data_52092 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52092 _Entry.Title ; Solution NMR chemical shift assignments for a subdomain construct of 7SK SL3 RNA in the SL3a state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-08-22 _Entry.Accession_date 2023-08-22 _Entry.Last_release_date 2023-08-22 _Entry.Original_release_date 2023-08-22 _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 'Chemical shift assignments of in vitro transcribed RNA construct of 7SK stem-loop 3 distal end, residues 221-255' _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 Catherine Eichhorn . D. . 0000-0001-8624-1961 52092 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52092 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 78 52092 '15N chemical shifts' 12 52092 '1H chemical shifts' 118 52092 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 . . 2023-09-11 . original BMRB . 52092 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52092 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37609139 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Visualizing a two-state conformational ensemble in stem-loop 3 of the transcriptional regulator 7SK RNA ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _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 2023 _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 Momodou Camara . B. . . 52092 1 2 Bret Lange . . . . 52092 1 3 Joseph Yesselman . D. . . 52092 1 4 Catherine Eichhorn . D. . . 52092 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52092 _Assembly.ID 1 _Assembly.Name 'SL3a-top hairpin' _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 'SL3a-top hairpin' 1 $entity_1 . . yes native no no . . . 52092 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52092 _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 ; GGCUCCAAACAAGCUCUCAA GGUCCAUUUGUAGGAGCC ; _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 38 _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 1 220 G . 52092 1 2 221 G . 52092 1 3 222 C . 52092 1 4 223 U . 52092 1 5 224 C . 52092 1 6 225 C . 52092 1 7 226 A . 52092 1 8 227 A . 52092 1 9 228 A . 52092 1 10 229 C . 52092 1 11 230 A . 52092 1 12 231 A . 52092 1 13 232 G . 52092 1 14 233 C . 52092 1 15 234 U . 52092 1 16 235 C . 52092 1 17 236 U . 52092 1 18 237 C . 52092 1 19 238 A . 52092 1 20 239 A . 52092 1 21 240 G . 52092 1 22 241 G . 52092 1 23 242 U . 52092 1 24 243 C . 52092 1 25 244 C . 52092 1 26 245 A . 52092 1 27 246 U . 52092 1 28 247 U . 52092 1 29 248 U . 52092 1 30 249 G . 52092 1 31 250 U . 52092 1 32 251 A . 52092 1 33 252 G . 52092 1 34 253 G . 