data_5655 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5655 _Entry.Title ; U80G U6 ISL RNA Chemical Shifts ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-12-05 _Entry.Accession_date 2003-01-13 _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 Dipali Sashital . G. . 5655 2 Anne Allmann . M. . 5655 3 Steve 'Van Doren' . . . 5655 4 Samuel Butcher . E. . 5655 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5655 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 138 5655 '15N chemical shifts' 15 5655 '1H chemical shifts' 203 5655 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 . . 2003-02-25 . original author 'Original release' 5655 1 . . 2009-06-02 . update BMRB 'complete entry citation' 5655 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5371 'Wild Type U6 RNA' 5655 PDB 1NC0 'BMRB Entry Tracking System' 5655 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5655 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12578359 _Citation.Full_citation . _Citation.Title 'Structural basis for a lethal mutation in U6 RNA' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 42 _Citation.Journal_issue 6 _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 1470 _Citation.Page_last 1477 _Citation.Year 2003 _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 D. Sashital . G. . 5655 1 2 A. Allmann . M. . 5655 1 3 S. 'Van Doren' . R. . 5655 1 4 S. Butcher . E. . 5655 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_molecular_system_U6_ISL_RNA _Assembly.Sf_category assembly _Assembly.Sf_framecode molecular_system_U6_ISL_RNA _Assembly.Entry_ID 5655 _Assembly.ID 1 _Assembly.Name 'U80G U6 ISL RNA' _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 5655 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 'U80G U6 ISL RNA' 1 $U6_ISL_RNA . . . native . . . . . 5655 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 . PDB 1NC0 . . . . . . 5655 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'U80G U6 ISL RNA' abbreviation 5655 1 'U80G U6 ISL RNA' system 5655 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_U6_ISL_RNA _Entity.Sf_category entity _Entity.Sf_framecode U6_ISL_RNA _Entity.Entry_ID 5655 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'U6 ISL RNA' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGUUCCCCUGCAUAAGGAGG AACC ; _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 24 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'U6 ISL RNA' abbreviation 5655 1 'U6 ISL RNA' common 5655 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 . G . 5655 1 2 . G . 5655 1 3 . U . 5655 1 4 . U . 5655 1 5 . C . 5655 1 6 . C . 5655 1 7 . C . 5655 1 8 . C . 5655 1 9 . U . 5655 1 10 . G . 5655 1 11 . C . 5655 1 12 . A . 5655 1 13 . U . 5655 1 14 . A . 5655 1 15 . A . 5655 1 16 . G . 5655 1 17 . G . 5655 1 18 . A . 5655 1 19 . G . 5655 1 20 . G . 5655 1 21 . A . 5655 1 22 . A . 5655 1 23 . C . 5655 1 24 . C . 5655 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 . G 1 1 5655 1 . G 2 2 5655 1 . U 3 3 5655 1 . U 4 4 5655 1 . C 5 5 5655 1 . C 6 6 5655 1 . C 7 7 5655 1 . C 8 8 5655 1 . U 9 9 5655 1 . G 10 10 5655 1 . C 11 11 5655 1 . A 12 12 5655 1 . U 13 13 5655 1 . A 14 14 5655 1 . A 15 15 5655 1 . G 16 16 5655 1 . G 17 17 5655 1 . A 18 18 5655 1 . G 19 19 5655 1 . G 20 20 5655 1 . A 21 21 5655 1 . A 22 22 5655 1 . C 23 23 5655 1 . C 24 24 5655 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 5655 _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 $U6_ISL_RNA . 4932 organism . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 5655 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 5655 _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 $U6_ISL_RNA . