data_50346 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50346 _Entry.Title ; Assignment of base 15N and 1H chemical shifts for 5_SL5a ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-06-23 _Entry.Accession_date 2020-06-23 _Entry.Last_release_date 2020-06-23 _Entry.Original_release_date 2020-06-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _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 Harald Schwalbe . . . . 50346 2 Christian Richter . . . . 50346 3 Robbin Schnieders . . . . 50346 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 50346 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 261 50346 '15N chemical shifts' 100 50346 '1H chemical shifts' 179 50346 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 3 . . 2020-12-18 2020-06-23 update BMRB 'update entry citation' 50346 2 . . 2020-12-10 2020-06-23 update author 'update assignments' 50346 1 . . 2020-07-10 2020-06-23 original author 'original release' 50346 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50339 'chemical shifts of the 5_SL5B+C' 50346 BMRB 50340 'chemical shifts of the 5_SL5stem' 50346 BMRB 50341 'chemical shifts of the 3_s2m' 50346 BMRB 50342 'chemical shifts of the 3_SL1' 50346 BMRB 50343 'chemical shifts of the 2_SL3' 50346 BMRB 50344 'chemical shifts of the 5_SL2+3' 50346 BMRB 50347 'chemical shifts of the 5_SL4' 50346 BMRB 50348 'chemical shifts of the PK (Pseudoknot)' 50346 BMRB 50349 'chemical shifts of the 5_SL1' 50346 BMRB 50350 'chemical shifts of the 3_SL3base' 50346 BMRB 50351 'chemical shifts of the 5_SL6' 50346 BMRB 50352 'chemical shifts of the 5_SL8' 50346 NCBI NC_045512.2 'Severe acute respiratory syndrome coronavirus 2 isolate Wuhan-Hu-1, complete genome.' 50346 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50346 _Citation.ID 1 _Citation.Name 'citations 1' _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33167030 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Secondary structure determination of conserved SARS-CoV-2 RNA elements by NMR spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 48 _Citation.Journal_issue 22 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1362-4962 _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 12415 _Citation.Page_last 12435 _Citation.Year 2020 _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 Anna Wacker . . . . 50346 1 2 Julia Weigand . E. . . 50346 1 3 Sabine Akabayov . R. . . 50346 1 4 Nadide Altincekic . . . . 50346 1 5 Jasleen 'Kaur Bains' . . . . 50346 1 6 Elnaz Banijamali . . . . 50346 1 7 Oliver Binas . . . . 50346 1 8 Jesus Castillo-Martinez . . . . 50346 1 9 Erhan Cetiner . . . . 50346 1 10 Betul Ceylan . . . . 50346 1 11 Liang-Yuan Chiu . . . . 50346 1 12 Jesse Davila-Calderon . . . . 50346 1 13 Vanessa 'De Jesus' . . . . 50346 1 14 Karthikeyan Dhamotharan . . . . 50346 1 15 Elke Duchardt-Ferner . . . . 50346 1 16 Jan Ferner . . . . 50346 1 17 Lucio Frydman . . . . 50346 1 18 Boris Furtig . . . . 50346 1 19 Jose Gallego . . . . 50346 1 20 'J. Tassilo' Grun . . . . 50346 1 21 Carolin Hacker . . . . 50346 1 22 Christina Haddad . . . . 50346 1 23 Martin Hahnke . . . . 50346 1 24 Martin Hengesbach . . . . 50346 1 25 Fabian Hiller . . . . 50346 1 26 Katharina Hohmann . F. . . 50346 1 27 Daniel Hymon . . . . 50346 1 28 Henry Jonker . . . . 50346 1 29 Heiko Keller . . . . 50346 1 30 Bozana Knezic . . . . 50346 1 31 Tom Landgraf . . . . 50346 1 32 Frank Lohr . . . . 50346 1 33 Luke Luo . . . . 50346 1 34 Klara Mertinkus . R. . . 50346 1 35 Christina Muhs . . . . 50346 1 36 Mihajlo Novakovic . . . . 50346 1 37 Andreas Oxenfarth . . . . 50346 1 38 Martina Palomino-Schatzlein . . . . 50346 1 39 Katja Petzold . . . . 50346 1 40 Stephen Peter . A. . . 50346 1 41 Dennis Pyper . J. . . 50346 1 42 Nusrat Qureshi . S. . . 50346 1 43 Magdalena Riad . . . . 50346 1 44 Christian Richter . . . . 50346 1 45 Krishna Saxena . . . . 50346 1 46 Tatjana Schamber . . . . 50346 1 47 Tali Scherf . . . . 50346 1 48 Judith Schlagnitweit . . . . 50346 1 49 Andreas Schlundt . . . . 50346 1 50 Robbin Schnieders . . . . 50346 1 51 Harald Schwalbe . . . . 50346 1 52 Alvaro Simba-Lahuasi . . . . 50346 1 53 Sridhar Sreeramulu . . . . 50346 1 54 Elke Stirnal . . . . 50346 1 55 Alexey Sudakov . . . . 50346 1 56 Jan-Niklas Tants . . . . 50346 1 57 Blanton Tolbert . S. . . 50346 1 58 Jenny Vogele . . . . 50346 1 59 Lena Weiss . . . . 50346 1 60 Julia Wirmer-Bartoschek . . . . 50346 1 61 Maria 'Wirtz Martin' . A. . . 50346 1 62 Jens Wohnert . . . . 50346 1 63 Heidi Zetzsche . . . . 50346 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50346 _Assembly.ID 1 _Assembly.Name 5_SL5A _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 5_SL5A 1 $entity_1 . . yes native no no . . . 50346 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50346 _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 ; GGGCUGCUUACGGUUUCGUC CGUGUUGCAGCCC ; _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 33 _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 -1 G . 50346 1 2 188 G . 50346 1 3 189 G . 50346 1 4 190 C . 50346 1 5 191 U . 50346 1 6 192 G . 50346 1 7 193 C . 50346 1 8 194 U . 50346 1 9 195 U . 50346 1 10 196 A . 50346 1 11 197 C . 50346 1 12 198 G . 50346 1 13 199 G . 50346 1 14 200 U . 50346 1 15 201 U . 50346 1 16 202 U . 50346 1 17 203 C . 50346 1 18 204 G . 50346 1 19 205 U . 50346 1 20 206 C . 50346 1 21 207 C . 50346 1 22 208 G . 50346 1 23 209 U . 50346 1 24 210 G . 50346 1 25 211 U . 50346 1 26 212 U . 50346 1 27 213 G . 50346 1 28 214 C . 50346 1 29 215 A . 50346 1 30 216 G . 50346 1 31 217 C . 50346 1 32 218 C . 50346 1 33 1 C . 50346 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 50346 1 . G 2 2 50346 1 . G 3 3 50346 1 . C 4 4 50346 1 . U 5 5 50346 1 . G 6 6 50346 1 . C 7 7 50346 1 . U 8 8 50346 1 . U 9 9 50346 1 . A 10 10 50346 1 . C 11 11 50346 1 . G 12 12 50346 1 . G 13 13 50346 1 . U 14 14 50346 1 . U 15 15 50346 1 . U 16 16 50346 1 . C 17 17 50346 1 . G 18 18 50346 1 . U 19 19 50346 1 . C 20 20 50346 1 . C 21 21 50346 1 . G 22 22 50346 1 . U 23 23 50346 1 . G 24 24 50346 1 . U 25 25 50346 1 . U 26 26 50346 1 . G 27 27 50346 1 . C 28 28 50346 1 . A 29 29 50346 1 . G 30 30 50346 1 . C 31 31 50346 1 . C 32 32 50346 1 . C 33 33 50346 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 50346 _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 . 2697049 organism . 'Severe acute respiratory syndrome coronavirus 2' SARS-CoV-2 . . Viruses . Betacoronavirus HCoV-SARS SARS-CoV-2 . . . . . . . . . . . . 