data_4400 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4400 _Entry.Title ; Structure and Mechanism of Formation of the H-y5 ismomer of an Intramolecular DNA Triple Helix. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-09-11 _Entry.Accession_date 1999-09-13 _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 M. 'van Dongen' . J.P. . 4400 2 J. Doreleijers . F. . 4400 3 G. 'van der Marel' . A. . 4400 4 J. 'van Boom' . H. . 4400 5 C. Hilbers . W. . 4400 6 S. Wijmenga . S. . 4400 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4400 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 247 4400 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 1999-09-11 update BMRB 'update DNA residue label to two-letter code' 4400 1 . . 1999-10-26 1999-09-11 original author 'original release' 4400 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1B4Y 'BMRB Entry Tracking System' 4400 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4400 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99396740 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; van Dongen, M. J.P., Doreleijers, J. F., van der Marel, G. A., van Boom, J. H., Hilbers, C. W., and Wijmenga, S. S., "Structure and Mechanism of Formation of the H-y5 isomer of an intramolecular DNA triple helix," Nat. Struct. Biol. 6, 854-859 (1999). ; _Citation.Title ; Structure and Mechanism of Formation of the H-y5 isomer of an intramolecular DNA triple helix ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Biol.' _Citation.Journal_name_full 'Nature Structural Biology' _Citation.Journal_volume 6 _Citation.Journal_issue 9 _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 854 _Citation.Page_last 859 _Citation.Year 1999 _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 M. 'van Dongen' . J.P. . 4400 1 2 J. Doreleijers . F. . 4400 1 3 G. 'van der Marel' . A. . 4400 1 4 J. 'van Boom' . H. . 4400 1 5 C. Hilbers . W. . 4400 1 6 S. Wijmenga . S. . 4400 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID DNA 4400 1 H-DNA 4400 1 'NMR structure' 4400 1 'triple helix' 4400 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_h-y5 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_h-y5 _Assembly.Entry_ID 4400 _Assembly.ID 1 _Assembly.Name 'H-y5 Triple Helix' _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 'not present' _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 monomer 4400 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 h-y5 1 $h-y5 . . . native . . . . . 