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5655 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5655 _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 'U6 ISL RNA' '[U-13C; U-15N]' . . 1 $U6_ISL_RNA . . 1.5 . . mM . . . . 5655 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 5655 _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 6.5 . n/a 5655 1 temperature 303 0.5 K 5655 1 stop_ save_ ############################ # Computer software used # ############################ save_software _Software.Sf_category software _Software.Sf_framecode software _Software.Entry_ID 5655 _Software.ID 1 _Software.Name CNS _Software.Version 1.1 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5655 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 400 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5655 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5655 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 5655 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details 'QNP (Quadruple nucleus probe) tuned to phosphorous' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5655 _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_1 Bruker DMX . 400 . . . 5655 1 2 NMR_spectrometer_2 Bruker DMX . 500 . . . 5655 1 3 NMR_spectrometer_3 Bruker DMX . 600 cryoprobe . . 5655 1 4 NMR_spectrometer_4 Bruker DMX . 750 'QNP (Quadruple nucleus probe) tuned to phosphorous' . . 5655 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 5655 _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 . . . . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5655 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 5655 _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 C 13 TSP 'methyl protons' . . . . ppm 0 . . 0.251449530 . indirect . 1 $entry_citation . . 1 $entry_citation 5655 1 H 1 TSP 'methyl protons' . . . . ppm 0 internal indirect 1.0 internal cylindrical parallel 1 $entry_citation . . 1 $entry_citation 5655 1 N 15 TSP 'methyl protons' . . . . ppm 0 . . 0.101329118 . indirect . 1 $entry_citation . . 1 $entry_citation 5655 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5655 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $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 . 5655 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 G N1 N 15 147.05 0.100 . 1 . . . . . . . . 5655 1 2 . 1 1 1 1 G C8 C 13 139.243 0.100 . 1 . . . . . . . . 5655 1 3 . 1 1 1 1 G C5' C 13 66.668 0.107 . 1 . . . . . . . . 5655 1 4 . 1 1 1 1 G C4' C 13 83.497 0.198 . 1 . . . . . . . . 5655 1 5 . 1 1 1 1 G C3' C 13 74.353 0.150 . 1 . . . . . . . . 5655 1 6 . 1 1 1 1 G C2' C 13 75.502 0.180 . 1 . . . . . . . . 5655 1 7 . 1 1 1 1 G C1' C 13 92.294 0.113 . 1 . . . . . . . . 5655 1 8 . 1 1 1 1 G H8 H 1 8.154 0.004 . 1 . . . . . . . . 5655 1 9 . 1 1 1 1 G H5' H 1 4.278 0.002 . 1 . . . . . . . . 5655 1 10 . 1 1 1 1 G H5'' H 1 4.428 0.027 . 1 . . . . . . . . 5655 1 11 . 1 1 1 1 G H4' H 1 4.561 0.003 . 1 . . . . . . . . 5655 1 12 . 1 1 1 1 G H3' H 1 4.727 0.037 . 1 . . . . . . . . 5655 1 13 . 1 1 1 1 G H2' H 1 4.967 0.027 . 1 . . . . . . . . 5655 1 14 . 1 1 1 1 G H1' H 1 5.835 0.004 . 1 . . . . . . . . 5655 1 15 . 1 1 1 1 G H1 H 1 12.954 0.008 . 1 . . . . . . . . 5655 1 16 . 1 1 2 2 G H22 H 1 6.221 0.013 . 1 . . . . . . . . 5655 1 17 . 1 1 2 2 G H21 H 1 8.537 0.013 . 1 . . . . . . . . 5655 1 18 . 1 1 2 2 G N1 N 15 148.101 0.100 . 1 . . . . . . . . 5655 1 19 . 1 1 2 2 G C8 C 13 137.084 0.100 . 1 . . . . . . . . 5655 1 20 . 1 1 2 2 G C1' C 13 91.599 0.150 . 1 . . . . . . . . 5655 1 21 . 