data_52279 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52279 _Entry.Title ; 20a-Frag2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-01-23 _Entry.Accession_date 2024-01-23 _Entry.Last_release_date 2024-01-23 _Entry.Original_release_date 2024-01-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Yaping Liu . . . . 52279 2 Cade Harkner . T. . . 52279 3 Aldrex Munsayac . . . . 52279 4 Sarah Keane . C. . . 52279 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52279 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 44 52279 '1H chemical shifts' 161 52279 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 . . 2025-07-07 . original BMRB . 52279 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52278 20a-Frag1 52279 BMRB 52280 20a-Frag3 52279 BMRB 52281 20a-Frag4 52279 BMRB 52285 pre-miR-20a 52279 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52279 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 40609633 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural features within precursor microRNA-20a regulate Dicer-TRBP processing ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2025 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yaping Liu Y. . . . 52279 1 2 Cade Harkner C. T. . . 52279 1 3 Megan Westwood M. N. . . 52279 1 4 Aldrex Munsayac A. . . . 52279 1 5 Sarah Keane S. C. . . 52279 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52279 _Assembly.ID 1 _Assembly.Name 20a-Frag2 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 20a-Frag2 1 $entity_1 . . yes native no no . . . 52279 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52279 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GGAAGUGCUUAUAGUGAGAA UUAUGAGCACUUCC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 34 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1206 G . 52279 1 2 1207 G . 52279 1 3 490 A . 52279 1 4 491 A . 52279 1 5 492 G . 52279 1 6 493 U . 52279 1 7 494 G . 52279 1 8 495 C . 52279 1 9 496 U . 52279 1 10 497 U . 52279 1 11 498 A . 52279 1 12 499 U . 52279 1 13 500 A . 52279 1 14 501 G . 52279 1 15 502 U . 52279 1 16 1208 G . 52279 1 17 1209 A . 52279 1 18 1210 G . 52279 1 19 1211 A . 52279 1 20 540 A . 52279 1 21 541 U . 52279 1 22 542 U . 52279 1 23 543 A . 52279 1 24 544 U . 52279 1 25 545 G . 52279 1 26 546 A . 52279 1 27 547 G . 52279 1 28 548 C . 52279 1 29 549 A . 52279 1 30 550 C . 52279 1 31 551 U . 52279 1 32 552 U . 52279 1 33 1212 C . 52279 1 34 1213 C . 