data_52355 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52355 _Entry.Title ; 8-17 DNAzyme in presence of various metal ions ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-03-15 _Entry.Accession_date 2024-03-15 _Entry.Last_release_date 2024-03-15 _Entry.Original_release_date 2024-03-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Witold Andralojc . . . . 52355 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 9 52355 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 2071 52355 '31P chemical shifts' 180 52355 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2024-03-18 . original BMRB . 52355 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52355 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The 8-17 DNAzyme can operate in a single active structure regardless of the metal ion cofactor ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Witold Andralojc . . . . 52355 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52355 _Assembly.ID 1 _Assembly.Name '8-17 DNAzyme' _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 '8-17 DNAzyme' 1 $entity_1 . . yes native no no . . . 52355 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52355 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; CGCCGGGGTCGAAGACTGCC AGCGGCTCGACGGCG ; _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 35 _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 . DC . 52355 1 2 . DG . 52355 1 3 . DC . 52355 1 4 . DC . 52355 1 5 . DG . 52355 1 6 . DG . 52355 1 7 . DG . 52355 1 8 . DG . 52355 1 9 . DT . 52355 1 10 . DC . 52355 1 11 . DG . 52355 1 12 . DA . 52355 1 13 . DA . 52355 1 14 . DG . 52355 1 15 . DA . 52355 1 16 . DC . 52355 1 17 . DT . 52355 1 18 . DG . 52355 1 19 . DC . 52355 1 20 . DC . 52355 1 21 . DA . 52355 1 22 . DG . 52355 1 23 . DC . 52355 1 24 . DG . 52355 1 25 . DG . 52355 1 26 . DC . 52355 1 27 . DT . 52355 1 28 . DC . 52355 1 29 . DG . 52355 1 30 . DA . 52355 1 31 . DC . 52355 1 32 . DG . 52355 1 33 . DG . 52355 1 34 . DC . 52355 1 35 . DG . 52355 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 . DC 1 1 52355 1 . DG 2 2 52355 1 . DC 3 3 52355 1 . DC 4 4 52355 1 . DG 5 5 52355 1 . DG 6 6 52355 1 . DG 7 7 52355 1 . DG 8 8 52355 1 . DT 9 9 52355 1 . DC 10 10 52355 1 . DG 11 11 52355 1 . DA 12 12 52355 1 . DA 13 13 52355 1 . DG 14 14 52355 1 . DA 15 15 52355 1 . DC 16 16 52355 1 . DT 17 17 52355 1 . DG 18 18 52355 1 . DC 19 19 52355 1 . DC 20 20 52355 1 . DA 21 21 52355 1 . DG 22 22 52355 1 . DC 23 23 52355 1 . DG 24 24 52355 1 . DG 25 25 52355 1 . DC 26 26 52355 1 . DT 27 27 52355 1 . DC 28 28 52355 1 . DG 29 29 52355 1 . DA 30 30 52355 1 . DC 31 31 52355 1 . DG 32 32 52355 1 . DG 33 33 52355 1 . DC 34 34 52355 1 . DG 35 35 52355 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 52355 _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 . . no . . . . . . . . . . . . . . . . . . . . . . 52355 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 52355 _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 . 'chemical synthesis' . . . . . . . . . . . . . . . . 52355 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52355 _Sample.ID 1 _Sample.Name Na+ _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% 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 '8-17 DNAzyme' 'natural abundance' . . 1 $entity_1 . . 1.5 . . mM . . . . 52355 1 2 'sodium cacodylate' 'natural abundance' . . . . . . 10 . . mM . . . . 52355 1 3 NaCl 'natural abundance' . . . . . . 400 . . mM . . . . 52355 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 52355 _Sample.ID 2 _Sample.Name Zn2+ _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% 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 '8-17 DNAzyme' 'natural abundance' . . 1 $entity_1 . . 1.5 . . mM . . . . 52355 2 2 'sodium cacodylate' 'natural abundance' . . . . . . 10 . . mM . . . . 52355 2 3 ZnCl2 'natural abundance' . . . . . . 1.5 . . mM . . . . 52355 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 52355 _Sample.ID 3 _Sample.Name Mg2+ _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% 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 '8-17 DNAzyme' 'natural abundance' . . 1 $entity_1 . . 1.5 . . mM . . . . 52355 3 2 'sodium cacodylate' 'natural abundance' . . . . . . 10 . . mM . . . . 52355 3 3 MgCl2 'natural abundance' . . . . . . 7.5 . . mM . . . . 52355 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 52355 _Sample.ID 4 _Sample.Name Pb2+ _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% 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 '8-17 DNAzyme' 'natural abundance' . . 1 $entity_1 . . 1.5 . . mM . . . . 52355 4 2 'sodium cacodylate' 'natural abundance' . . . . . . 10 . . mM . . . . 52355 4 3 MgCl2 'natural abundance' . . . . . . 3.5 . . mM . . . . 52355 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 52355 _Sample.ID 5 _Sample.Name Na/Zn_1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% 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 '8-17 DNAzyme' 'natural abundance' . . 1 $entity_1 . . 1.5 . . mM . . . . 52355 5 2 'sodium cacodylate' 'natural abundance' . . . . . . 10 . . mM . . . . 52355 5 3 NaCl 'natural abundance' . . . . . . 400 . . mM . . . . 52355 5 4 ZnCl2 'natural abundance' . . . . . . 1.5 . . mM . . . . 52355 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 52355 _Sample.ID 6 _Sample.Name Na/Zn_2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% 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 '8-17 DNAzyme' 'natural abundance' . . 1 $entity_1 . . 1.5 . . mM . . . . 52355 6 2 'sodium cacodylate' 'natural abundance' . . . . . . 10 . . mM . . . . 52355 6 3 NaCl 'natural abundance' . . . . . . 400 . . mM . . . . 52355 6 4 ZnCl2 'natural abundance' . . . . . . 3.0 . . mM . . . . 52355 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 52355 _Sample.ID 7 _Sample.Name Na/Zn_3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% 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 '8-17 DNAzyme' 'natural abundance' . . 1 $entity_1 . . 1.5 . . mM . . . . 52355 7 2 'sodium cacodylate' 'natural abundance' . . . . . . 10 . . mM . . . . 52355 7 3 NaCl 'natural abundance' . . . . . . 400 . . mM . . . . 52355 7 4 ZnCl2 'natural abundance' . . . . . . 4.5 . . mM . . . . 52355 7 stop_ save_ save_sample_8 _Sample.Sf_category sample _Sample.Sf_framecode sample_8 _Sample.Entry_ID 52355 _Sample.ID 8 _Sample.Name Zn_2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% 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 '8-17 DNAzyme' 'natural abundance' . . 1 $entity_1 . . 1.5 . . mM . . . . 52355 8 2 'sodium cacodylate' 'natural abundance' . . . . . . 10 . . mM . . . . 52355 8 3 ZnCl2 'natural abundance' . . . . . . 3.0 . . mM . . . . 52355 8 stop_ save_ save_sample_9 _Sample.Sf_category sample _Sample.Sf_framecode sample_9 _Sample.Entry_ID 52355 _Sample.ID 9 _Sample.Name Zn_3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% 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 '8-17 DNAzyme' 'natural abundance' . . 1 $entity_1 . . 1.5 . . mM . . . . 52355 9 2 'sodium cacodylate' 'natural abundance' . . . . . . 10 . . mM . . . . 52355 9 3 ZnCl2 'natural abundance' . . . . . . 4.5 . . mM . . . . 52355 9 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 52355 _Sample_condition_list.ID 1 _Sample_condition_list.Name NaCl_20C _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.4 . M 52355 1 pH 6.0 . pH 52355 1 pressure 1 . atm 52355 1 temperature 293 . K 52355 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 52355 _Sample_condition_list.ID 2 _Sample_condition_list.Name 15C _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.01 . M 52355 2 pH 6.0 . pH 52355 2 pressure 1 . atm 52355 2 temperature 288 . K 52355 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52355 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52355 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52355 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 700' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 52355 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52355 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52355 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52355 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52355 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52355 1 6 '2D 1H-1H NOESY' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52355 1 7 '2D 1H-1H NOESY' no . . . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52355 1 8 '2D 1H-1H NOESY' no . . . . . . . . . . . . 8 $sample_8 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52355 1 9 '2D 1H-1H NOESY' no . . . . . . . . . . . . 9 $sample_9 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52355 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 52355 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name ref_1 _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 H 1 TSP 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 52355 1 P 31 TSP 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 52355 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 52355 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name list_1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 52355 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52355 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 DC H1' H 1 5.762 0.01 . 1 . . . . . 1 DC H1' . 52355 1 2 . 1 . 1 1 1 DC H2' H 1 1.987 0.01 . 1 . . . . . 1 DC H2' . 52355 1 3 . 1 . 1 1 1 DC H2'' H 1 2.438 0.01 . 1 . . . . . 1 DC H2'' . 52355 1 4 . 1 . 1 1 1 DC H3' H 1 4.726 0.01 . 1 . . . . . 1 DC H3' . 52355 1 5 . 1 . 1 1 1 DC H4' H 1 4.088 0.01 . 1 . . . . . 1 DC H4' . 52355 1 6 . 1 . 1 1 1 DC H5 H 1 5.925 0.01 . 1 . . . . . 1 DC H5 . 52355 1 7 . 1 . 1 1 1 DC H6 H 1 7.654 0.01 . 1 . . . . . 1 DC H6 . 52355 1 8 . 1 . 1 2 2 DG H1 H 1 13.099 0.01 . 1 . . . . . 2 DG H1 . 52355 1 9 . 1 . 1 2 2 DG H1' H 1 5.920 0.01 . 1 . . . . . 2 DG H1' . 52355 1 10 . 1 . 1 2 2 DG H2' H 1 2.728 0.01 . 1 . . . . . 2 DG H2' . 52355 1 11 . 1 . 1 2 2 DG H2'' H 1 2.745 0.01 . 1 . . . . . 2 DG H2'' . 52355 1 12 . 1 . 1 2 2 DG H3' H 1 5.007 0.01 . 1 . . . . . 2 DG H3' . 52355 1 13 . 1 . 1 2 2 DG H4' H 1 4.390 0.01 . 1 . . . . . 2 DG H4' . 52355 1 14 . 1 . 1 2 2 DG H8 H 1 8.010 0.01 . 1 . . . . . 2 DG H8 . 52355 1 15 . 1 . 1 2 2 DG P P 31 -4.064 0.05 . 1 . . . . . 2 DG P . 52355 1 16 . 1 . 1 3 3 DC H1' H 1 6.033 0.01 . 1 . . . . . 3 DC H1' . 52355 1 17 . 1 . 1 3 3 DC H2' H 1 2.136 0.01 . 1 . . . . . 3 DC H2' . 52355 1 18 . 1 . 1 3 3 DC H2'' H 1 2.468 0.01 . 1 . . . . . 3 DC H2'' . 52355 1 19 . 1 . 1 3 3 DC H3' H 1 4.877 0.01 . 1 . . . . . 3 DC H3' . 52355 1 20 . 1 . 1 3 3 DC H4' H 1 4.282 0.01 . 1 . . . . . 3 DC H4' . 52355 1 21 . 1 . 1 3 3 DC H5 H 1 5.456 0.01 . 1 . . . . . 3 DC H5 . 52355 1 22 . 1 . 1 3 3 DC H6 H 1 7.468 0.01 . 1 . . . . . 3 DC H6 . 52355 1 23 . 1 . 1 3 3 DC H41 H 1 8.202 0.01 . 1 . . . . . 3 DC H41 . 52355 1 24 . 1 . 1 3 3 DC H42 H 1 6.423 0.01 . 1 . . . . . 3 DC H42 . 52355 1 25 . 1 . 1 3 3 DC P P 31 -4.176 0.05 . 1 . . . . . 3 DC P . 52355 1 26 . 1 . 1 4 4 DC H1' H 1 5.584 0.01 . 1 . . . . . 4 DC H1' . 52355 1 27 . 1 . 1 4 4 DC H2' H 1 1.806 0.01 . 1 . . . . . 4 DC H2' . 52355 1 28 . 1 . 1 4 4 DC H2'' H 1 2.193 0.01 . 1 . . . . . 4 DC H2'' . 52355 1 29 . 1 . 1 4 4 DC H3' H 1 4.813 0.01 . 1 . . . . . 4 DC H3' . 52355 1 30 . 1 . 1 4 4 DC H4' H 1 4.090 0.01 . 1 . . . . . 4 DC H4' . 52355 1 31 . 1 . 1 4 4 DC H5 H 1 5.619 0.01 . 1 . . . . . 4 DC H5 . 52355 1 32 . 1 . 1 4 4 DC H6 H 1 7.355 0.01 . 1 . . . . . 4 DC H6 . 52355 1 33 . 1 . 1 4 4 DC H41 H 1 8.520 0.01 . 1 . . . . . 4 DC H41 . 52355 1 34 . 1 . 1 4 4 DC H42 H 1 6.901 0.01 . 1 . . . . . 4 DC H42 . 52355 1 35 . 1 . 1 4 4 DC P P 31 -4.079 0.05 . 1 . . . . . 4 DC P . 52355 1 36 . 1 . 1 5 5 DG H1 H 1 12.896 0.01 . 1 . . . . . 5 DG H1 . 52355 1 37 . 1 . 1 5 5 DG H1' H 1 5.937 0.01 . 1 . . . . . 5 DG H1' . 52355 1 38 . 1 . 1 5 5 DG H2' H 1 2.181 0.01 . 1 . . . . . 5 DG H2' . 52355 1 39 . 1 . 1 5 5 DG H2'' H 1 2.431 0.01 . 1 . . . . . 5 DG H2'' . 52355 1 40 . 1 . 1 5 5 DG H3' H 1 4.965 0.01 . 1 . . . . . 5 DG H3' . 52355 1 41 . 1 . 1 5 5 DG H8 H 1 7.474 0.01 . 1 . . . . . 5 DG H8 . 52355 1 42 . 1 . 1 5 5 DG P P 31 -4.039 0.05 . 1 . . . . . 5 DG P . 52355 1 43 . 1 . 1 6 6 DG H1' H 1 5.764 0.01 . 1 . . . . . 6 DG H1' . 52355 1 44 . 1 . 1 6 6 DG H2' H 1 3.084 0.01 . 2 . . . . . 6 DG H2' . 52355 1 45 . 1 . 1 6 6 DG H2'' H 1 3.152 0.01 . 2 . . . . . 6 DG H2'' . 52355 1 46 . 1 . 1 6 6 DG H3' H 1 5.218 0.01 . 1 . . . . . 6 DG H3' . 52355 1 47 . 1 . 1 6 6 DG H8 H 1 8.273 0.01 . 1 . . . . . 6 DG H8 . 52355 1 48 . 1 . 1 7 7 DG H1 H 1 11.214 0.01 . 1 . . . . . 7 DG H1 . 52355 1 49 . 1 . 1 7 7 DG H1' H 1 6.339 0.01 . 1 . . . . . 7 DG H1' . 52355 1 50 . 1 . 1 7 7 DG H2' H 1 3.223 0.01 . 2 . . . . . 7 DG H2' . 52355 1 51 . 1 . 1 7 7 DG H2'' H 1 2.966 0.01 . 2 . . . . . 7 DG H2'' . 52355 1 52 . 1 . 1 7 7 DG H3' H 1 4.885 0.01 . 1 . . . . . 7 DG H3' . 52355 1 53 . 1 . 1 7 7 DG H4' H 1 4.494 0.01 . 1 . . . . . 7 DG H4' . 52355 1 54 . 1 . 1 7 7 DG H5' H 1 4.529 0.01 . 2 . . . . . 7 DG H5' . 52355 1 55 . 1 . 1 7 7 DG H5'' H 1 4.342 0.01 . 2 . . . . . 7 DG H5'' . 52355 1 56 . 1 . 1 7 7 DG H8 H 1 8.212 0.01 . 1 . . . . . 7 DG H8 . 52355 1 57 . 1 . 1 7 7 DG P P 31 -3.809 0.05 . 1 . . . . . 7 DG P . 52355 1 58 . 1 . 1 8 8 DG H1 H 1 12.605 0.01 . 1 . . . . . 8 DG H1 . 52355 1 59 . 1 . 1 8 8 DG H1' H 1 6.041 0.01 . 1 . . . . . 8 DG H1' . 52355 1 60 . 1 . 1 8 8 DG H2' H 1 2.532 0.01 . 2 . . . . . 8 DG H2' . 52355 1 61 . 1 . 1 8 8 DG H2'' H 1 2.807 0.01 . 2 . . . . . 8 DG H2'' . 52355 1 62 . 1 . 1 8 8 DG H3' H 1 4.876 0.01 . 1 . . . . . 8 DG H3' . 52355 1 63 . 1 . 1 8 8 DG H8 H 1 7.616 0.01 . 1 . . . . . 8 DG H8 . 52355 1 64 . 1 . 1 8 8 DG P P 31 -3.872 0.05 . 1 . . . . . 8 DG P . 52355 1 65 . 1 . 1 9 9 DT H1' H 1 6.100 0.01 . 1 . . . . . 9 DT H1' . 52355 1 66 . 1 . 1 9 9 DT H2' H 1 1.888 0.01 . 2 . . . . . 9 DT H2' . 52355 1 67 . 1 . 1 9 9 DT H2'' H 1 2.435 0.01 . 2 . . . . . 9 DT H2'' . 52355 1 68 . 1 . 1 9 9 DT H3 H 1 13.862 0.01 . 1 . . . . . 9 DT H3 . 52355 1 69 . 1 . 1 9 9 DT H3' H 1 4.794 0.01 . 1 . . . . . 9 DT H3' . 52355 1 70 . 1 . 1 9 9 DT H6 H 1 7.462 0.01 . 1 . . . . . 9 DT H6 . 52355 1 71 . 1 . 1 9 9 DT H71 H 1 1.297 0.01 . 3 . . . . . 9 DT H71 . 52355 1 72 . 1 . 1 9 9 DT H72 H 1 1.297 0.01 . 3 . . . . . 9 DT H72 . 52355 1 73 . 1 . 1 9 9 DT H73 H 1 1.297 0.01 . 3 . . . . . 9 DT H73 . 52355 1 74 . 1 . 1 9 9 DT P P 31 -4.493 0.05 . 1 . . . . . 9 DT P . 52355 1 75 . 1 . 1 10 10 DC H1' H 1 6.018 0.01 . 1 . . . . . 10 DC H1' . 52355 1 76 . 1 . 1 10 10 DC H2' H 1 1.737 0.01 . 1 . . . . . 10 DC H2' . 52355 1 77 . 1 . 1 10 10 DC H2'' H 1 2.242 0.01 . 1 . . . . . 10 DC H2'' . 52355 1 78 . 1 . 1 10 10 DC H3' H 1 4.840 0.01 . 1 . . . . . 10 DC H3' . 52355 1 79 . 1 . 1 10 10 DC H5 H 1 5.445 0.01 . 1 . . . . . 10 DC H5 . 52355 1 80 . 1 . 1 10 10 DC H6 H 1 7.218 0.01 . 1 . . . . . 10 DC H6 . 52355 1 81 . 1 . 1 10 10 DC H41 H 1 8.497 0.01 . 1 . . . . . 10 DC H41 . 52355 1 82 . 1 . 1 10 10 DC H42 H 1 7.119 0.01 . 1 . . . . . 10 DC H42 . 52355 1 83 . 1 . 1 10 10 DC P P 31 -4.463 0.05 . 1 . . . . . 10 DC P . 52355 1 84 . 1 . 1 11 11 DG H1' H 1 5.337 0.01 . 1 . . . . . 11 DG H1' . 52355 1 85 . 1 . 1 11 11 DG H2' H 1 2.703 0.01 . 1 . . . . . 11 DG H2' . 52355 1 86 . 1 . 1 11 11 DG H2'' H 1 2.558 0.01 . 1 . . . . . 11 DG H2'' . 52355 1 87 . 1 . 1 11 11 DG H3' H 1 4.917 0.01 . 1 . . . . . 11 DG H3' . 52355 1 88 . 1 . 1 11 11 DG H8 H 1 8.122 0.01 . 1 . . . . . 11 DG H8 . 52355 1 89 . 1 . 1 12 12 DA H1' H 1 5.975 0.01 . 1 . . . . . 12 DA H1' . 52355 1 90 . 1 . 1 12 12 DA H2' H 1 2.263 0.01 . 1 . . . . . 12 DA H2' . 52355 1 91 . 1 . 1 12 12 DA H2'' H 1 2.317 0.01 . 1 . . . . . 12 DA H2'' . 52355 1 92 . 1 . 1 12 12 DA H3' H 1 4.574 0.01 . 1 . . . . . 12 DA H3' . 52355 1 93 . 1 . 1 12 12 DA H5' H 1 3.375 0.01 . 2 . . . . . 12 DA H5' . 52355 1 94 . 1 . 1 12 12 DA H5'' H 1 3.069 0.01 . 2 . . . . . 12 DA H5'' . 52355 1 95 . 1 . 1 12 12 DA H8 H 1 8.127 0.01 . 1 . . . . . 12 DA H8 . 52355 1 96 . 1 . 1 13 13 DA H1' H 1 6.233 0.01 . 1 . . . . . 13 DA H1' . 52355 1 97 . 1 . 1 13 13 DA H2 H 1 8.060 0.01 . 1 . . . . . 13 DA H2 . 52355 1 98 . 1 . 1 13 13 DA H2' H 1 2.834 0.01 . 2 . . . . . 13 DA H2' . 52355 1 99 . 1 . 1 13 13 DA H2'' H 1 2.834 0.01 . 2 . . . . . 13 DA H2'' . 52355 1 100 . 1 . 1 13 13 DA H3' H 1 4.839 0.01 . 1 . . . . . 13 DA H3' . 52355 1 101 . 1 . 1 13 13 DA H8 H 1 7.976 0.01 . 1 . . . . . 13 DA H8 . 52355 1 102 . 1 . 1 13 13 DA P P 31 -4.641 0.05 . 1 . . . . . 13 DA P . 52355 1 103 . 1 . 1 14 14 DG H1 H 1 12.963 0.01 . 1 . . . . . 14 DG H1 . 52355 1 104 . 1 . 1 14 14 DG H1' H 1 5.007 0.01 . 1 . . . . . 14 DG H1' . 52355 1 105 . 1 . 1 14 14 DG H2' H 1 2.635 0.01 . 1 . . . . . 14 DG H2' . 52355 1 106 . 1 . 1 14 14 DG H2'' H 1 2.537 0.01 . 1 . . . . . 14 DG H2'' . 52355 1 107 . 1 . 1 14 14 DG H3' H 1 4.901 0.01 . 1 . . . . . 14 DG H3' . 52355 1 108 . 1 . 1 14 14 DG H8 H 1 8.054 0.01 . 1 . . . . . 14 DG H8 . 52355 1 109 . 1 . 1 15 15 DA H1' H 1 6.263 0.01 . 1 . . . . . 15 DA H1' . 52355 1 110 . 1 . 1 15 15 DA H2 H 1 8.055 0.01 . 1 . . . . . 15 DA H2 . 52355 1 111 . 1 . 1 15 15 DA H2' H 1 2.581 0.01 . 1 . . . . . 15 DA H2' . 52355 1 112 . 1 . 1 15 15 DA H2'' H 1 2.797 0.01 . 1 . . . . . 15 DA H2'' . 52355 1 113 . 1 . 1 15 15 DA H3' H 1 5.029 0.01 . 1 . . . . . 15 DA H3' . 52355 1 114 . 1 . 1 15 15 DA H8 H 1 8.177 0.01 . 1 . . . . . 15 DA H8 . 52355 1 115 . 1 . 1 15 15 DA P P 31 -3.480 0.05 . 1 . . . . . 15 DA P . 52355 1 116 . 1 . 1 16 16 DC H1' H 1 5.885 0.01 . 1 . . . . . 16 DC H1' . 52355 1 117 . 1 . 1 16 16 DC H2' H 1 1.940 0.01 . 1 . . . . . 16 DC H2' . 52355 1 118 . 1 . 1 16 16 DC H2'' H 1 2.310 0.01 . 1 . . . . . 16 DC H2'' . 52355 1 119 . 1 . 1 16 16 DC H3' H 1 4.801 0.01 . 1 . . . . . 16 DC H3' . 52355 1 120 . 1 . 1 16 16 DC H5 H 1 5.037 0.01 . 1 . . . . . 16 DC H5 . 52355 1 121 . 1 . 1 16 16 DC H6 H 1 7.213 0.01 . 1 . . . . . 16 DC H6 . 52355 1 122 . 1 . 1 16 16 DC H41 H 1 8.135 0.01 . 1 . . . . . 16 DC H41 . 52355 1 123 . 1 . 1 16 16 DC H42 H 1 6.614 0.01 . 1 . . . . . 16 DC H42 . 52355 1 124 . 1 . 1 16 16 DC P P 31 -4.296 0.05 . 1 . . . . . 16 DC P . 52355 1 125 . 1 . 1 17 17 DT H1' H 1 5.454 0.01 . 1 . . . . . 17 DT H1' . 52355 1 126 . 1 . 1 17 17 DT H2' H 1 0.536 0.01 . 1 . . . . . 17 DT H2' . 52355 1 127 . 1 . 1 17 17 DT H2'' H 1 1.720 0.01 . 1 . . . . . 17 DT H2'' . 52355 1 128 . 1 . 1 17 17 DT H3 H 1 11.134 0.01 . 1 . . . . . 17 DT H3 . 52355 1 129 . 1 . 1 17 17 DT H3' H 1 4.390 0.01 . 1 . . . . . 17 DT H3' . 52355 1 130 . 1 . 1 17 17 DT H4' H 1 4.165 0.01 . 1 . . . . . 17 DT H4' . 52355 1 131 . 1 . 1 17 17 DT H5' H 1 4.116 0.01 . 2 . . . . . 17 DT H5' . 52355 1 132 . 1 . 1 17 17 DT H5'' H 1 3.697 0.01 . 2 . . . . . 17 DT H5'' . 52355 1 133 . 1 . 1 17 17 DT H6 H 1 6.953 0.01 . 1 . . . . . 17 DT H6 . 52355 1 134 . 1 . 1 17 17 DT H71 H 1 1.319 0.01 . 3 . . . . . 17 DT H71 . 52355 1 135 . 1 . 1 17 17 DT H72 H 1 1.319 0.01 . 3 . . . . . 17 DT H72 . 52355 1 136 . 1 . 1 17 17 DT H73 H 1 1.319 0.01 . 3 . . . . . 17 DT H73 . 52355 1 137 . 1 . 1 17 17 DT P P 31 -4.889 0.05 . 