1 1 2 2 G H8 H 1 7.587 0.003 . 1 . . . . . . . . 5655 1 22 . 1 1 2 2 G H5'' H 1 4.252 0.009 . 1 . . . . . . . . 5655 1 23 . 1 1 2 2 G H5' H 1 4.236 0.010 . 1 . . . . . . . . 5655 1 24 . 1 1 2 2 G H4' H 1 4.51 0.006 . 1 . . . . . . . . 5655 1 25 . 1 1 2 2 G H3' H 1 4.428 0.006 . 1 . . . . . . . . 5655 1 26 . 1 1 2 2 G H2' H 1 4.561 0.003 . 1 . . . . . . . . 5655 1 27 . 1 1 2 2 G H1' H 1 5.936 0.002 . 1 . . . . . . . . 5655 1 28 . 1 1 2 2 G H1 H 1 13.457 0.008 . 1 . . . . . . . . 5655 1 29 . 1 1 3 3 U N3 N 15 162.313 0.107 . 1 . . . . . . . . 5655 1 30 . 1 1 3 3 U C6 C 13 141.893 0.150 . 1 . . . . . . . . 5655 1 31 . 1 1 3 3 U C5' C 13 64.806 0.107 . 1 . . . . . . . . 5655 1 32 . 1 1 3 3 U C5 C 13 102.821 0.100 . 1 . . . . . . . . 5655 1 33 . 1 1 3 3 U C4' C 13 82.536 0.100 . 1 . . . . . . . . 5655 1 34 . 1 1 3 3 U C3' C 13 72.697 0.100 . 1 . . . . . . . . 5655 1 35 . 1 1 3 3 U C2' C 13 75.76 0.100 . 1 . . . . . . . . 5655 1 36 . 1 1 3 3 U C1' C 13 94.108 0.100 . 1 . . . . . . . . 5655 1 37 . 1 1 3 3 U H6 H 1 7.844 0.004 . 1 . . . . . . . . 5655 1 38 . 1 1 3 3 U H5' H 1 4.135 0.001 . 1 . . . . . . . . 5655 1 39 . 1 1 3 3 U H5 H 1 5.134 0.001 . 1 . . . . . . . . 5655 1 40 . 1 1 3 3 U H4' H 1 4.487 0.001 . 1 . . . . . . . . 5655 1 41 . 1 1 3 3 U H3' H 1 4.504 0.013 . 1 . . . . . . . . 5655 1 42 . 1 1 3 3 U H2' H 1 4.518 0.012 . 1 . . . . . . . . 5655 1 43 . 1 1 3 3 U H1' H 1 5.618 0.004 . 1 . . . . . . . . 5655 1 44 . 1 1 3 3 U H3 H 1 14.428 0.004 . 1 . . . . . . . . 5655 1 45 . 1 1 4 4 U N3 N 15 162.806 0.200 . 1 . . . . . . . . 5655 1 46 . 1 1 4 4 U C6 C 13 142.436 0.150 . 1 . . . . . . . . 5655 1 47 . 1 1 4 4 U C5' C 13 65.187 0.009 . 1 . . . . . . . . 5655 1 48 . 1 1 4 4 U C5 C 13 103.463 0.150 . 1 . . . . . . . . 5655 1 49 . 1 1 4 4 U C4' C 13 82.397 0.150 . 1 . . . . . . . . 5655 1 50 . 1 1 4 4 U C3' C 13 73.067 0.150 . 1 . . . . . . . . 5655 1 51 . 1 1 4 4 U C2' C 13 75.863 0.150 . 1 . . . . . . . . 5655 1 52 . 1 1 4 4 U C1' C 13 93.968 0.150 . 1 . . . . . . . . 5655 1 53 . 1 1 4 4 U H6 H 1 8.026 0.003 . 1 . . . . . . . . 5655 1 54 . 1 1 4 4 U H5' H 1 4.136 0.011 . 1 . . . . . . . . 5655 1 55 . 1 1 4 4 U H5'' H 1 4.552 0.007 . 1 . . . . . . . . 5655 1 56 . 1 1 4 4 U H5 H 1 5.616 0.003 . 1 . . . . . . . . 5655 1 57 . 1 1 4 4 U H4' H 1 4.491 0.006 . 1 . . . . . . . . 5655 1 58 . 1 1 4 4 U H3' H 1 4.526 0.006 . 1 . . . . . . . . 5655 1 59 . 1 1 4 4 U H2' H 1 4.487 0.002 . 1 . . . . . . . . 5655 1 60 . 1 1 4 4 U H1' H 1 5.692 0.008 . 1 . . . . . . . . 5655 1 61 . 1 1 4 4 U H3 H 1 13.881 0.013 . 1 . . . . . . . . 5655 1 62 . 1 1 5 5 C H42 H 1 7.015 0.005 . 1 . . . . . . . . 5655 1 63 . 1 1 5 5 C H41 H 1 8.452 0.007 . 1 . . . . . . . . 5655 1 64 . 1 1 5 5 C N3 N 15 198.083 0.200 . 1 . . . . . . . . 5655 1 65 . 1 1 5 5 C C6 C 13 141.766 0.150 . 1 . . . . . . . . 5655 1 66 . 1 1 5 5 C C5' C 13 65.439 0.047 . 1 . . . . . . . . 5655 1 67 . 1 1 5 5 C C5 C 13 97.686 0.027 . 1 . . . . . . . . 5655 1 68 . 1 1 5 5 C C4' C 13 82.172 0.150 . 1 . . . . . . . . 5655 1 69 . 1 1 5 5 C C3' C 13 75.979 0.150 . 1 . . . . . . . . 5655 1 70 . 1 1 5 5 C C2' C 13 72.95 0.150 . 1 . . . . . . . . 5655 1 71 . 1 1 5 5 C C1' C 13 94.14 0.129 . 1 . . . . . . . . 5655 1 72 . 1 1 5 5 C H6 H 1 7.884 0.043 . 1 . . . . . . . . 5655 1 73 . 1 1 5 5 C H5' H 1 4.136 0.005 . 1 . . . . . . . . 5655 1 74 . 1 1 5 5 C H5'' H 1 4.562 0.004 . 1 . . . . . . . . 5655 1 75 . 1 1 5 5 C H5 H 1 5.681 0.009 . 1 . . . . . . . . 5655 1 76 . 1 1 5 5 C H4' H 1 4.473 0.002 . 1 . . . . . . . . 5655 1 77 . 1 1 5 5 C H3' H 1 4.407 0.008 . 1 . . . . . . . . 5655 1 78 . 1 1 5 5 C H2' H 1 4.459 0.003 . 1 . . . . . . . . 