data_50760 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50760 _Entry.Title ; 1H, 13C,15N and 31P chemical shift assignment of the stem-loop 4 from the 5'-UTR of SARS-CoV-2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-02-10 _Entry.Accession_date 2021-02-10 _Entry.Last_release_date 2021-02-10 _Entry.Original_release_date 2021-02-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Jennifer Vogele . . . . 50760 2 Jan-Peter Ferner . . . . 50760 3 Nadide Altincekic . . . . 50760 4 Jasleen 'Kaur Bains' . . . . 50760 5 Betul Ceylan . . . . 50760 6 Boris Furtig . . . . 50760 7 'J Tassilo' Grun . . . . 50760 8 Martin Hengesbach . . . . 50760 9 Katharina Hohmann . F. . . 50760 10 Daniel Hymon . . . . 50760 11 Bozana Knezic . . . . 50760 12 Stephen Peter . A. . . 50760 13 Dennis Pyper . . . . 50760 14 Nusrat Qureshi . S. . . 50760 15 Christian Richter . . . . 50760 16 Andreas Schlundt . . . . 50760 17 Robbin Schnieders . . . . 50760 18 Harald Schwalbe . . . . 50760 19 Elke Stirnal . . . . 50760 20 Alexey Sudakov . . . . 50760 21 Anna Wacker . . . . 50760 22 Julia Weigand . E. . . 50760 23 Julia Wirmer-Baroschek . . . . 50760 24 Jens Wohnert . . . . 50760 25 Elke Duchardt-Ferner . . . . 50760 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 50760 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 204 50760 '15N chemical shifts' 69 50760 '1H chemical shifts' 228 50760 '31P chemical shifts' 24 50760 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 2 . . 2021-11-19 2021-02-10 update BMRB 'update entry citation' 50760 1 . . 2021-05-18 2021-02-10 original author 'original release' 50760 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' 50760 BMRB 50340 'chemical shifts of the 5_SL5stem' 50760 BMRB 50341 'chemical shifts of the 3_s2m' 50760 BMRB 50342 'chemical shifts of the 3_SL1' 50760 BMRB 50343 'chemical shifts of the 2_SL3' 50760 BMRB 50344 'chemical shifts of the 5_SL2+3' 50760 BMRB 50346 'chemical shifts of the 5_SL5a' 50760 BMRB 50347 'chemical shifts of the 5_SL4' 50760 BMRB 50348 'chemical shifts of the PK (Pseudoknot)' 50760 BMRB 50349 'chemical shifts of the 5_SL1' 50760 BMRB 50350 'chemical shifts of the 3_SL3base' 50760 BMRB 50351 'chemical shifts of the 5_SL6' 50760 BMRB 50352 'chemical shifts of the 5_SL8' 50760 NCBI NC_045512.2 'Severe acute respiratory syndrome coronavirus 2 isolate Wuhan-Hu-1, complete genome.' 50760 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50760 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33928512 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, 15N and 31P chemical shift assignment for stem-loop 4 from the 5'-UTR of SARS-CoV-2 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomolecular NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 15 _Citation.Journal_issue 2 _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 335 _Citation.Page_last 340 _Citation.Year 2021 _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 Jennifer Vogele . . . . 50760 1 2 Jan-Peter Ferner . . . . 50760 1 3 Nadide Altincekic . . . . 50760 1 4 Jasleen 'Kaur Bains' . . . . 50760 1 5 Betul Ceylan . . . . 50760 1 6 Boris Furtig . . . . 50760 1 7 'J Tassilo' Grun . . . . 50760 1 8 Martin Hengesbach . . . . 50760 1 9 Katharina Hohmann . F. . . 50760 1 10 Daniel Hymon . . . . 50760 1 11 Bozana Knezic . . . . 50760 1 12 Stephen Peter . A. . . 50760 1 13 Dennis Pyper . . . . 50760 1 14 Nusrat Qureshi . S. . . 50760 1 15 Christian Richter . . . . 50760 1 16 Andreas Schlundt . . . . 50760 1 17 Robbin Schnieders . . . . 50760 1 18 Harald Schwalbe . . . . 50760 1 19 Elke Stirnal . . . . 50760 1 20 Alexey Sudakov . . . . 50760 1 21 Anna Wacker . . . . 50760 1 22 Julia Weigand . E. . . 50760 1 23 Julia Wirmer-Baroschek . . . . 50760 1 24 Jens Wohnert . . . . 50760 1 25 Elke Duchardt-Ferner . . . . 50760 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50760 _Assembly.ID 1 _Assembly.Name 5_SL4 _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_SL4 1 $entity_1 . . yes native no no . . . 50760 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50760 _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 ; GGCACUCGGCUGCAUGCUUA GUGCC ; _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 25 _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 -2 G . 50760 1 2 -1 G . 50760 1 3 96 C . 50760 1 4 97 A . 50760 1 5 98 C . 50760 1 6 99 U . 50760 1 7 100 C . 50760 1 8 101 G . 50760 1 9 102 G . 50760 1 10 103 C . 50760 1 11 104 U . 50760 1 12 105 G . 50760 1 13 106 C . 50760 1 14 107 A . 50760 1 15 108 U . 50760 1 16 109 G . 50760 1 17 110 C . 50760 1 18 111 U . 50760 1 19 112 U . 50760 1 20 113 A . 50760 1 21 114 G . 50760 1 22 115 U . 50760 1 23 116 G . 50760 1 24 +1 C . 50760 1 25 +2 C . 50760 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 50760 1 . G 2 2 50760 1 . C 3 3 50760 1 . A 4 4 50760 1 . C 5 5 50760 1 . U 6 6 50760 1 . C 7 7 50760 1 . G 8 8 50760 1 . G 9 9 50760 1 . C 10 10 50760 1 . U 11 11 50760 1 . G 12 12 50760 1 . C 13 13 50760 1 . A 14 14 50760 1 . U 15 15 50760 1 . G 16 16 50760 1 . C 17 17 50760 1 . U 18 18 50760 1 . U 19 19 50760 1 . A 20 20 50760 1 . G 21 21 50760 1 . U 22 22 50760 1 . G 23 23 50760 1 . C 24 24 50760 1 . C 25 25 50760 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 50760 _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 . 'SARS coronavirus 2' SARS-CoV-2 . . Viruses . Betacoronavirus HCoV-SARS SARS-CoV-2 . . . . . . . . . . . . 50760 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 50760 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'in vitro transcription' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . 50760 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50760 _Sample.ID 1 _Sample.Name 5_SL4short_H2O _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 5_SL4short '[U-13C; U-15N ]' . . 1 $entity_1 . . 350 . . uM . . . . 50760 1 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 50760 1 3 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 50760 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50760 _Sample.ID 2 _Sample.Name 5_SL4short_D2O _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 5_SL4short '[U-13C; U-15N ]' . . 