52092 1 35 254 A . 52092 1 36 255 G . 52092 1 37 256 C . 52092 1 38 257 C . 52092 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 52092 1 . G 2 2 52092 1 . C 3 3 52092 1 . U 4 4 52092 1 . C 5 5 52092 1 . C 6 6 52092 1 . A 7 7 52092 1 . A 8 8 52092 1 . A 9 9 52092 1 . C 10 10 52092 1 . A 11 11 52092 1 . A 12 12 52092 1 . G 13 13 52092 1 . C 14 14 52092 1 . U 15 15 52092 1 . C 16 16 52092 1 . U 17 17 52092 1 . C 18 18 52092 1 . A 19 19 52092 1 . A 20 20 52092 1 . G 21 21 52092 1 . G 22 22 52092 1 . U 23 23 52092 1 . C 24 24 52092 1 . C 25 25 52092 1 . A 26 26 52092 1 . U 27 27 52092 1 . U 28 28 52092 1 . U 29 29 52092 1 . G 30 30 52092 1 . U 31 31 52092 1 . A 32 32 52092 1 . G 33 33 52092 1 . G 34 34 52092 1 . A 35 35 52092 1 . G 36 36 52092 1 . C 37 37 52092 1 . C 38 38 52092 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 52092 _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 . . . . . . . . . . . . . 52092 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 52092 _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 . 'enzymatic semisynthesis' . . . . . . . . . . . . . . . 'in vitro transcribed with T7 RNA Polymerase' 52092 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52092 _Sample.ID 1 _Sample.Name SL3a-top _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 'SL3a-top hairpin' 'natural abundance' . . 1 $entity_1 . . 0.8 . . mM . . . . 52092 1 2 'SL3a-top hairpin' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.8 . . mM . . . . 52092 1 3 'Sodium Phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 52092 1 4 'Potassium Chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 52092 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 52092 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'NMR buffer' _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' 50 . mM 52092 1 pH 6.0 . pH 52092 1 pressure 1 . atm 52092 1 temperature 298.15 . K 52092 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52092 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52092 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 52092 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'UNL 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 52092 _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 HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52092 1 2 '2D 1H-1H NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52092 1 3 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52092 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 52092 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name SL3a-top _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 4.7 internal indirect . . . . . . 