data_5559 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5559 _Entry.Title ; Partial 1H and 13C assignments for 3'-stem-loop of human U4 small nuclear RNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-10-15 _Entry.Accession_date 2002-10-16 _Entry.Last_release_date 2002-12-27 _Entry.Original_release_date 2002-12-27 _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 L. Comolli . R. . 5559 2 N. Ulyanov . B. . 5559 3 T. James . L. . 5559 4 W. Gmeiner . H. . 5559 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5559 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 67 5559 '1H chemical shifts' 117 5559 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 1 . . 2002-12-27 2002-10-15 original author . 5559 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5559 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title "NMR Structure of the 3' Stem-Loop from Human U4 snRNA" _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 20 _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 4371 _Citation.Page_last 4379 _Citation.Year 2002 _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 L. Comolli . R. . 5559 1 2 N. Ulyanov . B. . 5559 1 3 A. Soto . M. . 5559 1 4 L. Marky . A. . 5559 1 5 T. James . L. . 5559 1 6 W. Gmeiner . H. . 5559 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'RIBONUCLEIC ACID' 5559 1 'RNA OLIGONUCLEOTIDE' 5559 1 STEM-AND-LOOP 5559 1 'U4 SMALL NUCLEAR RNA' 5559 1 'UACG TETRALOOP' 5559 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_3_SL_of_U4_snRNA _Assembly.Sf_category assembly _Assembly.Sf_framecode system_3_SL_of_U4_snRNA _Assembly.Entry_ID 5559 _Assembly.ID 1 _Assembly.Name '3'-stem-loop of human U4 snRNA' _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 5559 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 '3'SL of U4 snRNA' 1 $3_SL . . . native . . . . . 5559 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 1MFJ . . . . . . 5559 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID '3'SL of U4 snRNA' abbreviation 5559 1 '3'-stem-loop of human U4 snRNA' system 5559 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_3_SL _Entity.Sf_category entity _Entity.Sf_framecode 3_SL _Entity.Entry_ID 5559 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'single chain of 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 ; GACAGUCUCUACGGAGACUG ; _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 20 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID RNA abbreviation 5559 1 'single chain of RNA' common 5559 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 . 5559 1 2 . A . 5559 1 3 . C . 5559 1 4 . A . 5559 1 5 . G . 5559 1 6 . U . 5559 1 7 . C . 5559 1 8 . U . 5559 1 9 . C . 5559 1 10 . U . 5559 1 11 . A . 5559 1 12 . C . 5559 1 13 . G . 5559 1 14 . G . 5559 1 15 . A . 5559 1 16 . G . 5559 1 17 . A . 5559 1 18 . C . 5559 1 19 . U . 5559 1 20 . G . 5559 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 5559 1 . A 2 2 5559 1 . C 3 3 5559 1 . A 4 4 5559 1 . G 5 5 5559 1 . U 6 6 5559 1 . C 7 7 5559 1 . U 8 8 5559 1 . C 9 9 5559 1 . U 10 10 5559 1 . A 11 11 5559 1 . C 12 12 5559 1 . G 13 13 5559 1 . G 14 14 5559 1 . A 15 15 5559 1 . G 16 16 5559 1 . A 17 17 5559 1 . C 18 18 5559 1 . U 19 19 5559 1 . G 20 20 5559 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 5559 _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 $3_SL . