data_19081 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19081 _Entry.Title ; NMR structure of the P4 hairpin of the CPEB3 ribozyme ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-03-08 _Entry.Accession_date 2013-03-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Miriam Skilandat . . . 19081 2 Magdalena Rowinska-Zyrek . . . 19081 3 Roland Sigel . K.O. . 19081 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19081 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CPEB3 . 19081 hairpin . 19081 ribozyme . 19081 RNA . 19081 'UGGU tetraloop' . 19081 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19081 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 179 19081 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 . . 2014-05-05 2013-03-08 update BMRB 'update entry citation' 19081 1 . . 2014-03-31 2013-03-08 original author 'original release' 19081 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19081 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24652468 _Citation.Full_citation . _Citation.Title 'Solution structure and metal ion binding sites of the human CPEB3 ribozyme's P4 domain.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Inorg. Chem.' _Citation.Journal_name_full 'Journal of biological inorganic chemistry' _Citation.Journal_volume . _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 . _Citation.Page_last . _Citation.Year 2014 _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 Miriam Skilandat . . . 19081 1 2 Magdalena Rowinska-Zyrek . . . 19081 1 3 Roland Sigel . K.O. . 19081 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19081 _Assembly.ID 1 _Assembly.Name P4_CPEB3 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 P4_CPEB3 1 $P4_CPEB3 A . yes native no no . . . 19081 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_P4_CPEB3 _Entity.Sf_category entity _Entity.Sf_framecode P4_CPEB3 _Entity.Entry_ID 19081 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name P4_CPEB3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGCAGAUUCUGGUGAAUCUG CC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'sequence corresponds to residue 39 to 56 of the CPEB3 ribozyme' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 22 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment P4 _Entity.Mutation 'two G-C base pairs added to the stem termini' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7051.259 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 G . 19081 1 2 2 G . 19081 1 3 3 C . 19081 1 4 4 A . 19081 1 5 5 G . 19081 1 6 6 A . 19081 1 7 7 U . 19081 1 8 8 U . 19081 1 9 9 C . 19081 1 10 10 U . 19081 1 11 11 G . 19081 1 12 12 G . 19081 1 13 13 U . 19081 1 14 14 G . 19081 1 15 15 A . 