4400 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID h-y5 abbreviation 4400 1 'H-y5 Triple Helix' system 4400 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_h-y5 _Entity.Sf_category entity _Entity.Sf_framecode h-y5 _Entity.Entry_ID 4400 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'H-y5 Triple Helix' _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 ; TCTTCCTTTTCCTTCTCCCG AGAAGGTTTT ; _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 30 _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 . _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 h-y5 abbreviation 4400 1 'H-y5 Triple Helix' common 4400 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 17 DT . 4400 1 2 18 DC . 4400 1 3 19 DT . 4400 1 4 20 DT . 4400 1 5 21 DC . 4400 1 6 22 DC . 4400 1 7 23 DT . 4400 1 8 24 DT . 4400 1 9 25 DT . 4400 1 10 26 DT . 4400 1 11 1 DC . 4400 1 12 2 DC . 4400 1 13 3 DT . 4400 1 14 4 DT . 4400 1 15 5 DC . 4400 1 16 6 DT . 4400 1 17 7 DC . 4400 1 18 8 DC . 4400 1 19 9 DC . 4400 1 20 10 DG . 4400 1 21 11 DA . 4400 1 22 12 DG . 4400 1 23 13 DA . 4400 1 24 14 DA . 4400 1 25 15 DG . 4400 1 26 16 DG . 4400 1 27 27 DT . 4400 1 28 28 DT . 4400 1 29 29 DT . 4400 1 30 30 DT . 4400 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 . DT 1 1 4400 1 . DC 2 2 4400 1 . DT 3 3 4400 1 . DT 4 4 4400 1 . DC 5 5 4400 1 . DC 6 6 4400 1 . DT 7 7 4400 1 . DT 8 8 4400 1 . DT 9 9 4400 1 . DT 10 10 4400 1 . DC 11 11 4400 1 . DC 12 12 4400 1 . DT 13 13 4400 1 . DT 14 14 4400 1 . DC 15 15 4400 1 . DT 16 16 4400 1 . DC 17 17 4400 1 . DC 18 18 4400 1 . DC 19 19 4400 1 . DG 20 20 4400 1 . DA 21 21 4400 1 . DG 22 22 4400 1 . DA 23 23 4400 1 . DA 24 24 4400 1 . DG 25 25 4400 1 . DG 26 26 4400 1 . DT 27 27 4400 1 . DT 28 28 4400 1 . DT 29 29 4400 1 . DT 30 30 4400 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 4400 _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 $h-y5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4400 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 4400 _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 $h-y5 . chemically_synthesized . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4400 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4400 _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 'H-y5 Triple Helix' . . . 1 $h-y5 . . . 2.0 4.0 mM . . . . 4400 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4400 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 4400 1 pH* 4.5 0.2 n/a 4400 1 temperature 298 0.5 K 4400 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 4400 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'assignment book keeping and cross peak integration' 4400 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 4400 _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_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 4400 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unitry-Plus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 4400 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unitry-Plus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4400 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AMX . 