52279 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 52279 1 . G 2 2 52279 1 . A 3 3 52279 1 . A 4 4 52279 1 . G 5 5 52279 1 . U 6 6 52279 1 . G 7 7 52279 1 . C 8 8 52279 1 . U 9 9 52279 1 . U 10 10 52279 1 . A 11 11 52279 1 . U 12 12 52279 1 . A 13 13 52279 1 . G 14 14 52279 1 . U 15 15 52279 1 . G 16 16 52279 1 . A 17 17 52279 1 . G 18 18 52279 1 . A 19 19 52279 1 . A 20 20 52279 1 . U 21 21 52279 1 . U 22 22 52279 1 . A 23 23 52279 1 . U 24 24 52279 1 . G 25 25 52279 1 . A 26 26 52279 1 . G 27 27 52279 1 . C 28 28 52279 1 . A 29 29 52279 1 . C 30 30 52279 1 . U 31 31 52279 1 . U 32 32 52279 1 . C 33 33 52279 1 . C 34 34 52279 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52279 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52279 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52279 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'In vitro transcription' 'In vitro' . . . In vitro . . . . . . . . . . 52279 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52279 _Sample.ID 1 _Sample.Name 20a-Frag2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 20a-Frag2 'natural abundance' . . 1 $entity_1 . . 500 . . uM . . . . 52279 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 52279 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 52279 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'condition 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' 0.05 . M 52279 1 pH 7.5 . pH 52279 1 pressure 1 . atm 52279 1 temperature 310 . K 52279 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52279 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52279 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52279 _Software.ID 2 _Software.Type . _Software.Name 'NMRFx Analyst' _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52279 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52279 _Software.ID 3 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52279 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 52279 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52279 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-13C HMQC' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52279 1 2 '2D 1H-1H TOCSY' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52279 1 3 '2D 1H-1H NOESY' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52279 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D 1H-13C HMQC' miR-20a_Frag2_HMQC.zip . 'Time-domain (raw spectral data)' . . 52279 1 2 '2D 1H-1H TOCSY' miR-20a_Frag2_TOCSY.zip . 'Time-domain (raw spectral data)' . . 52279 1 3 '2D 1H-1H NOESY' miR-20a_Frag2_NOESY.zip . 'Time-domain (raw spectral data)' . . 52279 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52279 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name '20a-Frag2 reference' _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.703 na indirect . . . . . . 