5655 1 79 . 1 1 5 5 C H1' H 1 5.571 0.001 . 1 . . . . . . . . 5655 1 80 . 1 1 6 6 C H41 H 1 8.351 0.008 . 1 . . . . . . . . 5655 1 81 . 1 1 6 6 C N3 N 15 196.244 0.200 . 1 . . . . . . . . 5655 1 82 . 1 1 6 6 C C6 C 13 141.292 0.150 . 1 . . . . . . . . 5655 1 83 . 1 1 6 6 C C5' C 13 64.775 0.024 . 1 . . . . . . . . 5655 1 84 . 1 1 6 6 C C5 C 13 97.822 0.136 . 1 . . . . . . . . 5655 1 85 . 1 1 6 6 C C4' C 13 82.878 0.150 . 1 . . . . . . . . 5655 1 86 . 1 1 6 6 C C3' C 13 75.399 0.150 . 1 . . . . . . . . 5655 1 87 . 1 1 6 6 C C2' C 13 76.059 0.189 . 1 . . . . . . . . 5655 1 88 . 1 1 6 6 C C1' C 13 93.309 0.273 . 1 . . . . . . . . 5655 1 89 . 1 1 6 6 C H6 H 1 7.73 0.046 . 1 . . . . . . . . 5655 1 90 . 1 1 6 6 C H5' H 1 4.095 0.002 . 1 . . . . . . . . 5655 1 91 . 1 1 6 6 C H5'' H 1 4.566 0.001 . 1 . . . . . . . . 5655 1 92 . 1 1 6 6 C H5 H 1 5.574 0.003 . 1 . . . . . . . . 5655 1 93 . 1 1 6 6 C H4' H 1 4.465 0.004 . 1 . . . . . . . . 5655 1 94 . 1 1 6 6 C H3' H 1 4.558 0.008 . 1 . . . . . . . . 5655 1 95 . 1 1 6 6 C H2' H 1 4.349 0.003 . 1 . . . . . . . . 5655 1 96 . 1 1 6 6 C H1' H 1 5.515 0.002 . 1 . . . . . . . . 5655 1 97 . 1 1 7 7 C H42 H 1 7.068 0.005 . 1 . . . . . . . . 5655 1 98 . 1 1 7 7 C H41 H 1 8.429 0.005 . 1 . . . . . . . . 5655 1 99 . 1 1 7 7 C N3 N 15 198.053 0.200 . 1 . . . . . . . . 5655 1 100 . 1 1 7 7 C C6 C 13 141.59 0.150 . 1 . . . . . . . . 5655 1 101 . 1 1 7 7 C C5' C 13 64.462 0.113 . 1 . . . . . . . . 5655 1 102 . 1 1 7 7 C C5 C 13 97.695 0.150 . 1 . . . . . . . . 5655 1 103 . 1 1 7 7 C C4' C 13 82.249 0.150 . 1 . . . . . . . . 5655 1 104 . 1 1 7 7 C C3' C 13 75.622 0.150 . 1 . . . . . . . . 5655 1 105 . 1 1 7 7 C C2' C 13 72.474 0.150 . 1 . . . . . . . . 5655 1 106 . 1 1 7 7 C C1' C 13 94.463 0.164 . 1 . . . . . . . . 5655 1 107 . 1 1 7 7 C H6 H 1 7.878 0.003 . 1 . . . . . . . . 5655 1 108 . 1 1 7 7 C H5' H 1 4.079 0.017 . 1 . . . . . . . . 5655 1 109 . 1 1 7 7 C H5'' H 1 4.531 0.014 . 1 . . . . . . . . 5655 1 110 . 1 1 7 7 C H5 H 1 5.661 0.004 . 1 . . . . . . . . 5655 1 111 . 1 1 7 7 C H4' H 1 4.391 0.017 . 1 . . . . . . . . 5655 1 112 . 1 1 7 7 C H3' H 1 4.35 0.002 . 1 . . . . . . . . 5655 1 113 . 1 1 7 7 C H2' H 1 4.521 0.004 . 1 . . . . . . . . 5655 1 114 . 1 1 7 7 C H1' H 1 5.447 0.004 . 1 . . . . . . . . 5655 1 115 . 1 1 8 8 C H42 H 1 7.112 0.005 . 1 . . . . . . . . 5655 1 116 . 1 1 8 8 C H41 H 1 8.391 0.005 . 1 . . . . . . . . 5655 1 117 . 1 1 8 8 C C6 C 13 141.453 0.150 . 1 . . . . . . . . 5655 1 118 . 1 1 8 8 C C5' C 13 64.486 0.101 . 1 . . . . . . . . 5655 1 119 . 1 1 8 8 C C5 C 13 97.806 0.134 . 1 . . . . . . . . 5655 1 120 . 1 1 8 8 C C4' C 13 82.069 0.150 . 1 . . . . . . . . 5655 1 121 . 1 1 8 8 C C3' C 13 72.427 0.150 . 1 . . . . . . . . 5655 1 122 . 1 1 8 8 C C2' C 13 75.895 0.150 . 1 . . . . . . . . 5655 1 123 . 1 1 8 8 C C1' C 13 94.055 0.148 . 1 . . . . . . . . 5655 1 124 . 1 1 8 8 C H6 H 1 7.803 0.002 . 1 . . . . . . . . 5655 1 125 . 1 1 8 8 C H5' H 1 4.054 0.005 . 1 . . . . . . . . 5655 1 126 . 1 1 8 8 C H5'' H 1 4.515 0.018 . 1 . . . . . . . . 5655 1 127 . 1 1 8 8 C H5 H 1 5.567 0.005 . 1 . . . . . . . . 5655 1 128 . 1 1 8 8 C H4' H 1 4.334 0.002 . 1 . . . . . . . . 5655 1 129 . 1 1 8 8 C H3' H 1 4.466 0.007 . 1 . . . . . . . . 5655 1 130 . 1 1 8 8 C H2' H 1 4.229 0.010 . 1 . . . . . . . . 5655 1 131 . 1 1 8 8 C H1' H 1 5.357 0.001 . 1 . . . . . . . . 5655 1 132 . 1 1 9 9 U C6 C 13 140.851 0.150 . 1 . . . . . . . . 5655 1 133 . 1 1 9 9 U C5' C 13 64.815 0.150 . 1 . . . . . . . . 5655 1 134 . 1 1 9 9 U C5 C 13 104.26 0.150 . 1 . . . . . . . . 5655 1 135 . 1 1 9 9 U C4' C 13 82.528 0.150 . 1 . . . . . . . . 5655 1 136 . 