data_16479 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16479 _Entry.Title ; 1H and 13C resonance assignments of a guanine sensing riboswitch's terminator hairpin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-09-04 _Entry.Accession_date 2009-09-04 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Otmar Ottink . M. . 16479 2 Ivo Westerweele . M. . 16479 3 Frank Nelissen . H.T. . 16479 4 Marco Tessari . . . 16479 5 Hans Heus . A. . 16479 6 Sybren Wijmenga . S. . 16479 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Biophysical Chemistry, Institute for Molecules and Materials, Radboud University Nijmegen' . 16479 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16479 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 90 16479 '1H chemical shifts' 119 16479 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 . . 2010-05-18 2009-09-04 update BMRB 'complete entry citation' 16479 1 . . 2010-03-15 2009-09-04 original author 'original release' 16479 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16479 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20204714 _Citation.Full_citation . _Citation.Title '(1)H and (13)C resonance assignments of a guanine sensing riboswitch's terminator hairpin.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 4 _Citation.Journal_issue 1 _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 89 _Citation.Page_last 91 _Citation.Year 2010 _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 Otmar Ottink . M. . 16479 1 2 Ivo Westerweele . M. . 16479 1 3 Marco Tesssari . . . 16479 1 4 Frank Nelissen . H.T. . 16479 1 5 Hans Heus . A. . 16479 1 6 Sybren Wijmenga . S. . 16479 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Gene regulation' 16479 1 mRNA 16479 1 'Resonance assignment' 16479 1 Riboswitch 16479 1 'Transcription termination' 16479 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16479 _Assembly.ID 1 _Assembly.Name 'G-riboswitch terminator hairpin' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _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 'subunit 1' 1 $G-riboswitch_terminator_hairpin A . yes native no no . . . 16479 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_G-riboswitch_terminator_hairpin _Entity.Sf_category entity _Entity.Sf_framecode G-riboswitch_terminator_hairpin _Entity.Entry_ID 16479 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name G-riboswitch_terminator_hairpin _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 ; GGCAUUGCUUGCUCUUUAUU UGAGCGGGCAAUGCC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 35 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 121 G . 16479 1 2 122 G . 16479 1 3 123 C . 16479 1 4 124 A . 16479 1 5 125 U . 