19081 1 16 16 A . 19081 1 17 17 U . 19081 1 18 18 C . 19081 1 19 19 U . 19081 1 20 20 G . 19081 1 21 21 C . 19081 1 22 22 C . 19081 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 19081 1 . G 2 2 19081 1 . C 3 3 19081 1 . A 4 4 19081 1 . G 5 5 19081 1 . A 6 6 19081 1 . U 7 7 19081 1 . U 8 8 19081 1 . C 9 9 19081 1 . U 10 10 19081 1 . G 11 11 19081 1 . G 12 12 19081 1 . U 13 13 19081 1 . G 14 14 19081 1 . A 15 15 19081 1 . A 16 16 19081 1 . U 17 17 19081 1 . C 18 18 19081 1 . U 19 19 19081 1 . G 20 20 19081 1 . C 21 21 19081 1 . C 22 22 19081 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 19081 _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 $P4_CPEB3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . cpeb3 . . . . 19081 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 19081 _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 $P4_CPEB3 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . 'The sequence was produced by in-vitro transcription from a synthetic dsDNA template using T7 RNA-Polymerase.' . . 19081 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19081 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 D2O 'natural abundance' . . . . . . 100 . . % . . . . 19081 1 2 P4_CPEB3 'natural abundance' . . 1 $P4_CPEB3 . . . 0.7 0.8 mM . . . . 19081 1 3 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 19081 1 4 EDTA 'natural abundance' . . . . . . 10 . . uM . . . . 19081 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19081 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19081 2 2 P4_CPEB3 'natural abundance' . . 1 $P4_CPEB3 . . . 0.7 0.8 mM . . . . 19081 2 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19081 2 4 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 19081 2 5 EDTA 'natural abundance' . . . . . . 10 . . uM . . . . 19081 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19081 _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' 50 . mM 19081 1 pH 6.8 . pH 19081 1 pressure 1 . atm 19081 1 temperature 298 . K 19081 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 19081 _Sample_condition_list.ID 2 _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' 50 . mM 19081 2 pH 6.8 . pH 19081 2 pressure 1 . atm 19081 2 temperature 278 . K 19081 2 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19081 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.0 _Software.Details . 