34 0.05 . 1 . . . . 19 G H5'' . 6975 1 166 . 1 1 20 20 DC H5 H 1 6.09 0.05 . 1 . . . . 20 C H5 . 6975 1 167 . 1 1 20 20 DC H6 H 1 7.93 0.05 . 1 . . . . 20 C H6 . 6975 1 168 . 1 1 20 20 DC H1' H 1 6.40 0.05 . 1 . . . . 20 C H1' . 6975 1 169 . 1 1 20 20 DC H2' H 1 2.26 0.05 . 1 . . . . 20 C H2' . 6975 1 170 . 1 1 20 20 DC H3' H 1 4.98 0.05 . 1 . . . . 20 C H3' . 6975 1 171 . 1 1 20 20 DC H4' H 1 4.77 0.05 . 1 . . . . 20 C H4' . 6975 1 172 . 1 1 20 20 DC H5' H 1 4.27 0.05 . 2 . . . . 20 C H5' . 6975 1 173 . 1 1 20 20 DC H2'' H 1 2.76 0.05 . 1 . . . . 20 C H2'' . 6975 1 174 . 1 1 21 21 DG H1 H 1 11.55 0.05 . 1 . . . . 21 G H1 . 6975 1 175 . 1 1 21 21 DG H8 H 1 6.48 0.05 . 1 . . . . 21 G H8 . 6975 1 176 . 1 1 21 21 DG H1' H 1 5.34 0.05 . 1 . . . . 21 G H1' . 6975 1 177 . 1 1 21 21 DG H2' H 1 2.85 0.05 . 2 . . . . 21 G H2' . 6975 1 178 . 1 1 21 21 DG H3' H 1 5.00 0.05 . 1 . . . . 21 G H3' . 6975 1 179 . 1 1 21 21 DG H4' H 1 4.79 0.05 . 1 . . . . 21 G H4' . 6975 1 180 . 1 1 21 21 DG H5' H 1 3.91 0.05 . 1 . . . . 21 G H5' . 6975 1 181 . 1 1 21 21 DG H5'' H 1 4.30 0.05 . 1 . . . . 21 G H5'' . 6975 1 182 . 1 1 22 22 DG H1 H 1 11.38 0.05 . 1 . . . . 22 G H1 . 6975 1 183 . 1 1 22 22 DG H8 H 1 8.02 0.05 . 1 . . . . 22 G H8 . 6975 1 184 . 1 1 22 22 DG H1' H 1 5.73 0.05 . 1 . . . . 22 G H1' . 6975 1 185 . 1 1 22 22 DG H2' H 1 2.53 0.05 . 1 . . . . 22 G H2' . 6975 1 186 . 1 1 22 22 DG H3' H 1 4.98 0.05 . 1 . . . . 22 G H3' . 6975 1 187 . 1 1 22 22 DG H4' H 1 4.33 0.05 . 1 . . . . 22 G H4' . 6975 1 188 . 1 1 22 22 DG H5' H 1 3.98 0.05 . 1 . . . . 22 G H5' . 6975 1 189 . 1 1 22 22 DG H2'' H 1 2.61 0.05 . 1 . . . . 22 G H2'' . 6975 1 190 . 1 1 22 22 DG H5'' H 1 4.15 0.05 . 1 . . . . 22 G H5'' . 6975 1 191 . 1 1 23 23 DG H1 H 1 11.19 0.05 . 1 . . . . 23 G H1 . 6975 1 192 . 1 1 23 23 DG H8 H 1 7.69 0.05 . 1 . . . . 23 G H8 . 6975 1 193 . 1 1 23 23 DG H1' H 1 6.30 0.05 . 1 . . . . 23 G H1' . 6975 1 194 . 1 1 23 23 DG H2' H 1 2.44 0.05 . 1 . . . . 23 G H2' . 6975 1 195 . 1 1 23 23 DG H3' H 1 4.58 0.05 . 1 . . . . 23 G H3' . 6975 1 196 . 1 1 23 23 DG H4' H 1 4.28 0.05 . 1 . . . . 23 G H4' . 6975 1 197 . 1 1 23 23 DG H5' H 1 4.13 0.05 . 1 . . . . 23 G H5' . 6975 1 198 . 1 1 23 23 DG H2'' H 1 2.34 0.05 . 1 . . . . 23 G H2'' . 6975 1 199 . 1 1 23 23 DG H5'' H 1 4.18 0.05 . 1 . . . . 23 G H5'' . 6975 1 stop_ save_