16479 1 6 126 U . 16479 1 7 127 G . 16479 1 8 128 C . 16479 1 9 129 U . 16479 1 10 130 U . 16479 1 11 131 G . 16479 1 12 132 C . 16479 1 13 133 U . 16479 1 14 134 C . 16479 1 15 135 U . 16479 1 16 136 U . 16479 1 17 137 U . 16479 1 18 138 A . 16479 1 19 139 U . 16479 1 20 140 U . 16479 1 21 141 U . 16479 1 22 142 G . 16479 1 23 143 A . 16479 1 24 144 G . 16479 1 25 145 C . 16479 1 26 146 G . 16479 1 27 147 G . 16479 1 28 148 G . 16479 1 29 149 C . 16479 1 30 150 A . 16479 1 31 151 A . 16479 1 32 152 U . 16479 1 33 153 G . 16479 1 34 154 C . 16479 1 35 155 C . 16479 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 16479 1 . G 2 2 16479 1 . C 3 3 16479 1 . A 4 4 16479 1 . U 5 5 16479 1 . U 6 6 16479 1 . G 7 7 16479 1 . C 8 8 16479 1 . U 9 9 16479 1 . U 10 10 16479 1 . G 11 11 16479 1 . C 12 12 16479 1 . U 13 13 16479 1 . C 14 14 16479 1 . U 15 15 16479 1 . U 16 16 16479 1 . U 17 17 16479 1 . A 18 18 16479 1 . U 19 19 16479 1 . U 20 20 16479 1 . U 21 21 16479 1 . G 22 22 16479 1 . A 23 23 16479 1 . G 24 24 16479 1 . C 25 25 16479 1 . G 26 26 16479 1 . G 27 27 16479 1 . G 28 28 16479 1 . C 29 29 16479 1 . A 30 30 16479 1 . A 31 31 16479 1 . U 32 32 16479 1 . G 33 33 16479 1 . C 34 34 16479 1 . C 35 35 16479 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 16479 _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 $G-riboswitch_terminator_hairpin . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 16479 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 16479 _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 $G-riboswitch_terminator_hairpin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pUC18 . . . . . . 16479 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16479 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'G-riboswitch terminator hairpin' 'natural abundance' . . 1 $G-riboswitch_terminator_hairpin . . 0.44 . . mM . . . . 16479 1 2 D2O 'natural abundance' . . . . . . 7 . . % . . . . 16479 1 3 H2O 'natural abundance' . . . . . . 93 . . % . . . . 16479 1 4 'NaPhosphate buffer (ph 6.7)' 'natural abundance' . . . . . . 10 . . mM . . . . 16479 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16479 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _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 'G-riboswitch terminator hairpin' 'natural abundance' . . 1 $G-riboswitch_terminator_hairpin . . 0.44 . . mM . . . . 16479 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16479 2 3 'NaPhosphate buffer (ph 6.7)' 'natural abundance' . . . . . . 10 . . mM . . . . 