52279 1 H 1 water protons . . . . ppm 4.703 internal direct 1 . . . . . 52279 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52279 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 20a-Frag2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HMQC' . . . 52279 1 2 '2D 1H-1H TOCSY' . . . 52279 1 3 '2D 1H-1H NOESY' . . . 52279 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52279 1 2 $software_2 . . 52279 1 3 $software_3 . . 52279 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 H3' H 1 4.8236 0.0000 . 1 . . . . . 1206 G H3' . 52279 1 2 . 1 . 1 1 1 G H2' H 1 5.0211 0.0000 . 1 . . . . . 1206 G H2' . 52279 1 3 . 1 . 1 1 1 G H1' H 1 5.9122 0.0000 . 1 . . . . . 1206 G H1' . 52279 1 4 . 1 . 1 1 1 G C8 C 13 139.6372 0.0000 . 1 . . . . . 1206 G C8 . 52279 1 5 . 1 . 1 1 1 G H8 H 1 8.2426 0.0000 . 1 . . . . . 1206 G H8 . 52279 1 6 . 1 . 1 2 2 G H3' H 1 4.6376 0.0000 . 1 . . . . . 1207 G H3' . 52279 1 7 . 1 . 1 2 2 G H2' H 1 4.6873 0.0000 . 1 . . . . . 1207 G H2' . 52279 1 8 . 1 . 1 2 2 G H1' H 1 5.9714 0.0000 . 1 . . . . . 1207 G H1' . 52279 1 9 . 1 . 1 2 2 G C8 C 13 137.0298 0.0000 . 1 . . . . . 1207 G C8 . 52279 1 10 . 1 . 1 2 2 G H8 H 1 7.5902 0.0000 . 1 . . . . . 1207 G H8 . 52279 1 11 . 1 . 1 3 3 A H3' H 1 4.6175 0.0000 . 1 . . . . . 490 A H3' . 52279 1 12 . 1 . 1 3 3 A H2' H 1 4.6552 0.0000 . 1 . . . . . 490 A H2' . 52279 1 13 . 1 . 1 3 3 A H1' H 1 6.0166 0.0000 . 1 . . . . . 490 A H1' . 52279 1 14 . 1 . 1 3 3 A C8 C 13 139.4917 0.0000 . 1 . . . . . 490 A C8 . 52279 1 15 . 1 . 1 3 3 A H8 H 1 7.7902 0.0000 . 1 . . . . . 490 A H8 . 52279 1 16 . 1 . 1 3 3 A C2 C 13 152.9871 0.0000 . 1 . . . . . 490 A C2 . 52279 1 17 . 1 . 1 3 3 A H2 H 1 7.2474 0.0000 . 1 . . . . . 490 A H2 . 52279 1 18 . 1 . 1 4 4 A H3' H 1 4.6428 0.0000 . 1 . . . . . 491 A H3' . 52279 1 19 . 1 . 1 4 4 A H2' H 1 4.6428 0.0000 . 1 . . . . . 491 A H2' . 52279 1 20 . 1 . 1 4 4 A H1' H 1 5.9553 0.0000 . 1 . . . . . 491 A H1' . 52279 1 21 . 1 . 1 4 4 A C8 C 13 139.2991 0.0000 . 1 . . . . . 491 A C8 . 52279 1 22 . 1 . 1 4 4 A H8 H 1 7.7149 0.0000 . 1 . . . . . 491 A H8 . 52279 1 23 . 1 . 1 4 4 A C2 C 13 153.3219 0.0000 . 1 . . . . . 491 A C2 . 52279 1 24 . 1 . 1 4 4 A H2 H 1 7.5807 0.0000 . 1 . . . . . 491 A H2 . 52279 1 25 . 1 . 1 5 5 G H3' H 1 4.4244 0.0000 . 1 . . . . . 492 G H3' . 52279 1 26 . 1 . 1 5 5 G H2' H 1 4.5114 0.0000 . 1 . . . . . 492 G H2' . 52279 1 27 . 1 . 1 5 5 G H1' H 1 5.6218 0.0000 . 1 . . . . . 492 G H1' . 52279 1 28 . 1 . 1 5 5 G C8 C 13 136.1052 0.0000 . 1 . . . . . 492 G C8 . 52279 1 29 . 1 . 1 5 5 G H8 H 1 7.1275 0.0000 . 1 . . . . . 492 G H8 . 52279 1 30 . 1 . 