1 $entity_1 . . 350 . . uM . . . . 50760 2 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 50760 2 3 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 50760 2 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 50760 _Sample_condition_list.ID 1 _Sample_condition_list.Name '5_SL4short 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 50760 1 pH 6.2 . pH 50760 1 pressure 1 . atm 50760 1 temperature 283 . K 50760 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 50760 _Sample_condition_list.ID 2 _Sample_condition_list.Name '5_SL4short 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 50760 2 pH 6.2 . pH 50760 2 pressure 1 . atm 50760 2 temperature 298 . K 50760 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50760 _Software.ID 1 _Software.Type . _Software.Name LOGS _Software.Version 2.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50760 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50760 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version 1.9.1.7 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50760 2 'peak picking' . 50760 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50760 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0.6 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50760 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 50760 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance 600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Bruker Avance 600 MHz' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50760 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker Avance 800 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Bruker Avance 800 MHz' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 50760 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name 'Bruker Avance 900 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Bruker Avance 900 MHz' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 50760 _NMR_spectrometer.ID 4 _NMR_spectrometer.Name 'Bruker Avance 950 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Bruker Avance 950 MHz' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_5 _NMR_spectrometer.Entry_ID 50760 _NMR_spectrometer.ID 5 _NMR_spectrometer.Name 'Bruker Avance 700 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Bruker Avance 700 MHz' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 50760 _Experiment_list.ID 1 _Experiment_list.Details ; 5 HSQC[13C]: aromatic region; 6 HSQC[13C]: ribose; 7 NOESY HSQC [13C]: aromatic region; 8 NOESY HSQC [13C]: ribose; 11 H5(C5C4)N3: optimized for U; 12 H5(C5C4)N3: optimized for C. ; 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 HSQC[15N]-2J no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50760 1 2 HSQC[15N]-Imino no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50760 1 3 HSQC[15N]-Amino no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50760 1 4 NOESY[15N]CPMG no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50760 1 5 HSQC[13C] no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50760 1 6 HSQC[13C] no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50760 1 7 'NOESY HSQC [13C]' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50760 1 8 'NOESY HSQC [13C]' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50760 1 9 H(N)CO no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50760 1 10 H(C)P-TOCSY no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . . 50760 1 11 H5(C5C4)N3 no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 50760 1 12 H5(C5C4)N3 no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 50760 1 13 H5(C5)C4 no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 50760 1 14 H6(C6N1)C2 no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50760 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 50760 _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 0.0 external indirect 0.251449530 . . . . . 50760 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 na direct 1.0000000 . . . . . 50760 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 na indirect 0.101329118 . . . . . 50760 1 P 31 DSS 'methyl protons' . . . . ppm 0.0 na indirect 0.404808636 . . . . . 50760 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 50760 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Chemical shift list 283 K' _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 2 HSQC[15N]-Imino . . . 50760 1 3 HSQC[15N]-Amino . . . 50760 1 4 NOESY[15N]CPMG . . . 50760 1 9 H(N)CO . . . 50760 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 . . 50760 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 12.989 0.020 . 1 . . . . . -2 G H1 . 50760 1 2 . 1 . 1 1 1 G C2 C 13 156.348 0.3 . 1 . . . . . -2 G C2 . 50760 1 3 . 1 . 1 1 1 G C6 C 13 162.511 0.3 . 1 . . . . . -2 G C6 . 50760 1 4 . 1 . 1 1 1 G N1 N 15 147.323 0.3 . 1 . . . . . -2 G N1 . 50760 1 5 . 1 . 1 2 2 G H1 H 1 13.424 0.020 . 1 . . . . . -1 G H1 . 50760 1 6 . 1 . 1 2 2 G H21 H 1 6.266 0.020 . 1 . . . . . -1 G H21 . 50760 1 7 . 1 . 1 2 2 G H22 H 1 8.550 0.020 . 1 . . . . . -1 G H22 . 50760 1 8 . 1 . 1 2 2 G C2 C 13 157.090 0.3 . 1 . . . . . -1 G C2 . 50760 1 9 . 1 . 1 2 2 G C6 C 13 161.784 0.3 . 1 . . . . . -1 G C6 . 50760 1 10 . 1 . 1 2 2 G N1 N 15 148.449 0.3 . 1 . . . . . -1 G N1 . 50760 1 11 . 1 . 1 2 2 G N2 N 15 74.675 0.3 . 1 . . . . . -1 G N2 . 50760 1 12 . 1 . 1 3 3 C H41 H 1 7.003 0.020 . 1 . . . . . 96 C H41 . 50760 1 13 . 1 . 1 3 3 C H42 H 1 8.631 0.020 . 1 . . . . . 96 C H42 . 50760 1 14 . 1 . 1 3 3 C N4 N 15 98.521 0.3 . 1 . . . . . 96 C N4 . 50760 1 15 . 1 . 1 4 4 A H61 H 1 6.486 0.020 . 1 . . . . . 97 A H61 . 50760 1 16 . 1 . 1 4 4 A H62 H 1 8.060 0.020 . 1 . . . . . 97 A H62 . 50760 1 17 . 1 . 1 4 4 A N6 N 15 84.475 0.3 . 1 . . . . . 97 A N6 . 50760 1 18 . 1 . 1 5 5 C H41 H 1 7.143 0.020 . 1 . . . . . 98 C H41 . 50760 1 19 . 1 . 1 5 5 C H42 H 1 8.426 0.020 . 1 . . . . . 98 C H42 . 50760 1 20 . 1 . 1 5 5 C N4 N 15 98.565 0.3 . 1 . . . . . 98 C N4 . 50760 1 21 . 1 . 1 6 6 U H3 H 1 13.694 0.020 . 1 . . . . . 99 U H3 . 50760 1 22 . 1 . 1 6 6 U N3 N 15 161.680 0.3 . 1 . . . . . 99 U N3 . 50760 1 23 . 