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5559 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 5559 _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 $3_SL . 'enzymatic semisynthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5559 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5559 _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 'single chain of RNA' . . . 1 $3_SL . . 1 . . mM . . . . 5559 1 2 'sodium phosphate' . . . . . . . 10 . . mM . . . . 5559 1 3 NaCl . . . . . . . 50 . . mM . . . . 5559 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5559 _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' 60 . mM 5559 1 pH 6.4 0.1 n/a 5559 1 pressure 1 . atm 5559 1 temperature 303 0.5 K 5559 1 stop_ save_ save_sample_cond_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_2 _Sample_condition_list.Entry_ID 5559 _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' 60 . mM 5559 2 pH 6.4 0.1 n/a 5559 2 pressure 1 . atm 5559 2 temperature 293 0.5 K 5559 2 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 5559 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1 _Software.Details 'Varian Associates, Inc.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 5559 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5559 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.1 _Software.Details Delaglio loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5559 2 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 5559 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.0 _Software.Details 'Goddard & Kneller' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5559 3 stop_ save_ save_MARDIGRAS _Software.Sf_category software _Software.Sf_framecode MARDIGRAS _Software.Entry_ID 5559 _Software.ID 4 _Software.Name MARDIGRAS _Software.Version 3.2 _Software.Details 'Borgias et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'iterative matrix relaxation' 5559 4 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 5559 _Software.ID 5 _Software.Name DYANA _Software.Version 1.5 _Software.Details Guentert loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 5559 5 stop_ save_ save_miniCarlo _Software.Sf_category software _Software.Sf_framecode miniCarlo _Software.Entry_ID 5559 _Software.ID 6 _Software.Name miniCarlo _Software.Version n/a _Software.Details 'Ulyanov et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 5559 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5559 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5559 _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 Varian INOVA . 600 . . . 