data_4346 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4346 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for the Regulatory mRNA of the Yeast Ribosomal Protein L30 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-05-07 _Entry.Accession_date 1999-05-10 _Entry.Last_release_date 2000-03-08 _Entry.Original_release_date 2000-03-08 _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 Hongyuan Mao . . . 4346 2 Susan White . A. . 4346 3 james Williamson . R. . 4346 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4346 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 193 4346 '15N chemical shifts' 24 4346 '1H chemical shifts' 255 4346 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 . . 2000-03-08 1999-05-07 original author . 4346 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4345 . 4346 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4346 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20051011 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Mao, H. N., White, S. A., and Williamson, J. R., "A Novel Loop-loop Recognition Motif in the Yeast Ribosomal Protein L30 Autoregulatory RNA Complex," Nat. Struct. Biol. 6, 1139-1147 (1999). ; _Citation.Title ; A Novel Loop-loop Recognition Motif in the Yeast Ribosomal Protein L30 Autoregulatory RNA Complex ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Biol.' _Citation.Journal_name_full 'Nature Structural Biology' _Citation.Journal_volume 6 _Citation.Journal_issue 12 _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 1139 _Citation.Page_last 1147 _Citation.Year 1999 _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 Hongyuan Mao . . . 4346 1 2 Susan White . A. . 4346 1 3 james Williamson . R. . 4346 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'AUTO-REGULATION OF PRE-MRNA SPLICING AND MRNA TRANSLATION' 4346 1 'PROTEIN-RNA COMPLEX' 4346 1 'RIBOSOMAL PROTEIN' 4346 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_SYSTEM_L30_MRNA _Assembly.Sf_category assembly _Assembly.Sf_framecode SYSTEM_L30_MRNA _Assembly.Entry_ID 4346 _Assembly.ID 1 _Assembly.Name 'L30 MRNA' _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 'THE RNA USED IN THE NMR STUDIES IS ONLY A SMALL FRACTION OF THE PRE-MRNA. DETAILED DESCRIPTION CAN BE FOUND IN THE REFERENCE PAPER.' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID MONOMER 4346 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 L30RNA 1 $L30_MRNA . . . native . . . . . 4346 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 1CK8 . . . . . . 4346 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'L30 MRNA' abbreviation 4346 1 'L30 MRNA' system 4346 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'THE AUTOREGULATORY BINDING SITE FOR THE YEAST RIBOSOMAL PROTEIN L30.' 4346 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_L30_MRNA _Entity.Sf_category entity _Entity.Sf_framecode L30_MRNA _Entity.Entry_ID 4346 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'L30 MRNA' _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 ; GGACCGGAGUGUCGCAAGAC GCAGAGAUGGUCC ; _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 33 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _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 'L30 MRNA' abbreviation 4346 1 'L30 MRNA' common 4346 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 5 G . 4346 1 2 6 G . 4346 1 3 7 A . 4346 1 4 8 C . 4346 1 5 9 C . 4346 1 6 10 G . 4346 1 7 11 G . 4346 1 8 12 A . 4346 1 9 13 G . 4346 1 10 14 U . 4346 1 11 15 G . 4346 1 12 16 U . 4346 1 13 17 C . 4346 1 14 18 G . 4346 1 15 19 C . 4346 1 16 20 A . 4346 1 17 21 A . 4346 1 18 50 G . 4346 1 19 51 A . 4346 1 20 52 C . 4346 1 21 53 G . 4346 1 22 54 C . 4346 1 23 55 A . 4346 1 24 56 G . 4346 1 25 57 A . 4346 1 26 58 G . 4346 1 27 59 A . 4346 1 28 60 U . 4346 1 29 61 G . 4346 1 30 62 G . 4346 1 31 63 U . 4346 1 32 64 C . 4346 1 33 65 C . 4346 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 4346 1 . G 2 2 4346 1 . A 3 3 4346 1 . C 4 4 4346 1 . C 5 5 4346 1 . G 6 6 4346 1 . G 7 7 4346 1 . A 8 8 4346 1 . G 9 9 4346 1 . U 10 10 4346 1 . G 11 11 4346 1 . U 12 12 4346 1 . C 13 13 4346 1 . G 14 14 4346 1 . C 15 15 4346 1 . A 16 16 4346 1 . A 17 17 4346 1 . G 18 18 4346 1 . A 19 19 4346 1 . C 20 20 4346 1 . G 21 21 4346 1 . C 22 22 4346 1 . A 23 23 4346 1 . G 24 24 4346 1 . A 25 25 4346 1 . G 26 26 4346 1 . A 27 27 4346 1 . U 28 28 4346 1 . G 29 29 4346 1 . G 30 30 4346 1 . U 31 31 4346 1 . C 32 32 4346 1 . C 33 33 4346 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 4346 _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 $L30_MRNA . 