data_6062 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6062 _Entry.Title ; Assignments for the Negative Regulator of Splicing from Rous Sarcoma Virus residues 907 to 929 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-01-06 _Entry.Accession_date 2004-01-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Javier Cabello-Villegas . . . 6062 2 Keith Guiles . . . 6062 3 Ana Soto . M. . 6062 4 Ping Yu . . . 6062 5 Karen Beemon . L. . 6062 6 Yun-Xing Wang . . . 6062 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6062 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 153 6062 '15N chemical shifts' 15 6062 '31P chemical shifts' 17 6062 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 . . 2015-03-18 2004-01-06 update author "update C5' assignments" 6062 1 . . 2004-10-29 2004-01-06 original author 'original release' 6062 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1S2F 'BMRB Entry Tracking System' 6062 PDB 1S34 'BMRB Entry Tracking System' 6062 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6062 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15317975 _Citation.Full_citation . _Citation.Title ; Solution structure of the pseudo-5' splice site of a retroviral splicing suppressor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev RNA _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1388 _Citation.Page_last 1398 _Citation.Year 2004 _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 Javier Cabello-Villegas . . . 6062 1 2 Keith Giles . E. . 6062 1 3 Ana Soto . M. . 6062 1 4 Ping Yu . . . 6062 1 5 A. Mougin . . . 6062 1 6 Karen Beemon . L. . 6062 1 7 Yun-Xing Wang . . . 6062 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR structrue' 6062 1 NRS 6062 1 'U1 snRNP binding site' 6062 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_NRS _Assembly.Sf_category assembly _Assembly.Sf_framecode system_NRS _Assembly.Entry_ID 6062 _Assembly.ID 1 _Assembly.Name NRS23 _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 6062 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 NRS23 1 $NRS23 . . yes native . . . . . 6062 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 yes EMBL V01197 . . . . . 'Residues 907 to 929 only' 6062 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID NRS abbreviation 6062 1 NRS23 system 6062 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID "pseudo-5' splice site part of a splicing suppressor of Rous Sarcoma virus" 6062 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NRS23 _Entity.Sf_category entity _Entity.Sf_framecode NRS23 _Entity.Entry_ID 6062 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RNA stem-loop' _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 ; GGGGAGUGGUUUGUAUCCUU CCC ; _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 23 _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 NRS23 abbreviation 6062 1 'RNA stem-loop' common 6062 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 1 907 G . 6062 1 2 908 G . 6062 1 3 909 G . 6062 1 4 910 G . 6062 1 5 911 A . 6062 1 6 912 G . 6062 1 7 913 U . 6062 1 8 914 G . 6062 1 9 915 G . 6062 1 10 916 U . 6062 1 11 917 U . 6062 1 12 918 U . 6062 1 13 919 G . 6062 1 14 920 U . 6062 1 15 921 A . 6062 1 16 922 U . 6062 1 17 923 C . 6062 1 18 924 C . 6062 1 19 925 U . 6062 1 20 926 U . 6062 1 21 927 C . 6062 1 22 928 C . 6062 1 23 929 C . 6062 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 6062 1 . G 2 2 6062 1 . G 3 3 6062 1 . G 4 4 6062 1 . A 5 5 6062 1 . G 6 6 6062 1 . U 7 7 6062 1 . G 8 8 6062 1 . G 9 9 6062 1 . U 10 10 6062 1 . U 11 11 6062 1 . U 12 12 6062 1 . G 13 13 6062 1 . U 14 14 6062 1 . A 15 15 6062 1 . U 16 16 6062 1 . C 17 17 6062 1 . C 18 18 6062 1 . U 19 19 6062 1 . U 20 20 6062 1 . C 21 21 6062 1 . C 22 22 6062 1 . C 23 23 6062 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 6062 _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 $NRS23 . 11886 . . 'alpharetrovirus Rous sarcoma virus' 'Rous sarcoma virus' . . Viruses . alpharetrovirus 'Rous sarcoma virus' . . . . . . . . . . . . . . . . . . 