50346 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 50346 _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 . transcription 'in vitro' . . . . . . . . . . . . . . . 50346 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50346 _Sample.ID 1 _Sample.Name 5_SL5A _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '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 5_SL5A [U-15N] . . 1 $entity_1 . . 807 . . uM . . . . 50346 1 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 50346 1 3 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 50346 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 50346 _Sample_condition_list.ID 1 _Sample_condition_list.Name '5_SL5A 298K' _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' 75 . mM 50346 1 pH 6.2 . pH 50346 1 pressure 1 . atm 50346 1 temperature 298 . K 50346 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 50346 _Sample_condition_list.ID 2 _Sample_condition_list.Name '5_SL5A 283K' _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' 75 . mM 50346 2 pH 6.2 . pH 50346 2 pressure 1 . atm 50346 2 temperature 283 . K 50346 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50346 _Software.ID 1 _Software.Type . _Software.Name LOGS _Software.Version 2.2 _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 50346 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50346 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version 3.114 _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 50346 2 . 'peak picking' 50346 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50346 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.6.2 _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 50346 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 50346 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'NMR spectrometer 1' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVIII _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 50346 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 NOESY-JR[15N]-Amino no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50346 1 2 HSQC[15N] no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50346 1 3 HSQC[15N]-2J no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50346 1 4 HSQC[15N]-2J no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50346 1 5 TROSY[15N] no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50346 1 6 HNN-COSY[15N] no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50346 1 7 HSQC[15N]-Amino no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50346 1 8 TOCSY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50346 1 9 HNN-COSY[15N] no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50346 1 10 '2D HSQC HC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50346 1 11 NOESY[15N]-Imino no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50346 1 12 NOESY-JR[15N]-Amino no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50346 1 13 HSQC[15N] no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50346 1 14 HSQC[15N]-2J no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50346 1 15 HSQC[15N]-2J no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50346 1 16 TROSY[15N] no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50346 1 17 HNN-COSY[15N] no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50346 1 18 HSQC[15N]-Amino no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50346 1 19 TOCSY no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50346 1 20 HNN-COSY[15N] no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50346 1 21 '2D HSQC HC' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50346 1 22 NOESY[15N]-Imino no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50346 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 50346 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Chemical shift reference DSS' _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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 50346 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50346 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50346 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 50346 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Chemical shift list' _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 NOESY-JR[15N]-Amino . . . 50346 1 2 HSQC[15N] . . . 50346 1 3 HSQC[15N]-2J . . . 50346 1 4 HSQC[15N]-2J . . . 50346 1 5 TROSY[15N] . . . 50346 1 6 HNN-COSY[15N] . . . 50346 1 7 HSQC[15N]-Amino . . . 50346 1 8 TOCSY . . . 50346 1 9 HNN-COSY[15N] . . . 50346 1 10 '2D HSQC HC' . . . 50346 1 11 NOESY[15N]-Imino . . . 50346 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 2 $software_2 . . 50346 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 5.833 0.001 . . . . . . . -1 G H1' . 50346 1 2 . 1 . 1 1 1 G H8 H 1 8.144 0.004 . . . . . . . -1 G H8 . 50346 1 3 . 1 . 1 1 1 G C8 C 13 139.095 0.000 . . . . . . . -1 G C8 . 50346 1 4 . 1 . 1 1 1 G N7 N 15 232.177 0.000 . . . . . . . -1 G N7 . 50346 1 5 . 1 . 1 1 1 G N9 N 15 169.075 0.000 . . . . . . . -1 G N9 . 50346 1 6 . 1 . 1 2 2 G H1 H 1 12.853 0.001 . . . . . . . 188 G H1 . 50346 1 7 . 1 . 1 2 2 G H1' H 1 5.935 0.004 . . . . . . . 188 G H1' . 50346 1 8 . 1 . 1 2 2 G H8 H 1 7.556 0.003 . . . . . . . 188 G H8 . 50346 1 9 . 1 . 1 2 2 G C1' C 13 92.817 0.033 . . . . . . . 188 G C1' . 50346 1 10 . 1 . 1 2 2 G C2' C 13 75.322 0.000 . . . . . . . 188 G C2' . 50346 1 11 . 1 . 1 2 2 G C3' C 13 72.820 0.000 . . . . . . . 188 G C3' . 50346 1 12 . 1 . 1 2 2 G C4' C 13 82.158 0.000 . . . . . . . 188 G C4' . 50346 1 13 . 1 . 1 2 2 G C5' C 13 66.175 0.000 . . . . . . . 188 G C5' . 50346 1 14 . 1 . 1 2 2 G C8 C 13 136.787 0.018 . . . . . . . 188 G C8 . 50346 1 15 . 1 . 1 2 2 G N1 N 15 147.864 0.000 . . . . . . . 188 G N1 . 50346 1 16 . 1 . 1 2 2 G N7 N 15 234.072 0.000 . . . . . . . 188 G N7 . 50346 1 17 . 1 . 1 2 2 G N9 N 15 169.815 0.046 . . . . . . . 188 G N9 . 50346 1 18 . 1 . 1 3 3 G H1 H 1 13.277 0.004 . . . . . . . 189 G H1 . 50346 1 19 . 1 . 1 3 3 G H1' H 1 5.796 0.004 . . . . . . . 189 G H1' . 50346 1 20 . 1 . 1 3 3 G H8 H 1 7.255 0.006 . . . . . . . 189 G H8 . 50346 1 21 . 1 . 1 3 3 G C1' C 13 93.119 0.048 . . . . . . . 189 G C1' . 50346 1 22 . 1 . 1 3 3 G C2' C 13 75.286 0.000 . . . . . . . 189 G C2' . 50346 1 23 . 1 . 1 3 3 G C3' C 13 72.753 0.000 . . . . . . . 189 G C3' . 50346 1 24 . 1 . 