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 19081 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'CRYO TXI inverse triple-resonance with actively shielded z-gradient coil' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19081 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'CRYO TCI inverse triple-resonance with actively shielded z-gradient coil' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19081 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'CRYO 5 mm QNP with actively shielded z-gradient coil' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19081 _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 Avance . 700 'CRYO TXI inverse triple-resonance with actively shielded z-gradient coil' . . 19081 1 2 spectrometer_2 Bruker Avance . 600 'CRYO TCI inverse triple-resonance with actively shielded z-gradient coil' . . 19081 1 3 spectrometer_3 Bruker Avance . 500 'CRYO 5 mm QNP with actively shielded z-gradient coil' . . 19081 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 19081 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19081 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19081 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19081 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19081 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19081 1 6 '1D 31P' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19081 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19081 _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 external direct 1.0 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 19081 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19081 _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_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 19081 1 4 '2D 1H-1H NOESY' . . . 19081 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 H1 H 1 12.863 0.005 . 1 . . . A 1 G H1 . 19081 1 2 . 1 1 1 1 G H1' H 1 5.809 0.005 . 1 . . . A 1 G H1' . 19081 1 3 . 1 1 1 1 G H2' H 1 4.939 0.005 . 1 . . . A 1 G H2' . 19081 1 4 . 1 1 1 1 G H3' H 1 4.728 0.005 . 1 . . . A 1 G H3' . 19081 1 5 . 1 1 1 1 G H4' H 1 4.530 0.005 . 1 . . . A 1 G H4' . 19081 1 6 . 1 1 1 1 G H5' H 1 4.297 0.005 . 1 . . . A 1 G H5' . 19081 1 7 . 1 1 1 1 G H5'' H 1 4.159 0.005 . 1 . . . A 1 G H5'' . 19081 1 8 . 1 1 1 1 G H8 H 1 8.114 0.005 . 1 . . . A 1 G H8 . 19081 1 9 . 1 1 2 2 G H1 H 1 13.348 0.005 . 1 . . . A 2 G H1 . 19081 1 10 . 1 1 2 2 G H1' H 1 5.905 0.005 . 1 . . . A 2 G H1' . 19081 1 11 . 1 1 2 2 G H2' H 1 4.568 0.005 . 1 . . . A 2 G H2' . 19081 1 12 . 1 1 2 2 G H3' H 1 4.534 0.005 . 1 . . . A 2 G H3' . 19081 1 13 . 1 1 2 2 G H4' H 1 4.592 0.005 . 1 . . . A 2 G H4' . 19081 1 14 . 1 1 2 2 G H5' H 1 4.241 0.005 . 1 . . . A 2 G H5' . 19081 1 15 . 1 1 2 2 G H8 H 1 7.584 0.005 . 1 . . . A 2 G H8 . 19081 1 16 . 1 1 2 2 G H22 H 1 5.735 0.005 . 1 . . . A 2 G H22 . 19081 1 17 . 1 1 3 3 C H1' H 1 5.520 0.005 . 1 . . . A 3 C H1' . 19081 1 18 . 1 1 3 3 C H2' H 1 4.562 0.005 . 1 . . . A 3 C H2' . 19081 1 19 . 