1 6 6 U H3' H 1 4.5524 0.0000 . 1 . . . . . 493 U H3' . 52279 1 31 . 1 . 1 6 6 U H2' H 1 4.6813 0.0000 . 1 . . . . . 493 U H2' . 52279 1 32 . 1 . 1 6 6 U H1' H 1 5.6302 0.0000 . 1 . . . . . 493 U H1' . 52279 1 33 . 1 . 1 6 6 U H5 H 1 5.0985 0.0000 . 1 . . . . . 493 U H5 . 52279 1 34 . 1 . 1 6 6 U C6 C 13 141.2614 0.0000 . 1 . . . . . 493 U C6 . 52279 1 35 . 1 . 1 6 6 U H6 H 1 7.7327 0.0000 . 1 . . . . . 493 U H6 . 52279 1 36 . 1 . 1 7 7 G H3' H 1 4.6089 0.0000 . 1 . . . . . 494 G H3' . 52279 1 37 . 1 . 1 7 7 G H2' H 1 4.4617 0.0000 . 1 . . . . . 494 G H2' . 52279 1 38 . 1 . 1 7 7 G H1' H 1 5.8834 0.0000 . 1 . . . . . 494 G H1' . 52279 1 39 . 1 . 1 7 7 G C8 C 13 136.2745 0.0000 . 1 . . . . . 494 G C8 . 52279 1 40 . 1 . 1 7 7 G H8 H 1 7.7572 0.0000 . 1 . . . . . 494 G H8 . 52279 1 41 . 1 . 1 8 8 C H3' H 1 4.4871 0.0000 . 1 . . . . . 495 C H3' . 52279 1 42 . 1 . 1 8 8 C H2' H 1 4.4926 0.0000 . 1 . . . . . 495 C H2' . 52279 1 43 . 1 . 1 8 8 C H1' H 1 5.5434 0.0000 . 1 . . . . . 495 C H1' . 52279 1 44 . 1 . 1 8 8 C H5 H 1 5.2988 0.0000 . 1 . . . . . 495 C H5 . 52279 1 45 . 1 . 1 8 8 C C6 C 13 141.2580 0.0000 . 1 . . . . . 495 C C6 . 52279 1 46 . 1 . 1 8 8 C H6 H 1 7.7064 0.0000 . 1 . . . . . 495 C H6 . 52279 1 47 . 1 . 1 9 9 U H3' H 1 4.4871 0.0000 . 1 . . . . . 496 U H3' . 52279 1 48 . 1 . 1 9 9 U H2' H 1 4.6083 0.0000 . 1 . . . . . 496 U H2' . 52279 1 49 . 1 . 1 9 9 U H1' H 1 5.6126 0.0000 . 1 . . . . . 496 U H1' . 52279 1 50 . 1 . 1 9 9 U H5 H 1 5.4692 0.0000 . 1 . . . . . 496 U H5 . 52279 1 51 . 1 . 1 9 9 U C6 C 13 141.8363 0.0000 . 1 . . . . . 496 U C6 . 52279 1 52 . 1 . 1 9 9 U H6 H 1 7.8279 0.0000 . 1 . . . . . 496 U H6 . 52279 1 53 . 1 . 1 10 10 U H3' H 1 4.7455 0.0000 . 1 . . . . . 497 U H3' . 52279 1 54 . 1 . 1 10 10 U H2' H 1 4.3634 0.0000 . 1 . . . . . 497 U H2' . 52279 1 55 . 1 . 1 10 10 U H1' H 1 5.5243 0.0000 . 1 . . . . . 497 U H1' . 52279 1 56 . 1 . 1 10 10 U H5 H 1 5.8872 0.0000 . 1 . . . . . 497 U H5 . 52279 1 57 . 1 . 1 10 10 U C6 C 13 141.6170 0.0000 . 1 . . . . . 497 U C6 . 52279 1 58 . 1 . 1 10 10 U H6 H 1 8.0247 0.0000 . 1 . . . . . 497 U H6 . 52279 1 59 . 1 . 1 11 11 A H3' H 1 4.7985 0.0000 . 1 . . . . . 498 A H3' . 52279 1 60 . 1 . 1 11 11 A H2' H 1 4.5549 0.0000 . 1 . . . . . 498 A H2' . 52279 1 61 . 1 . 1 11 11 A H1' H 1 5.9543 0.0000 . 1 . . . . . 498 A H1' . 52279 1 62 . 1 . 1 11 11 A C8 C 13 141.0439 0.0000 . 1 . . . . . 498 A C8 . 52279 1 63 . 1 . 1 11 11 A H8 H 1 8.4816 0.0000 . 1 . . . . . 498 A H8 . 52279 1 64 . 1 . 1 11 11 A C2 C 13 153.0146 0.0000 . 1 . . . . . 498 A C2 . 52279 1 65 . 1 . 1 11 11 A H2 H 1 7.2571 0.0000 . 1 . . . . . 498 A H2 . 52279 1 66 . 1 . 