4932 . . 'SACCHAROMYCES CEREVISIAE' 'BAKER'S YEAST' . . Eukaryota FUNGI SACCHAROMYCES CEREVISIAE . . . . . . . . . . . . NUCLEUS . . . 'L30 PRE-MRNA' . 'IN VITRO T7 RNA POLYMERASE TRANSCRIPTION' . . 4346 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 4346 _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 $L30_MRNA . 'enzymatic semisynthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . 'IN VITRO T7 RNA POLYMERASE TRANSCRIPTION' . . 4346 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_SAMPLE_1 _Sample.Sf_category sample _Sample.Sf_framecode SAMPLE_1 _Sample.Entry_ID 4346 _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 'L30 MRNA' N/A . . 1 $L30_MRNA . . 1.8 0.7 1.8 mM . . . . 4346 1 stop_ save_ save_SAMPLE_2 _Sample.Sf_category sample _Sample.Sf_framecode SAMPLE_2 _Sample.Entry_ID 4346 _Sample.ID 2 _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 'L30 MRNA' '[U-99% 13C; U-99% 15N]' . . 1 $L30_MRNA . . 0.9 . . mM . . . . 4346 2 stop_ save_ save_SAMPLE_3 _Sample.Sf_category sample _Sample.Sf_framecode SAMPLE_3 _Sample.Entry_ID 4346 _Sample.ID 3 _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 'L30 MRNA' '[U-95% 13C; U-99% 15N]-G' . . 1 $L30_MRNA . . 0.5 . . mM . . . . 4346 3 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4346 _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' 0.1 0.02 M 4346 1 pH 6.0 0.2 n/a 4346 1 temperature 288 1 K 4346 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPIPE _Software.Sf_category software _Software.Sf_framecode NMRPIPE _Software.Entry_ID 4346 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer1 _NMR_spectrometer.Entry_ID 4346 _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_NMR_spectrometer2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer2 _NMR_spectrometer.Entry_ID 4346 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer FBML _NMR_spectrometer.Model FBML _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 4346 _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_spectrometer1 VARIAN INOVA . 600 . . . 4346 1 2 NMR_spectrometer2 FBML FBML . 500 . . . 4346 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 4346 _Experiment_list.ID 1 _Experiment_list.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 4346 _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 direct . internal spherical parallel_to_Bo . . . . . . 4346 1 H 1 TSP 'methyl protons' . . . . ppm 0.00 internal direct . internal spherical parallel_to_Bo . . . . . . 4346 1 N 15 'ammonium chloride NH4Cl' 'ammonium nitrogen' . . . . ppm 0.00 internal direct . internal spherical parallel_to_Bo . . . . . . 4346 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4346 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-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 . 4346 1 . . 2 $SAMPLE_2 . 4346 1 . . 3 $SAMPLE_3 . 4346 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 8.18 0.02 . 1 . . . . . . . . 4346 1 2 . 1 1 1 1 G C8 C 13 139.4 0.2 . 1 . . . . . . . . 4346 1 3 . 1 1 1 1 G H1' H 1 5.85 0.02 . 1 . . . . . . . . 4346 1 4 . 1 1 1 1 G H2' H 1 4.97 0.02 . 1 . . . . . . . . 4346 1 5 . 1 1 1 1 G H3' H 1 4.75 0.02 . 1 . . . . . . . . 4346 1 6 . 1 1 1 1 G H4' H 1 4.58 0.02 . 1 . . . . . . . . 4346 1 7 . 1 1 1 1 G H5' H 1 4.42 0.02 . 2 . . . . . . . . 4346 1 8 . 1 1 1 1 G H5'' H 1 4.33 0.02 . 2 . . . . . . . . 4346 1 9 . 1 1 1 1 G C1' C 13 90.8 0.2 . 1 . . . . . . . . 4346 1 10 . 1 1 1 1 G C2' C 13 75.5 0.2 . 1 . . . . . . . . 4346 1 11 . 1 1 1 1 G C3' C 13 75.4 0.2 . 1 . . . . . . . . 4346 1 12 . 1 1 1 1 G C4' C 13 84.2 0.2 . 1 . . . . . . . . 4346 1 13 . 1 1 1 1 G C5' C 13 67.8 0.2 . 1 . . . . . . . . 4346 1 14 . 1 1 2 2 G H1 H 1 12.50 0.02 . 1 . . . . . . . . 4346 1 15 . 1 1 2 2 G H8 H 1 7.67 0.02 . 1 . . . . . . . . 4346 1 16 . 1 1 2 2 G C8 C 13 137.6 0.2 . 1 . . . . . . . . 4346 1 17 . 1 1 2 2 G N1 N 15 146.8 0.2 . 1 . . . . . . . . 4346 1 18 . 1 1 2 2 G H1' H 1 5.92 0.02 . 1 . . . . . . . . 4346 1 19 . 1 1 2 2 G H2' H 1 4.69 0.02 . 1 . . . . . . . . 4346 1 20 . 1 1 2 2 G H3' H 1 4.65 0.02 . 1 . . . . . . . . 4346 1 21 . 1 1 2 2 G H4' H 1 4.61 0.02 . 1 . . . . . . . . 4346 1 22 . 1 1 2 2 G H5' H 1 4.37 0.02 . 2 . . . . . . . . 4346 1 23 . 1 1 2 2 G H5'' H 1 4.51 0.02 . 2 . . . . . . . . 4346 1 24 . 1 1 2 2 G C1' C 13 93.1 0.2 . 1 . . . . . . . . 4346 1 25 . 1 1 2 2 G C2' C 13 75.9 0.2 . 1 . . . . . . . . 4346 1 26 . 1 1 2 2 G C3' C 13 74.0 0.2 . 1 . . . . . . . . 4346 1 27 . 1 1 2 2 G C4' C 13 83.2 0.2 . 1 . . . . . . . . 4346 1 28 . 1 1 2 2 G C5' C 13 67.4 0.2 . 1 . . . . . . . . 4346 1 29 . 1 1 3 3 A H2 H 1 7.86 0.02 . 1 . . . . . . . . 