1 1 3 3 C H3' H 1 4.548 0.005 . 1 . . . A 3 C H3' . 19081 1 20 . 1 1 3 3 C H4' H 1 4.444 0.005 . 1 . . . A 3 C H4' . 19081 1 21 . 1 1 3 3 C H5 H 1 5.274 0.005 . 1 . . . A 3 C H5 . 19081 1 22 . 1 1 3 3 C H5'' H 1 4.130 0.005 . 1 . . . A 3 C H5'' . 19081 1 23 . 1 1 3 3 C H6 H 1 7.658 0.005 . 1 . . . A 3 C H6 . 19081 1 24 . 1 1 3 3 C H41 H 1 8.504 0.005 . 1 . . . A 3 C H41 . 19081 1 25 . 1 1 3 3 C H42 H 1 6.982 0.005 . 1 . . . A 3 C H42 . 19081 1 26 . 1 1 4 4 A H1' H 1 5.958 0.005 . 1 . . . A 4 A H1' . 19081 1 27 . 1 1 4 4 A H2 H 1 6.969 0.005 . 1 . . . A 4 A H2 . 19081 1 28 . 1 1 4 4 A H2' H 1 4.721 0.005 . 1 . . . A 4 A H2' . 19081 1 29 . 1 1 4 4 A H3' H 1 4.681 0.005 . 1 . . . A 4 A H3' . 19081 1 30 . 1 1 4 4 A H4' H 1 4.514 0.005 . 1 . . . A 4 A H4' . 19081 1 31 . 1 1 4 4 A H5'' H 1 4.164 0.005 . 1 . . . A 4 A H5'' . 19081 1 32 . 1 1 4 4 A H8 H 1 7.966 0.005 . 1 . . . A 4 A H8 . 19081 1 33 . 1 1 4 4 A H61 H 1 7.803 0.005 . 1 . . . A 4 A H61 . 19081 1 34 . 1 1 4 4 A H62 H 1 6.346 0.005 . 1 . . . A 4 A H62 . 19081 1 35 . 1 1 5 5 G H1 H 1 12.599 0.005 . 1 . . . A 5 G H1 . 19081 1 36 . 1 1 5 5 G H1' H 1 5.539 0.005 . 1 . . . A 5 G H1' . 19081 1 37 . 1 1 5 5 G H2' H 1 4.560 0.005 . 1 . . . A 5 G H2' . 19081 1 38 . 1 1 5 5 G H3' H 1 4.451 0.005 . 1 . . . A 5 G H3' . 19081 1 39 . 1 1 5 5 G H4' H 1 4.478 0.005 . 1 . . . A 5 G H4' . 19081 1 40 . 1 1 5 5 G H5'' H 1 4.079 0.005 . 1 . . . A 5 G H5'' . 19081 1 41 . 1 1 5 5 G H8 H 1 7.124 0.005 . 1 . . . A 5 G H8 . 19081 1 42 . 1 1 5 5 G H21 H 1 8.037 0.005 . 1 . . . A 5 G H21 . 19081 1 43 . 1 1 5 5 G H22 H 1 6.073 0.005 . 1 . . . A 5 G H22 . 19081 1 44 . 1 1 6 6 A H1' H 1 5.942 0.005 . 1 . . . A 6 A H1' . 19081 1 45 . 1 1 6 6 A H2 H 1 7.767 0.005 . 1 . . . A 6 A H2 . 19081 1 46 . 1 1 6 6 A H2' H 1 4.529 0.005 . 1 . . . A 6 A H2' . 19081 1 47 . 1 1 6 6 A H3' H 1 4.574 0.005 . 1 . . . A 6 A H3' . 19081 1 48 . 1 1 6 6 A H5'' H 1 4.110 0.005 . 1 . . . A 6 A H5'' . 19081 1 49 . 1 1 6 6 A H8 H 1 7.730 0.005 . 1 . . . A 6 A H8 . 19081 1 50 . 1 1 6 6 A H61 H 1 8.003 0.005 . 1 . . . A 6 A H61 . 19081 1 51 . 1 1 6 6 A H62 H 1 6.789 0.005 . 1 . . . A 6 A H62 . 19081 1 52 . 1 1 7 7 U H1' H 1 5.505 0.005 . 1 . . . A 7 U H1' . 19081 1 53 . 1 1 7 7 U H2' H 1 4.319 0.005 . 1 . . . A 7 U H2' . 19081 1 54 . 1 1 7 7 U H3 H 1 14.178 0.005 . 1 . . . A 7 U H3 . 19081 1 55 . 1 1 7 7 U H3' H 1 4.433 0.005 . 1 . . . A 7 U H3' . 19081 1 56 . 1 1 7 7 U H5 H 1 5.002 0.005 . 1 . . . A 7 U H5 . 19081 1 57 . 1 1 7 7 U H5'' H 1 4.068 0.005 . 1 . . . A 7 U H5'' . 19081 1 58 . 1 1 7 7 U H6 H 1 7.614 0.005 . 1 . . . A 7 U H6 . 19081 1 59 . 1 1 8 8 U H1' H 1 5.682 0.005 . 1 . . . A 8 U H1' . 19081 1 60 . 1 1 8 8 U H2' H 1 4.346 0.005 . 1 . . . A 8 U H2' . 