52092 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 52092 1 N 15 water protons . . . . ppm 4.7 internal indirect . . . . . . 52092 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 52092 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name SL3a-top _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 HSQC' . . . 52092 1 2 '2D 1H-1H NOESY' . . . 52092 1 3 '2D 1H-15N HSQC' . . . 52092 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 . . 52092 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 12.969 0.011 . 1 . . . . . 220 G H1 . 52092 1 2 . 1 . 1 1 1 G H1' H 1 5.817 0.007 . 1 . . . . . 220 G H1' . 52092 1 3 . 1 . 1 1 1 G H8 H 1 8.164 0.010 . 1 . . . . . 220 G H8 . 52092 1 4 . 1 . 1 1 1 G C1' C 13 91.805 0.000 . 1 . . . . . 220 G C1' . 52092 1 5 . 1 . 1 1 1 G C8 C 13 139.784 0.000 . 1 . . . . . 220 G C8 . 52092 1 6 . 1 . 1 1 1 G N1 N 15 147.351 0.000 . 1 . . . . . 220 G N1 . 52092 1 7 . 1 . 1 2 2 G H1 H 1 13.473 0.026 . 1 . . . . . 221 G H1 . 52092 1 8 . 1 . 1 2 2 G H1' H 1 5.933 0.004 . 1 . . . . . 221 G H1' . 52092 1 9 . 1 . 1 2 2 G H8 H 1 7.673 0.009 . 1 . . . . . 221 G H8 . 52092 1 10 . 1 . 1 2 2 G C1' C 13 93.539 0.000 . 1 . . . . . 221 G C1' . 52092 1 11 . 1 . 1 2 2 G C8 C 13 137.634 0.000 . 1 . . . . . 221 G C8 . 52092 1 12 . 1 . 1 2 2 G N1 N 15 148.566 0.000 . 1 . . . . . 221 G N1 . 52092 1 13 . 1 . 1 3 3 C H1' H 1 5.690 0.003 . 1 . . . . . 222 C H1' . 52092 1 14 . 1 . 1 3 3 C H5 H 1 5.281 0.005 . 1 . . . . . 222 C H5 . 52092 1 15 . 1 . 1 3 3 C H6 H 1 7.742 0.013 . 1 . . . . . 222 C H6 . 52092 1 16 . 1 . 1 3 3 C H41 H 1 8.698 0.021 . 1 . . . . . 222 C H41 . 52092 1 17 . 1 . 1 3 3 C H42 H 1 6.972 0.056 . 1 . . . . . 222 C H42 . 52092 1 18 . 1 . 1 3 3 C C1' C 13 93.987 0.000 . 1 . . . . . 222 C C1' . 52092 1 19 . 1 . 1 3 3 C C5 C 13 97.900 0.000 . 1 . . . . . 222 C C5 . 52092 1 20 . 1 . 1 3 3 C C6 C 13 141.681 0.000 . 1 . . . . . 222 C C6 . 52092 1 21 . 1 . 1 4 4 U H1' H 1 5.565 0.003 . 1 . . . . . 223 U H1' . 52092 1 22 . 1 . 1 4 4 U H3 H 1 14.123 0.033 . 1 . . . . . 223 U H3 . 52092 1 23 . 1 . 1 4 4 U H5 H 1 5.433 0.005 . 1 . . . . . 223 U H5 . 52092 1 24 . 1 . 1 4 4 U H6 H 1 7.931 0.013 . 1 . . . . . 223 U H6 . 52092 1 25 . 1 . 1 4 4 U C1' C 13 94.458 0.000 . 1 . . . . . 223 U C1' . 52092 1 26 . 1 . 1 4 4 U C5 C 13 103.952 0.000 . 1 . . . . . 223 U C5 . 52092 1 27 . 1 . 1 4 4 U C6 C 13 142.661 0.000 . 1 . . . . . 223 U C6 . 52092 1 28 . 1 . 1 4 4 U N3 N 15 162.724 0.000 . 1 . . . . . 223 U N3 . 52092 1 29 . 1 . 1 5 5 C H1' H 1 5.514 0.002 . 1 . . . . . 224 C H1' . 52092 1 30 . 