1 1 9 9 U C3' C 13 76.121 0.150 . 1 . . . . . . . . 5655 1 137 . 1 1 9 9 U C2' C 13 72.853 0.150 . 1 . . . . . . . . 5655 1 138 . 1 1 9 9 U C1' C 13 93.835 0.150 . 1 . . . . . . . . 5655 1 139 . 1 1 9 9 U H6 H 1 7.587 0.004 . 1 . . . . . . . . 5655 1 140 . 1 1 9 9 U H5' H 1 4.072 0.002 . 1 . . . . . . . . 5655 1 141 . 1 1 9 9 U H5'' H 1 4.479 0.001 . 1 . . . . . . . . 5655 1 142 . 1 1 9 9 U H5 H 1 5.297 0.002 . 1 . . . . . . . . 5655 1 143 . 1 1 9 9 U H4' H 1 4.362 0.002 . 1 . . . . . . . . 5655 1 144 . 1 1 9 9 U H3' H 1 4.445 0.013 . 1 . . . . . . . . 5655 1 145 . 1 1 9 9 U H2' H 1 4.456 0.003 . 1 . . . . . . . . 5655 1 146 . 1 1 9 9 U H1' H 1 5.56 0.003 . 1 . . . . . . . . 5655 1 147 . 1 1 10 10 G C8 C 13 137.097 0.150 . 1 . . . . . . . . 5655 1 148 . 1 1 10 10 G C5' C 13 66.095 0.150 . 1 . . . . . . . . 5655 1 149 . 1 1 10 10 G C4' C 13 83.319 0.150 . 1 . . . . . . . . 5655 1 150 . 1 1 10 10 G C3' C 13 74.21 0.150 . 1 . . . . . . . . 5655 1 151 . 1 1 10 10 G C2' C 13 75.738 0.150 . 1 . . . . . . . . 5655 1 152 . 1 1 10 10 G C1' C 13 92.556 0.150 . 1 . . . . . . . . 5655 1 153 . 1 1 10 10 G H8 H 1 7.683 0.003 . 1 . . . . . . . . 5655 1 154 . 1 1 10 10 G H5' H 1 4.09 0.003 . 1 . . . . . . . . 5655 1 155 . 1 1 10 10 G H5'' H 1 4.36 0.005 . 1 . . . . . . . . 5655 1 156 . 1 1 10 10 G H4' H 1 4.416 0.005 . 1 . . . . . . . . 5655 1 157 . 1 1 10 10 G H3' H 1 4.568 0.001 . 1 . . . . . . . . 5655 1 158 . 1 1 10 10 G H2' H 1 4.435 0.006 . 1 . . . . . . . . 5655 1 159 . 1 1 10 10 G H1' H 1 5.569 0.002 . 1 . . . . . . . . 5655 1 160 . 1 1 11 11 C C6 C 13 142.515 0.150 . 1 . . . . . . . . 5655 1 161 . 1 1 11 11 C C5' C 13 66.022 0.153 . 1 . . . . . . . . 5655 1 162 . 1 1 11 11 C C5 C 13 97.94 0.150 . 1 . . . . . . . . 5655 1 163 . 1 1 11 11 C C4' C 13 83.573 0.150 . 1 . . . . . . . . 5655 1 164 . 1 1 11 11 C C3' C 13 75.097 0.150 . 1 . . . . . . . . 5655 1 165 . 1 1 11 11 C C2' C 13 76.068 0.150 . 1 . . . . . . . . 5655 1 166 . 1 1 11 11 C C1' C 13 92.577 0.028 . 1 . . . . . . . . 5655 1 167 . 1 1 11 11 C H6 H 1 7.487 0.003 . 1 . . . . . . . . 5655 1 168 . 1 1 11 11 C H5' H 1 4.0 0.015 . 1 . . . . . . . . 5655 1 169 . 1 1 11 11 C H5'' H 1 4.094 0.007 . 1 . . . . . . . . 5655 1 170 . 1 1 11 11 C H5 H 1 5.525 0.004 . 1 . . . . . . . . 5655 1 171 . 1 1 11 11 C H4' H 1 3.958 0.009 . 1 . . . . . . . . 5655 1 172 . 1 1 11 11 C H3' H 1 4.225 0.002 . 1 . . . . . . . . 5655 1 173 . 1 1 11 11 C H2' H 1 3.915 0.002 . 1 . . . . . . . . 5655 1 174 . 1 1 11 11 C H1' H 1 5.296 0.004 . 1 . . . . . . . . 5655 1 175 . 1 1 12 12 A C8 C 13 141.968 0.150 . 1 . . . . . . . . 5655 1 176 . 1 1 12 12 A C2 C 13 156.211 0.150 . 1 . . . . . . . . 5655 1 177 . 1 1 12 12 A C4' C 13 85.921 0.150 . 1 . . . . . . . . 5655 1 178 . 1 1 12 12 A H8 H 1 8.211 0.003 . 1 . . . . . . . . 5655 1 179 . 1 1 12 12 A H5' H 1 3.95 0.014 . 1 . . . . . . . . 5655 1 180 . 1 1 12 12 A H4' H 1 4.384 0.005 . 1 . . . . . . . . 5655 1 181 . 1 1 12 12 A H3' H 1 4.432 0.003 . 1 . . . . . . . . 5655 1 182 . 1 1 12 12 A H2' H 1 4.583 0.018 . 1 . . . . . . . . 5655 1 183 . 1 1 12 12 A H2 H 1 8.026 0.004 . 1 . . . . . . . . 5655 1 184 . 1 1 12 12 A H1' H 1 5.943 0.006 . 1 . . . . . . . . 5655 1 185 . 1 1 13 13 U C6 C 13 143.739 0.150 . 1 . . . . . . . . 5655 1 186 . 1 1 13 13 U C5' C 13 67.855 0.083 . 1 . . . . . . . . 5655 1 187 . 1 1 13 13 U C5 C 13 105.541 0.150 . 1 . . . . . . . . 5655 1 188 . 1 1 13 13 U C4' C 13 85.181 0.092 . 1 . . . . . . . . 5655 1 189 . 1 1 13 13 U C3' C 13 75.971 0.150 . 1 . . . . . . . . 5655 1 190 . 1 1 13 13 U C2' C 13 77.008 0.150 . 1 . . . . . . . . 5655 1 191 . 1 1 13 13 U C1' C 13 91.096 0.150 . 