19081 1 61 . 1 1 8 8 U H3 H 1 13.790 0.005 . 1 . . . A 8 U H3 . 19081 1 62 . 1 1 8 8 U H3' H 1 4.514 0.005 . 1 . . . A 8 U H3' . 19081 1 63 . 1 1 8 8 U H4' H 1 4.291 0.005 . 1 . . . A 8 U H4' . 19081 1 64 . 1 1 8 8 U H5 H 1 5.510 0.005 . 1 . . . A 8 U H5 . 19081 1 65 . 1 1 8 8 U H5'' H 1 4.098 0.005 . 1 . . . A 8 U H5'' . 19081 1 66 . 1 1 8 8 U H6 H 1 7.961 0.005 . 1 . . . A 8 U H6 . 19081 1 67 . 1 1 9 9 C H1' H 1 5.662 0.005 . 1 . . . A 9 C H1' . 19081 1 68 . 1 1 9 9 C H2' H 1 4.484 0.005 . 1 . . . A 9 C H2' . 19081 1 69 . 1 1 9 9 C H3' H 1 4.368 0.005 . 1 . . . A 9 C H3' . 19081 1 70 . 1 1 9 9 C H4' H 1 4.209 0.005 . 1 . . . A 9 C H4' . 19081 1 71 . 1 1 9 9 C H5 H 1 5.534 0.005 . 1 . . . A 9 C H5 . 19081 1 72 . 1 1 9 9 C H5' H 1 4.071 0.005 . 1 . . . A 9 C H5' . 19081 1 73 . 1 1 9 9 C H5'' H 1 4.017 0.005 . 1 . . . A 9 C H5'' . 19081 1 74 . 1 1 9 9 C H6 H 1 7.737 0.005 . 1 . . . A 9 C H6 . 19081 1 75 . 1 1 9 9 C H41 H 1 8.272 0.005 . 1 . . . A 9 C H41 . 19081 1 76 . 1 1 9 9 C H42 H 1 7.014 0.005 . 1 . . . A 9 C H42 . 19081 1 77 . 1 1 10 10 U H1' H 1 5.273 0.005 . 1 . . . A 10 U H1' . 19081 1 78 . 1 1 10 10 U H2' H 1 4.337 0.005 . 1 . . . A 10 U H2' . 19081 1 79 . 1 1 10 10 U H3' H 1 4.306 0.005 . 1 . . . A 10 U H3' . 19081 1 80 . 1 1 10 10 U H4' H 1 4.134 0.005 . 1 . . . A 10 U H4' . 19081 1 81 . 1 1 10 10 U H5 H 1 5.566 0.005 . 1 . . . A 10 U H5 . 19081 1 82 . 1 1 10 10 U H5'' H 1 3.967 0.005 . 1 . . . A 10 U H5'' . 19081 1 83 . 1 1 10 10 U H6 H 1 7.567 0.005 . 1 . . . A 10 U H6 . 19081 1 84 . 1 1 11 11 G H1' H 1 5.412 0.005 . 1 . . . A 11 G H1' . 19081 1 85 . 1 1 11 11 G H2' H 1 4.584 0.005 . 1 . . . A 11 G H2' . 19081 1 86 . 1 1 11 11 G H3' H 1 4.461 0.005 . 1 . . . A 11 G H3' . 19081 1 87 . 1 1 11 11 G H4' H 1 3.774 0.005 . 1 . . . A 11 G H4' . 19081 1 88 . 1 1 11 11 G H5' H 1 3.965 0.005 . 1 . . . A 11 G H5' . 19081 1 89 . 1 1 11 11 G H5'' H 1 3.866 0.005 . 1 . . . A 11 G H5'' . 19081 1 90 . 1 1 11 11 G H8 H 1 7.669 0.005 . 1 . . . A 11 G H8 . 19081 1 91 . 1 1 12 12 G H1' H 1 5.819 0.005 . 1 . . . A 12 G H1' . 19081 1 92 . 1 1 12 12 G H2' H 1 5.038 0.005 . 1 . . . A 12 G H2' . 19081 1 93 . 1 1 12 12 G H3' H 1 5.119 0.005 . 1 . . . A 12 G H3' . 19081 1 94 . 1 1 12 12 G H4' H 1 4.364 0.005 . 1 . . . A 12 G H4' . 19081 1 95 . 1 1 12 12 G H5' H 1 4.097 0.005 . 1 . . . A 12 G H5' . 19081 1 96 . 1 1 12 12 G H5'' H 1 4.024 0.005 . 1 . . . A 12 G H5'' . 19081 1 97 . 1 1 12 12 G H8 H 1 7.856 0.005 . 1 . . . A 12 G H8 . 19081 1 98 . 1 1 13 13 U H1' H 1 6.065 0.005 . 1 . . . A 13 U H1' . 19081 1 99 . 1 1 13 13 U H2' H 1 4.579 0.005 . 1 . . . A 13 U H2' . 19081 1 100 . 1 1 13 13 U H3' H 1 4.688 0.005 . 1 . . . A 13 U H3' . 19081 1 101 . 1 1 13 13 U H4' H 1 4.569 0.005 . 