data_4235 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4235 _Entry.Title ; NMR Solution Structure of [d(GCGAATTCGC)2] ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-09-29 _Entry.Accession_date 1998-09-29 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _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 James Aramini . M. . 4235 2 A. Mujeeb . . . 4235 3 Marcus Germann . W. . 4235 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4235 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 82 4235 '31P chemical shifts' 9 4235 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 . . 2010-07-14 1998-09-29 update BMRB 'update DNA residue label to two-letter code' 4235 1 . . 1999-02-08 1998-09-29 original author 'original release' 4235 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1BWT 'BMRB Entry Tracking System' 4235 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4235 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99058075 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Aramini, J. M., Mujeeb, A., and Germann, M. W., "NMR Solution Structures of [d(GCGAAT-3'-3'-alphaT-5'-5'-CGC)2] and its Unmodified Control," Nucleic Acids Res. 15, 5644-5654 (1998). ; _Citation.Title ; NMR Solution Structures of [d(GCGAAT-3'-3'-alphaT-5'-5'-CGC)2] and its Unmodified Control ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic Acids Research' _Citation.Journal_volume 15 _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 5644 _Citation.Page_last 5654 _Citation.Year 1998 _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 James Aramini . M. . 4235 1 2 A. Mujeeb . . . 4235 1 3 Marcus Germann . W. . 4235 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID DNA 4235 1 'EcoRI recognition site' 4235 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_DNA_decamer _Assembly.Sf_category assembly _Assembly.Sf_framecode system_DNA_decamer _Assembly.Entry_ID 4235 _Assembly.ID 1 _Assembly.Name 'DNA decamer' _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_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID duplex 4235 1 stop_ 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 strand_A 1 $DNA_decamer . . . native . . 1 . . 4235 1 2 strand_B 1 $DNA_decamer . . . native . . 1 . . 4235 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1bwt . . . . . . 4235 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'DNA decamer' system 4235 1 DNA_decamer abbreviation 4235 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DNA_decamer _Entity.Sf_category entity _Entity.Sf_framecode DNA_decamer _Entity.Entry_ID 4235 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'DNA decamer' _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 GCGAATTCGC _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 . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 10 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _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 'Contains EcoRI recognition site' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'DNA decamer' common 4235 1 stop_ 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 . 4235 1 2 . DC . 4235 1 3 . DG . 4235 1 4 . DA . 