1 . . . . . . . . 5655 1 192 . 1 1 13 13 U H6 H 1 7.778 0.003 . 1 . . . . . . . . 5655 1 193 . 1 1 13 13 U H5' H 1 4.171 0.006 . 1 . . . . . . . . 5655 1 194 . 1 1 13 13 U H5'' H 1 4.165 0.005 . 1 . . . . . . . . 5655 1 195 . 1 1 13 13 U H5 H 1 5.833 0.005 . 1 . . . . . . . . 5655 1 196 . 1 1 13 13 U H4' H 1 4.429 0.004 . 1 . . . . . . . . 5655 1 197 . 1 1 13 13 U H3' H 1 4.391 0.013 . 1 . . . . . . . . 5655 1 198 . 1 1 13 13 U H2' H 1 4.683 0.005 . 1 . . . . . . . . 5655 1 199 . 1 1 13 13 U H1' H 1 5.899 0.002 . 1 . . . . . . . . 5655 1 200 . 1 1 14 14 A C8 C 13 141.223 0.150 . 1 . . . . . . . . 5655 1 201 . 1 1 14 14 A C2 C 13 155.393 0.150 . 1 . . . . . . . . 5655 1 202 . 1 1 14 14 A C2' C 13 76.344 0.102 . 1 . . . . . . . . 5655 1 203 . 1 1 14 14 A C1' C 13 92.957 0.150 . 1 . . . . . . . . 5655 1 204 . 1 1 14 14 A H8 H 1 8.025 0.006 . 1 . . . . . . . . 5655 1 205 . 1 1 14 14 A H5' H 1 4.241 0.004 . 1 . . . . . . . . 5655 1 206 . 1 1 14 14 A H3' H 1 4.615 0.003 . 1 . . . . . . . . 5655 1 207 . 1 1 14 14 A H2' H 1 4.86 0.001 . 1 . . . . . . . . 5655 1 208 . 1 1 14 14 A H2 H 1 8.108 0.003 . 1 . . . . . . . . 5655 1 209 . 1 1 14 14 A H1' H 1 5.94 0.002 . 1 . . . . . . . . 5655 1 210 . 1 1 15 15 A C8 C 13 140.369 0.150 . 1 . . . . . . . . 5655 1 211 . 1 1 15 15 A C2 C 13 153.802 0.150 . 1 . . . . . . . . 5655 1 212 . 1 1 15 15 A C1' C 13 92.675 0.150 . 1 . . . . . . . . 5655 1 213 . 1 1 15 15 A H8 H 1 8.064 0.003 . 1 . . . . . . . . 5655 1 214 . 1 1 15 15 A H5' H 1 4.296 0.006 . 1 . . . . . . . . 5655 1 215 . 1 1 15 15 A H4' H 1 4.375 0.002 . 1 . . . . . . . . 5655 1 216 . 1 1 15 15 A H3' H 1 4.72 0.001 . 1 . . . . . . . . 5655 1 217 . 1 1 15 15 A H2' H 1 4.49 0.002 . 1 . . . . . . . . 5655 1 218 . 1 1 15 15 A H2 H 1 7.688 0.005 . 1 . . . . . . . . 5655 1 219 . 1 1 15 15 A H1' H 1 5.396 0.003 . 1 . . . . . . . . 5655 1 220 . 1 1 16 16 G N1 N 15 147.481 0.150 . 1 . . . . . . . . 5655 1 221 . 1 1 16 16 G C8 C 13 136.37 0.150 . 1 . . . . . . . . 5655 1 222 . 1 1 16 16 G C5' C 13 67.513 0.123 . 1 . . . . . . . . 5655 1 223 . 1 1 16 16 G C4' C 13 82.273 0.150 . 1 . . . . . . . . 5655 1 224 . 1 1 16 16 G C3' C 13 72.659 0.150 . 1 . . . . . . . . 5655 1 225 . 1 1 16 16 G C2' C 13 74.108 0.154 . 1 . . . . . . . . 5655 1 226 . 1 1 16 16 G C1' C 13 94.42 0.250 . 1 . . . . . . . . 5655 1 227 . 1 1 16 16 G H8 H 1 7.072 0.004 . 1 . . . . . . . . 5655 1 228 . 1 1 16 16 G H5' H 1 4.047 0.008 . 1 . . . . . . . . 5655 1 229 . 1 1 16 16 G H5'' H 1 4.348 0.005 . 1 . . . . . . . . 5655 1 230 . 1 1 16 16 G H4' H 1 4.387 0.002 . 1 . . . . . . . . 5655 1 231 . 1 1 16 16 G H3' H 1 4.458 0.014 . 1 . . . . . . . . 5655 1 232 . 1 1 16 16 G H2' H 1 4.345 0.006 . 1 . . . . . . . . 5655 1 233 . 1 1 16 16 G H1' H 1 5.493 0.010 . 1 . . . . . . . . 5655 1 234 . 1 1 16 16 G H1 H 1 12.467 0.007 . 1 . . . . . . . . 5655 1 235 . 1 1 17 17 G N1 N 15 147.997 0.150 . 1 . . . . . . . . 5655 1 236 . 1 1 17 17 G C8 C 13 137.01 0.150 . 1 . . . . . . . . 5655 1 237 . 1 1 17 17 G C5' C 13 66.238 0.150 . 1 . . . . . . . . 5655 1 238 . 1 1 17 17 G C4' C 13 84.066 0.150 . 1 . . . . . . . . 5655 1 239 . 1 1 17 17 G C3' C 13 75.602 0.150 . 1 . . . . . . . . 5655 1 240 . 1 1 17 17 G C2' C 13 77.565 0.150 . 1 . . . . . . . . 5655 1 241 . 1 1 17 17 G C1' C 13 91.338 0.150 . 1 . . . . . . . . 5655 1 242 . 1 1 17 17 G H8 H 1 7.365 0.003 . 1 . . . . . . . . 5655 1 243 . 1 1 17 17 G H5' H 1 4.124 0.005 . 1 . . . . . . . . 5655 1 244 . 1 1 17 17 G H5'' H 1 4.492 0.005 . 1 . . . . . . . . 5655 1 245 . 1 1 17 17 G H4' H 1 4.487 0.003 . 1 . . . . . . . . 5655 1 246 . 1 1 17 17 G H3' H 1 4.693 0.005 . 