1 . . . . . 17 DT P . 52355 1 138 . 1 . 1 18 18 DG H1 H 1 12.812 0.01 . 1 . . . . . 18 DG H1 . 52355 1 139 . 1 . 1 18 18 DG H1' H 1 5.418 0.01 . 1 . . . . . 18 DG H1' . 52355 1 140 . 1 . 1 18 18 DG H2' H 1 2.812 0.01 . 1 . . . . . 18 DG H2' . 52355 1 141 . 1 . 1 18 18 DG H2'' H 1 2.516 0.01 . 1 . . . . . 18 DG H2'' . 52355 1 142 . 1 . 1 18 18 DG H3' H 1 4.957 0.01 . 1 . . . . . 18 DG H3' . 52355 1 143 . 1 . 1 18 18 DG H8 H 1 7.958 0.01 . 1 . . . . . 18 DG H8 . 52355 1 144 . 1 . 1 18 18 DG P P 31 -4.394 0.05 . 1 . . . . . 18 DG P . 52355 1 145 . 1 . 1 19 19 DC H1' H 1 6.088 0.01 . 1 . . . . . 19 DC H1' . 52355 1 146 . 1 . 1 19 19 DC H2' H 1 1.955 0.01 . 1 . . . . . 19 DC H2' . 52355 1 147 . 1 . 1 19 19 DC H2'' H 1 2.305 0.01 . 1 . . . . . 19 DC H2'' . 52355 1 148 . 1 . 1 19 19 DC H3' H 1 4.870 0.01 . 1 . . . . . 19 DC H3' . 52355 1 149 . 1 . 1 19 19 DC H4' H 1 4.383 0.01 . 1 . . . . . 19 DC H4' . 52355 1 150 . 1 . 1 19 19 DC H5 H 1 5.792 0.01 . 1 . . . . . 19 DC H5 . 52355 1 151 . 1 . 1 19 19 DC H6 H 1 7.543 0.01 . 1 . . . . . 19 DC H6 . 52355 1 152 . 1 . 1 19 19 DC H41 H 1 7.808 0.01 . 1 . . . . . 19 DC H41 . 52355 1 153 . 1 . 1 19 19 DC H42 H 1 6.608 0.01 . 1 . . . . . 19 DC H42 . 52355 1 154 . 1 . 1 19 19 DC P P 31 -2.956 0.05 . 1 . . . . . 19 DC P . 52355 1 155 . 1 . 1 20 20 DC H1' H 1 6.411 0.01 . 1 . . . . . 20 DC H1' . 52355 1 156 . 1 . 1 20 20 DC H2' H 1 2.776 0.01 . 2 . . . . . 20 DC H2' . 52355 1 157 . 1 . 1 20 20 DC H2'' H 1 2.758 0.01 . 2 . . . . . 20 DC H2'' . 52355 1 158 . 1 . 1 20 20 DC H3' H 1 5.127 0.01 . 1 . . . . . 20 DC H3' . 52355 1 159 . 1 . 1 20 20 DC H5 H 1 5.839 0.01 . 1 . . . . . 20 DC H5 . 52355 1 160 . 1 . 1 20 20 DC H5'' H 1 4.075 0.01 . 2 . . . . . 20 DC H5'' . 52355 1 161 . 1 . 1 20 20 DC H6 H 1 7.832 0.01 . 1 . . . . . 20 DC H6 . 52355 1 162 . 1 . 1 20 20 DC H41 H 1 8.924 0.01 . 1 . . . . . 20 DC H41 . 52355 1 163 . 1 . 1 20 20 DC H42 H 1 6.952 0.01 . 1 . . . . . 20 DC H42 . 52355 1 164 . 1 . 1 21 21 DA H1' H 1 6.299 0.01 . 1 . . . . . 21 DA H1' . 52355 1 165 . 1 . 1 21 21 DA H2 H 1 8.150 0.01 . 1 . . . . . 21 DA H2 . 52355 1 166 . 1 . 1 21 21 DA H2' H 1 2.126 0.01 . 1 . . . . . 21 DA H2' . 52355 1 167 . 1 . 1 21 21 DA H2'' H 1 2.802 0.01 . 1 . . . . . 21 DA H2'' . 52355 1 168 . 1 . 1 21 21 DA H3' H 1 5.194 0.01 . 1 . . . . . 21 DA H3' . 52355 1 169 . 1 . 1 21 21 DA H4' H 1 4.352 0.01 . 1 . . . . . 21 DA H4' . 52355 1 170 . 1 . 1 21 21 DA H5' H 1 4.437 0.01 . 2 . . . . . 21 DA H5' . 52355 1 171 . 1 . 1 21 21 DA H5'' H 1 4.204 0.01 . 2 . . . . . 21 DA H5'' . 52355 1 172 . 1 . 1 21 21 DA H8 H 1 7.893 0.01 . 1 . . . . . 21 DA H8 . 52355 1 173 . 1 . 1 22 22 DG H1 H 1 13.138 0.01 . 1 . . . . . 22 DG H1 . 52355 1 174 . 1 . 1 22 22 DG H1' H 1 5.931 0.01 . 1 . . . . . 22 DG H1' . 52355 1 175 . 1 . 1 22 22 DG H2' H 1 2.490 0.01 . 2 . . . . . 22 DG H2' . 52355 1 176 . 1 . 1 22 22 DG H2'' H 1 2.516 0.01 . 2 . . . . . 22 DG H2'' . 52355 1 177 . 1 . 1 22 22 DG H3' H 1 4.690 0.01 . 1 . . . . . 22 DG H3' . 52355 1 178 . 1 . 1 22 22 DG H8 H 1 7.967 0.01 . 1 . . . . . 22 DG H8 . 52355 1 179 . 1 . 1 23 23 DC H1' H 1 5.455 0.01 . 1 . . . . . 23 DC H1' . 52355 1 180 . 1 . 1 23 23 DC H2' H 1 1.782 0.01 . 1 . . . . . 23 DC H2' . 52355 1 181 . 1 . 1 23 23 DC H2'' H 1 2.299 0.01 . 1 . . . . . 23 DC H2'' . 52355 1 182 . 1 . 1 23 23 DC H3' H 1 4.460 0.01 . 1 . . . . . 23 DC H3' . 52355 1 183 . 1 . 1 23 23 DC H5 H 1 6.154 0.01 . 1 . . . . . 23 DC H5 . 52355 1 184 . 1 . 1 23 23 DC H6 H 1 7.584 0.01 . 1 . . . . . 23 DC H6 . 52355 1 185 . 1 . 1 23 23 DC H41 H 1 8.438 0.01 . 1 . . . . . 23 DC H41 . 52355 1 186 . 1 . 1 23 23 DC P P 31 -3.525 0.05 . 1 . . . . . 23 DC P . 52355 1 187 . 1 . 1 24 24 DG H1 H 1 13.137 0.01 . 1 . . . . . 24 DG H1 . 52355 1 188 . 1 . 1 24 24 DG H1' H 1 5.651 0.01 . 1 . . . . . 24 DG H1' . 52355 1 189 . 1 . 1 24 24 DG H2' H 1 2.593 0.01 . 1 . . . . . 24 DG H2' . 52355 1 190 . 1 . 1 24 24 DG H2'' H 1 2.804 0.01 . 1 . . . . . 24 DG H2'' . 52355 1 191 . 1 . 1 24 24 DG H3' H 1 4.731 0.01 . 1 . . . . . 24 DG H3' . 52355 1 192 . 1 . 1 24 24 DG H8 H 1 7.676 0.01 . 1 . . . . . 24 DG H8 . 52355 1 193 . 1 . 1 24 24 DG P P 31 -3.830 0.05 . 1 . . . . . 24 DG P . 52355 1 194 . 1 . 1 25 25 DG H1 H 1 12.587 0.01 . 1 . . . . . 25 DG H1 . 52355 1 195 . 1 . 1 25 25 DG H1' H 1 5.307 0.01 . 1 . . . . . 25 DG H1' . 52355 1 196 . 1 . 1 25 25 DG H2' H 1 2.447 0.01 . 1 . . . . . 25 DG H2' . 52355 1 197 . 1 . 1 25 25 DG H2'' H 1 2.348 0.01 . 1 . . . . . 25 DG H2'' . 52355 1 198 . 1 . 1 25 25 DG H3' H 1 4.798 0.01 . 1 . . . . . 25 DG H3' . 52355 1 199 . 1 . 1 25 25 DG H8 H 1 7.738 0.01 . 1 . . . . . 25 DG H8 . 52355 1 200 . 1 . 1 26 26 DC H1' H 1 6.050 0.01 . 1 . . . . . 26 DC H1' . 52355 1 201 . 1 . 1 26 26 DC H2' H 1 2.276 0.01 . 2 . . . . . 26 DC H2' . 52355 1 202 . 1 . 1 26 26 DC H2'' H 1 2.403 0.01 . 2 . . . . . 26 DC H2'' . 52355 1 203 . 1 . 1 26 26 DC H3' H 1 4.737 0.01 . 1 . . . . . 26 DC H3' . 52355 1 204 . 1 . 1 26 26 DC H5 H 1 5.602 0.01 . 1 . . . . . 26 DC H5 . 52355 1 205 . 1 . 1 26 26 DC H6 H 1 7.376 0.01 . 1 . . . . . 26 DC H6 . 52355 1 206 . 1 . 1 26 26 DC H41 H 1 8.125 0.01 . 1 . . . . . 26 DC H41 . 52355 1 207 . 1 . 1 26 26 DC H42 H 1 6.707 0.01 . 1 . . . . . 26 DC H42 . 52355 1 208 . 1 . 1 27 27 DT H1' H 1 6.022 0.01 . 1 . . . . . 27 DT H1' . 52355 1 209 . 1 . 1 27 27 DT H2' H 1 1.852 0.01 . 1 . . . . . 27 DT H2' . 52355 1 210 . 1 . 1 27 27 DT H2'' H 1 2.318 0.01 . 1 . . . . . 27 DT H2'' . 52355 1 211 . 1 . 1 27 27 DT H3' H 1 4.624 0.01 . 1 . . . . . 27 DT H3' . 52355 1 212 . 1 . 1 27 27 DT H6 H 1 7.264 0.01 . 1 . . . . . 27 DT H6 . 52355 1 213 . 1 . 1 27 27 DT H71 H 1 1.643 0.01 . 3 . . . . . 27 DT H71 . 52355 1 214 . 1 . 1 27 27 DT H72 H 1 1.643 0.01 . 3 . . . . . 27 DT H72 . 52355 1 215 . 1 . 1 27 27 DT H73 H 1 1.643 0.01 . 3 . . . . . 27 DT H73 . 52355 1 216 . 1 . 1 27 27 DT P P 31 -4.593 0.05 . 1 . . . . . 27 DT P . 52355 1 217 . 1 . 1 28 28 DC H1' H 1 5.972 0.01 . 1 . . . . . 28 DC H1' . 52355 1 218 . 1 . 1 28 28 DC H2' H 1 2.110 0.01 . 2 . . . . . 28 DC H2' . 52355 1 219 . 1 . 1 28 28 DC H3' H 1 4.865 0.01 . 1 . . . . . 28 DC H3' . 52355 1 220 . 1 . 1 28 28 DC H5 H 1 5.526 0.01 . 1 . . . . . 28 DC H5 . 52355 1 221 . 1 . 1 28 28 DC H6 H 1 7.311 0.01 . 1 . . . . . 28 DC H6 . 52355 1 222 . 1 . 1 28 28 DC H41 H 1 8.741 0.01 . 1 . . . . . 28 DC H41 . 52355 1 223 . 1 . 1 28 28 DC H42 H 1 7.317 0.01 . 1 . . . . . 28 DC H42 . 52355 1 224 . 1 . 1 28 28 DC P P 31 -4.635 0.05 . 1 . . . . . 28 DC P . 52355 1 225 . 1 . 1 29 29 DG H3' H 1 4.989 0.01 . 1 . . . . . 29 DG H3' . 52355 1 226 . 1 . 1 29 29 DG H8 H 1 8.112 0.01 . 1 . . . . . 29 DG H8 . 52355 1 227 . 1 . 1 30 30 DA H1' H 1 5.134 0.01 . 1 . . . . . 30 DA H1' . 52355 1 228 . 1 . 1 30 30 DA H2 H 1 8.379 0.01 . 1 . . . . . 30 DA H2 . 52355 1 229 . 1 . 1 30 30 DA H2' H 1 1.446 0.01 . 2 . . . . . 30 DA H2' . 52355 1 230 . 1 . 1 30 30 DA H2'' H 1 2.324 0.01 . 2 . . . . . 30 DA H2'' . 52355 1 231 . 1 . 1 30 30 DA H3' H 1 4.655 0.01 . 1 . . . . . 30 DA H3' . 52355 1 232 . 1 . 1 30 30 DA H4' H 1 3.282 0.01 . 1 . . . . . 30 DA H4' . 52355 1 233 . 1 . 1 30 30 DA H5' H 1 3.931 0.01 . 2 . . . . . 30 DA H5' . 52355 1 234 . 1 . 1 30 30 DA H5'' H 1 3.654 0.01 . 2 . . . . . 30 DA H5'' . 52355 1 235 . 1 . 1 30 30 DA H8 H 1 8.073 0.01 . 1 . . . . . 30 DA H8 . 52355 1 236 . 1 . 1 30 30 DA P P 31 -2.594 0.05 . 1 . . . . . 30 DA P . 52355 1 237 . 1 . 1 31 31 DC H1' H 1 4.916 0.01 . 1 . . . . . 31 DC H1' . 52355 1 238 . 1 . 1 31 31 DC H2' H 1 2.164 0.01 . 1 . . . . . 31 DC H2' . 52355 1 239 . 1 . 1 31 31 DC H2'' H 1 2.289 0.01 . 1 . . . . . 31 DC H2'' . 52355 1 240 . 1 . 1 31 31 DC H3' H 1 4.787 0.01 . 1 . . . . . 31 DC H3' . 52355 1 241 . 1 . 1 31 31 DC H4' H 1 3.975 0.01 . 1 . . . . . 31 DC H4' . 52355 1 242 . 1 . 1 31 31 DC H5 H 1 5.702 0.01 . 1 . . . . . 31 DC H5 . 52355 1 243 . 1 . 1 31 31 DC H6 H 1 7.408 0.01 . 1 . . . . . 31 DC H6 . 52355 1 244 . 1 . 1 31 31 DC H41 H 1 8.479 0.01 . 1 . . . . . 31 DC H41 . 52355 1 245 . 1 . 1 31 31 DC H42 H 1 7.007 0.01 . 1 . . . . . 31 DC H42 . 52355 1 246 . 1 . 1 31 31 DC P P 31 -4.733 0.05 . 1 . . . . . 31 DC P . 52355 1 247 . 1 . 1 32 32 DG H1 H 1 13.188 0.01 . 1 . . . . . 32 DG H1 . 52355 1 248 . 1 . 1 32 32 DG H1' H 1 5.672 0.01 . 1 . . . . . 32 DG H1' . 52355 1 249 . 1 . 1 32 32 DG H2' H 1 2.713 0.01 . 1 . . . . . 32 DG H2' . 52355 1 250 . 1 . 1 32 32 DG H2'' H 1 2.804 0.01 . 1 . . . . . 32 DG H2'' . 52355 1 251 . 1 . 1 32 32 DG H3' H 1 5.032 0.01 . 1 . . . . . 32 DG H3' . 52355 1 252 . 1 . 1 32 32 DG H8 H 1 7.829 0.01 . 1 . . . . . 32 DG H8 . 52355 1 253 . 1 . 1 32 32 DG P P 31 -3.440 0.05 . 1 . . . . . 32 DG P . 52355 1 254 . 1 . 1 33 33 DG H1 H 1 13.016 0.01 . 1 . . . . . 33 DG H1 . 52355 1 255 . 1 . 1 33 33 DG H1' H 1 5.886 0.01 . 1 . . . . . 33 DG H1' . 52355 1 256 . 1 . 1 33 33 DG H2' H 1 2.591 0.01 . 1 . . . . . 33 DG H2' . 52355 1 257 . 1 . 1 33 33 DG H2'' H 1 2.720 0.01 . 1 . . . . . 33 DG H2'' . 52355 1 258 . 1 . 1 33 33 DG H3' H 1 5.017 0.01 . 1 . . . . . 33 DG H3' . 52355 1 259 . 1 . 1 33 33 DG H4' H 1 4.427 0.01 . 1 . . . . . 33 DG H4' . 52355 1 260 . 1 . 1 33 33 DG H8 H 1 7.803 0.01 . 1 . . . . . 33 DG H8 . 52355 1 261 . 1 . 1 33 33 DG P P 31 -4.175 0.05 . 1 . . . . . 33 DG P . 52355 1 262 . 1 . 1 34 34 DC H1' H 1 5.743 0.01 . 1 . . . . . 34 DC H1' . 52355 1 263 . 1 . 1 34 34 DC H2' H 1 1.916 0.01 . 1 . . . . . 34 DC H2' . 52355 1 264 . 1 . 1 34 34 DC H2'' H 1 2.349 0.01 . 1 . . . . . 34 DC H2'' . 52355 1 265 . 1 . 1 34 34 DC H3' H 1 4.831 0.01 . 1 . . . . . 34 DC H3' . 52355 1 266 . 1 . 1 34 34 DC H5 H 1 5.443 0.01 . 1 . . . . . 34 DC H5 . 52355 1 267 . 1 . 1 34 34 DC H6 H 1 7.321 0.01 . 1 . . . . . 34 DC H6 . 52355 1 268 . 1 . 1 34 34 DC H41 H 1 8.455 0.01 . 1 . . . . . 34 DC H41 . 52355 1 269 . 1 . 1 34 34 DC H42 H 1 6.628 0.01 . 1 . . . . . 34 DC H42 . 52355 1 270 . 1 . 1 34 34 DC P P 31 -4.072 0.05 . 1 . . . . . 34 DC P . 52355 1 271 . 1 . 1 35 35 DG H1' H 1 6.173 0.01 . 1 . . . . . 35 DG H1' . 52355 1 272 . 1 . 1 35 35 DG H2' H 1 2.628 0.01 . 1 . . . . . 35 DG H2' . 52355 1 273 . 1 . 1 35 35 DG H2'' H 1 2.389 0.01 . 1 . . . . . 35 DG H2'' . 52355 1 274 . 1 . 1 35 35 DG H3' H 1 4.698 0.01 . 1 . . . . . 35 DG H3' . 52355 1 275 . 1 . 1 35 35 DG H8 H 1 7.947 0.01 . 1 . . . . . 35 DG H8 . 52355 1 276 . 1 . 1 35 35 DG P P 31 -3.919 0.05 . 1 . . . . . 35 DG P . 52355 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 52355 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name list_2 _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 2 '2D 1H-1H NOESY' . . . 52355 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 1 $software_1 . . 52355 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 DC H1' H 1 5.794 0.01 . 1 . . . . . 1 DC H1' . 52355 2 2 . 1 . 1 1 1 DC H2' H 1 2.023 0.01 . 1 . . . . . 1 DC H2' . 52355 2 3 . 1 . 1 1 1 DC H2'' H 1 2.465 0.01 . 1 . . . . . 1 DC H2'' . 52355 2 4 . 1 . 1 1 1 DC H3' H 1 4.746 0.01 . 1 . . . . . 1 DC H3' . 52355 2 5 . 1 . 1 1 1 DC H5 H 1 5.963 0.01 . 1 . . . . . 1 DC H5 . 52355 2 6 . 1 . 1 1 1 DC H6 H 1 7.679 0.01 . 1 . . . . . 1 DC H6 . 52355 2 7 . 1 . 1 2 2 DG H1 H 1 13.125 0.01 . 1 . . . . . 2 DG H1 . 52355 2 8 . 1 . 1 2 2 DG H1' H 1 5.932 0.01 . 1 . . . . . 2 DG H1' . 52355 2 9 . 1 . 1 2 2 DG H2' H 1 2.737 0.01 . 1 . . . . . 2 DG H2' . 52355 2 10 . 1 . 1 2 2 DG H2'' H 1 2.759 0.01 . 1 . . . . . 2 DG H2'' . 52355 2 11 . 1 . 1 2 2 DG H3' H 1 5.015 0.01 . 1 . . . . . 2 DG H3' . 52355 2 12 . 1 . 1 2 2 DG H8 H 1 8.024 0.01 . 1 . . . . . 2 DG H8 . 52355 2 13 . 1 . 1 2 2 DG P P 31 -3.990 0.05 . 1 . . . . . 2 DG P . 52355 2 14 . 1 . 1 3 3 DC H1' H 1 6.054 0.01 . 1 . . . . . 3 DC H1' . 52355 2 15 . 1 . 1 3 3 DC H2' H 1 2.145 0.01 . 1 . . . . . 3 DC H2' . 52355 2 16 . 1 . 1 3 3 DC H2'' H 1 2.496 0.01 . 1 . . . . . 3 DC H2'' . 52355 2 17 . 1 . 1 3 3 DC H3' H 1 4.894 0.01 . 1 . . . . . 3 DC H3' . 52355 2 18 . 1 . 1 3 3 DC H5 H 1 5.456 0.01 . 1 . . . . . 3 DC H5 . 52355 2 19 . 1 . 1 3 3 DC H6 H 1 7.478 0.01 . 1 . . . . . 3 DC H6 . 52355 2 20 . 1 . 1 3 3 DC H41 H 1 8.247 0.01 . 1 . . . . . 3 DC H41 . 52355 2 21 . 1 . 1 3 3 DC H42 H 1 6.451 0.01 . 1 . . . . . 3 DC H42 . 52355 2 22 . 1 . 1 3 3 DC P P 31 -4.074 0.05 . 1 . . . . . 3 DC P . 52355 2 23 . 1 . 1 4 4 DC H1' H 1 5.604 0.01 . 1 . . . . . 4 DC H1' . 52355 2 24 . 1 . 1 4 4 DC H2' H 1 1.808 0.01 . 1 . . . . . 4 DC H2' . 52355 2 25 . 1 . 1 4 4 DC H2'' H 1 2.205 0.01 . 1 . . . . . 4 DC H2'' . 52355 2 26 . 1 . 1 4 4 DC H3' H 1 4.824 0.01 . 1 . . . . . 4 DC H3' . 52355 2 27 . 1 . 1 4 4 DC H5 H 1 5.616 0.01 . 1 . . . . . 4 DC H5 . 52355 2 28 . 1 . 1 4 4 DC H6 H 1 7.359 0.01 . 1 . . . . . 4 DC H6 . 52355 2 29 . 1 . 1 4 4 DC H41 H 1 8.520 0.01 . 1 . . . . . 4 DC H41 . 52355 2 30 . 1 . 1 4 4 DC H42 H 1 6.938 0.01 . 1 . . . . . 4 DC H42 . 52355 2 31 . 1 . 1 5 5 DG H1 H 1 12.911 0.01 . 1 . . . . . 5 DG H1 . 52355 2 32 . 1 . 1 5 5 DG H1' H 1 5.949 0.01 . 1 . . . . . 5 DG H1' . 52355 2 33 . 1 . 1 5 5 DG H2' H 1 2.192 0.01 . 1 . . . . . 5 DG H2' . 52355 2 34 . 1 . 1 5 5 DG H2'' H 1 2.438 0.01 . 1 . . . . . 5 DG H2'' . 52355 2 35 . 1 . 1 5 5 DG H3' H 1 4.974 0.01 . 1 . . . . . 5 DG H3' . 52355 2 36 . 1 . 1 6 6 DG H1' H 1 5.758 0.01 . 1 . . . . . 6 DG H1' . 52355 2 37 . 1 . 1 6 6 DG H2' H 1 3.105 0.01 . 2 . . . . . 6 DG H2' . 52355 2 38 . 1 . 1 6 6 DG H2'' H 1 3.184 0.01 . 2 . . . . . 6 DG H2'' . 52355 2 39 . 1 . 1 6 6 DG H3' H 1 5.258 0.01 . 1 . . . . . 6 DG H3' . 52355 2 40 . 1 . 1 6 6 DG H8 H 1 8.313 0.01 . 1 . . . . . 6 DG H8 . 52355 2 41 . 1 . 1 7 7 DG H1 H 1 11.646 0.01 . 1 . . . . . 7 DG H1 . 52355 2 42 . 1 . 1 7 7 DG H1' H 1 6.394 0.01 . 1 . . . . . 7 DG H1' . 52355 2 43 . 1 . 1 7 7 DG H2' H 1 3.226 0.01 . 2 . . . . . 7 DG H2' . 52355 2 44 . 1 . 1 7 7 DG H2'' H 1 3.014 0.01 . 2 . . . . . 7 DG H2'' . 52355 2 45 . 1 . 1 7 7 DG H3' H 1 4.898 0.01 . 1 . . . . . 7 DG H3' . 52355 2 46 . 1 . 1 7 7 DG H4' H 1 4.527 0.01 . 1 . . . . . 7 DG H4' . 52355 2 47 . 1 . 1 7 7 DG H8 H 1 8.460 0.01 . 1 . . . . . 7 DG H8 . 52355 2 48 . 1 . 1 7 7 DG P P 31 -3.813 0.05 . 1 . . . . . 7 DG P . 52355 2 49 . 1 . 1 8 8 DG H1 H 1 12.777 0.01 . 1 . . . . . 8 DG H1 . 52355 2 50 . 1 . 1 8 8 DG H1' H 1 6.012 0.01 . 1 . . . . . 8 DG H1' . 52355 2 51 . 1 . 1 8 8 DG H2' H 1 2.565 0.01 . 2 . . . . . 8 DG H2' . 52355 2 52 . 1 . 1 8 8 DG H2'' H 1 2.838 0.01 . 2 . . . . . 8 DG H2'' . 52355 2 53 . 1 . 1 8 8 DG H3' H 1 4.890 0.01 . 1 . . . . . 8 DG H3' . 52355 2 54 . 1 . 1 8 8 DG H8 H 1 7.760 0.01 . 1 . . . . . 8 DG H8 . 52355 2 55 . 1 . 1 9 9 DT H1' H 1 6.069 0.01 . 1 . . . . . 9 DT H1' . 52355 2 56 . 1 . 1 9 9 DT H2' H 1 1.864 0.01 . 2 . . . . . 9 DT H2' . 52355 2 57 . 1 . 1 9 9 DT H2'' H 1 2.423 0.01 . 2 . . . . . 9 DT H2'' . 52355 2 58 . 1 . 1 9 9 DT H3 H 1 13.910 0.01 . 1 . . . . . 9 DT H3 . 52355 2 59 . 1 . 1 9 9 DT H3' H 1 4.786 0.01 . 1 . . . . . 9 DT H3' . 52355 2 60 . 1 . 1 9 9 DT H6 H 1 7.438 0.01 . 1 . . . . . 9 DT H6 . 52355 2 61 . 1 . 1 9 9 DT H71 H 1 1.375 0.01 . 3 . . . . . 9 DT H71 . 52355 2 62 . 1 . 1 9 9 DT H72 H 1 1.375 0.01 . 3 . . . . . 9 DT H72 . 52355 2 63 . 1 . 1 9 9 DT H73 H 1 1.375 0.01 . 3 . . . . . 9 DT H73 . 52355 2 64 . 1 . 1 10 10 DC H1' H 1 6.015 0.01 . 1 . . . . . 10 DC H1' . 52355 2 65 . 1 . 1 10 10 DC H2' H 1 1.758 0.01 . 1 . . . . . 10 DC H2' . 52355 2 66 . 1 . 1 10 10 DC H2'' H 1 2.281 0.01 . 1 . . . . . 10 DC H2'' . 52355 2 67 . 1 . 1 10 10 DC H3' H 1 4.836 0.01 . 1 . . . . . 10 DC H3' . 52355 2 68 . 1 . 1 10 10 DC H5 H 1 5.441 0.01 . 1 . . . . . 10 DC H5 . 52355 2 69 . 1 . 1 10 10 DC H6 H 1 7.234 0.01 . 1 . . . . . 10 DC H6 . 52355 2 70 . 1 . 1 10 10 DC H41 H 1 8.505 0.01 . 1 . . . . . 10 DC H41 . 52355 2 71 . 1 . 1 10 10 DC H42 H 1 7.157 0.01 . 1 . . . . . 10 DC H42 . 52355 2 72 . 1 . 1 11 11 DG H1' H 1 5.345 0.01 . 1 . . . . . 11 DG H1' . 52355 2 73 . 1 . 1 11 11 DG H2' H 1 2.704 0.01 . 1 . . . . . 11 DG H2' . 52355 2 74 . 1 . 1 11 11 DG H2'' H 1 2.566 0.01 . 1 . . . . . 11 DG H2'' . 52355 2 75 . 1 . 1 11 11 DG H3' H 1 4.927 0.01 . 1 . . . . . 11 DG H3' . 52355 2 76 . 1 . 1 11 11 DG H8 H 1 8.138 0.01 . 1 . . . . . 11 DG H8 . 52355 2 77 . 1 . 1 12 12 DA H1' H 1 5.974 0.01 . 1 . . . . . 12 DA H1' . 52355 2 78 . 1 . 1 12 12 DA H2' H 1 2.256 0.01 . 1 . . . . . 12 DA H2' . 52355 2 79 . 1 . 1 12 12 DA H2'' H 1 2.324 0.01 . 1 . . . . . 12 DA H2'' . 52355 2 80 . 1 . 1 12 12 DA H3' H 1 4.580 0.01 . 1 . . . . . 12 DA H3' . 52355 2 81 . 1 . 1 12 12 DA H5' H 1 3.392 0.01 . 2 . . . . . 12 DA H5' . 52355 2 82 . 1 . 1 12 12 DA H5'' H 1 3.086 0.01 . 2 . . . . . 12 DA H5'' . 52355 2 83 . 1 . 1 12 12 DA H8 H 1 8.136 0.01 . 1 . . . . . 12 DA H8 . 52355 2 84 . 1 . 1 13 13 DA H1' H 1 6.273 0.01 . 1 . . . . . 13 DA H1' . 52355 2 85 . 1 . 1 13 13 DA H2' H 1 2.722 0.01 . 2 . . . . . 13 DA H2' . 52355 2 86 . 1 . 1 13 13 DA H2'' H 1 2.855 0.01 . 2 . . . . . 13 DA H2'' . 52355 2 87 . 1 . 1 14 14 DG H1 H 1 12.977 0.01 . 1 . . . . . 14 DG H1 . 52355 2 88 . 1 . 1 14 14 DG H1' H 1 5.026 0.01 . 1 . . . . . 14 DG H1' . 52355 2 89 . 1 . 1 14 14 DG H2' H 1 2.651 0.01 . 1 . . . . . 14 DG H2' . 52355 2 90 . 1 . 1 14 14 DG H2'' H 1 2.546 0.01 . 1 . . . . . 14 DG H2'' . 52355 2 91 . 1 . 1 14 14 DG H3' H 1 4.903 0.01 . 1 . . . . . 14 DG H3' . 52355 2 92 . 1 . 1 14 14 DG H8 H 1 8.081 0.01 . 1 . . . . . 14 DG H8 . 52355 2 93 . 1 . 1 15 15 DA H1' H 1 6.253 0.01 . 1 . . . . . 15 DA H1' . 52355 2 94 . 1 . 1 15 15 DA H2 H 1 8.055 0.01 . 1 . . . . . 15 DA H2 . 52355 2 95 . 1 . 1 15 15 DA H2' H 1 2.581 0.01 . 1 . . . . . 15 DA H2' . 52355 2 96 . 1 . 1 15 15 DA H2'' H 1 2.777 0.01 . 1 . . . . . 15 DA H2'' . 52355 2 97 . 1 . 1 15 15 DA H3' H 1 5.038 0.01 . 1 . . . . . 15 DA H3' . 52355 2 98 . 1 . 1 15 15 DA P P 31 -3.416 0.05 . 1 . . . . . 15 DA P . 52355 2 99 . 1 . 1 16 16 DC H1' H 1 5.930 0.01 . 1 . . . . . 16 DC H1' . 52355 2 100 . 1 . 1 16 16 DC H2' H 1 1.974 0.01 . 1 . . . . . 16 DC H2' . 52355 2 101 . 1 . 1 16 16 DC H2'' H 1 2.317 0.01 . 1 . . . . . 16 DC H2'' . 52355 2 102 . 1 . 1 16 16 DC H3' H 1 4.814 0.01 . 1 . . . . . 16 DC H3' . 52355 2 103 . 1 . 1 16 16 DC H5 H 1 5.001 0.01 . 1 . . . . . 16 DC H5 . 52355 2 104 . 1 . 1 16 16 DC H6 H 1 7.245 0.01 . 1 . . . . . 16 DC H6 . 52355 2 105 . 1 . 1 16 16 DC H41 H 1 8.106 0.01 . 1 . . . . . 16 DC H41 . 52355 2 106 . 1 . 1 16 16 DC H42 H 1 6.583 0.01 . 1 . . . . . 16 DC H42 . 52355 2 107 . 1 . 1 17 17 DT H1' H 1 5.428 0.01 . 1 . . . . . 17 DT H1' . 52355 2 108 . 1 . 1 17 17 DT H2' H 1 0.615 0.01 . 1 . . . . . 17 DT H2' . 52355 2 109 . 1 . 1 17 17 DT H2'' H 1 1.582 0.01 . 1 . . . . . 17 DT H2'' . 52355 2 110 . 1 . 1 17 17 DT H3 H 1 10.801 0.01 . 1 . . . . . 17 DT H3 . 52355 2 111 . 1 . 1 17 17 DT H3' H 1 4.397 0.01 . 1 . . . . . 17 DT H3' . 52355 2 112 . 1 . 1 17 17 DT H4' H 1 4.168 0.01 . 1 . . . . . 17 DT H4' . 52355 2 113 . 1 . 1 17 17 DT H5' H 1 4.122 0.01 . 2 . . . . . 17 DT H5' . 52355 2 114 . 1 . 1 17 17 DT H5'' H 1 3.702 0.01 . 2 . . . . . 17 DT H5'' . 52355 2 115 . 1 . 1 17 17 DT H6 H 1 6.974 0.01 . 1 . . . . . 17 DT H6 . 52355 2 116 . 1 . 1 17 17 DT H71 H 1 1.340 0.01 . 3 . . . . . 17 DT H71 . 52355 2 117 . 1 . 1 17 17 DT H72 H 1 1.340 0.01 . 3 . . . . . 17 DT H72 . 52355 2 118 . 1 . 1 17 17 DT H73 H 1 1.340 0.01 . 3 . . . . . 17 DT H73 . 52355 2 119 . 1 . 1 17 17 DT P P 31 -4.923 0.05 . 1 . . . . . 