'The family is Retroviridae' . . 6062 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 6062 _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 $NRS23 . 'enzymatic semisynthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . 'In vitro transcription' . . 6062 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Sample.Sf_category sample _Sample.Sf_framecode Sample_1 _Sample.Entry_ID 6062 _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 'RNA stem-loop' '[U-13C; U-15N]' . . 1 $NRS23 . . 1.2 . . mM . . . . 6062 1 2 'sodium phosphate buffer' . . . . . . . 10 . . mM . . . . 6062 1 3 NaCl . . . . . . . 25 . . mM . . . . 6062 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 6062 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.2 n/a 6062 1 temperature 298 1 K 6062 1 stop_ save_ ############################ # Computer software used # ############################ save_nmrDraw _Software.Sf_category software _Software.Sf_framecode nmrDraw _Software.Entry_ID 6062 _Software.ID 1 _Software.Name NMRDraw _Software.Version . _Software.Details ; F. Delaglio, S. Grzesiek, G. Vuister, G. Zhu, J. Pfeifer,and A. Bax. J. Biomol. NMR, 6 (1995) 277-293. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectra analysis' 6062 1 stop_ save_ save_nmrView _Software.Sf_category software _Software.Sf_framecode nmrView _Software.Entry_ID 6062 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details ; Johnson, B.A. and Blevins, R.A. NMR View- a computer program for the visualization and analysis of NMR data. J. Biomol. NMR 4 (1994): 603-614. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectra analysis' 6062 2 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 6062 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details ; F. Delaglio, S. Grzesiek, G. Vuister, G. Zhu, J. Pfeifer,and A. Bax. J. Biomol. NMR, 6 (1995) 277-293. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectra processing' 6062 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6062 _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_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6062 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 6062 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 6062 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6062 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian INOVA . 800 . . . 6062 1 2 NMR_spectrometer_2 Varian INOVA . 600 . . . 6062 1 3 NMR_spectrometer_3 Varian INOVA . 500 . . . 6062 1 4 NMR_spectrometer_4 Bruker DRX . 500 . . . 6062 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 6062 _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 '1H-13C NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6062 1 2 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6062 1 3 '15N/1H HMQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6062 1 4 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6062 1 5 HCCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6062 1 6 HNCCCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6062 1 7 HCP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6062 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6062 _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 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6062 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6062 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6062 1 P 31 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.404808636 . . . . . . . . . 6062 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 6062 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_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 ; The chemical shifts of the exchangeable protons and their attached nitrogens were measured at 15 deg C. ; _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 . 6062 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 H8 H 1 8.140 0.01 . 1 . . . . . . . . 6062 1 2 . 1 1 1 1 G C8 C 13 139.166 0.01 . 1 . . . . . . . . 6062 1 3 . 1 1 1 1 G H1' H 1 5.841 0.01 . 1 . . . . . . . . 