data_51134 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51134 _Entry.Title ; pre-miRNA-31 BottomB ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-10-12 _Entry.Accession_date 2021-10-12 _Entry.Last_release_date 2021-10-12 _Entry.Original_release_date 2021-10-12 _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 1 _Entry.Generated_software_label $software_1 _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 Anita Kotar . . . 0000-0001-7576-7490 51134 2 Sarah Keane . C. . 0000-0003-3206-9048 51134 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Michigan' . 51134 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51134 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 38 51134 '1H chemical shifts' 141 51134 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 . . 2022-02-18 . original BMRB . 51134 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51134 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35114594 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; pH dependence of C*A, G*A and A*A mismatches in the stem of precursor microRNA-31 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. Chem.' _Citation.Journal_name_full 'Biophysical chemistry' _Citation.Journal_volume 283 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1873-4200 _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 106763 _Citation.Page_last 106763 _Citation.Year 2022 _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 Anita Kotar . . . . 51134 1 2 Sicong Ma S. . . . 51134 1 3 Sarah Keane . C. . . 51134 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'microRNA, stem, mismatches, solution NMR spectroscopy' 51134 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51134 _Assembly.ID 1 _Assembly.Name BottomB _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 RNA 1 $entity_1 . . yes native no no . . . 51134 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51134 _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 ; GGCAAGAUGCUGGGAGACCA ACAUAUUGCC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 9,10,11,12,13,14,15,16,17,18,19,20,21,401,402,403,404,51,52,53,54,55,56,57,58,59,60,61,62,63 _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 30 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment BottomB _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 9 G . 51134 1 2 10 G . 51134 1 3 11 C . 51134 1 4 12 A . 51134 1 5 13 A . 51134 1 6 14 G . 51134 1 7 15 A . 51134 1 8 16 U . 51134 1 9 17 G . 51134 1 10 18 C . 51134 1 11 19 U . 51134 1 12 20 G . 51134 1 13 21 G . 51134 1 14 401 G . 51134 1 15 402 A . 51134 1 16 403 G . 51134 1 17 404 A . 51134 1 18 51 C . 51134 1 19 52 C . 51134 1 20 53 A . 51134 1 21 54 A . 51134 1 22 55 C . 51134 1 23 56 A . 51134 1 24 57 U . 51134 1 25 58 A . 51134 1 26 59 U . 51134 1 27 60 U . 