17 DT P . 52355 2 120 . 1 . 1 18 18 DG H1 H 1 12.889 0.01 . 1 . . . . . 18 DG H1 . 52355 2 121 . 1 . 1 18 18 DG H1' H 1 5.383 0.01 . 1 . . . . . 18 DG H1' . 52355 2 122 . 1 . 1 18 18 DG H2' H 1 2.841 0.01 . 1 . . . . . 18 DG H2' . 52355 2 123 . 1 . 1 18 18 DG H2'' H 1 2.495 0.01 . 1 . . . . . 18 DG H2'' . 52355 2 124 . 1 . 1 18 18 DG H3' H 1 4.973 0.01 . 1 . . . . . 18 DG H3' . 52355 2 125 . 1 . 1 18 18 DG H8 H 1 7.974 0.01 . 1 . . . . . 18 DG H8 . 52355 2 126 . 1 . 1 19 19 DC H1' H 1 6.205 0.01 . 1 . . . . . 19 DC H1' . 52355 2 127 . 1 . 1 19 19 DC H2' H 1 2.013 0.01 . 1 . . . . . 19 DC H2' . 52355 2 128 . 1 . 1 19 19 DC H2'' H 1 2.350 0.01 . 1 . . . . . 19 DC H2'' . 52355 2 129 . 1 . 1 19 19 DC H3' H 1 4.952 0.01 . 1 . . . . . 19 DC H3' . 52355 2 130 . 1 . 1 19 19 DC H4' H 1 4.413 0.01 . 1 . . . . . 19 DC H4' . 52355 2 131 . 1 . 1 19 19 DC H5 H 1 5.861 0.01 . 1 . . . . . 19 DC H5 . 52355 2 132 . 1 . 1 19 19 DC H6 H 1 7.579 0.01 . 1 . . . . . 19 DC H6 . 52355 2 133 . 1 . 1 19 19 DC H41 H 1 7.784 0.01 . 1 . . . . . 19 DC H41 . 52355 2 134 . 1 . 1 19 19 DC H42 H 1 6.698 0.01 . 1 . . . . . 19 DC H42 . 52355 2 135 . 1 . 1 19 19 DC P P 31 -2.808 0.05 . 1 . . . . . 19 DC P . 52355 2 136 . 1 . 1 20 20 DC H1' H 1 6.438 0.01 . 1 . . . . . 20 DC H1' . 52355 2 137 . 1 . 1 20 20 DC H2' H 1 2.812 0.01 . 2 . . . . . 20 DC H2' . 52355 2 138 . 1 . 1 20 20 DC H2'' H 1 2.772 0.01 . 2 . . . . . 20 DC H2'' . 52355 2 139 . 1 . 1 20 20 DC H3' H 1 5.156 0.01 . 1 . . . . . 20 DC H3' . 52355 2 140 . 1 . 1 20 20 DC H5 H 1 5.873 0.01 . 1 . . . . . 20 DC H5 . 52355 2 141 . 1 . 1 20 20 DC H5'' H 1 4.065 0.01 . 2 . . . . . 20 DC H5'' . 52355 2 142 . 1 . 1 20 20 DC H6 H 1 7.874 0.01 . 1 . . . . . 20 DC H6 . 52355 2 143 . 1 . 1 20 20 DC H41 H 1 8.970 0.01 . 1 . . . . . 20 DC H41 . 52355 2 144 . 1 . 1 20 20 DC H42 H 1 7.060 0.01 . 1 . . . . . 20 DC H42 . 52355 2 145 . 1 . 1 20 20 DC P P 31 -4.888 0.05 . 1 . . . . . 20 DC P . 52355 2 146 . 1 . 1 21 21 DA H1' H 1 6.323 0.01 . 1 . . . . . 21 DA H1' . 52355 2 147 . 1 . 1 21 21 DA H2 H 1 8.180 0.01 . 1 . . . . . 21 DA H2 . 52355 2 148 . 1 . 1 21 21 DA H2' H 1 2.134 0.01 . 1 . . . . . 21 DA H2' . 52355 2 149 . 1 . 1 21 21 DA H2'' H 1 2.808 0.01 . 1 . . . . . 21 DA H2'' . 52355 2 150 . 1 . 1 21 21 DA H3' H 1 5.200 0.01 . 1 . . . . . 21 DA H3' . 52355 2 151 . 1 . 1 21 21 DA H4' H 1 4.365 0.01 . 1 . . . . . 21 DA H4' . 52355 2 152 . 1 . 1 21 21 DA H5' H 1 4.469 0.01 . 2 . . . . . 21 DA H5' . 52355 2 153 . 1 . 1 21 21 DA H5'' H 1 4.208 0.01 . 2 . . . . . 21 DA H5'' . 52355 2 154 . 1 . 1 21 21 DA H8 H 1 7.889 0.01 . 1 . . . . . 21 DA H8 . 52355 2 155 . 1 . 1 21 21 DA P P 31 -2.949 0.05 . 1 . . . . . 21 DA P . 52355 2 156 . 1 . 1 22 22 DG H1 H 1 13.154 0.01 . 1 . . . . . 22 DG H1 . 52355 2 157 . 1 . 1 22 22 DG H1' H 1 5.965 0.01 . 1 . . . . . 22 DG H1' . 52355 2 158 . 1 . 1 22 22 DG H2' H 1 2.487 0.01 . 2 . . . . . 22 DG H2' . 52355 2 159 . 1 . 1 22 22 DG H2'' H 1 2.537 0.01 . 2 . . . . . 22 DG H2'' . 52355 2 160 . 1 . 1 22 22 DG H3' H 1 4.693 0.01 . 1 . . . . . 22 DG H3' . 52355 2 161 . 1 . 1 22 22 DG H8 H 1 8.006 0.01 . 1 . . . . . 22 DG H8 . 52355 2 162 . 1 . 1 22 22 DG P P 31 -3.880 0.05 . 1 . . . . . 22 DG P . 52355 2 163 . 1 . 1 23 23 DC H1' H 1 5.488 0.01 . 1 . . . . . 23 DC H1' . 52355 2 164 . 1 . 1 23 23 DC H2' H 1 1.813 0.01 . 1 . . . . . 23 DC H2' . 52355 2 165 . 1 . 1 23 23 DC H2'' H 1 2.293 0.01 . 1 . . . . . 23 DC H2'' . 52355 2 166 . 1 . 1 23 23 DC H3' H 1 4.468 0.01 . 1 . . . . . 23 DC H3' . 52355 2 167 . 1 . 1 23 23 DC H5 H 1 6.223 0.01 . 1 . . . . . 23 DC H5 . 52355 2 168 . 1 . 1 23 23 DC H6 H 1 7.650 0.01 . 1 . . . . . 23 DC H6 . 52355 2 169 . 1 . 1 23 23 DC H41 H 1 8.848 0.01 . 1 . . . . . 23 DC H41 . 52355 2 170 . 1 . 1 23 23 DC P P 31 -3.495 0.05 . 1 . . . . . 23 DC P . 52355 2 171 . 1 . 1 24 24 DG H1 H 1 13.186 0.01 . 1 . . . . . 24 DG H1 . 52355 2 172 . 1 . 1 24 24 DG H1' H 1 5.699 0.01 . 1 . . . . . 24 DG H1' . 52355 2 173 . 1 . 1 24 24 DG H2' H 1 2.563 0.01 . 1 . . . . . 24 DG H2' . 52355 2 174 . 1 . 1 24 24 DG H2'' H 1 2.795 0.01 . 1 . . . . . 24 DG H2'' . 52355 2 175 . 1 . 1 24 24 DG H3' H 1 4.746 0.01 . 1 . . . . . 24 DG H3' . 52355 2 176 . 1 . 1 24 24 DG H8 H 1 7.680 0.01 . 1 . . . . . 24 DG H8 . 52355 2 177 . 1 . 1 24 24 DG P P 31 -3.798 0.05 . 1 . . . . . 24 DG P . 52355 2 178 . 1 . 1 25 25 DG H1 H 1 12.547 0.01 . 1 . . . . . 25 DG H1 . 52355 2 179 . 1 . 1 25 25 DG H1' H 1 5.185 0.01 . 1 . . . . . 25 DG H1' . 52355 2 180 . 1 . 1 25 25 DG H2' H 1 2.481 0.01 . 1 . . . . . 25 DG H2' . 52355 2 181 . 1 . 1 25 25 DG H2'' H 1 2.315 0.01 . 1 . . . . . 25 DG H2'' . 52355 2 182 . 1 . 1 25 25 DG H3' H 1 4.786 0.01 . 1 . . . . . 25 DG H3' . 52355 2 183 . 1 . 1 25 25 DG H8 H 1 7.758 0.01 . 1 . . . . . 25 DG H8 . 52355 2 184 . 1 . 1 26 26 DC H1' H 1 6.079 0.01 . 1 . . . . . 26 DC H1' . 52355 2 185 . 1 . 1 26 26 DC H2' H 1 2.219 0.01 . 2 . . . . . 26 DC H2' . 52355 2 186 . 1 . 1 26 26 DC H2'' H 1 2.440 0.01 . 2 . . . . . 26 DC H2'' . 52355 2 187 . 1 . 1 26 26 DC H3' H 1 4.727 0.01 . 1 . . . . . 26 DC H3' . 52355 2 188 . 1 . 1 26 26 DC H5 H 1 5.642 0.01 . 1 . . . . . 26 DC H5 . 52355 2 189 . 1 . 1 26 26 DC H6 H 1 7.452 0.01 . 1 . . . . . 26 DC H6 . 52355 2 190 . 1 . 1 26 26 DC H41 H 1 8.093 0.01 . 1 . . . . . 26 DC H41 . 52355 2 191 . 1 . 1 26 26 DC H42 H 1 6.796 0.01 . 1 . . . . . 26 DC H42 . 52355 2 192 . 1 . 1 26 26 DC P P 31 -3.188 0.05 . 1 . . . . . 26 DC P . 52355 2 193 . 1 . 1 27 27 DT H1' H 1 6.123 0.01 . 1 . . . . . 27 DT H1' . 52355 2 194 . 1 . 1 27 27 DT H3' H 1 4.663 0.01 . 1 . . . . . 27 DT H3' . 52355 2 195 . 1 . 1 27 27 DT H6 H 1 7.239 0.01 . 1 . . . . . 27 DT H6 . 52355 2 196 . 1 . 1 27 27 DT H71 H 1 1.647 0.01 . 3 . . . . . 27 DT H71 . 52355 2 197 . 1 . 1 27 27 DT H72 H 1 1.647 0.01 . 3 . . . . . 27 DT H72 . 52355 2 198 . 1 . 1 27 27 DT H73 H 1 1.647 0.01 . 3 . . . . . 27 DT H73 . 52355 2 199 . 1 . 1 28 28 DC H1' H 1 5.976 0.01 . 1 . . . . . 28 DC H1' . 52355 2 200 . 1 . 1 28 28 DC H2' H 1 2.158 0.01 . 2 . . . . . 28 DC H2' . 52355 2 201 . 1 . 1 28 28 DC H3' H 1 4.881 0.01 . 1 . . . . . 28 DC H3' . 52355 2 202 . 1 . 1 28 28 DC H5 H 1 5.573 0.01 . 1 . . . . . 28 DC H5 . 52355 2 203 . 1 . 1 28 28 DC H6 H 1 7.308 0.01 . 1 . . . . . 28 DC H6 . 52355 2 204 . 1 . 1 28 28 DC H41 H 1 8.689 0.01 . 1 . . . . . 28 DC H41 . 52355 2 205 . 1 . 1 28 28 DC H42 H 1 7.256 0.01 . 1 . . . . . 28 DC H42 . 52355 2 206 . 1 . 1 29 29 DG H3' H 1 5.000 0.01 . 1 . . . . . 29 DG H3' . 52355 2 207 . 1 . 1 29 29 DG H8 H 1 8.135 0.01 . 1 . . . . . 29 DG H8 . 52355 2 208 . 1 . 1 30 30 DA H1' H 1 5.151 0.01 . 1 . . . . . 30 DA H1' . 52355 2 209 . 1 . 1 30 30 DA H2 H 1 8.446 0.01 . 1 . . . . . 30 DA H2 . 52355 2 210 . 1 . 1 30 30 DA H2' H 1 1.413 0.01 . 2 . . . . . 30 DA H2' . 52355 2 211 . 1 . 1 30 30 DA H3' H 1 4.668 0.01 . 1 . . . . . 30 DA H3' . 52355 2 212 . 1 . 1 30 30 DA H4' H 1 3.304 0.01 . 1 . . . . . 30 DA H4' . 52355 2 213 . 1 . 1 30 30 DA H5' H 1 3.940 0.01 . 2 . . . . . 30 DA H5' . 52355 2 214 . 1 . 1 30 30 DA H5'' H 1 3.653 0.01 . 2 . . . . . 30 DA H5'' . 52355 2 215 . 1 . 1 30 30 DA H8 H 1 8.111 0.01 . 1 . . . . . 30 DA H8 . 52355 2 216 . 1 . 1 30 30 DA P P 31 -2.590 0.05 . 1 . . . . . 30 DA P . 52355 2 217 . 1 . 1 31 31 DC H1' H 1 4.977 0.01 . 1 . . . . . 31 DC H1' . 52355 2 218 . 1 . 1 31 31 DC H2' H 1 2.157 0.01 . 1 . . . . . 31 DC H2' . 52355 2 219 . 1 . 1 31 31 DC H2'' H 1 2.306 0.01 . 1 . . . . . 31 DC H2'' . 52355 2 220 . 1 . 1 31 31 DC H3' H 1 4.801 0.01 . 1 . . . . . 31 DC H3' . 52355 2 221 . 1 . 1 31 31 DC H5 H 1 5.712 0.01 . 1 . . . . . 31 DC H5 . 52355 2 222 . 1 . 1 31 31 DC H6 H 1 7.411 0.01 . 1 . . . . . 31 DC H6 . 52355 2 223 . 1 . 1 31 31 DC H41 H 1 8.500 0.01 . 1 . . . . . 31 DC H41 . 52355 2 224 . 1 . 1 31 31 DC H42 H 1 7.041 0.01 . 1 . . . . . 31 DC H42 . 52355 2 225 . 1 . 1 32 32 DG H1 H 1 13.200 0.01 . 1 . . . . . 32 DG H1 . 52355 2 226 . 1 . 1 32 32 DG H1' H 1 5.677 0.01 . 1 . . . . . 32 DG H1' . 52355 2 227 . 1 . 1 32 32 DG H2' H 1 2.732 0.01 . 1 . . . . . 32 DG H2' . 52355 2 228 . 1 . 1 32 32 DG H2'' H 1 2.816 0.01 . 1 . . . . . 32 DG H2'' . 52355 2 229 . 1 . 1 32 32 DG H3' H 1 5.043 0.01 . 1 . . . . . 32 DG H3' . 52355 2 230 . 1 . 1 32 32 DG H8 H 1 7.864 0.01 . 1 . . . . . 32 DG H8 . 52355 2 231 . 1 . 1 32 32 DG P P 31 -3.438 0.05 . 1 . . . . . 32 DG P . 52355 2 232 . 1 . 1 33 33 DG H1 H 1 13.046 0.01 . 1 . . . . . 33 DG H1 . 52355 2 233 . 1 . 1 33 33 DG H1' H 1 5.916 0.01 . 1 . . . . . 33 DG H1' . 52355 2 234 . 1 . 1 33 33 DG H2' H 1 2.597 0.01 . 1 . . . . . 33 DG H2' . 52355 2 235 . 1 . 1 33 33 DG H2'' H 1 2.741 0.01 . 1 . . . . . 33 DG H2'' . 52355 2 236 . 1 . 1 33 33 DG H3' H 1 5.022 0.01 . 1 . . . . . 33 DG H3' . 52355 2 237 . 1 . 1 33 33 DG H8 H 1 7.812 0.01 . 1 . . . . . 33 DG H8 . 52355 2 238 . 1 . 1 33 33 DG P P 31 -4.157 0.05 . 1 . . . . . 33 DG P . 52355 2 239 . 1 . 1 34 34 DC H1' H 1 5.743 0.01 . 1 . . . . . 34 DC H1' . 52355 2 240 . 1 . 1 34 34 DC H2' H 1 1.937 0.01 . 1 . . . . . 34 DC H2' . 52355 2 241 . 1 . 1 34 34 DC H2'' H 1 2.366 0.01 . 1 . . . . . 34 DC H2'' . 52355 2 242 . 1 . 1 34 34 DC H3' H 1 4.847 0.01 . 1 . . . . . 34 DC H3' . 52355 2 243 . 1 . 1 34 34 DC H5 H 1 5.442 0.01 . 1 . . . . . 34 DC H5 . 52355 2 244 . 1 . 1 34 34 DC H6 H 1 7.339 0.01 . 1 . . . . . 34 DC H6 . 52355 2 245 . 1 . 1 34 34 DC H41 H 1 8.502 0.01 . 1 . . . . . 34 DC H41 . 52355 2 246 . 1 . 1 34 34 DC H42 H 1 6.658 0.01 . 1 . . . . . 34 DC H42 . 52355 2 247 . 1 . 1 34 34 DC P P 31 -4.017 0.05 . 1 . . . . . 34 DC P . 52355 2 248 . 1 . 1 35 35 DG H1' H 1 6.195 0.01 . 1 . . . . . 35 DG H1' . 52355 2 249 . 1 . 1 35 35 DG H2' H 1 2.640 0.01 . 1 . . . . . 35 DG H2' . 52355 2 250 . 1 . 1 35 35 DG H2'' H 1 2.382 0.01 . 1 . . . . . 35 DG H2'' . 52355 2 251 . 1 . 1 35 35 DG H3' H 1 4.706 0.01 . 1 . . . . . 35 DG H3' . 52355 2 252 . 1 . 1 35 35 DG H8 H 1 7.973 0.01 . 1 . . . . . 35 DG H8 . 52355 2 253 . 1 . 1 35 35 DG P P 31 -3.850 0.05 . 1 . . . . . 35 DG P . 52355 2 stop_ save_ save_assigned_chemical_shifts_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3 _Assigned_chem_shift_list.Entry_ID 52355 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Name list_3 _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 3 '2D 1H-1H NOESY' . . . 52355 3 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52355 3 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 DC H1' H 1 5.788 0.01 . 1 . . . . . 1 DC H1' . 52355 3 2 . 1 . 1 1 1 DC H2' H 1 2.016 0.01 . 1 . . . . . 1 DC H2' . 52355 3 3 . 1 . 1 1 1 DC H2'' H 1 2.464 0.01 . 1 . . . . . 1 DC H2'' . 52355 3 4 . 1 . 1 1 1 DC H3' H 1 4.746 0.01 . 1 . . . . . 1 DC H3' . 52355 3 5 . 1 . 1 1 1 DC H5 H 1 5.960 0.01 . 1 . . . . . 1 DC H5 . 52355 3 6 . 1 . 1 1 1 DC H6 H 1 7.683 0.01 . 1 . . . . . 1 DC H6 . 52355 3 7 . 1 . 1 2 2 DG H1 H 1 13.126 0.01 . 1 . . . . . 2 DG H1 . 52355 3 8 . 1 . 1 2 2 DG H1' H 1 5.925 0.01 . 1 . . . . . 2 DG H1' . 52355 3 9 . 1 . 1 2 2 DG H2' H 1 2.739 0.01 . 1 . . . . . 2 DG H2' . 52355 3 10 . 1 . 1 2 2 DG H2'' H 1 2.739 0.01 . 1 . . . . . 2 DG H2'' . 52355 3 11 . 1 . 1 2 2 DG H3' H 1 5.015 0.01 . 1 . . . . . 2 DG H3' . 52355 3 12 . 1 . 1 2 2 DG H8 H 1 8.026 0.01 . 1 . . . . . 2 DG H8 . 52355 3 13 . 1 . 1 2 2 DG P P 31 -4.065 0.05 . 1 . . . . . 2 DG P . 52355 3 14 . 1 . 1 3 3 DC H1' H 1 6.058 0.01 . 1 . . . . . 3 DC H1' . 52355 3 15 . 1 . 1 3 3 DC H2' H 1 2.147 0.01 . 1 . . . . . 3 DC H2' . 52355 3 16 . 1 . 1 3 3 DC H2'' H 1 2.492 0.01 . 1 . . . . . 3 DC H2'' . 52355 3 17 . 1 . 1 3 3 DC H3' H 1 4.900 0.01 . 1 . . . . . 3 DC H3' . 52355 3 18 . 1 . 1 3 3 DC H5 H 1 5.463 0.01 . 1 . . . . . 3 DC H5 . 52355 3 19 . 1 . 1 3 3 DC H6 H 1 7.486 0.01 . 1 . . . . . 3 DC H6 . 52355 3 20 . 1 . 1 3 3 DC H41 H 1 8.242 0.01 . 1 . . . . . 3 DC H41 . 52355 3 21 . 1 . 1 3 3 DC H42 H 1 6.438 0.01 . 1 . . . . . 3 DC H42 . 52355 3 22 . 1 . 1 3 3 DC P P 31 -4.153 0.05 . 1 . . . . . 3 DC P . 52355 3 23 . 1 . 1 4 4 DC H1' H 1 5.557 0.01 . 1 . . . . . 4 DC H1' . 52355 3 24 . 1 . 1 4 4 DC H2' H 1 1.881 0.01 . 1 . . . . . 4 DC H2' . 52355 3 25 . 1 . 1 4 4 DC H2'' H 1 2.248 0.01 . 1 . . . . . 4 DC H2'' . 52355 3 26 . 1 . 1 4 4 DC H3' H 1 4.840 0.01 . 1 . . . . . 4 DC H3' . 52355 3 27 . 1 . 1 4 4 DC H5 H 1 5.629 0.01 . 1 . . . . . 4 DC H5 . 52355 3 28 . 1 . 1 4 4 DC H6 H 1 7.398 0.01 . 1 . . . . . 4 DC H6 . 52355 3 29 . 1 . 1 4 4 DC H41 H 1 8.526 0.01 . 1 . . . . . 4 DC H41 . 52355 3 30 . 1 . 1 4 4 DC H42 H 1 6.944 0.01 . 1 . . . . . 4 DC H42 . 52355 3 31 . 1 . 1 5 5 DG H1 H 1 12.898 0.01 . 1 . . . . . 5 DG H1 . 52355 3 32 . 1 . 1 5 5 DG H1' H 1 5.953 0.01 . 1 . . . . . 5 DG H1' . 52355 3 33 . 1 . 1 5 5 DG H3' H 1 4.995 0.01 . 1 . . . . . 5 DG H3' . 52355 3 34 . 1 . 1 6 6 DG H1' H 1 5.851 0.01 . 1 . . . . . 6 DG H1' . 52355 3 35 . 1 . 1 6 6 DG H2' H 1 3.048 0.01 . 2 . . . . . 6 DG H2' . 52355 3 36 . 1 . 1 6 6 DG H2'' H 1 3.244 0.01 . 2 . . . . . 6 DG H2'' . 52355 3 37 . 1 . 1 6 6 DG H3' H 1 5.229 0.01 . 1 . . . . . 6 DG H3' . 52355 3 38 . 1 . 1 6 6 DG H8 H 1 8.311 0.01 . 1 . . . . . 6 DG H8 . 52355 3 39 . 1 . 1 7 7 DG H1 H 1 11.350 0.01 . 1 . . . . . 7 DG H1 . 52355 3 40 . 1 . 1 7 7 DG H1' H 1 6.268 0.01 . 1 . . . . . 7 DG H1' . 52355 3 41 . 1 . 1 7 7 DG H2' H 1 3.110 0.01 . 2 . . . . . 7 DG H2' . 52355 3 42 . 1 . 1 7 7 DG H2'' H 1 3.002 0.01 . 2 . . . . . 7 DG H2'' . 52355 3 43 . 1 . 1 7 7 DG H3' H 1 4.982 0.01 . 1 . . . . . 7 DG H3' . 52355 3 44 . 1 . 1 7 7 DG H8 H 1 8.254 0.01 . 1 . . . . . 7 DG H8 . 52355 3 45 . 1 . 1 8 8 DG H1 H 1 12.734 0.01 . 1 . . . . . 8 DG H1 . 52355 3 46 . 1 . 1 8 8 DG H1' H 1 6.037 0.01 . 1 . . . . . 8 DG H1' . 52355 3 47 . 1 . 1 8 8 DG H2' H 1 2.572 0.01 . 2 . . . . . 8 DG H2' . 52355 3 48 . 1 . 1 8 8 DG H2'' H 1 2.819 0.01 . 2 . . . . . 8 DG H2'' . 52355 3 49 . 1 . 1 8 8 DG H3' H 1 4.905 0.01 . 1 . . . . . 8 DG H3' . 52355 3 50 . 1 . 1 8 8 DG H8 H 1 7.701 0.01 . 1 . . . . . 8 DG H8 . 52355 3 51 . 1 . 1 9 9 DT H1' H 1 6.081 0.01 . 1 . . . . . 9 DT H1' . 52355 3 52 . 1 . 1 9 9 DT H2' H 1 1.882 0.01 . 2 . . . . . 9 DT H2' . 52355 3 53 . 1 . 1 9 9 DT H2'' H 1 2.414 0.01 . 2 . . . . . 9 DT H2'' . 52355 3 54 . 1 . 1 9 9 DT H3 H 1 13.962 0.01 . 1 . . . . . 9 DT H3 . 52355 3 55 . 1 . 1 9 9 DT H3' H 1 4.803 0.01 . 1 . . . . . 9 DT H3' . 52355 3 56 . 1 . 1 9 9 DT H6 H 1 7.398 0.01 . 1 . . . . . 9 DT H6 . 52355 3 57 . 1 . 1 9 9 DT H71 H 1 1.335 0.01 . 3 . . . . . 9 DT H71 . 52355 3 58 . 1 . 1 9 9 DT H72 H 1 1.335 0.01 . 3 . . . . . 9 DT H72 . 52355 3 59 . 1 . 1 9 9 DT H73 H 1 1.335 0.01 . 3 . . . . . 9 DT H73 . 52355 3 60 . 1 . 1 10 10 DC H1' H 1 6.008 0.01 . 1 . . . . . 10 DC H1' . 52355 3 61 . 1 . 1 10 10 DC H2' H 1 1.790 0.01 . 1 . . . . . 10 DC H2' . 52355 3 62 . 1 . 1 10 10 DC H2'' H 1 2.252 0.01 . 1 . . . . . 10 DC H2'' . 52355 3 63 . 1 . 1 10 10 DC H3' H 1 4.844 0.01 . 1 . . . . . 10 DC H3' . 52355 3 64 . 1 . 1 10 10 DC H5 H 1 5.416 0.01 . 1 . . . . . 10 DC H5 . 52355 3 65 . 1 . 1 10 10 DC H6 H 1 7.231 0.01 . 1 . . . . . 10 DC H6 . 52355 3 66 . 1 . 1 10 10 DC H41 H 1 8.500 0.01 . 1 . . . . . 10 DC H41 . 52355 3 67 . 1 . 1 10 10 DC H42 H 1 7.133 0.01 . 1 . . . . . 10 DC H42 . 52355 3 68 . 1 . 1 11 11 DG H1' H 1 5.341 0.01 . 1 . . . . . 11 DG H1' . 52355 3 69 . 1 . 1 11 11 DG H2' H 1 2.715 0.01 . 1 . . . . . 11 DG H2' . 52355 3 70 . 1 . 1 11 11 DG H2'' H 1 2.572 0.01 . 1 . . . . . 11 DG H2'' . 52355 3 71 . 1 . 1 11 11 DG H8 H 1 8.146 0.01 . 1 . . . . . 11 DG H8 . 52355 3 72 . 1 . 1 12 12 DA H1' H 1 5.972 0.01 . 1 . . . . . 12 DA H1' . 52355 3 73 . 1 . 1 12 12 DA H2' H 1 2.249 0.01 . 1 . . . . . 12 DA H2' . 52355 3 74 . 1 . 1 12 12 DA H2'' H 1 2.328 0.01 . 1 . . . . . 12 DA H2'' . 52355 3 75 . 1 . 1 12 12 DA H3' H 1 4.575 0.01 . 1 . . . . . 12 DA H3' . 52355 3 76 . 1 . 1 12 12 DA H4' H 1 2.057 0.01 . 1 . . . . . 12 DA H4' . 52355 3 77 . 1 . 1 12 12 DA H5' H 1 3.403 0.01 . 2 . . . . . 12 DA H5' . 52355 3 78 . 1 . 1 12 12 DA H5'' H 1 3.101 0.01 . 2 . . . . . 12 DA H5'' . 52355 3 79 . 1 . 1 12 12 DA H8 H 1 8.139 0.01 . 1 . . . . . 12 DA H8 . 52355 3 80 . 1 . 1 13 13 DA H1' H 1 6.280 0.01 . 1 . . . . . 13 DA H1' . 52355 3 81 . 1 . 1 13 13 DA H2' H 1 2.729 0.01 . 2 . . . . . 13 DA H2' . 52355 3 82 . 1 . 1 13 13 DA H2'' H 1 2.859 0.01 . 2 . . . . . 13 DA H2'' . 52355 3 83 . 1 . 1 13 13 DA H3' H 1 5.013 0.01 . 1 . . . . . 13 DA H3' . 52355 3 84 . 1 . 1 13 13 DA H8 H 1 8.276 0.01 . 1 . . . . . 13 DA H8 . 52355 3 85 . 1 . 1 14 14 DG H1 H 1 12.974 0.01 . 1 . . . . . 14 DG H1 . 52355 3 86 . 1 . 1 14 14 DG H1' H 1 4.992 0.01 . 1 . . . . . 14 DG H1' . 52355 3 87 . 1 . 1 14 14 DG H2' H 1 2.648 0.01 . 1 . . . . . 14 DG H2' . 52355 3 88 . 1 . 1 14 14 DG H2'' H 1 2.542 0.01 . 1 . . . . . 14 DG H2'' . 52355 3 89 . 1 . 1 14 14 DG H3' H 1 4.912 0.01 . 1 . . . . . 14 DG H3' . 52355 3 90 . 1 . 1 14 14 DG H8 H 1 8.071 0.01 . 1 . . . . . 14 DG H8 . 52355 3 91 . 1 . 1 15 15 DA H1' H 1 6.264 0.01 . 1 . . . . . 15 DA H1' . 52355 3 92 . 1 . 1 15 15 DA H2 H 1 8.049 0.01 . 1 . . . . . 15 DA H2 . 52355 3 93 . 1 . 1 15 15 DA H2' H 1 2.615 0.01 . 1 . . . . . 15 DA H2' . 52355 3 94 . 1 . 1 15 15 DA H2'' H 1 2.801 0.01 . 1 . . . . . 15 DA H2'' . 52355 3 95 . 1 . 1 15 15 DA H3' H 1 5.041 0.01 . 1 . . . . . 15 DA H3' . 52355 3 96 . 1 . 1 15 15 DA H8 H 1 8.206 0.01 . 1 . . . . . 15 DA H8 . 52355 3 97 . 1 . 1 15 15 DA P P 31 -3.509 0.05 . 1 . . . . . 15 DA P . 52355 3 98 . 1 . 1 16 16 DC H1' H 1 5.919 0.01 . 1 . . . . . 16 DC H1' . 52355 3 99 . 1 . 1 16 16 DC H2' H 1 1.913 0.01 . 1 . . . . . 16 DC H2' . 52355 3 100 . 1 . 1 16 16 DC H2'' H 1 2.338 0.01 . 1 . . . . . 16 DC H2'' . 52355 3 101 . 1 . 1 16 16 DC H3' H 1 4.795 0.01 . 1 . . . . . 16 DC H3' . 52355 3 102 . 1 . 1 16 16 DC H5 H 1 5.025 0.01 . 1 . . . . . 16 DC H5 . 52355 3 103 . 1 . 1 16 16 DC H6 H 1 7.212 0.01 . 1 . . . . . 16 DC H6 . 52355 3 104 . 1 . 1 16 16 DC H41 H 1 8.081 0.01 . 1 . . . . . 16 DC H41 . 52355 3 105 . 1 . 1 16 16 DC H42 H 1 6.568 0.01 . 1 . . . . . 16 DC H42 . 52355 3 106 . 1 . 1 17 17 DT H1' H 1 5.425 0.01 . 1 . . . . . 17 DT H1' . 52355 3 107 . 1 . 1 17 17 DT H2' H 1 0.934 0.01 . 1 . . . . . 17 DT H2' . 52355 3 108 . 1 . 1 17 17 DT H2'' H 1 1.759 0.01 . 1 . . . . . 17 DT H2'' . 52355 3 109 . 1 . 1 17 17 DT H3 H 1 11.070 0.01 . 1 . . . . . 17 DT H3 . 52355 3 110 . 1 . 1 17 17 DT H3' H 1 4.498 0.01 . 1 . . . . . 17 DT H3' . 52355 3 111 . 1 . 1 17 17 DT H4' H 1 4.131 0.01 . 1 . . . . . 17 DT H4' . 52355 3 112 . 1 . 1 17 17 DT H5' H 1 4.109 0.01 . 2 . . . . . 17 DT H5' . 52355 3 113 . 1 . 1 17 17 DT H5'' H 1 3.798 0.01 . 2 . . . . . 17 DT H5'' . 52355 3 114 . 1 . 1 17 17 DT H6 H 1 7.035 0.01 . 1 . . . . . 17 DT H6 . 52355 3 115 . 1 . 1 17 17 DT H71 H 1 1.373 0.01 . 3 . . . . . 17 DT H71 . 52355 3 116 . 1 . 1 17 17 DT H72 H 1 1.373 0.01 . 3 . . . . . 17 DT H72 . 52355 3 117 . 1 . 1 17 17 DT H73 H 1 1.373 0.01 . 3 . . . . . 17 DT H73 . 52355 3 118 . 1 . 1 17 17 DT P P 31 -4.880 0.05 . 1 . . . . . 17 DT P . 52355 3 119 . 1 . 1 18 18 DG H1' H 1 5.563 0.01 . 1 . . . . . 18 DG H1' . 52355 3 120 . 1 . 1 18 18 DG H2' H 1 2.782 0.01 . 1 . . . . . 18 DG H2' . 52355 3 121 . 1 . 1 18 18 DG H2'' H 1 2.590 0.01 . 1 . . . . . 18 DG H2'' . 52355 3 122 . 1 . 1 18 18 DG H3' H 1 4.973 0.01 . 1 . . . . . 18 DG H3' . 52355 3 123 . 1 . 1 18 18 DG H8 H 1 7.959 0.01 . 1 . . . . . 18 DG H8 . 52355 3 124 . 