6062 1 4 . 1 1 1 1 G H2' H 1 4.921 0.01 . 1 . . . . . . . . 6062 1 5 . 1 1 1 1 G H3' H 1 4.728 0.01 . 9 . . . . . . . . 6062 1 6 . 1 1 1 1 G H4' H 1 4.569 0.01 . 1 . . . . . . . . 6062 1 7 . 1 1 1 1 G H5' H 1 4.456 0.01 . 2 . . . . . . . . 6062 1 8 . 1 1 1 1 G H5'' H 1 4.284 0.01 . 2 . . . . . . . . 6062 1 9 . 1 1 1 1 G C1' C 13 91.685 0.01 . 1 . . . . . . . . 6062 1 10 . 1 1 1 1 G C2' C 13 75.143 0.01 . 1 . . . . . . . . 6062 1 11 . 1 1 1 1 G C3' C 13 74.562 0.01 . 9 . . . . . . . . 6062 1 12 . 1 1 1 1 G C4' C 13 83.365 0.01 . 1 . . . . . . . . 6062 1 13 . 1 1 1 1 G C5' C 13 67.089 0.01 . 1 . . . . . . . . 6062 1 14 . 1 1 2 2 G H1 H 1 12.783 0.01 . 1 . . . . . . . . 6062 1 15 . 1 1 2 2 G H8 H 1 7.576 0.01 . 1 . . . . . . . . 6062 1 16 . 1 1 2 2 G C8 C 13 136.915 0.01 . 1 . . . . . . . . 6062 1 17 . 1 1 2 2 G N1 N 15 147.587 0.01 . 1 . . . . . . . . 6062 1 18 . 1 1 2 2 G H1' H 1 5.951 0.01 . 1 . . . . . . . . 6062 1 19 . 1 1 2 2 G H2' H 1 4.693 0.01 . 1 . . . . . . . . 6062 1 20 . 1 1 2 2 G H3' H 1 4.618 0.01 . 1 . . . . . . . . 6062 1 21 . 1 1 2 2 G H4' H 1 4.564 0.01 . 1 . . . . . . . . 6062 1 22 . 1 1 2 2 G H5' H 1 4.276 0.01 . 2 . . . . . . . . 6062 1 23 . 1 1 2 2 G H5'' H 1 4.527 0.01 . 2 . . . . . . . . 6062 1 24 . 1 1 2 2 G C1' C 13 92.798 0.01 . 1 . . . . . . . . 6062 1 25 . 1 1 2 2 G C2' C 13 75.623 0.01 . 1 . . . . . . . . 6062 1 26 . 1 1 2 2 G C3' C 13 72.925 0.01 . 1 . . . . . . . . 6062 1 27 . 1 1 2 2 G C4' C 13 82.309 0.01 . 1 . . . . . . . . 6062 1 28 . 1 1 2 2 G C5' C 13 65.916 0.01 . 1 . . . . . . . . 6062 1 29 . 1 1 3 3 G H1 H 1 12.531 0.01 . 1 . . . . . . . . 6062 1 30 . 1 1 3 3 G H8 H 1 7.311 0.01 . 1 . . . . . . . . 6062 1 31 . 1 1 3 3 G C8 C 13 136.213 0.01 . 1 . . . . . . . . 6062 1 32 . 1 1 3 3 G N1 N 15 147.927 0.01 . 1 . . . . . . . . 6062 1 33 . 1 1 3 3 G H1' H 1 5.860 0.01 . 1 . . . . . . . . 6062 1 34 . 1 1 3 3 G H2' H 1 4.605 0.01 . 1 . . . . . . . . 6062 1 35 . 1 1 3 3 G H3' H 1 4.525 0.01 . 1 . . . . . . . . 6062 1 36 . 1 1 3 3 G H4' H 1 4.489 0.01 . 1 . . . . . . . . 6062 1 37 . 1 1 3 3 G H5' H 1 4.536 0.01 . 2 . . . . . . . . 6062 1 38 . 1 1 3 3 G H5'' H 1 4.123 0.01 . 2 . . . . . . . . 6062 1 39 . 1 1 3 3 G C1' C 13 92.595 0.01 . 1 . . . . . . . . 6062 1 40 . 1 1 3 3 G C2' C 13 76.092 0.01 . 1 . . . . . . . . 6062 1 41 . 1 1 3 3 G C3' C 13 73.004 0.01 . 1 . . . . . . . . 6062 1 42 . 1 1 3 3 G C4' C 13 81.901 0.01 . 1 . . . . . . . . 6062 1 43 . 1 1 3 3 G C5' C 13 65.182 0.01 . 1 . . . . . . . . 6062 1 44 . 1 1 4 4 G H1 H 1 10.474 0.01 . 1 . . . . . . . . 6062 1 45 . 1 1 4 4 G H21 H 1 6.252 0.01 . 9 . . . . . . . . 6062 1 46 . 1 1 4 4 G H22 H 1 6.252 0.01 . 9 . . . . . . . . 6062 1 47 . 1 1 4 4 G H8 H 1 7.128 0.01 . 1 . . . . . . . . 6062 1 48 . 1 1 4 4 G C8 C 13 136.853 0.01 . 1 . . . . . . . . 6062 1 49 . 1 1 4 4 G N1 N 15 142.916 0.01 . 1 . . . . . . . . 6062 1 50 . 1 1 4 4 G N2 N 15 73.265 0.01 . 9 . . . . . . . . 6062 1 51 . 1 1 4 4 G H1' H 1 5.772 0.01 . 1 . . . . . . . . 6062 1 52 . 1 1 4 4 G H2' H 1 4.838 0.01 . 1 . . . . . . . . 6062 1 53 . 1 1 4 4 G H3' H 1 4.356 0.01 . 1 . . . . . . . . 6062 1 54 . 1 1 4 4 G H4' H 1 4.529 0.01 . 1 . . . . . . . . 6062 1 55 . 1 1 4 4 G H5' H 1 4.380 0.01 . 2 . . . . . . . . 6062 1 56 . 1 1 4 4 G H5'' H 1 4.047 0.01 . 2 . . . . . . . . 6062 1 57 . 1 1 4 4 G C1' C 13 93.533 0.01 . 1 . . . . . . . . 6062 1 58 . 1 1 4 4 G C2' C 13 75.260 0.01 . 1 . . . . . . . . 6062 1 59 . 1 1 4 4 G C3' C 13 73.708 0.01 . 1 . . . . . . . . 6062 1 60 . 1 1 4 4 G C4' C 13 82.426 0.01 . 1 . . . . . . . . 6062 1 61 . 1 1 4 4 G C5' C 13 66.972 0.01 . 1 . . . . . . . . 6062 1 62 . 1 1 4 4 G P P 31 -3.67 0.01 . 1 . . . . . . . . 6062 1 63 . 1 1 5 5 A H2 H 1 7.579 0.01 . 1 . . . . . . . . 6062 1 64 . 1 1 5 5 A H8 H 1 7.591 0.01 . 1 . . . . . . . . 6062 1 65 . 1 1 5 5 A C2 C 13 153.577 0.01 . 1 . . . . . . . . 6062 1 66 . 1 1 5 5 A C8 C 13 139.119 0.01 . 1 . . . . . . . . 6062 1 67 . 1 1 5 5 A H1' H 1 5.923 0.01 . 1 . . . . . . . . 6062 1 68 . 1 1 5 5 A H2' H 1 4.543 0.01 . 1 . . . . . . . . 6062 1 69 . 