51134 1 28 61 G . 51134 1 29 62 C . 51134 1 30 63 C . 51134 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 51134 1 . G 2 2 51134 1 . C 3 3 51134 1 . A 4 4 51134 1 . A 5 5 51134 1 . G 6 6 51134 1 . A 7 7 51134 1 . U 8 8 51134 1 . G 9 9 51134 1 . C 10 10 51134 1 . U 11 11 51134 1 . G 12 12 51134 1 . G 13 13 51134 1 . G 14 14 51134 1 . A 15 15 51134 1 . G 16 16 51134 1 . A 17 17 51134 1 . C 18 18 51134 1 . C 19 19 51134 1 . A 20 20 51134 1 . A 21 21 51134 1 . C 22 22 51134 1 . A 23 23 51134 1 . U 24 24 51134 1 . A 25 25 51134 1 . U 26 26 51134 1 . U 27 27 51134 1 . G 28 28 51134 1 . C 29 29 51134 1 . C 30 30 51134 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 51134 _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 . . . . . . . . . . . . . 51134 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 51134 _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 enzymatic synthesis' . . . . . . . . . . . . . . . . 51134 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51134 _Sample.ID 1 _Sample.Name BottomB _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 RNA 'natural abundance' . . 1 $entity_1 . . 0.4 . . mM . . . . 51134 1 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 51134 1 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 51134 1 4 'magnesium chloride' 'natural abundance' . . . . . . 1 . . mM . . . . 51134 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 51134 _Sample_condition_list.ID 1 _Sample_condition_list.Name BottomB _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' 0.2255 . M 51134 1 pH 7.5 . pH 51134 1 pressure 1 . atm 51134 1 temperature 310 . K 51134 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51134 _Software.ID 1 _Software.Type . _Software.Name NMRViewJ _Software.Version 9.2.0-b24 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51134 1 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 51134 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '800 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51134 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name '600 MHz' _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 51134 _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 '1D 1H' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51134 1 2 '2D 1H-1H NOESY' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51134 1 3 '2D 1H-1H TOCSY' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51134 1 4 '2D 1H-13C HMQC' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51134 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 '1D 1H' pre-miRNA-31_BottomB_NMRspectra.rar . 'Time-domain (raw spectral data)' . . 51134 1 2 '2D 1H-1H NOESY' pre-miRNA-31_BottomB_NMRspectra.rar . 'Time-domain (raw spectral data)' . . 51134 1 3 '2D 1H-1H TOCSY' pre-miRNA-31_BottomB_NMRspectra.rar . 