1 . 1 19 19 DC H2' H 1 2.071 0.01 . 1 . . . . . 19 DC H2' . 52355 3 125 . 1 . 1 19 19 DC H2'' H 1 2.315 0.01 . 1 . . . . . 19 DC H2'' . 52355 3 126 . 1 . 1 19 19 DC H3' H 1 4.891 0.01 . 1 . . . . . 19 DC H3' . 52355 3 127 . 1 . 1 19 19 DC H5 H 1 5.739 0.01 . 1 . . . . . 19 DC H5 . 52355 3 128 . 1 . 1 19 19 DC H6 H 1 7.544 0.01 . 1 . . . . . 19 DC H6 . 52355 3 129 . 1 . 1 19 19 DC H41 H 1 8.013 0.01 . 1 . . . . . 19 DC H41 . 52355 3 130 . 1 . 1 19 19 DC H42 H 1 6.687 0.01 . 1 . . . . . 19 DC H42 . 52355 3 131 . 1 . 1 20 20 DC H1' H 1 6.560 0.01 . 1 . . . . . 20 DC H1' . 52355 3 132 . 1 . 1 20 20 DC H2' H 1 2.631 0.01 . 2 . . . . . 20 DC H2' . 52355 3 133 . 1 . 1 20 20 DC H2'' H 1 2.814 0.01 . 2 . . . . . 20 DC H2'' . 52355 3 134 . 1 . 1 20 20 DC H3' H 1 5.137 0.01 . 1 . . . . . 20 DC H3' . 52355 3 135 . 1 . 1 20 20 DC H5 H 1 5.864 0.01 . 1 . . . . . 20 DC H5 . 52355 3 136 . 1 . 1 20 20 DC H6 H 1 7.816 0.01 . 1 . . . . . 20 DC H6 . 52355 3 137 . 1 . 1 20 20 DC H41 H 1 8.995 0.01 . 1 . . . . . 20 DC H41 . 52355 3 138 . 1 . 1 20 20 DC H42 H 1 7.044 0.01 . 1 . . . . . 20 DC H42 . 52355 3 139 . 1 . 1 21 21 DA H1' H 1 6.318 0.01 . 1 . . . . . 21 DA H1' . 52355 3 140 . 1 . 1 21 21 DA H2 H 1 8.173 0.01 . 1 . . . . . 21 DA H2 . 52355 3 141 . 1 . 1 21 21 DA H2'' H 1 2.766 0.01 . 1 . . . . . 21 DA H2'' . 52355 3 142 . 1 . 1 21 21 DA H3' H 1 5.196 0.01 . 1 . . . . . 21 DA H3' . 52355 3 143 . 1 . 1 21 21 DA H4' H 1 4.371 0.01 . 1 . . . . . 21 DA H4' . 52355 3 144 . 1 . 1 21 21 DA H5' H 1 4.423 0.01 . 2 . . . . . 21 DA H5' . 52355 3 145 . 1 . 1 21 21 DA H5'' H 1 4.200 0.01 . 2 . . . . . 21 DA H5'' . 52355 3 146 . 1 . 1 22 22 DG H1 H 1 13.154 0.01 . 1 . . . . . 22 DG H1 . 52355 3 147 . 1 . 1 22 22 DG H1' H 1 5.964 0.01 . 1 . . . . . 22 DG H1' . 52355 3 148 . 1 . 1 22 22 DG H2' H 1 2.466 0.01 . 2 . . . . . 22 DG H2' . 52355 3 149 . 1 . 1 22 22 DG H2'' H 1 2.548 0.01 . 2 . . . . . 22 DG H2'' . 52355 3 150 . 1 . 1 22 22 DG H3' H 1 4.709 0.01 . 1 . . . . . 22 DG H3' . 52355 3 151 . 1 . 1 22 22 DG H8 H 1 7.954 0.01 . 1 . . . . . 22 DG H8 . 52355 3 152 . 1 . 1 23 23 DC H1' H 1 5.469 0.01 . 1 . . . . . 23 DC H1' . 52355 3 153 . 1 . 1 23 23 DC H2' H 1 1.813 0.01 . 1 . . . . . 23 DC H2' . 52355 3 154 . 1 . 1 23 23 DC H2'' H 1 2.305 0.01 . 1 . . . . . 23 DC H2'' . 52355 3 155 . 1 . 1 23 23 DC H3' H 1 4.480 0.01 . 1 . . . . . 23 DC H3' . 52355 3 156 . 1 . 1 23 23 DC H5 H 1 6.199 0.01 . 1 . . . . . 23 DC H5 . 52355 3 157 . 1 . 1 23 23 DC H6 H 1 7.649 0.01 . 1 . . . . . 23 DC H6 . 52355 3 158 . 1 . 1 23 23 DC P P 31 -3.592 0.05 . 1 . . . . . 23 DC P . 52355 3 159 . 1 . 1 24 24 DG H1 H 1 13.182 0.01 . 1 . . . . . 24 DG H1 . 52355 3 160 . 1 . 1 24 24 DG H1' H 1 5.757 0.01 . 1 . . . . . 24 DG H1' . 52355 3 161 . 1 . 1 24 24 DG H2' H 1 2.657 0.01 . 1 . . . . . 24 DG H2' . 52355 3 162 . 1 . 1 24 24 DG H2'' H 1 2.889 0.01 . 1 . . . . . 24 DG H2'' . 52355 3 163 . 1 . 1 24 24 DG H3' H 1 4.753 0.01 . 1 . . . . . 24 DG H3' . 52355 3 164 . 1 . 1 24 24 DG H8 H 1 7.735 0.01 . 1 . . . . . 24 DG H8 . 52355 3 165 . 1 . 1 24 24 DG P P 31 -3.867 0.05 . 1 . . . . . 24 DG P . 52355 3 166 . 1 . 1 25 25 DG H1 H 1 12.639 0.01 . 1 . . . . . 25 DG H1 . 52355 3 167 . 1 . 1 25 25 DG H1' H 1 5.337 0.01 . 1 . . . . . 25 DG H1' . 52355 3 168 . 1 . 1 25 25 DG H2' H 1 2.403 0.01 . 1 . . . . . 25 DG H2' . 52355 3 169 . 1 . 1 25 25 DG H2'' H 1 2.361 0.01 . 1 . . . . . 25 DG H2'' . 52355 3 170 . 1 . 1 25 25 DG H3' H 1 4.812 0.01 . 1 . . . . . 25 DG H3' . 52355 3 171 . 1 . 1 25 25 DG H8 H 1 7.733 0.01 . 1 . . . . . 25 DG H8 . 52355 3 172 . 1 . 1 26 26 DC H1' H 1 6.083 0.01 . 1 . . . . . 26 DC H1' . 52355 3 173 . 1 . 1 26 26 DC H2' H 1 2.272 0.01 . 2 . . . . . 26 DC H2' . 52355 3 174 . 1 . 1 26 26 DC H2'' H 1 2.454 0.01 . 2 . . . . . 26 DC H2'' . 52355 3 175 . 1 . 1 26 26 DC H3' H 1 4.758 0.01 . 1 . . . . . 26 DC H3' . 52355 3 176 . 1 . 1 26 26 DC H4' H 1 3.663 0.01 . 1 . . . . . 26 DC H4' . 52355 3 177 . 1 . 1 26 26 DC H5 H 1 5.578 0.01 . 1 . . . . . 26 DC H5 . 52355 3 178 . 1 . 1 26 26 DC H6 H 1 7.394 0.01 . 1 . . . . . 26 DC H6 . 52355 3 179 . 1 . 1 26 26 DC H41 H 1 8.184 0.01 . 1 . . . . . 26 DC H41 . 52355 3 180 . 1 . 1 26 26 DC H42 H 1 6.726 0.01 . 1 . . . . . 26 DC H42 . 52355 3 181 . 1 . 1 27 27 DT H1' H 1 6.046 0.01 . 1 . . . . . 27 DT H1' . 52355 3 182 . 1 . 1 27 27 DT H2' H 1 1.796 0.01 . 1 . . . . . 27 DT H2' . 52355 3 183 . 1 . 1 27 27 DT H2'' H 1 2.309 0.01 . 1 . . . . . 27 DT H2'' . 52355 3 184 . 1 . 1 27 27 DT H3' H 1 4.612 0.01 . 1 . . . . . 27 DT H3' . 52355 3 185 . 1 . 1 27 27 DT H6 H 1 7.285 0.01 . 1 . . . . . 27 DT H6 . 52355 3 186 . 1 . 1 27 27 DT H71 H 1 1.659 0.01 . 3 . . . . . 27 DT H71 . 52355 3 187 . 1 . 1 27 27 DT H72 H 1 1.659 0.01 . 3 . . . . . 27 DT H72 . 52355 3 188 . 1 . 1 27 27 DT H73 H 1 1.659 0.01 . 3 . . . . . 27 DT H73 . 52355 3 189 . 1 . 1 28 28 DC H1' H 1 5.983 0.01 . 1 . . . . . 28 DC H1' . 52355 3 190 . 1 . 1 28 28 DC H3' H 1 4.871 0.01 . 1 . . . . . 28 DC H3' . 52355 3 191 . 1 . 1 28 28 DC H5 H 1 5.544 0.01 . 1 . . . . . 28 DC H5 . 52355 3 192 . 1 . 1 28 28 DC H6 H 1 7.328 0.01 . 1 . . . . . 28 DC H6 . 52355 3 193 . 1 . 1 28 28 DC H41 H 1 8.699 0.01 . 1 . . . . . 28 DC H41 . 52355 3 194 . 1 . 1 28 28 DC H42 H 1 7.306 0.01 . 1 . . . . . 28 DC H42 . 52355 3 195 . 1 . 1 29 29 DG H3' H 1 4.989 0.01 . 1 . . . . . 29 DG H3' . 52355 3 196 . 1 . 1 30 30 DA H2 H 1 8.393 0.01 . 1 . . . . . 30 DA H2 . 52355 3 197 . 1 . 1 30 30 DA H4' H 1 3.314 0.01 . 1 . . . . . 30 DA H4' . 52355 3 198 . 1 . 1 30 30 DA H5' H 1 3.943 0.01 . 2 . . . . . 30 DA H5' . 52355 3 199 . 1 . 1 30 30 DA H5'' H 1 3.645 0.01 . 2 . . . . . 30 DA H5'' . 52355 3 200 . 1 . 1 30 30 DA P P 31 -2.686 0.05 . 1 . . . . . 30 DA P . 52355 3 201 . 1 . 1 31 31 DC H2' H 1 2.125 0.01 . 1 . . . . . 31 DC H2' . 52355 3 202 . 1 . 1 31 31 DC H2'' H 1 2.291 0.01 . 1 . . . . . 31 DC H2'' . 52355 3 203 . 1 . 1 31 31 DC H4' H 1 3.989 0.01 . 1 . . . . . 31 DC H4' . 52355 3 204 . 1 . 1 31 31 DC H41 H 1 8.467 0.01 . 1 . . . . . 31 DC H41 . 52355 3 205 . 1 . 1 31 31 DC H42 H 1 6.998 0.01 . 1 . . . . . 31 DC H42 . 52355 3 206 . 1 . 1 32 32 DG H1 H 1 13.208 0.01 . 1 . . . . . 32 DG H1 . 52355 3 207 . 1 . 1 32 32 DG H1' H 1 5.657 0.01 . 1 . . . . . 32 DG H1' . 52355 3 208 . 1 . 1 32 32 DG H2' H 1 2.730 0.01 . 1 . . . . . 32 DG H2' . 52355 3 209 . 1 . 1 32 32 DG H2'' H 1 2.810 0.01 . 1 . . . . . 32 DG H2'' . 52355 3 210 . 1 . 1 32 32 DG H3' H 1 5.043 0.01 . 1 . . . . . 32 DG H3' . 52355 3 211 . 1 . 1 32 32 DG H8 H 1 7.861 0.01 . 1 . . . . . 32 DG H8 . 52355 3 212 . 1 . 1 33 33 DG H1 H 1 13.060 0.01 . 1 . . . . . 33 DG H1 . 52355 3 213 . 1 . 1 33 33 DG H1' H 1 5.921 0.01 . 1 . . . . . 33 DG H1' . 52355 3 214 . 1 . 1 33 33 DG H2' H 1 2.604 0.01 . 1 . . . . . 33 DG H2' . 52355 3 215 . 1 . 1 33 33 DG H2'' H 1 2.741 0.01 . 1 . . . . . 33 DG H2'' . 52355 3 216 . 1 . 1 33 33 DG H3' H 1 5.027 0.01 . 1 . . . . . 33 DG H3' . 52355 3 217 . 1 . 1 33 33 DG H8 H 1 7.817 0.01 . 1 . . . . . 33 DG H8 . 52355 3 218 . 1 . 1 33 33 DG P P 31 -4.297 0.05 . 1 . . . . . 33 DG P . 52355 3 219 . 1 . 1 34 34 DC H1' H 1 5.745 0.01 . 1 . . . . . 34 DC H1' . 52355 3 220 . 1 . 1 34 34 DC H2' H 1 1.941 0.01 . 1 . . . . . 34 DC H2' . 52355 3 221 . 1 . 1 34 34 DC H2'' H 1 2.371 0.01 . 1 . . . . . 34 DC H2'' . 52355 3 222 . 1 . 1 34 34 DC H3' H 1 4.851 0.01 . 1 . . . . . 34 DC H3' . 52355 3 223 . 1 . 1 34 34 DC H5 H 1 5.453 0.01 . 1 . . . . . 34 DC H5 . 52355 3 224 . 1 . 1 34 34 DC H6 H 1 7.346 0.01 . 1 . . . . . 34 DC H6 . 52355 3 225 . 1 . 1 34 34 DC H41 H 1 8.502 0.01 . 1 . . . . . 34 DC H41 . 52355 3 226 . 1 . 1 34 34 DC H42 H 1 6.669 0.01 . 1 . . . . . 34 DC H42 . 52355 3 227 . 1 . 1 34 34 DC P P 31 -4.113 0.05 . 1 . . . . . 34 DC P . 52355 3 228 . 1 . 1 35 35 DG H1' H 1 6.198 0.01 . 1 . . . . . 35 DG H1' . 52355 3 229 . 1 . 1 35 35 DG H2' H 1 2.646 0.01 . 1 . . . . . 35 DG H2' . 52355 3 230 . 1 . 1 35 35 DG H2'' H 1 2.386 0.01 . 1 . . . . . 35 DG H2'' . 52355 3 231 . 1 . 1 35 35 DG H3' H 1 4.712 0.01 . 1 . . . . . 35 DG H3' . 52355 3 232 . 1 . 1 35 35 DG H8 H 1 7.975 0.01 . 1 . . . . . 35 DG H8 . 52355 3 233 . 1 . 1 35 35 DG P P 31 -3.912 0.05 . 1 . . . . . 35 DG P . 52355 3 stop_ save_ save_assigned_chemical_shifts_4 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_4 _Assigned_chem_shift_list.Entry_ID 52355 _Assigned_chem_shift_list.ID 4 _Assigned_chem_shift_list.Name list_4 _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 4 '2D 1H-1H NOESY' . . . 52355 4 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52355 4 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 DC H1' H 1 5.796 0.01 . 1 . . . . . 1 DC H1' . 52355 4 2 . 1 . 1 1 1 DC H2' H 1 2.031 0.01 . 1 . . . . . 1 DC H2' . 52355 4 3 . 1 . 1 1 1 DC H2'' H 1 2.469 0.01 . 1 . . . . . 1 DC H2'' . 52355 4 4 . 1 . 1 1 1 DC H3' H 1 4.745 0.01 . 1 . . . . . 1 DC H3' . 52355 4 5 . 1 . 1 1 1 DC H5 H 1 5.968 0.01 . 1 . . . . . 1 DC H5 . 52355 4 6 . 1 . 1 1 1 DC H6 H 1 7.698 0.01 . 1 . . . . . 1 DC H6 . 52355 4 7 . 1 . 1 2 2 DG H1 H 1 13.134 0.01 . 1 . . . . . 2 DG H1 . 52355 4 8 . 1 . 1 2 2 DG H1' H 1 5.943 0.01 . 1 . . . . . 2 DG H1' . 52355 4 9 . 1 . 1 2 2 DG H2' H 1 2.731 0.01 . 1 . . . . . 2 DG H2' . 52355 4 10 . 1 . 1 2 2 DG H2'' H 1 2.765 0.01 . 1 . . . . . 2 DG H2'' . 52355 4 11 . 1 . 1 2 2 DG H3' H 1 5.017 0.01 . 1 . . . . . 2 DG H3' . 52355 4 12 . 1 . 1 2 2 DG H8 H 1 8.029 0.01 . 1 . . . . . 2 DG H8 . 52355 4 13 . 1 . 1 2 2 DG P P 31 -4.061 0.05 . 1 . . . . . 2 DG P . 52355 4 14 . 1 . 1 3 3 DC H1' H 1 6.047 0.01 . 1 . . . . . 3 DC H1' . 52355 4 15 . 1 . 1 3 3 DC H2' H 1 2.136 0.01 . 1 . . . . . 3 DC H2' . 52355 4 16 . 1 . 1 3 3 DC H2'' H 1 2.484 0.01 . 1 . . . . . 3 DC H2'' . 52355 4 17 . 1 . 1 3 3 DC H3' H 1 4.889 0.01 . 1 . . . . . 3 DC H3' . 52355 4 18 . 1 . 1 3 3 DC H5 H 1 5.459 0.01 . 1 . . . . . 3 DC H5 . 52355 4 19 . 1 . 1 3 3 DC H6 H 1 7.477 0.01 . 1 . . . . . 3 DC H6 . 52355 4 20 . 1 . 1 3 3 DC H41 H 1 8.200 0.01 . 1 . . . . . 3 DC H41 . 52355 4 21 . 1 . 1 3 3 DC H42 H 1 6.491 0.01 . 1 . . . . . 3 DC H42 . 52355 4 22 . 1 . 1 3 3 DC P P 31 -4.124 0.05 . 1 . . . . . 3 DC P . 52355 4 23 . 1 . 1 4 4 DC H1' H 1 5.583 0.01 . 1 . . . . . 4 DC H1' . 52355 4 24 . 1 . 1 4 4 DC H2' H 1 1.835 0.01 . 1 . . . . . 4 DC H2' . 52355 4 25 . 1 . 1 4 4 DC H2'' H 1 2.214 0.01 . 1 . . . . . 4 DC H2'' . 52355 4 26 . 1 . 1 4 4 DC H3' H 1 4.826 0.01 . 1 . . . . . 4 DC H3' . 52355 4 27 . 1 . 1 4 4 DC H5 H 1 5.619 0.01 . 1 . . . . . 4 DC H5 . 52355 4 28 . 1 . 1 4 4 DC H6 H 1 7.376 0.01 . 1 . . . . . 4 DC H6 . 52355 4 29 . 1 . 1 4 4 DC H41 H 1 8.492 0.01 . 1 . . . . . 4 DC H41 . 52355 4 30 . 1 . 1 4 4 DC H42 H 1 6.945 0.01 . 1 . . . . . 4 DC H42 . 52355 4 31 . 1 . 1 5 5 DG H1 H 1 12.900 0.01 . 1 . . . . . 5 DG H1 . 52355 4 32 . 1 . 1 5 5 DG H1' H 1 5.952 0.01 . 1 . . . . . 5 DG H1' . 52355 4 33 . 1 . 1 5 5 DG H3' H 1 4.981 0.01 . 1 . . . . . 5 DG H3' . 52355 4 34 . 1 . 1 6 6 DG H1' H 1 5.811 0.01 . 1 . . . . . 6 DG H1' . 52355 4 35 . 1 . 1 6 6 DG H2' H 1 3.037 0.01 . 2 . . . . . 6 DG H2' . 52355 4 36 . 1 . 1 6 6 DG H2'' H 1 3.209 0.01 . 2 . . . . . 6 DG H2'' . 52355 4 37 . 1 . 1 6 6 DG H3' H 1 5.242 0.01 . 1 . . . . . 6 DG H3' . 52355 4 38 . 1 . 1 6 6 DG H8 H 1 8.324 0.01 . 1 . . . . . 6 DG H8 . 52355 4 39 . 1 . 1 7 7 DG H1 H 1 11.424 0.01 . 1 . . . . . 7 DG H1 . 52355 4 40 . 1 . 1 7 7 DG H1' H 1 6.342 0.01 . 1 . . . . . 7 DG H1' . 52355 4 41 . 1 . 1 7 7 DG H2' H 1 3.178 0.01 . 2 . . . . . 7 DG H2' . 52355 4 42 . 1 . 1 7 7 DG H2'' H 1 3.017 0.01 . 2 . . . . . 7 DG H2'' . 52355 4 43 . 1 . 1 7 7 DG H3' H 1 4.954 0.01 . 1 . . . . . 7 DG H3' . 52355 4 44 . 1 . 1 7 7 DG H8 H 1 8.393 0.01 . 1 . . . . . 7 DG H8 . 52355 4 45 . 1 . 1 7 7 DG P P 31 -3.711 0.05 . 1 . . . . . 7 DG P . 52355 4 46 . 1 . 1 8 8 DG H1 H 1 12.765 0.01 . 1 . . . . . 8 DG H1 . 52355 4 47 . 1 . 1 8 8 DG H1' H 1 6.010 0.01 . 1 . . . . . 8 DG H1' . 52355 4 48 . 1 . 1 8 8 DG H2' H 1 2.547 0.01 . 2 . . . . . 8 DG H2' . 52355 4 49 . 1 . 1 8 8 DG H2'' H 1 2.811 0.01 . 2 . . . . . 8 DG H2'' . 52355 4 50 . 1 . 1 8 8 DG H3' H 1 4.870 0.01 . 1 . . . . . 8 DG H3' . 52355 4 51 . 1 . 1 8 8 DG H8 H 1 7.627 0.01 . 1 . . . . . 8 DG H8 . 52355 4 52 . 1 . 1 9 9 DT H1' H 1 6.105 0.01 . 1 . . . . . 9 DT H1' . 52355 4 53 . 1 . 1 9 9 DT H2' H 1 1.914 0.01 . 2 . . . . . 9 DT H2' . 52355 4 54 . 1 . 1 9 9 DT H2'' H 1 2.444 0.01 . 2 . . . . . 9 DT H2'' . 52355 4 55 . 1 . 1 9 9 DT H3 H 1 13.941 0.01 . 1 . . . . . 9 DT H3 . 52355 4 56 . 1 . 1 9 9 DT H3' H 1 4.807 0.01 . 1 . . . . . 9 DT H3' . 52355 4 57 . 1 . 1 9 9 DT H6 H 1 7.484 0.01 . 1 . . . . . 9 DT H6 . 52355 4 58 . 1 . 1 9 9 DT H71 H 1 1.290 0.01 . 3 . . . . . 9 DT H71 . 52355 4 59 . 1 . 1 9 9 DT H72 H 1 1.290 0.01 . 3 . . . . . 9 DT H72 . 52355 4 60 . 1 . 1 9 9 DT H73 H 1 1.290 0.01 . 3 . . . . . 9 DT H73 . 52355 4 61 . 1 . 1 10 10 DC H1' H 1 6.017 0.01 . 1 . . . . . 10 DC H1' . 52355 4 62 . 1 . 1 10 10 DC H2' H 1 1.760 0.01 . 1 . . . . . 10 DC H2' . 52355 4 63 . 1 . 1 10 10 DC H2'' H 1 2.254 0.01 . 1 . . . . . 10 DC H2'' . 52355 4 64 . 1 . 1 10 10 DC H3' H 1 4.839 0.01 . 1 . . . . . 10 DC H3' . 52355 4 65 . 1 . 1 10 10 DC H5 H 1 5.440 0.01 . 1 . . . . . 10 DC H5 . 52355 4 66 . 1 . 1 10 10 DC H6 H 1 7.225 0.01 . 1 . . . . . 10 DC H6 . 52355 4 67 . 1 . 1 10 10 DC H41 H 1 8.495 0.01 . 1 . . . . . 10 DC H41 . 52355 4 68 . 1 . 1 10 10 DC H42 H 1 7.146 0.01 . 1 . . . . . 10 DC H42 . 52355 4 69 . 1 . 1 11 11 DG H1' H 1 5.342 0.01 . 1 . . . . . 11 DG H1' . 52355 4 70 . 1 . 1 11 11 DG H2' H 1 2.708 0.01 . 1 . . . . . 11 DG H2' . 52355 4 71 . 1 . 1 11 11 DG H2'' H 1 2.566 0.01 . 1 . . . . . 11 DG H2'' . 52355 4 72 . 1 . 1 11 11 DG H3' H 1 4.927 0.01 . 1 . . . . . 11 DG H3' . 52355 4 73 . 1 . 1 11 11 DG H8 H 1 8.139 0.01 . 1 . . . . . 11 DG H8 . 52355 4 74 . 1 . 1 12 12 DA H1' H 1 5.969 0.01 . 1 . . . . . 12 DA H1' . 52355 4 75 . 1 . 1 12 12 DA H2' H 1 2.253 0.01 . 1 . . . . . 12 DA H2' . 52355 4 76 . 1 . 1 12 12 DA H2'' H 1 2.326 0.01 . 1 . . . . . 12 DA H2'' . 52355 4 77 . 1 . 1 12 12 DA H3' H 1 4.577 0.01 . 1 . . . . . 12 DA H3' . 52355 4 78 . 1 . 1 12 12 DA H5' H 1 3.401 0.01 . 2 . . . . . 12 DA H5' . 52355 4 79 . 1 . 1 12 12 DA H5'' H 1 3.095 0.01 . 2 . . . . . 12 DA H5'' . 52355 4 80 . 1 . 1 12 12 DA H8 H 1 8.137 0.01 . 1 . . . . . 12 DA H8 . 52355 4 81 . 1 . 1 13 13 DA H1' H 1 6.285 0.01 . 1 . . . . . 13 DA H1' . 52355 4 82 . 1 . 1 13 13 DA H2 H 1 8.069 0.01 . 1 . . . . . 13 DA H2 . 52355 4 83 . 1 . 1 13 13 DA H2' H 1 2.726 0.01 . 2 . . . . . 13 DA H2' . 52355 4 84 . 1 . 1 13 13 DA H2'' H 1 2.866 0.01 . 2 . . . . . 13 DA H2'' . 52355 4 85 . 1 . 1 13 13 DA H3' H 1 5.085 0.01 . 1 . . . . . 13 DA H3' . 52355 4 86 . 1 . 1 13 13 DA H8 H 1 8.268 0.01 . 1 . . . . . 13 DA H8 . 52355 4 87 . 1 . 1 14 14 DG H1 H 1 12.986 0.01 . 1 . . . . . 14 DG H1 . 52355 4 88 . 1 . 1 14 14 DG H1' H 1 5.034 0.01 . 1 . . . . . 14 DG H1' . 52355 4 89 . 1 . 1 14 14 DG H2' H 1 2.643 0.01 . 1 . . . . . 14 DG H2' . 52355 4 90 . 1 . 1 14 14 DG H2'' H 1 2.543 0.01 . 1 . . . . . 14 DG H2'' . 52355 4 91 . 1 . 1 14 14 DG H3' H 1 4.902 0.01 . 1 . . . . . 14 DG H3' . 52355 4 92 . 1 . 1 14 14 DG H8 H 1 8.070 0.01 . 1 . . . . . 14 DG H8 . 52355 4 93 . 1 . 1 15 15 DA H1' H 1 6.269 0.01 . 1 . . . . . 15 DA H1' . 52355 4 94 . 1 . 1 15 15 DA H2 H 1 8.045 0.01 . 1 . . . . . 15 DA H2 . 52355 4 95 . 1 . 1 15 15 DA H2' H 1 2.583 0.01 . 1 . . . . . 15 DA H2' . 52355 4 96 . 1 . 1 15 15 DA H2'' H 1 2.812 0.01 . 1 . . . . . 15 DA H2'' . 52355 4 97 . 1 . 1 15 15 DA H3' H 1 5.031 0.01 . 1 . . . . . 15 DA H3' . 52355 4 98 . 1 . 1 15 15 DA H8 H 1 8.182 0.01 . 1 . . . . . 15 DA H8 . 52355 4 99 . 1 . 1 15 15 DA P P 31 -3.502 0.05 . 1 . . . . . 15 DA P . 52355 4 100 . 1 . 1 16 16 DC H1' H 1 5.882 0.01 . 1 . . . . . 16 DC H1' . 52355 4 101 . 1 . 1 16 16 DC H2' H 1 1.924 0.01 . 1 . . . . . 16 DC H2' . 52355 4 102 . 1 . 1 16 16 DC H2'' H 1 2.324 0.01 . 1 . . . . . 16 DC H2'' . 52355 4 103 . 1 . 1 16 16 DC H3' H 1 4.785 0.01 . 1 . . . . . 16 DC H3' . 52355 4 104 . 1 . 1 16 16 DC H5 H 1 5.020 0.01 . 1 . . . . . 16 DC H5 . 52355 4 105 . 1 . 1 16 16 DC H6 H 1 7.217 0.01 . 1 . . . . . 16 DC H6 . 52355 4 106 . 1 . 1 16 16 DC H41 H 1 8.140 0.01 . 1 . . . . . 16 DC H41 . 52355 4 107 . 1 . 1 16 16 DC H42 H 1 6.628 0.01 . 1 . . . . . 16 DC H42 . 52355 4 108 . 1 . 1 17 17 DT H1' H 1 5.462 0.01 . 1 . . . . . 17 DT H1' . 52355 4 109 . 1 . 1 17 17 DT H2' H 1 0.652 0.01 . 1 . . . . . 17 DT H2' . 52355 4 110 . 1 . 1 17 17 DT H2'' H 1 1.668 0.01 . 1 . . . . . 17 DT H2'' . 52355 4 111 . 1 . 1 17 17 DT H3 H 1 10.914 0.01 . 1 . . . . . 17 DT H3 . 52355 4 112 . 1 . 1 17 17 DT H3' H 1 4.420 0.01 . 1 . . . . . 17 DT H3' . 52355 4 113 . 1 . 1 17 17 DT H5' H 1 4.121 0.01 . 2 . . . . . 17 DT H5' . 52355 4 114 . 1 . 1 17 17 DT H5'' H 1 3.726 0.01 . 2 . . . . . 17 DT H5'' . 52355 4 115 . 1 . 1 17 17 DT H6 H 1 7.000 0.01 . 1 . . . . . 17 DT H6 . 52355 4 116 . 1 . 1 17 17 DT H71 H 1 1.306 0.01 . 3 . . . . . 17 DT H71 . 52355 4 117 . 1 . 1 17 17 DT H72 H 1 1.306 0.01 . 3 . . . . . 17 DT H72 . 52355 4 118 . 1 . 1 17 17 DT H73 H 1 1.306 0.01 . 3 . . . . . 17 DT H73 . 52355 4 119 . 1 . 1 17 17 DT P P 31 -4.873 0.05 . 1 . . . . . 17 DT P . 52355 4 120 . 1 . 1 18 18 DG H1' H 1 5.464 0.01 . 1 . . . . . 18 DG H1' . 52355 4 121 . 1 . 1 18 18 DG H2' H 1 2.826 0.01 . 1 . . . . . 18 DG H2' . 52355 4 122 . 1 . 1 18 18 DG H2'' H 1 2.544 0.01 . 1 . . . . . 18 DG H2'' . 52355 4 123 . 1 . 1 18 18 DG H3' H 1 4.965 0.01 . 1 . . . . . 18 DG H3' . 52355 4 124 . 1 . 1 18 18 DG H8 H 1 7.973 0.01 . 1 . . . . . 18 DG H8 . 52355 4 125 . 1 . 1 19 19 DC H1' H 1 6.057 0.01 . 1 . . . . . 19 DC H1' . 52355 4 126 . 1 . 1 19 19 DC H2' H 1 1.993 0.01 . 1 . . . . . 19 DC H2' . 52355 4 127 . 1 . 1 19 19 DC H2'' H 1 2.343 0.01 . 1 . . . . . 19 DC H2'' . 52355 4 128 . 1 . 1 19 19 DC H3' H 1 4.887 0.01 . 1 . . . . . 19 DC H3' . 52355 4 129 . 1 . 1 19 19 DC H5 H 1 5.775 0.01 . 1 . . . . . 19 DC H5 . 52355 4 130 . 1 . 1 19 19 DC H6 H 1 7.561 0.01 . 1 . . . . . 19 DC H6 . 52355 4 131 . 1 . 1 19 19 DC H41 H 1 7.862 0.01 . 1 . . . . . 19 DC H41 . 52355 4 132 . 1 . 1 19 19 DC H42 H 1 6.663 0.01 . 1 . . . . . 19 DC H42 . 52355 4 133 . 1 . 1 20 20 DC H1' H 1 6.467 0.01 . 1 . . . . . 20 DC H1' . 52355 4 134 . 1 . 1 20 20 DC H2' H 1 2.725 0.01 . 2 . . . . . 20 DC H2' . 52355 4 135 . 1 . 1 20 20 DC H2'' H 1 2.778 0.01 . 2 . . . . . 20 DC H2'' . 52355 4 136 . 1 . 1 20 20 DC H3' H 1 5.137 0.01 . 1 . . . . . 20 DC H3' . 52355 4 137 . 1 . 1 20 20 DC H5 H 1 5.850 0.01 . 1 . . . . . 20 DC H5 . 52355 4 138 . 1 . 1 20 20 DC H5'' H 1 4.092 0.01 . 2 . . . . . 20 DC H5'' . 52355 4 139 . 1 . 1 20 20 DC H6 H 1 7.832 0.01 . 1 . . . . . 20 DC H6 . 52355 4 140 . 1 . 1 20 20 DC H41 H 1 8.931 0.01 . 1 . . . . . 20 DC H41 . 52355 4 141 . 1 . 1 20 20 DC H42 H 1 7.067 0.01 . 1 . . . . . 20 DC H42 . 52355 4 142 . 1 . 1 21 21 DA H1' H 1 6.315 0.01 . 1 . . . . . 21 DA H1' . 52355 4 143 . 1 . 1 21 21 DA H2 H 1 8.181 0.01 . 1 . . . . . 21 DA H2 . 52355 4 144 . 1 . 1 21 21 DA H2' H 1 2.090 0.01 . 1 . . . . . 21 DA H2' . 52355 4 145 . 1 . 1 21 21 DA H2'' H 1 2.780 0.01 . 1 . . . . . 21 DA H2'' . 52355 4 146 . 1 . 1 21 21 DA H3' H 1 5.186 0.01 . 1 . . . . . 21 DA H3' . 52355 4 147 . 1 . 1 21 21 DA H4' H 1 4.361 0.01 . 1 . . . . . 21 DA H4' . 52355 4 148 . 