1 1 5 5 A H3' H 1 4.634 0.01 . 1 . . . . . . . . 6062 1 70 . 1 1 5 5 A H4' H 1 4.500 0.01 . 1 . . . . . . . . 6062 1 71 . 1 1 5 5 A H5' H 1 4.506 0.01 . 2 . . . . . . . . 6062 1 72 . 1 1 5 5 A H5'' H 1 4.131 0.01 . 2 . . . . . . . . 6062 1 73 . 1 1 5 5 A C1' C 13 93.455 0.01 . 1 . . . . . . . . 6062 1 74 . 1 1 5 5 A C2' C 13 75.556 0.01 . 1 . . . . . . . . 6062 1 75 . 1 1 5 5 A C3' C 13 72.690 0.01 . 1 . . . . . . . . 6062 1 76 . 1 1 5 5 A C4' C 13 82.339 0.01 . 1 . . . . . . . . 6062 1 77 . 1 1 5 5 A C5' C 13 64.896 0.01 . 1 . . . . . . . . 6062 1 78 . 1 1 5 5 A P P 31 -3.93 0.01 . 1 . . . . . . . . 6062 1 79 . 1 1 6 6 G H1 H 1 13.014 0.01 . 1 . . . . . . . . 6062 1 80 . 1 1 6 6 G H8 H 1 7.342 0.01 . 1 . . . . . . . . 6062 1 81 . 1 1 6 6 G C8 C 13 136.882 0.01 . 1 . . . . . . . . 6062 1 82 . 1 1 6 6 G N1 N 15 147.980 0.01 . 1 . . . . . . . . 6062 1 83 . 1 1 6 6 G H1' H 1 5.793 0.01 . 1 . . . . . . . . 6062 1 84 . 1 1 6 6 G H2' H 1 4.323 0.01 . 1 . . . . . . . . 6062 1 85 . 1 1 6 6 G H3' H 1 4.677 0.01 . 1 . . . . . . . . 6062 1 86 . 1 1 6 6 G H4' H 1 4.482 0.01 . 1 . . . . . . . . 6062 1 87 . 1 1 6 6 G H5' H 1 4.536 0.01 . 2 . . . . . . . . 6062 1 88 . 1 1 6 6 G H5'' H 1 4.147 0.01 . 2 . . . . . . . . 6062 1 89 . 1 1 6 6 G C1' C 13 90.800 0.01 . 1 . . . . . . . . 6062 1 90 . 1 1 6 6 G C2' C 13 77.734 0.01 . 1 . . . . . . . . 6062 1 91 . 1 1 6 6 G C3' C 13 75.506 0.01 . 1 . . . . . . . . 6062 1 92 . 1 1 6 6 G C4' C 13 84.186 0.01 . 1 . . . . . . . . 6062 1 93 . 1 1 6 6 G C5' C 13 66.066 0.01 . 1 . . . . . . . . 6062 1 94 . 1 1 6 6 G P P 31 -4.02 0.01 . 1 . . . . . . . . 6062 1 95 . 1 1 7 7 U H5 H 1 5.820 0.01 . 1 . . . . . . . . 6062 1 96 . 1 1 7 7 U H6 H 1 7.856 0.01 . 1 . . . . . . . . 6062 1 97 . 1 1 7 7 U C5 C 13 104.943 0.01 . 1 . . . . . . . . 6062 1 98 . 1 1 7 7 U C6 C 13 143.730 0.01 . 1 . . . . . . . . 6062 1 99 . 1 1 7 7 U H1' H 1 5.911 0.01 . 1 . . . . . . . . 6062 1 100 . 1 1 7 7 U H2' H 1 4.364 0.01 . 1 . . . . . . . . 6062 1 101 . 1 1 7 7 U H3' H 1 4.708 0.01 . 1 . . . . . . . . 6062 1 102 . 1 1 7 7 U H4' H 1 4.441 0.01 . 1 . . . . . . . . 6062 1 103 . 1 1 7 7 U H5' H 1 4.288 0.01 . 2 . . . . . . . . 6062 1 104 . 1 1 7 7 U H5'' H 1 4.154 0.01 . 2 . . . . . . . . 6062 1 105 . 1 1 7 7 U C1' C 13 91.518 0.01 . 1 . . . . . . . . 6062 1 106 . 1 1 7 7 U C2' C 13 75.740 0.01 . 1 . . . . . . . . 6062 1 107 . 1 1 7 7 U C3' C 13 75.362 0.01 . 1 . . . . . . . . 6062 1 108 . 1 1 7 7 U C4' C 13 84.538 0.01 . 1 . . . . . . . . 6062 1 109 . 1 1 7 7 U C5' C 13 66.841 0.01 . 1 . . . . . . . . 6062 1 110 . 1 1 7 7 U P P 31 -4.37 0.01 . 1 . . . . . . . . 6062 1 111 . 1 1 8 8 G H1 H 1 12.678 0.01 . 1 . . . . . . . . 6062 1 112 . 1 1 8 8 G H8 H 1 7.586 0.01 . 1 . . . . . . . . 6062 1 113 . 1 1 8 8 G C8 C 13 137.363 0.01 . 1 . . . . . . . . 6062 1 114 . 1 1 8 8 G N1 N 15 148.490 0.01 . 1 . . . . . . . . 6062 1 115 . 1 1 8 8 G H1' H 1 5.817 0.01 . 1 . . . . . . . . 6062 1 116 . 1 1 8 8 G H2' H 1 4.803 0.01 . 1 . . . . . . . . 6062 1 117 . 1 1 8 8 G H3' H 1 4.432 0.01 . 1 . . . . . . . . 6062 1 118 . 1 1 8 8 G H4' H 1 4.570 0.01 . 1 . . . . . . . . 6062 1 119 . 1 1 8 8 G H5' H 1 4.329 0.01 . 2 . . . . . . . . 6062 1 120 . 1 1 8 8 G H5'' H 1 4.136 0.01 . 2 . . . . . . . . 6062 1 121 . 1 1 8 8 G C1' C 13 92.698 0.01 . 1 . . . . . . . . 6062 1 122 . 1 1 8 8 G C2' C 13 75.148 0.01 . 1 . . . . . . . . 6062 1 123 . 1 1 8 8 G C3' C 13 75.040 0.01 . 1 . . . . . . . . 6062 1 124 . 1 1 8 8 G C4' C 13 83.247 0.01 . 1 . . . . . . . . 6062 1 125 . 1 1 8 8 G C5' C 13 67.910 0.01 . 1 . . . . . . . . 6062 1 126 . 1 1 8 8 G P P 31 -3.98 0.01 . 9 . . . . . . . . 6062 1 127 . 1 1 9 9 G H1 H 1 11.403 0.01 . 1 . . . . . . . . 6062 1 128 . 1 1 9 9 G H21 H 1 6.428 0.01 . 9 . . . . . . . . 6062 1 129 . 1 1 9 9 G H22 H 1 6.428 0.01 . 9 . . . . . . . . 6062 1 130 . 1 1 9 9 G H8 H 1 7.372 0.01 . 1 . . . . . . . . 6062 1 131 . 1 1 9 9 G C8 C 13 137.257 0.01 . 1 . . . . . . . . 6062 1 132 . 1 1 9 9 G N1 N 15 145.313 0.01 . 1 . . . . . . . . 6062 1 133 . 1 1 9 9 G N2 N 15 73.652 0.01 . 9 . . . . . . . . 6062 1 134 . 