1 3 3 G C4 C 13 151.768 0.000 . . . . . . . 189 G C4 . 50346 1 25 . 1 . 1 3 3 G C4' C 13 81.984 0.000 . . . . . . . 189 G C4' . 50346 1 26 . 1 . 1 3 3 G C5 C 13 119.292 0.000 . . . . . . . 189 G C5 . 50346 1 27 . 1 . 1 3 3 G C5' C 13 65.505 0.000 . . . . . . . 189 G C5' . 50346 1 28 . 1 . 1 3 3 G C6 C 13 161.766 0.000 . . . . . . . 189 G C6 . 50346 1 29 . 1 . 1 3 3 G C8 C 13 135.973 0.053 . . . . . . . 189 G C8 . 50346 1 30 . 1 . 1 3 3 G N1 N 15 148.994 0.000 . . . . . . . 189 G N1 . 50346 1 31 . 1 . 1 3 3 G N7 N 15 234.246 0.000 . . . . . . . 189 G N7 . 50346 1 32 . 1 . 1 3 3 G N9 N 15 169.310 0.055 . . . . . . . 189 G N9 . 50346 1 33 . 1 . 1 4 4 C H1' H 1 5.534 0.002 . . . . . . . 190 C H1' . 50346 1 34 . 1 . 1 4 4 C H5 H 1 5.235 0.002 . . . . . . . 190 C H5 . 50346 1 35 . 1 . 1 4 4 C H6 H 1 7.585 0.003 . . . . . . . 190 C H6 . 50346 1 36 . 1 . 1 4 4 C H41 H 1 8.612 0.002 . . . . . . . 190 C H41 . 50346 1 37 . 1 . 1 4 4 C H42 H 1 6.929 0.003 . . . . . . . 190 C H42 . 50346 1 38 . 1 . 1 4 4 C C1' C 13 94.074 0.025 . . . . . . . 190 C C1' . 50346 1 39 . 1 . 1 4 4 C C2' C 13 75.462 0.000 . . . . . . . 190 C C2' . 50346 1 40 . 1 . 1 4 4 C C3' C 13 72.198 0.000 . . . . . . . 190 C C3' . 50346 1 41 . 1 . 1 4 4 C C4' C 13 81.823 0.000 . . . . . . . 190 C C4' . 50346 1 42 . 1 . 1 4 4 C C5' C 13 64.628 0.000 . . . . . . . 190 C C5' . 50346 1 43 . 1 . 1 4 4 C C6 C 13 140.970 0.030 . . . . . . . 190 C C6 . 50346 1 44 . 1 . 1 4 4 C N1 N 15 151.070 0.000 . . . . . . . 190 C N1 . 50346 1 45 . 1 . 1 4 4 C N3 N 15 197.760 0.000 . . . . . . . 190 C N3 . 50346 1 46 . 1 . 1 4 4 C N4 N 15 98.617 0.013 . . . . . . . 190 C N4 . 50346 1 47 . 1 . 1 5 5 U H1' H 1 5.547 0.003 . . . . . . . 191 U H1' . 50346 1 48 . 1 . 1 5 5 U H3 H 1 13.495 0.004 . . . . . . . 191 U H3 . 50346 1 49 . 1 . 1 5 5 U H5 H 1 5.447 0.004 . . . . . . . 191 U H5 . 50346 1 50 . 1 . 1 5 5 U H6 H 1 7.819 0.002 . . . . . . . 191 U H6 . 50346 1 51 . 1 . 1 5 5 U C1' C 13 93.735 0.034 . . . . . . . 191 U C1' . 50346 1 52 . 1 . 1 5 5 U C2' C 13 75.180 0.000 . . . . . . . 191 U C2' . 50346 1 53 . 1 . 1 5 5 U C3' C 13 72.398 0.000 . . . . . . . 191 U C3' . 50346 1 54 . 1 . 1 5 5 U C4' C 13 81.838 0.000 . . . . . . . 191 U C4' . 50346 1 55 . 1 . 1 5 5 U C5 C 13 103.953 0.000 . . . . . . . 191 U C5 . 50346 1 56 . 1 . 1 5 5 U C5' C 13 64.848 0.000 . . . . . . . 191 U C5' . 50346 1 57 . 1 . 1 5 5 U C6 C 13 141.589 0.017 . . . . . . . 191 U C6 . 50346 1 58 . 1 . 1 5 5 U N1 N 15 145.866 0.004 . . . . . . . 191 U N1 . 50346 1 59 . 1 . 1 5 5 U N3 N 15 162.202 0.000 . . . . . . . 191 U N3 . 50346 1 60 . 1 . 1 6 6 G H1 H 1 12.515 0.002 . . . . . . . 192 G H1 . 50346 1 61 . 1 . 1 6 6 G H1' H 1 5.808 0.004 . . . . . . . 192 G H1' . 50346 1 62 . 1 . 1 6 6 G H8 H 1 7.780 0.004 . . . . . . . 192 G H8 . 50346 1 63 . 1 . 1 6 6 G C1' C 13 92.465 0.048 . . . . . . . 192 G C1' . 50346 1 64 . 1 . 1 6 6 G C2' C 13 75.536 0.000 . . . . . . . 192 G C2' . 50346 1 65 . 1 . 1 6 6 G C3' C 13 72.542 0.000 . . . . . . . 192 G C3' . 50346 1 66 . 1 . 1 6 6 G C4 C 13 151.847 0.000 . . . . . . . 192 G C4 . 50346 1 67 . 1 . 1 6 6 G C4' C 13 81.780 0.000 . . . . . . . 192 G C4' . 50346 1 68 . 1 . 1 6 6 G C5 C 13 118.725 0.000 . . . . . . . 192 G C5 . 50346 1 69 . 1 . 1 6 6 G C5' C 13 65.179 0.000 . . . . . . . 192 G C5' . 50346 1 70 . 1 . 1 6 6 G C6 C 13 161.308 0.000 . . . . . . . 192 G C6 . 50346 1 71 . 1 . 1 6 6 G C8 C 13 136.436 0.031 . . . . . . . 192 G C8 . 50346 1 72 . 1 . 1 6 6 G N1 N 15 147.655 0.000 . . . . . . . 192 G N1 . 50346 1 73 . 1 . 1 6 6 G N7 N 15 234.849 0.000 . . . . . . . 192 G N7 . 50346 1 74 . 1 . 1 6 6 G N9 N 15 170.051 0.057 . . . . . . . 192 G N9 . 50346 1 75 . 1 . 1 7 7 C H1' H 1 5.451 0.002 . . . . . . . 193 C H1' . 50346 1 76 . 1 . 1 7 7 C H5 H 1 5.227 0.003 . . . . . . . 193 C H5 . 50346 1 77 . 1 . 1 7 7 C H6 H 1 7.446 0.002 . . . . . . . 193 C H6 . 50346 1 78 . 1 . 1 7 7 C H41 H 1 8.250 0.003 . . . . . . . 193 C H41 . 50346 1 79 . 1 . 1 7 7 C H42 H 1 6.908 0.006 . . . . . . . 193 C H42 . 50346 1 80 . 1 . 1 7 7 C C1' C 13 93.790 0.013 . . . . . . . 193 C C1' . 50346 1 81 . 1 . 1 7 7 C C2' C 13 75.655 0.000 . . . . . . . 193 C C2' . 50346 1 82 . 1 . 1 7 7 C C3' C 13 72.221 0.000 . . . . . . . 193 C C3' . 50346 1 83 . 1 . 1 7 7 C C4' C 13 81.852 0.000 . . . . . . . 193 C C4' . 50346 1 84 . 1 . 1 7 7 C C5' C 13 64.892 0.000 . . . . . . . 193 C C5' . 50346 1 85 . 1 . 1 7 7 C C6 C 13 140.505 0.015 . . . . . . . 193 C C6 . 50346 1 86 . 1 . 1 7 7 C N1 N 15 151.335 0.005 . . . . . . . 193 C N1 . 50346 1 87 . 1 . 1 7 7 C N3 N 15 196.527 0.000 . . . . . . . 193 C N3 . 50346 1 88 . 1 . 1 7 7 C N4 N 15 98.779 0.006 . . . . . . . 193 C N4 . 50346 1 89 . 1 . 1 8 8 U H1' H 1 5.623 0.001 . . . . . . . 194 U H1' . 50346 1 90 . 1 . 1 8 8 U H3 H 1 11.253 0.003 . . . . . . . 194 U H3 . 50346 1 91 . 1 . 1 8 8 U H4' H 1 4.366 0.000 . . . . . . . 194 U H4' . 50346 1 92 . 1 . 1 8 8 U H5 H 1 5.586 0.004 . . . . . . . 194 U H5 . 50346 1 93 . 1 . 1 8 8 U H6 H 1 7.735 0.002 . . . . . . . 194 U H6 . 50346 1 94 . 1 . 1 8 8 U C1' C 13 94.052 0.041 . . . . . . . 194 U C1' . 50346 1 95 . 1 . 1 8 8 U C2' C 13 75.686 0.000 . . . . . . . 194 U C2' . 50346 1 96 . 1 . 1 8 8 U C3' C 13 72.216 0.000 . . . . . . . 194 U C3' . 50346 1 97 . 1 . 1 8 8 U C4' C 13 82.605 0.054 . . . . . . . 194 U C4' . 50346 1 98 . 1 . 1 8 8 U C5 C 13 104.722 0.000 . . . . . . . 194 U C5 . 50346 1 99 . 1 . 1 8 8 U C5' C 13 64.533 0.000 . . . . . . . 194 U C5' . 50346 1 100 . 1 . 1 8 8 U C6 C 13 141.057 0.028 . . . . . . . 194 U C6 . 50346 1 101 . 1 . 1 8 8 U N1 N 15 146.206 0.021 . . . . . . . 194 U N1 . 50346 1 102 . 1 . 1 9 9 U H1' H 1 5.609 0.008 . . . . . . . 195 U H1' . 50346 1 103 . 1 . 1 9 9 U H4' H 1 4.422 0.001 . . . . . . . 195 U H4' . 50346 1 104 . 1 . 1 9 9 U H5 H 1 5.608 0.006 . . . . . . . 195 U H5 . 50346 1 105 . 1 . 1 9 9 U H5'' H 1 4.099 0.000 . . . . . . . 195 U H5'' . 50346 1 106 . 1 . 1 9 9 U H6 H 1 7.799 0.002 . . . . . . . 195 U H6 . 50346 1 107 . 1 . 1 9 9 U C1' C 13 91.996 0.036 . . . . . . . 195 U C1' . 50346 1 108 . 1 . 1 9 9 U C4' C 13 83.686 0.019 . . . . . . . 195 U C4' . 50346 1 109 . 1 . 1 9 9 U C5 C 13 104.667 0.000 . . . . . . . 195 U C5 . 50346 1 110 . 1 . 1 9 9 U C5' C 13 65.881 0.000 . . . . . . . 195 U C5' . 50346 1 111 . 1 . 1 9 9 U C6 C 13 142.696 0.017 . . . . . . . 195 U C6 . 50346 1 112 . 1 . 1 9 9 U N1 N 15 145.555 0.052 . . . . . . . 195 U N1 . 50346 1 113 . 1 . 1 10 10 A H1' H 1 5.969 0.004 . . . . . . . 196 A H1' . 50346 1 114 . 