1 . 1 21 21 DA H5' H 1 4.443 0.01 . 2 . . . . . 21 DA H5' . 52355 4 149 . 1 . 1 21 21 DA H5'' H 1 4.200 0.01 . 2 . . . . . 21 DA H5'' . 52355 4 150 . 1 . 1 21 21 DA H8 H 1 7.942 0.01 . 1 . . . . . 21 DA H8 . 52355 4 151 . 1 . 1 22 22 DG H1' H 1 5.950 0.01 . 1 . . . . . 22 DG H1' . 52355 4 152 . 1 . 1 22 22 DG H2' H 1 2.464 0.01 . 2 . . . . . 22 DG H2' . 52355 4 153 . 1 . 1 22 22 DG H2'' H 1 2.540 0.01 . 2 . . . . . 22 DG H2'' . 52355 4 154 . 1 . 1 22 22 DG H3' H 1 4.689 0.01 . 1 . . . . . 22 DG H3' . 52355 4 155 . 1 . 1 22 22 DG H8 H 1 7.994 0.01 . 1 . . . . . 22 DG H8 . 52355 4 156 . 1 . 1 23 23 DC H1' H 1 5.507 0.01 . 1 . . . . . 23 DC H1' . 52355 4 157 . 1 . 1 23 23 DC H2' H 1 1.825 0.01 . 1 . . . . . 23 DC H2' . 52355 4 158 . 1 . 1 23 23 DC H2'' H 1 2.297 0.01 . 1 . . . . . 23 DC H2'' . 52355 4 159 . 1 . 1 23 23 DC H3' H 1 4.476 0.01 . 1 . . . . . 23 DC H3' . 52355 4 160 . 1 . 1 23 23 DC H5 H 1 6.226 0.01 . 1 . . . . . 23 DC H5 . 52355 4 161 . 1 . 1 23 23 DC H6 H 1 7.656 0.01 . 1 . . . . . 23 DC H6 . 52355 4 162 . 1 . 1 23 23 DC P P 31 -3.502 0.05 . 1 . . . . . 23 DC P . 52355 4 163 . 1 . 1 24 24 DG H1 H 1 13.164 0.01 . 1 . . . . . 24 DG H1 . 52355 4 164 . 1 . 1 24 24 DG H1' H 1 5.660 0.01 . 1 . . . . . 24 DG H1' . 52355 4 165 . 1 . 1 24 24 DG H2' H 1 2.633 0.01 . 1 . . . . . 24 DG H2' . 52355 4 166 . 1 . 1 24 24 DG H2'' H 1 2.845 0.01 . 1 . . . . . 24 DG H2'' . 52355 4 167 . 1 . 1 24 24 DG H3' H 1 4.740 0.01 . 1 . . . . . 24 DG H3' . 52355 4 168 . 1 . 1 24 24 DG H4' H 1 4.287 0.01 . 1 . . . . . 24 DG H4' . 52355 4 169 . 1 . 1 24 24 DG H5' H 1 3.851 0.01 . 2 . . . . . 24 DG H5' . 52355 4 170 . 1 . 1 24 24 DG H5'' H 1 3.594 0.01 . 2 . . . . . 24 DG H5'' . 52355 4 171 . 1 . 1 24 24 DG H8 H 1 7.735 0.01 . 1 . . . . . 24 DG H8 . 52355 4 172 . 1 . 1 24 24 DG P P 31 -3.905 0.05 . 1 . . . . . 24 DG P . 52355 4 173 . 1 . 1 25 25 DG H1' H 1 5.343 0.01 . 1 . . . . . 25 DG H1' . 52355 4 174 . 1 . 1 25 25 DG H2' H 1 2.461 0.01 . 1 . . . . . 25 DG H2' . 52355 4 175 . 1 . 1 25 25 DG H2'' H 1 2.401 0.01 . 1 . . . . . 25 DG H2'' . 52355 4 176 . 1 . 1 25 25 DG H3' H 1 4.815 0.01 . 1 . . . . . 25 DG H3' . 52355 4 177 . 1 . 1 25 25 DG H8 H 1 7.764 0.01 . 1 . . . . . 25 DG H8 . 52355 4 178 . 1 . 1 26 26 DC H1' H 1 6.078 0.01 . 1 . . . . . 26 DC H1' . 52355 4 179 . 1 . 1 26 26 DC H2' H 1 2.201 0.01 . 2 . . . . . 26 DC H2' . 52355 4 180 . 1 . 1 26 26 DC H2'' H 1 2.464 0.01 . 2 . . . . . 26 DC H2'' . 52355 4 181 . 1 . 1 26 26 DC H3' H 1 4.715 0.01 . 1 . . . . . 26 DC H3' . 52355 4 182 . 1 . 1 26 26 DC H5 H 1 5.603 0.01 . 1 . . . . . 26 DC H5 . 52355 4 183 . 1 . 1 26 26 DC H6 H 1 7.432 0.01 . 1 . . . . . 26 DC H6 . 52355 4 184 . 1 . 1 26 26 DC H41 H 1 8.175 0.01 . 1 . . . . . 26 DC H41 . 52355 4 185 . 1 . 1 26 26 DC H42 H 1 6.774 0.01 . 1 . . . . . 26 DC H42 . 52355 4 186 . 1 . 1 27 27 DT H1' H 1 6.047 0.01 . 1 . . . . . 27 DT H1' . 52355 4 187 . 1 . 1 27 27 DT H2' H 1 1.732 0.01 . 1 . . . . . 27 DT H2' . 52355 4 188 . 1 . 1 27 27 DT H2'' H 1 2.308 0.01 . 1 . . . . . 27 DT H2'' . 52355 4 189 . 1 . 1 27 27 DT H3' H 1 4.607 0.01 . 1 . . . . . 27 DT H3' . 52355 4 190 . 1 . 1 27 27 DT H6 H 1 7.296 0.01 . 1 . . . . . 27 DT H6 . 52355 4 191 . 1 . 1 27 27 DT H71 H 1 1.657 0.01 . 3 . . . . . 27 DT H71 . 52355 4 192 . 1 . 1 27 27 DT H72 H 1 1.657 0.01 . 3 . . . . . 27 DT H72 . 52355 4 193 . 1 . 1 27 27 DT H73 H 1 1.657 0.01 . 3 . . . . . 27 DT H73 . 52355 4 194 . 1 . 1 28 28 DC H1' H 1 5.976 0.01 . 1 . . . . . 28 DC H1' . 52355 4 195 . 1 . 1 28 28 DC H2' H 1 2.134 0.01 . 2 . . . . . 28 DC H2' . 52355 4 196 . 1 . 1 28 28 DC H2'' H 1 2.350 0.01 . 2 . . . . . 28 DC H2'' . 52355 4 197 . 1 . 1 28 28 DC H5 H 1 5.576 0.01 . 1 . . . . . 28 DC H5 . 52355 4 198 . 1 . 1 28 28 DC H6 H 1 7.333 0.01 . 1 . . . . . 28 DC H6 . 52355 4 199 . 1 . 1 28 28 DC H41 H 1 8.698 0.01 . 1 . . . . . 28 DC H41 . 52355 4 200 . 1 . 1 28 28 DC H42 H 1 7.340 0.01 . 1 . . . . . 28 DC H42 . 52355 4 201 . 1 . 1 29 29 DG H3' H 1 4.989 0.01 . 1 . . . . . 29 DG H3' . 52355 4 202 . 1 . 1 29 29 DG H8 H 1 8.142 0.01 . 1 . . . . . 29 DG H8 . 52355 4 203 . 1 . 1 30 30 DA H2 H 1 8.415 0.01 . 1 . . . . . 30 DA H2 . 52355 4 204 . 1 . 1 30 30 DA H3' H 1 4.693 0.01 . 1 . . . . . 30 DA H3' . 52355 4 205 . 1 . 1 30 30 DA H4' H 1 3.345 0.01 . 1 . . . . . 30 DA H4' . 52355 4 206 . 1 . 1 30 30 DA H5' H 1 3.951 0.01 . 2 . . . . . 30 DA H5' . 52355 4 207 . 1 . 1 30 30 DA H5'' H 1 3.661 0.01 . 2 . . . . . 30 DA H5'' . 52355 4 208 . 1 . 1 30 30 DA H8 H 1 8.145 0.01 . 1 . . . . . 30 DA H8 . 52355 4 209 . 1 . 1 30 30 DA P P 31 -2.680 0.05 . 1 . . . . . 30 DA P . 52355 4 210 . 1 . 1 31 31 DC H2' H 1 2.134 0.01 . 1 . . . . . 31 DC H2' . 52355 4 211 . 1 . 1 31 31 DC H2'' H 1 2.309 0.01 . 1 . . . . . 31 DC H2'' . 52355 4 212 . 1 . 1 31 31 DC H3' H 1 4.801 0.01 . 1 . . . . . 31 DC H3' . 52355 4 213 . 1 . 1 31 31 DC H5 H 1 5.668 0.01 . 1 . . . . . 31 DC H5 . 52355 4 214 . 1 . 1 31 31 DC H6 H 1 7.399 0.01 . 1 . . . . . 31 DC H6 . 52355 4 215 . 1 . 1 31 31 DC H41 H 1 8.470 0.01 . 1 . . . . . 31 DC H41 . 52355 4 216 . 1 . 1 31 31 DC H42 H 1 7.020 0.01 . 1 . . . . . 31 DC H42 . 52355 4 217 . 1 . 1 32 32 DG H1 H 1 13.240 0.01 . 1 . . . . . 32 DG H1 . 52355 4 218 . 1 . 1 32 32 DG H1' H 1 5.717 0.01 . 1 . . . . . 32 DG H1' . 52355 4 219 . 1 . 1 32 32 DG H2' H 1 2.709 0.01 . 1 . . . . . 32 DG H2' . 52355 4 220 . 1 . 1 32 32 DG H2'' H 1 2.820 0.01 . 1 . . . . . 32 DG H2'' . 52355 4 221 . 1 . 1 32 32 DG H3' H 1 5.043 0.01 . 1 . . . . . 32 DG H3' . 52355 4 222 . 1 . 1 32 32 DG H8 H 1 7.879 0.01 . 1 . . . . . 32 DG H8 . 52355 4 223 . 1 . 1 33 33 DG H1 H 1 13.082 0.01 . 1 . . . . . 33 DG H1 . 52355 4 224 . 1 . 1 33 33 DG H1' H 1 5.872 0.01 . 1 . . . . . 33 DG H1' . 52355 4 225 . 1 . 1 33 33 DG H2' H 1 2.596 0.01 . 1 . . . . . 33 DG H2' . 52355 4 226 . 1 . 1 33 33 DG H2'' H 1 2.718 0.01 . 1 . . . . . 33 DG H2'' . 52355 4 227 . 1 . 1 33 33 DG H3' H 1 5.019 0.01 . 1 . . . . . 33 DG H3' . 52355 4 228 . 1 . 1 33 33 DG H8 H 1 7.825 0.01 . 1 . . . . . 33 DG H8 . 52355 4 229 . 1 . 1 33 33 DG P P 31 -4.194 0.05 . 1 . . . . . 33 DG P . 52355 4 230 . 1 . 1 34 34 DC H1' H 1 5.768 0.01 . 1 . . . . . 34 DC H1' . 52355 4 231 . 1 . 1 34 34 DC H2' H 1 1.942 0.01 . 1 . . . . . 34 DC H2' . 52355 4 232 . 1 . 1 34 34 DC H2'' H 1 2.377 0.01 . 1 . . . . . 34 DC H2'' . 52355 4 233 . 1 . 1 34 34 DC H3' H 1 4.841 0.01 . 1 . . . . . 34 DC H3' . 52355 4 234 . 1 . 1 34 34 DC H5 H 1 5.450 0.01 . 1 . . . . . 34 DC H5 . 52355 4 235 . 1 . 1 34 34 DC H6 H 1 7.346 0.01 . 1 . . . . . 34 DC H6 . 52355 4 236 . 1 . 1 34 34 DC H41 H 1 8.462 0.01 . 1 . . . . . 34 DC H41 . 52355 4 237 . 1 . 1 34 34 DC H42 H 1 6.670 0.01 . 1 . . . . . 34 DC H42 . 52355 4 238 . 1 . 1 34 34 DC P P 31 -4.044 0.05 . 1 . . . . . 34 DC P . 52355 4 239 . 1 . 1 35 35 DG H1' H 1 6.189 0.01 . 1 . . . . . 35 DG H1' . 52355 4 240 . 1 . 1 35 35 DG H2' H 1 2.637 0.01 . 1 . . . . . 35 DG H2' . 52355 4 241 . 1 . 1 35 35 DG H2'' H 1 2.380 0.01 . 1 . . . . . 35 DG H2'' . 52355 4 242 . 1 . 1 35 35 DG H3' H 1 4.704 0.01 . 1 . . . . . 35 DG H3' . 52355 4 243 . 1 . 1 35 35 DG H8 H 1 7.970 0.01 . 1 . . . . . 35 DG H8 . 52355 4 244 . 1 . 1 35 35 DG P P 31 -3.942 0.05 . 1 . . . . . 35 DG P . 52355 4 stop_ save_ save_assigned_chemical_shifts_5 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_5 _Assigned_chem_shift_list.Entry_ID 52355 _Assigned_chem_shift_list.ID 5 _Assigned_chem_shift_list.Name list_5 _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 5 '2D 1H-1H NOESY' . . . 52355 5 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52355 5 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 DC H1' H 1 5.764 0.01 . 1 . . . . . 1 DC H1' . 52355 5 2 . 1 . 1 1 1 DC H2' H 1 1.991 0.01 . 1 . . . . . 1 DC H2' . 52355 5 3 . 1 . 1 1 1 DC H2'' H 1 2.442 0.01 . 1 . . . . . 1 DC H2'' . 52355 5 4 . 1 . 1 1 1 DC H3' H 1 4.727 0.01 . 1 . . . . . 1 DC H3' . 52355 5 5 . 1 . 1 1 1 DC H4' H 1 4.090 0.01 . 1 . . . . . 1 DC H4' . 52355 5 6 . 1 . 1 1 1 DC H5 H 1 5.929 0.01 . 1 . . . . . 1 DC H5 . 52355 5 7 . 1 . 1 1 1 DC H6 H 1 7.659 0.01 . 1 . . . . . 1 DC H6 . 52355 5 8 . 1 . 1 2 2 DG H1 H 1 13.100 0.01 . 1 . . . . . 2 DG H1 . 52355 5 9 . 1 . 1 2 2 DG H1' H 1 5.920 0.01 . 1 . . . . . 2 DG H1' . 52355 5 10 . 1 . 1 2 2 DG H2' H 1 2.729 0.01 . 1 . . . . . 2 DG H2' . 52355 5 11 . 1 . 1 2 2 DG H2'' H 1 2.749 0.01 . 1 . . . . . 2 DG H2'' . 52355 5 12 . 1 . 1 2 2 DG H3' H 1 5.011 0.01 . 1 . . . . . 2 DG H3' . 52355 5 13 . 1 . 1 2 2 DG H4' H 1 4.390 0.01 . 1 . . . . . 2 DG H4' . 52355 5 14 . 1 . 1 2 2 DG H8 H 1 8.013 0.01 . 1 . . . . . 2 DG H8 . 52355 5 15 . 1 . 1 2 2 DG P P 31 -4.077 0.05 . 1 . . . . . 2 DG P . 52355 5 16 . 1 . 1 3 3 DC H1' H 1 6.035 0.01 . 1 . . . . . 3 DC H1' . 52355 5 17 . 1 . 1 3 3 DC H2' H 1 2.143 0.01 . 1 . . . . . 3 DC H2' . 52355 5 18 . 1 . 1 3 3 DC H2'' H 1 2.469 0.01 . 1 . . . . . 3 DC H2'' . 52355 5 19 . 1 . 1 3 3 DC H3' H 1 4.886 0.01 . 1 . . . . . 3 DC H3' . 52355 5 20 . 1 . 1 3 3 DC H4' H 1 4.288 0.01 . 1 . . . . . 3 DC H4' . 52355 5 21 . 1 . 1 3 3 DC H5 H 1 5.463 0.01 . 1 . . . . . 3 DC H5 . 52355 5 22 . 1 . 1 3 3 DC H6 H 1 7.479 0.01 . 1 . . . . . 3 DC H6 . 52355 5 23 . 1 . 1 3 3 DC H41 H 1 8.186 0.01 . 1 . . . . . 3 DC H41 . 52355 5 24 . 1 . 1 3 3 DC H42 H 1 6.429 0.01 . 1 . . . . . 3 DC H42 . 52355 5 25 . 1 . 1 3 3 DC P P 31 -4.188 0.05 . 1 . . . . . 3 DC P . 52355 5 26 . 1 . 1 4 4 DC H1' H 1 5.600 0.01 . 1 . . . . . 4 DC H1' . 52355 5 27 . 1 . 1 4 4 DC H2' H 1 1.787 0.01 . 1 . . . . . 4 DC H2' . 52355 5 28 . 1 . 1 4 4 DC H2'' H 1 2.185 0.01 . 1 . . . . . 4 DC H2'' . 52355 5 29 . 1 . 1 4 4 DC H3' H 1 4.815 0.01 . 1 . . . . . 4 DC H3' . 52355 5 30 . 1 . 1 4 4 DC H4' H 1 4.093 0.01 . 1 . . . . . 4 DC H4' . 52355 5 31 . 1 . 1 4 4 DC H5 H 1 5.612 0.01 . 1 . . . . . 4 DC H5 . 52355 5 32 . 1 . 1 4 4 DC H6 H 1 7.340 0.01 . 1 . . . . . 4 DC H6 . 52355 5 33 . 1 . 1 4 4 DC H41 H 1 8.493 0.01 . 1 . . . . . 4 DC H41 . 52355 5 34 . 1 . 1 4 4 DC H42 H 1 6.899 0.01 . 1 . . . . . 4 DC H42 . 52355 5 35 . 1 . 1 4 4 DC P P 31 -4.098 0.05 . 1 . . . . . 4 DC P . 52355 5 36 . 1 . 1 5 5 DG H1 H 1 12.909 0.01 . 1 . . . . . 5 DG H1 . 52355 5 37 . 1 . 1 5 5 DG H1' H 1 5.956 0.01 . 1 . . . . . 5 DG H1' . 52355 5 38 . 1 . 1 5 5 DG H2' H 1 2.157 0.01 . 1 . . . . . 5 DG H2' . 52355 5 39 . 1 . 1 5 5 DG H2'' H 1 2.428 0.01 . 1 . . . . . 5 DG H2'' . 52355 5 40 . 1 . 1 5 5 DG H3' H 1 4.966 0.01 . 1 . . . . . 5 DG H3' . 52355 5 41 . 1 . 1 5 5 DG H8 H 1 7.432 0.01 . 1 . . . . . 5 DG H8 . 52355 5 42 . 1 . 1 5 5 DG P P 31 -4.076 0.05 . 1 . . . . . 5 DG P . 52355 5 43 . 1 . 1 6 6 DG H1' H 1 5.712 0.01 . 1 . . . . . 6 DG H1' . 52355 5 44 . 1 . 1 6 6 DG H2' H 1 3.128 0.01 . 2 . . . . . 6 DG H2' . 52355 5 45 . 1 . 1 6 6 DG H2'' H 1 3.136 0.01 . 2 . . . . . 6 DG H2'' . 52355 5 46 . 1 . 1 6 6 DG H3' H 1 5.256 0.01 . 1 . . . . . 6 DG H3' . 52355 5 47 . 1 . 1 6 6 DG H8 H 1 8.295 0.01 . 1 . . . . . 6 DG H8 . 52355 5 48 . 1 . 1 6 6 DG P P 31 -4.794 0.05 . 1 . . . . . 6 DG P . 52355 5 49 . 1 . 1 7 7 DG H1 H 1 11.663 0.01 . 1 . . . . . 7 DG H1 . 52355 5 50 . 1 . 1 7 7 DG H1' H 1 6.398 0.01 . 1 . . . . . 7 DG H1' . 52355 5 51 . 1 . 1 7 7 DG H2' H 1 3.241 0.01 . 2 . . . . . 7 DG H2' . 52355 5 52 . 1 . 1 7 7 DG H2'' H 1 3.008 0.01 . 2 . . . . . 7 DG H2'' . 52355 5 53 . 1 . 1 7 7 DG H3' H 1 4.887 0.01 . 1 . . . . . 7 DG H3' . 52355 5 54 . 1 . 1 7 7 DG H8 H 1 8.444 0.01 . 1 . . . . . 7 DG H8 . 52355 5 55 . 1 . 1 7 7 DG P P 31 -3.901 0.05 . 1 . . . . . 7 DG P . 52355 5 56 . 1 . 1 8 8 DG H1 H 1 12.760 0.01 . 1 . . . . . 8 DG H1 . 52355 5 57 . 1 . 1 8 8 DG H1' H 1 6.009 0.01 . 1 . . . . . 8 DG H1' . 52355 5 58 . 1 . 1 8 8 DG H2' H 1 2.565 0.01 . 2 . . . . . 8 DG H2' . 52355 5 59 . 1 . 1 8 8 DG H2'' H 1 2.832 0.01 . 2 . . . . . 8 DG H2'' . 52355 5 60 . 1 . 1 8 8 DG H3' H 1 4.895 0.01 . 1 . . . . . 8 DG H3' . 52355 5 61 . 1 . 1 8 8 DG H8 H 1 7.770 0.01 . 1 . . . . . 8 DG H8 . 52355 5 62 . 1 . 1 8 8 DG P P 31 -4.101 0.05 . 1 . . . . . 8 DG P . 52355 5 63 . 1 . 1 9 9 DT H1' H 1 6.062 0.01 . 1 . . . . . 9 DT H1' . 52355 5 64 . 1 . 1 9 9 DT H2' H 1 1.851 0.01 . 2 . . . . . 9 DT H2' . 52355 5 65 . 1 . 1 9 9 DT H2'' H 1 2.424 0.01 . 2 . . . . . 9 DT H2'' . 52355 5 66 . 1 . 1 9 9 DT H3 H 1 13.901 0.01 . 1 . . . . . 9 DT H3 . 52355 5 67 . 1 . 1 9 9 DT H3' H 1 4.779 0.01 . 1 . . . . . 9 DT H3' . 52355 5 68 . 1 . 1 9 9 DT H6 H 1 7.437 0.01 . 1 . . . . . 9 DT H6 . 52355 5 69 . 1 . 1 9 9 DT H71 H 1 1.394 0.01 . 3 . . . . . 9 DT H71 . 52355 5 70 . 1 . 1 9 9 DT H72 H 1 1.394 0.01 . 3 . . . . . 9 DT H72 . 52355 5 71 . 1 . 1 9 9 DT H73 H 1 1.394 0.01 . 3 . . . . . 9 DT H73 . 52355 5 72 . 1 . 1 9 9 DT P P 31 -4.343 0.05 . 1 . . . . . 9 DT P . 52355 5 73 . 1 . 1 10 10 DC H1' H 1 6.015 0.01 . 1 . . . . . 10 DC H1' . 52355 5 74 . 1 . 1 10 10 DC H2' H 1 1.741 0.01 . 1 . . . . . 10 DC H2' . 52355 5 75 . 1 . 1 10 10 DC H2'' H 1 2.248 0.01 . 1 . . . . . 10 DC H2'' . 52355 5 76 . 1 . 1 10 10 DC H5 H 1 5.454 0.01 . 1 . . . . . 10 DC H5 . 52355 5 77 . 1 . 1 10 10 DC H6 H 1 7.222 0.01 . 1 . . . . . 10 DC H6 . 52355 5 78 . 1 . 1 10 10 DC H41 H 1 8.500 0.01 . 1 . . . . . 10 DC H41 . 52355 5 79 . 1 . 1 10 10 DC H42 H 1 7.128 0.01 . 1 . . . . . 10 DC H42 . 52355 5 80 . 1 . 1 10 10 DC P P 31 -4.522 0.05 . 1 . . . . . 10 DC P . 52355 5 81 . 1 . 1 11 11 DG H1' H 1 5.339 0.01 . 1 . . . . . 11 DG H1' . 52355 5 82 . 1 . 1 11 11 DG H2' H 1 2.697 0.01 . 1 . . . . . 11 DG H2' . 52355 5 83 . 1 . 1 11 11 DG H2'' H 1 2.558 0.01 . 1 . . . . . 11 DG H2'' . 52355 5 84 . 1 . 1 11 11 DG H3' H 1 4.940 0.01 . 1 . . . . . 11 DG H3' . 52355 5 85 . 1 . 1 11 11 DG H8 H 1 8.125 0.01 . 1 . . . . . 11 DG H8 . 52355 5 86 . 1 . 1 12 12 DA H1' H 1 5.978 0.01 . 1 . . . . . 12 DA H1' . 52355 5 87 . 1 . 1 12 12 DA H2' H 1 2.261 0.01 . 1 . . . . . 12 DA H2' . 52355 5 88 . 1 . 1 12 12 DA H2'' H 1 2.322 0.01 . 1 . . . . . 12 DA H2'' . 52355 5 89 . 1 . 1 12 12 DA H3' H 1 4.578 0.01 . 1 . . . . . 12 DA H3' . 52355 5 90 . 1 . 1 12 12 DA H8 H 1 8.128 0.01 . 1 . . . . . 12 DA H8 . 52355 5 91 . 1 . 1 13 13 DA H1' H 1 6.242 0.01 . 1 . . . . . 13 DA H1' . 52355 5 92 . 1 . 1 13 13 DA H2' H 1 2.840 0.01 . 2 . . . . . 13 DA H2' . 52355 5 93 . 1 . 1 13 13 DA H2'' H 1 2.840 0.01 . 2 . . . . . 13 DA H2'' . 52355 5 94 . 1 . 1 13 13 DA H8 H 1 7.976 0.01 . 1 . . . . . 13 DA H8 . 52355 5 95 . 1 . 1 13 13 DA P P 31 -4.655 0.05 . 1 . . . . . 13 DA P . 52355 5 96 . 1 . 1 14 14 DG H1 H 1 12.955 0.01 . 1 . . . . . 14 DG H1 . 52355 5 97 . 1 . 1 14 14 DG H1' H 1 5.018 0.01 . 1 . . . . . 14 DG H1' . 52355 5 98 . 1 . 1 14 14 DG H2' H 1 2.659 0.01 . 1 . . . . . 14 DG H2' . 52355 5 99 . 1 . 1 14 14 DG H2'' H 1 2.550 0.01 . 1 . . . . . 14 DG H2'' . 52355 5 100 . 1 . 1 14 14 DG H3' H 1 4.913 0.01 . 1 . . . . . 14 DG H3' . 52355 5 101 . 1 . 1 14 14 DG H8 H 1 8.078 0.01 . 1 . . . . . 14 DG H8 . 52355 5 102 . 1 . 1 15 15 DA H1' H 1 6.247 0.01 . 1 . . . . . 15 DA H1' . 52355 5 103 . 1 . 1 15 15 DA H2 H 1 8.062 0.01 . 1 . . . . . 15 DA H2 . 52355 5 104 . 1 . 1 15 15 DA H2' H 1 2.579 0.01 . 1 . . . . . 15 DA H2' . 52355 5 105 . 1 . 1 15 15 DA H2'' H 1 2.766 0.01 . 1 . . . . . 15 DA H2'' . 52355 5 106 . 1 . 1 15 15 DA H3' H 1 5.034 0.01 . 1 . . . . . 15 DA H3' . 52355 5 107 . 1 . 1 15 15 DA H8 H 1 8.196 0.01 . 1 . . . . . 15 DA H8 . 52355 5 108 . 1 . 1 15 15 DA P P 31 -3.493 0.05 . 1 . . . . . 15 DA P . 52355 5 109 . 1 . 1 16 16 DC H1' H 1 5.933 0.01 . 1 . . . . . 16 DC H1' . 52355 5 110 . 1 . 1 16 16 DC H2' H 1 1.982 0.01 . 1 . . . . . 16 DC H2' . 52355 5 111 . 1 . 1 16 16 DC H2'' H 1 2.308 0.01 . 1 . . . . . 16 DC H2'' . 52355 5 112 . 1 . 1 16 16 DC H3' H 1 4.816 0.01 . 1 . . . . . 16 DC H3' . 52355 5 113 . 1 . 1 16 16 DC H5 H 1 5.005 0.01 . 1 . . . . . 16 DC H5 . 52355 5 114 . 1 . 1 16 16 DC H6 H 1 7.247 0.01 . 1 . . . . . 16 DC H6 . 52355 5 115 . 1 . 1 16 16 DC H41 H 1 8.102 0.01 . 1 . . . . . 16 DC H41 . 52355 5 116 . 1 . 1 16 16 DC H42 H 1 6.542 0.01 . 1 . . . . . 16 DC H42 . 52355 5 117 . 1 . 1 17 17 DT H1' H 1 5.417 0.01 . 1 . . . . . 17 DT H1' . 52355 5 118 . 1 . 1 17 17 DT H2' H 1 0.552 0.01 . 1 . . . . . 17 DT H2' . 52355 5 119 . 1 . 1 17 17 DT H2'' H 1 1.551 0.01 . 1 . . . . . 17 DT H2'' . 52355 5 120 . 1 . 1 17 17 DT H3 H 1 10.840 0.01 . 1 . . . . . 17 DT H3 . 52355 5 121 . 1 . 1 17 17 DT H3' H 1 4.374 0.01 . 1 . . . . . 17 DT H3' . 52355 5 122 . 1 . 1 17 17 DT H4' H 1 4.182 0.01 . 1 . . . . . 17 DT H4' . 52355 5 123 . 1 . 1 17 17 DT H5' H 1 4.123 0.01 . 2 . . . . . 17 DT H5' . 52355 5 124 . 1 . 1 17 17 DT H5'' H 1 3.687 0.01 . 2 . . . . . 17 DT H5'' . 52355 5 125 . 1 . 1 17 17 DT H6 H 1 6.956 0.01 . 1 . . . . . 17 DT H6 . 52355 5 126 . 1 . 1 17 17 DT H71 H 1 1.325 0.01 . 3 . . . . . 17 DT H71 . 52355 5 127 . 1 . 1 17 17 DT H72 H 1 1.325 0.01 . 3 . . . . . 17 DT H72 . 52355 5 128 . 1 . 1 17 17 DT H73 H 1 1.325 0.01 . 3 . . . . . 17 DT H73 . 52355 5 129 . 1 . 1 17 17 DT P P 31 -5.006 0.05 . 1 . . . . . 17 DT P . 52355 5 130 . 1 . 1 18 18 DG H1 H 1 12.901 0.01 . 1 . . . . . 18 DG H1 . 52355 5 131 . 1 . 1 18 18 DG H1' H 1 5.357 0.01 . 1 . . . . . 18 DG H1' . 52355 5 132 . 1 . 1 18 18 DG H2' H 1 2.840 0.01 . 1 . . . . . 18 DG H2' . 52355 5 133 . 1 . 1 18 18 DG H2'' H 1 2.476 0.01 . 1 . . . . . 18 DG H2'' . 52355 5 134 . 1 . 1 18 18 DG H3' H 1 4.971 0.01 . 1 . . . . . 18 DG H3' . 52355 5 135 . 1 . 1 18 18 DG H8 H 1 7.973 0.01 . 1 . . . . . 18 DG H8 . 52355 5 136 . 1 . 1 18 18 DG P P 31 -4.410 0.05 . 1 . . . . . 18 DG P . 52355 5 137 . 1 . 1 19 19 DC H1' H 1 6.230 0.01 . 1 . . . . . 19 DC H1' . 52355 5 138 . 1 . 1 19 19 DC H2' H 1 2.003 0.01 . 1 . . . . . 19 DC H2' . 52355 5 139 . 1 . 1 19 19 DC H2'' H 1 2.334 0.01 . 1 . . . . . 19 DC H2'' . 52355 5 140 . 1 . 1 19 19 DC H3' H 1 4.941 0.01 . 1 . . . . . 19 DC H3' . 52355 5 141 . 1 . 1 19 19 DC H5 H 1 5.871 0.01 . 1 . . . . . 19 DC H5 . 52355 5 142 . 1 . 1 19 19 DC H6 H 1 7.577 0.01 . 1 . . . . . 19 DC H6 . 52355 5 143 . 1 . 1 19 19 DC H41 H 1 7.742 0.01 . 1 . . . . . 19 DC H41 . 52355 5 144 . 1 . 1 19 19 DC H42 H 1 6.680 0.01 . 1 . . . . . 19 DC H42 . 52355 5 145 . 1 . 1 19 19 DC P P 31 -2.814 0.05 . 1 . . . . . 19 DC P . 52355 5 146 . 1 . 1 20 20 DC H1' H 1 6.411 0.01 . 1 . . . . . 20 DC H1' . 52355 5 147 . 1 . 1 20 20 DC H2' H 1 2.801 0.01 . 2 . . . . . 20 DC H2' . 52355 5 148 . 1 . 1 20 20 DC H2'' H 1 2.771 0.01 . 2 . . . . . 20 DC H2'' . 52355 5 149 . 1 . 1 20 20 DC H3' H 1 5.150 0.01 . 1 . . . . . 20 DC H3' . 52355 5 150 . 1 . 1 20 20 DC H5 H 1 5.862 0.01 . 1 . . . . . 20 DC H5 . 52355 5 151 . 1 . 1 20 20 DC H6 H 1 7.852 0.01 . 1 . . . . . 20 DC H6 . 52355 5 152 . 1 . 1 20 20 DC H41 H 1 8.939 0.01 . 1 . . . . . 20 DC H41 . 52355 5 153 . 1 . 1 20 20 DC H42 H 1 6.971 0.01 . 1 . . . . . 20 DC H42 . 52355 5 154 . 1 . 1 20 20 DC P P 31 -4.915 0.05 . 1 . . . . . 20 DC P . 52355 5 155 . 1 . 1 21 21 DA H1' H 1 6.313 0.01 . 1 . . . . . 21 DA H1' . 52355 5 156 . 1 . 1 21 21 DA H2' H 1 2.170 0.01 . 1 . . . . . 21 DA H2' . 52355 5 157 . 1 . 1 21 21 DA H2'' H 1 2.808 0.01 . 1 . . . . . 21 DA H2'' . 52355 5 158 . 1 . 1 21 21 DA H3' H 1 5.208 0.01 . 1 . . . . . 21 DA H3' . 52355 5 159 . 1 . 1 21 21 DA H8 H 1 7.842 0.01 . 1 . . . . . 21 DA H8 . 52355 5 160 . 1 . 1 21 21 DA P P 31 -3.015 0.05 . 1 . . . . . 21 DA P . 52355 5 161 . 1 . 1 22 22 DG H1 H 1 13.130 0.01 . 1 . . . . . 22 DG H1 . 