'Time-domain (raw spectral data)' . . 51134 1 4 '2D 1H-13C HMQC' pre-miRNA-31_BottomB_NMRspectra.rar . 'Time-domain (raw spectral data)' . . 51134 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 51134 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name BottomB _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 4.708 internal indirect . . . . . . 51134 1 H 1 water protons . . . . ppm 4.708 internal direct 1 . . . . . 51134 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 51134 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name BottomB _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 '1D 1H' . . . 51134 1 2 '2D 1H-1H NOESY' . . . 51134 1 3 '2D 1H-1H TOCSY' . . . 51134 1 4 '2D 1H-13C HMQC' . . . 51134 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 . . 51134 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 H1' H 1 5.9162 0.0131 . 1 . . . . . 9 G H1' . 51134 1 2 . 1 . 1 1 1 G H2' H 1 5.0322 0.0088 . 1 . . . . . 9 G H2' . 51134 1 3 . 1 . 1 1 1 G H3' H 1 4.8634 0.0088 . 1 . . . . . 9 G H3' . 51134 1 4 . 1 . 1 1 1 G H8 H 1 8.2639 0.0164 . 1 . . . . . 9 G H8 . 51134 1 5 . 1 . 1 1 1 G C8 C 13 139.4540 0.9269 . 1 . . . . . 9 G C8 . 51134 1 6 . 1 . 1 2 2 G H1' H 1 5.9907 0.0131 . 1 . . . . . 10 G H1' . 51134 1 7 . 1 . 1 2 2 G H2' H 1 4.5691 0.0131 . 1 . . . . . 10 G H2' . 51134 1 8 . 1 . 1 2 2 G H3' H 1 4.4981 0.0131 . 1 . . . . . 10 G H3' . 51134 1 9 . 1 . 1 2 2 G H8 H 1 7.7216 0.0163 . 1 . . . . . 10 G H8 . 51134 1 10 . 1 . 1 2 2 G C8 C 13 138.9408 0.7165 . 1 . . . . . 10 G C8 . 51134 1 11 . 1 . 1 3 3 C H1' H 1 5.6064 0.0131 . 1 . . . . . 11 C H1' . 51134 1 12 . 1 . 1 3 3 C H2' H 1 4.6762 0.0131 . 1 . . . . . 11 C H2' . 51134 1 13 . 1 . 1 3 3 C H3' H 1 4.6344 0.0131 . 1 . . . . . 11 C H3' . 51134 1 14 . 1 . 1 3 3 C H5 H 1 5.3649 0.0140 . 1 . . . . . 11 C H5 . 51134 1 15 . 1 . 1 3 3 C H6 H 1 7.7555 0.0141 . 1 . . . . . 11 C H6 . 51134 1 16 . 1 . 1 3 3 C C6 C 13 141.1669 0.9224 . 1 . . . . . 11 C C6 . 51134 1 17 . 1 . 1 4 4 A H1' H 1 5.9623 0.0131 . 1 . . . . . 12 A H1' . 51134 1 18 . 1 . 1 4 4 A H2 H 1 6.7621 0.0154 . 1 . . . . . 12 A H2 . 51134 1 19 . 1 . 1 4 4 A H2' H 1 4.7472 0.0088 . 1 . . . . . 12 A H2' . 51134 1 20 . 1 . 1 4 4 A H3' H 1 4.6014 0.0131 . 1 . . . . . 12 A H3' . 51134 1 21 . 1 . 1 4 4 A H8 H 1 8.0045 0.0128 . 1 . . . . . 12 A H8 . 51134 1 22 . 1 . 1 4 4 A C2 C 13 152.2331 0.6392 . 1 . . . . . 12 A C2 . 51134 1 23 . 1 . 1 4 4 A C8 C 13 139.4932 0.7617 . 1 . . . . . 12 A C8 . 51134 1 24 . 1 . 1 5 5 A H1' H 1 5.8352 0.0131 . 1 . . . . . 13 A H1' . 51134 1 25 . 1 . 1 5 5 A H2 H 1 7.5308 0.0156 . 1 . . . . . 13 A H2 . 51134 1 26 . 1 . 1 5 5 A H2' H 1 4.5354 0.0131 . 1 . . . . . 13 A H2' . 51134 1 27 . 1 . 1 5 5 A H3' H 1 4.6139 0.0131 . 1 . . . . . 13 A H3' . 51134 1 28 . 1 . 1 5 5 A H8 H 1 7.7352 0.0190 . 