16479 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 16479 _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' 10 . mM 16479 1 pH 6.7 . pH 16479 1 pressure 1 . atm 16479 1 temperature 288 . K 16479 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16479 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16479 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16479 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16479 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16479 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16479 2 'peak picking' 16479 2 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 16479 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 16479 _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 Varian INOVA . 800 . . . 16479 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 16479 _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 . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16479 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16479 1 3 '2D DQF-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16479 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16479 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_set _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_set _Chem_shift_reference.Entry_ID 16479 _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 water protons . . . . ppm 4.868 internal indirect 0.251449530 . . . . . . . . . 16479 1 H 1 water protons . . . . ppm 4.868 internal direct 1 . . . . . . . . . 16479 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 16479 _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_set _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' . . . 16479 1 2 '2D 1H-1H NOESY' . . . 16479 1 3 '2D DQF-COSY' . . . 16479 1 4 '2D 1H-13C HSQC' . . . 16479 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 5.786 0.0009 . 1 . . . . 121 G H1' . 16479 1 2 . 1 1 1 1 G H2' H 1 4.927 0.0050 . 1 . . . . 121 G H2' . 16479 1 3 . 1 1 1 1 G H8 H 1 8.133 0.0004 . 1 . . . . 121 G H8 . 16479 1 4 . 1 1 1 1 G C1' C 13 91.48 0.0050 . 1 . . . . 121 G C1' . 16479 1 5 . 1 1 1 1 G C8 C 13 139.1 0.0050 . 1 . . . . 121 G C8 . 16479 1 6 . 1 1 2 2 G H1 H 1 13.30 0.0014 . 1 . . . . 122 G H1 . 16479 1 7 . 1 1 2 2 G H1' H 1 5.898 0.0011 . 1 . . . . 122 G H1' . 16479 1 8 . 1 1 2 2 G H8 H 1 7.616 0.0015 . 1 . . . . 122 G H8 . 16479 1 9 . 1 1 2 2 G C1' C 13 92.92 0.0050 . 1 . . . . 122 G C1' . 16479 1 10 . 1 1 2 2 G C8 C 13 136.8 0.0050 . 1 . . . . 122 G C8 . 16479 1 11 . 1 1 3 3 C H1' H 1 5.506 0.0013 . 1 . . . . 123 C H1' . 16479 1 12 . 1 1 3 3 C H5 H 1 5.272 0.0029 . 1 . . . . 123 C H5 . 16479 1 13 . 1 1 3 3 C H6 H 1 7.680 0.0037 . 1 . . . . 123 C H6 . 16479 1 14 . 1 1 3 3 C C1' C 13 94.20 0.0050 . 5 . . . . 123 C C1' . 16479 1 15 . 1 1 3 3 C C5 C 13 97.46 0.0050 . 1 . . . . 123 C C5 . 16479 1 16 . 1 1 3 3 C C6 C 13 140.6 0.0050 . 1 . . . . 123 C C6 . 