1 12 12 U H3' H 1 4.4780 0.0000 . 1 . . . . . 499 U H3' . 52279 1 67 . 1 . 1 12 12 U H2' H 1 4.4780 0.0000 . 1 . . . . . 499 U H2' . 52279 1 68 . 1 . 1 12 12 U H1' H 1 5.5248 0.0000 . 1 . . . . . 499 U H1' . 52279 1 69 . 1 . 1 12 12 U H5 H 1 5.1891 0.0000 . 1 . . . . . 499 U H5 . 52279 1 70 . 1 . 1 12 12 U C6 C 13 141.6279 0.0000 . 1 . . . . . 499 U C6 . 52279 1 71 . 1 . 1 12 12 U H6 H 1 7.7180 0.0000 . 1 . . . . . 499 U H6 . 52279 1 72 . 1 . 1 13 13 A H3' H 1 4.6360 0.0000 . 1 . . . . . 500 A H3' . 52279 1 73 . 1 . 1 13 13 A H2' H 1 4.5890 0.0000 . 1 . . . . . 500 A H2' . 52279 1 74 . 1 . 1 13 13 A H1' H 1 6.1132 0.0000 . 1 . . . . . 500 A H1' . 52279 1 75 . 1 . 1 13 13 A C8 C 13 139.8282 0.0000 . 1 . . . . . 500 A C8 . 52279 1 76 . 1 . 1 13 13 A H8 H 1 8.1554 0.0000 . 1 . . . . . 500 A H8 . 52279 1 77 . 1 . 1 13 13 A C2 C 13 152.4431 0.0000 . 1 . . . . . 500 A C2 . 52279 1 78 . 1 . 1 13 13 A H2 H 1 6.7425 0.0000 . 1 . . . . . 500 A H2 . 52279 1 79 . 1 . 1 14 14 G H3' H 1 4.2995 0.0000 . 1 . . . . . 501 G H3' . 52279 1 80 . 1 . 1 14 14 G H2' H 1 4.4808 0.0000 . 1 . . . . . 501 G H2' . 52279 1 81 . 1 . 1 14 14 G H1' H 1 5.6290 0.0000 . 1 . . . . . 501 G H1' . 52279 1 82 . 1 . 1 14 14 G C8 C 13 136.5741 0.0000 . 1 . . . . . 501 G C8 . 52279 1 83 . 1 . 1 14 14 G H8 H 1 7.0483 0.0000 . 1 . . . . . 501 G H8 . 52279 1 84 . 1 . 1 15 15 U H3' H 1 4.5756 0.0000 . 1 . . . . . 502 U H3' . 52279 1 85 . 1 . 1 15 15 U H2' H 1 4.4897 0.0000 . 1 . . . . . 502 U H2' . 52279 1 86 . 1 . 1 15 15 U H1' H 1 5.6203 0.0000 . 1 . . . . . 502 U H1' . 52279 1 87 . 1 . 1 15 15 U H5 H 1 5.1486 0.0000 . 1 . . . . . 502 U H5 . 52279 1 88 . 1 . 1 15 15 U C6 C 13 140.3384 0.0000 . 1 . . . . . 502 U C6 . 52279 1 89 . 1 . 1 15 15 U H6 H 1 7.5436 0.0000 . 1 . . . . . 502 U H6 . 52279 1 90 . 1 . 1 16 16 G H3' H 1 4.6872 0.0000 . 1 . . . . . 1208 G H3' . 52279 1 91 . 1 . 1 16 16 G H2' H 1 4.4730 0.0000 . 1 . . . . . 1208 G H2' . 52279 1 92 . 1 . 1 16 16 G H1' H 1 5.7768 0.0000 . 1 . . . . . 1208 G H1' . 52279 1 93 . 1 . 1 16 16 G C8 C 13 137.2905 0.0000 . 1 . . . . . 1208 G C8 . 52279 1 94 . 1 . 1 16 16 G H8 H 1 7.5980 0.0000 . 1 . . . . . 1208 G H8 . 52279 1 95 . 1 . 1 17 17 A H3' H 1 4.5363 0.0000 . 1 . . . . . 1209 A H3' . 52279 1 96 . 1 . 1 17 17 A H2' H 1 4.7397 0.0000 . 1 . . . . . 1209 A H2' . 52279 1 97 . 1 . 1 17 17 A H1' H 1 5.8089 0.0000 . 1 . . . . . 1209 A H1' . 52279 1 98 . 1 . 1 17 17 A C8 C 13 142.0686 0.0000 . 1 . . . . . 1209 A C8 . 52279 1 99 . 1 . 1 17 17 A H8 H 1 8.3031 0.0000 . 1 . . . . . 1209 A H8 . 52279 1 100 . 1 . 1 17 17 A C2 C 13 154.7564 0.0000 . 1 . . . . . 1209 A C2 . 52279 1 101 . 1 . 1 17 17 A H2 H 1 8.0085 0.0000 . 