4346 1 30 . 1 1 3 3 A H8 H 1 7.94 0.02 . 1 . . . . . . . . 4346 1 31 . 1 1 3 3 A C2 C 13 154.4 0.2 . 1 . . . . . . . . 4346 1 32 . 1 1 3 3 A C8 C 13 140.5 0.2 . 1 . . . . . . . . 4346 1 33 . 1 1 3 3 A H1' H 1 6.05 0.02 . 1 . . . . . . . . 4346 1 34 . 1 1 3 3 A H2' H 1 4.63 0.02 . 1 . . . . . . . . 4346 1 35 . 1 1 3 3 A H3' H 1 4.63 0.02 . 1 . . . . . . . . 4346 1 36 . 1 1 3 3 A H4' H 1 4.55 0.02 . 1 . . . . . . . . 4346 1 37 . 1 1 3 3 A H5' H 1 4.20 0.02 . 2 . . . . . . . . 4346 1 38 . 1 1 3 3 A H5'' H 1 4.65 0.02 . 2 . . . . . . . . 4346 1 39 . 1 1 3 3 A C1' C 13 93.3 0.2 . 1 . . . . . . . . 4346 1 40 . 1 1 3 3 A C2' C 13 76.1 0.2 . 1 . . . . . . . . 4346 1 41 . 1 1 3 3 A C3' C 13 73.1 0.2 . 1 . . . . . . . . 4346 1 42 . 1 1 3 3 A C4' C 13 82.5 0.2 . 1 . . . . . . . . 4346 1 43 . 1 1 3 3 A C5' C 13 65.4 0.2 . 1 . . . . . . . . 4346 1 44 . 1 1 4 4 C H41 H 1 8.39 0.02 . 1 . . . . . . . . 4346 1 45 . 1 1 4 4 C H42 H 1 7.13 0.02 . 1 . . . . . . . . 4346 1 46 . 1 1 4 4 C H5 H 1 5.28 0.02 . 1 . . . . . . . . 4346 1 47 . 1 1 4 4 C H6 H 1 7.36 0.02 . 1 . . . . . . . . 4346 1 48 . 1 1 4 4 C C5 C 13 97.7 0.2 . 1 . . . . . . . . 4346 1 49 . 1 1 4 4 C C6 C 13 141.0 0.2 . 1 . . . . . . . . 4346 1 50 . 1 1 4 4 C N4 N 15 97.2 0.2 . 1 . . . . . . . . 4346 1 51 . 1 1 4 4 C H1' H 1 5.35 0.02 . 1 . . . . . . . . 4346 1 52 . 1 1 4 4 C H2' H 1 4.29 0.02 . 1 . . . . . . . . 4346 1 53 . 1 1 4 4 C H3' H 1 4.26 0.02 . 1 . . . . . . . . 4346 1 54 . 1 1 4 4 C H4' H 1 4.42 0.02 . 1 . . . . . . . . 4346 1 55 . 1 1 4 4 C H5' H 1 4.06 0.02 . 2 . . . . . . . . 4346 1 56 . 1 1 4 4 C H5'' H 1 4.47 0.02 . 2 . . . . . . . . 4346 1 57 . 1 1 4 4 C C1' C 13 94.2 0.2 . 1 . . . . . . . . 4346 1 58 . 1 1 4 4 C C2' C 13 76.0 0.2 . 1 . . . . . . . . 4346 1 59 . 1 1 4 4 C C3' C 13 73.0 0.2 . 1 . . . . . . . . 4346 1 60 . 1 1 4 4 C C4' C 13 82.3 0.2 . 1 . . . . . . . . 4346 1 61 . 1 1 4 4 C C5' C 13 65.6 0.2 . 1 . . . . . . . . 4346 1 62 . 1 1 5 5 C H41 H 1 8.35 0.02 . 1 . . . . . . . . 4346 1 63 . 1 1 5 5 C H42 H 1 6.67 0.02 . 1 . . . . . . . . 4346 1 64 . 1 1 5 5 C H5 H 1 5.34 0.02 . 1 . . . . . . . . 4346 1 65 . 1 1 5 5 C H6 H 1 7.44 0.02 . 1 . . . . . . . . 4346 1 66 . 1 1 5 5 C C5 C 13 98.2 0.2 . 1 . . . . . . . . 4346 1 67 . 1 1 5 5 C C6 C 13 141.2 0.2 . 1 . . . . . . . . 4346 1 68 . 1 1 5 5 C N4 N 15 97.1 0.2 . 1 . . . . . . . . 4346 1 69 . 1 1 5 5 C H1' H 1 5.42 0.02 . 1 . . . . . . . . 4346 1 70 . 1 1 5 5 C H2' H 1 4.55 0.02 . 1 . . . . . . . . 4346 1 71 . 1 1 5 5 C H3' H 1 4.29 0.02 . 1 . . . . . . . . 4346 1 72 . 1 1 5 5 C H4' H 1 4.35 0.02 . 1 . . . . . . . . 4346 1 73 . 1 1 5 5 C H5' H 1 4.07 0.02 . 2 . . . . . . . . 4346 1 74 . 1 1 5 5 C H5'' H 1 4.52 0.02 . 2 . . . . . . . . 4346 1 75 . 1 1 5 5 C C1' C 13 95.1 0.2 . 1 . . . . . . . . 4346 1 76 . 1 1 5 5 C C2' C 13 75.2 0.2 . 1 . . . . . . . . 4346 1 77 . 1 1 5 5 C C3' C 13 72.8 0.2 . 1 . . . . . . . . 4346 1 78 . 1 1 5 5 C C4' C 13 82.6 0.2 . 1 . . . . . . . . 4346 1 79 . 1 1 5 5 C C5' C 13 65.2 0.2 . 1 . . . . . . . . 4346 1 80 . 1 1 6 6 G H1 H 1 10.80 0.02 . 1 . . . . . . . . 4346 1 81 . 1 1 6 6 G H21 H 1 6.45 0.02 . 1 . . . . . . . . 4346 1 82 . 1 1 6 6 G H22 H 1 6.45 0.02 . 1 . . . . . . . . 4346 1 83 . 1 1 6 6 G H8 H 1 7.70 0.02 . 1 . . . . . . . . 4346 1 84 . 1 1 6 6 G C8 C 13 137.5 0.2 . 1 . . . . . . . . 4346 1 85 . 1 1 6 6 G N1 N 15 144.6 0.2 . 1 . . . . . . . . 4346 1 86 . 1 1 6 6 G N2 N 15 72.9 0.2 . 1 . . . . . . . . 4346 1 87 . 1 1 6 6 G H1' H 1 5.57 0.02 . 1 . . . . . . . . 4346 1 88 . 1 1 6 6 G H2' H 1 4.48 0.02 . 1 . . . . . . . . 4346 1 89 . 1 1 6 6 G H3' H 1 4.78 0.02 . 1 . . . . . . . . 4346 1 90 . 1 1 6 6 G H4' H 1 4.29 0.02 . 1 . . . . . . . . 4346 1 91 . 1 1 6 6 G C1' C 13 93.2 0.2 . 1 . . . . . . . . 4346 1 92 . 1 1 6 6 G C2' C 13 78.0 0.2 . 1 . . . . . . . . 4346 1 93 . 1 1 6 6 G C3' C 13 75.3 0.2 . 1 . . . . . . . . 4346 1 94 . 1 1 6 6 G C4' C 13 83.5 0.2 . 1 . . . . . . . . 4346 1 95 . 1 1 7 7 G H1 H 1 10.92 0.02 . 9 . . . . . . . . 4346 1 96 . 1 1 7 7 G H8 H 1 7.93 0.02 . 1 . . . . . . . . 4346 1 97 . 1 1 7 7 G C8 C 13 139.4 0.2 . 1 . . . . . . . . 4346 1 98 . 1 1 7 7 G N1 N 15 146.0 0.2 . 1 . . . . . . . . 4346 1 99 . 1 1 7 7 G H1' H 1 5.68 0.02 . 1 . . . . . . . . 4346 1 100 . 1 1 7 7 G H2' H 1 4.86 0.02 . 1 . . . . . . . . 4346 1 101 . 1 1 7 7 G H3' H 1 4.96 0.02 . 1 . . . . . . . . 4346 1 102 . 1 1 7 7 G H4' H 1 4.55 0.02 . 1 . . . . . . . . 4346 1 103 . 1 1 7 7 G H5' H 1 4.08 0.02 . 2 . . . . . . . . 4346 1 104 . 1 1 7 7 G C1' C 13 89.1 0.2 . 9 . . . . . . . . 4346 1 105 . 1 1 7 7 G C2' C 13 79.2 0.2 . 1 . . . . . . . . 4346 1 106 . 1 1 7 7 G C3' C 13 75.9 0.2 . 