1 . 1 7 7 C H41 H 1 6.049 0.020 . 1 . . . . . 100 C H41 . 50760 1 24 . 1 . 1 7 7 C H42 H 1 6.049 0.020 . 1 . . . . . 100 C H42 . 50760 1 25 . 1 . 1 7 7 C N4 N 15 96.521 0.3 . 1 . . . . . 100 C N4 . 50760 1 26 . 1 . 1 8 8 G H1 H 1 10.731 0.020 . 1 . . . . . 101 G H1 . 50760 1 27 . 1 . 1 8 8 G H21 H 1 6.175 0.020 . 1 . . . . . 101 G H21 . 50760 1 28 . 1 . 1 8 8 G H22 H 1 6.175 0.020 . 1 . . . . . 101 G H22 . 50760 1 29 . 1 . 1 8 8 G C2 C 13 154.186 0.3 . 1 . . . . . 101 G C2 . 50760 1 30 . 1 . 1 8 8 G C6 C 13 161.287 0.3 . 1 . . . . . 101 G C6 . 50760 1 31 . 1 . 1 8 8 G N1 N 15 143.565 0.3 . 1 . . . . . 101 G N1 . 50760 1 32 . 1 . 1 8 8 G N2 N 15 72.109 0.3 . 1 . . . . . 101 G N2 . 50760 1 33 . 1 . 1 9 9 G H1 H 1 13.528 0.020 . 1 . . . . . 102 G H1 . 50760 1 34 . 1 . 1 9 9 G H21 H 1 6.650 0.020 . 1 . . . . . 102 G H21 . 50760 1 35 . 1 . 1 9 9 G H22 H 1 9.058 0.020 . 1 . . . . . 102 G H22 . 50760 1 36 . 1 . 1 9 9 G C2 C 13 157.252 0.3 . 1 . . . . . 102 G C2 . 50760 1 37 . 1 . 1 9 9 G C6 C 13 161.824 0.3 . 1 . . . . . 102 G C6 . 50760 1 38 . 1 . 1 9 9 G N1 N 15 148.542 0.3 . 1 . . . . . 102 G N1 . 50760 1 39 . 1 . 1 9 9 G N2 N 15 76.257 0.3 . 1 . . . . . 102 G N2 . 50760 1 40 . 1 . 1 10 10 C H41 H 1 7.152 0.020 . 1 . . . . . 103 C H41 . 50760 1 41 . 1 . 1 10 10 C H42 H 1 8.610 0.020 . 1 . . . . . 103 C H42 . 50760 1 42 . 1 . 1 10 10 C N4 N 15 98.869 0.3 . 1 . . . . . 103 C N4 . 50760 1 43 . 1 . 1 13 13 C H41 H 1 6.699 0.020 . 1 . . . . . 106 C H41 . 50760 1 44 . 1 . 1 13 13 C H42 H 1 7.216 0.020 . 1 . . . . . 106 C H42 . 50760 1 45 . 1 . 1 13 13 C N4 N 15 94.847 0.3 . 1 . . . . . 106 C N4 . 50760 1 46 . 1 . 1 14 14 A H61 H 1 6.834 0.020 . 1 . . . . . 107 A H61 . 50760 1 47 . 1 . 1 14 14 A H62 H 1 6.834 0.020 . 1 . . . . . 107 A H62 . 50760 1 48 . 1 . 1 14 14 A N6 N 15 80.080 0.3 . 1 . . . . . 107 A N6 . 50760 1 49 . 1 . 1 16 16 G H1 H 1 13.287 0.020 . 1 . . . . . 109 G H1 . 50760 1 50 . 1 . 1 16 16 G C2 C 13 156.920 0.3 . 1 . . . . . 109 G C2 . 50760 1 51 . 1 . 1 16 16 G C6 C 13 162.073 0.3 . 1 . . . . . 109 G C6 . 50760 1 52 . 1 . 1 16 16 G N1 N 15 148.545 0.3 . 1 . . . . . 109 G N1 . 50760 1 53 . 1 . 1 17 17 C H41 H 1 7.039 0.020 . 1 . . . . . 110 C H41 . 50760 1 54 . 1 . 1 17 17 C H42 H 1 8.659 0.020 . 1 . . . . . 110 C H42 . 50760 1 55 . 1 . 1 17 17 C N4 N 15 98.826 0.3 . 1 . . . . . 110 C N4 . 50760 1 56 . 1 . 1 18 18 U H3 H 1 12.044 0.020 . 1 . . . . . 111 U H3 . 50760 1 57 . 1 . 1 18 18 U N3 N 15 158.377 0.3 . 1 . . . . . 111 U N3 . 50760 1 58 . 1 . 1 20 20 A H61 H 1 6.529 0.020 . 1 . . . . . 113 A H61 . 50760 1 59 . 1 . 1 20 20 A H62 H 1 8.004 0.020 . 1 . . . . . 113 A H62 . 50760 1 60 . 1 . 1 20 20 A N6 N 15 82.130 0.3 . 1 . . . . . 113 A N6 . 50760 1 61 . 1 . 1 21 21 G H1 H 1 13.582 0.020 . 1 . . . . . 114 G H1 . 50760 1 62 . 1 . 1 21 21 G H21 H 1 6.193 0.020 . 1 . . . . . 114 G H21 . 50760 1 63 . 1 . 1 21 21 G H22 H 1 8.475 0.020 . 1 . . . . . 114 G H22 . 50760 1 64 . 1 . 1 21 21 G C2 C 13 156.936 0.3 . 1 . . . . . 114 G C2 . 50760 1 65 . 1 . 1 21 21 G C6 C 13 161.740 0.3 . 1 . . . . . 114 G C6 . 50760 1 66 . 1 . 1 21 21 G N1 N 15 148.189 0.3 . 1 . . . . . 114 G N1 . 50760 1 67 . 1 . 1 21 21 G N2 N 15 74.637 0.3 . 1 . . . . . 114 G N2 . 50760 1 68 . 1 . 1 22 22 U H3 H 1 13.813 0.020 . 1 . . . . . 115 U H3 . 50760 1 69 . 1 . 1 22 22 U N3 N 15 162.309 0.3 . 1 . . . . . 115 U N3 . 50760 1 70 . 1 . 1 23 23 G H1 H 1 12.662 0.020 . 1 . . . . . 116 G H1 . 50760 1 71 . 1 . 1 23 23 G C2 C 13 156.508 0.3 . 1 . . . . . 116 G C2 . 50760 1 72 . 1 . 1 23 23 G C6 C 13 161.496 0.3 . 1 . . . . . 116 G C6 . 50760 1 73 . 1 . 1 23 23 G N1 N 15 147.845 0.3 . 1 . . . . . 116 G N1 . 50760 1 74 . 1 . 1 23 23 G N2 N 15 74.964 0.3 . 1 . . . . . 116 G N2 . 50760 1 75 . 1 . 1 24 24 C H41 H 1 7.036 0.020 . 1 . . . . . +1 C H41 . 50760 1 76 . 1 . 1 24 24 C H42 H 1 8.608 0.020 . 1 . . . . . +1 C H42 . 50760 1 77 . 1 . 1 24 24 C N4 N 15 99.532 0.3 . 1 . . . . . +1 C N4 . 50760 1 78 . 1 . 1 25 25 C H41 H 1 7.207 0.020 . 1 . . . . . +2 C H41 . 50760 1 79 . 1 . 1 25 25 C H42 H 1 8.662 0.020 . 1 . . . . . +2 C H42 . 50760 1 80 . 1 . 1 25 25 C N4 N 15 99.513 0.3 . 1 . . . . . +2 C N4 . 50760 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 50760 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'Chemical shift list 298 K' _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 1 HSQC[15N]-2J . . . 50760 2 5 HSQC[13C] . . . 50760 2 6 HSQC[13C] . . . 50760 2 7 'NOESY HSQC [13C]' . . . 50760 2 8 'NOESY HSQC [13C]' . . . 50760 2 10 H(C)P-TOCSY . . . 50760 2 11 H5(C5C4)N3 . . . 50760 2 12 H5(C5C4)N3 . . . 50760 2 13 H5(C5)C4 . . . 50760 2 14 H6(C6N1)C2 . . . 50760 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 . . 50760 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 5.811 0.020 . 1 . . . . . -2 G H1' . 50760 2 2 . 1 . 1 1 1 G H2' H 1 4.930 0.020 . 1 . . . . . -2 G H2' . 50760 2 3 . 1 . 1 1 1 G H3' H 1 4.745 0.020 . 1 . . . . . -2 G H3' . 50760 2 4 . 1 . 1 1 1 G H4' H 1 4.555 0.020 . 1 . . . . . -2 G H4' . 50760 2 5 . 1 . 1 1 1 G H5' H 1 4.445 0.020 . 2 . . . . . -2 G H5' . 50760 2 6 . 1 . 1 1 1 G H5'' H 1 4.283 0.020 . 2 . . . . . -2 G H5'' . 50760 2 7 . 1 . 1 1 1 G H8 H 1 8.160 0.020 . 1 . . . . . -2 G H8 . 50760 2 8 . 1 . 1 1 1 G C1' C 13 91.796 0.3 . 1 . . . . . -2 G C1' . 50760 2 9 . 1 . 1 1 1 G C2' C 13 74.923 0.3 . 1 . . . . . -2 G C2' . 50760 2 10 . 1 . 1 1 1 G C3' C 13 74.375 0.3 . 1 . . . . . -2 G C3' . 50760 2 11 . 1 . 1 1 1 G C4' C 13 83.338 0.3 . 1 . . . . . -2 G C4' . 50760 2 12 . 1 . 1 1 1 G C5' C 13 66.888 0.3 . 1 . . . . . -2 G C5' . 50760 2 13 . 1 . 1 1 1 G C8 C 13 139.253 0.3 . 1 . . . . . -2 G C8 . 50760 2 14 . 1 . 1 1 1 G N2 N 15 75.075 0.3 . 1 . . . . . -2 G N2 . 50760 2 15 . 1 . 1 1 1 G N7 N 15 231.877 0.3 . 1 . . . . . -2 G N7 . 50760 2 16 . 1 . 1 1 1 G N9 N 15 168.898 0.3 . 1 . . . . . -2 G N9 . 50760 2 17 . 1 . 1 2 2 G H1' H 1 5.906 0.020 . 1 . . . . . -1 G H1' . 50760 2 18 . 1 . 1 2 2 G H2' H 1 4.557 0.020 . 1 . . . . . -1 G H2' . 50760 2 19 . 1 . 1 2 2 G H3' H 1 4.583 0.020 . 1 . . . . . -1 G H3' . 50760 2 20 . 1 . 1 2 2 G H4' H 1 4.543 0.020 . 1 . . . . . -1 G H4' . 50760 2 21 . 1 . 1 2 2 G H5' H 1 4.531 0.020 . 