1 . . . . . 1209 A H2 . 52279 1 102 . 1 . 1 18 18 G H3' H 1 4.5756 0.0000 . 1 . . . . . 1210 G H3' . 52279 1 103 . 1 . 1 18 18 G H2' H 1 4.3629 0.0000 . 1 . . . . . 1210 G H2' . 52279 1 104 . 1 . 1 18 18 G H1' H 1 5.3586 0.0000 . 1 . . . . . 1210 G H1' . 52279 1 105 . 1 . 1 18 18 G C8 C 13 138.1762 0.0000 . 1 . . . . . 1210 G C8 . 52279 1 106 . 1 . 1 18 18 G H8 H 1 7.6686 0.0000 . 1 . . . . . 1210 G H8 . 52279 1 107 . 1 . 1 19 19 A H3' H 1 5.0935 0.0000 . 1 . . . . . 1211 A H3' . 52279 1 108 . 1 . 1 19 19 A H2' H 1 4.6467 0.0000 . 1 . . . . . 1211 A H2' . 52279 1 109 . 1 . 1 19 19 A H1' H 1 6.1928 0.0000 . 1 . . . . . 1211 A H1' . 52279 1 110 . 1 . 1 19 19 A C8 C 13 141.1655 0.0000 . 1 . . . . . 1211 A C8 . 52279 1 111 . 1 . 1 19 19 A H8 H 1 8.1864 0.0000 . 1 . . . . . 1211 A H8 . 52279 1 112 . 1 . 1 19 19 A C2 C 13 155.6936 0.0000 . 1 . . . . . 1211 A C2 . 52279 1 113 . 1 . 1 19 19 A H2 H 1 8.2561 0.0000 . 1 . . . . . 1211 A H2 . 52279 1 114 . 1 . 1 20 20 A H3' H 1 4.4227 0.0000 . 1 . . . . . 540 A H3' . 52279 1 115 . 1 . 1 20 20 A H2' H 1 4.5609 0.0000 . 1 . . . . . 540 A H2' . 52279 1 116 . 1 . 1 20 20 A H1' H 1 4.4141 0.0000 . 1 . . . . . 540 A H1' . 52279 1 117 . 1 . 1 20 20 A C8 C 13 141.2596 0.0000 . 1 . . . . . 540 A C8 . 52279 1 118 . 1 . 1 20 20 A H8 H 1 8.4520 0.0000 . 1 . . . . . 540 A H8 . 52279 1 119 . 1 . 1 20 20 A C2 C 13 154.1680 0.0000 . 1 . . . . . 540 A C2 . 52279 1 120 . 1 . 1 20 20 A H2 H 1 7.9787 0.0000 . 1 . . . . . 540 A H2 . 52279 1 121 . 1 . 1 21 21 U H3' H 1 4.3209 0.0000 . 1 . . . . . 541 U H3' . 52279 1 122 . 1 . 1 21 21 U H2' H 1 4.2030 0.0000 . 1 . . . . . 541 U H2' . 52279 1 123 . 1 . 1 21 21 U H1' H 1 5.4977 0.0000 . 1 . . . . . 541 U H1' . 52279 1 124 . 1 . 1 21 21 U H5 H 1 5.4236 0.0000 . 1 . . . . . 541 U H5 . 52279 1 125 . 1 . 1 21 21 U C6 C 13 141.2371 0.0000 . 1 . . . . . 541 U C6 . 52279 1 126 . 1 . 1 21 21 U H6 H 1 7.6630 0.0000 . 1 . . . . . 541 U H6 . 52279 1 127 . 1 . 1 22 22 U H3' H 1 4.6169 0.0000 . 1 . . . . . 542 U H3' . 52279 1 128 . 1 . 1 22 22 U H2' H 1 4.6160 0.0000 . 1 . . . . . 542 U H2' . 52279 1 129 . 1 . 1 22 22 U H1' H 1 5.6671 0.0000 . 1 . . . . . 542 U H1' . 52279 1 130 . 1 . 1 22 22 U H5 H 1 5.6913 0.0000 . 1 . . . . . 542 U H5 . 52279 1 131 . 1 . 1 22 22 U C6 C 13 142.8327 0.0000 . 1 . . . . . 542 U C6 . 52279 1 132 . 1 . 1 22 22 U H6 H 1 8.0995 0.0000 . 1 . . . . . 542 U H6 . 52279 1 133 . 1 . 1 23 23 A H3' H 1 4.6014 0.0000 . 1 . . . . . 543 A H3' . 52279 1 134 . 1 . 1 23 23 A H2' H 1 4.4738 0.0000 . 1 . . . . . 543 A H2' . 52279 1 135 . 1 . 1 23 23 A H1' H 1 6.0570 0.0000 . 1 . . . . . 543 A H1' . 52279 1 136 . 1 . 