600 . . . 4400 1 2 spectrometer_2 Varian Unitry-Plus . 750 . . . 4400 1 3 spectrometer_3 Varian Unitry-Plus . 500 . . . 4400 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 4400 _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 NOESY . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4400 1 2 PE-COSY . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4400 1 3 TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4400 1 4 31P-1H . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4400 1 5 TOCSY-NOESY . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4400 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4400 _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 4400 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4400 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 . 4400 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 DT H1' H 1 6.114 0.002 . . . . . . . . . . 4400 1 2 . 1 1 1 1 DT H71 H 1 1.931 0.001 . . . . . . . . . . 4400 1 3 . 1 1 1 1 DT H72 H 1 1.931 0.001 . . . . . . . . . . 4400 1 4 . 1 1 1 1 DT H73 H 1 1.931 0.001 . . . . . . . . . . 4400 1 5 . 1 1 1 1 DT H6 H 1 7.874 0.001 . . . . . . . . . . 4400 1 6 . 1 1 1 1 DT H2' H 1 2.489 0.003 . . . . . . . . . . 4400 1 7 . 1 1 1 1 DT H2'' H 1 2.668 0.002 . . . . . . . . . . 4400 1 8 . 1 1 2 2 DC H4' H 1 4.348 0.001 . . . . . . . . . . 4400 1 9 . 1 1 2 2 DC H1' H 1 6.195 0.002 . . . . . . . . . . 4400 1 10 . 1 1 2 2 DC H5 H 1 5.853 0.002 . . . . . . . . . . 4400 1 11 . 1 1 2 2 DC H6 H 1 7.943 0.001 . . . . . . . . . . 4400 1 12 . 1 1 2 2 DC H2' H 1 2.397 0.002 . . . . . . . . . . 4400 1 13 . 1 1 2 2 DC H2'' H 1 2.722 0.003 . . . . . . . . . . 4400 1 14 . 1 1 2 2 DC H3' H 1 4.699 0.005 . . . . . . . . . . 4400 1 15 . 1 1 3 3 DT H4' H 1 4.344 0.002 . . . . . . . . . . 4400 1 16 . 1 1 3 3 DT H1' H 1 6.088 0.001 . . . . . . . . . . 4400 1 17 . 1 1 3 3 DT H71 H 1 1.721 0.001 . . . . . . . . . . 4400 1 18 . 1 1 3 3 DT H72 H 1 1.721 0.001 . . . . . . . . . . 4400 1 19 . 1 1 3 3 DT H73 H 1 1.721 0.001 . . . . . . . . . . 4400 1 20 . 1 1 3 3 DT H6 H 1 7.788 0.001 . . . . . . . . . . 4400 1 21 . 1 1 3 3 DT H2' H 1 2.445 0.001 . . . . . . . . . . 4400 1 22 . 1 1 3 3 DT H2'' H 1 2.677 0.003 . . . . . . . . . . 4400 1 23 . 1 1 3 3 DT H3' H 1 4.816 0.002 . . . . . . . . . . 4400 1 24 . 1 1 4 4 DT H1' H 1 6.054 0.002 . . . . . . . . . . 4400 1 25 . 1 1 4 4 DT H71 H 1 1.648 0.001 . . . . . . . . . . 4400 1 26 . 1 1 4 4 DT H72 H 1 1.648 0.001 . . . . . . . . . . 4400 1 27 . 1 1 4 4 DT H73 H 1 1.648 0.001 . . . . . . . . . . 4400 1 28 . 1 1 4 4 DT H6 H 1 7.716 0.001 . . . . . . . . . . 4400 1 29 . 1 1 4 4 DT H2' H 1 2.312 0.001 . . . . . . . . . . 4400 1 30 . 1 1 4 4 DT H2'' H 1 2.656 0.005 . . . . . . . . . . 4400 1 31 . 1 1 4 4 DT H3' H 1 4.827 0.001 . . . . . . . . . . 4400 1 32 . 