52355 5 162 . 1 . 1 22 22 DG H1' H 1 5.951 0.01 . 1 . . . . . 22 DG H1' . 52355 5 163 . 1 . 1 22 22 DG H2' H 1 2.477 0.01 . 2 . . . . . 22 DG H2' . 52355 5 164 . 1 . 1 22 22 DG H2'' H 1 2.536 0.01 . 2 . . . . . 22 DG H2'' . 52355 5 165 . 1 . 1 22 22 DG H3' H 1 4.697 0.01 . 1 . . . . . 22 DG H3' . 52355 5 166 . 1 . 1 22 22 DG H8 H 1 7.976 0.01 . 1 . . . . . 22 DG H8 . 52355 5 167 . 1 . 1 22 22 DG P P 31 -3.867 0.05 . 1 . . . . . 22 DG P . 52355 5 168 . 1 . 1 23 23 DC H1' H 1 5.460 0.01 . 1 . . . . . 23 DC H1' . 52355 5 169 . 1 . 1 23 23 DC H2' H 1 1.783 0.01 . 1 . . . . . 23 DC H2' . 52355 5 170 . 1 . 1 23 23 DC H2'' H 1 2.299 0.01 . 1 . . . . . 23 DC H2'' . 52355 5 171 . 1 . 1 23 23 DC H3' H 1 4.455 0.01 . 1 . . . . . 23 DC H3' . 52355 5 172 . 1 . 1 23 23 DC H5 H 1 6.166 0.01 . 1 . . . . . 23 DC H5 . 52355 5 173 . 1 . 1 23 23 DC H6 H 1 7.597 0.01 . 1 . . . . . 23 DC H6 . 52355 5 174 . 1 . 1 23 23 DC P P 31 -3.550 0.05 . 1 . . . . . 23 DC P . 52355 5 175 . 1 . 1 24 24 DG H1 H 1 13.205 0.01 . 1 . . . . . 24 DG H1 . 52355 5 176 . 1 . 1 24 24 DG H1' H 1 5.724 0.01 . 1 . . . . . 24 DG H1' . 52355 5 177 . 1 . 1 24 24 DG H2' H 1 2.555 0.01 . 1 . . . . . 24 DG H2' . 52355 5 178 . 1 . 1 24 24 DG H2'' H 1 2.799 0.01 . 1 . . . . . 24 DG H2'' . 52355 5 179 . 1 . 1 24 24 DG H3' H 1 4.720 0.01 . 1 . . . . . 24 DG H3' . 52355 5 180 . 1 . 1 24 24 DG H8 H 1 7.663 0.01 . 1 . . . . . 24 DG H8 . 52355 5 181 . 1 . 1 24 24 DG P P 31 -3.856 0.05 . 1 . . . . . 24 DG P . 52355 5 182 . 1 . 1 25 25 DG H1 H 1 12.516 0.01 . 1 . . . . . 25 DG H1 . 52355 5 183 . 1 . 1 25 25 DG H1' H 1 5.154 0.01 . 1 . . . . . 25 DG H1' . 52355 5 184 . 1 . 1 25 25 DG H2' H 1 2.462 0.01 . 1 . . . . . 25 DG H2' . 52355 5 185 . 1 . 1 25 25 DG H2'' H 1 2.298 0.01 . 1 . . . . . 25 DG H2'' . 52355 5 186 . 1 . 1 25 25 DG H3' H 1 4.780 0.01 . 1 . . . . . 25 DG H3' . 52355 5 187 . 1 . 1 25 25 DG H8 H 1 7.734 0.01 . 1 . . . . . 25 DG H8 . 52355 5 188 . 1 . 1 26 26 DC H1' H 1 6.056 0.01 . 1 . . . . . 26 DC H1' . 52355 5 189 . 1 . 1 26 26 DC H2' H 1 2.208 0.01 . 2 . . . . . 26 DC H2' . 52355 5 190 . 1 . 1 26 26 DC H2'' H 1 2.435 0.01 . 2 . . . . . 26 DC H2'' . 52355 5 191 . 1 . 1 26 26 DC H3' H 1 4.711 0.01 . 1 . . . . . 26 DC H3' . 52355 5 192 . 1 . 1 26 26 DC H5 H 1 5.645 0.01 . 1 . . . . . 26 DC H5 . 52355 5 193 . 1 . 1 26 26 DC H6 H 1 7.435 0.01 . 1 . . . . . 26 DC H6 . 52355 5 194 . 1 . 1 26 26 DC H41 H 1 8.061 0.01 . 1 . . . . . 26 DC H41 . 52355 5 195 . 1 . 1 26 26 DC H42 H 1 6.763 0.01 . 1 . . . . . 26 DC H42 . 52355 5 196 . 1 . 1 26 26 DC P P 31 -3.233 0.05 . 1 . . . . . 26 DC P . 52355 5 197 . 1 . 1 27 27 DT H1' H 1 6.131 0.01 . 1 . . . . . 27 DT H1' . 52355 5 198 . 1 . 1 27 27 DT H2' H 1 1.647 0.01 . 1 . . . . . 27 DT H2' . 52355 5 199 . 1 . 1 27 27 DT H2'' H 1 2.288 0.01 . 1 . . . . . 27 DT H2'' . 52355 5 200 . 1 . 1 27 27 DT H3' H 1 4.660 0.01 . 1 . . . . . 27 DT H3' . 52355 5 201 . 1 . 1 27 27 DT H6 H 1 7.231 0.01 . 1 . . . . . 27 DT H6 . 52355 5 202 . 1 . 1 27 27 DT H71 H 1 1.645 0.01 . 3 . . . . . 27 DT H71 . 52355 5 203 . 1 . 1 27 27 DT H72 H 1 1.645 0.01 . 3 . . . . . 27 DT H72 . 52355 5 204 . 1 . 1 27 27 DT H73 H 1 1.645 0.01 . 3 . . . . . 27 DT H73 . 52355 5 205 . 1 . 1 27 27 DT P P 31 -4.845 0.05 . 1 . . . . . 27 DT P . 52355 5 206 . 1 . 1 28 28 DC H1' H 1 5.985 0.01 . 1 . . . . . 28 DC H1' . 52355 5 207 . 1 . 1 28 28 DC H2' H 1 2.158 0.01 . 2 . . . . . 28 DC H2' . 52355 5 208 . 1 . 1 28 28 DC H2'' H 1 2.381 0.01 . 2 . . . . . 28 DC H2'' . 52355 5 209 . 1 . 1 28 28 DC H3' H 1 4.883 0.01 . 1 . . . . . 28 DC H3' . 52355 5 210 . 1 . 1 28 28 DC H5 H 1 5.571 0.01 . 1 . . . . . 28 DC H5 . 52355 5 211 . 1 . 1 28 28 DC H6 H 1 7.288 0.01 . 1 . . . . . 28 DC H6 . 52355 5 212 . 1 . 1 28 28 DC H41 H 1 8.689 0.01 . 1 . . . . . 28 DC H41 . 52355 5 213 . 1 . 1 28 28 DC H42 H 1 7.243 0.01 . 1 . . . . . 28 DC H42 . 52355 5 214 . 1 . 1 28 28 DC P P 31 -4.654 0.05 . 1 . . . . . 28 DC P . 52355 5 215 . 1 . 1 29 29 DG H3' H 1 5.002 0.01 . 1 . . . . . 29 DG H3' . 52355 5 216 . 1 . 1 29 29 DG H8 H 1 8.123 0.01 . 1 . . . . . 29 DG H8 . 52355 5 217 . 1 . 1 30 30 DA H1' H 1 5.097 0.01 . 1 . . . . . 30 DA H1' . 52355 5 218 . 1 . 1 30 30 DA H2' H 1 1.326 0.01 . 2 . . . . . 30 DA H2' . 52355 5 219 . 1 . 1 30 30 DA H2'' H 1 2.287 0.01 . 2 . . . . . 30 DA H2'' . 52355 5 220 . 1 . 1 30 30 DA H3' H 1 4.643 0.01 . 1 . . . . . 30 DA H3' . 52355 5 221 . 1 . 1 30 30 DA H8 H 1 8.051 0.01 . 1 . . . . . 30 DA H8 . 52355 5 222 . 1 . 1 30 30 DA P P 31 -2.622 0.05 . 1 . . . . . 30 DA P . 52355 5 223 . 1 . 1 31 31 DC H1' H 1 4.894 0.01 . 1 . . . . . 31 DC H1' . 52355 5 224 . 1 . 1 31 31 DC H2' H 1 2.186 0.01 . 1 . . . . . 31 DC H2' . 52355 5 225 . 1 . 1 31 31 DC H2'' H 1 2.298 0.01 . 1 . . . . . 31 DC H2'' . 52355 5 226 . 1 . 1 31 31 DC H3' H 1 4.790 0.01 . 1 . . . . . 31 DC H3' . 52355 5 227 . 1 . 1 31 31 DC H5 H 1 5.753 0.01 . 1 . . . . . 31 DC H5 . 52355 5 228 . 1 . 1 31 31 DC H6 H 1 7.438 0.01 . 1 . . . . . 31 DC H6 . 52355 5 229 . 1 . 1 31 31 DC H41 H 1 8.494 0.01 . 1 . . . . . 31 DC H41 . 52355 5 230 . 1 . 1 31 31 DC H42 H 1 7.028 0.01 . 1 . . . . . 31 DC H42 . 52355 5 231 . 1 . 1 31 31 DC P P 31 -4.788 0.05 . 1 . . . . . 31 DC P . 52355 5 232 . 1 . 1 32 32 DG H1 H 1 13.204 0.01 . 1 . . . . . 32 DG H1 . 52355 5 233 . 1 . 1 32 32 DG H1' H 1 5.690 0.01 . 1 . . . . . 32 DG H1' . 52355 5 234 . 1 . 1 32 32 DG H2' H 1 2.721 0.01 . 1 . . . . . 32 DG H2' . 52355 5 235 . 1 . 1 32 32 DG H2'' H 1 2.820 0.01 . 1 . . . . . 32 DG H2'' . 52355 5 236 . 1 . 1 32 32 DG H3' H 1 5.042 0.01 . 1 . . . . . 32 DG H3' . 52355 5 237 . 1 . 1 32 32 DG H8 H 1 7.839 0.01 . 1 . . . . . 32 DG H8 . 52355 5 238 . 1 . 1 32 32 DG P P 31 -3.377 0.05 . 1 . . . . . 32 DG P . 52355 5 239 . 1 . 1 33 33 DG H1 H 1 13.027 0.01 . 1 . . . . . 33 DG H1 . 52355 5 240 . 1 . 1 33 33 DG H1' H 1 5.882 0.01 . 1 . . . . . 33 DG H1' . 52355 5 241 . 1 . 1 33 33 DG H2' H 1 2.593 0.01 . 1 . . . . . 33 DG H2' . 52355 5 242 . 1 . 1 33 33 DG H2'' H 1 2.723 0.01 . 1 . . . . . 33 DG H2'' . 52355 5 243 . 1 . 1 33 33 DG H3' H 1 5.021 0.01 . 1 . . . . . 33 DG H3' . 52355 5 244 . 1 . 1 33 33 DG H8 H 1 7.805 0.01 . 1 . . . . . 33 DG H8 . 52355 5 245 . 1 . 1 33 33 DG P P 31 -4.247 0.05 . 1 . . . . . 33 DG P . 52355 5 246 . 1 . 1 34 34 DC H1' H 1 5.742 0.01 . 1 . . . . . 34 DC H1' . 52355 5 247 . 1 . 1 34 34 DC H2' H 1 1.919 0.01 . 1 . . . . . 34 DC H2' . 52355 5 248 . 1 . 1 34 34 DC H2'' H 1 2.350 0.01 . 1 . . . . . 34 DC H2'' . 52355 5 249 . 1 . 1 34 34 DC H3' H 1 4.833 0.01 . 1 . . . . . 34 DC H3' . 52355 5 250 . 1 . 1 34 34 DC H5 H 1 5.450 0.01 . 1 . . . . . 34 DC H5 . 52355 5 251 . 1 . 1 34 34 DC H6 H 1 7.321 0.01 . 1 . . . . . 34 DC H6 . 52355 5 252 . 1 . 1 34 34 DC H41 H 1 8.451 0.01 . 1 . . . . . 34 DC H41 . 52355 5 253 . 1 . 1 34 34 DC H42 H 1 6.633 0.01 . 1 . . . . . 34 DC H42 . 52355 5 254 . 1 . 1 34 34 DC P P 31 -4.079 0.05 . 1 . . . . . 34 DC P . 52355 5 255 . 1 . 1 35 35 DG H1' H 1 6.172 0.01 . 1 . . . . . 35 DG H1' . 52355 5 256 . 1 . 1 35 35 DG H2' H 1 2.630 0.01 . 1 . . . . . 35 DG H2' . 52355 5 257 . 1 . 1 35 35 DG H2'' H 1 2.390 0.01 . 1 . . . . . 35 DG H2'' . 52355 5 258 . 1 . 1 35 35 DG H3' H 1 4.702 0.01 . 1 . . . . . 35 DG H3' . 52355 5 259 . 1 . 1 35 35 DG H8 H 1 7.947 0.01 . 1 . . . . . 35 DG H8 . 52355 5 260 . 1 . 1 35 35 DG P P 31 -3.934 0.05 . 1 . . . . . 35 DG P . 52355 5 stop_ save_ save_assigned_chemical_shifts_6 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_6 _Assigned_chem_shift_list.Entry_ID 52355 _Assigned_chem_shift_list.ID 6 _Assigned_chem_shift_list.Name list_6 _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 6 '2D 1H-1H NOESY' . . . 52355 6 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52355 6 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 DC H1' H 1 5.754 0.01 . 1 . . . . . 1 DC H1' . 52355 6 2 . 1 . 1 1 1 DC H2' H 1 1.982 0.01 . 1 . . . . . 1 DC H2' . 52355 6 3 . 1 . 1 1 1 DC H2'' H 1 2.436 0.01 . 1 . . . . . 1 DC H2'' . 52355 6 4 . 1 . 1 1 1 DC H3' H 1 4.722 0.01 . 1 . . . . . 1 DC H3' . 52355 6 5 . 1 . 1 1 1 DC H5 H 1 5.918 0.01 . 1 . . . . . 1 DC H5 . 52355 6 6 . 1 . 1 1 1 DC H6 H 1 7.655 0.01 . 1 . . . . . 1 DC H6 . 52355 6 7 . 1 . 1 2 2 DG H1 H 1 13.096 0.01 . 1 . . . . . 2 DG H1 . 52355 6 8 . 1 . 1 2 2 DG H1' H 1 5.914 0.01 . 1 . . . . . 2 DG H1' . 52355 6 9 . 1 . 1 2 2 DG H2' H 1 2.729 0.01 . 1 . . . . . 2 DG H2' . 52355 6 10 . 1 . 1 2 2 DG H2'' H 1 2.744 0.01 . 1 . . . . . 2 DG H2'' . 52355 6 11 . 1 . 1 2 2 DG H3' H 1 5.011 0.01 . 1 . . . . . 2 DG H3' . 52355 6 12 . 1 . 1 2 2 DG H8 H 1 8.013 0.01 . 1 . . . . . 2 DG H8 . 52355 6 13 . 1 . 1 2 2 DG P P 31 -4.066 0.05 . 1 . . . . . 2 DG P . 52355 6 14 . 1 . 1 3 3 DC H1' H 1 6.036 0.01 . 1 . . . . . 3 DC H1' . 52355 6 15 . 1 . 1 3 3 DC H2' H 1 2.145 0.01 . 1 . . . . . 3 DC H2' . 52355 6 16 . 1 . 1 3 3 DC H2'' H 1 2.467 0.01 . 1 . . . . . 3 DC H2'' . 52355 6 17 . 1 . 1 3 3 DC H3' H 1 4.888 0.01 . 1 . . . . . 3 DC H3' . 52355 6 18 . 1 . 1 3 3 DC H5 H 1 5.463 0.01 . 1 . . . . . 3 DC H5 . 52355 6 19 . 1 . 1 3 3 DC H6 H 1 7.482 0.01 . 1 . . . . . 3 DC H6 . 52355 6 20 . 1 . 1 3 3 DC H41 H 1 8.165 0.01 . 1 . . . . . 3 DC H41 . 52355 6 21 . 1 . 1 3 3 DC H42 H 1 6.438 0.01 . 1 . . . . . 3 DC H42 . 52355 6 22 . 1 . 1 3 3 DC P P 31 -4.182 0.05 . 1 . . . . . 3 DC P . 52355 6 23 . 1 . 1 4 4 DC H1' H 1 5.598 0.01 . 1 . . . . . 4 DC H1' . 52355 6 24 . 1 . 1 4 4 DC H2' H 1 1.769 0.01 . 1 . . . . . 4 DC H2' . 52355 6 25 . 1 . 1 4 4 DC H2'' H 1 2.171 0.01 . 1 . . . . . 4 DC H2'' . 52355 6 26 . 1 . 1 4 4 DC H3' H 1 4.813 0.01 . 1 . . . . . 4 DC H3' . 52355 6 27 . 1 . 1 4 4 DC H5 H 1 5.609 0.01 . 1 . . . . . 4 DC H5 . 52355 6 28 . 1 . 1 4 4 DC H6 H 1 7.335 0.01 . 1 . . . . . 4 DC H6 . 52355 6 29 . 1 . 1 4 4 DC H41 H 1 8.455 0.01 . 1 . . . . . 4 DC H41 . 52355 6 30 . 1 . 1 4 4 DC H42 H 1 6.904 0.01 . 1 . . . . . 4 DC H42 . 52355 6 31 . 1 . 1 4 4 DC P P 31 -4.111 0.05 . 1 . . . . . 4 DC P . 52355 6 32 . 1 . 1 5 5 DG H1 H 1 12.907 0.01 . 1 . . . . . 5 DG H1 . 52355 6 33 . 1 . 1 5 5 DG H1' H 1 5.958 0.01 . 1 . . . . . 5 DG H1' . 52355 6 34 . 1 . 1 5 5 DG H2' H 1 2.162 0.01 . 1 . . . . . 5 DG H2' . 52355 6 35 . 1 . 1 5 5 DG H2'' H 1 2.423 0.01 . 1 . . . . . 5 DG H2'' . 52355 6 36 . 1 . 1 5 5 DG H3' H 1 4.971 0.01 . 1 . . . . . 5 DG H3' . 52355 6 37 . 1 . 1 5 5 DG H8 H 1 7.427 0.01 . 1 . . . . . 5 DG H8 . 52355 6 38 . 1 . 1 5 5 DG P P 31 -4.086 0.05 . 1 . . . . . 5 DG P . 52355 6 39 . 1 . 1 6 6 DG H1' H 1 5.704 0.01 . 1 . . . . . 6 DG H1' . 52355 6 40 . 1 . 1 6 6 DG H2' H 1 3.131 0.01 . 2 . . . . . 6 DG H2' . 52355 6 41 . 1 . 1 6 6 DG H2'' H 1 3.132 0.01 . 2 . . . . . 6 DG H2'' . 52355 6 42 . 1 . 1 6 6 DG H3' H 1 5.262 0.01 . 1 . . . . . 6 DG H3' . 52355 6 43 . 1 . 1 6 6 DG H8 H 1 8.307 0.01 . 1 . . . . . 6 DG H8 . 52355 6 44 . 1 . 1 6 6 DG P P 31 -4.822 0.05 . 1 . . . . . 6 DG P . 52355 6 45 . 1 . 1 7 7 DG H1 H 1 11.678 0.01 . 1 . . . . . 7 DG H1 . 52355 6 46 . 1 . 1 7 7 DG H1' H 1 6.399 0.01 . 1 . . . . . 7 DG H1' . 52355 6 47 . 1 . 1 7 7 DG H2' H 1 3.240 0.01 . 2 . . . . . 7 DG H2' . 52355 6 48 . 1 . 1 7 7 DG H2'' H 1 3.022 0.01 . 2 . . . . . 7 DG H2'' . 52355 6 49 . 1 . 1 7 7 DG H3' H 1 4.897 0.01 . 1 . . . . . 7 DG H3' . 52355 6 50 . 1 . 1 7 7 DG H8 H 1 8.477 0.01 . 1 . . . . . 7 DG H8 . 52355 6 51 . 1 . 1 7 7 DG P P 31 -3.891 0.05 . 1 . . . . . 7 DG P . 52355 6 52 . 1 . 1 8 8 DG H1 H 1 12.787 0.01 . 1 . . . . . 8 DG H1 . 52355 6 53 . 1 . 1 8 8 DG H1' H 1 6.002 0.01 . 1 . . . . . 8 DG H1' . 52355 6 54 . 1 . 1 8 8 DG H2' H 1 2.570 0.01 . 2 . . . . . 8 DG H2' . 52355 6 55 . 1 . 1 8 8 DG H2'' H 1 2.835 0.01 . 2 . . . . . 8 DG H2'' . 52355 6 56 . 1 . 1 8 8 DG H3' H 1 4.900 0.01 . 1 . . . . . 8 DG H3' . 52355 6 57 . 1 . 1 8 8 DG H8 H 1 7.798 0.01 . 1 . . . . . 8 DG H8 . 52355 6 58 . 1 . 1 8 8 DG P P 31 -4.135 0.05 . 1 . . . . . 8 DG P . 52355 6 59 . 1 . 1 9 9 DT H1' H 1 6.053 0.01 . 1 . . . . . 9 DT H1' . 52355 6 60 . 1 . 1 9 9 DT H2' H 1 1.840 0.01 . 2 . . . . . 9 DT H2' . 52355 6 61 . 1 . 1 9 9 DT H2'' H 1 2.419 0.01 . 2 . . . . . 9 DT H2'' . 52355 6 62 . 1 . 1 9 9 DT H3 H 1 13.909 0.01 . 1 . . . . . 9 DT H3 . 52355 6 63 . 1 . 1 9 9 DT H3' H 1 4.772 0.01 . 1 . . . . . 9 DT H3' . 52355 6 64 . 1 . 1 9 9 DT H6 H 1 7.434 0.01 . 1 . . . . . 9 DT H6 . 52355 6 65 . 1 . 1 9 9 DT H71 H 1 1.409 0.01 . 3 . . . . . 9 DT H71 . 52355 6 66 . 1 . 1 9 9 DT H72 H 1 1.409 0.01 . 3 . . . . . 9 DT H72 . 52355 6 67 . 1 . 1 9 9 DT H73 H 1 1.409 0.01 . 3 . . . . . 9 DT H73 . 52355 6 68 . 1 . 1 9 9 DT P P 31 -4.308 0.05 . 1 . . . . . 9 DT P . 52355 6 69 . 1 . 1 10 10 DC H1' H 1 6.015 0.01 . 1 . . . . . 10 DC H1' . 52355 6 70 . 1 . 1 10 10 DC H2' H 1 1.737 0.01 . 1 . . . . . 10 DC H2' . 52355 6 71 . 1 . 1 10 10 DC H2'' H 1 2.248 0.01 . 1 . . . . . 10 DC H2'' . 52355 6 72 . 1 . 1 10 10 DC H5 H 1 5.455 0.01 . 1 . . . . . 10 DC H5 . 52355 6 73 . 1 . 1 10 10 DC H6 H 1 7.222 0.01 . 1 . . . . . 10 DC H6 . 52355 6 74 . 1 . 1 10 10 DC H41 H 1 8.500 0.01 . 1 . . . . . 10 DC H41 . 52355 6 75 . 1 . 1 10 10 DC H42 H 1 7.128 0.01 . 1 . . . . . 10 DC H42 . 52355 6 76 . 1 . 1 10 10 DC P P 31 -4.529 0.05 . 1 . . . . . 10 DC P . 52355 6 77 . 1 . 1 11 11 DG H1' H 1 5.336 0.01 . 1 . . . . . 11 DG H1' . 52355 6 78 . 1 . 1 11 11 DG H2' H 1 2.705 0.01 . 1 . . . . . 11 DG H2' . 52355 6 79 . 1 . 1 11 11 DG H2'' H 1 2.555 0.01 . 1 . . . . . 11 DG H2'' . 52355 6 80 . 1 . 1 11 11 DG H3' H 1 4.944 0.01 . 1 . . . . . 11 DG H3' . 52355 6 81 . 1 . 1 11 11 DG H8 H 1 8.128 0.01 . 1 . . . . . 11 DG H8 . 52355 6 82 . 1 . 1 12 12 DA H1' H 1 5.979 0.01 . 1 . . . . . 12 DA H1' . 52355 6 83 . 1 . 1 12 12 DA H2' H 1 2.260 0.01 . 1 . . . . . 12 DA H2' . 52355 6 84 . 1 . 1 12 12 DA H2'' H 1 2.321 0.01 . 1 . . . . . 12 DA H2'' . 52355 6 85 . 1 . 1 12 12 DA H3' H 1 4.577 0.01 . 1 . . . . . 12 DA H3' . 52355 6 86 . 1 . 1 12 12 DA H8 H 1 8.126 0.01 . 1 . . . . . 12 DA H8 . 52355 6 87 . 1 . 1 13 13 DA H1' H 1 6.239 0.01 . 1 . . . . . 13 DA H1' . 52355 6 88 . 1 . 1 13 13 DA H2' H 1 2.838 0.01 . 2 . . . . . 13 DA H2' . 52355 6 89 . 1 . 1 13 13 DA H2'' H 1 2.838 0.01 . 2 . . . . . 13 DA H2'' . 52355 6 90 . 1 . 1 13 13 DA H8 H 1 7.982 0.01 . 1 . . . . . 13 DA H8 . 52355 6 91 . 1 . 1 13 13 DA P P 31 -4.648 0.05 . 1 . . . . . 13 DA P . 52355 6 92 . 1 . 1 14 14 DG H1 H 1 12.955 0.01 . 1 . . . . . 14 DG H1 . 52355 6 93 . 1 . 1 14 14 DG H1' H 1 5.020 0.01 . 1 . . . . . 14 DG H1' . 52355 6 94 . 1 . 1 14 14 DG H2' H 1 2.660 0.01 . 1 . . . . . 14 DG H2' . 52355 6 95 . 1 . 1 14 14 DG H2'' H 1 2.553 0.01 . 1 . . . . . 14 DG H2'' . 52355 6 96 . 1 . 1 14 14 DG H3' H 1 4.914 0.01 . 1 . . . . . 14 DG H3' . 52355 6 97 . 1 . 1 14 14 DG H8 H 1 8.082 0.01 . 1 . . . . . 14 DG H8 . 52355 6 98 . 1 . 1 15 15 DA H1' H 1 6.242 0.01 . 1 . . . . . 15 DA H1' . 52355 6 99 . 1 . 1 15 15 DA H2 H 1 8.061 0.01 . 1 . . . . . 15 DA H2 . 52355 6 100 . 1 . 1 15 15 DA H2' H 1 2.579 0.01 . 1 . . . . . 15 DA H2' . 52355 6 101 . 1 . 1 15 15 DA H2'' H 1 2.758 0.01 . 1 . . . . . 15 DA H2'' . 52355 6 102 . 1 . 1 15 15 DA H3' H 1 5.034 0.01 . 1 . . . . . 15 DA H3' . 52355 6 103 . 1 . 1 15 15 DA H8 H 1 8.198 0.01 . 1 . . . . . 15 DA H8 . 52355 6 104 . 1 . 1 15 15 DA P P 31 -3.479 0.05 . 1 . . . . . 15 DA P . 52355 6 105 . 1 . 1 16 16 DC H1' H 1 5.937 0.01 . 1 . . . . . 16 DC H1' . 52355 6 106 . 1 . 1 16 16 DC H2' H 1 1.980 0.01 . 1 . . . . . 16 DC H2' . 52355 6 107 . 1 . 1 16 16 DC H2'' H 1 2.306 0.01 . 1 . . . . . 16 DC H2'' . 52355 6 108 . 1 . 1 16 16 DC H3' H 1 4.816 0.01 . 1 . . . . . 16 DC H3' . 52355 6 109 . 1 . 1 16 16 DC H5 H 1 4.998 0.01 . 1 . . . . . 16 DC H5 . 52355 6 110 . 1 . 1 16 16 DC H6 H 1 7.248 0.01 . 1 . . . . . 16 DC H6 . 52355 6 111 . 1 . 1 16 16 DC H41 H 1 8.098 0.01 . 1 . . . . . 16 DC H41 . 52355 6 112 . 1 . 1 16 16 DC H42 H 1 6.525 0.01 . 1 . . . . . 16 DC H42 . 52355 6 113 . 1 . 1 17 17 DT H1' H 1 5.407 0.01 . 1 . . . . . 17 DT H1' . 52355 6 114 . 1 . 1 17 17 DT H2' H 1 0.562 0.01 . 1 . . . . . 17 DT H2' . 52355 6 115 . 1 . 1 17 17 DT H2'' H 1 1.516 0.01 . 1 . . . . . 17 DT H2'' . 52355 6 116 . 1 . 1 17 17 DT H3 H 1 10.756 0.01 . 1 . . . . . 17 DT H3 . 52355 6 117 . 1 . 1 17 17 DT H3' H 1 4.373 0.01 . 1 . . . . . 17 DT H3' . 52355 6 118 . 1 . 1 17 17 DT H4' H 1 4.183 0.01 . 1 . . . . . 17 DT H4' . 52355 6 119 . 1 . 1 17 17 DT H5' H 1 4.121 0.01 . 2 . . . . . 17 DT H5' . 52355 6 120 . 1 . 1 17 17 DT H5'' H 1 3.683 0.01 . 2 . . . . . 17 DT H5'' . 52355 6 121 . 1 . 1 17 17 DT H6 H 1 6.956 0.01 . 1 . . . . . 17 DT H6 . 52355 6 122 . 1 . 1 17 17 DT H71 H 1 1.322 0.01 . 3 . . . . . 17 DT H71 . 52355 6 123 . 1 . 1 17 17 DT H72 H 1 1.322 0.01 . 3 . . . . . 17 DT H72 . 52355 6 124 . 1 . 1 17 17 DT H73 H 1 1.322 0.01 . 3 . . . . . 17 DT H73 . 52355 6 125 . 1 . 1 17 17 DT P P 31 -5.019 0.05 . 1 . . . . . 17 DT P . 52355 6 126 . 1 . 1 18 18 DG H1 H 1 12.915 0.01 . 1 . . . . . 18 DG H1 . 52355 6 127 . 1 . 1 18 18 DG H1' H 1 5.345 0.01 . 1 . . . . . 18 DG H1' . 52355 6 128 . 1 . 1 18 18 DG H2' H 1 2.849 0.01 . 1 . . . . . 18 DG H2' . 52355 6 129 . 1 . 1 18 18 DG H2'' H 1 2.470 0.01 . 1 . . . . . 18 DG H2'' . 52355 6 130 . 1 . 1 18 18 DG H3' H 1 4.973 0.01 . 1 . . . . . 18 DG H3' . 52355 6 131 . 1 . 1 18 18 DG H8 H 1 7.978 0.01 . 1 . . . . . 18 DG H8 . 52355 6 132 . 1 . 1 18 18 DG P P 31 -4.408 0.05 . 1 . . . . . 18 DG P . 52355 6 133 . 1 . 1 19 19 DC H1' H 1 6.247 0.01 . 1 . . . . . 19 DC H1' . 52355 6 134 . 1 . 1 19 19 DC H2' H 1 2.020 0.01 . 1 . . . . . 19 DC H2' . 52355 6 135 . 1 . 1 19 19 DC H2'' H 1 2.354 0.01 . 1 . . . . . 19 DC H2'' . 52355 6 136 . 1 . 1 19 19 DC H3' H 1 4.951 0.01 . 1 . . . . . 19 DC H3' . 52355 6 137 . 1 . 1 19 19 DC H5 H 1 5.881 0.01 . 1 . . . . . 19 DC H5 . 52355 6 138 . 1 . 1 19 19 DC H6 H 1 7.584 0.01 . 1 . . . . . 19 DC H6 . 52355 6 139 . 1 . 1 19 19 DC H41 H 1 7.716 0.01 . 1 . . . . . 19 DC H41 . 52355 6 140 . 1 . 1 19 19 DC H42 H 1 6.701 0.01 . 1 . . . . . 19 DC H42 . 52355 6 141 . 1 . 1 19 19 DC P P 31 -2.799 0.05 . 1 . . . . . 19 DC P . 52355 6 142 . 1 . 1 20 20 DC H1' H 1 6.413 0.01 . 1 . . . . . 20 DC H1' . 52355 6 143 . 1 . 1 20 20 DC H2' H 1 2.801 0.01 . 2 . . . . . 20 DC H2' . 52355 6 144 . 1 . 1 20 20 DC H2'' H 1 2.771 0.01 . 2 . . . . . 20 DC H2'' . 52355 6 145 . 1 . 1 20 20 DC H3' H 1 5.154 0.01 . 1 . . . . . 20 DC H3' . 52355 6 146 . 1 . 1 20 20 DC H5 H 1 5.862 0.01 . 1 . . . . . 20 DC H5 . 52355 6 147 . 1 . 1 20 20 DC H6 H 1 7.852 0.01 . 1 . . . . . 20 DC H6 . 52355 6 148 . 1 . 1 20 20 DC H41 H 1 8.898 0.01 . 1 . . . . . 20 DC H41 . 52355 6 149 . 1 . 1 20 20 DC H42 H 1 6.985 0.01 . 1 . . . . . 20 DC H42 . 52355 6 150 . 1 . 1 20 20 DC P P 31 -4.910 0.05 . 1 . . . . . 20 DC P . 52355 6 151 . 1 . 1 21 21 DA H1' H 1 6.313 0.01 . 1 . . . . . 21 DA H1' . 52355 6 152 . 1 . 1 21 21 DA H2' H 1 2.176 0.01 . 1 . . . . . 21 DA H2' . 52355 6 153 . 1 . 1 21 21 DA H2'' H 1 2.811 0.01 . 1 . . . . . 21 DA H2'' . 52355 6 154 . 1 . 1 21 21 DA H3' H 1 5.210 0.01 . 1 . . . . . 21 DA H3' . 52355 6 155 . 1 . 1 21 21 DA H8 H 1 7.834 0.01 . 1 . . . . . 21 DA H8 . 52355 6 156 . 1 . 1 21 21 DA P P 31 -2.987 0.05 . 1 . . . . . 21 DA P . 52355 6 157 . 1 . 1 22 22 DG H1 H 1 13.128 0.01 . 1 . . . . . 22 DG H1 . 52355 6 158 . 1 . 1 22 22 DG H1' H 1 5.951 0.01 . 1 . . . . . 22 DG H1' . 52355 6 159 . 1 . 1 22 22 DG H2' H 1 2.472 0.01 . 2 . . . . . 