1 . . . . . 13 A H8 . 51134 1 29 . 1 . 1 5 5 A C2 C 13 153.6973 0.6636 . 1 . . . . . 13 A C2 . 51134 1 30 . 1 . 1 5 5 A C8 C 13 141.1536 0.8414 . 1 . . . . . 13 A C8 . 51134 1 31 . 1 . 1 6 6 G H1' H 1 5.8271 0.0131 . 1 . . . . . 14 G H1' . 51134 1 32 . 1 . 1 6 6 G H2' H 1 4.6682 0.0131 . 1 . . . . . 14 G H2' . 51134 1 33 . 1 . 1 6 6 G H3' H 1 4.7820 0.0088 . 1 . . . . . 14 G H3' . 51134 1 34 . 1 . 1 6 6 G H8 H 1 7.7107 0.0202 . 1 . . . . . 14 G H8 . 51134 1 35 . 1 . 1 6 6 G C8 C 13 136.8219 0.9158 . 1 . . . . . 14 G C8 . 51134 1 36 . 1 . 1 7 7 A H1' H 1 5.9969 0.0131 . 1 . . . . . 15 A H1' . 51134 1 37 . 1 . 1 7 7 A H2 H 1 7.3543 0.0143 . 1 . . . . . 15 A H2 . 51134 1 38 . 1 . 1 7 7 A H2' H 1 4.6844 0.0131 . 1 . . . . . 15 A H2' . 51134 1 39 . 1 . 1 7 7 A H3' H 1 4.6518 0.0131 . 1 . . . . . 15 A H3' . 51134 1 40 . 1 . 1 7 7 A H8 H 1 7.9210 0.0141 . 1 . . . . . 15 A H8 . 51134 1 41 . 1 . 1 7 7 A C2 C 13 153.5004 0.6848 . 1 . . . . . 15 A C2 . 51134 1 42 . 1 . 1 7 7 A C8 C 13 140.2240 0.8502 . 1 . . . . . 15 A C8 . 51134 1 43 . 1 . 1 8 8 U H1' H 1 5.4438 0.0131 . 1 . . . . . 16 U H1' . 51134 1 44 . 1 . 1 8 8 U H2' H 1 4.5795 0.0131 . 1 . . . . . 16 U H2' . 51134 1 45 . 1 . 1 8 8 U H3' H 1 4.2032 0.0131 . 1 . . . . . 16 U H3' . 51134 1 46 . 1 . 1 8 8 U H5 H 1 5.0472 0.0140 . 1 . . . . . 16 U H5 . 51134 1 47 . 1 . 1 8 8 U H6 H 1 7.5893 0.0117 . 1 . . . . . 16 U H6 . 51134 1 48 . 1 . 1 8 8 U C6 C 13 140.8989 0.7816 . 1 . . . . . 16 U C6 . 51134 1 49 . 1 . 1 9 9 G H1' H 1 5.7894 0.0131 . 1 . . . . . 17 G H1' . 51134 1 50 . 1 . 1 9 9 G H2' H 1 4.5920 0.0131 . 1 . . . . . 17 G H2' . 51134 1 51 . 1 . 1 9 9 G H3' H 1 4.5370 0.0131 . 1 . . . . . 17 G H3' . 51134 1 52 . 1 . 1 9 9 G H8 H 1 7.6655 0.0141 . 1 . . . . . 17 G H8 . 51134 1 53 . 1 . 1 9 9 G C8 C 13 136.7991 0.9224 . 1 . . . . . 17 G C8 . 51134 1 54 . 1 . 1 10 10 C H1' H 1 5.5838 0.0088 . 1 . . . . . 18 C H1' . 51134 1 55 . 1 . 1 10 10 C H2' H 1 4.2018 0.0131 . 1 . . . . . 18 C H2' . 51134 1 56 . 1 . 1 10 10 C H3' H 1 4.5978 0.0131 . 1 . . . . . 18 C H3' . 51134 1 57 . 1 . 1 10 10 C H5 H 1 5.4634 0.0140 . 1 . . . . . 18 C H5 . 51134 1 58 . 1 . 1 10 10 C H6 H 1 7.8783 0.0177 . 1 . . . . . 18 C H6 . 51134 1 59 . 1 . 1 10 10 C C6 C 13 141.5095 0.7640 . 1 . . . . . 18 C C6 . 51134 1 60 . 1 . 1 11 11 U H1' H 1 5.7779 0.0131 . 1 . . . . . 19 U H1' . 51134 1 61 . 1 . 1 11 11 U H2' H 1 4.7029 0.0131 . 1 . . . . . 19 U H2' . 51134 1 62 . 1 . 1 11 11 U H3' H 1 4.5222 0.0131 . 1 . . . . . 19 U H3' . 51134 1 63 . 1 . 1 11 11 U H5 H 1 5.5475 0.0140 . 1 . . . . . 19 U H5 . 51134 1 64 . 1 . 1 11 11 U H6 H 1 7.8635 0.0141 . 1 . . . . . 19 U H6 . 51134 1 65 . 1 . 1 11 11 U C6 C 13 141.3678 0.8502 . 1 . . . . . 19 U C6 . 51134 1 66 . 1 . 1 12 12 G H1' H 1 5.8473 0.0088 . 1 . . . . . 20 G H1' . 51134 1 67 . 1 . 