1 . . . . . . . . 5655 1 247 . 1 1 17 17 G H2' H 1 4.283 0.003 . 1 . . . . . . . . 5655 1 248 . 1 1 17 17 G H1' H 1 5.812 0.004 . 1 . . . . . . . . 5655 1 249 . 1 1 17 17 G H1 H 1 12.716 0.015 . 1 . . . . . . . . 5655 1 250 . 1 1 18 18 A H62 H 1 7.179 0.015 . 1 . . . . . . . . 5655 1 251 . 1 1 18 18 A H61 H 1 7.714 0.015 . 1 . . . . . . . . 5655 1 252 . 1 1 18 18 A C8 C 13 141.526 0.150 . 1 . . . . . . . . 5655 1 253 . 1 1 18 18 A C2 C 13 155.193 0.150 . 1 . . . . . . . . 5655 1 254 . 1 1 18 18 A C5' C 13 67.227 0.003 . 1 . . . . . . . . 5655 1 255 . 1 1 18 18 A C4' C 13 84.24 0.150 . 1 . . . . . . . . 5655 1 256 . 1 1 18 18 A C3' C 13 75.613 0.150 . 1 . . . . . . . . 5655 1 257 . 1 1 18 18 A C2' C 13 76.43 0.150 . 1 . . . . . . . . 5655 1 258 . 1 1 18 18 A C1' C 13 91.326 0.067 . 1 . . . . . . . . 5655 1 259 . 1 1 18 18 A H8 H 1 8.179 0.008 . 1 . . . . . . . . 5655 1 260 . 1 1 18 18 A H5' H 1 4.188 0.005 . 1 . . . . . . . . 5655 1 261 . 1 1 18 18 A H5'' H 1 4.342 0.006 . 1 . . . . . . . . 5655 1 262 . 1 1 18 18 A H4' H 1 4.517 0.006 . 1 . . . . . . . . 5655 1 263 . 1 1 18 18 A H3' H 1 4.75 0.001 . 1 . . . . . . . . 5655 1 264 . 1 1 18 18 A H2' H 1 4.656 0.001 . 1 . . . . . . . . 5655 1 265 . 1 1 18 18 A H2 H 1 8.018 0.002 . 1 . . . . . . . . 5655 1 266 . 1 1 18 18 A H1' H 1 6.076 0.001 . 1 . . . . . . . . 5655 1 267 . 1 1 19 19 G C8 C 13 136.815 0.150 . 1 . . . . . . . . 5655 1 268 . 1 1 19 19 G C5' C 13 67.599 0.150 . 1 . . . . . . . . 5655 1 269 . 1 1 19 19 G C4' C 13 83.07 0.150 . 1 . . . . . . . . 5655 1 270 . 1 1 19 19 G C3' C 13 74.736 0.150 . 1 . . . . . . . . 5655 1 271 . 1 1 19 19 G C2' C 13 75.574 0.150 . 1 . . . . . . . . 5655 1 272 . 1 1 19 19 G C1' C 13 92.688 0.150 . 1 . . . . . . . . 5655 1 273 . 1 1 19 19 G H8 H 1 7.41 0.005 . 1 . . . . . . . . 5655 1 274 . 1 1 19 19 G H5' H 1 4.13 0.006 . 1 . . . . . . . . 5655 1 275 . 1 1 19 19 G H5'' H 1 4.337 0.011 . 1 . . . . . . . . 5655 1 276 . 1 1 19 19 G H4' H 1 4.508 0.014 . 1 . . . . . . . . 5655 1 277 . 1 1 19 19 G H3' H 1 4.414 0.009 . 1 . . . . . . . . 5655 1 278 . 1 1 19 19 G H2' H 1 4.721 0.004 . 1 . . . . . . . . 5655 1 279 . 1 1 19 19 G H1' H 1 5.588 0.005 . 1 . . . . . . . . 5655 1 280 . 1 1 19 19 G H1 H 1 12.709 0.006 . 1 . . . . . . . . 5655 1 281 . 1 1 20 20 G H21 H 1 7.916 0.015 . 1 . . . . . . . . 5655 1 282 . 1 1 20 20 G N1 N 15 146.862 0.200 . 1 . . . . . . . . 5655 1 283 . 1 1 20 20 G C8 C 13 136.684 0.150 . 1 . . . . . . . . 5655 1 284 . 1 1 20 20 G C5' C 13 66.245 0.121 . 1 . . . . . . . . 5655 1 285 . 1 1 20 20 G C4' C 13 82.469 0.150 . 1 . . . . . . . . 5655 1 286 . 1 1 20 20 G C3' C 13 73.535 0.150 . 1 . . . . . . . . 5655 1 287 . 1 1 20 20 G C2' C 13 75.881 0.150 . 1 . . . . . . . . 5655 1 288 . 1 1 20 20 G C1' C 13 93.119 0.150 . 1 . . . . . . . . 5655 1 289 . 1 1 20 20 G H8 H 1 7.274 0.004 . 1 . . . . . . . . 5655 1 290 . 1 1 20 20 G H5'' H 1 4.305 0.029 . 1 . . . . . . . . 5655 1 291 . 1 1 20 20 G H5' H 1 4.113 0.005 . 1 . . . . . . . . 5655 1 292 . 1 1 20 20 G H4' H 1 4.497 0.003 . 1 . . . . . . . . 5655 1 293 . 1 1 20 20 G H3' H 1 4.537 0.006 . 1 . . . . . . . . 5655 1 294 . 1 1 20 20 G H2' H 1 4.631 0.005 . 1 . . . . . . . . 5655 1 295 . 1 1 20 20 G H1' H 1 5.765 0.004 . 1 . . . . . . . . 5655 1 296 . 1 1 20 20 G H1 H 1 12.301 0.011 . 1 . . . . . . . . 5655 1 297 . 1 1 21 21 A H62 H 1 6.716 0.013 . 1 . . . . . . . . 5655 1 298 . 1 1 21 21 A H61 H 1 7.973 0.014 . 1 . . . . . . . . 5655 1 299 . 1 1 21 21 A N3 N 15 213.444 0.500 . 1 . . . . . . . . 5655 1 300 . 1 1 21 21 A N1 N 15 221.509 0.500 . 1 . . . . . . . . 5655 1 301 . 1 1 21 21 A C8 C 13 139.383 0.150 . 1 . . . . . . . . 