1 . 1 10 10 A H2 H 1 7.683 0.002 . . . . . . . 196 A H2 . 50346 1 115 . 1 . 1 10 10 A H8 H 1 8.388 0.004 . . . . . . . 196 A H8 . 50346 1 116 . 1 . 1 10 10 A C1' C 13 92.052 0.059 . . . . . . . 196 A C1' . 50346 1 117 . 1 . 1 10 10 A C2 C 13 153.709 0.017 . . . . . . . 196 A C2 . 50346 1 118 . 1 . 1 10 10 A C4 C 13 149.929 0.008 . . . . . . . 196 A C4 . 50346 1 119 . 1 . 1 10 10 A C5 C 13 121.302 0.005 . . . . . . . 196 A C5 . 50346 1 120 . 1 . 1 10 10 A C5' C 13 65.931 0.000 . . . . . . . 196 A C5' . 50346 1 121 . 1 . 1 10 10 A C6 C 13 158.159 0.026 . . . . . . . 196 A C6 . 50346 1 122 . 1 . 1 10 10 A C8 C 13 141.107 0.039 . . . . . . . 196 A C8 . 50346 1 123 . 1 . 1 10 10 A N1 N 15 223.024 0.002 . . . . . . . 196 A N1 . 50346 1 124 . 1 . 1 10 10 A N3 N 15 213.817 0.000 . . . . . . . 196 A N3 . 50346 1 125 . 1 . 1 10 10 A N7 N 15 230.371 0.000 . . . . . . . 196 A N7 . 50346 1 126 . 1 . 1 10 10 A N9 N 15 170.262 0.000 . . . . . . . 196 A N9 . 50346 1 127 . 1 . 1 11 11 C H1' H 1 5.509 0.002 . . . . . . . 197 C H1' . 50346 1 128 . 1 . 1 11 11 C H5 H 1 5.195 0.002 . . . . . . . 197 C H5 . 50346 1 129 . 1 . 1 11 11 C H6 H 1 7.507 0.005 . . . . . . . 197 C H6 . 50346 1 130 . 1 . 1 11 11 C H41 H 1 8.217 0.003 . . . . . . . 197 C H41 . 50346 1 131 . 1 . 1 11 11 C H42 H 1 6.729 0.003 . . . . . . . 197 C H42 . 50346 1 132 . 1 . 1 11 11 C C1' C 13 93.638 0.042 . . . . . . . 197 C C1' . 50346 1 133 . 1 . 1 11 11 C C2' C 13 75.514 0.000 . . . . . . . 197 C C2' . 50346 1 134 . 1 . 1 11 11 C C3' C 13 72.578 0.000 . . . . . . . 197 C C3' . 50346 1 135 . 1 . 1 11 11 C C4' C 13 81.926 0.000 . . . . . . . 197 C C4' . 50346 1 136 . 1 . 1 11 11 C C5' C 13 65.491 0.000 . . . . . . . 197 C C5' . 50346 1 137 . 1 . 1 11 11 C C6 C 13 140.745 0.019 . . . . . . . 197 C C6 . 50346 1 138 . 1 . 1 11 11 C N1 N 15 150.741 0.018 . . . . . . . 197 C N1 . 50346 1 139 . 1 . 1 11 11 C N3 N 15 197.342 0.000 . . . . . . . 197 C N3 . 50346 1 140 . 1 . 1 11 11 C N4 N 15 97.549 0.001 . . . . . . . 197 C N4 . 50346 1 141 . 1 . 1 12 12 G H1 H 1 12.562 0.003 . . . . . . . 198 G H1 . 50346 1 142 . 1 . 1 12 12 G H1' H 1 5.724 0.001 . . . . . . . 198 G H1' . 50346 1 143 . 1 . 1 12 12 G H8 H 1 7.501 0.003 . . . . . . . 198 G H8 . 50346 1 144 . 1 . 1 12 12 G C1' C 13 92.897 0.018 . . . . . . . 198 G C1' . 50346 1 145 . 1 . 1 12 12 G C2' C 13 75.129 0.000 . . . . . . . 198 G C2' . 50346 1 146 . 1 . 1 12 12 G C3' C 13 72.857 0.000 . . . . . . . 198 G C3' . 50346 1 147 . 1 . 1 12 12 G C4' C 13 81.896 0.000 . . . . . . . 198 G C4' . 50346 1 148 . 1 . 1 12 12 G C5' C 13 66.068 0.000 . . . . . . . 198 G C5' . 50346 1 149 . 1 . 1 12 12 G C8 C 13 136.209 0.033 . . . . . . . 198 G C8 . 50346 1 150 . 1 . 1 12 12 G N1 N 15 147.041 0.000 . . . . . . . 198 G N1 . 50346 1 151 . 1 . 1 12 12 G N7 N 15 234.790 0.000 . . . . . . . 198 G N7 . 50346 1 152 . 1 . 1 12 12 G N9 N 15 169.221 0.000 . . . . . . . 198 G N9 . 50346 1 153 . 1 . 1 13 13 G H1 H 1 13.362 0.004 . . . . . . . 199 G H1 . 50346 1 154 . 1 . 1 13 13 G H1' H 1 5.741 0.001 . . . . . . . 199 G H1' . 50346 1 155 . 1 . 1 13 13 G H8 H 1 7.240 0.003 . . . . . . . 199 G H8 . 50346 1 156 . 1 . 1 13 13 G C1' C 13 93.298 0.018 . . . . . . . 199 G C1' . 50346 1 157 . 1 . 1 13 13 G C2' C 13 75.581 0.000 . . . . . . . 199 G C2' . 50346 1 158 . 1 . 1 13 13 G C3' C 13 72.586 0.000 . . . . . . . 199 G C3' . 50346 1 159 . 1 . 1 13 13 G C4 C 13 151.987 0.000 . . . . . . . 199 G C4 . 50346 1 160 . 1 . 1 13 13 G C4' C 13 82.101 0.000 . . . . . . . 199 G C4' . 50346 1 161 . 1 . 1 13 13 G C5 C 13 119.161 0.000 . . . . . . . 199 G C5 . 50346 1 162 . 1 . 1 13 13 G C5' C 13 65.045 0.000 . . . . . . . 199 G C5' . 50346 1 163 . 1 . 1 13 13 G C6 C 13 161.922 0.000 . . . . . . . 199 G C6 . 50346 1 164 . 1 . 1 13 13 G C8 C 13 136.317 0.029 . . . . . . . 199 G C8 . 50346 1 165 . 1 . 1 13 13 G N1 N 15 148.778 0.000 . . . . . . . 199 G N1 . 50346 1 166 . 1 . 1 13 13 G N7 N 15 235.371 0.000 . . . . . . . 199 G N7 . 50346 1 167 . 1 . 1 13 13 G N9 N 15 169.575 0.052 . . . . . . . 199 G N9 . 50346 1 168 . 1 . 1 14 14 U H5 H 1 5.188 0.005 . . . . . . . 200 U H5 . 50346 1 169 . 1 . 1 14 14 U H6 H 1 7.525 0.003 . . . . . . . 200 U H6 . 50346 1 170 . 1 . 1 14 14 U C5 C 13 104.614 0.000 . . . . . . . 200 U C5 . 50346 1 171 . 1 . 1 14 14 U C6 C 13 142.032 0.000 . . . . . . . 200 U C6 . 50346 1 172 . 1 . 1 14 14 U N1 N 15 143.955 0.000 . . . . . . . 200 U N1 . 50346 1 173 . 1 . 1 15 15 U H5 H 1 5.814 0.002 . . . . . . . 201 U H5 . 50346 1 174 . 1 . 1 15 15 U H6 H 1 7.911 0.002 . . . . . . . 201 U H6 . 50346 1 175 . 1 . 1 15 15 U C1' C 13 91.936 0.004 . . . . . . . 201 U C1' . 50346 1 176 . 1 . 1 15 15 U C5 C 13 105.062 0.000 . . . . . . . 201 U C5 . 50346 1 177 . 1 . 1 15 15 U C6 C 13 143.445 0.022 . . . . . . . 201 U C6 . 50346 1 178 . 1 . 1 15 15 U N1 N 15 145.080 0.046 . . . . . . . 201 U N1 . 50346 1 179 . 1 . 1 16 16 U H1' H 1 6.034 0.003 . . . . . . . 202 U H1' . 50346 1 180 . 1 . 1 16 16 U H3' H 1 4.303 0.001 . . . . . . . 202 U H3' . 50346 1 181 . 1 . 1 16 16 U H4' H 1 4.384 0.001 . . . . . . . 202 U H4' . 50346 1 182 . 1 . 1 16 16 U H5 H 1 6.033 0.002 . . . . . . . 202 U H5 . 50346 1 183 . 1 . 1 16 16 U H5' H 1 4.157 0.001 . . . . . . . 202 U H5' . 50346 1 184 . 1 . 1 16 16 U H5'' H 1 4.034 0.000 . . . . . . . 202 U H5'' . 50346 1 185 . 1 . 1 16 16 U H6 H 1 7.855 0.003 . . . . . . . 202 U H6 . 50346 1 186 . 1 . 1 16 16 U C1' C 13 89.193 0.026 . . . . . . . 202 U C1' . 50346 1 187 . 1 . 1 16 16 U C2' C 13 74.964 0.000 . . . . . . . 202 U C2' . 50346 1 188 . 1 . 1 16 16 U C3' C 13 77.451 0.024 . . . . . . . 202 U C3' . 50346 1 189 . 1 . 1 16 16 U C4' C 13 86.579 0.048 . . . . . . . 202 U C4' . 50346 1 190 . 1 . 1 16 16 U C5 C 13 105.749 0.000 . . . . . . . 202 U C5 . 50346 1 191 . 1 . 1 16 16 U C5' C 13 67.986 0.009 . . . . . . . 202 U C5' . 50346 1 192 . 1 . 1 16 16 U C6 C 13 144.348 0.006 . . . . . . . 202 U C6 . 50346 1 193 . 1 . 1 16 16 U N1 N 15 143.188 0.000 . . . . . . . 202 U N1 . 50346 1 194 . 1 . 1 17 17 C H1' H 1 5.854 0.003 . . . . . . . 203 C H1' . 50346 1 195 . 1 . 1 17 17 C H2' H 1 4.052 0.001 . . . . . . . 203 C H2' . 50346 1 196 . 1 . 1 17 17 C H3' H 1 4.476 0.000 . . . . . . . 203 C H3' . 50346 1 197 . 1 . 1 17 17 C H4' H 1 3.693 0.000 . . . . . . . 203 C H4' . 50346 1 198 . 1 . 1 17 17 C H5 H 1 5.927 0.006 . . . . . . . 203 C H5 . 50346 1 199 . 1 . 1 17 17 C H5' H 1 3.694 0.000 . . . . . . . 203 C H5' . 50346 1 200 . 1 . 1 17 17 C H5'' H 1 3.221 0.000 . . . . . . . 