1 1 5 5 DC H1' H 1 6.089 0.002 . . . . . . . . . . 4400 1 33 . 1 1 5 5 DC H5 H 1 5.809 0.002 . . . . . . . . . . 4400 1 34 . 1 1 5 5 DC H6 H 1 7.860 0.002 . . . . . . . . . . 4400 1 35 . 1 1 5 5 DC H2' H 1 2.091 0.003 . . . . . . . . . . 4400 1 36 . 1 1 5 5 DC H2'' H 1 2.586 0.001 . . . . . . . . . . 4400 1 37 . 1 1 5 5 DC H3' H 1 4.789 0.000 . . . . . . . . . . 4400 1 38 . 1 1 6 6 DC H4' H 1 4.132 0.003 . . . . . . . . . . 4400 1 39 . 1 1 6 6 DC H1' H 1 6.287 0.002 . . . . . . . . . . 4400 1 40 . 1 1 6 6 DC H5 H 1 5.939 0.002 . . . . . . . . . . 4400 1 41 . 1 1 6 6 DC H6 H 1 7.815 0.002 . . . . . . . . . . 4400 1 42 . 1 1 6 6 DC H2' H 1 2.384 0.001 . . . . . . . . . . 4400 1 43 . 1 1 6 6 DC H2'' H 1 2.541 0.002 . . . . . . . . . . 4400 1 44 . 1 1 6 6 DC H3' H 1 4.779 0.001 . . . . . . . . . . 4400 1 45 . 1 1 7 7 DT H5' H 1 4.026 0.000 . . . . . . . . . . 4400 1 46 . 1 1 7 7 DT H5'' H 1 3.995 0.000 . . . . . . . . . . 4400 1 47 . 1 1 7 7 DT H4' H 1 4.137 0.097 . . . . . . . . . . 4400 1 48 . 1 1 7 7 DT H1' H 1 6.132 0.003 . . . . . . . . . . 4400 1 49 . 1 1 7 7 DT H71 H 1 1.846 0.002 . . . . . . . . . . 4400 1 50 . 1 1 7 7 DT H72 H 1 1.846 0.002 . . . . . . . . . . 4400 1 51 . 1 1 7 7 DT H73 H 1 1.846 0.002 . . . . . . . . . . 4400 1 52 . 1 1 7 7 DT H6 H 1 7.630 0.002 . . . . . . . . . . 4400 1 53 . 1 1 7 7 DT H2' H 1 2.134 0.003 . . . . . . . . . . 4400 1 54 . 1 1 7 7 DT H2'' H 1 2.354 0.004 . . . . . . . . . . 4400 1 55 . 1 1 7 7 DT H3' H 1 4.772 0.005 . . . . . . . . . . 4400 1 56 . 1 1 8 8 DT H5' H 1 3.931 0.002 . . . . . . . . . . 4400 1 57 . 1 1 8 8 DT H4' H 1 4.240 0.002 . . . . . . . . . . 4400 1 58 . 1 1 8 8 DT H1' H 1 5.954 0.002 . . . . . . . . . . 4400 1 59 . 1 1 8 8 DT H71 H 1 1.558 0.003 . . . . . . . . . . 4400 1 60 . 1 1 8 8 DT H72 H 1 1.558 0.003 . . . . . . . . . . 4400 1 61 . 1 1 8 8 DT H73 H 1 1.558 0.003 . . . . . . . . . . 4400 1 62 . 1 1 8 8 DT H6 H 1 7.326 0.002 . . . . . . . . . . 4400 1 63 . 1 1 8 8 DT H2' H 1 1.917 0.002 . . . . . . . . . . 4400 1 64 . 1 1 8 8 DT H2'' H 1 2.204 0.003 . . . . . . . . . . 4400 1 65 . 1 1 8 8 DT H3' H 1 4.676 0.002 . . . . . . . . . . 4400 1 66 . 1 1 9 9 DT H5' H 1 3.969 0.004 . . . . . . . . . . 4400 1 67 . 1 1 9 9 DT H5'' H 1 3.882 0.002 . . . . . . . . . . 4400 1 68 . 1 1 9 9 DT H1' H 1 5.896 0.002 . . . . . . . . . . 4400 1 69 . 1 1 9 9 DT H71 H 1 1.463 0.001 . . . . . . . . . . 4400 1 70 . 1 1 9 9 DT H72 H 1 1.463 0.001 . . . . . . . . . . 4400 1 71 . 1 1 9 9 DT H73 H 1 1.463 0.001 . . . . . . . . . . 4400 1 72 . 1 1 9 9 DT H6 H 1 7.291 0.002 . . . . . . . . . . 4400 1 73 . 1 1 9 9 DT H2' H 1 2.013 0.003 . . . . . . . . . . 4400 1 74 . 1 1 9 9 DT H2'' H 1 2.344 0.003 . . . . . . . . . . 4400 1 75 . 1 1 9 9 DT H3' H 1 4.730 0.001 . . . . . . . . . . 4400 1 76 . 1 1 10 10 DT H4' H 1 4.184 0.003 . . . . . . . . . . 