1 . 1 5 5 C H5 H 1 5.619 0.004 . 1 . . . . . 224 C H5 . 52092 1 31 . 1 . 1 5 5 C H6 H 1 7.865 0.010 . 1 . . . . . 224 C H6 . 52092 1 32 . 1 . 1 5 5 C H41 H 1 8.356 0.016 . 1 . . . . . 224 C H41 . 52092 1 33 . 1 . 1 5 5 C H42 H 1 6.872 0.026 . 1 . . . . . 224 C H42 . 52092 1 34 . 1 . 1 5 5 C C1' C 13 94.641 0.000 . 1 . . . . . 224 C C1' . 52092 1 35 . 1 . 1 5 5 C C5 C 13 98.156 0.000 . 1 . . . . . 224 C C5 . 52092 1 36 . 1 . 1 5 5 C C6 C 13 142.253 0.000 . 1 . . . . . 224 C C6 . 52092 1 37 . 1 . 1 6 6 C H1' H 1 5.359 0.009 . 1 . . . . . 225 C H1' . 52092 1 38 . 1 . 1 6 6 C H5 H 1 5.306 0.011 . 1 . . . . . 225 C H5 . 52092 1 39 . 1 . 1 6 6 C H6 H 1 7.517 0.014 . 1 . . . . . 225 C H6 . 52092 1 40 . 1 . 1 6 6 C H41 H 1 7.798 0.017 . 1 . . . . . 225 C H41 . 52092 1 41 . 1 . 1 6 6 C H42 H 1 6.684 0.033 . 1 . . . . . 225 C H42 . 52092 1 42 . 1 . 1 6 6 C C1' C 13 94.623 0.000 . 1 . . . . . 225 C C1' . 52092 1 43 . 1 . 1 6 6 C C5 C 13 98.358 0.000 . 1 . . . . . 225 C C5 . 52092 1 44 . 1 . 1 6 6 C C6 C 13 141.319 0.000 . 1 . . . . . 225 C C6 . 52092 1 45 . 1 . 1 7 7 A H1' H 1 5.821 0.018 . 1 . . . . . 226 A H1' . 52092 1 46 . 1 . 1 7 7 A H2 H 1 7.689 0.000 . 1 . . . . . 226 A H2 . 52092 1 47 . 1 . 1 7 7 A H8 H 1 8.133 0.013 . 1 . . . . . 226 A H8 . 52092 1 48 . 1 . 1 7 7 A C2 C 13 154.519 0.000 . 1 . . . . . 226 A C2 . 52092 1 49 . 1 . 1 7 7 A C8 C 13 142.553 0.000 . 1 . . . . . 226 A C8 . 52092 1 50 . 1 . 1 8 8 A H1' H 1 5.751 0.121 . 1 . . . . . 227 A H1' . 52092 1 51 . 1 . 1 8 8 A H2 H 1 7.547 0.120 . 1 . . . . . 227 A H2 . 52092 1 52 . 1 . 1 8 8 A H8 H 1 7.892 0.044 . 1 . . . . . 227 A H8 . 52092 1 53 . 1 . 1 8 8 A C8 C 13 141.642 0.000 . 1 . . . . . 227 A C8 . 52092 1 54 . 1 . 1 9 9 A H1' H 1 5.465 0.152 . 1 . . . . . 228 A H1' . 52092 1 55 . 1 . 1 9 9 A H2 H 1 7.524 0.122 . 1 . . . . . 228 A H2 . 52092 1 56 . 1 . 1 9 9 A H8 H 1 7.997 0.054 . 1 . . . . . 228 A H8 . 52092 1 57 . 1 . 1 9 9 A C2 C 13 154.639 0.000 . 1 . . . . . 228 A C2 . 52092 1 58 . 1 . 1 9 9 A C8 C 13 140.999 0.000 . 1 . . . . . 228 A C8 . 52092 1 59 . 1 . 1 10 10 C H1' H 1 5.494 0.142 . 1 . . . . . 229 C H1' . 52092 1 60 . 1 . 1 10 10 C H5 H 1 5.115 0.013 . 1 . . . . . 229 C H5 . 52092 1 61 . 1 . 1 10 10 C H6 H 1 7.341 0.012 . 1 . . . . . 229 C H6 . 52092 1 62 . 1 . 1 10 10 C H41 H 1 8.192 0.048 . 1 . . . . . 229 C H41 . 52092 1 63 . 1 . 1 10 10 C H42 H 1 6.737 0.048 . 1 . . . . . 229 C H42 . 52092 1 64 . 1 . 1 10 10 C C1' C 13 94.399 0.000 . 1 . . . . . 229 C C1' . 52092 1 65 . 1 . 1 10 10 C C5 C 13 98.442 0.000 . 1 . . . . . 229 C C5 . 52092 1 66 . 1 . 1 10 10 C C6 C 13 141.516 0.000 . 1 . . . . . 