1 23 23 A C8 C 13 140.1408 0.0000 . 1 . . . . . 543 A C8 . 52279 1 137 . 1 . 1 23 23 A H8 H 1 8.2306 0.0000 . 1 . . . . . 543 A H8 . 52279 1 138 . 1 . 1 23 23 A C2 C 13 153.3219 0.0000 . 1 . . . . . 543 A C2 . 52279 1 139 . 1 . 1 23 23 A H2 H 1 7.1551 0.0000 . 1 . . . . . 543 A H2 . 52279 1 140 . 1 . 1 24 24 U H3' H 1 4.4442 0.0000 . 1 . . . . . 544 U H3' . 52279 1 141 . 1 . 1 24 24 U H2' H 1 4.4442 0.0000 . 1 . . . . . 544 U H2' . 52279 1 142 . 1 . 1 24 24 U H1' H 1 5.5911 0.0000 . 1 . . . . . 544 U H1' . 52279 1 143 . 1 . 1 24 24 U H5 H 1 5.1499 0.0000 . 1 . . . . . 544 U H5 . 52279 1 144 . 1 . 1 24 24 U C6 C 13 141.2632 0.0000 . 1 . . . . . 544 U C6 . 52279 1 145 . 1 . 1 24 24 U H6 H 1 7.6190 0.0000 . 1 . . . . . 544 U H6 . 52279 1 146 . 1 . 1 25 25 G H3' H 1 4.5048 0.0000 . 1 . . . . . 545 G H3' . 52279 1 147 . 1 . 1 25 25 G H2' H 1 4.7905 0.0000 . 1 . . . . . 545 G H2' . 52279 1 148 . 1 . 1 25 25 G H1' H 1 5.7666 0.0000 . 1 . . . . . 545 G H1' . 52279 1 149 . 1 . 1 25 25 G C8 C 13 137.3426 0.0000 . 1 . . . . . 545 G C8 . 52279 1 150 . 1 . 1 25 25 G H8 H 1 7.6337 0.0000 . 1 . . . . . 545 G H8 . 52279 1 151 . 1 . 1 26 26 A H3' H 1 4.6760 0.0000 . 1 . . . . . 546 A H3' . 52279 1 152 . 1 . 1 26 26 A H2' H 1 4.5220 0.0000 . 1 . . . . . 546 A H2' . 52279 1 153 . 1 . 1 26 26 A H1' H 1 5.9021 0.0000 . 1 . . . . . 546 A H1' . 52279 1 154 . 1 . 1 26 26 A C8 C 13 139.3082 0.0000 . 1 . . . . . 546 A C8 . 52279 1 155 . 1 . 1 26 26 A H8 H 1 7.7319 0.0000 . 1 . . . . . 546 A H8 . 52279 1 156 . 1 . 1 26 26 A C2 C 13 153.3912 0.0000 . 1 . . . . . 546 A C2 . 52279 1 157 . 1 . 1 26 26 A H2 H 1 7.5399 0.0000 . 1 . . . . . 546 A H2 . 52279 1 158 . 1 . 1 27 27 G H3' H 1 4.5059 0.0000 . 1 . . . . . 547 G H3' . 52279 1 159 . 1 . 1 27 27 G H2' H 1 4.5047 0.0000 . 1 . . . . . 547 G H2' . 52279 1 160 . 1 . 1 27 27 G H1' H 1 5.6900 0.0000 . 1 . . . . . 547 G H1' . 52279 1 161 . 1 . 1 27 27 G C8 C 13 135.7926 0.0000 . 1 . . . . . 547 G C8 . 52279 1 162 . 1 . 1 27 27 G H8 H 1 7.2133 0.0000 . 1 . . . . . 547 G H8 . 52279 1 163 . 1 . 1 28 28 C H3' H 1 4.5853 0.0000 . 1 . . . . . 548 C H3' . 52279 1 164 . 1 . 1 28 28 C H2' H 1 4.5853 0.0000 . 1 . . . . . 548 C H2' . 52279 1 165 . 1 . 1 28 28 C H1' H 1 5.5675 0.0000 . 1 . . . . . 548 C H1' . 52279 1 166 . 1 . 1 28 28 C H5 H 1 5.2506 0.0000 . 1 . . . . . 548 C H5 . 52279 1 167 . 1 . 1 28 28 C C6 C 13 141.2558 0.0000 . 1 . . . . . 548 C C6 . 52279 1 168 . 1 . 1 28 28 C H6 H 1 7.6909 0.0000 . 1 . . . . . 548 C H6 . 52279 1 169 . 1 . 1 29 29 A H3' H 1 4.6554 0.0000 . 1 . . . . . 549 A H3' . 52279 1 170 . 1 . 1 29 29 A H2' H 1 4.5848 0.0000 . 1 . . . . . 549 A H2' . 52279 1 171 . 1 . 