1 1 9 9 G H1' H 1 5.845 0.01 . 1 . . . . . . . . 6062 1 135 . 1 1 9 9 G H2' H 1 4.607 0.01 . 1 . . . . . . . . 6062 1 136 . 1 1 9 9 G H3' H 1 4.478 0.01 . 1 . . . . . . . . 6062 1 137 . 1 1 9 9 G H4' H 1 4.499 0.01 . 1 . . . . . . . . 6062 1 138 . 1 1 9 9 G H5' H 1 4.447 0.01 . 2 . . . . . . . . 6062 1 139 . 1 1 9 9 G H5'' H 1 4.138 0.01 . 2 . . . . . . . . 6062 1 140 . 1 1 9 9 G C1' C 13 92.928 0.01 . 1 . . . . . . . . 6062 1 141 . 1 1 9 9 G C2' C 13 75.506 0.01 . 1 . . . . . . . . 6062 1 142 . 1 1 9 9 G C3' C 13 73.370 0.01 . 1 . . . . . . . . 6062 1 143 . 1 1 9 9 G C4' C 13 82.778 0.01 . 1 . . . . . . . . 6062 1 144 . 1 1 9 9 G C5' C 13 65.799 0.01 . 1 . . . . . . . . 6062 1 145 . 1 1 9 9 G P P 31 -3.98 0.01 . 1 . . . . . . . . 6062 1 146 . 1 1 10 10 U H5 H 1 5.317 0.01 . 1 . . . . . . . . 6062 1 147 . 1 1 10 10 U H6 H 1 7.585 0.01 . 1 . . . . . . . . 6062 1 148 . 1 1 10 10 U C5 C 13 103.848 0.01 . 1 . . . . . . . . 6062 1 149 . 1 1 10 10 U C6 C 13 141.486 0.01 . 1 . . . . . . . . 6062 1 150 . 1 1 10 10 U H1' H 1 5.777 0.01 . 1 . . . . . . . . 6062 1 151 . 1 1 10 10 U H2' H 1 4.432 0.01 . 1 . . . . . . . . 6062 1 152 . 1 1 10 10 U H3' H 1 4.555 0.01 . 1 . . . . . . . . 6062 1 153 . 1 1 10 10 U H4' H 1 4.417 0.01 . 1 . . . . . . . . 6062 1 154 . 1 1 10 10 U H5' H 1 4.443 0.01 . 2 . . . . . . . . 6062 1 155 . 1 1 10 10 U H5'' H 1 4.103 0.01 . 2 . . . . . . . . 6062 1 156 . 1 1 10 10 U C1' C 13 92.595 0.01 . 1 . . . . . . . . 6062 1 157 . 1 1 10 10 U C2' C 13 75.975 0.01 . 1 . . . . . . . . 6062 1 158 . 1 1 10 10 U C3' C 13 74.042 0.01 . 1 . . . . . . . . 6062 1 159 . 1 1 10 10 U C4' C 13 83.482 0.01 . 1 . . . . . . . . 6062 1 160 . 1 1 10 10 U C5' C 13 65.212 0.01 . 1 . . . . . . . . 6062 1 161 . 1 1 10 10 U P P 31 -4.37 0.01 . 1 . . . . . . . . 6062 1 162 . 1 1 11 11 U H5 H 1 5.828 0.01 . 1 . . . . . . . . 6062 1 163 . 1 1 11 11 U H6 H 1 7.806 0.01 . 1 . . . . . . . . 6062 1 164 . 1 1 11 11 U C5 C 13 105.440 0.01 . 1 . . . . . . . . 6062 1 165 . 1 1 11 11 U C6 C 13 143.320 0.01 . 1 . . . . . . . . 6062 1 166 . 1 1 11 11 U H1' H 1 5.769 0.01 . 1 . . . . . . . . 6062 1 167 . 1 1 11 11 U H2' H 1 4.382 0.01 . 1 . . . . . . . . 6062 1 168 . 1 1 11 11 U H3' H 1 4.483 0.01 . 1 . . . . . . . . 6062 1 169 . 1 1 11 11 U H4' H 1 4.411 0.01 . 1 . . . . . . . . 6062 1 170 . 1 1 11 11 U H5' H 1 4.200 0.01 . 2 . . . . . . . . 6062 1 171 . 1 1 11 11 U H5'' H 1 4.062 0.01 . 2 . . . . . . . . 6062 1 172 . 1 1 11 11 U C1' C 13 91.110 0.01 . 1 . . . . . . . . 6062 1 173 . 1 1 11 11 U C2' C 13 75.506 0.01 . 1 . . . . . . . . 6062 1 174 . 1 1 11 11 U C3' C 13 76.549 0.01 . 1 . . . . . . . . 6062 1 175 . 1 1 11 11 U C4' C 13 85.124 0.01 . 1 . . . . . . . . 6062 1 176 . 1 1 11 11 U C5' C 13 67.206 0.01 . 1 . . . . . . . . 6062 1 177 . 1 1 11 11 U P P 31 -3.96 0.01 . 1 . . . . . . . . 6062 1 178 . 1 1 12 12 U H5 H 1 5.840 0.01 . 1 . . . . . . . . 6062 1 179 . 1 1 12 12 U H6 H 1 7.705 0.01 . 1 . . . . . . . . 6062 1 180 . 1 1 12 12 U C5 C 13 105.585 0.01 . 1 . . . . . . . . 6062 1 181 . 1 1 12 12 U C6 C 13 143.595 0.01 . 1 . . . . . . . . 6062 1 182 . 1 1 12 12 U H1' H 1 5.713 0.01 . 1 . . . . . . . . 6062 1 183 . 1 1 12 12 U H2' H 1 4.258 0.01 . 1 . . . . . . . . 6062 1 184 . 1 1 12 12 U H3' H 1 4.496 0.01 . 1 . . . . . . . . 6062 1 185 . 1 1 12 12 U H4' H 1 4.060 0.01 . 1 . . . . . . . . 6062 1 186 . 1 1 12 12 U H5' H 1 3.909 0.01 . 2 . . . . . . . . 6062 1 187 . 1 1 12 12 U H5'' H 1 3.897 0.01 . 2 . . . . . . . . 6062 1 188 . 1 1 12 12 U C1' C 13 89.877 0.01 . 1 . . . . . . . . 6062 1 189 . 1 1 12 12 U C2' C 13 75.483 0.01 . 1 . . . . . . . . 6062 1 190 . 1 1 12 12 U C3' C 13 77.774 0.01 . 1 . . . . . . . . 6062 1 191 . 1 1 12 12 U C4' C 13 85.007 0.01 . 1 . . . . . . . . 6062 1 192 . 1 1 12 12 U C5' C 13 67.419 0.01 . 1 . . . . . . . . 6062 1 193 . 1 1 12 12 U P P 31 -3.963 0.01 . 1 . . . . . . . . 6062 1 194 . 1 1 13 13 G H8 H 1 7.708 0.01 . 1 . . . . . . . . 6062 1 195 . 1 1 13 13 G C8 C 13 139.964 0.01 . 1 . . . . . . . . 6062 1 196 . 1 1 13 13 G H1' H 1 5.449 0.01 . 1 . . . . . . . . 