5559 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 5559 _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 NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5559 1 2 '2D SS-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5559 1 3 '2D DQF-COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5559 1 4 '2D TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5559 1 5 'natural abundance 13C-HMQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5559 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5559 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5559 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D SS-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5559 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D DQF-COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5559 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5559 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 'natural abundance 13C-HMQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 5559 _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 0.00 internal indirect 0.2514495 internal cylindrical parallel . . . . . . 5559 1 H 1 TSP 'methyl protons' . . . . ppm 0.00 internal direct 1.0 internal cylindrical parallel . . . . . . 5559 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5559 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5559 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 5.700 0.005 . 1 . . . . . . . . 5559 1 2 . 1 1 1 1 G H2' H 1 4.738 0.002 . 1 . . . . . . . . 5559 1 3 . 1 1 1 1 G H8 H 1 8.007 0.013 . 1 . . . . . . . . 5559 1 4 . 1 1 2 2 A C1' C 13 90.952 0.1 . 1 . . . . . . . . 5559 1 5 . 1 1 2 2 A C2 C 13 155.208 0.1 . 1 . . . . . . . . 5559 1 6 . 1 1 2 2 A H1' H 1 5.985 0.010 . 1 . . . . . . . . 5559 1 7 . 1 1 2 2 A H2 H 1 8.014 0.005 . 1 . . . . . . . . 5559 1 8 . 1 1 2 2 A H2' H 1 4.776 0.009 . 1 . . . . . . . . 5559 1 9 . 1 1 2 2 A H8 H 1 8.259 0.010 . 1 . . . . . . . . 5559 1 10 . 1 1 3 3 C C1' C 13 93.152 0.1 . 1 . . . . . . . . 5559 1 11 . 1 1 3 3 C C5 C 13 98.527 0.1 . 1 . . . . . . . . 5559 1 12 . 1 1 3 3 C H1' H 1 5.412 0.011 . 1 . . . . . . . . 5559 1 13 . 1 1 3 3 C H2' H 1 4.523 0.004 . 1 . . . . . . . . 5559 1 14 . 1 1 3 3 C H5 H 1 5.699 0.014 . 1 . . . . . . . . 5559 1 15 . 1 1 3 3 C H6 H 1 7.791 0.011 . 1 . . . . . . . . 5559 1 16 . 1 1 4 4 A C1' C 13 92.733 0.1 . 1 . . . . . . . . 5559 1 17 . 1 1 4 4 A C2 C 13 152.827 0.1 . 1 . . . . . . . . 5559 1 18 . 1 1 4 4 A H1' H 1 5.969 0.002 . 1 . . . . . . . . 5559 1 19 . 1 1 4 4 A H2 H 1 7.293 0.003 . 1 . . . . . . . . 5559 1 20 . 1 1 4 4 A H2' H 1 4.766 0.002 . 1 . . . . . . . . 5559 1 21 . 1 1 4 4 A H5' H 1 4.274 0.002 . 1 . . . . . . . . 5559 1 22 . 1 1 4 4 A H8 H 1 8.143 0.004 . 1 . . . . . . . . 5559 1 23 . 1 1 5 5 G C1' C 13 92.870 0.1 . 1 . . . . . . . . 5559 1 24 . 1 1 5 5 G C2' C 13 75.441 0.1 . 1 . . . . . . . . 5559 1 25 . 1 1 5 5 G C8 C 13 136.063 0.1 . 1 . . . . . . . . 5559 1 26 . 1 1 5 5 G H1' H 1 5.632 0.001 . 1 . . . . . . . . 5559 1 27 . 1 1 5 5 G H2' H 1 4.416 0.002 . 1 . . . . . . . . 5559 1 28 . 1 1 5 5 G H3' H 1 4.499 0.004 . 1 . . . . . . . . 5559 1 29 . 1 1 5 5 G H4' H 1 4.565 0.003 . 1 . . . . . . . . 5559 1 30 . 1 1 5 5 G H5'' H 1 4.452 0.002 . 1 . . . . . . . . 5559 1 31 . 1 1 5 5 G H5' H 1 4.130 0.001 . 1 . . . . . . . . 5559 1 32 . 1 1 5 5 G H8 H 1 7.278 0.001 . 1 . . . . . . . . 5559 1 33 . 1 1 6 6 U C2' C 13 75.468 0.1 . 1 . . . . . . . . 5559 1 34 . 1 1 6 6 U C5 C 13 102.709 0.1 . 1 . . . . . . . . 5559 1 35 . 1 1 6 6 U H1' H 1 5.586 0.001 . 1 . . . . . . . . 