16479 1 17 . 1 1 4 4 A H1' H 1 5.938 0.0007 . 1 . . . . 124 A H1' . 16479 1 18 . 1 1 4 4 A H2 H 1 7.283 0.0018 . 1 . . . . 124 A H2 . 16479 1 19 . 1 1 4 4 A H8 H 1 8.016 0.0047 . 1 . . . . 124 A H8 . 16479 1 20 . 1 1 4 4 A C1' C 13 93.20 0.0050 . 1 . . . . 124 A C1' . 16479 1 21 . 1 1 4 4 A C2 C 13 152.9 0.0050 . 1 . . . . 124 A C2 . 16479 1 22 . 1 1 4 4 A C8 C 13 139.6 0.0050 . 1 . . . . 124 A C8 . 16479 1 23 . 1 1 5 5 U H1' H 1 5.444 0.0010 . 1 . . . . 125 U H1' . 16479 1 24 . 1 1 5 5 U H3 H 1 14.06 0.0008 . 1 . . . . 125 U H3 . 16479 1 25 . 1 1 5 5 U H5 H 1 5.016 0.0007 . 1 . . . . 125 U H5 . 16479 1 26 . 1 1 5 5 U H6 H 1 7.620 0.0020 . 1 . . . . 125 U H6 . 16479 1 27 . 1 1 5 5 U C1' C 13 93.60 0.0050 . 1 . . . . 125 U C1' . 16479 1 28 . 1 1 5 5 U C6 C 13 141.5 0.0050 . 1 . . . . 125 U C6 . 16479 1 29 . 1 1 6 6 U H1' H 1 5.608 0.0010 . 1 . . . . 126 U H1' . 16479 1 30 . 1 1 6 6 U H3 H 1 13.18 0.0011 . 1 . . . . 126 U H3 . 16479 1 31 . 1 1 6 6 U H5 H 1 5.492 0.0021 . 1 . . . . 126 U H5 . 16479 1 32 . 1 1 6 6 U H6 H 1 7.917 0.0013 . 1 . . . . 126 U H6 . 16479 1 33 . 1 1 6 6 U C1' C 13 93.20 0.0050 . 1 . . . . 126 U C1' . 16479 1 34 . 1 1 6 6 U C5 C 13 103.8 0.0050 . 1 . . . . 126 U C5 . 16479 1 35 . 1 1 6 6 U C6 C 13 142.5 0.0050 . 5 . . . . 126 U C6 . 16479 1 36 . 1 1 7 7 G H1 H 1 12.43 0.0004 . 1 . . . . 127 G H1 . 16479 1 37 . 1 1 7 7 G H1' H 1 5.749 0.0006 . 1 . . . . 127 G H1' . 16479 1 38 . 1 1 7 7 G H8 H 1 7.739 0.0012 . 1 . . . . 127 G H8 . 16479 1 39 . 1 1 7 7 G C1' C 13 93.36 0.0050 . 1 . . . . 127 G C1' . 16479 1 40 . 1 1 7 7 G C8 C 13 136.3 0.0050 . 1 . . . . 127 G C8 . 16479 1 41 . 1 1 8 8 C H1' H 1 5.430 0.0010 . 1 . . . . 128 C H1' . 16479 1 42 . 1 1 8 8 C H5 H 1 5.115 0.0028 . 1 . . . . 128 C H5 . 16479 1 43 . 1 1 8 8 C H6 H 1 7.538 0.0010 . 1 . . . . 128 C H6 . 16479 1 44 . 1 1 8 8 C C5 C 13 97.11 0.0050 . 1 . . . . 128 C C5 . 16479 1 45 . 1 1 8 8 C C6 C 13 140.6 0.0050 . 1 . . . . 128 C C6 . 16479 1 46 . 1 1 9 9 U H1' H 1 5.601 0.0018 . 1 . . . . 129 U H1' . 16479 1 47 . 1 1 9 9 U H3 H 1 11.68 0.0019 . 1 . . . . 129 U H3 . 16479 1 48 . 1 1 9 9 U H5 H 1 5.668 0.0014 . 1 . . . . 129 U H5 . 16479 1 49 . 1 1 9 9 U H6 H 1 7.787 0.0014 . 1 . . . . 129 U H6 . 16479 1 50 . 1 1 9 9 U C1' C 13 94.64 0.0050 . 1 . . . . 129 U C1' . 16479 1 51 . 1 1 9 9 U C5 C 13 105.0 0.0050 . 5 . . . . 129 U C5 . 16479 1 52 . 1 1 9 9 U C6 C 13 141.1 0.0050 . 1 . . . . 129 U C6 . 16479 1 53 . 1 1 10 10 U H1' H 1 5.691 0.0009 . 1 . . . . 130 U H1' . 16479 1 54 . 1 1 10 10 U H2' H 1 4.322 0.0050 . 1 . . . . 130 U H2' . 16479 1 55 . 1 1 10 10 U H3 H 1 11.76 0.0012 . 1 . . . . 130 U H3 . 16479 1 56 . 1 1 10 10 U H5 H 1 5.639 0.0012 . 1 . . . . 130 U H5 . 16479 1 57 . 