2 . . . . . -1 G H5' . 50760 2 22 . 1 . 1 2 2 G H5'' H 1 4.242 0.020 . 2 . . . . . -1 G H5'' . 50760 2 23 . 1 . 1 2 2 G H8 H 1 7.605 0.020 . 1 . . . . . -1 G H8 . 50760 2 24 . 1 . 1 2 2 G C1' C 13 92.996 0.3 . 1 . . . . . -1 G C1' . 50760 2 25 . 1 . 1 2 2 G C2' C 13 75.277 0.3 . 1 . . . . . -1 G C2' . 50760 2 26 . 1 . 1 2 2 G C3' C 13 72.870 0.3 . 1 . . . . . -1 G C3' . 50760 2 27 . 1 . 1 2 2 G C4' C 13 82.377 0.3 . 1 . . . . . -1 G C4' . 50760 2 28 . 1 . 1 2 2 G C5' C 13 65.826 0.3 . 1 . . . . . -1 G C5' . 50760 2 29 . 1 . 1 2 2 G C8 C 13 136.748 0.3 . 1 . . . . . -1 G C8 . 50760 2 30 . 1 . 1 2 2 G N7 N 15 233.685 0.3 . 1 . . . . . -1 G N7 . 50760 2 31 . 1 . 1 2 2 G N9 N 15 169.423 0.3 . 1 . . . . . -1 G N9 . 50760 2 32 . 1 . 1 2 2 G P P 31 -0.859 0.3 . 1 . . . . . -1 G P . 50760 2 33 . 1 . 1 3 3 C H1' H 1 5.529 0.020 . 1 . . . . . 96 C H1' . 50760 2 34 . 1 . 1 3 3 C H2' H 1 4.583 0.020 . 1 . . . . . 96 C H2' . 50760 2 35 . 1 . 1 3 3 C H3' H 1 4.556 0.020 . 1 . . . . . 96 C H3' . 50760 2 36 . 1 . 1 3 3 C H4' H 1 4.441 0.020 . 1 . . . . . 96 C H4' . 50760 2 37 . 1 . 1 3 3 C H5 H 1 5.277 0.020 . 1 . . . . . 96 C H5 . 50760 2 38 . 1 . 1 3 3 C H5' H 1 4.502 0.020 . 2 . . . . . 96 C H5' . 50760 2 39 . 1 . 1 3 3 C H5'' H 1 4.129 0.020 . 2 . . . . . 96 C H5'' . 50760 2 40 . 1 . 1 3 3 C H6 H 1 7.708 0.020 . 1 . . . . . 96 C H6 . 50760 2 41 . 1 . 1 3 3 C C1' C 13 93.710 0.3 . 1 . . . . . 96 C C1' . 50760 2 42 . 1 . 1 3 3 C C2 C 13 158.697 0.3 . 1 . . . . . 96 C C2 . 50760 2 43 . 1 . 1 3 3 C C2' C 13 75.252 0.3 . 1 . . . . . 96 C C2' . 50760 2 44 . 1 . 1 3 3 C C3' C 13 72.166 0.3 . 1 . . . . . 96 C C3' . 50760 2 45 . 1 . 1 3 3 C C4 C 13 168.440 0.3 . 1 . . . . . 96 C C4 . 50760 2 46 . 1 . 1 3 3 C C4' C 13 81.863 0.3 . 1 . . . . . 96 C C4' . 50760 2 47 . 1 . 1 3 3 C C5 C 13 97.403 0.3 . 1 . . . . . 96 C C5 . 50760 2 48 . 1 . 1 3 3 C C5' C 13 65.392 0.3 . 1 . . . . . 96 C C5' . 50760 2 49 . 1 . 1 3 3 C C6 C 13 140.733 0.3 . 1 . . . . . 96 C C6 . 50760 2 50 . 1 . 1 3 3 C N3 N 15 196.774 0.3 . 1 . . . . . 96 C N3 . 50760 2 51 . 1 . 1 3 3 C P P 31 -1.296 0.3 . 1 . . . . . 96 C P . 50760 2 52 . 1 . 1 4 4 A H1' H 1 5.940 0.020 . 1 . . . . . 97 A H1' . 50760 2 53 . 1 . 1 4 4 A H2 H 1 7.344 0.020 . 1 . . . . . 97 A H2 . 50760 2 54 . 1 . 1 4 4 A H2' H 1 4.593 0.020 . 1 . . . . . 97 A H2' . 50760 2 55 . 1 . 1 4 4 A H3' H 1 4.614 0.020 . 1 . . . . . 97 A H3' . 50760 2 56 . 1 . 1 4 4 A H4' H 1 4.504 0.020 . 1 . . . . . 97 A H4' . 50760 2 57 . 1 . 1 4 4 A H5' H 1 4.548 0.020 . 2 . . . . . 97 A H5' . 50760 2 58 . 1 . 1 4 4 A H5'' H 1 4.143 0.020 . 2 . . . . . 97 A H5'' . 50760 2 59 . 1 . 1 4 4 A H8 H 1 8.002 0.020 . 1 . . . . . 97 A H8 . 50760 2 60 . 1 . 1 4 4 A C1' C 13 93.043 0.3 . 1 . . . . . 97 A C1' . 50760 2 61 . 1 . 1 4 4 A C2 C 13 153.134 0.3 . 1 . . . . . 97 A C2 . 50760 2 62 . 1 . 1 4 4 A C2' C 13 75.561 0.3 . 1 . . . . . 97 A C2' . 50760 2 63 . 1 . 1 4 4 A C3' C 13 72.949 0.3 . 1 . . . . . 97 A C3' . 50760 2 64 . 1 . 1 4 4 A C4' C 13 81.986 0.3 . 1 . . . . . 97 A C4' . 50760 2 65 . 1 . 1 4 4 A C5' C 13 65.019 0.3 . 1 . . . . . 97 A C5' . 50760 2 66 . 1 . 1 4 4 A C8 C 13 139.299 0.3 . 1 . . . . . 97 A C8 . 50760 2 67 . 1 . 1 4 4 A N1 N 15 222.158 0.3 . 1 . . . . . 97 A N1 . 50760 2 68 . 1 . 1 4 4 A N3 N 15 213.040 0.3 . 1 . . . . . 97 A N3 . 50760 2 69 . 1 . 1 4 4 A N7 N 15 230.443 0.3 . 1 . . . . . 97 A N7 . 50760 2 70 . 1 . 1 4 4 A N9 N 15 170.628 0.3 . 1 . . . . . 97 A N9 . 50760 2 71 . 1 . 1 4 4 A P P 31 -0.897 0.3 . 1 . . . . . 97 A P . 50760 2 72 . 1 . 1 5 5 C H1' H 1 5.352 0.020 . 1 . . . . . 98 C H1' . 50760 2 73 . 1 . 1 5 5 C H2' H 1 4.177 0.020 . 1 . . . . . 98 C H2' . 50760 2 74 . 1 . 1 5 5 C H3' H 1 4.339 0.020 . 1 . . . . . 98 C H3' . 50760 2 75 . 1 . 1 5 5 C H4' H 1 4.398 0.020 . 1 . . . . . 98 C H4' . 50760 2 76 . 1 . 1 5 5 C H5 H 1 5.205 0.020 . 1 . . . . . 98 C H5 . 50760 2 77 . 1 . 1 5 5 C H6 H 1 7.468 0.020 . 1 . . . . . 98 C H6 . 50760 2 78 . 1 . 1 5 5 C C1' C 13 93.913 0.3 . 1 . . . . . 98 C C1' . 50760 2 79 . 1 . 1 5 5 C C2' C 13 75.485 0.3 . 1 . . . . . 98 C C2' . 50760 2 80 . 1 . 1 5 5 C C3' C 13 72.229 0.3 . 1 . . . . . 98 C C3' . 50760 2 81 . 1 . 1 5 5 C C4 C 13 168.551 0.3 . 1 . . . . . 98 C C4 . 50760 2 82 . 1 . 1 5 5 C C4' C 13 81.813 0.3 . 1 . . . . . 98 C C4' . 50760 2 83 . 1 . 1 5 5 C C5 C 13 97.246 0.3 . 1 . . . . . 98 C C5 . 50760 2 84 . 1 . 1 5 5 C C6 C 13 140.768 0.3 . 1 . . . . . 98 C C6 . 50760 2 85 . 1 . 1 5 5 C N3 N 15 197.499 0.3 . 1 . . . . . 98 C N3 . 50760 2 86 . 1 . 1 5 5 C P P 31 -1.328 0.3 . 1 . . . . . 98 C P . 50760 2 87 . 1 . 1 6 6 U H1' H 1 5.562 0.020 . 1 . . . . . 99 U H1' . 50760 2 88 . 1 . 1 6 6 U H2' H 1 4.171 0.020 . 1 . . . . . 99 U H2' . 50760 2 89 . 1 . 1 6 6 U H3' H 1 4.556 0.020 . 1 . . . . . 99 U H3' . 50760 2 90 . 1 . 1 6 6 U H4' H 1 4.381 0.020 . 1 . . . . . 99 U H4' . 50760 2 91 . 1 . 1 6 6 U H5 H 1 5.324 0.020 . 1 . . . . . 99 U H5 . 50760 2 92 . 1 . 1 6 6 U H6 H 1 7.834 0.020 . 1 . . . . . 99 U H6 . 50760 2 93 . 1 . 1 6 6 U C1' C 13 93.398 0.3 . 1 . . . . . 99 U C1' . 50760 2 94 . 1 . 1 6 6 U C2 C 13 152.773 0.3 . 1 . . . . . 99 U C2 . 50760 2 95 . 1 . 1 6 6 U C2' C 13 75.557 0.3 . 1 . . . . . 99 U C2' . 50760 2 96 . 1 . 1 6 6 U C3' C 13 72.426 0.3 . 1 . . . . . 99 U C3' . 50760 2 97 . 1 . 1 6 6 U C4 C 13 169.318 0.3 . 1 . . . . . 99 U C4 . 50760 2 98 . 1 . 1 6 6 U C4' C 13 82.329 0.3 . 1 . . . . . 99 U C4' . 50760 2 99 . 1 . 1 6 6 U C5 C 13 103.240 0.3 . 1 . . . . . 99 U C5 . 50760 2 100 . 1 . 1 6 6 U C5' C 13 67.592 0.3 . 1 . . . . . 99 U C5' . 50760 2 101 . 1 . 1 6 6 U C6 C 13 142.250 0.3 . 1 . . . . . 99 U C6 . 50760 2 102 . 1 . 1 6 6 U N3 N 15 160.644 0.3 . 1 . . . . . 99 U N3 . 50760 2 103 . 1 . 1 6 6 U P P 31 -1.518 0.3 . 1 . . . . . 99 U P . 50760 2 104 . 1 . 1 7 7 C H1' H 1 5.806 0.020 . 1 . . . . . 100 C H1' . 50760 2 105 . 1 . 1 7 7 C H2' H 1 4.538 0.020 . 1 . . . . . 100 C H2' . 50760 2 106 . 1 . 1 7 7 C H3' H 1 4.468 0.020 . 1 . . . . . 100 C H3' . 50760 2 107 . 1 . 1 7 7 C H4' H 1 4.396 0.020 . 1 . . . . . 100 C H4' . 50760 2 108 . 1 . 1 7 7 C H5 H 1 5.563 0.020 . 1 . . . . . 100 C H5 . 50760 2 109 . 1 . 1 7 7 C H5' H 1 4.500 0.020 . 2 . . . . . 100 C H5' . 