4235 1 5 . DA . 4235 1 6 . DT . 4235 1 7 . DT . 4235 1 8 . DC . 4235 1 9 . DG . 4235 1 10 . DC . 4235 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 4235 1 . DC 2 2 4235 1 . DG 3 3 4235 1 . DA 4 4 4235 1 . DA 5 5 4235 1 . DT 6 6 4235 1 . DT 7 7 4235 1 . DC 8 8 4235 1 . DG 9 9 4235 1 . DC 10 10 4235 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 4235 _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 $DNA_decamer . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4235 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 4235 _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 $DNA_decamer . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4235 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4235 _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 'DNA decamer' . 1 $system_DNA_decamer . . . . 2.6 . . mM . . . . 4235 1 2 NaCl . . . . . . . 50 . . mM . . . . 4235 1 3 NaPhosphate . . . . . . . 10 . . mM . . . . 4235 1 4 EDTA . . . . . . . 0.1 . . mM . . . . 4235 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4235 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; The imino proton assignments were made on the same sample, except in 90:10 H2O/D2O and 293 K ; 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 6.5 0.1 n/a 4235 1 pressure 1 . atm 4235 1 temperature 303 0.1 K 4235 1 stop_ save_ ############################ # Computer software used # ############################ save_software_one _Software.Sf_category software _Software.Sf_framecode software_one _Software.Entry_ID 4235 _Software.ID 1 _Software.Name XWINNMR _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'acquisition, processing, assignment' 4235 1 stop_ save_ save_software-two _Software.Sf_category software _Software.Sf_framecode software-two _Software.Entry_ID 4235 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.33 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'cross-peak integration' 4235 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4235 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4235 _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 NMR_spectrometer_one Bruker AMX . 600 . . . 4235 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 4235 _Experiment_list.ID 1 _Experiment_list.Details ; NOESY, DQF-COSY, 31P-1H correlation 1H-detected 31P-1H correlation experiment used in the assignment of 31P signals was that of Sklenar et al., FEBS Lett. 208, 94-98 (1986). ; 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 NOESY . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4235 1 2 DQF-COSY . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4235 1 3 '31P-1H correlation' . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4235 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4235 _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 0.00 external direct 1.00 external_to_the_sample cylindrical parallel_to_Bo . . . . . . 4235 1 P 31 '85% H3PO4' PO4 . . . . ppm 0.00 external direct 2.471 external_to_the_sample cylindrical parallel_to_Bo . . . . . . 