1 1 10 10 U H6 H 1 7.918 0.0029 . 1 . . . . 130 U H6 . 16479 1 58 . 1 1 10 10 U C1' C 13 92.63 0.0050 . 5 . . . . 130 U C1' . 16479 1 59 . 1 1 10 10 U C5 C 13 104.7 0.0050 . 1 . . . . 130 U C5 . 16479 1 60 . 1 1 10 10 U C6 C 13 141.9 0.0050 . 5 . . . . 130 U C6 . 16479 1 61 . 1 1 11 11 G H1 H 1 12.83 0.0005 . 1 . . . . 131 G H1 . 16479 1 62 . 1 1 11 11 G H1' H 1 5.698 0.0013 . 1 . . . . 131 G H1' . 16479 1 63 . 1 1 11 11 G H8 H 1 7.965 0.0018 . 1 . . . . 131 G H8 . 16479 1 64 . 1 1 11 11 G C1' C 13 92.66 0.0050 . 5 . . . . 131 G C1' . 16479 1 65 . 1 1 11 11 G C8 C 13 137.7 0.0050 . 1 . . . . 131 G C8 . 16479 1 66 . 1 1 12 12 C H1' H 1 5.508 0.0008 . 1 . . . . 132 C H1' . 16479 1 67 . 1 1 12 12 C H5 H 1 5.229 0.0011 . 1 . . . . 132 C H5 . 16479 1 68 . 1 1 12 12 C H6 H 1 7.710 0.0019 . 1 . . . . 132 C H6 . 16479 1 69 . 1 1 12 12 C C1' C 13 92.66 0.0050 . 5 . . . . 132 C C1' . 16479 1 70 . 1 1 12 12 C C5 C 13 97.07 0.0050 . 1 . . . . 132 C C5 . 16479 1 71 . 1 1 12 12 C C6 C 13 141.3 0.0050 . 5 . . . . 132 C C6 . 16479 1 72 . 1 1 13 13 U H1' H 1 5.546 0.0029 . 1 . . . . 133 U H1' . 16479 1 73 . 1 1 13 13 U H3 H 1 13.89 0.0010 . 1 . . . . 133 U H3 . 16479 1 74 . 1 1 13 13 U H5 H 1 5.392 0.0005 . 1 . . . . 133 U H5 . 16479 1 75 . 1 1 13 13 U H6 H 1 7.933 0.0016 . 1 . . . . 133 U H6 . 16479 1 76 . 1 1 13 13 U C1' C 13 94.02 0.0050 . 1 . . . . 133 U C1' . 16479 1 77 . 1 1 13 13 U C5 C 13 103.2 0.0050 . 1 . . . . 133 U C5 . 16479 1 78 . 1 1 13 13 U C6 C 13 142.3 0.0050 . 1 . . . . 133 U C6 . 16479 1 79 . 1 1 14 14 C H5 H 1 5.598 0.0014 . 1 . . . . 134 C H5 . 16479 1 80 . 1 1 14 14 C H6 H 1 7.701 0.0007 . 1 . . . . 134 C H6 . 16479 1 81 . 1 1 14 14 C C5 C 13 97.66 0.0050 . 1 . . . . 134 C C5 . 16479 1 82 . 1 1 14 14 C C6 C 13 141.8 0.0050 . 5 . . . . 134 C C6 . 16479 1 83 . 1 1 15 15 U H1' H 1 5.533 0.0005 . 1 . . . . 135 U H1' . 16479 1 84 . 1 1 15 15 U H5 H 1 5.572 0.0012 . 1 . . . . 135 U H5 . 16479 1 85 . 1 1 15 15 U H6 H 1 7.738 0.0036 . 1 . . . . 135 U H6 . 16479 1 86 . 1 1 15 15 U C1' C 13 93.71 0.0050 . 1 . . . . 135 U C1' . 16479 1 87 . 1 1 15 15 U C5 C 13 104.8 0.0050 . 1 . . . . 135 U C5 . 16479 1 88 . 1 1 15 15 U C6 C 13 140.9 0.0050 . 1 . . . . 135 U C6 . 16479 1 89 . 1 1 16 16 U H1' H 1 5.488 0.0009 . 1 . . . . 136 U H1' . 16479 1 90 . 1 1 16 16 U H2' H 1 4.165 0.0050 . 1 . . . . 136 U H2' . 16479 1 91 . 1 1 16 16 U H5 H 1 5.545 0.0020 . 1 . . . . 136 U H5 . 16479 1 92 . 1 1 16 16 U H6 H 1 7.750 0.0013 . 1 . . . . 136 U H6 . 16479 1 93 . 1 1 16 16 U C1' C 13 92.75 0.0050 . 1 . . . . 136 U C1' . 16479 1 94 . 1 1 16 16 U C5 C 13 104.0 0.0050 . 1 . . . . 136 U C5 . 16479 1 95 . 1 1 16 16 U C6 C 13 142.4 0.0050 . 1 . . . . 136 U C6 . 16479 1 96 . 1 1 17 17 U H1' H 1 5.552 0.0012 . 