1 . . . . . . . . 4346 1 107 . 1 1 7 7 G C4' C 13 87.1 0.2 . 1 . . . . . . . . 4346 1 108 . 1 1 8 8 A H2 H 1 8.00 0.02 . 1 . . . . . . . . 4346 1 109 . 1 1 8 8 A H8 H 1 8.10 0.02 . 9 . . . . . . . . 4346 1 110 . 1 1 8 8 A C2 C 13 154.9 0.2 . 1 . . . . . . . . 4346 1 111 . 1 1 8 8 A C8 C 13 141.4 0.2 . 9 . . . . . . . . 4346 1 112 . 1 1 8 8 A H1' H 1 5.76 0.02 . 1 . . . . . . . . 4346 1 113 . 1 1 8 8 A H2' H 1 4.15 0.02 . 1 . . . . . . . . 4346 1 114 . 1 1 8 8 A H3' H 1 4.52 0.02 . 1 . . . . . . . . 4346 1 115 . 1 1 8 8 A H4' H 1 4.63 0.02 . 1 . . . . . . . . 4346 1 116 . 1 1 8 8 A C1' C 13 93.8 0.2 . 9 . . . . . . . . 4346 1 117 . 1 1 8 8 A C2' C 13 75.9 0.2 . 9 . . . . . . . . 4346 1 118 . 1 1 8 8 A C3' C 13 73.0 0.2 . 9 . . . . . . . . 4346 1 119 . 1 1 8 8 A C4' C 13 82.2 0.2 . 9 . . . . . . . . 4346 1 120 . 1 1 9 9 G H1 H 1 12.96 0.02 . 1 . . . . . . . . 4346 1 121 . 1 1 9 9 G H8 H 1 8.06 0.02 . 1 . . . . . . . . 4346 1 122 . 1 1 9 9 G C8 C 13 138.3 0.2 . 1 . . . . . . . . 4346 1 123 . 1 1 9 9 G N1 N 15 147.4 0.2 . 1 . . . . . . . . 4346 1 124 . 1 1 9 9 G H1' H 1 5.99 0.02 . 1 . . . . . . . . 4346 1 125 . 1 1 9 9 G H2' H 1 4.90 0.02 . 1 . . . . . . . . 4346 1 126 . 1 1 9 9 G H3' H 1 4.32 0.02 . 1 . . . . . . . . 4346 1 127 . 1 1 9 9 G C1' C 13 92.3 0.2 . 1 . . . . . . . . 4346 1 128 . 1 1 9 9 G C2' C 13 75.5 0.2 . 1 . . . . . . . . 4346 1 129 . 1 1 9 9 G C3' C 13 70.5 0.2 . 1 . . . . . . . . 4346 1 130 . 1 1 10 10 U H3 H 1 11.93 0.02 . 1 . . . . . . . . 4346 1 131 . 1 1 10 10 U H6 H 1 7.89 0.02 . 1 . . . . . . . . 4346 1 132 . 1 1 10 10 U C5 C 13 104.5 0.2 . 1 . . . . . . . . 4346 1 133 . 1 1 10 10 U C6 C 13 141.4 0.2 . 1 . . . . . . . . 4346 1 134 . 1 1 10 10 U N3 N 15 158.5 0.2 . 1 . . . . . . . . 4346 1 135 . 1 1 10 10 U H1' H 1 5.49 0.02 . 1 . . . . . . . . 4346 1 136 . 1 1 10 10 U H2' H 1 4.46 0.02 . 1 . . . . . . . . 4346 1 137 . 1 1 10 10 U H3' H 1 4.42 0.02 . 1 . . . . . . . . 4346 1 138 . 1 1 10 10 U H4' H 1 4.39 0.02 . 1 . . . . . . . . 4346 1 139 . 1 1 10 10 U H5' H 1 4.26 0.02 . 2 . . . . . . . . 4346 1 140 . 1 1 10 10 U H5'' H 1 4.32 0.02 . 2 . . . . . . . . 4346 1 141 . 1 1 10 10 U C1' C 13 94.3 0.2 . 1 . . . . . . . . 4346 1 142 . 1 1 10 10 U C2' C 13 75.9 0.2 . 1 . . . . . . . . 4346 1 143 . 1 1 10 10 U C3' C 13 72.7 0.2 . 1 . . . . . . . . 4346 1 144 . 1 1 10 10 U C4' C 13 82.3 0.2 . 1 . . . . . . . . 4346 1 145 . 1 1 10 10 U C5' C 13 67.9 0.2 . 1 . . . . . . . . 4346 1 146 . 1 1 11 11 G H1 H 1 12.79 0.02 . 1 . . . . . . . . 4346 1 147 . 1 1 11 11 G H8 H 1 7.91 0.02 . 1 . . . . . . . . 4346 1 148 . 1 1 11 11 G C8 C 13 137.7 0.2 . 1 . . . . . . . . 4346 1 149 . 1 1 11 11 G N1 N 15 147.4 0.2 . 1 . . . . . . . . 4346 1 150 . 1 1 11 11 G H1' H 1 5.84 0.02 . 1 . . . . . . . . 4346 1 151 . 1 1 11 11 G H2' H 1 4.52 0.02 . 1 . . . . . . . . 4346 1 152 . 1 1 11 11 G H3' H 1 4.59 0.02 . 1 . . . . . . . . 4346 1 153 . 1 1 11 11 G H4' H 1 4.55 0.02 . 1 . . . . . . . . 4346 1 154 . 1 1 11 11 G H5' H 1 4.40 0.02 . 2 . . . . . . . . 4346 1 155 . 1 1 11 11 G H5'' H 1 4.08 0.02 . 2 . . . . . . . . 4346 1 156 . 1 1 11 11 G C1' C 13 93.3 0.2 . 1 . . . . . . . . 4346 1 157 . 1 1 11 11 G C2' C 13 75.7 0.2 . 1 . . . . . . . . 4346 1 158 . 1 1 11 11 G C3' C 13 73.6 0.2 . 1 . . . . . . . . 4346 1 159 . 1 1 11 11 G C4' C 13 82.7 0.2 . 1 . . . . . . . . 4346 1 160 . 1 1 11 11 G C5' C 13 67.4 0.2 . 1 . . . . . . . . 4346 1 161 . 1 1 12 12 U H3 H 1 14.36 0.02 . 1 . . . . . . . . 4346 1 162 . 1 1 12 12 U H5 H 1 5.15 0.02 . 1 . . . . . . . . 4346 1 163 . 1 1 12 12 U H6 H 1 7.80 0.02 . 1 . . . . . . . . 4346 1 164 . 1 1 12 12 U C5 C 13 103.0 0.2 . 1 . . . . . . . . 4346 1 165 . 1 1 12 12 U C6 C 13 142.3 0.2 . 1 . . . . . . . . 4346 1 166 . 1 1 12 12 U N3 N 15 162.4 0.2 . 1 . . . . . . . . 4346 1 167 . 1 1 12 12 U H1' H 1 5.58 0.02 . 1 . . . . . . . . 4346 1 168 . 1 1 12 12 U H2' H 1 4.51 0.02 . 1 . . . . . . . . 4346 1 169 . 1 1 12 12 U H3' H 1 4.43 0.02 . 1 . . . . . . . . 4346 1 170 . 1 1 12 12 U H4' H 1 4.44 0.02 . 1 . . . . . . . . 4346 1 171 . 1 1 12 12 U H5' H 1 4.15 0.02 . 2 . . . . . . . . 4346 1 172 . 1 1 12 12 U H5'' H 1 4.54 0.02 . 2 . . . . . . . . 4346 1 173 . 1 1 12 12 U C1' C 13 94.5 0.2 . 1 . . . . . . . . 4346 1 174 . 1 1 12 12 U C2' C 13 76.0 0.2 . 1 . . . . . . . . 4346 1 175 . 1 1 12 12 U C3' C 13 73.1 0.2 . 1 . . . . . . . . 4346 1 176 . 1 1 12 12 U C4' C 13 82.3 0.2 . 1 . . . . . . . . 4346 1 177 . 1 1 12 12 U C5' C 13 65.3 0.2 . 1 . . . . . . . . 4346 1 178 . 1 1 13 13 C H41 H 1 8.28 0.02 . 2 . . . . . . . . 4346 1 179 . 1 1 13 13 C H42 H 1 6.88 0.02 . 2 . . . . . . . . 4346 1 180 . 1 1 13 13 C H5 H 1 5.56 0.02 . 