229 C C6 . 52092 1 67 . 1 . 1 11 11 A H1' H 1 5.630 0.008 . 1 . . . . . 230 A H1' . 52092 1 68 . 1 . 1 11 11 A H2 H 1 6.923 0.024 . 1 . . . . . 230 A H2 . 52092 1 69 . 1 . 1 11 11 A H8 H 1 8.110 0.016 . 1 . . . . . 230 A H8 . 52092 1 70 . 1 . 1 11 11 A C2 C 13 153.002 0.000 . 1 . . . . . 230 A C2 . 52092 1 71 . 1 . 1 11 11 A C8 C 13 140.712 0.000 . 1 . . . . . 230 A C8 . 52092 1 72 . 1 . 1 12 12 A H1' H 1 5.832 0.024 . 1 . . . . . 231 A H1' . 52092 1 73 . 1 . 1 12 12 A H2 H 1 7.627 0.004 . 1 . . . . . 231 A H2 . 52092 1 74 . 1 . 1 12 12 A H8 H 1 7.930 0.012 . 1 . . . . . 231 A H8 . 52092 1 75 . 1 . 1 12 12 A C2 C 13 155.847 0.000 . 1 . . . . . 231 A C2 . 52092 1 76 . 1 . 1 12 12 A C8 C 13 140.247 0.000 . 1 . . . . . 231 A C8 . 52092 1 77 . 1 . 1 13 13 G H1' H 1 5.408 0.005 . 1 . . . . . 232 G H1' . 52092 1 78 . 1 . 1 13 13 G H8 H 1 6.955 0.060 . 1 . . . . . 232 G H8 . 52092 1 79 . 1 . 1 13 13 G C1' C 13 93.547 0.000 . 1 . . . . . 232 G C1' . 52092 1 80 . 1 . 1 13 13 G C8 C 13 137.073 0.000 . 1 . . . . . 232 G C8 . 52092 1 81 . 1 . 1 14 14 C H1' H 1 5.370 0.000 . 1 . . . . . 233 C H1' . 52092 1 82 . 1 . 1 14 14 C H5 H 1 5.367 0.003 . 1 . . . . . 233 C H5 . 52092 1 83 . 1 . 1 14 14 C H6 H 1 7.633 0.000 . 1 . . . . . 233 C H6 . 52092 1 84 . 1 . 1 14 14 C C1' C 13 96.753 0.000 . 1 . . . . . 233 C C1' . 52092 1 85 . 1 . 1 14 14 C C5 C 13 96.753 0.000 . 1 . . . . . 233 C C5 . 52092 1 86 . 1 . 1 14 14 C C6 C 13 143.372 0.000 . 1 . . . . . 233 C C6 . 52092 1 87 . 1 . 1 15 15 U H3 H 1 11.410 0.000 . 1 . . . . . 234 U H3 . 52092 1 88 . 1 . 1 15 15 U H5 H 1 5.536 0.002 . 1 . . . . . 234 U H5 . 52092 1 89 . 1 . 1 15 15 U H6 H 1 7.843 0.000 . 1 . . . . . 234 U H6 . 52092 1 90 . 1 . 1 15 15 U C5 C 13 103.528 0.000 . 1 . . . . . 234 U C5 . 52092 1 91 . 1 . 1 15 15 U C6 C 13 144.072 0.000 . 1 . . . . . 234 U C6 . 52092 1 92 . 1 . 1 15 15 U N3 N 15 158.348 0.000 . 1 . . . . . 234 U N3 . 52092 1 93 . 1 . 1 16 16 C H5 H 1 6.277 0.634 . 1 . . . . . 235 C H5 . 52092 1 94 . 1 . 1 16 16 C H6 H 1 7.945 0.013 . 1 . . . . . 235 C H6 . 52092 1 95 . 1 . 1 16 16 C H42 H 1 6.643 0.731 . 1 . . . . . 235 C H42 . 52092 1 96 . 1 . 1 16 16 C C5 C 13 98.875 0.000 . 1 . . . . . 235 C C5 . 52092 1 97 . 1 . 1 16 16 C C6 C 13 142.434 0.000 . 1 . . . . . 235 C C6 . 52092 1 98 . 1 . 1 17 17 U H5 H 1 5.571 0.000 . 1 . . . . . 236 U H5 . 52092 1 99 . 1 . 1 17 17 U H6 H 1 7.725 0.000 . 1 . . . . . 236 U H6 . 52092 1 100 . 1 . 1 17 17 U C5 C 13 105.683 0.000 . 1 . . . . . 236 U C5 . 52092 1 101 . 1 . 1 17 17 U C6 C 13 142.557 0.000 . 1 . . . . . 236 U C6 . 52092 1 102 . 1 . 1 18 18 C H5 H 1 5.978 0.004 . 1 . . . . . 