5559 1 36 . 1 1 6 6 U H2' H 1 4.524 0.002 . 1 . . . . . . . . 5559 1 37 . 1 1 6 6 U H5 H 1 5.078 0.003 . 1 . . . . . . . . 5559 1 38 . 1 1 6 6 U H5' H 1 4.110 0.003 . 1 . . . . . . . . 5559 1 39 . 1 1 6 6 U H6 H 1 7.763 0.004 . 1 . . . . . . . . 5559 1 40 . 1 1 7 7 C C1' C 13 94.218 0.1 . 1 . . . . . . . . 5559 1 41 . 1 1 7 7 C C2' C 13 75.649 0.1 . 1 . . . . . . . . 5559 1 42 . 1 1 7 7 C C5 C 13 97.841 0.1 . 1 . . . . . . . . 5559 1 43 . 1 1 7 7 C H1' H 1 5.620 0.001 . 1 . . . . . . . . 5559 1 44 . 1 1 7 7 C H2' H 1 4.366 0.002 . 1 . . . . . . . . 5559 1 45 . 1 1 7 7 C H3' H 1 4.485 0.003 . 1 . . . . . . . . 5559 1 46 . 1 1 7 7 C H5 H 1 5.694 0.002 . 1 . . . . . . . . 5559 1 47 . 1 1 7 7 C H5' H 1 4.130 0.001 . 1 . . . . . . . . 5559 1 48 . 1 1 7 7 C H6 H 1 7.893 0.003 . 1 . . . . . . . . 5559 1 49 . 1 1 8 8 U C1' C 13 93.794 0.1 . 1 . . . . . . . . 5559 1 50 . 1 1 8 8 U C2' C 13 75.334 0.1 . 1 . . . . . . . . 5559 1 51 . 1 1 8 8 U C5 C 13 103.412 0.1 . 1 . . . . . . . . 5559 1 52 . 1 1 8 8 U C6 C 13 142.374 0.1 . 1 . . . . . . . . 5559 1 53 . 1 1 8 8 U H1' H 1 5.543 0.001 . 1 . . . . . . . . 5559 1 54 . 1 1 8 8 U H2' H 1 4.550 0.002 . 1 . . . . . . . . 5559 1 55 . 1 1 8 8 U H5 H 1 5.431 0.002 . 1 . . . . . . . . 5559 1 56 . 1 1 8 8 U H5'' H 1 4.602 0.005 . 1 . . . . . . . . 5559 1 57 . 1 1 8 8 U H5' H 1 4.124 0.003 . 1 . . . . . . . . 5559 1 58 . 1 1 8 8 U H6 H 1 7.940 0.003 . 1 . . . . . . . . 5559 1 59 . 1 1 9 9 C C1' C 13 94.002 0.1 . 1 . . . . . . . . 5559 1 60 . 1 1 9 9 C C2' C 13 75.634 0.1 . 1 . . . . . . . . 5559 1 61 . 1 1 9 9 C C3' C 13 72.089 0.1 . 1 . . . . . . . . 5559 1 62 . 1 1 9 9 C C5 C 13 97.573 0.1 . 1 . . . . . . . . 5559 1 63 . 1 1 9 9 C H1' H 1 5.560 0.003 . 1 . . . . . . . . 5559 1 64 . 1 1 9 9 C H2' H 1 4.453 0.002 . 1 . . . . . . . . 5559 1 65 . 1 1 9 9 C H3' H 1 4.328 0.004 . 1 . . . . . . . . 5559 1 66 . 1 1 9 9 C H5 H 1 5.636 0.002 . 1 . . . . . . . . 5559 1 67 . 1 1 9 9 C H6 H 1 7.776 0.003 . 1 . . . . . . . . 5559 1 68 . 1 1 10 10 U C1' C 13 94.443 0.1 . 1 . . . . . . . . 5559 1 69 . 1 1 10 10 U C2' C 13 76.032 0.1 . 1 . . . . . . . . 5559 1 70 . 1 1 10 10 U C5 C 13 105.102 0.1 . 1 . . . . . . . . 5559 1 71 . 1 1 10 10 U H1' H 1 5.555 0.001 . 1 . . . . . . . . 5559 1 72 . 1 1 10 10 U H2' H 1 3.811 0.001 . 1 . . . . . . . . 5559 1 73 . 1 1 10 10 U H3' H 1 4.597 0.004 . 1 . . . . . . . . 5559 1 74 . 1 1 10 10 U H4' H 1 4.555 0.002 . 1 . . . . . . . . 5559 1 75 . 1 1 10 10 U H5 H 1 5.757 0.002 . 1 . . . . . . . . 5559 1 76 . 1 1 10 10 U H5'' H 1 4.545 0.001 . 1 . . . . . . . . 5559 1 77 . 1 1 10 10 U H5' H 1 4.139 0.005 . 1 . . . . . . . . 5559 1 78 . 1 1 10 10 U H6 H 1 7.790 0.001 . 1 . . . . . . . . 5559 1 79 . 1 1 11 11 A C1' C 13 88.350 0.1 . 1 . . . . . . . . 5559 1 80 . 1 1 11 11 A C2 C 13 155.829 0.1 . 1 . . . . . . . . 5559 1 81 . 1 1 11 11 A C2' C 13 75.542 0.1 . 1 . . . . . . . . 5559 1 82 . 1 1 11 11 A C3' C 13 78.227 0.1 . 1 . . . . . . . . 5559 1 83 . 1 1 11 11 A C4' C 13 87.418 0.1 . 1 . . . . . . . . 5559 1 84 . 1 1 11 11 A C8 C 13 143.175 0.1 . 1 . . . . . . . . 5559 1 85 . 1 1 11 11 A H1' H 1 6.143 0.003 . 1 . . . . . . . . 5559 1 86 . 1 1 11 11 A H2 H 1 8.300 0.003 . 1 . . . . . . . . 