50760 2 110 . 1 . 1 7 7 C H5'' H 1 4.130 0.020 . 2 . . . . . 100 C H5'' . 50760 2 111 . 1 . 1 7 7 C H6 H 1 7.788 0.020 . 1 . . . . . 100 C H6 . 50760 2 112 . 1 . 1 7 7 C C1' C 13 93.271 0.3 . 1 . . . . . 100 C C1' . 50760 2 113 . 1 . 1 7 7 C C2 C 13 158.270 0.3 . 1 . . . . . 100 C C2 . 50760 2 114 . 1 . 1 7 7 C C2' C 13 76.093 0.3 . 1 . . . . . 100 C C2' . 50760 2 115 . 1 . 1 7 7 C C3' C 13 72.665 0.3 . 1 . . . . . 100 C C3' . 50760 2 116 . 1 . 1 7 7 C C4 C 13 166.870 0.3 . 1 . . . . . 100 C C4 . 50760 2 117 . 1 . 1 7 7 C C4' C 13 81.390 0.3 . 1 . . . . . 100 C C4' . 50760 2 118 . 1 . 1 7 7 C C5 C 13 97.588 0.3 . 1 . . . . . 100 C C5 . 50760 2 119 . 1 . 1 7 7 C C5' C 13 65.083 0.3 . 1 . . . . . 100 C C5' . 50760 2 120 . 1 . 1 7 7 C C6 C 13 141.788 0.3 . 1 . . . . . 100 C C6 . 50760 2 121 . 1 . 1 7 7 C P P 31 -0.958 0.3 . 1 . . . . . 100 C P . 50760 2 122 . 1 . 1 8 8 G H1' H 1 5.638 0.020 . 1 . . . . . 101 G H1' . 50760 2 123 . 1 . 1 8 8 G H2' H 1 4.723 0.020 . 1 . . . . . 101 G H2' . 50760 2 124 . 1 . 1 8 8 G H3' H 1 4.288 0.020 . 1 . . . . . 101 G H3' . 50760 2 125 . 1 . 1 8 8 G H4' H 1 4.496 0.020 . 1 . . . . . 101 G H4' . 50760 2 126 . 1 . 1 8 8 G H5' H 1 4.295 0.020 . 2 . . . . . 101 G H5' . 50760 2 127 . 1 . 1 8 8 G H5'' H 1 4.090 0.020 . 2 . . . . . 101 G H5'' . 50760 2 128 . 1 . 1 8 8 G H8 H 1 7.448 0.020 . 1 . . . . . 101 G H8 . 50760 2 129 . 1 . 1 8 8 G C1' C 13 93.374 0.3 . 1 . . . . . 101 G C1' . 50760 2 130 . 1 . 1 8 8 G C2' C 13 74.819 0.3 . 1 . . . . . 101 G C2' . 50760 2 131 . 1 . 1 8 8 G C3' C 13 73.676 0.3 . 1 . . . . . 101 G C3' . 50760 2 132 . 1 . 1 8 8 G C4' C 13 82.815 0.3 . 1 . . . . . 101 G C4' . 50760 2 133 . 1 . 1 8 8 G C5' C 13 67.660 0.3 . 1 . . . . . 101 G C5' . 50760 2 134 . 1 . 1 8 8 G C8 C 13 137.090 0.3 . 1 . . . . . 101 G C8 . 50760 2 135 . 1 . 1 8 8 G N7 N 15 233.777 0.3 . 1 . . . . . 101 G N7 . 50760 2 136 . 1 . 1 8 8 G N9 N 15 169.040 0.3 . 1 . . . . . 101 G N9 . 50760 2 137 . 1 . 1 8 8 G P P 31 -0.398 0.3 . 1 . . . . . 101 G P . 50760 2 138 . 1 . 1 9 9 G H1' H 1 5.690 0.020 . 1 . . . . . 102 G H1' . 50760 2 139 . 1 . 1 9 9 G H2' H 1 4.486 0.020 . 1 . . . . . 102 G H2' . 50760 2 140 . 1 . 1 9 9 G H3' H 1 4.286 0.020 . 1 . . . . . 102 G H3' . 50760 2 141 . 1 . 1 9 9 G H4' H 1 4.409 0.020 . 1 . . . . . 102 G H4' . 50760 2 142 . 1 . 1 9 9 G H5' H 1 4.486 0.020 . 2 . . . . . 102 G H5' . 50760 2 143 . 1 . 1 9 9 G H5'' H 1 4.087 0.020 . 2 . . . . . 102 G H5'' . 50760 2 144 . 1 . 1 9 9 G H8 H 1 7.207 0.020 . 1 . . . . . 102 G H8 . 50760 2 145 . 1 . 1 9 9 G C1' C 13 93.113 0.3 . 1 . . . . . 102 G C1' . 50760 2 146 . 1 . 1 9 9 G C2' C 13 75.165 0.3 . 1 . . . . . 102 G C2' . 50760 2 147 . 1 . 1 9 9 G C3' C 13 73.511 0.3 . 1 . . . . . 102 G C3' . 50760 2 148 . 1 . 1 9 9 G C4' C 13 83.408 0.3 . 1 . . . . . 102 G C4' . 50760 2 149 . 1 . 1 9 9 G C5' C 13 64.321 0.3 . 1 . . . . . 102 G C5' . 50760 2 150 . 1 . 1 9 9 G C8 C 13 136.182 0.3 . 1 . . . . . 102 G C8 . 50760 2 151 . 1 . 1 9 9 G N7 N 15 233.988 0.3 . 1 . . . . . 102 G N7 . 50760 2 152 . 1 . 1 9 9 G N9 N 15 169.557 0.3 . 1 . . . . . 102 G N9 . 50760 2 153 . 1 . 1 9 9 G P P 31 -1.212 0.3 . 1 . . . . . 102 G P . 50760 2 154 . 1 . 1 10 10 C H1' H 1 5.566 0.020 . 1 . . . . . 103 C H1' . 50760 2 155 . 1 . 1 10 10 C H2' H 1 4.386 0.020 . 1 . . . . . 103 C H2' . 50760 2 156 . 1 . 1 10 10 C H3' H 1 4.344 0.020 . 1 . . . . . 103 C H3' . 50760 2 157 . 1 . 1 10 10 C H4' H 1 4.384 0.020 . 1 . . . . . 103 C H4' . 50760 2 158 . 1 . 1 10 10 C H5 H 1 5.172 0.020 . 1 . . . . . 103 C H5 . 50760 2 159 . 1 . 1 10 10 C H5' H 1 4.510 0.020 . 2 . . . . . 103 C H5' . 50760 2 160 . 1 . 1 10 10 C H5'' H 1 4.045 0.020 . 2 . . . . . 103 C H5'' . 50760 2 161 . 1 . 1 10 10 C H6 H 1 7.461 0.020 . 1 . . . . . 103 C H6 . 50760 2 162 . 1 . 1 10 10 C C1' C 13 94.191 0.3 . 1 . . . . . 103 C C1' . 50760 2 163 . 1 . 1 10 10 C C2' C 13 75.535 0.3 . 1 . . . . . 103 C C2' . 50760 2 164 . 1 . 1 10 10 C C3' C 13 72.380 0.3 . 1 . . . . . 103 C C3' . 50760 2 165 . 1 . 1 10 10 C C4 C 13 168.424 0.3 . 1 . . . . . 103 C C4 . 50760 2 166 . 1 . 1 10 10 C C4' C 13 81.793 0.3 . 1 . . . . . 103 C C4' . 50760 2 167 . 1 . 1 10 10 C C5 C 13 97.423 0.3 . 1 . . . . . 103 C C5 . 50760 2 168 . 1 . 1 10 10 C C5' C 13 64.540 0.3 . 1 . . . . . 103 C C5' . 50760 2 169 . 1 . 1 10 10 C C6 C 13 140.870 0.3 . 1 . . . . . 103 C C6 . 50760 2 170 . 1 . 1 10 10 C N1 N 15 150.914 0.3 . 1 . . . . . 103 C N1 . 50760 2 171 . 1 . 1 10 10 C N3 N 15 197.167 0.3 . 1 . . . . . 103 C N3 . 50760 2 172 . 1 . 1 10 10 C P P 31 -1.349 0.3 . 1 . . . . . 103 C P . 50760 2 173 . 1 . 1 11 11 U H1' H 1 5.695 0.020 . 1 . . . . . 104 U H1' . 50760 2 174 . 1 . 1 11 11 U H2' H 1 4.260 0.020 . 1 . . . . . 104 U H2' . 50760 2 175 . 1 . 1 11 11 U H3' H 1 4.523 0.020 . 1 . . . . . 104 U H3' . 50760 2 176 . 1 . 1 11 11 U H4' H 1 4.406 0.020 . 1 . . . . . 104 U H4' . 50760 2 177 . 1 . 1 11 11 U H5 H 1 5.463 0.020 . 2 . . . . . 104 U H5 . 50760 2 178 . 1 . 1 11 11 U H5' H 1 4.383 0.020 . 2 . . . . . 104 U H5' . 50760 2 179 . 1 . 1 11 11 U H5'' H 1 4.068 0.020 . 2 . . . . . 104 U H5'' . 50760 2 180 . 1 . 1 11 11 U H6 H 1 7.648 0.020 . 1 . . . . . 104 U H6 . 50760 2 181 . 1 . 1 11 11 U C1' C 13 92.603 0.3 . 1 . . . . . 104 U C1' . 50760 2 182 . 1 . 1 11 11 U C2 C 13 153.525 0.3 . 1 . . . . . 104 U C2 . 50760 2 183 . 1 . 1 11 11 U C2' C 13 75.682 0.3 . 1 . . . . . 104 U C2' . 50760 2 184 . 1 . 1 11 11 U C3' C 13 74.753 0.3 . 1 . . . . . 104 U C3' . 50760 2 185 . 1 . 1 11 11 U C4 C 13 167.855 0.3 . 1 . . . . . 104 U C4 . 50760 2 186 . 1 . 1 11 11 U C4' C 13 83.537 0.3 . 1 . . . . . 104 U C4' . 50760 2 187 . 1 . 1 11 11 U C5 C 13 104.717 0.3 . 1 . . . . . 104 U C5 . 50760 2 188 . 1 . 1 11 11 U C5' C 13 65.725 0.3 . 1 . . . . . 104 U C5' . 50760 2 189 . 1 . 1 11 11 U C6 C 13 141.470 0.3 . 1 . . . . . 104 U C6 . 50760 2 190 . 1 . 1 11 11 U N3 N 15 158.669 0.3 . 1 . . . . . 104 U N3 . 50760 2 191 . 1 . 1 11 11 U P P 31 -1.191 0.3 . 1 . . . . . 104 U P . 50760 2 192 . 1 . 1 12 12 G H1' H 1 5.675 0.020 . 1 . . . . . 105 G H1' . 50760 2 193 . 1 . 1 12 12 G H2' H 1 4.770 0.020 . 1 . . . . . 105 G H2' . 50760 2 194 . 1 . 1 12 12 G H3' H 1 4.528 0.020 . 1 . . . . . 