237 C H5 . 52092 1 103 . 1 . 1 18 18 C H6 H 1 7.863 0.010 . 1 . . . . . 237 C H6 . 52092 1 104 . 1 . 1 18 18 C C5 C 13 99.228 0.000 . 1 . . . . . 237 C C5 . 52092 1 105 . 1 . 1 18 18 C C6 C 13 144.824 0.000 . 1 . . . . . 237 C C6 . 52092 1 106 . 1 . 1 19 19 A H2 H 1 7.929 0.000 . 1 . . . . . 238 A H2 . 52092 1 107 . 1 . 1 19 19 A C2 C 13 155.451 0.000 . 1 . . . . . 238 A C2 . 52092 1 108 . 1 . 1 20 20 A H2 H 1 7.553 0.077 . 1 . . . . . 239 A H2 . 52092 1 109 . 1 . 1 20 20 A C2 C 13 154.612 0.000 . 1 . . . . . 239 A C2 . 52092 1 110 . 1 . 1 21 21 G H1' H 1 5.829 0.000 . 1 . . . . . 240 G H1' . 52092 1 111 . 1 . 1 22 22 G H1 H 1 13.028 0.000 . 1 . . . . . 241 G H1 . 52092 1 112 . 1 . 1 22 22 G H8 H 1 7.614 0.000 . 1 . . . . . 241 G H8 . 52092 1 113 . 1 . 1 22 22 G C8 C 13 139.765 0.000 . 1 . . . . . 241 G C8 . 52092 1 114 . 1 . 1 22 22 G N1 N 15 147.747 0.000 . 1 . . . . . 241 G N1 . 52092 1 115 . 1 . 1 23 23 U H1' H 1 5.547 0.217 . 1 . . . . . 242 U H1' . 52092 1 116 . 1 . 1 23 23 U H3 H 1 10.808 0.000 . 1 . . . . . 242 U H3 . 52092 1 117 . 1 . 1 23 23 U H5 H 1 5.268 0.002 . 1 . . . . . 242 U H5 . 52092 1 118 . 1 . 1 23 23 U H6 H 1 7.505 0.010 . 1 . . . . . 242 U H6 . 52092 1 119 . 1 . 1 23 23 U C1' C 13 94.920 0.000 . 1 . . . . . 242 U C1' . 52092 1 120 . 1 . 1 23 23 U C5 C 13 104.509 0.000 . 1 . . . . . 242 U C5 . 52092 1 121 . 1 . 1 23 23 U C6 C 13 140.991 0.000 . 1 . . . . . 242 U C6 . 52092 1 122 . 1 . 1 23 23 U N3 N 15 157.144 0.000 . 1 . . . . . 242 U N3 . 52092 1 123 . 1 . 1 24 24 C H1' H 1 5.420 0.010 . 1 . . . . . 243 C H1' . 52092 1 124 . 1 . 1 24 24 C H5 H 1 5.883 0.004 . 1 . . . . . 243 C H5 . 52092 1 125 . 1 . 1 24 24 C H6 H 1 8.068 0.012 . 1 . . . . . 243 C H6 . 52092 1 126 . 1 . 1 24 24 C C1' C 13 94.619 0.000 . 1 . . . . . 243 C C1' . 52092 1 127 . 1 . 1 24 24 C C5 C 13 98.677 0.000 . 1 . . . . . 243 C C5 . 52092 1 128 . 1 . 1 24 24 C C6 C 13 143.523 0.000 . 1 . . . . . 243 C C6 . 52092 1 129 . 1 . 1 25 25 C H1' H 1 5.761 0.017 . 1 . . . . . 244 C H1' . 52092 1 130 . 1 . 1 25 25 C H5 H 1 5.661 0.006 . 1 . . . . . 244 C H5 . 52092 1 131 . 1 . 1 25 25 C H6 H 1 7.668 0.012 . 1 . . . . . 244 C H6 . 52092 1 132 . 1 . 1 25 25 C C5 C 13 99.264 0.000 . 1 . . . . . 244 C C5 . 52092 1 133 . 1 . 1 25 25 C C6 C 13 143.413 0.000 . 1 . . . . . 244 C C6 . 52092 1 134 . 1 . 1 26 26 A H1' H 1 6.075 0.010 . 1 . . . . . 245 A H1' . 52092 1 135 . 1 . 1 26 26 A H2 H 1 7.944 0.127 . 1 . . . . . 245 A H2 . 52092 1 136 . 1 . 1 26 26 A H2' H 1 4.682 0.000 . 1 . . . . . 245 A H2' . 52092 1 137 . 1 . 1 26 26 A H8 H 1 8.365 0.013 . 1 . . . . . 245 A H8 . 52092 1 138 . 1 . 