203 C H5'' . 50346 1 201 . 1 . 1 17 17 C H6 H 1 7.572 0.003 . . . . . . . 203 C H6 . 50346 1 202 . 1 . 1 17 17 C H41 H 1 7.083 0.001 . . . . . . . 203 C H41 . 50346 1 203 . 1 . 1 17 17 C H42 H 1 6.605 0.000 . . . . . . . 203 C H42 . 50346 1 204 . 1 . 1 17 17 C C1' C 13 89.608 0.030 . . . . . . . 203 C C1' . 50346 1 205 . 1 . 1 17 17 C C2' C 13 77.642 0.013 . . . . . . . 203 C C2' . 50346 1 206 . 1 . 1 17 17 C C3' C 13 78.948 0.042 . . . . . . . 203 C C3' . 50346 1 207 . 1 . 1 17 17 C C4' C 13 84.971 0.015 . . . . . . . 203 C C4' . 50346 1 208 . 1 . 1 17 17 C C5 C 13 98.590 0.000 . . . . . . . 203 C C5 . 50346 1 209 . 1 . 1 17 17 C C5' C 13 67.812 0.007 . . . . . . . 203 C C5' . 50346 1 210 . 1 . 1 17 17 C C6 C 13 143.051 0.064 . . . . . . . 203 C C6 . 50346 1 211 . 1 . 1 17 17 C N1 N 15 150.748 0.000 . . . . . . . 203 C N1 . 50346 1 212 . 1 . 1 17 17 C N4 N 15 94.546 0.009 . . . . . . . 203 C N4 . 50346 1 213 . 1 . 1 18 18 G H1' H 1 5.922 0.001 . . . . . . . 204 G H1' . 50346 1 214 . 1 . 1 18 18 G H2' H 1 5.176 0.000 . . . . . . . 204 G H2' . 50346 1 215 . 1 . 1 18 18 G H4' H 1 4.431 0.000 . . . . . . . 204 G H4' . 50346 1 216 . 1 . 1 18 18 G H5' H 1 4.225 0.001 . . . . . . . 204 G H5' . 50346 1 217 . 1 . 1 18 18 G H5'' H 1 4.184 0.001 . . . . . . . 204 G H5'' . 50346 1 218 . 1 . 1 18 18 G H8 H 1 7.878 0.004 . . . . . . . 204 G H8 . 50346 1 219 . 1 . 1 18 18 G C1' C 13 92.384 0.066 . . . . . . . 204 G C1' . 50346 1 220 . 1 . 1 18 18 G C2' C 13 76.853 0.018 . . . . . . . 204 G C2' . 50346 1 221 . 1 . 1 18 18 G C3' C 13 75.251 0.000 . . . . . . . 204 G C3' . 50346 1 222 . 1 . 1 18 18 G C4 C 13 153.927 0.000 . . . . . . . 204 G C4 . 50346 1 223 . 1 . 1 18 18 G C4' C 13 84.824 0.020 . . . . . . . 204 G C4' . 50346 1 224 . 1 . 1 18 18 G C5' C 13 68.769 0.006 . . . . . . . 204 G C5' . 50346 1 225 . 1 . 1 18 18 G C8 C 13 141.906 0.030 . . . . . . . 204 G C8 . 50346 1 226 . 1 . 1 18 18 G N7 N 15 234.250 0.000 . . . . . . . 204 G N7 . 50346 1 227 . 1 . 1 18 18 G N9 N 15 169.551 0.000 . . . . . . . 204 G N9 . 50346 1 228 . 1 . 1 19 19 U H5 H 1 5.973 0.002 . . . . . . . 205 U H5 . 50346 1 229 . 1 . 1 19 19 U H6 H 1 7.895 0.002 . . . . . . . 205 U H6 . 50346 1 230 . 1 . 1 19 19 U C5 C 13 105.440 0.000 . . . . . . . 205 U C5 . 50346 1 231 . 1 . 1 19 19 U C6 C 13 143.930 0.000 . . . . . . . 205 U C6 . 50346 1 232 . 1 . 1 19 19 U N1 N 15 144.461 0.000 . . . . . . . 205 U N1 . 50346 1 233 . 1 . 1 20 20 C H1' H 1 5.278 0.003 . . . . . . . 206 C H1' . 50346 1 234 . 1 . 1 20 20 C H5 H 1 5.746 0.003 . . . . . . . 206 C H5 . 50346 1 235 . 1 . 1 20 20 C H6 H 1 7.798 0.001 . . . . . . . 206 C H6 . 50346 1 236 . 1 . 1 20 20 C H41 H 1 8.558 0.002 . . . . . . . 206 C H41 . 50346 1 237 . 1 . 1 20 20 C H42 H 1 7.183 0.003 . . . . . . . 206 C H42 . 50346 1 238 . 1 . 1 20 20 C C1' C 13 94.085 0.014 . . . . . . . 206 C C1' . 50346 1 239 . 1 . 1 20 20 C C2' C 13 75.379 0.000 . . . . . . . 206 C C2' . 50346 1 240 . 1 . 1 20 20 C C3' C 13 72.302 0.000 . . . . . . . 206 C C3' . 50346 1 241 . 1 . 1 20 20 C C4' C 13 82.231 0.000 . . . . . . . 206 C C4' . 50346 1 242 . 1 . 1 20 20 C C5 C 13 98.095 0.000 . . . . . . . 206 C C5 . 50346 1 243 . 1 . 1 20 20 C C5' C 13 64.847 0.000 . . . . . . . 206 C C5' . 50346 1 244 . 1 . 1 20 20 C C6 C 13 141.686 0.020 . . . . . . . 206 C C6 . 50346 1 245 . 1 . 1 20 20 C N1 N 15 151.886 0.009 . . . . . . . 206 C N1 . 50346 1 246 . 1 . 1 20 20 C N3 N 15 198.146 0.000 . . . . . . . 206 C N3 . 50346 1 247 . 1 . 1 20 20 C N4 N 15 97.994 0.002 . . . . . . . 206 C N4 . 50346 1 248 . 1 . 1 21 21 C H1' H 1 5.548 0.002 . . . . . . . 207 C H1' . 50346 1 249 . 1 . 1 21 21 C H5 H 1 5.610 0.002 . . . . . . . 207 C H5 . 50346 1 250 . 1 . 1 21 21 C H6 H 1 7.798 0.002 . . . . . . . 207 C H6 . 50346 1 251 . 1 . 1 21 21 C H41 H 1 8.401 0.004 . . . . . . . 207 C H41 . 50346 1 252 . 1 . 1 21 21 C H42 H 1 6.846 0.003 . . . . . . . 207 C H42 . 50346 1 253 . 1 . 1 21 21 C C1' C 13 93.863 0.013 . . . . . . . 207 C C1' . 50346 1 254 . 1 . 1 21 21 C C2' C 13 75.328 0.000 . . . . . . . 207 C C2' . 50346 1 255 . 1 . 1 21 21 C C3' C 13 72.249 0.000 . . . . . . . 207 C C3' . 50346 1 256 . 1 . 1 21 21 C C4' C 13 81.793 0.000 . . . . . . . 207 C C4' . 50346 1 257 . 1 . 1 21 21 C C5 C 13 98.197 0.000 . . . . . . . 207 C C5 . 50346 1 258 . 1 . 1 21 21 C C5' C 13 64.745 0.000 . . . . . . . 207 C C5' . 50346 1 259 . 1 . 1 21 21 C C6 C 13 140.977 0.027 . . . . . . . 207 C C6 . 50346 1 260 . 1 . 1 21 21 C N1 N 15 150.744 0.015 . . . . . . . 207 C N1 . 50346 1 261 . 1 . 1 21 21 C N3 N 15 196.224 0.000 . . . . . . . 207 C N3 . 50346 1 262 . 1 . 1 21 21 C N4 N 15 98.024 0.000 . . . . . . . 207 C N4 . 50346 1 263 . 1 . 1 22 22 G H1 H 1 12.815 0.003 . . . . . . . 208 G H1 . 50346 1 264 . 1 . 1 22 22 G H1' H 1 5.707 0.002 . . . . . . . 208 G H1' . 50346 1 265 . 1 . 1 22 22 G H8 H 1 7.508 0.002 . . . . . . . 208 G H8 . 50346 1 266 . 1 . 1 22 22 G C1' C 13 93.170 0.021 . . . . . . . 208 G C1' . 50346 1 267 . 1 . 1 22 22 G C2' C 13 75.277 0.000 . . . . . . . 208 G C2' . 50346 1 268 . 1 . 1 22 22 G C3' C 13 72.838 0.000 . . . . . . . 208 G C3' . 50346 1 269 . 1 . 1 22 22 G C4' C 13 82.101 0.000 . . . . . . . 208 G C4' . 50346 1 270 . 1 . 1 22 22 G C5' C 13 65.797 0.000 . . . . . . . 208 G C5' . 50346 1 271 . 1 . 1 22 22 G C8 C 13 136.263 0.039 . . . . . . . 208 G C8 . 50346 1 272 . 1 . 1 22 22 G N1 N 15 147.447 0.000 . . . . . . . 208 G N1 . 50346 1 273 . 1 . 1 22 22 G N7 N 15 235.844 0.000 . . . . . . . 208 G N7 . 50346 1 274 . 1 . 1 22 22 G N9 N 15 169.124 0.000 . . . . . . . 208 G N9 . 50346 1 275 . 1 . 1 23 23 U H1' H 1 5.586 0.002 . . . . . . . 209 U H1' . 50346 1 276 . 1 . 1 23 23 U H3 H 1 13.715 0.004 . . . . . . . 209 U H3 . 50346 1 277 . 1 . 1 23 23 U H5 H 1 5.069 0.004 . . . . . . . 209 U H5 . 50346 1 278 . 1 . 1 23 23 U H6 H 1 7.572 0.002 . . . . . . . 209 U H6 . 50346 1 279 . 1 . 1 23 23 U C1' C 13 93.054 0.041 . . . . . . . 209 U C1' . 50346 1 280 . 1 . 1 23 23 U C2' C 13 75.595 0.000 . . . . . . . 209 U C2' . 50346 1 281 . 1 . 1 23 23 U C3' C 13 72.919 0.000 . . . . . . . 209 U C3' . 50346 1 282 . 1 . 1 23 23 U C4' C 13 82.450 0.000 . . . . . . . 209 U C4' . 50346 1 283 . 1 . 1 23 23 U C5 C 13 103.198 0.000 . . . . . . . 209 U C5 . 50346 1 284 . 1 . 1 23 23 U C5' C 13 64.891 0.000 . . . . . . . 209 U C5' . 50346 1 285 . 1 . 1 23 23 U C6 C 13 141.013 0.017 . . . . . . . 209 U C6 . 50346 1 286 . 1 . 1 23 23 U N1 N 15 145.563 0.029 . . . . . . . 