1 12 12 G H2' H 1 4.5550 0.0131 . 1 . . . . . 20 G H2' . 51134 1 68 . 1 . 1 12 12 G H3' H 1 4.6500 0.0131 . 1 . . . . . 20 G H3' . 51134 1 69 . 1 . 1 12 12 G H8 H 1 7.8628 0.0140 . 1 . . . . . 20 G H8 . 51134 1 70 . 1 . 1 12 12 G C8 C 13 136.4441 0.8520 . 1 . . . . . 20 G C8 . 51134 1 71 . 1 . 1 13 13 G H1' H 1 5.7895 0.0131 . 1 . . . . . 21 G H1' . 51134 1 72 . 1 . 1 13 13 G H2' H 1 4.5532 0.0131 . 1 . . . . . 21 G H2' . 51134 1 73 . 1 . 1 13 13 G H3' H 1 4.1868 0.0131 . 1 . . . . . 21 G H3' . 51134 1 74 . 1 . 1 13 13 G H8 H 1 7.1964 0.0201 . 1 . . . . . 21 G H8 . 51134 1 75 . 1 . 1 13 13 G C8 C 13 135.4005 0.7010 . 1 . . . . . 21 G C8 . 51134 1 76 . 1 . 1 14 14 G H1' H 1 5.7911 0.0131 . 1 . . . . . 401 G H1' . 51134 1 77 . 1 . 1 14 14 G H2' H 1 4.3925 0.0131 . 1 . . . . . 401 G H2' . 51134 1 78 . 1 . 1 14 14 G H3' H 1 4.6326 0.0131 . 1 . . . . . 401 G H3' . 51134 1 79 . 1 . 1 14 14 G H8 H 1 7.1818 0.0201 . 1 . . . . . 401 G H8 . 51134 1 80 . 1 . 1 14 14 G C8 C 13 135.8241 0.7010 . 1 . . . . . 401 G C8 . 51134 1 81 . 1 . 1 15 15 A H1' H 1 5.8102 0.0131 . 1 . . . . . 402 A H1' . 51134 1 82 . 1 . 1 15 15 A H2 H 1 8.0275 0.0133 . 1 . . . . . 402 A H2 . 51134 1 83 . 1 . 1 15 15 A H2' H 1 4.4854 0.0131 . 1 . . . . . 402 A H2' . 51134 1 84 . 1 . 1 15 15 A H3' H 1 4.7587 0.0088 . 1 . . . . . 402 A H3' . 51134 1 85 . 1 . 1 15 15 A H8 H 1 8.3182 0.0137 . 1 . . . . . 402 A H8 . 51134 1 86 . 1 . 1 15 15 A C2 C 13 154.9009 0.6591 . 1 . . . . . 402 A C2 . 51134 1 87 . 1 . 1 15 15 A C8 C 13 141.8657 0.6213 . 1 . . . . . 402 A C8 . 51134 1 88 . 1 . 1 16 16 G H1' H 1 5.2552 0.0131 . 1 . . . . . 403 G H1' . 51134 1 89 . 1 . 1 16 16 G H2' H 1 4.3210 0.0131 . 1 . . . . . 403 G H2' . 51134 1 90 . 1 . 1 16 16 G H3' H 1 4.6688 0.0131 . 1 . . . . . 403 G H3' . 51134 1 91 . 1 . 1 16 16 G H8 H 1 7.6857 0.0141 . 1 . . . . . 403 G H8 . 51134 1 92 . 1 . 1 16 16 G C8 C 13 137.2764 0.9224 . 1 . . . . . 403 G C8 . 51134 1 93 . 1 . 1 17 17 A H1' H 1 6.2086 0.0088 . 1 . . . . . 404 A H1' . 51134 1 94 . 1 . 1 17 17 A H2 H 1 8.3390 0.0088 . 1 . . . . . 404 A H2 . 51134 1 95 . 1 . 1 17 17 A H2' H 1 4.5718 0.0131 . 1 . . . . . 404 A H2' . 51134 1 96 . 1 . 1 17 17 A H3' H 1 5.0188 0.0131 . 1 . . . . . 404 A H3' . 51134 1 97 . 1 . 1 17 17 A H8 H 1 8.2530 0.0164 . 1 . . . . . 404 A H8 . 51134 1 98 . 1 . 1 17 17 A C2 C 13 155.9853 0.6400 . 1 . . . . . 404 A C2 . 51134 1 99 . 1 . 1 17 17 A C8 C 13 139.7067 0.9269 . 1 . . . . . 404 A C8 . 51134 1 100 . 1 . 1 18 18 C H1' H 1 4.5740 0.0131 . 1 . . . . . 51 C H1' . 51134 1 101 . 1 . 1 18 18 C H2' H 1 4.4190 0.0131 . 1 . . . . . 51 C H2' . 51134 1 102 . 1 . 1 18 18 C H3' H 1 4.2592 0.0131 . 1 . . . . . 51 C H3' . 51134 1 103 . 1 . 1 18 18 C H5 H 1 6.1217 0.0210 . 1 . . . . . 51 C H5 . 51134 1 104 . 1 . 1 18 18 C H6 H 1 8.0056 0.0178 . 1 . . . . . 51 C H6 . 