4400 1 77 . 1 1 10 10 DT H1' H 1 6.065 0.001 . . . . . . . . . . 4400 1 78 . 1 1 10 10 DT H71 H 1 1.797 0.002 . . . . . . . . . . 4400 1 79 . 1 1 10 10 DT H72 H 1 1.797 0.002 . . . . . . . . . . 4400 1 80 . 1 1 10 10 DT H73 H 1 1.797 0.002 . . . . . . . . . . 4400 1 81 . 1 1 10 10 DT H6 H 1 7.516 0.002 . . . . . . . . . . 4400 1 82 . 1 1 10 10 DT H2' H 1 2.197 0.003 . . . . . . . . . . 4400 1 83 . 1 1 10 10 DT H2'' H 1 2.511 0.004 . . . . . . . . . . 4400 1 84 . 1 1 10 10 DT H3' H 1 4.826 0.002 . . . . . . . . . . 4400 1 85 . 1 1 11 11 DC H4' H 1 4.247 0.002 . . . . . . . . . . 4400 1 86 . 1 1 11 11 DC H1' H 1 5.933 0.001 . . . . . . . . . . 4400 1 87 . 1 1 11 11 DC H5 H 1 5.812 0.002 . . . . . . . . . . 4400 1 88 . 1 1 11 11 DC H6 H 1 7.714 0.003 . . . . . . . . . . 4400 1 89 . 1 1 11 11 DC H2' H 1 2.380 0.003 . . . . . . . . . . 4400 1 90 . 1 1 11 11 DC H2'' H 1 2.508 0.003 . . . . . . . . . . 4400 1 91 . 1 1 11 11 DC H3' H 1 4.837 0.002 . . . . . . . . . . 4400 1 92 . 1 1 12 12 DC H5' H 1 4.188 0.000 . . . . . . . . . . 4400 1 93 . 1 1 12 12 DC H5'' H 1 4.248 0.000 . . . . . . . . . . 4400 1 94 . 1 1 12 12 DC H4' H 1 4.289 0.003 . . . . . . . . . . 4400 1 95 . 1 1 12 12 DC H1' H 1 6.056 0.000 . . . . . . . . . . 4400 1 96 . 1 1 12 12 DC H5 H 1 5.577 0.001 . . . . . . . . . . 4400 1 97 . 1 1 12 12 DC H6 H 1 7.551 0.002 . . . . . . . . . . 4400 1 98 . 1 1 12 12 DC H2' H 1 2.313 0.001 . . . . . . . . . . 4400 1 99 . 1 1 12 12 DC H2'' H 1 2.618 0.002 . . . . . . . . . . 4400 1 100 . 1 1 12 12 DC H3' H 1 4.567 0.002 . . . . . . . . . . 4400 1 101 . 1 1 13 13 DT H4' H 1 4.211 0.002 . . . . . . . . . . 4400 1 102 . 1 1 13 13 DT H1' H 1 6.037 0.002 . . . . . . . . . . 4400 1 103 . 1 1 13 13 DT H71 H 1 1.657 0.001 . . . . . . . . . . 4400 1 104 . 1 1 13 13 DT H72 H 1 1.657 0.001 . . . . . . . . . . 4400 1 105 . 1 1 13 13 DT H73 H 1 1.657 0.001 . . . . . . . . . . 4400 1 106 . 1 1 13 13 DT H6 H 1 7.622 0.001 . . . . . . . . . . 4400 1 107 . 1 1 13 13 DT H2' H 1 2.247 0.002 . . . . . . . . . . 4400 1 108 . 1 1 13 13 DT H2'' H 1 2.663 0.001 . . . . . . . . . . 4400 1 109 . 1 1 13 13 DT H3' H 1 4.847 0.001 . . . . . . . . . . 4400 1 110 . 1 1 14 14 DT H4' H 1 4.208 0.001 . . . . . . . . . . 4400 1 111 . 1 1 14 14 DT H1' H 1 6.032 0.001 . . . . . . . . . . 4400 1 112 . 1 1 14 14 DT H71 H 1 1.696 0.001 . . . . . . . . . . 4400 1 113 . 1 1 14 14 DT H72 H 1 1.696 0.001 . . . . . . . . . . 4400 1 114 . 1 1 14 14 DT H73 H 1 1.696 0.001 . . . . . . . . . . 4400 1 115 . 1 1 14 14 DT H6 H 1 7.607 0.002 . . . . . . . . . . 4400 1 116 . 1 1 14 14 DT H2' H 1 2.393 0.002 . . . . . . . . . . 4400 1 117 . 1 1 14 14 DT H2'' H 1 2.580 0.002 . . . . . . . . . . 4400 1 118 . 1 1 14 14 DT H3' H 1 4.877 0.001 . . . . . . . . . . 4400 1 119 . 1 1 15 15 DC H4' H 1 4.171 0.002 . . . . . . . . . . 