105 G H3' . 50760 2 195 . 1 . 1 12 12 G H4' H 1 4.375 0.020 . 1 . . . . . 105 G H4' . 50760 2 196 . 1 . 1 12 12 G H5' H 1 4.225 0.020 . 2 . . . . . 105 G H5' . 50760 2 197 . 1 . 1 12 12 G H5'' H 1 4.055 0.020 . 2 . . . . . 105 G H5'' . 50760 2 198 . 1 . 1 12 12 G H8 H 1 7.924 0.020 . 1 . . . . . 105 G H8 . 50760 2 199 . 1 . 1 12 12 G C1' C 13 89.264 0.3 . 1 . . . . . 105 G C1' . 50760 2 200 . 1 . 1 12 12 G C2' C 13 75.153 0.3 . 1 . . . . . 105 G C2' . 50760 2 201 . 1 . 1 12 12 G C3' C 13 77.693 0.3 . 1 . . . . . 105 G C3' . 50760 2 202 . 1 . 1 12 12 G C4' C 13 85.556 0.3 . 1 . . . . . 105 G C4' . 50760 2 203 . 1 . 1 12 12 G C5' C 13 67.451 0.3 . 1 . . . . . 105 G C5' . 50760 2 204 . 1 . 1 12 12 G C8 C 13 140.076 0.3 . 1 . . . . . 105 G C8 . 50760 2 205 . 1 . 1 12 12 G N7 N 15 236.826 0.3 . 1 . . . . . 105 G N7 . 50760 2 206 . 1 . 1 12 12 G N9 N 15 166.277 0.3 . 1 . . . . . 105 G N9 . 50760 2 207 . 1 . 1 12 12 G P P 31 -0.740 0.3 . 1 . . . . . 105 G P . 50760 2 208 . 1 . 1 13 13 C H1' H 1 5.560 0.020 . 1 . . . . . 106 C H1' . 50760 2 209 . 1 . 1 13 13 C H2' H 1 4.010 0.020 . 1 . . . . . 106 C H2' . 50760 2 210 . 1 . 1 13 13 C H3' H 1 4.463 0.020 . 1 . . . . . 106 C H3' . 50760 2 211 . 1 . 1 13 13 C H4' H 1 3.897 0.020 . 1 . . . . . 106 C H4' . 50760 2 212 . 1 . 1 13 13 C H5 H 1 5.719 0.020 . 1 . . . . . 106 C H5 . 50760 2 213 . 1 . 1 13 13 C H5' H 1 3.880 0.020 . 2 . . . . . 106 C H5' . 50760 2 214 . 1 . 1 13 13 C H5'' H 1 3.737 0.020 . 2 . . . . . 106 C H5'' . 50760 2 215 . 1 . 1 13 13 C H6 H 1 7.496 0.020 . 1 . . . . . 106 C H6 . 50760 2 216 . 1 . 1 13 13 C C1' C 13 89.711 0.3 . 1 . . . . . 106 C C1' . 50760 2 217 . 1 . 1 13 13 C C2 C 13 159.789 0.3 . 1 . . . . . 106 C C2 . 50760 2 218 . 1 . 1 13 13 C C2' C 13 77.009 0.3 . 1 . . . . . 106 C C2' . 50760 2 219 . 1 . 1 13 13 C C3' C 13 78.266 0.3 . 1 . . . . . 106 C C3' . 50760 2 220 . 1 . 1 13 13 C C4 C 13 167.987 0.3 . 1 . . . . . 106 C C4 . 50760 2 221 . 1 . 1 13 13 C C4' C 13 84.620 0.3 . 1 . . . . . 106 C C4' . 50760 2 222 . 1 . 1 13 13 C C5 C 13 98.765 0.3 . 1 . . . . . 106 C C5 . 50760 2 223 . 1 . 1 13 13 C C5' C 13 67.790 0.3 . 1 . . . . . 106 C C5' . 50760 2 224 . 1 . 1 13 13 C C6 C 13 143.335 0.3 . 1 . . . . . 106 C C6 . 50760 2 225 . 1 . 1 13 13 C N3 N 15 199.566 0.3 . 1 . . . . . 106 C N3 . 50760 2 226 . 1 . 1 13 13 C P P 31 -0.891 0.3 . 1 . . . . . 106 C P . 50760 2 227 . 1 . 1 14 14 A H1' H 1 6.045 0.020 . 1 . . . . . 107 A H1' . 50760 2 228 . 1 . 1 14 14 A H2 H 1 8.034 0.020 . 1 . . . . . 107 A H2 . 50760 2 229 . 1 . 1 14 14 A H2' H 1 4.958 0.020 . 1 . . . . . 107 A H2' . 50760 2 230 . 1 . 1 14 14 A H3' H 1 5.048 0.020 . 1 . . . . . 107 A H3' . 50760 2 231 . 1 . 1 14 14 A H4' H 1 4.465 0.020 . 1 . . . . . 107 A H4' . 50760 2 232 . 1 . 1 14 14 A H5' H 1 4.175 0.020 . 2 . . . . . 107 A H5' . 50760 2 233 . 1 . 1 14 14 A H5'' H 1 4.036 0.020 . 2 . . . . . 107 A H5'' . 50760 2 234 . 1 . 1 14 14 A H8 H 1 8.208 0.020 . 1 . . . . . 107 A H8 . 50760 2 235 . 1 . 1 14 14 A C1' C 13 90.228 0.3 . 1 . . . . . 107 A C1' . 50760 2 236 . 1 . 1 14 14 A C2 C 13 155.135 0.3 . 1 . . . . . 107 A C2 . 50760 2 237 . 1 . 1 14 14 A C2' C 13 76.030 0.3 . 1 . . . . . 107 A C2' . 50760 2 238 . 1 . 1 14 14 A C3' C 13 76.980 0.3 . 1 . . . . . 107 A C3' . 50760 2 239 . 1 . 1 14 14 A C4' C 13 84.895 0.3 . 1 . . . . . 107 A C4' . 50760 2 240 . 1 . 1 14 14 A C5' C 13 68.184 0.3 . 1 . . . . . 107 A C5' . 50760 2 241 . 1 . 1 14 14 A C8 C 13 142.033 0.3 . 1 . . . . . 107 A C8 . 50760 2 242 . 1 . 1 14 14 A N1 N 15 224.128 0.3 . 1 . . . . . 107 A N1 . 50760 2 243 . 1 . 1 14 14 A N3 N 15 217.105 0.3 . 1 . . . . . 107 A N3 . 50760 2 244 . 1 . 1 14 14 A N7 N 15 232.402 0.3 . 1 . . . . . 107 A N7 . 50760 2 245 . 1 . 1 14 14 A N9 N 15 169.758 0.3 . 1 . . . . . 107 A N9 . 50760 2 246 . 1 . 1 14 14 A P P 31 -0.958 0.3 . 1 . . . . . 107 A P . 50760 2 247 . 1 . 1 15 15 U H1' H 1 5.915 0.020 . 1 . . . . . 108 U H1' . 50760 2 248 . 1 . 1 15 15 U H2' H 1 4.554 0.020 . 1 . . . . . 108 U H2' . 50760 2 249 . 1 . 1 15 15 U H3' H 1 4.683 0.020 . 1 . . . . . 108 U H3' . 50760 2 250 . 1 . 1 15 15 U H4' H 1 4.555 0.020 . 1 . . . . . 108 U H4' . 50760 2 251 . 1 . 1 15 15 U H5 H 1 5.906 0.020 . 1 . . . . . 108 U H5 . 50760 2 252 . 1 . 1 15 15 U H5' H 1 4.334 0.020 . 2 . . . . . 108 U H5' . 50760 2 253 . 1 . 1 15 15 U H5'' H 1 4.285 0.020 . 2 . . . . . 108 U H5'' . 50760 2 254 . 1 . 1 15 15 U H6 H 1 7.852 0.020 . 1 . . . . . 108 U H6 . 50760 2 255 . 1 . 1 15 15 U C1' C 13 91.787 0.3 . 1 . . . . . 108 U C1' . 50760 2 256 . 1 . 1 15 15 U C2 C 13 154.110 0.3 . 1 . . . . . 108 U C2 . 50760 2 257 . 1 . 1 15 15 U C2' C 13 75.372 0.3 . 1 . . . . . 108 U C2' . 50760 2 258 . 1 . 1 15 15 U C3' C 13 76.331 0.3 . 1 . . . . . 108 U C3' . 50760 2 259 . 1 . 1 15 15 U C4 C 13 168.759 0.3 . 1 . . . . . 108 U C4 . 50760 2 260 . 1 . 1 15 15 U C5 C 13 105.242 0.3 . 1 . . . . . 108 U C5 . 50760 2 261 . 1 . 1 15 15 U C5' C 13 68.155 0.3 . 1 . . . . . 108 U C5' . 50760 2 262 . 1 . 1 15 15 U C6 C 13 144.177 0.3 . 1 . . . . . 108 U C6 . 50760 2 263 . 1 . 1 15 15 U N3 N 15 157.317 0.3 . 1 . . . . . 108 U N3 . 50760 2 264 . 1 . 1 15 15 U P P 31 -0.827 0.3 . 1 . . . . . 108 U P . 50760 2 265 . 1 . 1 16 16 G H1' H 1 5.274 0.020 . 1 . . . . . 109 G H1' . 50760 2 266 . 1 . 1 16 16 G H2' H 1 4.557 0.020 . 1 . . . . . 109 G H2' . 50760 2 267 . 1 . 1 16 16 G H3' H 1 4.390 0.020 . 1 . . . . . 109 G H3' . 50760 2 268 . 1 . 1 16 16 G H4' H 1 4.476 0.020 . 1 . . . . . 109 G H4' . 50760 2 269 . 1 . 1 16 16 G H5' H 1 4.362 0.020 . 2 . . . . . 109 G H5' . 50760 2 270 . 1 . 1 16 16 G H5'' H 1 4.137 0.020 . 2 . . . . . 109 G H5'' . 50760 2 271 . 1 . 1 16 16 G H8 H 1 7.432 0.020 . 1 . . . . . 109 G H8 . 50760 2 272 . 1 . 1 16 16 G C1' C 13 92.693 0.3 . 1 . . . . . 109 G C1' . 50760 2 273 . 1 . 1 16 16 G C2' C 13 74.997 0.3 . 1 . . . . . 109 G C2' . 50760 2 274 . 1 . 1 16 16 G C3' C 13 73.876 0.3 . 1 . . . . . 109 G C3' . 50760 2 275 . 1 . 1 16 16 G C4' C 13 82.877 0.3 . 1 . . . . . 109 G C4' . 50760 2 276 . 1 . 1 16 16 G C5' C 13 66.926 0.3 . 1 . . . . . 109 G C5' . 50760 2 277 . 1 . 1 16 16 G C8 C 13 137.159 0.3 . 1 . . . . . 109 G C8 . 50760 2 278 . 1 . 