1 . . . . 137 U H1' . 16479 1 97 . 1 1 17 17 U H2' H 1 4.069 0.0050 . 1 . . . . 137 U H2' . 16479 1 98 . 1 1 17 17 U H5 H 1 5.672 0.0010 . 1 . . . . 137 U H5 . 16479 1 99 . 1 1 17 17 U H6 H 1 7.598 0.0013 . 1 . . . . 137 U H6 . 16479 1 100 . 1 1 17 17 U C1' C 13 89.97 0.0050 . 1 . . . . 137 U C1' . 16479 1 101 . 1 1 17 17 U C5 C 13 105.1 0.0050 . 5 . . . . 137 U C5 . 16479 1 102 . 1 1 17 17 U C6 C 13 143.6 0.0050 . 1 . . . . 137 U C6 . 16479 1 103 . 1 1 18 18 A H1' H 1 6.003 0.0007 . 1 . . . . 138 A H1' . 16479 1 104 . 1 1 18 18 A H2 H 1 8.104 0.0013 . 1 . . . . 138 A H2 . 16479 1 105 . 1 1 18 18 A H2' H 1 4.847 0.0050 . 1 . . . . 138 A H2' . 16479 1 106 . 1 1 18 18 A H8 H 1 8.264 0.0006 . 1 . . . . 138 A H8 . 16479 1 107 . 1 1 18 18 A C1' C 13 90.31 0.0050 . 1 . . . . 138 A C1' . 16479 1 108 . 1 1 18 18 A C2 C 13 155.4 0.0050 . 1 . . . . 138 A C2 . 16479 1 109 . 1 1 18 18 A C8 C 13 142.6 0.0050 . 1 . . . . 138 A C8 . 16479 1 110 . 1 1 19 19 U H1' H 1 5.979 0.0010 . 1 . . . . 139 U H1' . 16479 1 111 . 1 1 19 19 U H2' H 1 4.404 0.0050 . 1 . . . . 139 U H2' . 16479 1 112 . 1 1 19 19 U H5 H 1 5.870 0.0011 . 1 . . . . 139 U H5 . 16479 1 113 . 1 1 19 19 U H6 H 1 7.838 0.0011 . 1 . . . . 139 U H6 . 16479 1 114 . 1 1 19 19 U C1' C 13 90.58 0.0050 . 1 . . . . 139 U C1' . 16479 1 115 . 1 1 19 19 U C5 C 13 105.4 0.0050 . 1 . . . . 139 U C5 . 16479 1 116 . 1 1 19 19 U C6 C 13 144.1 0.0050 . 1 . . . . 139 U C6 . 16479 1 117 . 1 1 20 20 U H1' H 1 5.840 0.0018 . 1 . . . . 140 U H1' . 16479 1 118 . 1 1 20 20 U H2' H 1 4.363 0.0050 . 1 . . . . 140 U H2' . 16479 1 119 . 1 1 20 20 U H5 H 1 5.804 0.0012 . 1 . . . . 140 U H5 . 16479 1 120 . 1 1 20 20 U H6 H 1 7.770 0.0015 . 1 . . . . 140 U H6 . 16479 1 121 . 1 1 20 20 U C1' C 13 90.84 0.0050 . 1 . . . . 140 U C1' . 16479 1 122 . 1 1 20 20 U C5 C 13 105.1 0.0050 . 1 . . . . 140 U C5 . 16479 1 123 . 1 1 20 20 U C6 C 13 143.8 0.0050 . 1 . . . . 140 U C6 . 16479 1 124 . 1 1 21 21 U H1' H 1 5.450 0.0014 . 1 . . . . 141 U H1' . 16479 1 125 . 1 1 21 21 U H2' H 1 4.592 0.0050 . 1 . . . . 141 U H2' . 16479 1 126 . 1 1 21 21 U H5 H 1 5.834 0.0013 . 1 . . . . 141 U H5 . 16479 1 127 . 1 1 21 21 U H6 H 1 7.859 0.0009 . 1 . . . . 141 U H6 . 16479 1 128 . 1 1 21 21 U C1' C 13 93.50 0.0050 . 1 . . . . 141 U C1' . 16479 1 129 . 1 1 21 21 U C5 C 13 104.4 0.0050 . 1 . . . . 141 U C5 . 16479 1 130 . 1 1 21 21 U C6 C 13 143.3 0.0050 . 1 . . . . 141 U C6 . 16479 1 131 . 1 1 22 22 G H1 H 1 12.24 0.0050 . 1 . . . . 142 G H1 . 16479 1 132 . 1 1 22 22 G H1' H 1 5.767 0.0005 . 1 . . . . 142 G H1' . 16479 1 133 . 1 1 22 22 G H2' H 1 4.697 0.0050 . 1 . . . . 142 G H2' . 16479 1 134 . 1 1 22 22 G H8 H 1 7.759 0.0005 . 1 . . . . 142 G H8 . 16479 1 135 . 1 1 22 22 G C1' C 13 91.92 0.0050 . 