1 . . . . . . . . 4346 1 181 . 1 1 13 13 C H6 H 1 7.68 0.02 . 1 . . . . . . . . 4346 1 182 . 1 1 13 13 C C5 C 13 98.4 0.2 . 1 . . . . . . . . 4346 1 183 . 1 1 13 13 C C6 C 13 141.2 0.2 . 1 . . . . . . . . 4346 1 184 . 1 1 13 13 C N4 N 15 97.9 0.2 . 1 . . . . . . . . 4346 1 185 . 1 1 13 13 C H1' H 1 5.61 0.02 . 1 . . . . . . . . 4346 1 186 . 1 1 13 13 C H2' H 1 4.30 0.02 . 1 . . . . . . . . 4346 1 187 . 1 1 13 13 C H3' H 1 4.50 0.02 . 1 . . . . . . . . 4346 1 188 . 1 1 13 13 C H4' H 1 4.47 0.02 . 1 . . . . . . . . 4346 1 189 . 1 1 13 13 C H5' H 1 4.11 0.02 . 2 . . . . . . . . 4346 1 190 . 1 1 13 13 C H5'' H 1 4.57 0.02 . 2 . . . . . . . . 4346 1 191 . 1 1 13 13 C C1' C 13 94.7 0.2 . 1 . . . . . . . . 4346 1 192 . 1 1 13 13 C C2' C 13 76.0 0.2 . 1 . . . . . . . . 4346 1 193 . 1 1 13 13 C C3' C 13 72.6 0.2 . 1 . . . . . . . . 4346 1 194 . 1 1 13 13 C C4' C 13 82.4 0.2 . 1 . . . . . . . . 4346 1 195 . 1 1 13 13 C C5' C 13 64.9 0.2 . 1 . . . . . . . . 4346 1 196 . 1 1 14 14 G H1 H 1 10.74 0.02 . 1 . . . . . . . . 4346 1 197 . 1 1 14 14 G H8 H 1 7.70 0.02 . 1 . . . . . . . . 4346 1 198 . 1 1 14 14 G C8 C 13 137.0 0.2 . 1 . . . . . . . . 4346 1 199 . 1 1 14 14 G N1 N 15 146.0 0.2 . 1 . . . . . . . . 4346 1 200 . 1 1 14 14 G H1' H 1 5.62 0.02 . 1 . . . . . . . . 4346 1 201 . 1 1 14 14 G H2' H 1 4.56 0.02 . 1 . . . . . . . . 4346 1 202 . 1 1 14 14 G H3' H 1 4.68 0.02 . 1 . . . . . . . . 4346 1 203 . 1 1 14 14 G H4' H 1 4.43 0.02 . 1 . . . . . . . . 4346 1 204 . 1 1 14 14 G H5' H 1 4.43 0.02 . 2 . . . . . . . . 4346 1 205 . 1 1 14 14 G H5'' H 1 4.12 0.02 . 2 . . . . . . . . 4346 1 206 . 1 1 14 14 G C1' C 13 92.4 0.2 . 1 . . . . . . . . 4346 1 207 . 1 1 14 14 G C2' C 13 76.7 0.2 . 1 . . . . . . . . 4346 1 208 . 1 1 14 14 G C3' C 13 74.9 0.2 . 1 . . . . . . . . 4346 1 209 . 1 1 14 14 G C4' C 13 83.2 0.2 . 1 . . . . . . . . 4346 1 210 . 1 1 14 14 G C5' C 13 65.9 0.2 . 1 . . . . . . . . 4346 1 211 . 1 1 15 15 C H41 H 1 7.21 0.02 . 1 . . . . . . . . 4346 1 212 . 1 1 15 15 C H5 H 1 5.75 0.02 . 1 . . . . . . . . 4346 1 213 . 1 1 15 15 C H6 H 1 7.82 0.02 . 1 . . . . . . . . 4346 1 214 . 1 1 15 15 C C5 C 13 98.6 0.2 . 1 . . . . . . . . 4346 1 215 . 1 1 15 15 C C6 C 13 144.5 0.2 . 1 . . . . . . . . 4346 1 216 . 1 1 15 15 C N4 N 15 97.1 0.2 . 1 . . . . . . . . 4346 1 217 . 1 1 15 15 C H1' H 1 5.70 0.02 . 1 . . . . . . . . 4346 1 218 . 1 1 15 15 C H2' H 1 4.40 0.02 . 1 . . . . . . . . 4346 1 219 . 1 1 15 15 C H3' H 1 4.30 0.02 . 1 . . . . . . . . 4346 1 220 . 1 1 15 15 C H4' H 1 4.15 0.02 . 1 . . . . . . . . 4346 1 221 . 1 1 15 15 C H5' H 1 4.15 0.02 . 2 . . . . . . . . 4346 1 222 . 1 1 15 15 C H5'' H 1 3.98 0.02 . 2 . . . . . . . . 4346 1 223 . 1 1 15 15 C C1' C 13 92.0 0.2 . 1 . . . . . . . . 4346 1 224 . 1 1 15 15 C C2' C 13 76.4 0.2 . 1 . . . . . . . . 4346 1 225 . 1 1 15 15 C C3' C 13 76.0 0.2 . 1 . . . . . . . . 4346 1 226 . 1 1 15 15 C C4' C 13 84.2 0.2 . 1 . . . . . . . . 4346 1 227 . 1 1 15 15 C C5' C 13 66.6 0.2 . 1 . . . . . . . . 4346 1 228 . 1 1 16 16 A H2 H 1 7.90 0.02 . 1 . . . . . . . . 4346 1 229 . 1 1 16 16 A H8 H 1 8.02 0.02 . 1 . . . . . . . . 4346 1 230 . 1 1 16 16 A C2 C 13 155.0 0.2 . 1 . . . . . . . . 4346 1 231 . 1 1 16 16 A C8 C 13 141.1 0.2 . 1 . . . . . . . . 4346 1 232 . 1 1 16 16 A H1' H 1 5.63 0.02 . 1 . . . . . . . . 4346 1 233 . 1 1 16 16 A H2' H 1 4.37 0.02 . 1 . . . . . . . . 4346 1 234 . 1 1 16 16 A H3' H 1 4.57 0.02 . 1 . . . . . . . . 4346 1 235 . 1 1 16 16 A H4' H 1 4.22 0.02 . 1 . . . . . . . . 4346 1 236 . 1 1 16 16 A H5' H 1 3.77 0.02 . 2 . . . . . . . . 4346 1 237 . 1 1 16 16 A H5'' H 1 3.88 0.02 . 2 . . . . . . . . 4346 1 238 . 1 1 16 16 A C1' C 13 91.7 0.2 . 1 . . . . . . . . 4346 1 239 . 1 1 16 16 A C2' C 13 77.5 0.2 . 1 . . . . . . . . 4346 1 240 . 1 1 16 16 A C3' C 13 76.6 0.2 . 1 . . . . . . . . 4346 1 241 . 1 1 16 16 A C4' C 13 84.4 0.2 . 1 . . . . . . . . 4346 1 242 . 1 1 16 16 A C5' C 13 66.9 0.2 . 1 . . . . . . . . 4346 1 243 . 1 1 17 17 A H2 H 1 8.10 0.02 . 1 . . . . . . . . 4346 1 244 . 1 1 17 17 A H8 H 1 8.28 0.02 . 1 . . . . . . . . 4346 1 245 . 1 1 17 17 A C2 C 13 155.3 0.2 . 1 . . . . . . . . 4346 1 246 . 1 1 17 17 A C8 C 13 142.9 0.2 . 1 . . . . . . . . 4346 1 247 . 1 1 17 17 A H1' H 1 6.10 0.02 . 1 . . . . . . . . 4346 1 248 . 1 1 17 17 A H2' H 1 4.73 0.02 . 1 . . . . . . . . 4346 1 249 . 1 1 17 17 A H3' H 1 5.41 0.02 . 1 . . . . . . . . 4346 1 250 . 1 1 17 17 A H4' H 1 4.54 0.02 . 1 . . . . . . . . 4346 1 251 . 1 1 17 17 A H5' H 1 4.44 0.02 . 2 . . . . . . . . 4346 1 252 . 1 1 17 17 A H5'' H 1 4.53 0.02 . 2 . . . . . . . . 4346 1 253 . 1 1 17 17 A C1' C 13 92.8 0.2 . 