22 DG H2' . 52355 6 160 . 1 . 1 22 22 DG H2'' H 1 2.540 0.01 . 2 . . . . . 22 DG H2'' . 52355 6 161 . 1 . 1 22 22 DG H3' H 1 4.698 0.01 . 1 . . . . . 22 DG H3' . 52355 6 162 . 1 . 1 22 22 DG H8 H 1 7.972 0.01 . 1 . . . . . 22 DG H8 . 52355 6 163 . 1 . 1 22 22 DG P P 31 -3.898 0.05 . 1 . . . . . 22 DG P . 52355 6 164 . 1 . 1 23 23 DC H1' H 1 5.464 0.01 . 1 . . . . . 23 DC H1' . 52355 6 165 . 1 . 1 23 23 DC H2' H 1 1.779 0.01 . 1 . . . . . 23 DC H2' . 52355 6 166 . 1 . 1 23 23 DC H2'' H 1 2.292 0.01 . 1 . . . . . 23 DC H2'' . 52355 6 167 . 1 . 1 23 23 DC H3' H 1 4.455 0.01 . 1 . . . . . 23 DC H3' . 52355 6 168 . 1 . 1 23 23 DC H5 H 1 6.175 0.01 . 1 . . . . . 23 DC H5 . 52355 6 169 . 1 . 1 23 23 DC H6 H 1 7.603 0.01 . 1 . . . . . 23 DC H6 . 52355 6 170 . 1 . 1 23 23 DC P P 31 -3.543 0.05 . 1 . . . . . 23 DC P . 52355 6 171 . 1 . 1 24 24 DG H1 H 1 13.242 0.01 . 1 . . . . . 24 DG H1 . 52355 6 172 . 1 . 1 24 24 DG H1' H 1 5.752 0.01 . 1 . . . . . 24 DG H1' . 52355 6 173 . 1 . 1 24 24 DG H2' H 1 2.567 0.01 . 1 . . . . . 24 DG H2' . 52355 6 174 . 1 . 1 24 24 DG H2'' H 1 2.815 0.01 . 1 . . . . . 24 DG H2'' . 52355 6 175 . 1 . 1 24 24 DG H3' H 1 4.717 0.01 . 1 . . . . . 24 DG H3' . 52355 6 176 . 1 . 1 24 24 DG H8 H 1 7.705 0.01 . 1 . . . . . 24 DG H8 . 52355 6 177 . 1 . 1 24 24 DG P P 31 -3.905 0.05 . 1 . . . . . 24 DG P . 52355 6 178 . 1 . 1 25 25 DG H1 H 1 12.511 0.01 . 1 . . . . . 25 DG H1 . 52355 6 179 . 1 . 1 25 25 DG H1' H 1 5.137 0.01 . 1 . . . . . 25 DG H1' . 52355 6 180 . 1 . 1 25 25 DG H2' H 1 2.450 0.01 . 1 . . . . . 25 DG H2' . 52355 6 181 . 1 . 1 25 25 DG H2'' H 1 2.295 0.01 . 1 . . . . . 25 DG H2'' . 52355 6 182 . 1 . 1 25 25 DG H3' H 1 4.776 0.01 . 1 . . . . . 25 DG H3' . 52355 6 183 . 1 . 1 25 25 DG H8 H 1 7.734 0.01 . 1 . . . . . 25 DG H8 . 52355 6 184 . 1 . 1 26 26 DC H1' H 1 6.050 0.01 . 1 . . . . . 26 DC H1' . 52355 6 185 . 1 . 1 26 26 DC H2' H 1 2.196 0.01 . 2 . . . . . 26 DC H2' . 52355 6 186 . 1 . 1 26 26 DC H2'' H 1 2.443 0.01 . 2 . . . . . 26 DC H2'' . 52355 6 187 . 1 . 1 26 26 DC H3' H 1 4.704 0.01 . 1 . . . . . 26 DC H3' . 52355 6 188 . 1 . 1 26 26 DC H5 H 1 5.652 0.01 . 1 . . . . . 26 DC H5 . 52355 6 189 . 1 . 1 26 26 DC H6 H 1 7.440 0.01 . 1 . . . . . 26 DC H6 . 52355 6 190 . 1 . 1 26 26 DC H41 H 1 8.044 0.01 . 1 . . . . . 26 DC H41 . 52355 6 191 . 1 . 1 26 26 DC H42 H 1 6.776 0.01 . 1 . . . . . 26 DC H42 . 52355 6 192 . 1 . 1 26 26 DC P P 31 -3.202 0.05 . 1 . . . . . 26 DC P . 52355 6 193 . 1 . 1 27 27 DT H1' H 1 6.141 0.01 . 1 . . . . . 27 DT H1' . 52355 6 194 . 1 . 1 27 27 DT H2' H 1 1.607 0.01 . 1 . . . . . 27 DT H2' . 52355 6 195 . 1 . 1 27 27 DT H2'' H 1 2.279 0.01 . 1 . . . . . 27 DT H2'' . 52355 6 196 . 1 . 1 27 27 DT H3' H 1 4.659 0.01 . 1 . . . . . 27 DT H3' . 52355 6 197 . 1 . 1 27 27 DT H6 H 1 7.227 0.01 . 1 . . . . . 27 DT H6 . 52355 6 198 . 1 . 1 27 27 DT H71 H 1 1.644 0.01 . 3 . . . . . 27 DT H71 . 52355 6 199 . 1 . 1 27 27 DT H72 H 1 1.644 0.01 . 3 . . . . . 27 DT H72 . 52355 6 200 . 1 . 1 27 27 DT H73 H 1 1.644 0.01 . 3 . . . . . 27 DT H73 . 52355 6 201 . 1 . 1 27 27 DT P P 31 -4.871 0.05 . 1 . . . . . 27 DT P . 52355 6 202 . 1 . 1 28 28 DC H1' H 1 5.984 0.01 . 1 . . . . . 28 DC H1' . 52355 6 203 . 1 . 1 28 28 DC H2' H 1 2.164 0.01 . 2 . . . . . 28 DC H2' . 52355 6 204 . 1 . 1 28 28 DC H2'' H 1 2.381 0.01 . 2 . . . . . 28 DC H2'' . 52355 6 205 . 1 . 1 28 28 DC H3' H 1 4.882 0.01 . 1 . . . . . 28 DC H3' . 52355 6 206 . 1 . 1 28 28 DC H5 H 1 5.575 0.01 . 1 . . . . . 28 DC H5 . 52355 6 207 . 1 . 1 28 28 DC H6 H 1 7.279 0.01 . 1 . . . . . 28 DC H6 . 52355 6 208 . 1 . 1 28 28 DC H41 H 1 8.683 0.01 . 1 . . . . . 28 DC H41 . 52355 6 209 . 1 . 1 28 28 DC H42 H 1 7.239 0.01 . 1 . . . . . 28 DC H42 . 52355 6 210 . 1 . 1 28 28 DC P P 31 -4.640 0.05 . 1 . . . . . 28 DC P . 52355 6 211 . 1 . 1 29 29 DG H3' H 1 5.001 0.01 . 1 . . . . . 29 DG H3' . 52355 6 212 . 1 . 1 29 29 DG H8 H 1 8.126 0.01 . 1 . . . . . 29 DG H8 . 52355 6 213 . 1 . 1 30 30 DA H1' H 1 5.091 0.01 . 1 . . . . . 30 DA H1' . 52355 6 214 . 1 . 1 30 30 DA H2' H 1 1.326 0.01 . 2 . . . . . 30 DA H2' . 52355 6 215 . 1 . 1 30 30 DA H2'' H 1 2.277 0.01 . 2 . . . . . 30 DA H2'' . 52355 6 216 . 1 . 1 30 30 DA H3' H 1 4.641 0.01 . 1 . . . . . 30 DA H3' . 52355 6 217 . 1 . 1 30 30 DA H8 H 1 8.045 0.01 . 1 . . . . . 30 DA H8 . 52355 6 218 . 1 . 1 30 30 DA P P 31 -2.624 0.05 . 1 . . . . . 30 DA P . 52355 6 219 . 1 . 1 31 31 DC H1' H 1 4.897 0.01 . 1 . . . . . 31 DC H1' . 52355 6 220 . 1 . 1 31 31 DC H2' H 1 2.171 0.01 . 1 . . . . . 31 DC H2' . 52355 6 221 . 1 . 1 31 31 DC H2'' H 1 2.294 0.01 . 1 . . . . . 31 DC H2'' . 52355 6 222 . 1 . 1 31 31 DC H3' H 1 4.786 0.01 . 1 . . . . . 31 DC H3' . 52355 6 223 . 1 . 1 31 31 DC H5 H 1 5.756 0.01 . 1 . . . . . 31 DC H5 . 52355 6 224 . 1 . 1 31 31 DC H6 H 1 7.434 0.01 . 1 . . . . . 31 DC H6 . 52355 6 225 . 1 . 1 31 31 DC H41 H 1 8.491 0.01 . 1 . . . . . 31 DC H41 . 52355 6 226 . 1 . 1 31 31 DC H42 H 1 7.034 0.01 . 1 . . . . . 31 DC H42 . 52355 6 227 . 1 . 1 31 31 DC P P 31 -4.780 0.05 . 1 . . . . . 31 DC P . 52355 6 228 . 1 . 1 32 32 DG H1 H 1 13.221 0.01 . 1 . . . . . 32 DG H1 . 52355 6 229 . 1 . 1 32 32 DG H1' H 1 5.702 0.01 . 1 . . . . . 32 DG H1' . 52355 6 230 . 1 . 1 32 32 DG H2' H 1 2.723 0.01 . 1 . . . . . 32 DG H2' . 52355 6 231 . 1 . 1 32 32 DG H2'' H 1 2.827 0.01 . 1 . . . . . 32 DG H2'' . 52355 6 232 . 1 . 1 32 32 DG H3' H 1 5.043 0.01 . 1 . . . . . 32 DG H3' . 52355 6 233 . 1 . 1 32 32 DG H8 H 1 7.861 0.01 . 1 . . . . . 32 DG H8 . 52355 6 234 . 1 . 1 32 32 DG P P 31 -3.406 0.05 . 1 . . . . . 32 DG P . 52355 6 235 . 1 . 1 33 33 DG H1 H 1 13.034 0.01 . 1 . . . . . 33 DG H1 . 52355 6 236 . 1 . 1 33 33 DG H1' H 1 5.876 0.01 . 1 . . . . . 33 DG H1' . 52355 6 237 . 1 . 1 33 33 DG H2' H 1 2.589 0.01 . 1 . . . . . 33 DG H2' . 52355 6 238 . 1 . 1 33 33 DG H2'' H 1 2.721 0.01 . 1 . . . . . 33 DG H2'' . 52355 6 239 . 1 . 1 33 33 DG H3' H 1 5.018 0.01 . 1 . . . . . 33 DG H3' . 52355 6 240 . 1 . 1 33 33 DG H8 H 1 7.806 0.01 . 1 . . . . . 33 DG H8 . 52355 6 241 . 1 . 1 33 33 DG P P 31 -4.260 0.05 . 1 . . . . . 33 DG P . 52355 6 242 . 1 . 1 34 34 DC H1' H 1 5.736 0.01 . 1 . . . . . 34 DC H1' . 52355 6 243 . 1 . 1 34 34 DC H2'' H 1 2.345 0.01 . 1 . . . . . 34 DC H2'' . 52355 6 244 . 1 . 1 34 34 DC H3' H 1 4.831 0.01 . 1 . . . . . 34 DC H3' . 52355 6 245 . 1 . 1 34 34 DC H5 H 1 5.447 0.01 . 1 . . . . . 34 DC H5 . 52355 6 246 . 1 . 1 34 34 DC H6 H 1 7.317 0.01 . 1 . . . . . 34 DC H6 . 52355 6 247 . 1 . 1 34 34 DC H41 H 1 8.437 0.01 . 1 . . . . . 34 DC H41 . 52355 6 248 . 1 . 1 34 34 DC H42 H 1 6.631 0.01 . 1 . . . . . 34 DC H42 . 52355 6 249 . 1 . 1 34 34 DC P P 31 -4.076 0.05 . 1 . . . . . 34 DC P . 52355 6 250 . 1 . 1 35 35 DG H1' H 1 6.167 0.01 . 1 . . . . . 35 DG H1' . 52355 6 251 . 1 . 1 35 35 DG H2' H 1 2.629 0.01 . 1 . . . . . 35 DG H2' . 52355 6 252 . 1 . 1 35 35 DG H2'' H 1 2.389 0.01 . 1 . . . . . 35 DG H2'' . 52355 6 253 . 1 . 1 35 35 DG H3' H 1 4.699 0.01 . 1 . . . . . 35 DG H3' . 52355 6 254 . 1 . 1 35 35 DG H8 H 1 7.942 0.01 . 1 . . . . . 35 DG H8 . 52355 6 255 . 1 . 1 35 35 DG P P 31 -3.927 0.05 . 1 . . . . . 35 DG P . 52355 6 stop_ save_ save_assigned_chemical_shifts_7 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_7 _Assigned_chem_shift_list.Entry_ID 52355 _Assigned_chem_shift_list.ID 7 _Assigned_chem_shift_list.Name list_7 _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 7 '2D 1H-1H NOESY' . . . 52355 7 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52355 7 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 DC H1' H 1 5.756 0.01 . 1 . . . . . 1 DC H1' . 52355 7 2 . 1 . 1 1 1 DC H2' H 1 1.979 0.01 . 1 . . . . . 1 DC H2' . 52355 7 3 . 1 . 1 1 1 DC H2'' H 1 2.434 0.01 . 1 . . . . . 1 DC H2'' . 52355 7 4 . 1 . 1 1 1 DC H3' H 1 4.723 0.01 . 1 . . . . . 1 DC H3' . 52355 7 5 . 1 . 1 1 1 DC H5 H 1 5.918 0.01 . 1 . . . . . 1 DC H5 . 52355 7 6 . 1 . 1 1 1 DC H6 H 1 7.656 0.01 . 1 . . . . . 1 DC H6 . 52355 7 7 . 1 . 1 2 2 DG H1 H 1 13.095 0.01 . 1 . . . . . 2 DG H1 . 52355 7 8 . 1 . 1 2 2 DG H1' H 1 5.913 0.01 . 1 . . . . . 2 DG H1' . 52355 7 9 . 1 . 1 2 2 DG H2' H 1 2.732 0.01 . 1 . . . . . 2 DG H2' . 52355 7 10 . 1 . 1 2 2 DG H2'' H 1 2.741 0.01 . 1 . . . . . 2 DG H2'' . 52355 7 11 . 1 . 1 2 2 DG H3' H 1 5.011 0.01 . 1 . . . . . 2 DG H3' . 52355 7 12 . 1 . 1 2 2 DG H8 H 1 8.017 0.01 . 1 . . . . . 2 DG H8 . 52355 7 13 . 1 . 1 2 2 DG P P 31 -4.066 0.05 . 1 . . . . . 2 DG P . 52355 7 14 . 1 . 1 3 3 DC H1' H 1 6.041 0.01 . 1 . . . . . 3 DC H1' . 52355 7 15 . 1 . 1 3 3 DC H2' H 1 2.155 0.01 . 1 . . . . . 3 DC H2' . 52355 7 16 . 1 . 1 3 3 DC H2'' H 1 2.461 0.01 . 1 . . . . . 3 DC H2'' . 52355 7 17 . 1 . 1 3 3 DC H3' H 1 4.891 0.01 . 1 . . . . . 3 DC H3' . 52355 7 18 . 1 . 1 3 3 DC H5 H 1 5.463 0.01 . 1 . . . . . 3 DC H5 . 52355 7 19 . 1 . 1 3 3 DC H6 H 1 7.487 0.01 . 1 . . . . . 3 DC H6 . 52355 7 20 . 1 . 1 3 3 DC H41 H 1 8.143 0.01 . 1 . . . . . 3 DC H41 . 52355 7 21 . 1 . 1 3 3 DC H42 H 1 6.448 0.01 . 1 . . . . . 3 DC H42 . 52355 7 22 . 1 . 1 3 3 DC P P 31 -4.182 0.05 . 1 . . . . . 3 DC P . 52355 7 23 . 1 . 1 4 4 DC H1' H 1 5.598 0.01 . 1 . . . . . 4 DC H1' . 52355 7 24 . 1 . 1 4 4 DC H2' H 1 1.748 0.01 . 1 . . . . . 4 DC H2' . 52355 7 25 . 1 . 1 4 4 DC H2'' H 1 2.160 0.01 . 1 . . . . . 4 DC H2'' . 52355 7 26 . 1 . 1 4 4 DC H3' H 1 4.809 0.01 . 1 . . . . . 4 DC H3' . 52355 7 27 . 1 . 1 4 4 DC H5 H 1 5.608 0.01 . 1 . . . . . 4 DC H5 . 52355 7 28 . 1 . 1 4 4 DC H6 H 1 7.333 0.01 . 1 . . . . . 4 DC H6 . 52355 7 29 . 1 . 1 4 4 DC H41 H 1 8.414 0.01 . 1 . . . . . 4 DC H41 . 52355 7 30 . 1 . 1 4 4 DC H42 H 1 6.907 0.01 . 1 . . . . . 4 DC H42 . 52355 7 31 . 1 . 1 4 4 DC P P 31 -4.111 0.05 . 1 . . . . . 4 DC P . 52355 7 32 . 1 . 1 5 5 DG H1 H 1 12.907 0.01 . 1 . . . . . 5 DG H1 . 52355 7 33 . 1 . 1 5 5 DG H1' H 1 5.960 0.01 . 1 . . . . . 5 DG H1' . 52355 7 34 . 1 . 1 5 5 DG H2' H 1 2.171 0.01 . 1 . . . . . 5 DG H2' . 52355 7 35 . 1 . 1 5 5 DG H2'' H 1 2.420 0.01 . 1 . . . . . 5 DG H2'' . 52355 7 36 . 1 . 1 5 5 DG H3' H 1 4.970 0.01 . 1 . . . . . 5 DG H3' . 52355 7 37 . 1 . 1 5 5 DG H8 H 1 7.428 0.01 . 1 . . . . . 5 DG H8 . 52355 7 38 . 1 . 1 5 5 DG P P 31 -4.097 0.05 . 1 . . . . . 5 DG P . 52355 7 39 . 1 . 1 6 6 DG H1' H 1 5.709 0.01 . 1 . . . . . 6 DG H1' . 52355 7 40 . 1 . 1 6 6 DG H2' H 1 3.131 0.01 . 2 . . . . . 6 DG H2' . 52355 7 41 . 1 . 1 6 6 DG H2'' H 1 3.132 0.01 . 2 . . . . . 6 DG H2'' . 52355 7 42 . 1 . 1 6 6 DG H3' H 1 5.265 0.01 . 1 . . . . . 6 DG H3' . 52355 7 43 . 1 . 1 6 6 DG H8 H 1 8.319 0.01 . 1 . . . . . 6 DG H8 . 52355 7 44 . 1 . 1 6 6 DG P P 31 -4.841 0.05 . 1 . . . . . 6 DG P . 52355 7 45 . 1 . 1 7 7 DG H1 H 1 11.695 0.01 . 1 . . . . . 7 DG H1 . 52355 7 46 . 1 . 1 7 7 DG H1' H 1 6.393 0.01 . 1 . . . . . 7 DG H1' . 52355 7 47 . 1 . 1 7 7 DG H2' H 1 3.236 0.01 . 2 . . . . . 7 DG H2' . 52355 7 48 . 1 . 1 7 7 DG H2'' H 1 3.028 0.01 . 2 . . . . . 7 DG H2'' . 52355 7 49 . 1 . 1 7 7 DG H3' H 1 4.904 0.01 . 1 . . . . . 7 DG H3' . 52355 7 50 . 1 . 1 7 7 DG H8 H 1 8.484 0.01 . 1 . . . . . 7 DG H8 . 52355 7 51 . 1 . 1 7 7 DG P P 31 -3.877 0.05 . 1 . . . . . 7 DG P . 52355 7 52 . 1 . 1 8 8 DG H1 H 1 12.797 0.01 . 1 . . . . . 8 DG H1 . 52355 7 53 . 1 . 1 8 8 DG H1' H 1 6.001 0.01 . 1 . . . . . 8 DG H1' . 52355 7 54 . 1 . 1 8 8 DG H2' H 1 2.573 0.01 . 2 . . . . . 8 DG H2' . 52355 7 55 . 1 . 1 8 8 DG H2'' H 1 2.834 0.01 . 2 . . . . . 8 DG H2'' . 52355 7 56 . 1 . 1 8 8 DG H3' H 1 4.902 0.01 . 1 . . . . . 8 DG H3' . 52355 7 57 . 1 . 1 8 8 DG H8 H 1 7.808 0.01 . 1 . . . . . 8 DG H8 . 52355 7 58 . 1 . 1 8 8 DG P P 31 -4.165 0.05 . 1 . . . . . 8 DG P . 52355 7 59 . 1 . 1 9 9 DT H1' H 1 6.051 0.01 . 1 . . . . . 9 DT H1' . 52355 7 60 . 1 . 1 9 9 DT H2' H 1 1.840 0.01 . 2 . . . . . 9 DT H2' . 52355 7 61 . 1 . 1 9 9 DT H2'' H 1 2.419 0.01 . 2 . . . . . 9 DT H2'' . 52355 7 62 . 1 . 1 9 9 DT H3 H 1 13.910 0.01 . 1 . . . . . 9 DT H3 . 52355 7 63 . 1 . 1 9 9 DT H3' H 1 4.768 0.01 . 1 . . . . . 9 DT H3' . 52355 7 64 . 1 . 1 9 9 DT H6 H 1 7.434 0.01 . 1 . . . . . 9 DT H6 . 52355 7 65 . 1 . 1 9 9 DT H71 H 1 1.413 0.01 . 3 . . . . . 9 DT H71 . 52355 7 66 . 1 . 1 9 9 DT H72 H 1 1.413 0.01 . 3 . . . . . 9 DT H72 . 52355 7 67 . 1 . 1 9 9 DT H73 H 1 1.413 0.01 . 3 . . . . . 9 DT H73 . 52355 7 68 . 1 . 1 9 9 DT P P 31 -4.303 0.05 . 1 . . . . . 9 DT P . 52355 7 69 . 1 . 1 10 10 DC H1' H 1 6.017 0.01 . 1 . . . . . 10 DC H1' . 52355 7 70 . 1 . 1 10 10 DC H2' H 1 1.742 0.01 . 1 . . . . . 10 DC H2' . 52355 7 71 . 1 . 1 10 10 DC H2'' H 1 2.248 0.01 . 1 . . . . . 10 DC H2'' . 52355 7 72 . 1 . 1 10 10 DC H5 H 1 5.457 0.01 . 1 . . . . . 10 DC H5 . 52355 7 73 . 1 . 1 10 10 DC H6 H 1 7.221 0.01 . 1 . . . . . 10 DC H6 . 52355 7 74 . 1 . 1 10 10 DC H41 H 1 8.495 0.01 . 1 . . . . . 10 DC H41 . 52355 7 75 . 1 . 1 10 10 DC H42 H 1 7.121 0.01 . 1 . . . . . 10 DC H42 . 52355 7 76 . 1 . 1 10 10 DC P P 31 -4.532 0.05 . 1 . . . . . 10 DC P . 52355 7 77 . 1 . 1 11 11 DG H1' H 1 5.334 0.01 . 1 . . . . . 11 DG H1' . 52355 7 78 . 1 . 1 11 11 DG H2' H 1 2.705 0.01 . 1 . . . . . 11 DG H2' . 52355 7 79 . 1 . 1 11 11 DG H2'' H 1 2.554 0.01 . 1 . . . . . 11 DG H2'' . 52355 7 80 . 1 . 1 11 11 DG H3' H 1 4.944 0.01 . 1 . . . . . 11 DG H3' . 52355 7 81 . 1 . 1 11 11 DG H8 H 1 8.134 0.01 . 1 . . . . . 11 DG H8 . 52355 7 82 . 1 . 1 12 12 DA H1' H 1 5.979 0.01 . 1 . . . . . 12 DA H1' . 52355 7 83 . 1 . 1 12 12 DA H2' H 1 2.261 0.01 . 1 . . . . . 12 DA H2' . 52355 7 84 . 1 . 1 12 12 DA H2'' H 1 2.321 0.01 . 1 . . . . . 12 DA H2'' . 52355 7 85 . 1 . 1 12 12 DA H3' H 1 4.577 0.01 . 1 . . . . . 12 DA H3' . 52355 7 86 . 1 . 1 12 12 DA H8 H 1 8.127 0.01 . 1 . . . . . 12 DA H8 . 52355 7 87 . 1 . 1 13 13 DA H1' H 1 6.239 0.01 . 1 . . . . . 13 DA H1' . 52355 7 88 . 1 . 1 13 13 DA H2' H 1 2.838 0.01 . 2 . . . . . 13 DA H2' . 52355 7 89 . 1 . 1 13 13 DA H2'' H 1 2.838 0.01 . 2 . . . . . 13 DA H2'' . 52355 7 90 . 1 . 1 13 13 DA H8 H 1 7.981 0.01 . 1 . . . . . 13 DA H8 . 52355 7 91 . 1 . 1 13 13 DA P P 31 -4.648 0.05 . 1 . . . . . 13 DA P . 52355 7 92 . 1 . 1 14 14 DG H1 H 1 12.951 0.01 . 1 . . . . . 14 DG H1 . 52355 7 93 . 1 . 1 14 14 DG H1' H 1 5.024 0.01 . 1 . . . . . 14 DG H1' . 52355 7 94 . 1 . 1 14 14 DG H2' H 1 2.661 0.01 . 1 . . . . . 14 DG H2' . 52355 7 95 . 1 . 1 14 14 DG H2'' H 1 2.554 0.01 . 1 . . . . . 14 DG H2'' . 52355 7 96 . 1 . 1 14 14 DG H3' H 1 4.914 0.01 . 1 . . . . . 14 DG H3' . 52355 7 97 . 1 . 1 14 14 DG H8 H 1 8.085 0.01 . 1 . . . . . 14 DG H8 . 52355 7 98 . 1 . 1 15 15 DA H1' H 1 6.241 0.01 . 1 . . . . . 15 DA H1' . 52355 7 99 . 1 . 1 15 15 DA H2 H 1 8.060 0.01 . 1 . . . . . 15 DA H2 . 52355 7 100 . 1 . 1 15 15 DA H2' H 1 2.579 0.01 . 1 . . . . . 15 DA H2' . 52355 7 101 . 1 . 1 15 15 DA H2'' H 1 2.758 0.01 . 1 . . . . . 15 DA H2'' . 52355 7 102 . 1 . 1 15 15 DA H3' H 1 5.033 0.01 . 1 . . . . . 15 DA H3' . 52355 7 103 . 1 . 1 15 15 DA H8 H 1 8.198 0.01 . 1 . . . . . 15 DA H8 . 52355 7 104 . 1 . 1 15 15 DA P P 31 -3.486 0.05 . 1 . . . . . 15 DA P . 52355 7 105 . 1 . 1 16 16 DC H1' H 1 5.937 0.01 . 1 . . . . . 16 DC H1' . 52355 7 106 . 1 . 1 16 16 DC H2' H 1 1.978 0.01 . 1 . . . . . 16 DC H2' . 52355 7 107 . 1 . 1 16 16 DC H2'' H 1 2.307 0.01 . 1 . . . . . 16 DC H2'' . 52355 7 108 . 1 . 1 16 16 DC H3' H 1 4.814 0.01 . 1 . . . . . 16 DC H3' . 52355 7 109 . 1 . 1 16 16 DC H5 H 1 4.996 0.01 . 1 . . . . . 16 DC H5 . 52355 7 110 . 1 . 1 16 16 DC H6 H 1 7.245 0.01 . 1 . . . . . 16 DC H6 . 52355 7 111 . 1 . 1 16 16 DC H41 H 1 8.096 0.01 . 1 . . . . . 16 DC H41 . 52355 7 112 . 1 . 1 16 16 DC H42 H 1 6.523 0.01 . 1 . . . . . 16 DC H42 . 52355 7 113 . 1 . 1 17 17 DT H1' H 1 5.407 0.01 . 1 . . . . . 17 DT H1' . 52355 7 114 . 1 . 1 17 17 DT H2' H 1 0.575 0.01 . 1 . . . . . 17 DT H2' . 52355 7 115 . 1 . 1 17 17 DT H2'' H 1 1.505 0.01 . 1 . . . . . 17 DT H2'' . 52355 7 116 . 1 . 1 17 17 DT H3 H 1 10.723 0.01 . 1 . . . . . 17 DT H3 . 52355 7 117 . 1 . 1 17 17 DT H3' H 1 4.373 0.01 . 1 . . . . . 17 DT H3' . 52355 7 118 . 1 . 1 17 17 DT H4' H 1 4.179 0.01 . 1 . . . . . 17 DT H4' . 52355 7 119 . 1 . 1 17 17 DT H5' H 1 4.118 0.01 . 2 . . . . . 17 DT H5' . 52355 7 120 . 1 . 1 17 17 DT H5'' H 1 3.684 0.01 . 2 . . . . . 17 DT H5'' . 52355 7 121 . 1 . 1 17 17 DT H6 H 1 6.957 0.01 . 1 . . . . . 17 DT H6 . 52355 7 122 . 1 . 1 17 17 DT H71 H 1 1.320 0.01 . 3 . . . . . 17 DT H71 . 52355 7 123 . 1 . 1 17 17 DT H72 H 1 1.320 0.01 . 3 . . . . . 17 DT H72 . 52355 7 124 . 1 . 1 17 17 DT H73 H 1 1.320 0.01 . 3 . . . . . 17 DT H73 . 52355 7 125 . 1 . 1 17 17 DT P P 31 -5.019 0.05 . 1 . . . . . 17 DT P . 52355 7 126 . 1 . 1 18 18 DG H1 H 1 12.925 0.01 . 1 . . . . . 18 DG H1 . 52355 7 127 . 1 . 1 18 18 DG H1' H 1 5.345 0.01 . 1 . . . . . 18 DG H1' . 52355 7 128 . 1 . 1 18 18 DG H2' H 1 2.852 0.01 . 1 . . . . . 18 DG H2' . 52355 7 129 . 1 . 1 18 18 DG H2'' H 1 2.472 0.01 . 1 . . . . . 18 DG H2'' . 52355 7 130 . 1 . 1 18 18 DG H3' H 1 4.975 0.01 . 1 . . . . . 18 DG H3' . 52355 7 131 . 1 . 1 18 18 DG H8 H 1 7.982 0.01 . 1 . . . . . 18 DG H8 . 52355 7 132 . 1 . 1 18 18 DG P P 31 -4.408 0.05 . 1 . . . . . 18 DG P . 52355 7 133 . 1 . 1 19 19 DC H1' H 1 6.247 0.01 . 1 . . . . . 19 DC H1' . 52355 7 134 . 1 . 1 19 19 DC H2' H 1 2.030 0.01 . 1 . . . . . 19 DC H2' . 52355 7 135 . 1 . 1 19 19 DC H2'' H 1 2.375 0.01 . 1 . . . . . 19 DC H2'' . 52355 7 136 . 1 . 1 19 19 DC H3' H 1 4.957 0.01 . 1 . . . . . 19 DC H3' . 52355 7 137 . 1 . 1 19 19 DC H5 H 1 5.881 0.01 . 1 . . . . . 19 DC H5 . 52355 7 138 . 1 . 1 19 19 DC H6 H 1 7.591 0.01 . 1 . . . . . 19 DC H6 . 52355 7 139 . 1 . 1 19 19 DC H41 H 1 7.699 0.01 . 1 . . . . . 19 DC H41 . 52355 7 140 . 1 . 1 19 19 DC P P 31 -2.791 0.05 . 1 . . . . . 19 DC P . 52355 7 141 . 1 . 1 20 20 DC H1' H 1 6.420 0.01 . 1 . . . . . 20 DC H1' . 52355 7 142 . 1 . 1 20 20 DC H2' H 1 2.805 0.01 . 2 . . . . . 20 DC H2' . 52355 7 143 . 1 . 1 20 20 DC H2'' H 1 2.767 0.01 . 2 . . . . . 20 DC H2'' . 52355 7 144 . 1 . 1 20 20 DC H3' H 1 5.154 0.01 . 1 . . . . . 20 DC H3' . 52355 7 145 . 1 . 1 20 20 DC H5 H 1 5.860 0.01 . 1 . . . . . 20 DC H5 . 52355 7 146 . 1 . 1 20 20 DC H6 H 1 7.845 0.01 . 1 . . . . . 20 DC H6 . 52355 7 147 . 1 . 1 20 20 DC H41 H 1 8.848 0.01 . 1 . . . . . 20 DC H41 . 52355 7 148 . 1 . 1 20 20 DC H42 H 1 6.985 0.01 . 1 . . . . . 20 DC H42 . 52355 7 149 . 1 . 1 20 20 DC P P 31 -4.887 0.05 . 1 . . . . . 20 DC P . 52355 7 150 . 1 . 1 21 21 DA H1' H 1 6.312 0.01 . 1 . . . . . 21 DA H1' . 52355 7 151 . 1 . 1 21 21 DA H2' H 1 2.175 0.01 . 1 . . . . . 21 DA H2' . 52355 7 152 . 1 . 1 21 21 DA H2'' H 1 2.811 0.01 . 1 . . . . . 21 DA H2'' . 52355 7 153 . 1 . 1 21 21 DA H3' H 1 5.209 0.01 . 1 . . . . . 21 DA H3' . 52355 7 154 . 1 . 1 21 21 DA H8 H 1 7.832 0.01 . 1 . . . . . 21 DA H8 . 52355 7 155 . 1 . 1 21 21 DA P P 31 -2.951 0.05 . 1 . . . . . 21 DA P . 52355 7 156 . 1 . 1 22 22 DG H1 H 1 13.129 0.01 . 1 . . . . . 22 DG H1 . 52355 7 157 . 1 . 1 22 22 DG H1' H 1 5.947 0.01 . 1 . . . . . 22 DG H1' . 52355 7 158 . 1 . 1 22 22 DG H2' H 1 2.470 0.01 . 2 . . . . . 22 DG H2' . 52355 7 159 . 1 . 1 22 22 DG H2'' H 1 2.537 0.01 . 2 . . . . . 22 DG H2'' . 52355 7 160 . 1 . 1 22 22 DG H3' H 1 4.700 0.01 . 1 . . . . . 22 DG H3' . 52355 7 161 . 1 . 1 22 22 DG H8 H 1 7.967 0.01 . 1 . . . . . 22 DG H8 . 52355 7 162 . 1 . 1 22 22 DG P P 31 -3.922 0.05 . 