1 16 16 G N7 N 15 234.158 0.3 . 1 . . . . . 109 G N7 . 50760 2 279 . 1 . 1 16 16 G N9 N 15 170.144 0.3 . 1 . . . . . 109 G N9 . 50760 2 280 . 1 . 1 16 16 G P P 31 -0.672 0.3 . 1 . . . . . 109 G P . 50760 2 281 . 1 . 1 17 17 C H1' H 1 5.569 0.020 . 1 . . . . . 110 C H1' . 50760 2 282 . 1 . 1 17 17 C H2' H 1 4.663 0.020 . 1 . . . . . 110 C H2' . 50760 2 283 . 1 . 1 17 17 C H3' H 1 4.309 0.020 . 1 . . . . . 110 C H3' . 50760 2 284 . 1 . 1 17 17 C H4' H 1 4.454 0.020 . 1 . . . . . 110 C H4' . 50760 2 285 . 1 . 1 17 17 C H5 H 1 5.213 0.020 . 1 . . . . . 110 C H5 . 50760 2 286 . 1 . 1 17 17 C H5' H 1 4.523 0.020 . 2 . . . . . 110 C H5' . 50760 2 287 . 1 . 1 17 17 C H5'' H 1 4.115 0.020 . 2 . . . . . 110 C H5'' . 50760 2 288 . 1 . 1 17 17 C H6 H 1 7.572 0.020 . 1 . . . . . 110 C H6 . 50760 2 289 . 1 . 1 17 17 C C1' C 13 93.993 0.3 . 1 . . . . . 110 C C1' . 50760 2 290 . 1 . 1 17 17 C C2 C 13 158.882 0.3 . 1 . . . . . 110 C C2 . 50760 2 291 . 1 . 1 17 17 C C2' C 13 75.399 0.3 . 1 . . . . . 110 C C2' . 50760 2 292 . 1 . 1 17 17 C C3' C 13 72.109 0.3 . 1 . . . . . 110 C C3' . 50760 2 293 . 1 . 1 17 17 C C4 C 13 168.045 0.3 . 1 . . . . . 110 C C4 . 50760 2 294 . 1 . 1 17 17 C C4' C 13 81.815 0.3 . 1 . . . . . 110 C C4' . 50760 2 295 . 1 . 1 17 17 C C5 C 13 96.872 0.3 . 1 . . . . . 110 C C5 . 50760 2 296 . 1 . 1 17 17 C C5' C 13 64.878 0.3 . 1 . . . . . 110 C C5' . 50760 2 297 . 1 . 1 17 17 C C6 C 13 141.245 0.3 . 1 . . . . . 110 C C6 . 50760 2 298 . 1 . 1 17 17 C N3 N 15 196.318 0.3 . 1 . . . . . 110 C N3 . 50760 2 299 . 1 . 1 17 17 C P P 31 -1.382 0.3 . 1 . . . . . 110 C P . 50760 2 300 . 1 . 1 18 18 U H1' H 1 5.705 0.020 . 1 . . . . . 111 U H1' . 50760 2 301 . 1 . 1 18 18 U H2' H 1 4.171 0.020 . 1 . . . . . 111 U H2' . 50760 2 302 . 1 . 1 18 18 U H3' H 1 4.465 0.020 . 1 . . . . . 111 U H3' . 50760 2 303 . 1 . 1 18 18 U H4' H 1 4.442 0.020 . 1 . . . . . 111 U H4' . 50760 2 304 . 1 . 1 18 18 U H5 H 1 5.670 0.020 . 1 . . . . . 111 U H5 . 50760 2 305 . 1 . 1 18 18 U H5' H 1 4.485 0.020 . 2 . . . . . 111 U H5' . 50760 2 306 . 1 . 1 18 18 U H5'' H 1 4.114 0.020 . 2 . . . . . 111 U H5'' . 50760 2 307 . 1 . 1 18 18 U H6 H 1 7.739 0.020 . 1 . . . . . 111 U H6 . 50760 2 308 . 1 . 1 18 18 U C1' C 13 94.448 0.3 . 1 . . . . . 111 U C1' . 50760 2 309 . 1 . 1 18 18 U C2 C 13 154.951 0.3 . 1 . . . . . 111 U C2 . 50760 2 310 . 1 . 1 18 18 U C2' C 13 75.957 0.3 . 1 . . . . . 111 U C2' . 50760 2 311 . 1 . 1 18 18 U C3' C 13 73.245 0.3 . 1 . . . . . 111 U C3' . 50760 2 312 . 1 . 1 18 18 U C4 C 13 167.792 0.3 . 1 . . . . . 111 U C4 . 50760 2 313 . 1 . 1 18 18 U C4' C 13 82.703 0.3 . 1 . . . . . 111 U C4' . 50760 2 314 . 1 . 1 18 18 U C5 C 13 104.959 0.3 . 1 . . . . . 111 U C5 . 50760 2 315 . 1 . 1 18 18 U C5' C 13 64.745 0.3 . 1 . . . . . 111 U C5' . 50760 2 316 . 1 . 1 18 18 U C6 C 13 141.165 0.3 . 1 . . . . . 111 U C6 . 50760 2 317 . 1 . 1 18 18 U N3 N 15 157.519 0.3 . 1 . . . . . 111 U N3 . 50760 2 318 . 1 . 1 18 18 U P P 31 -1.036 0.3 . 1 . . . . . 111 U P . 50760 2 319 . 1 . 1 19 19 U H1' H 1 5.493 0.020 . 1 . . . . . 112 U H1' . 50760 2 320 . 1 . 1 19 19 U H2' H 1 4.752 0.020 . 1 . . . . . 112 U H2' . 50760 2 321 . 1 . 1 19 19 U H3' H 1 4.536 0.020 . 1 . . . . . 112 U H3' . 50760 2 322 . 1 . 1 19 19 U H4' H 1 4.440 0.020 . 1 . . . . . 112 U H4' . 50760 2 323 . 1 . 1 19 19 U H5 H 1 5.440 0.020 . 2 . . . . . 112 U H5 . 50760 2 324 . 1 . 1 19 19 U H5' H 1 4.549 0.020 . 2 . . . . . 112 U H5' . 50760 2 325 . 1 . 1 19 19 U H5'' H 1 4.131 0.020 . 2 . . . . . 112 U H5'' . 50760 2 326 . 1 . 1 19 19 U H6 H 1 7.993 0.020 . 1 . . . . . 112 U H6 . 50760 2 327 . 1 . 1 19 19 U C1' C 13 93.410 0.3 . 1 . . . . . 112 U C1' . 50760 2 328 . 1 . 1 19 19 U C2 C 13 152.857 0.3 . 1 . . . . . 112 U C2 . 50760 2 329 . 1 . 1 19 19 U C2' C 13 75.461 0.3 . 1 . . . . . 112 U C2' . 50760 2 330 . 1 . 1 19 19 U C3' C 13 72.311 0.3 . 1 . . . . . 112 U C3' . 50760 2 331 . 1 . 1 19 19 U C4 C 13 167.297 0.3 . 1 . . . . . 112 U C4 . 50760 2 332 . 1 . 1 19 19 U C4' C 13 82.431 0.3 . 1 . . . . . 112 U C4' . 50760 2 333 . 1 . 1 19 19 U C5 C 13 103.244 0.3 . 1 . . . . . 112 U C5 . 50760 2 334 . 1 . 1 19 19 U C5' C 13 64.783 0.3 . 1 . . . . . 112 U C5' . 50760 2 335 . 1 . 1 19 19 U C6 C 13 142.354 0.3 . 1 . . . . . 112 U C6 . 50760 2 336 . 1 . 1 19 19 U N3 N 15 157.135 0.3 . 1 . . . . . 112 U N3 . 50760 2 337 . 1 . 1 19 19 U P P 31 -1.995 0.3 . 1 . . . . . 112 U P . 50760 2 338 . 1 . 1 20 20 A H1' H 1 5.937 0.020 . 1 . . . . . 113 A H1' . 50760 2 339 . 1 . 1 20 20 A H2 H 1 7.347 0.020 . 1 . . . . . 113 A H2 . 50760 2 340 . 1 . 1 20 20 A H2' H 1 4.827 0.020 . 1 . . . . . 113 A H2' . 50760 2 341 . 1 . 1 20 20 A H3' H 1 4.660 0.020 . 1 . . . . . 113 A H3' . 50760 2 342 . 1 . 1 20 20 A H4' H 1 4.542 0.020 . 1 . . . . . 113 A H4' . 50760 2 343 . 1 . 1 20 20 A H5' H 1 4.457 0.020 . 2 . . . . . 113 A H5' . 50760 2 344 . 1 . 1 20 20 A H5'' H 1 4.193 0.020 . 2 . . . . . 113 A H5'' . 50760 2 345 . 1 . 1 20 20 A H8 H 1 8.072 0.020 . 1 . . . . . 113 A H8 . 50760 2 346 . 1 . 1 20 20 A C1' C 13 93.053 0.3 . 1 . . . . . 113 A C1' . 50760 2 347 . 1 . 1 20 20 A C2 C 13 153.452 0.3 . 1 . . . . . 113 A C2 . 50760 2 348 . 1 . 1 20 20 A C2' C 13 75.248 0.3 . 1 . . . . . 113 A C2' . 50760 2 349 . 1 . 1 20 20 A C3' C 13 73.376 0.3 . 1 . . . . . 113 A C3' . 50760 2 350 . 1 . 1 20 20 A C4' C 13 82.268 0.3 . 1 . . . . . 113 A C4' . 50760 2 351 . 1 . 1 20 20 A C5' C 13 65.813 0.3 . 1 . . . . . 113 A C5' . 50760 2 352 . 1 . 1 20 20 A C8 C 13 139.355 0.3 . 1 . . . . . 113 A C8 . 50760 2 353 . 1 . 1 20 20 A N1 N 15 222.555 0.3 . 1 . . . . . 113 A N1 . 50760 2 354 . 1 . 1 20 20 A N3 N 15 213.224 0.3 . 1 . . . . . 113 A N3 . 50760 2 355 . 1 . 1 20 20 A N7 N 15 230.904 0.3 . 1 . . . . . 113 A N7 . 50760 2 356 . 1 . 1 20 20 A N9 N 15 170.478 0.3 . 1 . . . . . 113 A N9 . 50760 2 357 . 1 . 1 20 20 A P P 31 -0.652 0.3 . 1 . . . . . 113 A P . 50760 2 358 . 1 . 1 21 21 G H1' H 1 5.629 0.020 . 1 . . . . . 114 G H1' . 50760 2 359 . 1 . 1 21 21 G H2' H 1 4.386 0.020 . 1 . . . . . 114 G H2' . 50760 2 360 . 1 . 1 21 21 G H3' H 1 4.473 0.020 . 1 . . . . . 114 G H3' . 50760 2 361 . 1 . 1 21 21 G H4' H 1 4.491 0.020 . 1 . . . . . 114 G H4' . 50760 2 362 . 