6062 1 197 . 1 1 13 13 G H2' H 1 4.648 0.01 . 1 . . . . . . . . 6062 1 198 . 1 1 13 13 G H3' H 1 4.786 0.01 . 1 . . . . . . . . 6062 1 199 . 1 1 13 13 G H4' H 1 4.359 0.01 . 1 . . . . . . . . 6062 1 200 . 1 1 13 13 G H5' H 1 4.125 0.01 . 2 . . . . . . . . 6062 1 201 . 1 1 13 13 G H5'' H 1 4.025 0.01 . 2 . . . . . . . . 6062 1 202 . 1 1 13 13 G C1' C 13 90.624 0.01 . 1 . . . . . . . . 6062 1 203 . 1 1 13 13 G C2' C 13 75.856 0.01 . 1 . . . . . . . . 6062 1 204 . 1 1 13 13 G C3' C 13 77.969 0.01 . 1 . . . . . . . . 6062 1 205 . 1 1 13 13 G C4' C 13 85.594 0.01 . 1 . . . . . . . . 6062 1 206 . 1 1 13 13 G C5' C 13 67.786 0.01 . 1 . . . . . . . . 6062 1 207 . 1 1 13 13 G P P 31 -3.905 0.01 . 1 . . . . . . . . 6062 1 208 . 1 1 14 14 U H5 H 1 5.906 0.01 . 1 . . . . . . . . 6062 1 209 . 1 1 14 14 U H6 H 1 7.876 0.01 . 1 . . . . . . . . 6062 1 210 . 1 1 14 14 U C5 C 13 105.513 0.01 . 1 . . . . . . . . 6062 1 211 . 1 1 14 14 U C6 C 13 144.037 0.01 . 1 . . . . . . . . 6062 1 212 . 1 1 14 14 U H1' H 1 6.037 0.01 . 1 . . . . . . . . 6062 1 213 . 1 1 14 14 U H2' H 1 4.489 0.01 . 1 . . . . . . . . 6062 1 214 . 1 1 14 14 U H3' H 1 4.681 0.01 . 1 . . . . . . . . 6062 1 215 . 1 1 14 14 U H4' H 1 4.581 0.01 . 1 . . . . . . . . 6062 1 216 . 1 1 14 14 U H5' H 1 4.219 0.01 . 2 . . . . . . . . 6062 1 217 . 1 1 14 14 U H5'' H 1 4.174 0.01 . 2 . . . . . . . . 6062 1 218 . 1 1 14 14 U C1' C 13 90.250 0.01 . 1 . . . . . . . . 6062 1 219 . 1 1 14 14 U C2' C 13 75.435 0.01 . 1 . . . . . . . . 6062 1 220 . 1 1 14 14 U C3' C 13 77.088 0.01 . 1 . . . . . . . . 6062 1 221 . 1 1 14 14 U C4' C 13 85.359 0.01 . 1 . . . . . . . . 6062 1 222 . 1 1 14 14 U C5' C 13 68.027 0.01 . 1 . . . . . . . . 6062 1 223 . 1 1 14 14 U P P 31 -4.01 0.01 . 1 . . . . . . . . 6062 1 224 . 1 1 15 15 A H2 H 1 7.986 0.01 . 1 . . . . . . . . 6062 1 225 . 1 1 15 15 A H8 H 1 8.257 0.01 . 1 . . . . . . . . 6062 1 226 . 1 1 15 15 A C2 C 13 154.384 0.01 . 1 . . . . . . . . 6062 1 227 . 1 1 15 15 A C8 C 13 141.120 0.01 . 1 . . . . . . . . 6062 1 228 . 1 1 15 15 A H1' H 1 5.842 0.01 . 1 . . . . . . . . 6062 1 229 . 1 1 15 15 A H2' H 1 4.728 0.01 . 1 . . . . . . . . 6062 1 230 . 1 1 15 15 A H3' H 1 4.531 0.01 . 1 . . . . . . . . 6062 1 231 . 1 1 15 15 A H4' H 1 4.534 0.01 . 1 . . . . . . . . 6062 1 232 . 1 1 15 15 A H5' H 1 4.397 0.01 . 2 . . . . . . . . 6062 1 233 . 1 1 15 15 A H5'' H 1 4.242 0.01 . 2 . . . . . . . . 6062 1 234 . 1 1 15 15 A C1' C 13 92.666 0.01 . 1 . . . . . . . . 6062 1 235 . 1 1 15 15 A C2' C 13 75.623 0.01 . 1 . . . . . . . . 6062 1 236 . 1 1 15 15 A C3' C 13 74.503 0.01 . 1 . . . . . . . . 6062 1 237 . 1 1 15 15 A C4' C 13 83.365 0.01 . 1 . . . . . . . . 6062 1 238 . 1 1 15 15 A C5' C 13 67.120 0.01 . 1 . . . . . . . . 6062 1 239 . 1 1 15 15 A P P 31 -3.94 0.01 . 1 . . . . . . . . 6062 1 240 . 1 1 16 16 U H5 H 1 5.475 0.01 . 1 . . . . . . . . 6062 1 241 . 1 1 16 16 U H6 H 1 7.730 0.01 . 1 . . . . . . . . 6062 1 242 . 1 1 16 16 U C5 C 13 104.174 0.01 . 1 . . . . . . . . 6062 1 243 . 1 1 16 16 U C6 C 13 141.527 0.01 . 1 . . . . . . . . 6062 1 244 . 1 1 16 16 U H1' H 1 5.538 0.01 . 1 . . . . . . . . 6062 1 245 . 1 1 16 16 U H2' H 1 4.254 0.01 . 1 . . . . . . . . 6062 1 246 . 1 1 16 16 U H3' H 1 4.535 0.01 . 1 . . . . . . . . 6062 1 247 . 1 1 16 16 U H4' H 1 4.488 0.01 . 9 . . . . . . . . 6062 1 248 . 1 1 16 16 U H5' H 1 4.476 0.01 . 9 . . . . . . . . 6062 1 249 . 1 1 16 16 U H5'' H 1 4.148 0.01 . 9 . . . . . . . . 6062 1 250 . 1 1 16 16 U C1' C 13 92.536 0.01 . 1 . . . . . . . . 6062 1 251 . 1 1 16 16 U C2' C 13 75.740 0.01 . 1 . . . . . . . . 6062 1 252 . 1 1 16 16 U C3' C 13 73.629 0.01 . 1 . . . . . . . . 6062 1 253 . 1 1 16 16 U C4' C 13 83.130 0.01 . 9 . . . . . . . . 6062 1 254 . 1 1 16 16 U C5' C 13 65.330 0.01 . 9 . . . . . . . . 6062 1 255 . 1 1 17 17 C H41 H 1 8.569 0.01 . 2 . . . . . . . . 6062 1 256 . 1 1 17 17 C H42 H 1 7.011 0.01 . 2 . . . . . . . . 6062 1 257 . 1 1 17 17 C H5 H 1 5.740 0.01 . 1 . . . . . . . . 6062 1 258 . 1 1 17 17 C H6 H 1 7.888 0.01 . 1 . . . . . . . . 6062 1 259 . 