1 26 26 A C1' C 13 90.858 0.000 . 1 . . . . . 245 A C1' . 52092 1 139 . 1 . 1 26 26 A C2 C 13 155.874 0.000 . 1 . . . . . 245 A C2 . 52092 1 140 . 1 . 1 26 26 A C8 C 13 142.340 0.000 . 1 . . . . . 245 A C8 . 52092 1 141 . 1 . 1 27 27 U H1' H 1 5.895 0.004 . 1 . . . . . 246 U H1' . 52092 1 142 . 1 . 1 27 27 U H3 H 1 14.109 0.000 . 1 . . . . . 246 U H3 . 52092 1 143 . 1 . 1 27 27 U H5 H 1 5.713 0.015 . 1 . . . . . 246 U H5 . 52092 1 144 . 1 . 1 27 27 U H6 H 1 7.753 0.021 . 1 . . . . . 246 U H6 . 52092 1 145 . 1 . 1 27 27 U C1' C 13 91.349 0.000 . 1 . . . . . 246 U C1' . 52092 1 146 . 1 . 1 27 27 U C5 C 13 105.770 0.000 . 1 . . . . . 246 U C5 . 52092 1 147 . 1 . 1 27 27 U C6 C 13 143.941 0.000 . 1 . . . . . 246 U C6 . 52092 1 148 . 1 . 1 27 27 U N3 N 15 162.490 0.000 . 1 . . . . . 246 U N3 . 52092 1 149 . 1 . 1 28 28 U H5 H 1 5.682 0.000 . 1 . . . . . 247 U H5 . 52092 1 150 . 1 . 1 28 28 U H6 H 1 7.838 0.000 . 1 . . . . . 247 U H6 . 52092 1 151 . 1 . 1 28 28 U C5 C 13 104.979 0.000 . 1 . . . . . 247 U C5 . 52092 1 152 . 1 . 1 28 28 U C6 C 13 143.540 0.000 . 1 . . . . . 247 U C6 . 52092 1 153 . 1 . 1 29 29 U H1' H 1 5.909 0.002 . 1 . . . . . 248 U H1' . 52092 1 154 . 1 . 1 29 29 U H3 H 1 13.346 0.001 . 1 . . . . . 248 U H3 . 52092 1 155 . 1 . 1 29 29 U H5 H 1 5.665 0.005 . 1 . . . . . 248 U H5 . 52092 1 156 . 1 . 1 29 29 U H6 H 1 7.950 0.052 . 1 . . . . . 248 U H6 . 52092 1 157 . 1 . 1 29 29 U C5 C 13 104.454 0.000 . 1 . . . . . 248 U C5 . 52092 1 158 . 1 . 1 29 29 U C6 C 13 143.456 0.000 . 1 . . . . . 248 U C6 . 52092 1 159 . 1 . 1 29 29 U N3 N 15 162.741 0.000 . 1 . . . . . 248 U N3 . 52092 1 160 . 1 . 1 30 30 G H1 H 1 12.359 0.011 . 1 . . . . . 249 G H1 . 52092 1 161 . 1 . 1 30 30 G H1' H 1 5.857 0.019 . 1 . . . . . 249 G H1' . 52092 1 162 . 1 . 1 30 30 G H8 H 1 7.812 0.009 . 1 . . . . . 249 G H8 . 52092 1 163 . 1 . 1 30 30 G C8 C 13 137.597 0.000 . 1 . . . . . 249 G C8 . 52092 1 164 . 1 . 1 30 30 G N1 N 15 146.991 0.000 . 1 . . . . . 249 G N1 . 52092 1 165 . 1 . 1 31 31 U H5 H 1 5.209 0.002 . 1 . . . . . 250 U H5 . 52092 1 166 . 1 . 1 31 31 U H6 H 1 7.663 0.012 . 1 . . . . . 250 U H6 . 52092 1 167 . 1 . 1 31 31 U C5 C 13 104.047 0.000 . 1 . . . . . 250 U C5 . 52092 1 168 . 1 . 1 31 31 U C6 C 13 142.127 0.000 . 1 . . . . . 250 U C6 . 52092 1 169 . 1 . 1 32 32 A H1' H 1 5.803 0.000 . 1 . . . . . 251 A H1' . 52092 1 170 . 1 . 1 32 32 A H2 H 1 7.690 0.026 . 1 . . . . . 251 A H2 . 52092 1 171 . 1 . 1 32 32 A H8 H 1 7.844 0.000 . 1 . . . . . 251 A H8 . 52092 1 172 . 1 . 1 32 32 A C2 C 13 154.257 0.000 . 1 . . . . . 251 A C2 . 52092 1 173 . 1 . 1 32 32 A C8 C 13 141.032 0.000 . 1 . . . . . 