4400 1 120 . 1 1 15 15 DC H1' H 1 5.867 0.002 . . . . . . . . . . 4400 1 121 . 1 1 15 15 DC H5 H 1 5.560 0.002 . . . . . . . . . . 4400 1 122 . 1 1 15 15 DC H6 H 1 7.573 0.003 . . . . . . . . . . 4400 1 123 . 1 1 15 15 DC H2' H 1 2.127 0.002 . . . . . . . . . . 4400 1 124 . 1 1 15 15 DC H2'' H 1 2.521 0.002 . . . . . . . . . . 4400 1 125 . 1 1 15 15 DC H3' H 1 4.554 0.001 . . . . . . . . . . 4400 1 126 . 1 1 16 16 DT H4' H 1 4.269 0.001 . . . . . . . . . . 4400 1 127 . 1 1 16 16 DT H1' H 1 6.064 0.002 . . . . . . . . . . 4400 1 128 . 1 1 16 16 DT H71 H 1 1.613 0.002 . . . . . . . . . . 4400 1 129 . 1 1 16 16 DT H72 H 1 1.613 0.002 . . . . . . . . . . 4400 1 130 . 1 1 16 16 DT H73 H 1 1.613 0.002 . . . . . . . . . . 4400 1 131 . 1 1 16 16 DT H6 H 1 7.649 0.001 . . . . . . . . . . 4400 1 132 . 1 1 16 16 DT H2' H 1 2.529 0.003 . . . . . . . . . . 4400 1 133 . 1 1 16 16 DT H2'' H 1 2.258 0.002 . . . . . . . . . . 4400 1 134 . 1 1 16 16 DT H3' H 1 4.819 0.002 . . . . . . . . . . 4400 1 135 . 1 1 17 17 DC H5' H 1 4.034 0.001 . . . . . . . . . . 4400 1 136 . 1 1 17 17 DC H5'' H 1 4.096 0.002 . . . . . . . . . . 4400 1 137 . 1 1 17 17 DC H4' H 1 4.283 0.001 . . . . . . . . . . 4400 1 138 . 1 1 17 17 DC H1' H 1 5.804 0.002 . . . . . . . . . . 4400 1 139 . 1 1 17 17 DC H5 H 1 5.637 0.001 . . . . . . . . . . 4400 1 140 . 1 1 17 17 DC H6 H 1 7.697 0.003 . . . . . . . . . . 4400 1 141 . 1 1 17 17 DC H2' H 1 2.103 0.002 . . . . . . . . . . 4400 1 142 . 1 1 17 17 DC H2'' H 1 2.349 0.003 . . . . . . . . . . 4400 1 143 . 1 1 17 17 DC H3' H 1 4.855 0.002 . . . . . . . . . . 4400 1 144 . 1 1 18 18 DC H5' H 1 4.257 0.004 . . . . . . . . . . 4400 1 145 . 1 1 18 18 DC H5'' H 1 4.029 0.001 . . . . . . . . . . 4400 1 146 . 1 1 18 18 DC H4' H 1 4.324 0.003 . . . . . . . . . . 4400 1 147 . 1 1 18 18 DC H1' H 1 6.140 0.001 . . . . . . . . . . 4400 1 148 . 1 1 18 18 DC H5 H 1 6.390 0.001 . . . . . . . . . . 4400 1 149 . 1 1 18 18 DC H6 H 1 8.305 0.001 . . . . . . . . . . 4400 1 150 . 1 1 18 18 DC H2' H 1 1.701 0.002 . . . . . . . . . . 4400 1 151 . 1 1 18 18 DC H2'' H 1 2.208 0.002 . . . . . . . . . . 4400 1 152 . 1 1 18 18 DC H3' H 1 4.606 0.002 . . . . . . . . . . 4400 1 153 . 1 1 19 19 DC H5' H 1 3.329 0.001 . . . . . . . . . . 4400 1 154 . 1 1 19 19 DC H5'' H 1 3.524 0.002 . . . . . . . . . . 4400 1 155 . 1 1 19 19 DC H4' H 1 3.139 0.003 . . . . . . . . . . 4400 1 156 . 1 1 19 19 DC H1' H 1 5.267 0.001 . . . . . . . . . . 4400 1 157 . 1 1 19 19 DC H5 H 1 5.743 0.002 . . . . . . . . . . 4400 1 158 . 1 1 19 19 DC H6 H 1 7.537 0.001 . . . . . . . . . . 4400 1 159 . 1 1 19 19 DC H2' H 1 1.649 0.001 . . . . . . . . . . 4400 1 160 . 1 1 19 19 DC H2'' H 1 2.057 0.001 . . . . . . . . . . 4400 1 161 . 1 1 19 19 DC H3' H 1 4.322 0.001 . . . . . . . . . . 4400 1 162 . 1 1 20 20 DG H5' H 1 4.253 0.001 . . . . . . . . . . 