209 U N1 . 50346 1 287 . 1 . 1 23 23 U N3 N 15 161.691 0.000 . . . . . . . 209 U N3 . 50346 1 288 . 1 . 1 24 24 G H1' H 1 5.654 0.004 . . . . . . . 210 G H1' . 50346 1 289 . 1 . 1 24 24 G H4' H 1 4.465 0.001 . . . . . . . 210 G H4' . 50346 1 290 . 1 . 1 24 24 G H8 H 1 7.697 0.004 . . . . . . . 210 G H8 . 50346 1 291 . 1 . 1 24 24 G C1' C 13 91.929 0.042 . . . . . . . 210 G C1' . 50346 1 292 . 1 . 1 24 24 G C2' C 13 75.601 0.000 . . . . . . . 210 G C2' . 50346 1 293 . 1 . 1 24 24 G C3' C 13 74.851 0.000 . . . . . . . 210 G C3' . 50346 1 294 . 1 . 1 24 24 G C4 C 13 152.994 0.000 . . . . . . . 210 G C4 . 50346 1 295 . 1 . 1 24 24 G C4' C 13 83.640 0.054 . . . . . . . 210 G C4' . 50346 1 296 . 1 . 1 24 24 G C5 C 13 119.002 0.000 . . . . . . . 210 G C5 . 50346 1 297 . 1 . 1 24 24 G C5' C 13 66.771 0.000 . . . . . . . 210 G C5' . 50346 1 298 . 1 . 1 24 24 G C6 C 13 160.715 0.000 . . . . . . . 210 G C6 . 50346 1 299 . 1 . 1 24 24 G C8 C 13 137.708 0.050 . . . . . . . 210 G C8 . 50346 1 300 . 1 . 1 24 24 G N7 N 15 237.155 0.000 . . . . . . . 210 G N7 . 50346 1 301 . 1 . 1 24 24 G N9 N 15 168.880 0.036 . . . . . . . 210 G N9 . 50346 1 302 . 1 . 1 25 25 U H1' H 1 5.647 0.004 . . . . . . . 211 U H1' . 50346 1 303 . 1 . 1 25 25 U H4' H 1 4.424 0.001 . . . . . . . 211 U H4' . 50346 1 304 . 1 . 1 25 25 U H5 H 1 5.392 0.005 . . . . . . . 211 U H5 . 50346 1 305 . 1 . 1 25 25 U H5' H 1 4.327 0.000 . . . . . . . 211 U H5' . 50346 1 306 . 1 . 1 25 25 U H5'' H 1 4.077 0.000 . . . . . . . 211 U H5'' . 50346 1 307 . 1 . 1 25 25 U H6 H 1 7.621 0.002 . . . . . . . 211 U H6 . 50346 1 308 . 1 . 1 25 25 U C1' C 13 91.782 0.049 . . . . . . . 211 U C1' . 50346 1 309 . 1 . 1 25 25 U C2' C 13 75.588 0.000 . . . . . . . 211 U C2' . 50346 1 310 . 1 . 1 25 25 U C4' C 13 84.438 0.036 . . . . . . . 211 U C4' . 50346 1 311 . 1 . 1 25 25 U C5 C 13 104.260 0.000 . . . . . . . 211 U C5 . 50346 1 312 . 1 . 1 25 25 U C5' C 13 66.596 0.000 . . . . . . . 211 U C5' . 50346 1 313 . 1 . 1 25 25 U C6 C 13 142.664 0.015 . . . . . . . 211 U C6 . 50346 1 314 . 1 . 1 25 25 U N1 N 15 144.560 0.012 . . . . . . . 211 U N1 . 50346 1 315 . 1 . 1 26 26 U H1' H 1 5.575 0.001 . . . . . . . 212 U H1' . 50346 1 316 . 1 . 1 26 26 U H5 H 1 5.730 0.000 . . . . . . . 212 U H5 . 50346 1 317 . 1 . 1 26 26 U H6 H 1 7.888 0.001 . . . . . . . 212 U H6 . 50346 1 318 . 1 . 1 26 26 U C1' C 13 93.669 0.006 . . . . . . . 212 U C1' . 50346 1 319 . 1 . 1 26 26 U C5 C 13 104.372 0.000 . . . . . . . 212 U C5 . 50346 1 320 . 1 . 1 26 26 U C6 C 13 143.194 0.001 . . . . . . . 212 U C6 . 50346 1 321 . 1 . 1 26 26 U N1 N 15 146.781 0.000 . . . . . . . 212 U N1 . 50346 1 322 . 1 . 1 27 27 G H1 H 1 13.161 0.003 . . . . . . . 213 G H1 . 50346 1 323 . 1 . 1 27 27 G H1' H 1 5.766 0.004 . . . . . . . 213 G H1' . 50346 1 324 . 1 . 1 27 27 G H8 H 1 7.853 0.006 . . . . . . . 213 G H8 . 50346 1 325 . 1 . 1 27 27 G C1' C 13 91.711 0.025 . . . . . . . 213 G C1' . 50346 1 326 . 1 . 1 27 27 G C2' C 13 75.118 0.000 . . . . . . . 213 G C2' . 50346 1 327 . 1 . 1 27 27 G C3' C 13 73.992 0.000 . . . . . . . 213 G C3' . 50346 1 328 . 1 . 1 27 27 G C4 C 13 152.839 0.000 . . . . . . . 213 G C4 . 50346 1 329 . 1 . 1 27 27 G C5 C 13 118.695 0.000 . . . . . . . 213 G C5 . 50346 1 330 . 1 . 1 27 27 G C6 C 13 161.886 0.000 . . . . . . . 213 G C6 . 50346 1 331 . 1 . 1 27 27 G C8 C 13 137.002 0.037 . . . . . . . 213 G C8 . 50346 1 332 . 1 . 1 27 27 G N1 N 15 148.625 0.000 . . . . . . . 213 G N1 . 50346 1 333 . 1 . 1 27 27 G N7 N 15 235.616 0.000 . . . . . . . 213 G N7 . 50346 1 334 . 1 . 1 27 27 G N9 N 15 169.217 0.067 . . . . . . . 213 G N9 . 50346 1 335 . 1 . 1 28 28 C H1' H 1 5.555 0.003 . . . . . . . 214 C H1' . 50346 1 336 . 1 . 1 28 28 C H5 H 1 5.319 0.003 . . . . . . . 214 C H5 . 50346 1 337 . 1 . 1 28 28 C H6 H 1 7.602 0.005 . . . . . . . 214 C H6 . 50346 1 338 . 1 . 1 28 28 C H41 H 1 8.569 0.003 . . . . . . . 214 C H41 . 50346 1 339 . 1 . 1 28 28 C H42 H 1 6.859 0.002 . . . . . . . 214 C H42 . 50346 1 340 . 1 . 1 28 28 C C1' C 13 94.239 0.029 . . . . . . . 214 C C1' . 50346 1 341 . 1 . 1 28 28 C C2' C 13 75.269 0.000 . . . . . . . 214 C C2' . 50346 1 342 . 1 . 1 28 28 C C3' C 13 72.540 0.000 . . . . . . . 214 C C3' . 50346 1 343 . 1 . 1 28 28 C C4' C 13 82.056 0.000 . . . . . . . 214 C C4' . 50346 1 344 . 1 . 1 28 28 C C5 C 13 97.718 0.000 . . . . . . . 214 C C5 . 50346 1 345 . 1 . 1 28 28 C C5' C 13 65.794 0.000 . . . . . . . 214 C C5' . 50346 1 346 . 1 . 1 28 28 C C6 C 13 141.298 0.016 . . . . . . . 214 C C6 . 50346 1 347 . 1 . 1 28 28 C N1 N 15 150.751 0.000 . . . . . . . 214 C N1 . 50346 1 348 . 1 . 1 28 28 C N3 N 15 197.339 0.000 . . . . . . . 214 C N3 . 50346 1 349 . 1 . 1 28 28 C N4 N 15 97.480 0.006 . . . . . . . 214 C N4 . 50346 1 350 . 1 . 1 29 29 A H1' H 1 5.956 0.004 . . . . . . . 215 A H1' . 50346 1 351 . 1 . 1 29 29 A H2 H 1 7.007 0.003 . . . . . . . 215 A H2 . 50346 1 352 . 1 . 1 29 29 A H8 H 1 8.047 0.005 . . . . . . . 215 A H8 . 50346 1 353 . 1 . 1 29 29 A C1' C 13 92.956 0.025 . . . . . . . 215 A C1' . 50346 1 354 . 1 . 1 29 29 A C2 C 13 152.408 0.012 . . . . . . . 215 A C2 . 50346 1 355 . 1 . 1 29 29 A C2' C 13 75.588 0.000 . . . . . . . 215 A C2' . 50346 1 356 . 1 . 1 29 29 A C3' C 13 72.853 0.000 . . . . . . . 215 A C3' . 50346 1 357 . 1 . 1 29 29 A C4 C 13 148.992 0.003 . . . . . . . 215 A C4 . 50346 1 358 . 1 . 1 29 29 A C4' C 13 81.925 0.000 . . . . . . . 215 A C4' . 50346 1 359 . 1 . 1 29 29 A C5 C 13 121.366 0.015 . . . . . . . 215 A C5 . 50346 1 360 . 1 . 1 29 29 A C5' C 13 65.430 0.000 . . . . . . . 215 A C5' . 50346 1 361 . 1 . 1 29 29 A C6 C 13 158.043 0.012 . . . . . . . 215 A C6 . 50346 1 362 . 1 . 1 29 29 A C8 C 13 139.572 0.028 . . . . . . . 215 A C8 . 50346 1 363 . 1 . 1 29 29 A N1 N 15 220.929 0.003 . . . . . . . 215 A N1 . 50346 1 364 . 1 . 1 29 29 A N3 N 15 213.413 0.000 . . . . . . . 215 A N3 . 50346 1 365 . 1 . 1 29 29 A N7 N 15 230.803 0.000 . . . . . . . 215 A N7 . 50346 1 366 . 1 . 1 29 29 A N9 N 15 170.613 0.054 . . . . . . . 215 A N9 . 50346 1 367 . 1 . 1 30 30 G H1 H 1 13.420 0.003 . . . . . . . 216 G H1 . 50346 1 368 . 1 . 1 30 30 G H1' H 1 5.644 0.003 . . . . . . . 216 G H1' . 50346 1 369 . 1 . 1 30 30 G H8 H 1 7.322 0.004 . . . . . . . 216 G H8 . 50346 1 370 . 1 . 1 30 30 G C1' C 13 92.631 0.026 . . . . . . . 216 G C1' . 50346 1 371 . 1 . 1 30 30 G C2' C 13 75.374 0.000 . . . . . . . 216 G C2' . 50346 1 372 . 1 . 1 30 30 G C3' C 13 72.650 0.000 . . . . . . . 216 G C3' . 50346 1 373 . 