1 . . . A 13 U H4' . 19081 1 102 . 1 1 13 13 U H5 H 1 5.935 0.005 . 1 . . . A 13 U H5 . 19081 1 103 . 1 1 13 13 U H5' H 1 4.311 0.005 . 1 . . . A 13 U H5' . 19081 1 104 . 1 1 13 13 U H5'' H 1 4.150 0.005 . 1 . . . A 13 U H5'' . 19081 1 105 . 1 1 13 13 U H6 H 1 7.911 0.005 . 1 . . . A 13 U H6 . 19081 1 106 . 1 1 14 14 G H1 H 1 12.154 0.005 . 1 . . . A 14 G H1 . 19081 1 107 . 1 1 14 14 G H1' H 1 5.155 0.005 . 1 . . . A 14 G H1' . 19081 1 108 . 1 1 14 14 G H2' H 1 4.697 0.005 . 1 . . . A 14 G H2' . 19081 1 109 . 1 1 14 14 G H3' H 1 4.560 0.005 . 1 . . . A 14 G H3' . 19081 1 110 . 1 1 14 14 G H4' H 1 4.405 0.005 . 1 . . . A 14 G H4' . 19081 1 111 . 1 1 14 14 G H5' H 1 4.369 0.005 . 1 . . . A 14 G H5' . 19081 1 112 . 1 1 14 14 G H5'' H 1 4.243 0.005 . 1 . . . A 14 G H5'' . 19081 1 113 . 1 1 14 14 G H8 H 1 7.959 0.005 . 1 . . . A 14 G H8 . 19081 1 114 . 1 1 14 14 G H21 H 1 7.898 0.005 . 1 . . . A 14 G H21 . 19081 1 115 . 1 1 14 14 G H22 H 1 5.981 0.005 . 1 . . . A 14 G H22 . 19081 1 116 . 1 1 15 15 A H1' H 1 5.964 0.005 . 1 . . . A 15 A H1' . 19081 1 117 . 1 1 15 15 A H2 H 1 7.268 0.005 . 1 . . . A 15 A H2 . 19081 1 118 . 1 1 15 15 A H2' H 1 4.686 0.005 . 1 . . . A 15 A H2' . 19081 1 119 . 1 1 15 15 A H3' H 1 4.656 0.005 . 1 . . . A 15 A H3' . 19081 1 120 . 1 1 15 15 A H4' H 1 4.569 0.005 . 1 . . . A 15 A H4' . 19081 1 121 . 1 1 15 15 A H5'' H 1 4.244 0.005 . 1 . . . A 15 A H5'' . 19081 1 122 . 1 1 15 15 A H8 H 1 7.859 0.005 . 1 . . . A 15 A H8 . 19081 1 123 . 1 1 15 15 A H61 H 1 8.001 0.005 . 1 . . . A 15 A H61 . 19081 1 124 . 1 1 15 15 A H62 H 1 6.728 0.005 . 1 . . . A 15 A H62 . 19081 1 125 . 1 1 16 16 A H1' H 1 5.909 0.005 . 1 . . . A 16 A H1' . 19081 1 126 . 1 1 16 16 A H2 H 1 7.775 0.005 . 1 . . . A 16 A H2 . 19081 1 127 . 1 1 16 16 A H2' H 1 4.448 0.005 . 1 . . . A 16 A H2' . 19081 1 128 . 1 1 16 16 A H3' H 1 4.572 0.005 . 1 . . . A 16 A H3' . 19081 1 129 . 1 1 16 16 A H4' H 1 4.534 0.005 . 1 . . . A 16 A H4' . 19081 1 130 . 1 1 16 16 A H5'' H 1 4.143 0.005 . 1 . . . A 16 A H5'' . 19081 1 131 . 1 1 16 16 A H8 H 1 7.798 0.005 . 1 . . . A 16 A H8 . 19081 1 132 . 1 1 16 16 A H61 H 1 8.169 0.005 . 1 . . . A 16 A H61 . 19081 1 133 . 1 1 16 16 A H62 H 1 6.926 0.005 . 1 . . . A 16 A H62 . 19081 1 134 . 1 1 17 17 U H1' H 1 5.464 0.005 . 1 . . . A 17 U H1' . 19081 1 135 . 1 1 17 17 U H2' H 1 4.409 0.005 . 1 . . . A 17 U H2' . 19081 1 136 . 1 1 17 17 U H3 H 1 14.193 0.005 . 1 . . . A 17 U H3 . 19081 1 137 . 1 1 17 17 U H5 H 1 5.028 0.005 . 1 . . . A 17 U H5 . 19081 1 138 . 1 1 17 17 U H5'' H 1 4.066 0.005 . 1 . . . A 17 U H5'' . 19081 1 139 . 1 1 17 17 U H6 H 1 7.570 0.005 . 1 . . . A 17 U H6 . 19081 1 140 . 1 1 18 18 C H1' H 1 5.550 0.005 . 1 . . . A 18 C H1' . 