1 . . . . . . . . 4346 1 254 . 1 1 17 17 A C2' C 13 77.4 0.2 . 1 . . . . . . . . 4346 1 255 . 1 1 17 17 A C3' C 13 75.5 0.2 . 1 . . . . . . . . 4346 1 256 . 1 1 17 17 A C4' C 13 83.6 0.2 . 1 . . . . . . . . 4346 1 257 . 1 1 17 17 A C5' C 13 67.4 0.2 . 1 . . . . . . . . 4346 1 258 . 1 1 18 18 G H1 H 1 12.35 0.02 . 1 . . . . . . . . 4346 1 259 . 1 1 18 18 G H8 H 1 7.82 0.02 . 1 . . . . . . . . 4346 1 260 . 1 1 18 18 G C8 C 13 137.9 0.2 . 1 . . . . . . . . 4346 1 261 . 1 1 18 18 G N1 N 15 146.6 0.2 . 1 . . . . . . . . 4346 1 262 . 1 1 18 18 G H1' H 1 4.00 0.02 . 1 . . . . . . . . 4346 1 263 . 1 1 18 18 G H2' H 1 4.42 0.02 . 1 . . . . . . . . 4346 1 264 . 1 1 18 18 G H3' H 1 4.30 0.02 . 1 . . . . . . . . 4346 1 265 . 1 1 18 18 G H4' H 1 4.40 0.02 . 1 . . . . . . . . 4346 1 266 . 1 1 18 18 G H5' H 1 4.41 0.02 . 2 . . . . . . . . 4346 1 267 . 1 1 18 18 G H5'' H 1 4.31 0.02 . 2 . . . . . . . . 4346 1 268 . 1 1 18 18 G C1' C 13 92.9 0.2 . 1 . . . . . . . . 4346 1 269 . 1 1 18 18 G C2' C 13 75.4 0.2 . 1 . . . . . . . . 4346 1 270 . 1 1 18 18 G C3' C 13 74.8 0.2 . 1 . . . . . . . . 4346 1 271 . 1 1 18 18 G C4' C 13 83.3 0.2 . 1 . . . . . . . . 4346 1 272 . 1 1 18 18 G C5' C 13 70.1 0.2 . 1 . . . . . . . . 4346 1 273 . 1 1 19 19 A H2 H 1 7.78 0.02 . 1 . . . . . . . . 4346 1 274 . 1 1 19 19 A H8 H 1 7.81 0.02 . 1 . . . . . . . . 4346 1 275 . 1 1 19 19 A C2 C 13 154.2 0.2 . 1 . . . . . . . . 4346 1 276 . 1 1 19 19 A C8 C 13 139.9 0.2 . 1 . . . . . . . . 4346 1 277 . 1 1 19 19 A H1' H 1 6.02 0.02 . 1 . . . . . . . . 4346 1 278 . 1 1 19 19 A H2' H 1 4.47 0.02 . 1 . . . . . . . . 4346 1 279 . 1 1 19 19 A H3' H 1 4.64 0.02 . 1 . . . . . . . . 4346 1 280 . 1 1 19 19 A H4' H 1 4.47 0.02 . 1 . . . . . . . . 4346 1 281 . 1 1 19 19 A H5' H 1 4.13 0.02 . 2 . . . . . . . . 4346 1 282 . 1 1 19 19 A H5'' H 1 4.56 0.02 . 2 . . . . . . . . 4346 1 283 . 1 1 19 19 A C1' C 13 93.3 0.2 . 1 . . . . . . . . 4346 1 284 . 1 1 19 19 A C2' C 13 76.1 0.2 . 1 . . . . . . . . 4346 1 285 . 1 1 19 19 A C3' C 13 72.7 0.2 . 1 . . . . . . . . 4346 1 286 . 1 1 19 19 A C4' C 13 82.6 0.2 . 1 . . . . . . . . 4346 1 287 . 1 1 19 19 A C5' C 13 64.9 0.2 . 1 . . . . . . . . 4346 1 288 . 1 1 20 20 C H41 H 1 8.45 0.02 . 2 . . . . . . . . 4346 1 289 . 1 1 20 20 C H42 H 1 6.95 0.02 . 2 . . . . . . . . 4346 1 290 . 1 1 20 20 C H5 H 1 5.22 0.02 . 1 . . . . . . . . 4346 1 291 . 1 1 20 20 C H6 H 1 7.40 0.02 . 1 . . . . . . . . 4346 1 292 . 1 1 20 20 C C5 C 13 97.8 0.2 . 1 . . . . . . . . 4346 1 293 . 1 1 20 20 C C6 C 13 141.0 0.2 . 1 . . . . . . . . 4346 1 294 . 1 1 20 20 C N4 N 15 98.3 0.2 . 1 . . . . . . . . 4346 1 295 . 1 1 20 20 C H1' H 1 5.51 0.02 . 1 . . . . . . . . 4346 1 296 . 1 1 20 20 C H2' H 1 4.41 0.02 . 1 . . . . . . . . 4346 1 297 . 1 1 20 20 C H3' H 1 4.40 0.02 . 1 . . . . . . . . 4346 1 298 . 1 1 20 20 C H4' H 1 4.41 0.02 . 1 . . . . . . . . 4346 1 299 . 1 1 20 20 C H5' H 1 4.07 0.02 . 2 . . . . . . . . 4346 1 300 . 1 1 20 20 C H5'' H 1 4.51 0.02 . 2 . . . . . . . . 4346 1 301 . 1 1 20 20 C C1' C 13 93.6 0.2 . 1 . . . . . . . . 4346 1 302 . 1 1 20 20 C C2' C 13 76.4 0.2 . 1 . . . . . . . . 4346 1 303 . 1 1 20 20 C C3' C 13 73.1 0.2 . 1 . . . . . . . . 4346 1 304 . 1 1 20 20 C C4' C 13 82.1 0.2 . 1 . . . . . . . . 4346 1 305 . 1 1 20 20 C C5' C 13 65.3 0.2 . 1 . . . . . . . . 4346 1 306 . 1 1 21 21 G H1 H 1 11.14 0.02 . 1 . . . . . . . . 4346 1 307 . 1 1 21 21 G H21 H 1 6.43 0.02 . 1 . . . . . . . . 4346 1 308 . 1 1 21 21 G H22 H 1 6.43 0.02 . 1 . . . . . . . . 4346 1 309 . 1 1 21 21 G H8 H 1 7.54 0.02 . 1 . . . . . . . . 4346 1 310 . 1 1 21 21 G C8 C 13 137.6 0.2 . 1 . . . . . . . . 4346 1 311 . 1 1 21 21 G N1 N 15 143.9 0.2 . 1 . . . . . . . . 4346 1 312 . 1 1 21 21 G N2 N 15 72.9 0.2 . 1 . . . . . . . . 4346 1 313 . 1 1 21 21 G H1' H 1 5.73 0.02 . 1 . . . . . . . . 4346 1 314 . 1 1 21 21 G H2' H 1 4.65 0.02 . 1 . . . . . . . . 4346 1 315 . 1 1 21 21 G H3' H 1 4.28 0.02 . 1 . . . . . . . . 4346 1 316 . 1 1 21 21 G H4' H 1 4.52 0.02 . 1 . . . . . . . . 4346 1 317 . 1 1 21 21 G H5' H 1 4.08 0.02 . 2 . . . . . . . . 4346 1 318 . 1 1 21 21 G H5'' H 1 4.41 0.02 . 2 . . . . . . . . 4346 1 319 . 1 1 21 21 G C1' C 13 94.0 0.2 . 1 . . . . . . . . 4346 1 320 . 1 1 21 21 G C2' C 13 75.6 0.2 . 1 . . . . . . . . 4346 1 321 . 1 1 21 21 G C3' C 13 74.1 0.2 . 1 . . . . . . . . 4346 1 322 . 1 1 21 21 G C4' C 13 83.1 0.2 . 1 . . . . . . . . 4346 1 323 . 1 1 21 21 G C5' C 13 64.8 0.2 . 1 . . . . . . . . 4346 1 324 . 1 1 22 22 C H41 H 1 8.10 0.02 . 2 . . . . . . . . 4346 1 325 . 1 1 22 22 C H42 H 1 7.13 0.02 . 2 . . . . . . . . 4346 1 326 . 1 1 22 22 C H5 H 1 5.25 0.02 . 1 . . . . . . . . 