51134 1 105 . 1 . 1 18 18 C C6 C 13 142.0034 0.6707 . 1 . . . . . 51 C C6 . 51134 1 106 . 1 . 1 19 19 C H1' H 1 5.5469 0.0131 . 1 . . . . . 52 C H1' . 51134 1 107 . 1 . 1 19 19 C H2' H 1 4.6297 0.0131 . 1 . . . . . 52 C H2' . 51134 1 108 . 1 . 1 19 19 C H3' H 1 4.4761 0.0131 . 1 . . . . . 52 C H3' . 51134 1 109 . 1 . 1 19 19 C H5 H 1 5.6795 0.0210 . 1 . . . . . 52 C H5 . 51134 1 110 . 1 . 1 19 19 C H6 H 1 7.8294 0.0211 . 1 . . . . . 52 C H6 . 51134 1 111 . 1 . 1 19 19 C C6 C 13 141.0677 0.6617 . 1 . . . . . 52 C C6 . 51134 1 112 . 1 . 1 20 20 A H1' H 1 5.9465 0.0088 . 1 . . . . . 53 A H1' . 51134 1 113 . 1 . 1 20 20 A H2 H 1 6.6177 0.0131 . 1 . . . . . 53 A H2 . 51134 1 114 . 1 . 1 20 20 A H2' H 1 4.2361 0.0131 . 1 . . . . . 53 A H2' . 51134 1 115 . 1 . 1 20 20 A H3' H 1 4.8003 0.0088 . 1 . . . . . 53 A H3' . 51134 1 116 . 1 . 1 20 20 A H8 H 1 8.0691 0.0119 . 1 . . . . . 53 A H8 . 51134 1 117 . 1 . 1 20 20 A C8 C 13 139.6936 0.6164 . 1 . . . . . 53 A C8 . 51134 1 118 . 1 . 1 21 21 A H1' H 1 6.0735 0.0088 . 1 . . . . . 54 A H1' . 51134 1 119 . 1 . 1 21 21 A H2 H 1 8.1438 0.0139 . 1 . . . . . 54 A H2 . 51134 1 120 . 1 . 1 21 21 A H2' H 1 4.5925 0.0131 . 1 . . . . . 54 A H2' . 51134 1 121 . 1 . 1 21 21 A H3' H 1 4.6302 0.0131 . 1 . . . . . 54 A H3' . 51134 1 122 . 1 . 1 21 21 A H8 H 1 7.9367 0.0093 . 1 . . . . . 54 A H8 . 51134 1 123 . 1 . 1 21 21 A C2 C 13 154.9869 0.9336 . 1 . . . . . 54 A C2 . 51134 1 124 . 1 . 1 21 21 A C8 C 13 140.2915 0.5416 . 1 . . . . . 54 A C8 . 51134 1 125 . 1 . 1 22 22 C H1' H 1 5.4575 0.0131 . 1 . . . . . 55 C H1' . 51134 1 126 . 1 . 1 22 22 C H2' H 1 4.4520 0.0131 . 1 . . . . . 55 C H2' . 51134 1 127 . 1 . 1 22 22 C H3' H 1 4.5356 0.0131 . 1 . . . . . 55 C H3' . 51134 1 128 . 1 . 1 22 22 C H5 H 1 5.3891 0.0210 . 1 . . . . . 55 C H5 . 51134 1 129 . 1 . 1 22 22 C H6 H 1 7.5999 0.0141 . 1 . . . . . 55 C H6 . 51134 1 130 . 1 . 1 22 22 C C6 C 13 141.1305 0.9224 . 1 . . . . . 55 C C6 . 51134 1 131 . 1 . 1 23 23 A H1' H 1 6.0111 0.0131 . 1 . . . . . 56 A H1' . 51134 1 132 . 1 . 1 23 23 A H2 H 1 7.3312 0.0123 . 1 . . . . . 56 A H2 . 51134 1 133 . 1 . 1 23 23 A H2' H 1 4.2035 0.0131 . 1 . . . . . 56 A H2' . 51134 1 134 . 1 . 1 23 23 A H3' H 1 4.6914 0.0131 . 1 . . . . . 56 A H3' . 51134 1 135 . 1 . 1 23 23 A H8 H 1 8.0109 0.0178 . 1 . . . . . 56 A H8 . 51134 1 136 . 1 . 1 23 23 A C2 C 13 153.5917 0.8878 . 1 . . . . . 56 A C2 . 51134 1 137 . 1 . 1 23 23 A C8 C 13 139.4783 0.6707 . 1 . . . . . 56 A C8 . 51134 1 138 . 1 . 1 24 24 U H1' H 1 5.5732 0.0131 . 1 . . . . . 57 U H1' . 51134 1 139 . 1 . 1 24 24 U H2' H 1 4.3921 0.0131 . 1 . . . . . 57 U H2' . 51134 1 140 . 1 . 1 24 24 U H3' H 1 4.5880 0.0131 . 1 . . . . . 57 U H3' . 51134 1 141 . 1 . 1 24 24 U H5 H 1 5.0656 0.0140 . 1 . . . . . 57 U H5 . 51134 1 142 . 1 . 1 24 24 U H6 H 1 7.6232 0.0201 . 