19081 1 141 . 1 1 18 18 C H2' H 1 4.345 0.005 . 1 . . . A 18 C H2' . 19081 1 142 . 1 1 18 18 C H3' H 1 4.440 0.005 . 1 . . . A 18 C H3' . 19081 1 143 . 1 1 18 18 C H4' H 1 4.441 0.005 . 1 . . . A 18 C H4' . 19081 1 144 . 1 1 18 18 C H5 H 1 5.609 0.005 . 1 . . . A 18 C H5 . 19081 1 145 . 1 1 18 18 C H5'' H 1 4.078 0.005 . 1 . . . A 18 C H5'' . 19081 1 146 . 1 1 18 18 C H6 H 1 7.782 0.005 . 1 . . . A 18 C H6 . 19081 1 147 . 1 1 18 18 C H41 H 1 8.433 0.005 . 1 . . . A 18 C H41 . 19081 1 148 . 1 1 18 18 C H42 H 1 7.031 0.005 . 1 . . . A 18 C H42 . 19081 1 149 . 1 1 19 19 U H1' H 1 5.487 0.005 . 1 . . . A 19 U H1' . 19081 1 150 . 1 1 19 19 U H2' H 1 4.605 0.005 . 1 . . . A 19 U H2' . 19081 1 151 . 1 1 19 19 U H3 H 1 13.421 0.005 . 1 . . . A 19 U H3 . 19081 1 152 . 1 1 19 19 U H5 H 1 5.389 0.005 . 1 . . . A 19 U H5 . 19081 1 153 . 1 1 19 19 U H5'' H 1 4.105 0.005 . 1 . . . A 19 U H5'' . 19081 1 154 . 1 1 19 19 U H6 H 1 7.831 0.005 . 1 . . . A 19 U H6 . 19081 1 155 . 1 1 20 20 G H1 H 1 12.561 0.005 . 1 . . . A 20 G H1 . 19081 1 156 . 1 1 20 20 G H1' H 1 5.789 0.005 . 1 . . . A 20 G H1' . 19081 1 157 . 1 1 20 20 G H2' H 1 4.487 0.005 . 1 . . . A 20 G H2' . 19081 1 158 . 1 1 20 20 G H3' H 1 4.442 0.005 . 1 . . . A 20 G H3' . 19081 1 159 . 1 1 20 20 G H5'' H 1 4.149 0.005 . 1 . . . A 20 G H5'' . 19081 1 160 . 1 1 20 20 G H8 H 1 7.776 0.005 . 1 . . . A 20 G H8 . 19081 1 161 . 1 1 20 20 G H21 H 1 8.155 0.005 . 1 . . . A 20 G H21 . 19081 1 162 . 1 1 20 20 G H22 H 1 5.971 0.005 . 1 . . . A 20 G H22 . 19081 1 163 . 1 1 21 21 C H1' H 1 5.480 0.005 . 1 . . . A 21 C H1' . 19081 1 164 . 1 1 21 21 C H2' H 1 4.221 0.005 . 1 . . . A 21 C H2' . 19081 1 165 . 1 1 21 21 C H3' H 1 4.445 0.005 . 1 . . . A 21 C H3' . 19081 1 166 . 1 1 21 21 C H4' H 1 4.393 0.005 . 1 . . . A 21 C H4' . 19081 1 167 . 1 1 21 21 C H5 H 1 5.212 0.005 . 1 . . . A 21 C H5 . 19081 1 168 . 1 1 21 21 C H5'' H 1 4.053 0.005 . 1 . . . A 21 C H5'' . 19081 1 169 . 1 1 21 21 C H6 H 1 7.684 0.005 . 1 . . . A 21 C H6 . 19081 1 170 . 1 1 21 21 C H41 H 1 8.575 0.005 . 1 . . . A 21 C H41 . 19081 1 171 . 1 1 21 21 C H42 H 1 6.966 0.005 . 1 . . . A 21 C H42 . 19081 1 172 . 1 1 22 22 C H1' H 1 5.745 0.005 . 1 . . . A 22 C H1' . 19081 1 173 . 1 1 22 22 C H2' H 1 3.999 0.005 . 1 . . . A 22 C H2' . 19081 1 174 . 1 1 22 22 C H3' H 1 4.162 0.005 . 1 . . . A 22 C H3' . 19081 1 175 . 1 1 22 22 C H4' H 1 4.164 0.005 . 1 . . . A 22 C H4' . 19081 1 176 . 1 1 22 22 C H5 H 1 5.490 0.005 . 1 . . . A 22 C H5 . 19081 1 177 . 1 1 22 22 C H6 H 1 7.658 0.005 . 1 . . . A 22 C H6 . 19081 1 178 . 1 1 22 22 C H41 H 1 8.441 0.005 . 1 . . . A 22 C H41 . 19081 1 179 . 1 1 22 22 C H42 H 1 7.032 0.005 . 1 . . . A 22 C H42 . 19081 1 stop_ save_