5655 1 302 . 1 1 21 21 A C2 C 13 153.037 0.150 . 1 . . . . . . . . 5655 1 303 . 1 1 21 21 A C1' C 13 93.213 0.150 . 1 . . . . . . . . 5655 1 304 . 1 1 21 21 A H8 H 1 7.723 0.003 . 1 . . . . . . . . 5655 1 305 . 1 1 21 21 A H4' H 1 4.654 0.006 . 1 . . . . . . . . 5655 1 306 . 1 1 21 21 A H3' H 1 4.546 0.004 . 1 . . . . . . . . 5655 1 307 . 1 1 21 21 A H2' H 1 4.599 0.002 . 1 . . . . . . . . 5655 1 308 . 1 1 21 21 A H2 H 1 7.16 0.003 . 1 . . . . . . . . 5655 1 309 . 1 1 21 21 A H1' H 1 5.923 0.004 . 1 . . . . . . . . 5655 1 310 . 1 1 22 22 A H62 H 1 6.746 0.016 . 1 . . . . . . . . 5655 1 311 . 1 1 22 22 A H61 H 1 8.31 0.015 . 1 . . . . . . . . 5655 1 312 . 1 1 22 22 A N3 N 15 212.836 0.500 . 1 . . . . . . . . 5655 1 313 . 1 1 22 22 A N1 N 15 222.695 0.500 . 1 . . . . . . . . 5655 1 314 . 1 1 22 22 A C8 C 13 138.962 0.150 . 1 . . . . . . . . 5655 1 315 . 1 1 22 22 A C2 C 13 153.94 0.150 . 1 . . . . . . . . 5655 1 316 . 1 1 22 22 A C1' C 13 90.163 0.150 . 1 . . . . . . . . 5655 1 317 . 1 1 22 22 A H8 H 1 7.817 0.004 . 1 . . . . . . . . 5655 1 318 . 1 1 22 22 A H3' H 1 4.58 0.005 . 1 . . . . . . . . 5655 1 319 . 1 1 22 22 A H2' H 1 4.503 0.002 . 1 . . . . . . . . 5655 1 320 . 1 1 22 22 A H2 H 1 7.81 0.003 . 1 . . . . . . . . 5655 1 321 . 1 1 22 22 A H1' H 1 5.928 0.001 . 1 . . . . . . . . 5655 1 322 . 1 1 23 23 C H42 H 1 7.057 0.015 . 1 . . . . . . . . 5655 1 323 . 1 1 23 23 C H41 H 1 8.43 0.015 . 1 . . . . . . . . 5655 1 324 . 1 1 23 23 C N3 N 15 198.266 0.150 . 1 . . . . . . . . 5655 1 325 . 1 1 23 23 C C6 C 13 140.574 0.150 . 1 . . . . . . . . 5655 1 326 . 1 1 23 23 C C5' C 13 64.91 0.150 . 1 . . . . . . . . 5655 1 327 . 1 1 23 23 C C5 C 13 97.148 0.150 . 1 . . . . . . . . 5655 1 328 . 1 1 23 23 C C4' C 13 82.158 0.150 . 1 . . . . . . . . 5655 1 329 . 1 1 23 23 C C3' C 13 72.63 0.150 . 1 . . . . . . . . 5655 1 330 . 1 1 23 23 C C2' C 13 76.135 0.150 . 1 . . . . . . . . 5655 1 331 . 1 1 23 23 C C1' C 13 94.167 0.150 . 1 . . . . . . . . 5655 1 332 . 1 1 23 23 C H6 H 1 7.441 0.004 . 1 . . . . . . . . 5655 1 333 . 1 1 23 23 C H5' H 1 4.016 0.004 . 1 . . . . . . . . 5655 1 334 . 1 1 23 23 C H5'' H 1 4.495 0.002 . 1 . . . . . . . . 5655 1 335 . 1 1 23 23 C H5 H 1 5.182 0.002 . 1 . . . . . . . . 5655 1 336 . 1 1 23 23 C H4' H 1 4.361 0.002 . 1 . . . . . . . . 5655 1 337 . 1 1 23 23 C H3' H 1 4.347 0.006 . 1 . . . . . . . . 5655 1 338 . 1 1 23 23 C H2' H 1 4.121 0.004 . 1 . . . . . . . . 5655 1 339 . 1 1 23 23 C H1' H 1 5.387 0.006 . 1 . . . . . . . . 5655 1 340 . 1 1 24 24 C H42 H 1 6.966 0.015 . 1 . . . . . . . . 5655 1 341 . 1 1 24 24 C H41 H 1 8.433 0.015 . 1 . . . . . . . . 5655 1 342 . 1 1 24 24 C C6 C 13 141.754 0.150 . 1 . . . . . . . . 5655 1 343 . 1 1 24 24 C C5' C 13 65.526 0.150 . 1 . . . . . . . . 5655 1 344 . 1 1 24 24 C C5 C 13 98.343 0.150 . 1 . . . . . . . . 5655 1 345 . 1 1 24 24 C C4' C 13 83.807 0.150 . 1 . . . . . . . . 5655 1 346 . 1 1 24 24 C C3' C 13 70.239 0.150 . 1 . . . . . . . . 5655 1 347 . 1 1 24 24 C C2' C 13 77.874 0.150 . 1 . . . . . . . . 5655 1 348 . 1 1 24 24 C C1' C 13 93.129 0.150 . 1 . . . . . . . . 5655 1 349 . 1 1 24 24 C H6 H 1 7.64 0.003 . 1 . . . . . . . . 5655 1 350 . 1 1 24 24 C H5' H 1 4.026 0.004 . 1 . . . . . . . . 5655 1 351 . 1 1 24 24 C H5'' H 1 4.459 0.005 . 1 . . . . . . . . 5655 1 352 . 1 1 24 24 C H5 H 1 5.451 0.004 . 1 . . . . . . . . 5655 1 353 . 1 1 24 24 C H4' H 1 4.16 0.005 . 1 . . . . . . . . 5655 1 354 . 1 1 24 24 C H3' H 1 4.173 0.005 . 1 . . . . . . . . 5655 1 355 . 1 1 24 24 C H2' H 1 4.001 0.001 . 1 . . . . . . . . 5655 1 356 . 1 1 24 24 C H1' H 1 5.775 0.003 . 1 . . . . . . . . 5655 1 stop_ save_