5559 1 87 . 1 1 11 11 A H2' H 1 5.118 0.002 . 1 . . . . . . . . 5559 1 88 . 1 1 11 11 A H3' H 1 4.143 0.002 . 1 . . . . . . . . 5559 1 89 . 1 1 11 11 A H4' H 1 4.590 0.002 . 1 . . . . . . . . 5559 1 90 . 1 1 11 11 A H5'' H 1 4.074 0.002 . 1 . . . . . . . . 5559 1 91 . 1 1 11 11 A H5' H 1 4.210 0.003 . 1 . . . . . . . . 5559 1 92 . 1 1 11 11 A H8 H 1 8.779 0.002 . 1 . . . . . . . . 5559 1 93 . 1 1 12 12 C C1' C 13 89.173 0.1 . 1 . . . . . . . . 5559 1 94 . 1 1 12 12 C C2' C 13 77.612 0.1 . 1 . . . . . . . . 5559 1 95 . 1 1 12 12 C C3' C 13 80.220 0.1 . 1 . . . . . . . . 5559 1 96 . 1 1 12 12 C C4' C 13 84.548 0.1 . 1 . . . . . . . . 5559 1 97 . 1 1 12 12 C C5 C 13 98.736 0.1 . 1 . . . . . . . . 5559 1 98 . 1 1 12 12 C C5' C 13 67.486 0.1 . 1 . . . . . . . . 5559 1 99 . 1 1 12 12 C C6 C 13 142.927 0.1 . 1 . . . . . . . . 5559 1 100 . 1 1 12 12 C H1' H 1 5.966 0.002 . 1 . . . . . . . . 5559 1 101 . 1 1 12 12 C H2' H 1 4.126 0.003 . 1 . . . . . . . . 5559 1 102 . 1 1 12 12 C H3' H 1 4.515 0.002 . 1 . . . . . . . . 5559 1 103 . 1 1 12 12 C H4' H 1 3.817 0.002 . 1 . . . . . . . . 5559 1 104 . 1 1 12 12 C H5 H 1 6.180 0.001 . 1 . . . . . . . . 5559 1 105 . 1 1 12 12 C H5'' H 1 3.650 0.002 . 1 . . . . . . . . 5559 1 106 . 1 1 12 12 C H5' H 1 2.787 0.002 . 1 . . . . . . . . 5559 1 107 . 1 1 12 12 C H6 H 1 7.709 0.002 . 1 . . . . . . . . 5559 1 108 . 1 1 13 13 G C1' C 13 94.540 0.1 . 1 . . . . . . . . 5559 1 109 . 1 1 13 13 G C2' C 13 77.339 0.1 . 1 . . . . . . . . 5559 1 110 . 1 1 13 13 G C3' C 13 75.993 0.1 . 1 . . . . . . . . 5559 1 111 . 1 1 13 13 G C5' C 13 69.057 0.1 . 1 . . . . . . . . 5559 1 112 . 1 1 13 13 G H1' H 1 5.960 0.002 . 1 . . . . . . . . 5559 1 113 . 1 1 13 13 G H2' H 1 4.838 0.002 . 1 . . . . . . . . 5559 1 114 . 1 1 13 13 G H3' H 1 5.633 0.001 . 1 . . . . . . . . 5559 1 115 . 1 1 13 13 G H4' H 1 4.421 0.002 . 1 . . . . . . . . 5559 1 116 . 1 1 13 13 G H5'' H 1 4.422 0.002 . 1 . . . . . . . . 5559 1 117 . 1 1 13 13 G H5' H 1 4.209 0.002 . 1 . . . . . . . . 5559 1 118 . 1 1 13 13 G H8 H 1 7.828 0.001 . 1 . . . . . . . . 5559 1 119 . 1 1 14 14 G C1' C 13 93.152 0.1 . 1 . . . . . . . . 5559 1 120 . 1 1 14 14 G C2' C 13 75.204 0.1 . 1 . . . . . . . . 5559 1 121 . 1 1 14 14 G C3' C 13 74.686 0.1 . 1 . . . . . . . . 5559 1 122 . 1 1 14 14 G C5' C 13 69.751 0.1 . 1 . . . . . . . . 5559 1 123 . 1 1 14 14 G H1' H 1 4.437 0.004 . 1 . . . . . . . . 5559 1 124 . 1 1 14 14 G H2' H 1 4.533 0.002 . 1 . . . . . . . . 5559 1 125 . 1 1 14 14 G H3' H 1 4.353 0.004 . 1 . . . . . . . . 5559 1 126 . 1 1 14 14 G H4' H 1 4.414 0.010 . 1 . . . . . . . . 5559 1 127 . 1 1 14 14 G H5'' H 1 4.537 0.001 . 1 . . . . . . . . 5559 1 128 . 1 1 14 14 G H5' H 1 4.307 0.001 . 1 . . . . . . . . 5559 1 129 . 1 1 14 14 G H8 H 1 8.298 0.002 . 1 . . . . . . . . 5559 1 130 . 1 1 15 15 A C1' C 13 93.041 0.1 . 1 . . . . . . . . 5559 1 131 . 1 1 15 15 A C2 C 13 153.414 0.1 . 1 . . . . . . . . 5559 1 132 . 1 1 15 15 A C2' C 13 75.818 0.1 . 1 . . . . . . . . 5559 1 133 . 1 1 15 15 A H1' H 1 5.985 0.003 . 1 . . . . . . . . 5559 1 134 . 1 1 15 15 A H2 H 1 7.469 0.002 . 1 . . . . . . . . 5559 1 135 . 1 1 15 15 A H2' H 1 4.714 0.003 . 1 . . . . . . . . 5559 1 136 . 