4235 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_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4235 _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_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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 ; 1H and 31P Chemical Shift Data for: [d(GCGAATTCGC)2] in 50 mM NaCl, 10 mM phosphate, pH 6.5, D2O, 303 K imino 1H data were obtained at 293K; aminos were not assigned for the beta anomeric residues, only 1 proton on C5' could be assigned to a residue, but were not stereospecifically assigned due to overlap. See Aramini et al., 1996 Biochemistry 35, 9355-9365 (1996). ; _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_one . 4235 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 13.031 0.005 . 1 . . . . . . . . 4235 1 2 . 1 1 1 1 DG H8 H 1 7.926 0.005 . 1 . . . . . . . . 4235 1 3 . 1 1 1 1 DG H1' H 1 5.949 0.005 . 1 . . . . . . . . 4235 1 4 . 1 1 1 1 DG H2' H 1 2.554 0.005 . 1 . . . . . . . . 4235 1 5 . 1 1 1 1 DG H2'' H 1 2.744 0.005 . 1 . . . . . . . . 4235 1 6 . 1 1 1 1 DG H3' H 1 4.822 0.005 . 1 . . . . . . . . 4235 1 7 . 1 1 1 1 DG H4' H 1 4.210 0.005 . 1 . . . . . . . . 4235 1 8 . 1 1 1 1 DG H5' H 1 3.682 0.005 . 2 . . . . . . . . 4235 1 9 . 1 1 2 2 DC H5 H 1 5.350 0.005 . 1 . . . . . . . . 4235 1 10 . 1 1 2 2 DC H6 H 1 7.331 0.005 . 1 . . . . . . . . 4235 1 11 . 1 1 2 2 DC H1' H 1 5.616 0.005 . 1 . . . . . . . . 4235 1 12 . 1 1 2 2 DC H2' H 1 1.937 0.005 . 1 . . . . . . . . 4235 1 13 . 1 1 2 2 DC H2'' H 1 2.305 0.005 . 1 . . . . . . . . 4235 1 14 . 1 1 2 2 DC H3' H 1 4.820 0.005 . 1 . . . . . . . . 4235 1 15 . 1 1 2 2 DC H4' H 1 4.127 0.005 . 1 . . . . . . . . 4235 1 16 . 1 1 2 2 DC H5' H 1 4.085 0.005 . 2 . . . . . . . . 4235 1 17 . 1 1 2 2 DC P P 31 -0.57 0.02 . 1 . . . . . . . . 4235 1 18 . 1 1 3 3 DG H1 H 1 12.727 0.005 . 1 . . . . . . . . 4235 1 19 . 1 1 3 3 DG H8 H 1 7.847 0.005 . 1 . . . . . . . . 4235 1 20 . 1 1 3 3 DG H1' H 1 5.457 0.005 . 1 . . . . . . . . 4235 1 21 . 1 1 3 3 DG H2' H 1 2.654 0.005 . 1 . . . . . . . . 4235 1 22 . 1 1 3 3 DG H2'' H 1 2.749 0.005 . 1 . . . . . . . . 4235 1 23 . 1 1 3 3 DG H3' H 1 4.987 0.005 . 1 . . . . . . . . 4235 1 24 . 1 1 3 3 DG H4' H 1 4.307 0.005 . 1 . . . . . . . . 4235 1 25 . 1 1 3 3 DG P P 31 -0.28 0.02 . 1 . . . . . . . . 4235 1 26 . 1 1 4 4 DA H2 H 1 7.253 0.005 . 1 . . . . . . . . 4235 1 27 . 1 1 4 4 DA H8 H 1 8.102 0.005 . 1 . . . . . . . . 4235 1 28 . 1 1 4 4 DA H1' H 1 5.997 0.005 . 1 . . . . . . . . 4235 1 29 . 1 1 4 4 DA H2' H 1 2.690 0.005 . 1 . . . . . . . . 4235 1 30 . 1 1 4 4 DA H2'' H 1 2.920 0.005 . 1 . . . . . . . . 4235 1 31 . 1 1 4 4 DA H3' H 1 5.052 0.005 . 1 . . . . . . . . 4235 1 32 . 1 1 4 4 DA H4' H 1 4.444 0.005 . 1 . . . . . . . . 4235 1 33 . 1 1 4 4 DA H5' H 1 4.162 0.005 . 2 . . . . . . . . 4235 1 34 . 1 1 4 4 DA P P 31 -0.50 0.02 . 1 . . . . . . . . 4235 1 35 . 1 1 5 5 DA H2 H 1 7.617 0.005 . 1 . . . . . . . . 4235 1 36 . 1 1 5 5 DA H8 H 1 8.090 0.005 . 1 . . . . . . . . 4235 1 37 . 1 1 5 5 DA H1' H 1 6.139 0.005 . 1 . . . . . . . . 4235 1 38 . 1 1 5 5 DA H2' H 1 2.548 0.005 . 1 . . . . . . . . 4235 1 39 . 1 1 5 5 DA H2'' H 1 2.902 0.005 . 1 . . . . . . . . 4235 1 40 . 1 1 5 5 DA H3' H 1 4.985 0.005 . 1 . . . . . . . . 4235 1 41 . 1 1 5 5 DA H4' H 1 4.453 0.005 . 1 . . . . . . . . 