1 . 1 21 21 G H5' H 1 4.544 0.020 . 2 . . . . . 114 G H5' . 50760 2 363 . 1 . 1 21 21 G H5'' H 1 4.121 0.020 . 2 . . . . . 114 G H5'' . 50760 2 364 . 1 . 1 21 21 G H8 H 1 7.290 0.020 . 1 . . . . . 114 G H8 . 50760 2 365 . 1 . 1 21 21 G C1' C 13 92.871 0.3 . 1 . . . . . 114 G C1' . 50760 2 366 . 1 . 1 21 21 G C2' C 13 75.334 0.3 . 1 . . . . . 114 G C2' . 50760 2 367 . 1 . 1 21 21 G C3' C 13 72.497 0.3 . 1 . . . . . 114 G C3' . 50760 2 368 . 1 . 1 21 21 G C4' C 13 81.744 0.3 . 1 . . . . . 114 G C4' . 50760 2 369 . 1 . 1 21 21 G C5' C 13 64.983 0.3 . 1 . . . . . 114 G C5' . 50760 2 370 . 1 . 1 21 21 G C8 C 13 135.997 0.3 . 1 . . . . . 114 G C8 . 50760 2 371 . 1 . 1 21 21 G N7 N 15 234.665 0.3 . 1 . . . . . 114 G N7 . 50760 2 372 . 1 . 1 21 21 G N9 N 15 169.448 0.3 . 1 . . . . . 114 G N9 . 50760 2 373 . 1 . 1 21 21 G P P 31 -1.045 0.3 . 1 . . . . . 114 G P . 50760 2 374 . 1 . 1 22 22 U H1' H 1 5.532 0.020 . 1 . . . . . 115 U H1' . 50760 2 375 . 1 . 1 22 22 U H2' H 1 4.619 0.020 . 1 . . . . . 115 U H2' . 50760 2 376 . 1 . 1 22 22 U H3' H 1 4.553 0.020 . 1 . . . . . 115 U H3' . 50760 2 377 . 1 . 1 22 22 U H4' H 1 4.459 0.020 . 1 . . . . . 115 U H4' . 50760 2 378 . 1 . 1 22 22 U H5 H 1 5.050 0.020 . 2 . . . . . 115 U H5 . 50760 2 379 . 1 . 1 22 22 U H5' H 1 4.558 0.020 . 2 . . . . . 115 U H5' . 50760 2 380 . 1 . 1 22 22 U H5'' H 1 4.095 0.020 . 2 . . . . . 115 U H5'' . 50760 2 381 . 1 . 1 22 22 U H6 H 1 7.710 0.020 . 1 . . . . . 115 U H6 . 50760 2 382 . 1 . 1 22 22 U C1' C 13 93.470 0.3 . 1 . . . . . 115 U C1' . 50760 2 383 . 1 . 1 22 22 U C2 C 13 152.564 0.3 . 1 . . . . . 115 U C2 . 50760 2 384 . 1 . 1 22 22 U C2' C 13 75.267 0.3 . 1 . . . . . 115 U C2' . 50760 2 385 . 1 . 1 22 22 U C3' C 13 72.105 0.3 . 1 . . . . . 115 U C3' . 50760 2 386 . 1 . 1 22 22 U C4 C 13 168.833 0.3 . 1 . . . . . 115 U C4 . 50760 2 387 . 1 . 1 22 22 U C4' C 13 82.081 0.3 . 1 . . . . . 115 U C4' . 50760 2 388 . 1 . 1 22 22 U C5 C 13 103.066 0.3 . 1 . . . . . 115 U C5 . 50760 2 389 . 1 . 1 22 22 U C5' C 13 64.235 0.3 . 1 . . . . . 115 U C5' . 50760 2 390 . 1 . 1 22 22 U C6 C 13 140.995 0.3 . 1 . . . . . 115 U C6 . 50760 2 391 . 1 . 1 22 22 U N3 N 15 161.207 0.3 . 1 . . . . . 115 U N3 . 50760 2 392 . 1 . 1 22 22 U P P 31 -1.532 0.3 . 1 . . . . . 115 U P . 50760 2 393 . 1 . 1 23 23 G H1' H 1 5.804 0.020 . 1 . . . . . 116 G H1' . 50760 2 394 . 1 . 1 23 23 G H2' H 1 4.550 0.020 . 1 . . . . . 116 G H2' . 50760 2 395 . 1 . 1 23 23 G H3' H 1 4.575 0.020 . 1 . . . . . 116 G H3' . 50760 2 396 . 1 . 1 23 23 G H4' H 1 4.491 0.020 . 1 . . . . . 116 G H4' . 50760 2 397 . 1 . 1 23 23 G H5' H 1 4.582 0.020 . 2 . . . . . 116 G H5' . 50760 2 398 . 1 . 1 23 23 G H5'' H 1 4.124 0.020 . 2 . . . . . 116 G H5'' . 50760 2 399 . 1 . 1 23 23 G H8 H 1 7.694 0.020 . 1 . . . . . 116 G H8 . 50760 2 400 . 1 . 1 23 23 G C1' C 13 92.892 0.3 . 1 . . . . . 116 G C1' . 50760 2 401 . 1 . 1 23 23 G C2' C 13 75.168 0.3 . 1 . . . . . 116 G C2' . 50760 2 402 . 1 . 1 23 23 G C3' C 13 72.929 0.3 . 1 . . . . . 116 G C3' . 50760 2 403 . 1 . 1 23 23 G C4' C 13 82.098 0.3 . 1 . . . . . 116 G C4' . 50760 2 404 . 1 . 1 23 23 G C5' C 13 64.420 0.3 . 1 . . . . . 116 G C5' . 50760 2 405 . 1 . 1 23 23 G C8 C 13 136.037 0.3 . 1 . . . . . 116 G C8 . 50760 2 406 . 1 . 1 23 23 G N7 N 15 234.818 0.3 . 1 . . . . . 116 G N7 . 50760 2 407 . 1 . 1 23 23 G N9 N 15 169.491 0.3 . 1 . . . . . 116 G N9 . 50760 2 408 . 1 . 1 23 23 G P P 31 -1.310 0.3 . 1 . . . . . 116 G P . 50760 2 409 . 1 . 1 24 24 C H1' H 1 5.476 0.020 . 1 . . . . . +1 C H1' . 50760 2 410 . 1 . 1 24 24 C H2' H 1 4.174 0.020 . 1 . . . . . +1 C H2' . 50760 2 411 . 1 . 1 24 24 C H3' H 1 4.426 0.020 . 1 . . . . . +1 C H3' . 50760 2 412 . 1 . 1 24 24 C H4' H 1 4.373 0.020 . 1 . . . . . +1 C H4' . 50760 2 413 . 1 . 1 24 24 C H5 H 1 5.234 0.020 . 1 . . . . . +1 C H5 . 50760 2 414 . 1 . 1 24 24 C H5' H 1 4.560 0.020 . 2 . . . . . +1 C H5' . 50760 2 415 . 1 . 1 24 24 C H5'' H 1 4.043 0.020 . 2 . . . . . +1 C H5'' . 50760 2 416 . 1 . 1 24 24 C H6 H 1 7.649 0.020 . 1 . . . . . +1 C H6 . 50760 2 417 . 1 . 1 24 24 C C1' C 13 94.331 0.3 . 1 . . . . . +1 C C1' . 50760 2 418 . 1 . 1 24 24 C C2 C 13 158.784 0.3 . 1 . . . . . +1 C C2 . 50760 2 419 . 1 . 1 24 24 C C2' C 13 75.589 0.3 . 1 . . . . . +1 C C2' . 50760 2 420 . 1 . 1 24 24 C C3' C 13 72.043 0.3 . 1 . . . . . +1 C C3' . 50760 2 421 . 1 . 1 24 24 C C4 C 13 168.192 0.3 . 1 . . . . . +1 C C4 . 50760 2 422 . 1 . 1 24 24 C C4' C 13 82.078 0.3 . 1 . . . . . +1 C C4' . 50760 2 423 . 1 . 1 24 24 C C5 C 13 97.434 0.3 . 1 . . . . . +1 C C5 . 50760 2 424 . 1 . 1 24 24 C C5' C 13 64.393 0.3 . 1 . . . . . +1 C C5' . 50760 2 425 . 1 . 1 24 24 C C6 C 13 141.120 0.3 . 1 . . . . . +1 C C6 . 50760 2 426 . 1 . 1 24 24 C N3 N 15 197.957 0.3 . 1 . . . . . +1 C N3 . 50760 2 427 . 1 . 1 24 24 C P P 31 -1.461 0.3 . 1 . . . . . +1 C P . 50760 2 428 . 1 . 1 25 25 C H1' H 1 6.093 0.020 . 1 . . . . . +2 C H1' . 50760 2 429 . 1 . 1 25 25 C H2' H 1 4.401 0.020 . 1 . . . . . +2 C H2' . 50760 2 430 . 1 . 1 25 25 C H3' H 1 4.942 0.020 . 1 . . . . . +2 C H3' . 50760 2 431 . 1 . 1 25 25 C H4' H 1 4.627 0.020 . 1 . . . . . +2 C H4' . 50760 2 432 . 1 . 1 25 25 C H5 H 1 5.530 0.020 . 1 . . . . . +2 C H5 . 50760 2 433 . 1 . 1 25 25 C H5' H 1 4.510 0.020 . 2 . . . . . +2 C H5' . 50760 2 434 . 1 . 1 25 25 C H5'' H 1 4.083 0.020 . 2 . . . . . +2 C H5'' . 50760 2 435 . 1 . 1 25 25 C H6 H 1 7.464 0.020 . 1 . . . . . +2 C H6 . 50760 2 436 . 1 . 1 25 25 C C1' C 13 91.952 0.3 . 1 . . . . . +2 C C1' . 50760 2 437 . 1 . 1 25 25 C C2' C 13 85.500 0.3 . 1 . . . . . +2 C C2' . 50760 2 438 . 1 . 1 25 25 C C3' C 13 77.838 0.3 . 1 . . . . . +2 C C3' . 50760 2 439 . 1 . 1 25 25 C C4 C 13 168.830 0.3 . 1 . . . . . +2 C C4 . 50760 2 440 . 1 . 1 25 25 C C4' C 13 85.196 0.3 . 1 . . . . . +2 C C4' . 50760 2 441 . 1 . 1 25 25 C C5 C 13 99.171 0.3 . 1 . . . . . +2 C C5 . 50760 2 442 . 1 . 1 25 25 C C5' C 13 65.606 0.3 . 1 . . . . . +2 C C5' . 50760 2 443 . 1 . 1 25 25 C C6 C 13 141.641 0.3 . 1 . . . . . +2 C C6 . 50760 2 444 . 1 . 1 25 25 C N3 N 15 196.071 0.3 . 1 . . . . . +2 C N3 . 50760 2 445 . 1 . 1 25 25 C P P 31 -1.283 0.3 . 1 . . . . . +2 C P . 50760 2 stop_ save_