1 1 17 17 C C5 C 13 97.894 0.01 . 1 . . . . . . . . 6062 1 260 . 1 1 17 17 C C6 C 13 142.181 0.01 . 1 . . . . . . . . 6062 1 261 . 1 1 17 17 C N4 N 15 99.13 0.01 . 1 . . . . . . . . 6062 1 262 . 1 1 17 17 C H1' H 1 5.640 0.01 . 1 . . . . . . . . 6062 1 263 . 1 1 17 17 C H2' H 1 4.500 0.01 . 1 . . . . . . . . 6062 1 264 . 1 1 17 17 C H3' H 1 4.423 0.01 . 1 . . . . . . . . 6062 1 265 . 1 1 17 17 C H4' H 1 4.458 0.01 . 1 . . . . . . . . 6062 1 266 . 1 1 17 17 C H5' H 1 4.515 0.01 . 2 . . . . . . . . 6062 1 267 . 1 1 17 17 C H5'' H 1 4.153 0.01 . 2 . . . . . . . . 6062 1 268 . 1 1 17 17 C C1' C 13 94.068 0.01 . 1 . . . . . . . . 6062 1 269 . 1 1 17 17 C C2' C 13 75.506 0.01 . 1 . . . . . . . . 6062 1 270 . 1 1 17 17 C C3' C 13 72.617 0.01 . 1 . . . . . . . . 6062 1 271 . 1 1 17 17 C C4' C 13 82.074 0.01 . 1 . . . . . . . . 6062 1 272 . 1 1 17 17 C C5' C 13 65.330 0.01 . 1 . . . . . . . . 6062 1 273 . 1 1 17 17 C P P 31 -4.33 0.01 . 1 . . . . . . . . 6062 1 274 . 1 1 18 18 C H41 H 1 8.587 0.01 . 2 . . . . . . . . 6062 1 275 . 1 1 18 18 C H42 H 1 7.095 0.01 . 2 . . . . . . . . 6062 1 276 . 1 1 18 18 C H5 H 1 5.658 0.01 . 1 . . . . . . . . 6062 1 277 . 1 1 18 18 C H6 H 1 7.843 0.01 . 1 . . . . . . . . 6062 1 278 . 1 1 18 18 C C5 C 13 98.054 0.01 . 1 . . . . . . . . 6062 1 279 . 1 1 18 18 C C6 C 13 141.211 0.01 . 1 . . . . . . . . 6062 1 280 . 1 1 18 18 C N4 N 15 99.11 0.01 . 1 . . . . . . . . 6062 1 281 . 1 1 18 18 C H1' H 1 5.492 0.01 . 1 . . . . . . . . 6062 1 282 . 1 1 18 18 C H2' H 1 4.382 0.01 . 1 . . . . . . . . 6062 1 283 . 1 1 18 18 C H3' H 1 4.517 0.01 . 9 . . . . . . . . 6062 1 284 . 1 1 18 18 C H4' H 1 4.424 0.01 . 1 . . . . . . . . 6062 1 285 . 1 1 18 18 C H5' H 1 4.554 0.01 . 2 . . . . . . . . 6062 1 286 . 1 1 18 18 C H5'' H 1 4.112 0.01 . 2 . . . . . . . . 6062 1 287 . 1 1 18 18 C C1' C 13 94.243 0.01 . 1 . . . . . . . . 6062 1 288 . 1 1 18 18 C C2' C 13 75.271 0.01 . 1 . . . . . . . . 6062 1 289 . 1 1 18 18 C C3' C 13 72.020 0.01 . 9 . . . . . . . . 6062 1 290 . 1 1 18 18 C C4' C 13 82.074 0.01 . 1 . . . . . . . . 6062 1 291 . 1 1 18 18 C C5' C 13 64.391 0.01 . 1 . . . . . . . . 6062 1 292 . 1 1 18 18 C P P 31 -4.56 0.01 . 1 . . . . . . . . 6062 1 293 . 1 1 19 19 U H3 H 1 14.305 0.01 . 1 . . . . . . . . 6062 1 294 . 1 1 19 19 U H5 H 1 5.521 0.01 . 1 . . . . . . . . 6062 1 295 . 1 1 19 19 U H6 H 1 7.933 0.01 . 1 . . . . . . . . 6062 1 296 . 1 1 19 19 U C5 C 13 103.385 0.01 . 1 . . . . . . . . 6062 1 297 . 1 1 19 19 U C6 C 13 141.895 0.01 . 1 . . . . . . . . 6062 1 298 . 1 1 19 19 U N3 N 15 161.914 0.01 . 1 . . . . . . . . 6062 1 299 . 1 1 19 19 U H1' H 1 5.523 0.01 . 1 . . . . . . . . 6062 1 300 . 1 1 19 19 U H2' H 1 4.620 0.01 . 1 . . . . . . . . 6062 1 301 . 1 1 19 19 U H3' H 1 4.481 0.01 . 1 . . . . . . . . 6062 1 302 . 1 1 19 19 U H4' H 1 4.438 0.01 . 9 . . . . . . . . 6062 1 303 . 1 1 19 19 U H5' H 1 4.328 0.01 . 2 . . . . . . . . 6062 1 304 . 1 1 19 19 U H5'' H 1 4.328 0.01 . 2 . . . . . . . . 6062 1 305 . 1 1 19 19 U C1' C 13 93.772 0.01 . 1 . . . . . . . . 6062 1 306 . 1 1 19 19 U C2' C 13 75.271 0.01 . 1 . . . . . . . . 6062 1 307 . 1 1 19 19 U C3' C 13 71.869 0.01 . 1 . . . . . . . . 6062 1 308 . 1 1 19 19 U C4' C 13 82.074 0.01 . 9 . . . . . . . . 6062 1 309 . 1 1 19 19 U C5' C 13 64.039 0.01 . 1 . . . . . . . . 6062 1 310 . 1 1 20 20 U H3 H 1 11.789 0.01 . 1 . . . . . . . . 6062 1 311 . 1 1 20 20 U H5 H 1 5.877 0.01 . 1 . . . . . . . . 6062 1 312 . 1 1 20 20 U H6 H 1 8.026 0.01 . 1 . . . . . . . . 6062 1 313 . 1 1 20 20 U C5 C 13 104.820 0.01 . 1 . . . . . . . . 6062 1 314 . 1 1 20 20 U C6 C 13 141.484 0.01 . 1 . . . . . . . . 6062 1 315 . 1 1 20 20 U N3 N 15 158.058 0.01 . 1 . . . . . . . . 6062 1 316 . 1 1 20 20 U H1' H 1 5.533 0.01 . 1 . . . . . . . . 6062 1 317 . 1 1 20 20 U H2' H 1 4.140 0.01 . 1 . . . . . . . . 6062 1 318 . 1 1 20 20 U H3' H 1 4.596 0.01 . 1 . . . . . . . . 6062 1 319 . 1 1 20 20 U H4' H 1 4.447 0.01 . 1 . . . . . . . . 6062 1 320 . 1 1 20 20 U H5' H 1 4.539 0.01 . 2 . . . . . . . . 6062 1 321 . 1 1 20 20 U H5'' H 1 4.116 0.01 . 