4346 1 327 . 1 1 22 22 C H6 H 1 7.54 0.02 . 1 . . . . . . . . 4346 1 328 . 1 1 22 22 C C5 C 13 97.7 0.2 . 1 . . . . . . . . 4346 1 329 . 1 1 22 22 C C6 C 13 140.5 0.2 . 1 . . . . . . . . 4346 1 330 . 1 1 22 22 C N4 N 15 98.8 0.2 . 1 . . . . . . . . 4346 1 331 . 1 1 22 22 C H1' H 1 5.57 0.02 . 1 . . . . . . . . 4346 1 332 . 1 1 22 22 C H2' H 1 4.47 0.02 . 1 . . . . . . . . 4346 1 333 . 1 1 22 22 C H3' H 1 4.52 0.02 . 1 . . . . . . . . 4346 1 334 . 1 1 22 22 C H4' H 1 4.47 0.02 . 1 . . . . . . . . 4346 1 335 . 1 1 22 22 C H5' H 1 4.11 0.02 . 2 . . . . . . . . 4346 1 336 . 1 1 22 22 C H5'' H 1 4.52 0.02 . 2 . . . . . . . . 4346 1 337 . 1 1 22 22 C C1' C 13 94.2 0.2 . 1 . . . . . . . . 4346 1 338 . 1 1 22 22 C C2' C 13 75.7 0.2 . 1 . . . . . . . . 4346 1 339 . 1 1 22 22 C C3' C 13 72.0 0.2 . 1 . . . . . . . . 4346 1 340 . 1 1 22 22 C C4' C 13 82.5 0.2 . 1 . . . . . . . . 4346 1 341 . 1 1 22 22 C C5' C 13 64.8 0.2 . 1 . . . . . . . . 4346 1 342 . 1 1 23 23 A H8 H 1 7.91 0.02 . 1 . . . . . . . . 4346 1 343 . 1 1 23 23 A C8 C 13 139.7 0.2 . 1 . . . . . . . . 4346 1 344 . 1 1 23 23 A H1' H 1 5.94 0.02 . 1 . . . . . . . . 4346 1 345 . 1 1 23 23 A H2' H 1 4.78 0.02 . 1 . . . . . . . . 4346 1 346 . 1 1 23 23 A C1' C 13 93.8 0.2 . 1 . . . . . . . . 4346 1 347 . 1 1 23 23 A C2' C 13 76.3 0.2 . 1 . . . . . . . . 4346 1 348 . 1 1 24 24 G H1 H 1 10.99 0.02 . 9 . . . . . . . . 4346 1 349 . 1 1 24 24 G H8 H 1 7.24 0.02 . 1 . . . . . . . . 4346 1 350 . 1 1 24 24 G C8 C 13 140.8 0.2 . 1 . . . . . . . . 4346 1 351 . 1 1 24 24 G N1 N 15 144.0 0.2 . 1 . . . . . . . . 4346 1 352 . 1 1 24 24 G H1' H 1 4.89 0.02 . 1 . . . . . . . . 4346 1 353 . 1 1 24 24 G H2' H 1 4.50 0.02 . 1 . . . . . . . . 4346 1 354 . 1 1 24 24 G H3' H 1 4.68 0.02 . 1 . . . . . . . . 4346 1 355 . 1 1 24 24 G H4' H 1 4.15 0.02 . 1 . . . . . . . . 4346 1 356 . 1 1 24 24 G H5' H 1 4.08 0.02 . 2 . . . . . . . . 4346 1 357 . 1 1 24 24 G H5'' H 1 4.49 0.02 . 2 . . . . . . . . 4346 1 358 . 1 1 24 24 G C1' C 13 90.8 0.2 . 1 . . . . . . . . 4346 1 359 . 1 1 24 24 G C2' C 13 77.8 0.2 . 1 . . . . . . . . 4346 1 360 . 1 1 24 24 G C3' C 13 75.8 0.2 . 1 . . . . . . . . 4346 1 361 . 1 1 24 24 G C5' C 13 68.0 0.2 . 1 . . . . . . . . 4346 1 362 . 1 1 25 25 A H8 H 1 8.35 0.02 . 9 . . . . . . . . 4346 1 363 . 1 1 25 25 A C8 C 13 143.1 0.2 . 9 . . . . . . . . 4346 1 364 . 1 1 25 25 A H1' H 1 6.04 0.02 . 1 . . . . . . . . 4346 1 365 . 1 1 25 25 A H2' H 1 4.91 0.02 . 1 . . . . . . . . 4346 1 366 . 1 1 25 25 A H3' H 1 4.70 0.02 . 1 . . . . . . . . 4346 1 367 . 1 1 25 25 A H4' H 1 4.58 0.02 . 9 . . . . . . . . 4346 1 368 . 1 1 25 25 A H5' H 1 4.31 0.02 . 9 . . . . . . . . 4346 1 369 . 1 1 25 25 A C1' C 13 89.3 0.2 . 1 . . . . . . . . 4346 1 370 . 1 1 26 26 G H8 H 1 8.15 0.02 . 1 . . . . . . . . 4346 1 371 . 1 1 26 26 G C8 C 13 139.6 0.2 . 1 . . . . . . . . 4346 1 372 . 1 1 26 26 G H1' H 1 5.99 0.02 . 1 . . . . . . . . 4346 1 373 . 1 1 26 26 G H2' H 1 5.04 0.02 . 1 . . . . . . . . 4346 1 374 . 1 1 26 26 G H3' H 1 5.01 0.02 . 1 . . . . . . . . 4346 1 375 . 1 1 26 26 G H4' H 1 4.31 0.02 . 9 . . . . . . . . 4346 1 376 . 1 1 26 26 G C1' C 13 87.5 0.2 . 1 . . . . . . . . 4346 1 377 . 1 1 26 26 G C2' C 13 76.8 0.2 . 1 . . . . . . . . 4346 1 378 . 1 1 26 26 G C3' C 13 75.0 0.2 . 1 . . . . . . . . 4346 1 379 . 1 1 27 27 A H8 H 1 8.17 0.02 . 9 . . . . . . . . 4346 1 380 . 1 1 27 27 A C8 C 13 141.6 0.2 . 9 . . . . . . . . 4346 1 381 . 1 1 27 27 A H1' H 1 5.77 0.02 . 9 . . . . . . . . 4346 1 382 . 1 1 27 27 A H2' H 1 4.49 0.02 . 9 . . . . . . . . 4346 1 383 . 1 1 27 27 A H3' H 1 4.73 0.02 . 9 . . . . . . . . 4346 1 384 . 1 1 27 27 A C1' C 13 93.9 0.2 . 9 . . . . . . . . 4346 1 385 . 1 1 27 27 A C2' C 13 76.5 0.2 . 9 . . . . . . . . 4346 1 386 . 1 1 27 27 A C3' C 13 73.3 0.2 . 9 . . . . . . . . 4346 1 387 . 1 1 28 28 U H3 H 1 11.79 0.02 . 1 . . . . . . . . 4346 1 388 . 1 1 28 28 U H5 H 1 4.90 0.02 . 9 . . . . . . . . 4346 1 389 . 1 1 28 28 U H6 H 1 7.50 0.02 . 9 . . . . . . . . 4346 1 390 . 1 1 28 28 U C6 C 13 141.8 0.2 . 9 . . . . . . . . 4346 1 391 . 1 1 28 28 U N3 N 15 158.4 0.2 . 1 . . . . . . . . 4346 1 392 . 1 1 28 28 U H1' H 1 5.69 0.02 . 1 . . . . . . . . 4346 1 393 . 1 1 28 28 U C1' C 13 93.0 0.2 . 9 . . . . . . . . 4346 1 394 . 1 1 29 29 G H1 H 1 12.69 0.02 . 1 . . . . . . . . 4346 1 395 . 1 1 29 29 G H8 H 1 7.82 0.02 . 1 . . . . . . . . 4346 1 396 . 1 1 29 29 G C8 C 13 137.9 0.2 . 1 . . . . . . . . 4346 1 397 . 1 1 29 29 G N1 N 15 146.7 0.2 . 1 . . . . . . . . 4346 1 398 . 1 1 29 29 G H1' H 1 5.57 0.02 . 1 . . . . . . . . 4346 1 399 . 1 1 29 29 G H2' H 1 4.76 0.02 . 1 . . . . . . . . 4346 1 400 . 