1 29 29 A H1' H 1 6.0223 0.0000 . 1 . . . . . 549 A H1' . 52279 1 172 . 1 . 1 29 29 A C8 C 13 139.7761 0.0000 . 1 . . . . . 549 A C8 . 52279 1 173 . 1 . 1 29 29 A H8 H 1 8.1120 0.0000 . 1 . . . . . 549 A H8 . 52279 1 174 . 1 . 1 29 29 A C2 C 13 153.3676 0.0000 . 1 . . . . . 549 A C2 . 52279 1 175 . 1 . 1 29 29 A H2 H 1 7.4963 0.0000 . 1 . . . . . 549 A H2 . 52279 1 176 . 1 . 1 30 30 C H3' H 1 4.3201 0.0000 . 1 . . . . . 550 C H3' . 52279 1 177 . 1 . 1 30 30 C H2' H 1 4.2028 0.0000 . 1 . . . . . 550 C H2' . 52279 1 178 . 1 . 1 30 30 C H1' H 1 5.4915 0.0000 . 1 . . . . . 550 C H1' . 52279 1 179 . 1 . 1 30 30 C H5 H 1 5.3170 0.0000 . 1 . . . . . 550 C H5 . 52279 1 180 . 1 . 1 30 30 C C6 C 13 141.2371 0.0000 . 1 . . . . . 550 C C6 . 52279 1 181 . 1 . 1 30 30 C H6 H 1 7.6281 0.0000 . 1 . . . . . 550 C H6 . 52279 1 182 . 1 . 1 31 31 U H3' H 1 4.5160 0.0000 . 1 . . . . . 551 U H3' . 52279 1 183 . 1 . 1 31 31 U H2' H 1 4.5209 0.0000 . 1 . . . . . 551 U H2' . 52279 1 184 . 1 . 1 31 31 U H1' H 1 5.6295 0.0000 . 1 . . . . . 551 U H1' . 52279 1 185 . 1 . 1 31 31 U H5 H 1 5.4326 0.0000 . 1 . . . . . 551 U H5 . 52279 1 186 . 1 . 1 31 31 U C6 C 13 142.3812 0.0000 . 1 . . . . . 551 U C6 . 52279 1 187 . 1 . 1 31 31 U H6 H 1 7.9724 0.0000 . 1 . . . . . 551 U H6 . 52279 1 188 . 1 . 1 32 32 U H3' H 1 4.5416 0.0000 . 1 . . . . . 552 U H3' . 52279 1 189 . 1 . 1 32 32 U H2' H 1 4.5412 0.0000 . 1 . . . . . 552 U H2' . 52279 1 190 . 1 . 1 32 32 U H1' H 1 5.7311 0.0000 . 1 . . . . . 552 U H1' . 52279 1 191 . 1 . 1 32 32 U H5 H 1 5.6726 0.0000 . 1 . . . . . 552 U H5 . 52279 1 192 . 1 . 1 32 32 U C6 C 13 142.6915 0.0000 . 1 . . . . . 552 U C6 . 52279 1 193 . 1 . 1 32 32 U H6 H 1 8.1196 0.0000 . 1 . . . . . 552 U H6 . 52279 1 194 . 1 . 1 33 33 C H3' H 1 4.4596 0.0000 . 1 . . . . . 1212 C H3' . 52279 1 195 . 1 . 1 33 33 C H2' H 1 4.1998 0.0000 . 1 . . . . . 1212 C H2' . 52279 1 196 . 1 . 1 33 33 C H1' H 1 5.6297 0.0000 . 1 . . . . . 1212 C H1' . 52279 1 197 . 1 . 1 33 33 C H5 H 1 5.7254 0.0000 . 1 . . . . . 1212 C H5 . 52279 1 198 . 1 . 1 33 33 C C6 C 13 142.0447 0.0000 . 1 . . . . . 1212 C C6 . 52279 1 199 . 1 . 1 33 33 C H6 H 1 7.9699 0.0000 . 1 . . . . . 1212 C H6 . 52279 1 200 . 1 . 1 34 34 C H3' H 1 4.2498 0.0000 . 1 . . . . . 1213 C H3' . 52279 1 201 . 1 . 1 34 34 C H2' H 1 4.0617 0.0000 . 1 . . . . . 1213 C H2' . 52279 1 202 . 1 . 1 34 34 C H1' H 1 5.7993 0.0000 . 1 . . . . . 1213 C H1' . 52279 1 203 . 1 . 1 34 34 C H5 H 1 5.5411 0.0000 . 1 . . . . . 1213 C H5 . 52279 1 204 . 1 . 1 34 34 C C6 C 13 141.6324 0.0000 . 1 . . . . . 1213 C C6 . 52279 1 205 . 1 . 1 34 34 C H6 H 1 7.7246 0.0000 . 1 . . . . . 1213 C H6 . 52279 1 stop_ save_