4400 1 163 . 1 1 20 20 DG H5'' H 1 4.191 0.001 . . . . . . . . . . 4400 1 164 . 1 1 20 20 DG H4' H 1 3.749 0.001 . . . . . . . . . . 4400 1 165 . 1 1 20 20 DG H1' H 1 5.838 0.002 . . . . . . . . . . 4400 1 166 . 1 1 20 20 DG H8 H 1 6.894 0.001 . . . . . . . . . . 4400 1 167 . 1 1 20 20 DG H2' H 1 3.625 0.003 . . . . . . . . . . 4400 1 168 . 1 1 20 20 DG H2'' H 1 2.566 0.003 . . . . . . . . . . 4400 1 169 . 1 1 20 20 DG H3' H 1 4.689 0.001 . . . . . . . . . . 4400 1 170 . 1 1 21 21 DA H5' H 1 3.992 0.002 . . . . . . . . . . 4400 1 171 . 1 1 21 21 DA H5'' H 1 4.099 0.001 . . . . . . . . . . 4400 1 172 . 1 1 21 21 DA H4' H 1 4.431 0.001 . . . . . . . . . . 4400 1 173 . 1 1 21 21 DA H1' H 1 6.284 0.001 . . . . . . . . . . 4400 1 174 . 1 1 21 21 DA H2 H 1 7.610 0.002 . . . . . . . . . . 4400 1 175 . 1 1 21 21 DA H8 H 1 8.101 0.002 . . . . . . . . . . 4400 1 176 . 1 1 21 21 DA H2' H 1 2.952 0.001 . . . . . . . . . . 4400 1 177 . 1 1 21 21 DA H2'' H 1 3.015 0.002 . . . . . . . . . . 4400 1 178 . 1 1 21 21 DA H3' H 1 5.061 0.001 . . . . . . . . . . 4400 1 179 . 1 1 22 22 DG H5' H 1 4.197 0.001 . . . . . . . . . . 4400 1 180 . 1 1 22 22 DG H5'' H 1 4.107 0.000 . . . . . . . . . . 4400 1 181 . 1 1 22 22 DG H4' H 1 4.464 0.001 . . . . . . . . . . 4400 1 182 . 1 1 22 22 DG H1' H 1 5.896 0.002 . . . . . . . . . . 4400 1 183 . 1 1 22 22 DG H8 H 1 7.216 0.002 . . . . . . . . . . 4400 1 184 . 1 1 22 22 DG H2' H 1 2.411 0.002 . . . . . . . . . . 4400 1 185 . 1 1 22 22 DG H2'' H 1 2.914 0.002 . . . . . . . . . . 4400 1 186 . 1 1 22 22 DG H3' H 1 4.935 0.002 . . . . . . . . . . 4400 1 187 . 1 1 23 23 DA H4' H 1 4.419 0.001 . . . . . . . . . . 4400 1 188 . 1 1 23 23 DA H1' H 1 5.875 0.002 . . . . . . . . . . 4400 1 189 . 1 1 23 23 DA H2 H 1 7.153 0.001 . . . . . . . . . . 4400 1 190 . 1 1 23 23 DA H8 H 1 7.212 0.001 . . . . . . . . . . 4400 1 191 . 1 1 23 23 DA H2' H 1 2.209 0.003 . . . . . . . . . . 4400 1 192 . 1 1 23 23 DA H2'' H 1 2.833 0.001 . . . . . . . . . . 4400 1 193 . 1 1 23 23 DA H3' H 1 4.825 0.002 . . . . . . . . . . 4400 1 194 . 1 1 24 24 DA H4' H 1 4.385 0.001 . . . . . . . . . . 4400 1 195 . 1 1 24 24 DA H1' H 1 5.904 0.002 . . . . . . . . . . 4400 1 196 . 1 1 24 24 DA H2 H 1 7.496 0.002 . . . . . . . . . . 4400 1 197 . 1 1 24 24 DA H8 H 1 7.515 0.002 . . . . . . . . . . 4400 1 198 . 1 1 24 24 DA H2' H 1 2.261 0.002 . . . . . . . . . . 4400 1 199 . 1 1 24 24 DA H2'' H 1 2.746 0.002 . . . . . . . . . . 4400 1 200 . 1 1 24 24 DA H3' H 1 4.816 0.002 . . . . . . . . . . 4400 1 201 . 1 1 25 25 DG H4' H 1 4.312 0.001 . . . . . . . . . . 4400 1 202 . 1 1 25 25 DG H1' H 1 5.732 0.002 . . . . . . . . . . 4400 1 203 . 1 1 25 25 DG H8 H 1 7.366 0.002 . . . . . . . . . . 4400 1 204 . 1 1 25 25 DG H2' H 1 2.333 0.002 . . . . . . . . . . 4400 1 205 . 