4235 1 42 . 1 1 5 5 DA H5' H 1 4.254 0.005 . 2 . . . . . . . . 4235 1 43 . 1 1 5 5 DA P P 31 -0.63 0.02 . 1 . . . . . . . . 4235 1 44 . 1 1 6 6 DT H3 H 1 13.671 0.005 . 1 . . . . . . . . 4235 1 45 . 1 1 6 6 DT H6 H 1 7.089 0.005 . 1 . . . . . . . . 4235 1 46 . 1 1 6 6 DT H71 H 1 1.262 0.005 . 1 . . . . . . . . 4235 1 47 . 1 1 6 6 DT H72 H 1 1.262 0.005 . 1 . . . . . . . . 4235 1 48 . 1 1 6 6 DT H73 H 1 1.262 0.005 . 1 . . . . . . . . 4235 1 49 . 1 1 6 6 DT H1' H 1 5.883 0.005 . 1 . . . . . . . . 4235 1 50 . 1 1 6 6 DT H2' H 1 1.960 0.005 . 1 . . . . . . . . 4235 1 51 . 1 1 6 6 DT H2'' H 1 2.540 0.005 . 1 . . . . . . . . 4235 1 52 . 1 1 6 6 DT H3' H 1 4.793 0.005 . 1 . . . . . . . . 4235 1 53 . 1 1 6 6 DT H4' H 1 4.190 0.005 . 1 . . . . . . . . 4235 1 54 . 1 1 6 6 DT P P 31 -0.77 0.02 . 1 . . . . . . . . 4235 1 55 . 1 1 7 7 DT H3 H 1 13.795 0.005 . 1 . . . . . . . . 4235 1 56 . 1 1 7 7 DT H6 H 1 7.364 0.005 . 1 . . . . . . . . 4235 1 57 . 1 1 7 7 DT H71 H 1 1.523 0.005 . 1 . . . . . . . . 4235 1 58 . 1 1 7 7 DT H72 H 1 1.523 0.005 . 1 . . . . . . . . 4235 1 59 . 1 1 7 7 DT H73 H 1 1.523 0.005 . 1 . . . . . . . . 4235 1 60 . 1 1 7 7 DT H1' H 1 6.083 0.005 . 1 . . . . . . . . 4235 1 61 . 1 1 7 7 DT H2' H 1 2.152 0.005 . 1 . . . . . . . . 4235 1 62 . 1 1 7 7 DT H2'' H 1 2.533 0.005 . 1 . . . . . . . . 4235 1 63 . 1 1 7 7 DT H3' H 1 4.881 0.005 . 1 . . . . . . . . 4235 1 64 . 1 1 7 7 DT H4' H 1 4.193 0.005 . 1 . . . . . . . . 4235 1 65 . 1 1 7 7 DT P P 31 -0.76 0.02 . 1 . . . . . . . . 4235 1 66 . 1 1 8 8 DC H5 H 1 5.631 0.005 . 1 . . . . . . . . 4235 1 67 . 1 1 8 8 DC H6 H 1 7.442 0.005 . 1 . . . . . . . . 4235 1 68 . 1 1 8 8 DC H1' H 1 5.678 0.005 . 1 . . . . . . . . 4235 1 69 . 1 1 8 8 DC H2' H 1 2.025 0.005 . 1 . . . . . . . . 4235 1 70 . 1 1 8 8 DC H2'' H 1 2.387 0.005 . 1 . . . . . . . . 4235 1 71 . 1 1 8 8 DC H3' H 1 4.849 0.005 . 1 . . . . . . . . 4235 1 72 . 1 1 8 8 DC H4' H 1 4.130 0.005 . 1 . . . . . . . . 4235 1 73 . 1 1 8 8 DC H5' H 1 4.165 0.005 . 2 . . . . . . . . 4235 1 74 . 1 1 8 8 DC P P 31 -0.61 0.02 . 1 . . . . . . . . 4235 1 75 . 1 1 9 9 DG H1 H 1 13.031 0.005 . 1 . . . . . . . . 4235 1 76 . 1 1 9 9 DG H8 H 1 7.899 0.005 . 1 . . . . . . . . 4235 1 77 . 1 1 9 9 DG H1' H 1 5.931 0.005 . 1 . . . . . . . . 4235 1 78 . 1 1 9 9 DG H2' H 1 2.611 0.005 . 1 . . . . . . . . 4235 1 79 . 1 1 9 9 DG H2'' H 1 2.718 0.005 . 1 . . . . . . . . 4235 1 80 . 1 1 9 9 DG H3' H 1 4.974 0.005 . 1 . . . . . . . . 4235 1 81 . 1 1 9 9 DG H4' H 1 4.349 0.005 . 1 . . . . . . . . 4235 1 82 . 1 1 9 9 DG P P 31 -0.28 0.02 . 1 . . . . . . . . 4235 1 83 . 1 1 10 10 DC H5 H 1 5.459 0.005 . 1 . . . . . . . . 4235 1 84 . 1 1 10 10 DC H6 H 1 7.439 0.005 . 1 . . . . . . . . 4235 1 85 . 1 1 10 10 DC H1' H 1 6.169 0.005 . 1 . . . . . . . . 4235 1 86 . 1 1 10 10 DC H2' H 1 2.16 0.005 . 2 . . . . . . . . 4235 1 87 . 1 1 10 10 DC H2'' H 1 2.16 0.005 . 2 . . . . . . . . 4235 1 88 . 1 1 10 10 DC H3' H 1 4.475 0.005 . 1 . . . . . . . . 4235 1 89 . 1 1 10 10 DC H4' H 1 4.032 0.005 . 1 . . . . . . . . 4235 1 90 . 1 1 10 10 DC H5' H 1 4.224 0.005 . 2 . . . . . . . . 4235 1 91 . 1 1 10 10 DC P P 31 -0.35 0.02 . 1 . . . . . . . . 4235 1 stop_ save_