251 A C8 . 52092 1 174 . 1 . 1 33 33 G H1 H 1 12.138 0.013 . 1 . . . . . 252 G H1 . 52092 1 175 . 1 . 1 33 33 G H1' H 1 5.641 0.007 . 1 . . . . . 252 G H1' . 52092 1 176 . 1 . 1 33 33 G H8 H 1 7.501 0.026 . 1 . . . . . 252 G H8 . 52092 1 177 . 1 . 1 33 33 G C8 C 13 137.219 0.000 . 1 . . . . . 252 G C8 . 52092 1 178 . 1 . 1 33 33 G N1 N 15 147.694 0.000 . 1 . . . . . 252 G N1 . 52092 1 179 . 1 . 1 34 34 G H1 H 1 12.176 0.015 . 1 . . . . . 253 G H1 . 52092 1 180 . 1 . 1 34 34 G H1' H 1 5.659 0.000 . 1 . . . . . 253 G H1' . 52092 1 181 . 1 . 1 34 34 G H8 H 1 7.134 0.005 . 1 . . . . . 253 G H8 . 52092 1 182 . 1 . 1 34 34 G C8 C 13 136.904 0.000 . 1 . . . . . 253 G C8 . 52092 1 183 . 1 . 1 34 34 G N1 N 15 146.974 0.000 . 1 . . . . . 253 G N1 . 52092 1 184 . 1 . 1 35 35 A H1' H 1 5.924 0.005 . 1 . . . . . 254 A H1' . 52092 1 185 . 1 . 1 35 35 A H2 H 1 7.413 0.017 . 1 . . . . . 254 A H2 . 52092 1 186 . 1 . 1 35 35 A H8 H 1 7.697 0.011 . 1 . . . . . 254 A H8 . 52092 1 187 . 1 . 1 35 35 A C1' C 13 93.471 0.000 . 1 . . . . . 254 A C1' . 52092 1 188 . 1 . 1 35 35 A C2 C 13 153.876 0.000 . 1 . . . . . 254 A C2 . 52092 1 189 . 1 . 1 35 35 A C8 C 13 139.924 0.000 . 1 . . . . . 254 A C8 . 52092 1 190 . 1 . 1 36 36 G H1 H 1 13.463 0.020 . 1 . . . . . 255 G H1 . 52092 1 191 . 1 . 1 36 36 G H1' H 1 5.622 0.005 . 1 . . . . . 255 G H1' . 52092 1 192 . 1 . 1 36 36 G H8 H 1 7.189 0.015 . 1 . . . . . 255 G H8 . 52092 1 193 . 1 . 1 36 36 G C1' C 13 93.356 0.000 . 1 . . . . . 255 G C1' . 52092 1 194 . 1 . 1 36 36 G C8 C 13 136.339 0.000 . 1 . . . . . 255 G C8 . 52092 1 195 . 1 . 1 36 36 G N1 N 15 148.551 0.000 . 1 . . . . . 255 G N1 . 52092 1 196 . 1 . 1 37 37 C H1' H 1 5.522 0.002 . 1 . . . . . 256 C H1' . 52092 1 197 . 1 . 1 37 37 C H5 H 1 5.175 0.002 . 1 . . . . . 256 C H5 . 52092 1 198 . 1 . 1 37 37 C H6 H 1 7.602 0.016 . 1 . . . . . 256 C H6 . 52092 1 199 . 1 . 1 37 37 C H41 H 1 8.642 0.008 . 1 . . . . . 256 C H41 . 52092 1 200 . 1 . 1 37 37 C H42 H 1 6.934 0.050 . 1 . . . . . 256 C H42 . 52092 1 201 . 1 . 1 37 37 C C5 C 13 97.801 0.000 . 1 . . . . . 256 C C5 . 52092 1 202 . 1 . 1 37 37 C C6 C 13 141.532 0.000 . 1 . . . . . 256 C C6 . 52092 1 203 . 1 . 1 38 38 C H5 H 1 5.529 0.002 . 1 . . . . . 257 C H5 . 52092 1 204 . 1 . 1 38 38 C H6 H 1 7.668 0.012 . 1 . . . . . 257 C H6 . 52092 1 205 . 1 . 1 38 38 C H41 H 1 8.447 0.020 . 1 . . . . . 257 C H41 . 52092 1 206 . 1 . 1 38 38 C H42 H 1 7.011 0.029 . 1 . . . . . 257 C H42 . 52092 1 207 . 1 . 1 38 38 C C5 C 13 98.972 0.000 . 1 . . . . . 257 C C5 . 52092 1 208 . 1 . 1 38 38 C C6 C 13 142.299 0.000 . 1 . . . . . 257 C C6 . 52092 1 stop_ save_