1 1 29 29 G H3' H 1 4.55 0.02 . 1 . . . . . . . . 4346 1 401 . 1 1 29 29 G H4' H 1 4.50 0.02 . 1 . . . . . . . . 4346 1 402 . 1 1 29 29 G H5' H 1 4.30 0.02 . 2 . . . . . . . . 4346 1 403 . 1 1 29 29 G C1' C 13 94.2 0.2 . 1 . . . . . . . . 4346 1 404 . 1 1 29 29 G C2' C 13 75.3 0.2 . 1 . . . . . . . . 4346 1 405 . 1 1 29 29 G C3' C 13 74.0 0.2 . 1 . . . . . . . . 4346 1 406 . 1 1 29 29 G C4' C 13 83.0 0.2 . 1 . . . . . . . . 4346 1 407 . 1 1 29 29 G C5' C 13 68.6 0.2 . 1 . . . . . . . . 4346 1 408 . 1 1 30 30 G H1 H 1 13.34 0.02 . 1 . . . . . . . . 4346 1 409 . 1 1 30 30 G H8 H 1 7.31 0.02 . 1 . . . . . . . . 4346 1 410 . 1 1 30 30 G C8 C 13 136.7 0.2 . 1 . . . . . . . . 4346 1 411 . 1 1 30 30 G N1 N 15 148.2 0.2 . 1 . . . . . . . . 4346 1 412 . 1 1 30 30 G H1' H 1 5.81 0.02 . 1 . . . . . . . . 4346 1 413 . 1 1 30 30 G H2' H 1 4.53 0.02 . 1 . . . . . . . . 4346 1 414 . 1 1 30 30 G H3' H 1 4.56 0.02 . 1 . . . . . . . . 4346 1 415 . 1 1 30 30 G H4' H 1 4.51 0.02 . 1 . . . . . . . . 4346 1 416 . 1 1 30 30 G H5' H 1 4.54 0.02 . 2 . . . . . . . . 4346 1 417 . 1 1 30 30 G H5'' H 1 4.11 0.02 . 2 . . . . . . . . 4346 1 418 . 1 1 30 30 G C1' C 13 93.6 0.2 . 1 . . . . . . . . 4346 1 419 . 1 1 30 30 G C2' C 13 75.8 0.2 . 1 . . . . . . . . 4346 1 420 . 1 1 30 30 G C3' C 13 72.9 0.2 . 1 . . . . . . . . 4346 1 421 . 1 1 30 30 G C4' C 13 82.6 0.2 . 1 . . . . . . . . 4346 1 422 . 1 1 30 30 G C5' C 13 65.1 0.2 . 1 . . . . . . . . 4346 1 423 . 1 1 31 31 U H3 H 1 14.47 0.02 . 1 . . . . . . . . 4346 1 424 . 1 1 31 31 U H5 H 1 5.12 0.02 . 1 . . . . . . . . 4346 1 425 . 1 1 31 31 U H6 H 1 7.78 0.02 . 1 . . . . . . . . 4346 1 426 . 1 1 31 31 U C5 C 13 102.9 0.2 . 1 . . . . . . . . 4346 1 427 . 1 1 31 31 U C6 C 13 142.3 0.2 . 1 . . . . . . . . 4346 1 428 . 1 1 31 31 U N3 N 15 162.5 0.2 . 1 . . . . . . . . 4346 1 429 . 1 1 31 31 U H1' H 1 5.62 0.02 . 1 . . . . . . . . 4346 1 430 . 1 1 31 31 U H2' H 1 4.57 0.02 . 1 . . . . . . . . 4346 1 431 . 1 1 31 31 U H3' H 1 4.51 0.02 . 1 . . . . . . . . 4346 1 432 . 1 1 31 31 U H4' H 1 4.46 0.02 . 1 . . . . . . . . 4346 1 433 . 1 1 31 31 U H5' H 1 4.13 0.02 . 2 . . . . . . . . 4346 1 434 . 1 1 31 31 U H5'' H 1 4.44 0.02 . 2 . . . . . . . . 4346 1 435 . 1 1 31 31 U C1' C 13 94.3 0.2 . 1 . . . . . . . . 4346 1 436 . 1 1 31 31 U C2' C 13 75.6 0.2 . 1 . . . . . . . . 4346 1 437 . 1 1 31 31 U C3' C 13 72.7 0.2 . 1 . . . . . . . . 4346 1 438 . 1 1 31 31 U C4' C 13 82.2 0.2 . 1 . . . . . . . . 4346 1 439 . 1 1 31 31 U C5' C 13 65.3 0.2 . 1 . . . . . . . . 4346 1 440 . 1 1 32 32 C H41 H 1 8.64 0.02 . 2 . . . . . . . . 4346 1 441 . 1 1 32 32 C H42 H 1 7.13 0.02 . 2 . . . . . . . . 4346 1 442 . 1 1 32 32 C H5 H 1 5.72 0.02 . 1 . . . . . . . . 4346 1 443 . 1 1 32 32 C H6 H 1 7.92 0.02 . 1 . . . . . . . . 4346 1 444 . 1 1 32 32 C C5 C 13 98.1 0.2 . 1 . . . . . . . . 4346 1 445 . 1 1 32 32 C C6 C 13 142.3 0.2 . 1 . . . . . . . . 4346 1 446 . 1 1 32 32 C N4 N 15 98.2 0.2 . 1 . . . . . . . . 4346 1 447 . 1 1 32 32 C H1' H 1 5.64 0.02 . 1 . . . . . . . . 4346 1 448 . 1 1 32 32 C H2' H 1 4.40 0.02 . 1 . . . . . . . . 4346 1 449 . 1 1 32 32 C H3' H 1 4.68 0.02 . 1 . . . . . . . . 4346 1 450 . 1 1 32 32 C H4' H 1 4.48 0.02 . 1 . . . . . . . . 4346 1 451 . 1 1 32 32 C H5' H 1 4.15 0.02 . 2 . . . . . . . . 4346 1 452 . 1 1 32 32 C H5'' H 1 4.52 0.02 . 2 . . . . . . . . 4346 1 453 . 1 1 32 32 C C1' C 13 94.3 0.2 . 1 . . . . . . . . 4346 1 454 . 1 1 32 32 C C2' C 13 76.8 0.2 . 1 . . . . . . . . 4346 1 455 . 1 1 32 32 C C3' C 13 74.5 0.2 . 1 . . . . . . . . 4346 1 456 . 1 1 32 32 C C4' C 13 83.0 0.2 . 1 . . . . . . . . 4346 1 457 . 1 1 32 32 C C5' C 13 64.6 0.2 . 1 . . . . . . . . 4346 1 458 . 1 1 33 33 C H5 H 1 5.60 0.02 . 1 . . . . . . . . 4346 1 459 . 1 1 33 33 C H6 H 1 7.72 0.02 . 1 . . . . . . . . 4346 1 460 . 1 1 33 33 C C5 C 13 98.7 0.2 . 1 . . . . . . . . 4346 1 461 . 1 1 33 33 C C6 C 13 142.3 0.2 . 1 . . . . . . . . 4346 1 462 . 1 1 33 33 C H1' H 1 5.78 0.02 . 1 . . . . . . . . 4346 1 463 . 1 1 33 33 C H2' H 1 4.03 0.02 . 1 . . . . . . . . 4346 1 464 . 1 1 33 33 C H3' H 1 4.20 0.02 . 1 . . . . . . . . 4346 1 465 . 1 1 33 33 C H4' H 1 4.20 0.02 . 1 . . . . . . . . 4346 1 466 . 1 1 33 33 C H5' H 1 4.06 0.02 . 2 . . . . . . . . 4346 1 467 . 1 1 33 33 C H5'' H 1 4.54 0.02 . 2 . . . . . . . . 4346 1 468 . 1 1 33 33 C C1' C 13 93.1 0.2 . 1 . . . . . . . . 4346 1 469 . 1 1 33 33 C C2' C 13 77.9 0.2 . 1 . . . . . . . . 4346 1 470 . 1 1 33 33 C C3' C 13 70.2 0.2 . 1 . . . . . . . . 4346 1 471 . 1 1 33 33 C C4' C 13 83.8 0.2 . 1 . . . . . . . . 4346 1 472 . 1 1 33 33 C C5' C 13 65.6 0.2 . 1 . . . . . . . . 4346 1 stop_ save_