1 1 15 15 A H3' H 1 4.686 0.004 . 1 . . . . . . . . 5559 1 137 . 1 1 15 15 A H8 H 1 7.761 0.001 . 1 . . . . . . . . 5559 1 138 . 1 1 16 16 G C1' C 13 92.789 0.1 . 1 . . . . . . . . 5559 1 139 . 1 1 16 16 G C2' C 13 75.566 0.1 . 1 . . . . . . . . 5559 1 140 . 1 1 16 16 G C5' C 13 66.117 0.1 . 1 . . . . . . . . 5559 1 141 . 1 1 16 16 G C8 C 13 135.999 0.1 . 1 . . . . . . . . 5559 1 142 . 1 1 16 16 G H1' H 1 5.614 0.002 . 1 . . . . . . . . 5559 1 143 . 1 1 16 16 G H2' H 1 4.554 0.001 . 1 . . . . . . . . 5559 1 144 . 1 1 16 16 G H5'' H 1 4.461 0.001 . 1 . . . . . . . . 5559 1 145 . 1 1 16 16 G H5' H 1 4.079 0.001 . 1 . . . . . . . . 5559 1 146 . 1 1 16 16 G H8 H 1 7.117 0.003 . 1 . . . . . . . . 5559 1 147 . 1 1 17 17 A C1' C 13 93.041 0.1 . 1 . . . . . . . . 5559 1 148 . 1 1 17 17 A C2 C 13 154.212 0.1 . 1 . . . . . . . . 5559 1 149 . 1 1 17 17 A C2' C 13 75.674 0.1 . 1 . . . . . . . . 5559 1 150 . 1 1 17 17 A H1' H 1 5.985 0.003 . 1 . . . . . . . . 5559 1 151 . 1 1 17 17 A H2 H 1 7.838 0.002 . 1 . . . . . . . . 5559 1 152 . 1 1 17 17 A H2' H 1 4.614 0.002 . 1 . . . . . . . . 5559 1 153 . 1 1 17 17 A H5' H 1 4.141 0.001 . 1 . . . . . . . . 5559 1 154 . 1 1 17 17 A H8 H 1 7.800 0.002 . 1 . . . . . . . . 5559 1 155 . 1 1 18 18 C C1' C 13 94.073 0.1 . 1 . . . . . . . . 5559 1 156 . 1 1 18 18 C C2' C 13 75.656 0.1 . 1 . . . . . . . . 5559 1 157 . 1 1 18 18 C C3' C 13 72.611 0.1 . 1 . . . . . . . . 5559 1 158 . 1 1 18 18 C C5 C 13 97.454 0.1 . 1 . . . . . . . . 5559 1 159 . 1 1 18 18 C C5' C 13 65.013 0.1 . 1 . . . . . . . . 5559 1 160 . 1 1 18 18 C H1' H 1 5.392 0.002 . 1 . . . . . . . . 5559 1 161 . 1 1 18 18 C H2' H 1 4.284 0.002 . 1 . . . . . . . . 5559 1 162 . 1 1 18 18 C H3' H 1 4.337 0.003 . 1 . . . . . . . . 5559 1 163 . 1 1 18 18 C H4' H 1 4.427 0.003 . 1 . . . . . . . . 5559 1 164 . 1 1 18 18 C H5 H 1 5.244 0.002 . 1 . . . . . . . . 5559 1 165 . 1 1 18 18 C H5'' H 1 4.506 0.004 . 1 . . . . . . . . 5559 1 166 . 1 1 18 18 C H5' H 1 4.059 0.002 . 1 . . . . . . . . 5559 1 167 . 1 1 18 18 C H6 H 1 7.431 0.003 . 1 . . . . . . . . 5559 1 168 . 1 1 19 19 U C2' C 13 75.505 0.1 . 1 . . . . . . . . 5559 1 169 . 1 1 19 19 U C5 C 13 103.965 0.1 . 1 . . . . . . . . 5559 1 170 . 1 1 19 19 U H1' H 1 5.586 0.001 . 1 . . . . . . . . 5559 1 171 . 1 1 19 19 U H2' H 1 4.388 0.003 . 1 . . . . . . . . 5559 1 172 . 1 1 19 19 U H5 H 1 5.390 0.002 . 1 . . . . . . . . 5559 1 173 . 1 1 19 19 U H6 H 1 7.801 0.001 . 1 . . . . . . . . 5559 1 174 . 1 1 20 20 G C1' C 13 90.882 0.1 . 1 . . . . . . . . 5559 1 175 . 1 1 20 20 G C2' C 13 78.050 0.1 . 1 . . . . . . . . 5559 1 176 . 1 1 20 20 G C3' C 13 71.047 0.1 . 1 . . . . . . . . 5559 1 177 . 1 1 20 20 G C4' C 13 84.474 0.1 . 1 . . . . . . . . 5559 1 178 . 1 1 20 20 G H1' H 1 5.918 0.002 . 1 . . . . . . . . 5559 1 179 . 1 1 20 20 G H2' H 1 4.211 0.003 . 1 . . . . . . . . 5559 1 180 . 1 1 20 20 G H3' H 1 4.397 0.005 . 1 . . . . . . . . 5559 1 181 . 1 1 20 20 G H4' H 1 4.301 0.002 . 1 . . . . . . . . 5559 1 182 . 1 1 20 20 G H5'' H 1 4.482 0.010 . 1 . . . . . . . . 5559 1 183 . 1 1 20 20 G H5' H 1 4.106 0.002 . 1 . . . . . . . . 5559 1 184 . 1 1 20 20 G H8 H 1 7.784 0.003 . 1 . . . . . . . . 5559 1 stop_ save_