1 . . . . . 57 U H6 . 51134 1 143 . 1 . 1 24 24 U C6 C 13 141.4046 0.7670 . 1 . . . . . 57 U C6 . 51134 1 144 . 1 . 1 25 25 A H1' H 1 6.1277 0.0131 . 1 . . . . . 58 A H1' . 51134 1 145 . 1 . 1 25 25 A H2 H 1 7.6891 0.0168 . 1 . . . . . 58 A H2 . 51134 1 146 . 1 . 1 25 25 A H2' H 1 4.1919 0.0131 . 1 . . . . . 58 A H2' . 51134 1 147 . 1 . 1 25 25 A H3' H 1 4.7760 0.0088 . 1 . . . . . 58 A H3' . 51134 1 148 . 1 . 1 25 25 A H8 H 1 8.2189 0.0075 . 1 . . . . . 58 A H8 . 51134 1 149 . 1 . 1 25 25 A C2 C 13 154.3197 0.6776 . 1 . . . . . 58 A C2 . 51134 1 150 . 1 . 1 25 25 A C8 C 13 140.0470 0.6611 . 1 . . . . . 58 A C8 . 51134 1 151 . 1 . 1 26 26 U H1' H 1 5.3346 0.0131 . 1 . . . . . 59 U H1' . 51134 1 152 . 1 . 1 26 26 U H2' H 1 4.3393 0.0131 . 1 . . . . . 59 U H2' . 51134 1 153 . 1 . 1 26 26 U H3' H 1 4.4048 0.0131 . 1 . . . . . 59 U H3' . 51134 1 154 . 1 . 1 26 26 U H5 H 1 5.3866 0.0210 . 1 . . . . . 59 U H5 . 51134 1 155 . 1 . 1 26 26 U H6 H 1 7.4740 0.0248 . 1 . . . . . 59 U H6 . 51134 1 156 . 1 . 1 26 26 U C6 C 13 141.1864 0.6452 . 1 . . . . . 59 U C6 . 51134 1 157 . 1 . 1 27 27 U H1' H 1 5.7208 0.0131 . 1 . . . . . 60 U H1' . 51134 1 158 . 1 . 1 27 27 U H2' H 1 4.5426 0.0131 . 1 . . . . . 60 U H2' . 51134 1 159 . 1 . 1 27 27 U H3' H 1 4.7168 0.0131 . 1 . . . . . 60 U H3' . 51134 1 160 . 1 . 1 27 27 U H5 H 1 5.6100 0.0210 . 1 . . . . . 60 U H5 . 51134 1 161 . 1 . 1 27 27 U H6 H 1 8.0534 0.0073 . 1 . . . . . 60 U H6 . 51134 1 162 . 1 . 1 27 27 U C6 C 13 141.9939 0.5965 . 1 . . . . . 60 U C6 . 51134 1 163 . 1 . 1 28 28 G H1' H 1 5.8484 0.0088 . 1 . . . . . 61 G H1' . 51134 1 164 . 1 . 1 28 28 G H2' H 1 4.1415 0.0131 . 1 . . . . . 61 G H2' . 51134 1 165 . 1 . 1 28 28 G H3' H 1 4.2359 0.0131 . 1 . . . . . 61 G H3' . 51134 1 166 . 1 . 1 28 28 G H8 H 1 7.8305 0.0105 . 1 . . . . . 61 G H8 . 51134 1 167 . 1 . 1 28 28 G C8 C 13 136.1964 0.6485 . 1 . . . . . 61 G C8 . 51134 1 168 . 1 . 1 29 29 C H1' H 1 5.5566 0.0088 . 1 . . . . . 62 C H1' . 51134 1 169 . 1 . 1 29 29 C H2' H 1 4.2560 0.0131 . 1 . . . . . 62 C H2' . 51134 1 170 . 1 . 1 29 29 C H3' H 1 4.2999 0.0131 . 1 . . . . . 62 C H3' . 51134 1 171 . 1 . 1 29 29 C H5 H 1 5.2933 0.0140 . 1 . . . . . 62 C H5 . 51134 1 172 . 1 . 1 29 29 C H6 H 1 7.7476 0.0190 . 1 . . . . . 62 C H6 . 51134 1 173 . 1 . 1 29 29 C C6 C 13 141.1687 0.8414 . 1 . . . . . 62 C C6 . 51134 1 174 . 1 . 1 30 30 C H1' H 1 5.5784 0.0088 . 1 . . . . . 63 C H1' . 51134 1 175 . 1 . 1 30 30 C H2' H 1 4.0979 0.0131 . 1 . . . . . 63 C H2' . 51134 1 176 . 1 . 1 30 30 C H3' H 1 4.1312 0.0131 . 1 . . . . . 63 C H3' . 51134 1 177 . 1 . 1 30 30 C H5 H 1 5.5823 0.0210 . 1 . . . . . 63 C H5 . 51134 1 178 . 1 . 1 30 30 C H6 H 1 7.7490 0.0190 . 1 . . . . . 63 C H6 . 51134 1 179 . 1 . 1 30 30 C C6 C 13 141.2970 0.8414 . 1 . . . . . 63 C C6 . 51134 1 stop_ save_