1 1 25 25 DG H2'' H 1 2.662 0.003 . . . . . . . . . . 4400 1 206 . 1 1 25 25 DG H3' H 1 4.861 0.001 . . . . . . . . . . 4400 1 207 . 1 1 26 26 DG H4' H 1 4.231 0.073 . . . . . . . . . . 4400 1 208 . 1 1 26 26 DG H1' H 1 5.900 0.001 . . . . . . . . . . 4400 1 209 . 1 1 26 26 DG H8 H 1 7.378 0.003 . . . . . . . . . . 4400 1 210 . 1 1 26 26 DG H2' H 1 2.321 0.002 . . . . . . . . . . 4400 1 211 . 1 1 26 26 DG H2'' H 1 2.616 0.004 . . . . . . . . . . 4400 1 212 . 1 1 26 26 DG H3' H 1 4.804 0.001 . . . . . . . . . . 4400 1 213 . 1 1 27 27 DT H4' H 1 4.045 0.002 . . . . . . . . . . 4400 1 214 . 1 1 27 27 DT H1' H 1 5.902 0.002 . . . . . . . . . . 4400 1 215 . 1 1 27 27 DT H71 H 1 1.409 0.002 . . . . . . . . . . 4400 1 216 . 1 1 27 27 DT H72 H 1 1.409 0.002 . . . . . . . . . . 4400 1 217 . 1 1 27 27 DT H73 H 1 1.409 0.002 . . . . . . . . . . 4400 1 218 . 1 1 27 27 DT H6 H 1 7.035 0.001 . . . . . . . . . . 4400 1 219 . 1 1 27 27 DT H2' H 1 2.061 0.001 . . . . . . . . . . 4400 1 220 . 1 1 27 27 DT H2'' H 1 2.273 0.002 . . . . . . . . . . 4400 1 221 . 1 1 27 27 DT H3' H 1 4.774 0.002 . . . . . . . . . . 4400 1 222 . 1 1 28 28 DT H1' H 1 6.085 0.001 . . . . . . . . . . 4400 1 223 . 1 1 28 28 DT H71 H 1 1.713 0.002 . . . . . . . . . . 4400 1 224 . 1 1 28 28 DT H72 H 1 1.713 0.002 . . . . . . . . . . 4400 1 225 . 1 1 28 28 DT H73 H 1 1.713 0.002 . . . . . . . . . . 4400 1 226 . 1 1 28 28 DT H6 H 1 7.483 0.001 . . . . . . . . . . 4400 1 227 . 1 1 28 28 DT H2' H 1 2.187 0.002 . . . . . . . . . . 4400 1 228 . 1 1 28 28 DT H2'' H 1 2.390 0.002 . . . . . . . . . . 4400 1 229 . 1 1 28 28 DT H3' H 1 4.788 0.001 . . . . . . . . . . 4400 1 230 . 1 1 29 29 DT H4' H 1 4.221 0.000 . . . . . . . . . . 4400 1 231 . 1 1 29 29 DT H1' H 1 6.168 0.002 . . . . . . . . . . 4400 1 232 . 1 1 29 29 DT H71 H 1 1.775 0.003 . . . . . . . . . . 4400 1 233 . 1 1 29 29 DT H72 H 1 1.775 0.003 . . . . . . . . . . 4400 1 234 . 1 1 29 29 DT H73 H 1 1.775 0.003 . . . . . . . . . . 4400 1 235 . 1 1 29 29 DT H6 H 1 7.551 0.001 . . . . . . . . . . 4400 1 236 . 1 1 29 29 DT H2' H 1 2.259 0.000 . . . . . . . . . . 4400 1 237 . 1 1 29 29 DT H2'' H 1 2.433 0.001 . . . . . . . . . . 4400 1 238 . 1 1 29 29 DT H3' H 1 4.789 0.001 . . . . . . . . . . 4400 1 239 . 1 1 30 30 DT H4' H 1 4.056 0.002 . . . . . . . . . . 4400 1 240 . 1 1 30 30 DT H1' H 1 6.207 0.001 . . . . . . . . . . 4400 1 241 . 1 1 30 30 DT H71 H 1 1.797 0.002 . . . . . . . . . . 4400 1 242 . 1 1 30 30 DT H72 H 1 1.797 0.002 . . . . . . . . . . 4400 1 243 . 1 1 30 30 DT H73 H 1 1.797 0.002 . . . . . . . . . . 4400 1 244 . 1 1 30 30 DT H6 H 1 7.596 0.001 . . . . . . . . . . 4400 1 245 . 1 1 30 30 DT H2' H 1 2.270 0.002 . . . . . . . . . . 4400 1 246 . 1 1 30 30 DT H2'' H 1 2.283 0.000 . . . . . . . . . . 4400 1 247 . 1 1 30 30 DT H3' H 1 4.497 0.001 . . . . . . . . . . 4400 1 stop_ save_