1 . 1 30 30 G C4 C 13 151.548 0.000 . . . . . . . 216 G C4 . 50346 1 374 . 1 . 1 30 30 G C4' C 13 81.896 0.000 . . . . . . . 216 G C4' . 50346 1 375 . 1 . 1 30 30 G C5 C 13 118.916 0.000 . . . . . . . 216 G C5 . 50346 1 376 . 1 . 1 30 30 G C5' C 13 65.503 0.000 . . . . . . . 216 G C5' . 50346 1 377 . 1 . 1 30 30 G C6 C 13 161.576 0.000 . . . . . . . 216 G C6 . 50346 1 378 . 1 . 1 30 30 G C8 C 13 135.778 0.038 . . . . . . . 216 G C8 . 50346 1 379 . 1 . 1 30 30 G N1 N 15 148.606 0.000 . . . . . . . 216 G N1 . 50346 1 380 . 1 . 1 30 30 G N7 N 15 234.321 0.000 . . . . . . . 216 G N7 . 50346 1 381 . 1 . 1 30 30 G N9 N 15 169.353 0.047 . . . . . . . 216 G N9 . 50346 1 382 . 1 . 1 31 31 C H1' H 1 5.505 0.002 . . . . . . . 217 C H1' . 50346 1 383 . 1 . 1 31 31 C H5 H 1 5.197 0.001 . . . . . . . 217 C H5 . 50346 1 384 . 1 . 1 31 31 C H6 H 1 7.628 0.004 . . . . . . . 217 C H6 . 50346 1 385 . 1 . 1 31 31 C H41 H 1 8.603 0.005 . . . . . . . 217 C H41 . 50346 1 386 . 1 . 1 31 31 C H42 H 1 6.866 0.004 . . . . . . . 217 C H42 . 50346 1 387 . 1 . 1 31 31 C C1' C 13 93.963 0.021 . . . . . . . 217 C C1' . 50346 1 388 . 1 . 1 31 31 C C2' C 13 75.505 0.000 . . . . . . . 217 C C2' . 50346 1 389 . 1 . 1 31 31 C C3' C 13 72.003 0.000 . . . . . . . 217 C C3' . 50346 1 390 . 1 . 1 31 31 C C4' C 13 81.793 0.000 . . . . . . . 217 C C4' . 50346 1 391 . 1 . 1 31 31 C C5' C 13 64.454 0.000 . . . . . . . 217 C C5' . 50346 1 392 . 1 . 1 31 31 C C6 C 13 140.901 0.020 . . . . . . . 217 C C6 . 50346 1 393 . 1 . 1 31 31 C N1 N 15 151.150 0.017 . . . . . . . 217 C N1 . 50346 1 394 . 1 . 1 31 31 C N3 N 15 198.147 0.000 . . . . . . . 217 C N3 . 50346 1 395 . 1 . 1 31 31 C N4 N 15 99.095 0.001 . . . . . . . 217 C N4 . 50346 1 396 . 1 . 1 32 32 C H1' H 1 5.531 0.002 . . . . . . . 218 C H1' . 50346 1 397 . 1 . 1 32 32 C H5 H 1 5.500 0.003 . . . . . . . 218 C H5 . 50346 1 398 . 1 . 1 32 32 C H6 H 1 7.767 0.004 . . . . . . . 218 C H6 . 50346 1 399 . 1 . 1 32 32 C H41 H 1 8.527 0.004 . . . . . . . 218 C H41 . 50346 1 400 . 1 . 1 32 32 C H42 H 1 6.888 0.002 . . . . . . . 218 C H42 . 50346 1 401 . 1 . 1 32 32 C C1' C 13 94.718 0.021 . . . . . . . 218 C C1' . 50346 1 402 . 1 . 1 32 32 C C2' C 13 75.616 0.000 . . . . . . . 218 C C2' . 50346 1 403 . 1 . 1 32 32 C C3' C 13 72.081 0.000 . . . . . . . 218 C C3' . 50346 1 404 . 1 . 1 32 32 C C4' C 13 82.027 0.000 . . . . . . . 218 C C4' . 50346 1 405 . 1 . 1 32 32 C C5 C 13 97.823 0.000 . . . . . . . 218 C C5 . 50346 1 406 . 1 . 1 32 32 C C5' C 13 64.483 0.000 . . . . . . . 218 C C5' . 50346 1 407 . 1 . 1 32 32 C C6 C 13 141.463 0.022 . . . . . . . 218 C C6 . 50346 1 408 . 1 . 1 32 32 C N1 N 15 151.411 0.024 . . . . . . . 218 C N1 . 50346 1 409 . 1 . 1 32 32 C N3 N 15 197.894 0.000 . . . . . . . 218 C N3 . 50346 1 410 . 1 . 1 32 32 C N4 N 15 98.337 0.001 . . . . . . . 218 C N4 . 50346 1 411 . 1 . 1 33 33 C H1' H 1 6.115 0.004 . . . . . . . 1 C H1' . 50346 1 412 . 1 . 1 33 33 C H2' H 1 4.643 0.000 . . . . . . . 1 C H2' . 50346 1 413 . 1 . 1 33 33 C H3' H 1 4.964 0.002 . . . . . . . 1 C H3' . 50346 1 414 . 1 . 1 33 33 C H4' H 1 4.432 0.000 . . . . . . . 1 C H4' . 50346 1 415 . 1 . 1 33 33 C H5 H 1 5.546 0.004 . . . . . . . 1 C H5 . 50346 1 416 . 1 . 1 33 33 C H6 H 1 7.513 0.004 . . . . . . . 1 C H6 . 50346 1 417 . 1 . 1 33 33 C H41 H 1 8.439 0.002 . . . . . . . 1 C H41 . 50346 1 418 . 1 . 1 33 33 C H42 H 1 7.093 0.002 . . . . . . . 1 C H42 . 50346 1 419 . 1 . 1 33 33 C C1' C 13 92.019 0.070 . . . . . . . 1 C C1' . 50346 1 420 . 1 . 1 33 33 C C2' C 13 85.201 0.000 . . . . . . . 1 C C2' . 50346 1 421 . 1 . 1 33 33 C C3' C 13 77.891 0.068 . . . . . . . 1 C C3' . 50346 1 422 . 1 . 1 33 33 C C4' C 13 85.602 0.054 . . . . . . . 1 C C4' . 50346 1 423 . 1 . 1 33 33 C C5 C 13 99.184 0.000 . . . . . . . 1 C C5 . 50346 1 424 . 1 . 1 33 33 C C5' C 13 65.780 0.000 . . . . . . . 1 C C5' . 50346 1 425 . 1 . 1 33 33 C C6 C 13 141.779 0.020 . . . . . . . 1 C C6 . 50346 1 426 . 1 . 1 33 33 C N1 N 15 150.370 0.024 . . . . . . . 1 C N1 . 50346 1 427 . 1 . 1 33 33 C N4 N 15 98.923 0.002 . . . . . . . 1 C N4 . 50346 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 50346 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'Chemical shift list' _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 12 NOESY-JR[15N]-Amino . . . 50346 2 13 HSQC[15N] . . . 50346 2 14 HSQC[15N]-2J . . . 50346 2 15 HSQC[15N]-2J . . . 50346 2 16 TROSY[15N] . . . 50346 2 17 HNN-COSY[15N] . . . 50346 2 18 HSQC[15N]-Amino . . . 50346 2 19 TOCSY . . . 50346 2 20 HNN-COSY[15N] . . . 50346 2 21 '2D HSQC HC' . . . 50346 2 22 NOESY[15N]-Imino . . . 50346 2 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 2 $software_2 . . 50346 2 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 12.820 0.009 . . . . . . . -1 G H1 . 50346 2 2 . 1 . 1 1 1 G C6 C 13 162.409 0.000 . . . . . . . -1 G C6 . 50346 2 3 . 1 . 1 1 1 G N1 N 15 147.345 0.000 . . . . . . . -1 G N1 . 50346 2 4 . 1 . 1 2 2 G H1 H 1 12.902 0.003 . . . . . . . 188 G H1 . 50346 2 5 . 1 . 1 2 2 G H8 H 1 7.563 0.000 . . . . . . . 188 G H8 . 50346 2 6 . 1 . 1 2 2 G C2 C 13 156.437 0.000 . . . . . . . 188 G C2 . 50346 2 7 . 1 . 1 2 2 G C6 C 13 161.638 0.000 . . . . . . . 188 G C6 . 50346 2 8 . 1 . 1 2 2 G C8 C 13 136.667 0.000 . . . . . . . 188 G C8 . 50346 2 9 . 1 . 1 2 2 G N1 N 15 147.799 0.005 . . . . . . . 188 G N1 . 50346 2 10 . 1 . 1 3 3 G H1 H 1 13.304 0.003 . . . . . . . 189 G H1 . 50346 2 11 . 1 . 1 3 3 G H8 H 1 7.270 0.000 . . . . . . . 189 G H8 . 50346 2 12 . 1 . 1 3 3 G C2 C 13 156.950 0.000 . . . . . . . 189 G C2 . 50346 2 13 . 1 . 1 3 3 G C6 C 13 161.723 0.000 . . . . . . . 189 G C6 . 50346 2 14 . 1 . 1 3 3 G C8 C 13 135.866 0.004 . . . . . . . 189 G C8 . 50346 2 15 . 1 . 1 3 3 G N1 N 15 148.927 0.001 . . . . . . . 189 G N1 . 50346 2 16 . 1 . 1 4 4 C H6 H 1 7.607 0.000 . . . . . . . 190 C H6 . 50346 2 17 . 1 . 1 4 4 C C6 C 13 140.938 0.000 . . . . . . . 190 C C6 . 50346 2 18 . 1 . 1 4 4 C N3 N 15 197.435 0.000 . . . . . . . 190 C N3 . 50346 2 19 . 1 . 1 5 5 U H3 H 1 13.577 0.001 . . . . . . . 191 U H3 . 50346 2 20 . 1 . 1 5 5 U C2 C 13 152.702 0.000 . . . . . . . 191 U C2 . 50346 2 21 . 1 . 1 5 5 U C4 C 13 169.608 0.000 . . . . . . . 191 U C4 . 50346 2 22 . 1 . 1 5 5 U C6 C 13 141.540 0.000 . . . . . . . 191 U C6 . 50346 2 23 . 1 . 1 5 5 U N3 N 15 162.208 0.008 . . . . . . . 191 U N3 . 50346 2 24 . 1 . 1 6 6 G H1 H 1 12.539 0.002 . . . . . . . 192 G H1 . 50346 2 25 . 1 . 1 6 6 G H8 H 1 7.797 0.000 . . . . . . . 