1 . . . . 142 G C1' . 16479 1 136 . 1 1 22 22 G C8 C 13 136.8 0.0050 . 1 . . . . 142 G C8 . 16479 1 137 . 1 1 23 23 A H1' H 1 5.974 0.0013 . 1 . . . . 143 A H1' . 16479 1 138 . 1 1 23 23 A H2 H 1 7.427 0.0006 . 1 . . . . 143 A H2 . 16479 1 139 . 1 1 23 23 A H8 H 1 7.718 0.0011 . 1 . . . . 143 A H8 . 16479 1 140 . 1 1 23 23 A C1' C 13 93.27 0.0050 . 1 . . . . 143 A C1' . 16479 1 141 . 1 1 23 23 A C2 C 13 153.3 0.0050 . 1 . . . . 143 A C2 . 16479 1 142 . 1 1 23 23 A C8 C 13 139.6 0.0050 . 1 . . . . 143 A C8 . 16479 1 143 . 1 1 24 24 G H1 H 1 13.34 0.0007 . 1 . . . . 144 G H1 . 16479 1 144 . 1 1 24 24 G H1' H 1 5.688 0.0005 . 1 . . . . 144 G H1' . 16479 1 145 . 1 1 24 24 G H8 H 1 7.242 0.0007 . 1 . . . . 144 G H8 . 16479 1 146 . 1 1 24 24 G C1' C 13 92.22 0.0050 . 5 . . . . 144 G C1' . 16479 1 147 . 1 1 24 24 G C8 C 13 135.8 0.0050 . 1 . . . . 144 G C8 . 16479 1 148 . 1 1 25 25 C H1' H 1 5.592 0.0005 . 1 . . . . 145 C H1' . 16479 1 149 . 1 1 25 25 C H5 H 1 5.156 0.0011 . 1 . . . . 145 C H5 . 16479 1 150 . 1 1 25 25 C H6 H 1 7.523 0.0007 . 1 . . . . 145 C H6 . 16479 1 151 . 1 1 25 25 C C1' C 13 93.17 0.0050 . 1 . . . . 145 C C1' . 16479 1 152 . 1 1 25 25 C C5 C 13 97.35 0.0050 . 1 . . . . 145 C C5 . 16479 1 153 . 1 1 25 25 C C6 C 13 140.5 0.0050 . 1 . . . . 145 C C6 . 16479 1 154 . 1 1 26 26 G H1 H 1 10.21 0.0022 . 1 . . . . 146 G H1 . 16479 1 155 . 1 1 26 26 G H1' H 1 5.781 0.0025 . 1 . . . . 146 G H1' . 16479 1 156 . 1 1 26 26 G H8 H 1 7.556 0.0017 . 1 . . . . 146 G H8 . 16479 1 157 . 1 1 26 26 G C1' C 13 93.28 0.0050 . 1 . . . . 146 G C1' . 16479 1 158 . 1 1 26 26 G C8 C 13 137.6 0.0050 . 1 . . . . 146 G C8 . 16479 1 159 . 1 1 27 27 G H1 H 1 10.99 0.0008 . 1 . . . . 147 G H1 . 16479 1 160 . 1 1 27 27 G H1' H 1 5.750 0.0015 . 1 . . . . 147 G H1' . 16479 1 161 . 1 1 27 27 G H8 H 1 7.044 0.0013 . 1 . . . . 147 G H8 . 16479 1 162 . 1 1 27 27 G C1' C 13 92.57 0.0050 . 1 . . . . 147 G C1' . 16479 1 163 . 1 1 27 27 G C8 C 13 136.8 0.0050 . 1 . . . . 147 G C8 . 16479 1 164 . 1 1 28 28 G H1 H 1 13.22 0.0036 . 1 . . . . 148 G H1 . 16479 1 165 . 1 1 28 28 G H1' H 1 5.498 0.0004 . 1 . . . . 148 G H1' . 16479 1 166 . 1 1 28 28 G H8 H 1 7.218 0.0013 . 1 . . . . 148 G H8 . 16479 1 167 . 1 1 28 28 G C1' C 13 93.76 0.0050 . 1 . . . . 148 G C1' . 16479 1 168 . 1 1 28 28 G C8 C 13 136.0 0.0050 . 1 . . . . 148 G C8 . 16479 1 169 . 1 1 29 29 C H1' H 1 5.749 0.0050 . 1 . . . . 149 C H1' . 16479 1 170 . 1 1 29 29 C H5 H 1 5.206 0.0018 . 1 . . . . 149 C H5 . 16479 1 171 . 1 1 29 29 C H6 H 1 7.612 0.0014 . 1 . . . . 149 C H6 . 16479 1 172 . 1 1 29 29 C C5 C 13 97.41 0.0050 . 1 . . . . 149 C C5 . 16479 1 173 . 1 1 29 29 C C6 C 13 140.7 0.0050 . 1 . . . . 149 C C6 . 16479 1 174 . 