2 . . . . . . . . 6062 1 322 . 1 1 20 20 U C1' C 13 93.846 0.01 . 1 . . . . . . . . 6062 1 323 . 1 1 20 20 U C2' C 13 75.766 0.01 . 1 . . . . . . . . 6062 1 324 . 1 1 20 20 U C3' C 13 72.428 0.01 . 1 . . . . . . . . 6062 1 325 . 1 1 20 20 U C4' C 13 82.426 0.01 . 1 . . . . . . . . 6062 1 326 . 1 1 20 20 U C5' C 13 64.329 0.01 . 1 . . . . . . . . 6062 1 327 . 1 1 21 21 C H41 H 1 8.475 0.01 . 2 . . . . . . . . 6062 1 328 . 1 1 21 21 C H42 H 1 6.906 0.01 . 2 . . . . . . . . 6062 1 329 . 1 1 21 21 C H5 H 1 5.685 0.01 . 1 . . . . . . . . 6062 1 330 . 1 1 21 21 C H6 H 1 8.000 0.01 . 1 . . . . . . . . 6062 1 331 . 1 1 21 21 C C5 C 13 97.237 0.01 . 1 . . . . . . . . 6062 1 332 . 1 1 21 21 C C6 C 13 142.599 0.01 . 1 . . . . . . . . 6062 1 333 . 1 1 21 21 C N4 N 15 98.31 0.01 . 1 . . . . . . . . 6062 1 334 . 1 1 21 21 C H1' H 1 5.506 0.01 . 1 . . . . . . . . 6062 1 335 . 1 1 21 21 C H2' H 1 4.337 0.01 . 1 . . . . . . . . 6062 1 336 . 1 1 21 21 C H3' H 1 4.490 0.01 . 1 . . . . . . . . 6062 1 337 . 1 1 21 21 C H4' H 1 4.398 0.01 . 1 . . . . . . . . 6062 1 338 . 1 1 21 21 C H5' H 1 4.556 0.01 . 2 . . . . . . . . 6062 1 339 . 1 1 21 21 C H5'' H 1 4.090 0.01 . 2 . . . . . . . . 6062 1 340 . 1 1 21 21 C C1' C 13 93.741 0.01 . 1 . . . . . . . . 6062 1 341 . 1 1 21 21 C C2' C 13 75.425 0.01 . 1 . . . . . . . . 6062 1 342 . 1 1 21 21 C C3' C 13 72.214 0.01 . 1 . . . . . . . . 6062 1 343 . 1 1 21 21 C C4' C 13 81.723 0.01 . 1 . . . . . . . . 6062 1 344 . 1 1 21 21 C C5' C 13 64.677 0.01 . 1 . . . . . . . . 6062 1 345 . 1 1 21 21 C P P 31 -4.86 0.01 . 1 . . . . . . . . 6062 1 346 . 1 1 22 22 C H41 H 1 8.525 0.01 . 2 . . . . . . . . 6062 1 347 . 1 1 22 22 C H42 H 1 6.941 0.01 . 2 . . . . . . . . 6062 1 348 . 1 1 22 22 C H5 H 1 5.502 0.01 . 1 . . . . . . . . 6062 1 349 . 1 1 22 22 C H6 H 1 7.808 0.01 . 1 . . . . . . . . 6062 1 350 . 1 1 22 22 C C5 C 13 97.454 0.01 . 1 . . . . . . . . 6062 1 351 . 1 1 22 22 C C6 C 13 141.632 0.01 . 1 . . . . . . . . 6062 1 352 . 1 1 22 22 C N4 N 15 98.32 0.01 . 1 . . . . . . . . 6062 1 353 . 1 1 22 22 C H1' H 1 5.476 0.01 . 1 . . . . . . . . 6062 1 354 . 1 1 22 22 C H2' H 1 4.259 0.01 . 1 . . . . . . . . 6062 1 355 . 1 1 22 22 C H3' H 1 4.488 0.01 . 1 . . . . . . . . 6062 1 356 . 1 1 22 22 C H4' H 1 4.383 0.01 . 1 . . . . . . . . 6062 1 357 . 1 1 22 22 C H5' H 1 4.055 0.01 . 2 . . . . . . . . 6062 1 358 . 1 1 22 22 C H5'' H 1 4.055 0.01 . 2 . . . . . . . . 6062 1 359 . 1 1 22 22 C C1' C 13 94.314 0.01 . 1 . . . . . . . . 6062 1 360 . 1 1 22 22 C C2' C 13 75.553 0.01 . 1 . . . . . . . . 6062 1 361 . 1 1 22 22 C C3' C 13 72.042 0.01 . 1 . . . . . . . . 6062 1 362 . 1 1 22 22 C C4' C 13 82.005 0.01 . 1 . . . . . . . . 6062 1 363 . 1 1 22 22 C C5' C 13 64.475 0.01 . 1 . . . . . . . . 6062 1 364 . 1 1 22 22 C P P 31 -4.57 0.01 . 1 . . . . . . . . 6062 1 365 . 1 1 23 23 C H41 H 1 8.264 0.01 . 2 . . . . . . . . 6062 1 366 . 1 1 23 23 C H42 H 1 7.012 0.01 . 2 . . . . . . . . 6062 1 367 . 1 1 23 23 C H5 H 1 5.504 0.01 . 1 . . . . . . . . 6062 1 368 . 1 1 23 23 C H6 H 1 7.698 0.01 . 1 . . . . . . . . 6062 1 369 . 1 1 23 23 C C5 C 13 97.953 0.01 . 1 . . . . . . . . 6062 1 370 . 1 1 23 23 C C6 C 13 141.883 0.01 . 1 . . . . . . . . 6062 1 371 . 1 1 23 23 C N4 N 15 97.04 0.01 . 1 . . . . . . . . 6062 1 372 . 1 1 23 23 C H1' H 1 5.754 0.01 . 1 . . . . . . . . 6062 1 373 . 1 1 23 23 C H2' H 1 4.002 0.01 . 1 . . . . . . . . 6062 1 374 . 1 1 23 23 C H3' H 1 4.191 0.01 . 1 . . . . . . . . 6062 1 375 . 1 1 23 23 C H4' H 1 4.175 0.01 . 1 . . . . . . . . 6062 1 376 . 1 1 23 23 C H5' H 1 4.490 0.01 . 2 . . . . . . . . 6062 1 377 . 1 1 23 23 C H5'' H 1 4.032 0.01 . 2 . . . . . . . . 6062 1 378 . 1 1 23 23 C C1' C 13 92.873 0.01 . 1 . . . . . . . . 6062 1 379 . 1 1 23 23 C C2' C 13 77.515 0.01 . 1 . . . . . . . . 6062 1 380 . 1 1 23 23 C C3' C 13 99.623 0.01 . 1 . . . . . . . . 6062 1 381 . 1 1 23 23 C C4' C 13 83.460 0.01 . 1 . . . . . . . . 6062 1 382 . 1 1 23 23 C C5' C 13 65.095 0.01 . 1 . . . . . . . . 6062 1 383 . 1 1 23 23 C P P 31 -4.41 0.01 . 1 . . . . . . . . 6062 1 stop_ save_