192 G H8 . 50346 2 26 . 1 . 1 6 6 G C2 C 13 156.529 0.000 . . . . . . . 192 G C2 . 50346 2 27 . 1 . 1 6 6 G C6 C 13 161.324 0.000 . . . . . . . 192 G C6 . 50346 2 28 . 1 . 1 6 6 G C8 C 13 136.334 0.008 . . . . . . . 192 G C8 . 50346 2 29 . 1 . 1 6 6 G N1 N 15 147.522 0.004 . . . . . . . 192 G N1 . 50346 2 30 . 1 . 1 7 7 C H6 H 1 7.460 0.000 . . . . . . . 193 C H6 . 50346 2 31 . 1 . 1 7 7 C H41 H 1 8.247 0.000 . . . . . . . 193 C H41 . 50346 2 32 . 1 . 1 7 7 C H42 H 1 7.010 0.000 . . . . . . . 193 C H42 . 50346 2 33 . 1 . 1 7 7 C C6 C 13 140.406 0.000 . . . . . . . 193 C C6 . 50346 2 34 . 1 . 1 7 7 C N3 N 15 196.178 0.000 . . . . . . . 193 C N3 . 50346 2 35 . 1 . 1 8 8 U H3 H 1 11.341 0.001 . . . . . . . 194 U H3 . 50346 2 36 . 1 . 1 8 8 U H6 H 1 7.750 0.000 . . . . . . . 194 U H6 . 50346 2 37 . 1 . 1 8 8 U C2 C 13 154.323 0.000 . . . . . . . 194 U C2 . 50346 2 38 . 1 . 1 8 8 U C4 C 13 167.143 0.000 . . . . . . . 194 U C4 . 50346 2 39 . 1 . 1 8 8 U C6 C 13 140.946 0.012 . . . . . . . 194 U C6 . 50346 2 40 . 1 . 1 9 9 U H6 H 1 7.810 0.000 . . . . . . . 195 U H6 . 50346 2 41 . 1 . 1 9 9 U C6 C 13 142.611 0.000 . . . . . . . 195 U C6 . 50346 2 42 . 1 . 1 10 10 A H2 H 1 7.658 0.000 . . . . . . . 196 A H2 . 50346 2 43 . 1 . 1 10 10 A H8 H 1 8.388 0.000 . . . . . . . 196 A H8 . 50346 2 44 . 1 . 1 10 10 A C8 C 13 140.973 0.000 . . . . . . . 196 A C8 . 50346 2 45 . 1 . 1 10 10 A N1 N 15 222.709 0.000 . . . . . . . 196 A N1 . 50346 2 46 . 1 . 1 11 11 C H6 H 1 7.533 0.000 . . . . . . . 197 C H6 . 50346 2 47 . 1 . 1 11 11 C C6 C 13 140.683 0.000 . . . . . . . 197 C C6 . 50346 2 48 . 1 . 1 11 11 C N3 N 15 196.996 0.000 . . . . . . . 197 C N3 . 50346 2 49 . 1 . 1 12 12 G H1 H 1 12.586 0.004 . . . . . . . 198 G H1 . 50346 2 50 . 1 . 1 12 12 G C2 C 13 155.760 0.000 . . . . . . . 198 G C2 . 50346 2 51 . 1 . 1 12 12 G C6 C 13 161.305 0.000 . . . . . . . 198 G C6 . 50346 2 52 . 1 . 1 12 12 G C8 C 13 136.085 0.000 . . . . . . . 198 G C8 . 50346 2 53 . 1 . 1 12 12 G N1 N 15 146.906 0.007 . . . . . . . 198 G N1 . 50346 2 54 . 1 . 1 13 13 G H1 H 1 13.423 0.001 . . . . . . . 199 G H1 . 50346 2 55 . 1 . 1 13 13 G H8 H 1 7.235 0.000 . . . . . . . 199 G H8 . 50346 2 56 . 1 . 1 13 13 G C2 C 13 156.899 0.000 . . . . . . . 199 G C2 . 50346 2 57 . 1 . 1 13 13 G C6 C 13 161.963 0.000 . . . . . . . 199 G C6 . 50346 2 58 . 1 . 1 13 13 G C8 C 13 136.197 0.011 . . . . . . . 199 G C8 . 50346 2 59 . 1 . 1 13 13 G N1 N 15 148.674 0.001 . . . . . . . 199 G N1 . 50346 2 60 . 1 . 1 15 15 U H6 H 1 7.941 0.000 . . . . . . . 201 U H6 . 50346 2 61 . 1 . 1 15 15 U C6 C 13 143.301 0.000 . . . . . . . 201 U C6 . 50346 2 62 . 1 . 1 16 16 U H6 H 1 7.869 0.000 . . . . . . . 202 U H6 . 50346 2 63 . 1 . 1 16 16 U C6 C 13 144.349 0.000 . . . . . . . 202 U C6 . 50346 2 64 . 1 . 1 17 17 C H6 H 1 7.593 0.000 . . . . . . . 203 C H6 . 50346 2 65 . 1 . 1 17 17 C C6 C 13 143.024 0.000 . . . . . . . 203 C C6 . 50346 2 66 . 1 . 1 18 18 G H8 H 1 7.883 0.000 . . . . . . . 204 G H8 . 50346 2 67 . 1 . 1 18 18 G C8 C 13 142.088 0.000 . . . . . . . 204 G C8 . 50346 2 68 . 1 . 1 20 20 C N3 N 15 197.771 0.000 . . . . . . . 206 C N3 . 50346 2 69 . 1 . 1 21 21 C H6 H 1 7.807 0.000 . . . . . . . 207 C H6 . 50346 2 70 . 1 . 1 21 21 C C6 C 13 140.923 0.000 . . . . . . . 207 C C6 . 50346 2 71 . 1 . 1 21 21 C N3 N 15 195.928 0.000 . . . . . . . 207 C N3 . 50346 2 72 . 1 . 1 22 22 G H1 H 1 12.849 0.006 . . . . . . . 208 G H1 . 50346 2 73 . 1 . 1 22 22 G C2 C 13 156.366 0.000 . . . . . . . 208 G C2 . 50346 2 74 . 1 . 1 22 22 G C6 C 13 161.434 0.000 . . . . . . . 208 G C6 . 50346 2 75 . 1 . 1 22 22 G C8 C 13 136.184 0.000 . . . . . . . 208 G C8 . 50346 2 76 . 1 . 1 22 22 G N1 N 15 147.320 0.000 . . . . . . . 208 G N1 . 50346 2 77 . 1 . 1 23 23 U H3 H 1 13.783 0.003 . . . . . . . 209 U H3 . 50346 2 78 . 1 . 1 23 23 U H6 H 1 7.588 0.000 . . . . . . . 209 U H6 . 50346 2 79 . 1 . 1 23 23 U C2 C 13 152.770 0.000 . . . . . . . 209 U C2 . 50346 2 80 . 1 . 1 23 23 U C4 C 13 168.719 0.000 . . . . . . . 209 U C4 . 50346 2 81 . 1 . 1 23 23 U C6 C 13 140.991 0.012 . . . . . . . 209 U C6 . 50346 2 82 . 1 . 1 23 23 U N3 N 15 161.618 0.014 . . . . . . . 209 U N3 . 50346 2 83 . 1 . 1 24 24 G H8 H 1 7.738 0.000 . . . . . . . 210 G H8 . 50346 2 84 . 1 . 1 24 24 G C8 C 13 137.711 0.000 . . . . . . . 210 G C8 . 50346 2 85 . 1 . 1 25 25 U H6 H 1 7.645 0.000 . . . . . . . 211 U H6 . 50346 2 86 . 1 . 1 25 25 U C6 C 13 142.719 0.000 . . . . . . . 211 U C6 . 50346 2 87 . 1 . 1 26 26 U H6 H 1 7.908 0.000 . . . . . . . 212 U H6 . 50346 2 88 . 1 . 1 26 26 U C6 C 13 143.162 0.000 . . . . . . . 212 U C6 . 50346 2 89 . 1 . 1 27 27 G H1 H 1 13.187 0.007 . . . . . . . 213 G H1 . 50346 2 90 . 1 . 1 27 27 G H8 H 1 7.849 0.000 . . . . . . . 213 G H8 . 50346 2 91 . 1 . 1 27 27 G C2 C 13 157.184 0.000 . . . . . . . 213 G C2 . 50346 2 92 . 1 . 1 27 27 G C6 C 13 161.902 0.000 . . . . . . . 213 G C6 . 50346 2 93 . 1 . 1 27 27 G C8 C 13 136.805 0.000 . . . . . . . 213 G C8 . 50346 2 94 . 1 . 1 27 27 G N1 N 15 148.558 0.002 . . . . . . . 213 G N1 . 50346 2 95 . 1 . 1 28 28 C H6 H 1 7.613 0.000 . . . . . . . 214 C H6 . 50346 2 96 . 1 . 1 28 28 C C6 C 13 141.267 0.000 . . . . . . . 214 C C6 . 50346 2 97 . 1 . 1 28 28 C N3 N 15 197.022 0.000 . . . . . . . 214 C N3 . 50346 2 98 . 1 . 1 29 29 A H8 H 1 8.062 0.000 . . . . . . . 215 A H8 . 50346 2 99 . 1 . 1 29 29 A C8 C 13 139.470 0.000 . . . . . . . 215 A C8 . 50346 2 100 . 1 . 1 29 29 A N1 N 15 220.603 0.000 . . . . . . . 215 A N1 . 50346 2 101 . 1 . 1 30 30 G H1 H 1 13.470 0.002 . . . . . . . 216 G H1 . 50346 2 102 . 1 . 1 30 30 G H8 H 1 7.356 0.000 . . . . . . . 216 G H8 . 50346 2 103 . 1 . 1 30 30 G C2 C 13 157.059 0.000 . . . . . . . 216 G C2 . 50346 2 104 . 1 . 1 30 30 G C6 C 13 161.503 0.000 . . . . . . . 216 G C6 . 50346 2 105 . 1 . 1 30 30 G C8 C 13 135.700 0.005 . . . . . . . 216 G C8 . 50346 2 106 . 1 . 1 30 30 G N1 N 15 148.466 0.010 . . . . . . . 216 G N1 . 50346 2 107 . 1 . 1 31 31 C H6 H 1 7.643 0.000 . . . . . . . 217 C H6 . 50346 2 108 . 1 . 1 31 31 C C6 C 13 140.792 0.000 . . . . . . . 217 C C6 . 50346 2 109 . 1 . 1 31 31 C N3 N 15 197.822 0.000 . . . . . . . 217 C N3 . 50346 2 110 . 1 . 1 32 32 C H6 H 1 7.775 0.000 . . . . . . . 218 C H6 . 50346 2 111 . 1 . 1 32 32 C C6 C 13 141.408 0.000 . . . . . . . 218 C C6 . 50346 2 112 . 1 . 1 32 32 C N3 N 15 197.630 0.000 . . . . . . . 218 C N3 . 50346 2 113 . 1 . 1 33 33 C N3 N 15 196.698 0.000 . . . . . . . 1 C N3 . 50346 2 stop_ save_