1 1 30 30 A H1' H 1 5.863 0.0010 . 1 . . . . 150 A H1' . 16479 1 175 . 1 1 30 30 A H2 H 1 6.665 0.0009 . 1 . . . . 150 A H2 . 16479 1 176 . 1 1 30 30 A H8 H 1 7.982 0.0011 . 1 . . . . 150 A H8 . 16479 1 177 . 1 1 30 30 A C1' C 13 93.11 0.0050 . 1 . . . . 150 A C1' . 16479 1 178 . 1 1 30 30 A C2 C 13 152.0 0.0050 . 1 . . . . 150 A C2 . 16479 1 179 . 1 1 30 30 A C8 C 13 139.6 0.0050 . 1 . . . . 150 A C8 . 16479 1 180 . 1 1 31 31 A H1' H 1 5.880 0.0011 . 1 . . . . 151 A H1' . 16479 1 181 . 1 1 31 31 A H2 H 1 7.640 0.0028 . 1 . . . . 151 A H2 . 16479 1 182 . 1 1 31 31 A H8 H 1 7.858 0.0013 . 1 . . . . 151 A H8 . 16479 1 183 . 1 1 31 31 A C1' C 13 92.68 0.0050 . 1 . . . . 151 A C1' . 16479 1 184 . 1 1 31 31 A C2 C 13 153.8 0.0050 . 1 . . . . 151 A C2 . 16479 1 185 . 1 1 31 31 A C8 C 13 139.3 0.0050 . 1 . . . . 151 A C8 . 16479 1 186 . 1 1 32 32 U H1' H 1 5.427 0.0018 . 1 . . . . 152 U H1' . 16479 1 187 . 1 1 32 32 U H3 H 1 13.43 0.0004 . 1 . . . . 152 U H3 . 16479 1 188 . 1 1 32 32 U H5 H 1 5.008 0.0007 . 1 . . . . 152 U H5 . 16479 1 189 . 1 1 32 32 U H6 H 1 7.564 0.0013 . 1 . . . . 152 U H6 . 16479 1 190 . 1 1 32 32 U C1' C 13 92.96 0.0050 . 1 . . . . 152 U C1' . 16479 1 191 . 1 1 32 32 U C6 C 13 140.7 0.0050 . 1 . . . . 152 U C6 . 16479 1 192 . 1 1 33 33 G H1 H 1 12.52 0.0008 . 1 . . . . 153 G H1 . 16479 1 193 . 1 1 33 33 G H1' H 1 5.783 0.0016 . 1 . . . . 153 G H1' . 16479 1 194 . 1 1 33 33 G H8 H 1 7.673 0.0009 . 1 . . . . 153 G H8 . 16479 1 195 . 1 1 33 33 G C1' C 13 92.67 0.0050 . 1 . . . . 153 G C1' . 16479 1 196 . 1 1 33 33 G C8 C 13 136.1 0.0050 . 1 . . . . 153 G C8 . 16479 1 197 . 1 1 34 34 C H1' H 1 5.474 0.0010 . 1 . . . . 154 C H1' . 16479 1 198 . 1 1 34 34 C H5 H 1 5.186 0.0004 . 1 . . . . 154 C H5 . 16479 1 199 . 1 1 34 34 C H6 H 1 7.668 0.0007 . 1 . . . . 154 C H6 . 16479 1 200 . 1 1 34 34 C C1' C 13 94.03 0.0050 . 1 . . . . 154 C C1' . 16479 1 201 . 1 1 34 34 C C5 C 13 96.97 0.0050 . 1 . . . . 154 C C5 . 16479 1 202 . 1 1 34 34 C C6 C 13 141.1 0.0050 . 1 . . . . 154 C C6 . 16479 1 203 . 1 1 35 35 C H1' H 1 5.731 0.0005 . 1 . . . . 155 C H1' . 16479 1 204 . 1 1 35 35 C H2' H 1 3.983 0.0050 . 1 . . . . 155 C H2' . 16479 1 205 . 1 1 35 35 C H5 H 1 5.485 0.0027 . 1 . . . . 155 C H5 . 16479 1 206 . 1 1 35 35 C H6 H 1 7.646 0.0005 . 1 . . . . 155 C H6 . 16479 1 207 . 1 1 35 35 C C1' C 13 92.97 0.0050 . 1 . . . . 155 C C1' . 16479 1 208 . 1 1 35 35 C C5 C 13 98.20 0.0050 . 1 . . . . 155 C C5 . 16479 1 209 . 1 1 35 35 C C6 C 13 141.7 0.0050 . 1 . . . . 155 C C6 . 16479 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 14 16479 1 1 69 16479 1 2 35 16479 1 2 60 16479 1 3 51 16479 1 3 101 16479 1 4 58 16479 1 4 64 16479 1 4 146 16479 1 5 71 16479 1 5 82 16479 1 stop_ save_