1 . . . . . 22 DG P . 52355 7 163 . 1 . 1 23 23 DC H1' H 1 5.467 0.01 . 1 . . . . . 23 DC H1' . 52355 7 164 . 1 . 1 23 23 DC H2' H 1 1.783 0.01 . 1 . . . . . 23 DC H2' . 52355 7 165 . 1 . 1 23 23 DC H2'' H 1 2.289 0.01 . 1 . . . . . 23 DC H2'' . 52355 7 166 . 1 . 1 23 23 DC H3' H 1 4.455 0.01 . 1 . . . . . 23 DC H3' . 52355 7 167 . 1 . 1 23 23 DC H5 H 1 6.179 0.01 . 1 . . . . . 23 DC H5 . 52355 7 168 . 1 . 1 23 23 DC H6 H 1 7.605 0.01 . 1 . . . . . 23 DC H6 . 52355 7 169 . 1 . 1 23 23 DC P P 31 -3.540 0.05 . 1 . . . . . 23 DC P . 52355 7 170 . 1 . 1 24 24 DG H1 H 1 13.276 0.01 . 1 . . . . . 24 DG H1 . 52355 7 171 . 1 . 1 24 24 DG H1' H 1 5.768 0.01 . 1 . . . . . 24 DG H1' . 52355 7 172 . 1 . 1 24 24 DG H2' H 1 2.584 0.01 . 1 . . . . . 24 DG H2' . 52355 7 173 . 1 . 1 24 24 DG H2'' H 1 2.834 0.01 . 1 . . . . . 24 DG H2'' . 52355 7 174 . 1 . 1 24 24 DG H3' H 1 4.722 0.01 . 1 . . . . . 24 DG H3' . 52355 7 175 . 1 . 1 24 24 DG H8 H 1 7.751 0.01 . 1 . . . . . 24 DG H8 . 52355 7 176 . 1 . 1 24 24 DG P P 31 -3.954 0.05 . 1 . . . . . 24 DG P . 52355 7 177 . 1 . 1 25 25 DG H1 H 1 12.523 0.01 . 1 . . . . . 25 DG H1 . 52355 7 178 . 1 . 1 25 25 DG H1' H 1 5.144 0.01 . 1 . . . . . 25 DG H1' . 52355 7 179 . 1 . 1 25 25 DG H2' H 1 2.441 0.01 . 1 . . . . . 25 DG H2' . 52355 7 180 . 1 . 1 25 25 DG H2'' H 1 2.295 0.01 . 1 . . . . . 25 DG H2'' . 52355 7 181 . 1 . 1 25 25 DG H3' H 1 4.774 0.01 . 1 . . . . . 25 DG H3' . 52355 7 182 . 1 . 1 25 25 DG H8 H 1 7.736 0.01 . 1 . . . . . 25 DG H8 . 52355 7 183 . 1 . 1 26 26 DC H1' H 1 6.045 0.01 . 1 . . . . . 26 DC H1' . 52355 7 184 . 1 . 1 26 26 DC H2' H 1 2.183 0.01 . 2 . . . . . 26 DC H2' . 52355 7 185 . 1 . 1 26 26 DC H2'' H 1 2.452 0.01 . 2 . . . . . 26 DC H2'' . 52355 7 186 . 1 . 1 26 26 DC H3' H 1 4.701 0.01 . 1 . . . . . 26 DC H3' . 52355 7 187 . 1 . 1 26 26 DC H5 H 1 5.651 0.01 . 1 . . . . . 26 DC H5 . 52355 7 188 . 1 . 1 26 26 DC H6 H 1 7.439 0.01 . 1 . . . . . 26 DC H6 . 52355 7 189 . 1 . 1 26 26 DC H41 H 1 8.038 0.01 . 1 . . . . . 26 DC H41 . 52355 7 190 . 1 . 1 26 26 DC H42 H 1 6.777 0.01 . 1 . . . . . 26 DC H42 . 52355 7 191 . 1 . 1 26 26 DC P P 31 -3.202 0.05 . 1 . . . . . 26 DC P . 52355 7 192 . 1 . 1 27 27 DT H1' H 1 6.140 0.01 . 1 . . . . . 27 DT H1' . 52355 7 193 . 1 . 1 27 27 DT H2' H 1 1.597 0.01 . 1 . . . . . 27 DT H2' . 52355 7 194 . 1 . 1 27 27 DT H2'' H 1 2.279 0.01 . 1 . . . . . 27 DT H2'' . 52355 7 195 . 1 . 1 27 27 DT H3' H 1 4.653 0.01 . 1 . . . . . 27 DT H3' . 52355 7 196 . 1 . 1 27 27 DT H6 H 1 7.227 0.01 . 1 . . . . . 27 DT H6 . 52355 7 197 . 1 . 1 27 27 DT H71 H 1 1.645 0.01 . 3 . . . . . 27 DT H71 . 52355 7 198 . 1 . 1 27 27 DT H72 H 1 1.645 0.01 . 3 . . . . . 27 DT H72 . 52355 7 199 . 1 . 1 27 27 DT H73 H 1 1.645 0.01 . 3 . . . . . 27 DT H73 . 52355 7 200 . 1 . 1 27 27 DT P P 31 -4.868 0.05 . 1 . . . . . 27 DT P . 52355 7 201 . 1 . 1 28 28 DC H1' H 1 5.986 0.01 . 1 . . . . . 28 DC H1' . 52355 7 202 . 1 . 1 28 28 DC H2' H 1 2.164 0.01 . 2 . . . . . 28 DC H2' . 52355 7 203 . 1 . 1 28 28 DC H2'' H 1 2.381 0.01 . 2 . . . . . 28 DC H2'' . 52355 7 204 . 1 . 1 28 28 DC H3' H 1 4.882 0.01 . 1 . . . . . 28 DC H3' . 52355 7 205 . 1 . 1 28 28 DC H5 H 1 5.576 0.01 . 1 . . . . . 28 DC H5 . 52355 7 206 . 1 . 1 28 28 DC H6 H 1 7.278 0.01 . 1 . . . . . 28 DC H6 . 52355 7 207 . 1 . 1 28 28 DC H41 H 1 8.687 0.01 . 1 . . . . . 28 DC H41 . 52355 7 208 . 1 . 1 28 28 DC H42 H 1 7.240 0.01 . 1 . . . . . 28 DC H42 . 52355 7 209 . 1 . 1 28 28 DC P P 31 -4.637 0.05 . 1 . . . . . 28 DC P . 52355 7 210 . 1 . 1 29 29 DG H3' H 1 5.001 0.01 . 1 . . . . . 29 DG H3' . 52355 7 211 . 1 . 1 29 29 DG H8 H 1 8.127 0.01 . 1 . . . . . 29 DG H8 . 52355 7 212 . 1 . 1 30 30 DA H1' H 1 5.094 0.01 . 1 . . . . . 30 DA H1' . 52355 7 213 . 1 . 1 30 30 DA H2'' H 1 2.273 0.01 . 2 . . . . . 30 DA H2'' . 52355 7 214 . 1 . 1 30 30 DA H3' H 1 4.641 0.01 . 1 . . . . . 30 DA H3' . 52355 7 215 . 1 . 1 30 30 DA H8 H 1 8.038 0.01 . 1 . . . . . 30 DA H8 . 52355 7 216 . 1 . 1 30 30 DA P P 31 -2.628 0.05 . 1 . . . . . 30 DA P . 52355 7 217 . 1 . 1 31 31 DC H1' H 1 4.898 0.01 . 1 . . . . . 31 DC H1' . 52355 7 218 . 1 . 1 31 31 DC H2' H 1 2.137 0.01 . 1 . . . . . 31 DC H2' . 52355 7 219 . 1 . 1 31 31 DC H2'' H 1 2.290 0.01 . 1 . . . . . 31 DC H2'' . 52355 7 220 . 1 . 1 31 31 DC H3' H 1 4.782 0.01 . 1 . . . . . 31 DC H3' . 52355 7 221 . 1 . 1 31 31 DC H5 H 1 5.757 0.01 . 1 . . . . . 31 DC H5 . 52355 7 222 . 1 . 1 31 31 DC H6 H 1 7.425 0.01 . 1 . . . . . 31 DC H6 . 52355 7 223 . 1 . 1 31 31 DC H41 H 1 8.488 0.01 . 1 . . . . . 31 DC H41 . 52355 7 224 . 1 . 1 31 31 DC H42 H 1 7.039 0.01 . 1 . . . . . 31 DC H42 . 52355 7 225 . 1 . 1 31 31 DC P P 31 -4.775 0.05 . 1 . . . . . 31 DC P . 52355 7 226 . 1 . 1 32 32 DG H1 H 1 13.241 0.01 . 1 . . . . . 32 DG H1 . 52355 7 227 . 1 . 1 32 32 DG H1' H 1 5.715 0.01 . 1 . . . . . 32 DG H1' . 52355 7 228 . 1 . 1 32 32 DG H2' H 1 2.729 0.01 . 1 . . . . . 32 DG H2' . 52355 7 229 . 1 . 1 32 32 DG H2'' H 1 2.835 0.01 . 1 . . . . . 32 DG H2'' . 52355 7 230 . 1 . 1 32 32 DG H3' H 1 5.046 0.01 . 1 . . . . . 32 DG H3' . 52355 7 231 . 1 . 1 32 32 DG H8 H 1 7.889 0.01 . 1 . . . . . 32 DG H8 . 52355 7 232 . 1 . 1 32 32 DG P P 31 -3.458 0.05 . 1 . . . . . 32 DG P . 52355 7 233 . 1 . 1 33 33 DG H1 H 1 13.044 0.01 . 1 . . . . . 33 DG H1 . 52355 7 234 . 1 . 1 33 33 DG H1' H 1 5.875 0.01 . 1 . . . . . 33 DG H1' . 52355 7 235 . 1 . 1 33 33 DG H2' H 1 2.586 0.01 . 1 . . . . . 33 DG H2' . 52355 7 236 . 1 . 1 33 33 DG H2'' H 1 2.721 0.01 . 1 . . . . . 33 DG H2'' . 52355 7 237 . 1 . 1 33 33 DG H3' H 1 5.015 0.01 . 1 . . . . . 33 DG H3' . 52355 7 238 . 1 . 1 33 33 DG H8 H 1 7.809 0.01 . 1 . . . . . 33 DG H8 . 52355 7 239 . 1 . 1 33 33 DG P P 31 -4.311 0.05 . 1 . . . . . 33 DG P . 52355 7 240 . 1 . 1 34 34 DC H1' H 1 5.736 0.01 . 1 . . . . . 34 DC H1' . 52355 7 241 . 1 . 1 34 34 DC H2'' H 1 2.341 0.01 . 1 . . . . . 34 DC H2'' . 52355 7 242 . 1 . 1 34 34 DC H3' H 1 4.831 0.01 . 1 . . . . . 34 DC H3' . 52355 7 243 . 1 . 1 34 34 DC H5 H 1 5.448 0.01 . 1 . . . . . 34 DC H5 . 52355 7 244 . 1 . 1 34 34 DC H6 H 1 7.315 0.01 . 1 . . . . . 34 DC H6 . 52355 7 245 . 1 . 1 34 34 DC H41 H 1 8.427 0.01 . 1 . . . . . 34 DC H41 . 52355 7 246 . 1 . 1 34 34 DC H42 H 1 6.631 0.01 . 1 . . . . . 34 DC H42 . 52355 7 247 . 1 . 1 34 34 DC P P 31 -4.078 0.05 . 1 . . . . . 34 DC P . 52355 7 248 . 1 . 1 35 35 DG H1' H 1 6.167 0.01 . 1 . . . . . 35 DG H1' . 52355 7 249 . 1 . 1 35 35 DG H2' H 1 2.628 0.01 . 1 . . . . . 35 DG H2' . 52355 7 250 . 1 . 1 35 35 DG H2'' H 1 2.389 0.01 . 1 . . . . . 35 DG H2'' . 52355 7 251 . 1 . 1 35 35 DG H3' H 1 4.699 0.01 . 1 . . . . . 35 DG H3' . 52355 7 252 . 1 . 1 35 35 DG H8 H 1 7.942 0.01 . 1 . . . . . 35 DG H8 . 52355 7 253 . 1 . 1 35 35 DG P P 31 -3.932 0.05 . 1 . . . . . 35 DG P . 52355 7 stop_ save_ save_assigned_chemical_shifts_8 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_8 _Assigned_chem_shift_list.Entry_ID 52355 _Assigned_chem_shift_list.ID 8 _Assigned_chem_shift_list.Name list_8 _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 8 '2D 1H-1H NOESY' . . . 52355 8 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52355 8 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 DC H1' H 1 5.793 0.01 . 1 . . . . . 1 DC H1' . 52355 8 2 . 1 . 1 1 1 DC H2' H 1 2.026 0.01 . 1 . . . . . 1 DC H2' . 52355 8 3 . 1 . 1 1 1 DC H2'' H 1 2.468 0.01 . 1 . . . . . 1 DC H2'' . 52355 8 4 . 1 . 1 1 1 DC H3' H 1 4.745 0.01 . 1 . . . . . 1 DC H3' . 52355 8 5 . 1 . 1 1 1 DC H5 H 1 5.965 0.01 . 1 . . . . . 1 DC H5 . 52355 8 6 . 1 . 1 1 1 DC H6 H 1 7.684 0.01 . 1 . . . . . 1 DC H6 . 52355 8 7 . 1 . 1 2 2 DG H1 H 1 13.127 0.01 . 1 . . . . . 2 DG H1 . 52355 8 8 . 1 . 1 2 2 DG H1' H 1 5.930 0.01 . 1 . . . . . 2 DG H1' . 52355 8 9 . 1 . 1 2 2 DG H2' H 1 2.740 0.01 . 1 . . . . . 2 DG H2' . 52355 8 10 . 1 . 1 2 2 DG H2'' H 1 2.761 0.01 . 1 . . . . . 2 DG H2'' . 52355 8 11 . 1 . 1 2 2 DG H3' H 1 5.018 0.01 . 1 . . . . . 2 DG H3' . 52355 8 12 . 1 . 1 2 2 DG H8 H 1 8.031 0.01 . 1 . . . . . 2 DG H8 . 52355 8 13 . 1 . 1 2 2 DG P P 31 -4.053 0.05 . 1 . . . . . 2 DG P . 52355 8 14 . 1 . 1 3 3 DC H1' H 1 6.063 0.01 . 1 . . . . . 3 DC H1' . 52355 8 15 . 1 . 1 3 3 DC H2' H 1 2.157 0.01 . 1 . . . . . 3 DC H2' . 52355 8 16 . 1 . 1 3 3 DC H2'' H 1 2.503 0.01 . 1 . . . . . 3 DC H2'' . 52355 8 17 . 1 . 1 3 3 DC H3' H 1 4.898 0.01 . 1 . . . . . 3 DC H3' . 52355 8 18 . 1 . 1 3 3 DC H5 H 1 5.458 0.01 . 1 . . . . . 3 DC H5 . 52355 8 19 . 1 . 1 3 3 DC H6 H 1 7.488 0.01 . 1 . . . . . 3 DC H6 . 52355 8 20 . 1 . 1 3 3 DC H41 H 1 8.225 0.01 . 1 . . . . . 3 DC H41 . 52355 8 21 . 1 . 1 3 3 DC H42 H 1 6.470 0.01 . 1 . . . . . 3 DC H42 . 52355 8 22 . 1 . 1 3 3 DC P P 31 -4.147 0.05 . 1 . . . . . 3 DC P . 52355 8 23 . 1 . 1 4 4 DC H1' H 1 5.607 0.01 . 1 . . . . . 4 DC H1' . 52355 8 24 . 1 . 1 4 4 DC H2' H 1 1.785 0.01 . 1 . . . . . 4 DC H2' . 52355 8 25 . 1 . 1 4 4 DC H2'' H 1 2.192 0.01 . 1 . . . . . 4 DC H2'' . 52355 8 26 . 1 . 1 4 4 DC H3' H 1 4.824 0.01 . 1 . . . . . 4 DC H3' . 52355 8 27 . 1 . 1 4 4 DC H5 H 1 5.617 0.01 . 1 . . . . . 4 DC H5 . 52355 8 28 . 1 . 1 4 4 DC H6 H 1 7.358 0.01 . 1 . . . . . 4 DC H6 . 52355 8 29 . 1 . 1 4 4 DC H41 H 1 8.473 0.01 . 1 . . . . . 4 DC H41 . 52355 8 30 . 1 . 1 4 4 DC H42 H 1 6.950 0.01 . 1 . . . . . 4 DC H42 . 52355 8 31 . 1 . 1 5 5 DG H1 H 1 12.918 0.01 . 1 . . . . . 5 DG H1 . 52355 8 32 . 1 . 1 5 5 DG H1' H 1 5.958 0.01 . 1 . . . . . 5 DG H1' . 52355 8 33 . 1 . 1 5 5 DG H2' H 1 2.211 0.01 . 1 . . . . . 5 DG H2' . 52355 8 34 . 1 . 1 5 5 DG H2'' H 1 2.430 0.01 . 1 . . . . . 5 DG H2'' . 52355 8 35 . 1 . 1 5 5 DG H3' H 1 4.977 0.01 . 1 . . . . . 5 DG H3' . 52355 8 36 . 1 . 1 6 6 DG H1' H 1 5.766 0.01 . 1 . . . . . 6 DG H1' . 52355 8 37 . 1 . 1 6 6 DG H2' H 1 3.121 0.01 . 2 . . . . . 6 DG H2' . 52355 8 38 . 1 . 1 6 6 DG H2'' H 1 3.188 0.01 . 2 . . . . . 6 DG H2'' . 52355 8 39 . 1 . 1 6 6 DG H3' H 1 5.266 0.01 . 1 . . . . . 6 DG H3' . 52355 8 40 . 1 . 1 6 6 DG H8 H 1 8.340 0.01 . 1 . . . . . 6 DG H8 . 52355 8 41 . 1 . 1 7 7 DG H1 H 1 11.687 0.01 . 1 . . . . . 7 DG H1 . 52355 8 42 . 1 . 1 7 7 DG H1' H 1 6.394 0.01 . 1 . . . . . 7 DG H1' . 52355 8 43 . 1 . 1 7 7 DG H2' H 1 3.229 0.01 . 2 . . . . . 7 DG H2' . 52355 8 44 . 1 . 1 7 7 DG H2'' H 1 3.029 0.01 . 2 . . . . . 7 DG H2'' . 52355 8 45 . 1 . 1 7 7 DG H3' H 1 4.898 0.01 . 1 . . . . . 7 DG H3' . 52355 8 46 . 1 . 1 7 7 DG H8 H 1 8.479 0.01 . 1 . . . . . 7 DG H8 . 52355 8 47 . 1 . 1 7 7 DG P P 31 -3.879 0.05 . 1 . . . . . 7 DG P . 52355 8 48 . 1 . 1 8 8 DG H1 H 1 12.801 0.01 . 1 . . . . . 8 DG H1 . 52355 8 49 . 1 . 1 8 8 DG H1' H 1 6.012 0.01 . 1 . . . . . 8 DG H1' . 52355 8 50 . 1 . 1 8 8 DG H2' H 1 2.571 0.01 . 2 . . . . . 8 DG H2' . 52355 8 51 . 1 . 1 8 8 DG H2'' H 1 2.842 0.01 . 2 . . . . . 8 DG H2'' . 52355 8 52 . 1 . 1 8 8 DG H3' H 1 4.895 0.01 . 1 . . . . . 8 DG H3' . 52355 8 53 . 1 . 1 8 8 DG H8 H 1 7.779 0.01 . 1 . . . . . 8 DG H8 . 52355 8 54 . 1 . 1 9 9 DT H1' H 1 6.065 0.01 . 1 . . . . . 9 DT H1' . 52355 8 55 . 1 . 1 9 9 DT H2' H 1 1.864 0.01 . 2 . . . . . 9 DT H2' . 52355 8 56 . 1 . 1 9 9 DT H2'' H 1 2.424 0.01 . 2 . . . . . 9 DT H2'' . 52355 8 57 . 1 . 1 9 9 DT H3 H 1 13.910 0.01 . 1 . . . . . 9 DT H3 . 52355 8 58 . 1 . 1 9 9 DT H3' H 1 4.783 0.01 . 1 . . . . . 9 DT H3' . 52355 8 59 . 1 . 1 9 9 DT H6 H 1 7.442 0.01 . 1 . . . . . 9 DT H6 . 52355 8 60 . 1 . 1 9 9 DT H71 H 1 1.386 0.01 . 3 . . . . . 9 DT H71 . 52355 8 61 . 1 . 1 9 9 DT H72 H 1 1.386 0.01 . 3 . . . . . 9 DT H72 . 52355 8 62 . 1 . 1 9 9 DT H73 H 1 1.386 0.01 . 3 . . . . . 9 DT H73 . 52355 8 63 . 1 . 1 10 10 DC H1' H 1 6.019 0.01 . 1 . . . . . 10 DC H1' . 52355 8 64 . 1 . 1 10 10 DC H2' H 1 1.758 0.01 . 1 . . . . . 10 DC H2' . 52355 8 65 . 1 . 1 10 10 DC H2'' H 1 2.280 0.01 . 1 . . . . . 10 DC H2'' . 52355 8 66 . 1 . 1 10 10 DC H3' H 1 4.836 0.01 . 1 . . . . . 10 DC H3' . 52355 8 67 . 1 . 1 10 10 DC H5 H 1 5.445 0.01 . 1 . . . . . 10 DC H5 . 52355 8 68 . 1 . 1 10 10 DC H6 H 1 7.235 0.01 . 1 . . . . . 10 DC H6 . 52355 8 69 . 1 . 1 10 10 DC H41 H 1 8.502 0.01 . 1 . . . . . 10 DC H41 . 52355 8 70 . 1 . 1 10 10 DC H42 H 1 7.159 0.01 . 1 . . . . . 10 DC H42 . 52355 8 71 . 1 . 1 11 11 DG H1' H 1 5.346 0.01 . 1 . . . . . 11 DG H1' . 52355 8 72 . 1 . 1 11 11 DG H2' H 1 2.704 0.01 . 1 . . . . . 11 DG H2' . 52355 8 73 . 1 . 1 11 11 DG H2'' H 1 2.574 0.01 . 1 . . . . . 11 DG H2'' . 52355 8 74 . 1 . 1 11 11 DG H3' H 1 4.927 0.01 . 1 . . . . . 11 DG H3' . 52355 8 75 . 1 . 1 11 11 DG H8 H 1 8.147 0.01 . 1 . . . . . 11 DG H8 . 52355 8 76 . 1 . 1 12 12 DA H1' H 1 5.976 0.01 . 1 . . . . . 12 DA H1' . 52355 8 77 . 1 . 1 12 12 DA H2' H 1 2.256 0.01 . 1 . . . . . 12 DA H2' . 52355 8 78 . 1 . 1 12 12 DA H2'' H 1 2.326 0.01 . 1 . . . . . 12 DA H2'' . 52355 8 79 . 1 . 1 12 12 DA H3' H 1 4.580 0.01 . 1 . . . . . 12 DA H3' . 52355 8 80 . 1 . 1 12 12 DA H5' H 1 3.400 0.01 . 2 . . . . . 12 DA H5' . 52355 8 81 . 1 . 1 12 12 DA H5'' H 1 3.091 0.01 . 2 . . . . . 12 DA H5'' . 52355 8 82 . 1 . 1 12 12 DA H8 H 1 8.138 0.01 . 1 . . . . . 12 DA H8 . 52355 8 83 . 1 . 1 13 13 DA H1' H 1 6.271 0.01 . 1 . . . . . 13 DA H1' . 52355 8 84 . 1 . 1 13 13 DA H2' H 1 2.728 0.01 . 2 . . . . . 13 DA H2' . 52355 8 85 . 1 . 1 13 13 DA H2'' H 1 2.851 0.01 . 2 . . . . . 13 DA H2'' . 52355 8 86 . 1 . 1 14 14 DG H1 H 1 12.983 0.01 . 1 . . . . . 14 DG H1 . 52355 8 87 . 1 . 1 14 14 DG H1' H 1 5.030 0.01 . 1 . . . . . 14 DG H1' . 52355 8 88 . 1 . 1 14 14 DG H2' H 1 2.656 0.01 . 1 . . . . . 14 DG H2' . 52355 8 89 . 1 . 1 14 14 DG H2'' H 1 2.551 0.01 . 1 . . . . . 14 DG H2'' . 52355 8 90 . 1 . 1 14 14 DG H3' H 1 4.905 0.01 . 1 . . . . . 14 DG H3' . 52355 8 91 . 1 . 1 14 14 DG H8 H 1 8.093 0.01 . 1 . . . . . 14 DG H8 . 52355 8 92 . 1 . 1 15 15 DA H1' H 1 6.251 0.01 . 1 . . . . . 15 DA H1' . 52355 8 93 . 1 . 1 15 15 DA H2 H 1 8.055 0.01 . 1 . . . . . 15 DA H2 . 52355 8 94 . 1 . 1 15 15 DA H2' H 1 2.581 0.01 . 1 . . . . . 15 DA H2' . 52355 8 95 . 1 . 1 15 15 DA H2'' H 1 2.774 0.01 . 1 . . . . . 15 DA H2'' . 52355 8 96 . 1 . 1 15 15 DA H3' H 1 5.038 0.01 . 1 . . . . . 15 DA H3' . 52355 8 97 . 1 . 1 15 15 DA P P 31 -3.488 0.05 . 1 . . . . . 15 DA P . 52355 8 98 . 1 . 1 16 16 DC H1' H 1 5.933 0.01 . 1 . . . . . 16 DC H1' . 52355 8 99 . 1 . 1 16 16 DC H2' H 1 1.976 0.01 . 1 . . . . . 16 DC H2' . 52355 8 100 . 1 . 1 16 16 DC H2'' H 1 2.317 0.01 . 1 . . . . . 16 DC H2'' . 52355 8 101 . 1 . 1 16 16 DC H3' H 1 4.814 0.01 . 1 . . . . . 16 DC H3' . 52355 8 102 . 1 . 1 16 16 DC H5 H 1 4.996 0.01 . 1 . . . . . 16 DC H5 . 52355 8 103 . 1 . 1 16 16 DC H6 H 1 7.246 0.01 . 1 . . . . . 16 DC H6 . 52355 8 104 . 1 . 1 16 16 DC H41 H 1 8.107 0.01 . 1 . . . . . 16 DC H41 . 52355 8 105 . 1 . 1 16 16 DC H42 H 1 6.576 0.01 . 1 . . . . . 16 DC H42 . 52355 8 106 . 1 . 1 17 17 DT H1' H 1 5.425 0.01 . 1 . . . . . 17 DT H1' . 52355 8 107 . 1 . 1 17 17 DT H2' H 1 0.632 0.01 . 1 . . . . . 17 DT H2' . 52355 8 108 . 1 . 1 17 17 DT H2'' H 1 1.555 0.01 . 1 . . . . . 17 DT H2'' . 52355 8 109 . 1 . 1 17 17 DT H3 H 1 10.753 0.01 . 1 . . . . . 17 DT H3 . 52355 8 110 . 1 . 1 17 17 DT H3' H 1 4.397 0.01 . 1 . . . . . 17 DT H3' . 52355 8 111 . 1 . 1 17 17 DT H5'' H 1 3.707 0.01 . 2 . . . . . 17 DT H5'' . 52355 8 112 . 1 . 1 17 17 DT H6 H 1 6.975 0.01 . 1 . . . . . 17 DT H6 . 52355 8 113 . 1 . 1 17 17 DT H71 H 1 1.335 0.01 . 3 . . . . . 17 DT H71 . 52355 8 114 . 1 . 1 17 17 DT H72 H 1 1.335 0.01 . 3 . . . . . 17 DT H72 . 52355 8 115 . 1 . 1 17 17 DT H73 H 1 1.335 0.01 . 3 . . . . . 17 DT H73 . 52355 8 116 . 1 . 1 17 17 DT P P 31 -4.983 0.05 . 1 . . . . . 17 DT P . 52355 8 117 . 1 . 1 18 18 DG H1 H 1 12.909 0.01 . 1 . . . . . 18 DG H1 . 52355 8 118 . 1 . 1 18 18 DG H1' H 1 5.376 0.01 . 1 . . . . . 18 DG H1' . 52355 8 119 . 1 . 1 18 18 DG H2' H 1 2.850 0.01 . 1 . . . . . 18 DG H2' . 52355 8 120 . 1 . 1 18 18 DG H2'' H 1 2.494 0.01 . 1 . . . . . 18 DG H2'' . 52355 8 121 . 1 . 1 18 18 DG H3' H 1 4.973 0.01 . 1 . . . . . 18 DG H3' . 52355 8 122 . 1 . 1 18 18 DG H8 H 1 7.979 0.01 . 1 . . . . . 18 DG H8 . 52355 8 123 . 1 . 1 19 19 DC H1' H 1 6.216 0.01 . 1 . . . . . 19 DC H1' . 52355 8 124 . 1 . 1 19 19 DC H2' H 1 2.033 0.01 . 1 . . . . . 19 DC H2' . 52355 8 125 . 1 . 1 19 19 DC H2'' H 1 2.381 0.01 . 1 . . . . . 19 DC H2'' . 52355 8 126 . 1 . 1 19 19 DC H3' H 1 4.953 0.01 . 1 . . . . . 19 DC H3' . 52355 8 127 . 1 . 1 19 19 DC H5 H 1 5.865 0.01 . 1 . . . . . 19 DC H5 . 52355 8 128 . 1 . 1 19 19 DC H6 H 1 7.589 0.01 . 1 . . . . . 19 DC H6 . 52355 8 129 . 1 . 1 19 19 DC H41 H 1 7.764 0.01 . 1 . . . . . 19 DC H41 . 52355 8 130 . 1 . 1 19 19 DC H42 H 1 6.715 0.01 . 1 . . . . . 19 DC H42 . 52355 8 131 . 1 . 1 19 19 DC P P 31 -2.904 0.05 . 1 . . . . . 19 DC P . 52355 8 132 . 1 . 1 20 20 DC H1' H 1 6.447 0.01 . 1 . . . . . 20 DC H1' . 52355 8 133 . 1 . 1 20 20 DC H2' H 1 2.766 0.01 . 2 . . . . . 20 DC H2' . 52355 8 134 . 1 . 1 20 20 DC H2'' H 1 2.766 0.01 . 2 . . . . . 20 DC H2'' . 52355 8 135 . 1 . 1 20 20 DC H3' H 1 5.158 0.01 . 1 . . . . . 20 DC H3' . 52355 8 136 . 1 . 1 20 20 DC H5 H 1 5.870 0.01 . 1 . . . . . 20 DC H5 . 52355 8 137 . 1 . 1 20 20 DC H6 H 1 7.865 0.01 . 1 . . . . . 20 DC H6 . 52355 8 138 . 1 . 1 20 20 DC H41 H 1 8.907 0.01 . 1 . . . . . 20 DC H41 . 52355 8 139 . 1 . 1 20 20 DC H42 H 1 7.058 0.01 . 1 . . . . . 20 DC H42 . 52355 8 140 . 1 . 1 20 20 DC P P 31 -4.894 0.05 . 1 . . . . . 20 DC P . 52355 8 141 . 1 . 1 21 21 DA H1' H 1 6.324 0.01 . 1 . . . . . 21 DA H1' . 52355 8 142 . 1 . 1 21 21 DA H2' H 1 2.138 0.01 . 1 . . . . . 21 DA H2' . 52355 8 143 . 1 . 1 21 21 DA H2'' H 1 2.809 0.01 . 1 . . . . . 21 DA H2'' . 52355 8 144 . 1 . 1 21 21 DA H3' H 1 5.199 0.01 . 1 . . . . . 21 DA H3' . 52355 8 145 . 1 . 1 21 21 DA H8 H 1 7.882 0.01 . 1 . . . . . 21 DA H8 . 52355 8 146 . 1 . 1 21 21 DA P P 31 -3.109 0.05 . 1 . . . . . 21 DA P . 52355 8 147 . 1 . 1 22 22 DG H1 H 1 13.161 0.01 . 1 . . . . . 22 DG H1 . 52355 8 148 . 1 . 1 22 22 DG H1' H 1 5.964 0.01 . 1 . . . . . 22 DG H1' . 52355 8 149 . 1 . 1 22 22 DG H2' H 1 2.483 0.01 . 2 . . . . . 22 DG H2' . 52355 8 150 . 1 . 1 22 22 DG H2'' H 1 2.539 0.01 . 2 . . . . . 22 DG H2'' . 52355 8 151 . 1 . 1 22 22 DG H3' H 1 4.696 0.01 . 1 . . . . . 22 DG H3' . 52355 8 152 . 1 . 1 22 22 DG H8 H 1 8.001 0.01 . 1 . . . . . 22 DG H8 . 52355 8 153 . 1 . 1 22 22 DG P P 31 -3.914 0.05 . 1 . . . . . 22 DG P . 52355 8 154 . 1 . 1 23 23 DC H1' H 1 5.492 0.01 . 1 . . . . . 23 DC H1' . 52355 8 155 . 1 . 1 23 23 DC H2' H 1 1.814 0.01 . 1 . . . . . 23 DC H2' . 52355 8 156 . 1 . 1 23 23 DC H2'' H 1 2.293 0.01 . 1 . . . . . 23 DC H2'' . 52355 8 157 . 1 . 1 23 23 DC H3' H 1 4.467 0.01 . 1 . . . . . 23 DC H3' . 52355 8 158 . 1 . 1 23 23 DC H5 H 1 6.225 0.01 . 1 . . . . . 23 DC H5 . 52355 8 159 . 1 . 1 23 23 DC H6 H 1 7.650 0.01 . 1 . . . . . 23 DC H6 . 52355 8 160 . 1 . 1 23 23 DC H41 H 1 8.775 0.01 . 1 . . . . . 23 DC H41 . 52355 8 161 . 1 . 1 23 23 DC P P 31 -3.550 0.05 . 1 . . . . . 23 DC P . 52355 8 162 . 1 . 1 24 24 DG H1 H 1 13.235 0.01 . 1 . . . . . 24 DG H1 . 52355 8 163 . 1 . 1 24 24 DG H1' H 1 5.732 0.01 . 1 . . . . . 24 DG H1' . 52355 8 164 . 1 . 1 24 24 DG H2' H 1 2.582 0.01 . 1 . . . . . 24 DG H2' . 52355 8 165 . 1 . 1 24 24 DG H2'' H 1 2.823 0.01 . 1 . . . . . 24 DG H2'' . 52355 8 166 . 1 . 1 24 24 DG H3' H 1 4.748 0.01 . 1 . . . . . 24 DG H3' . 52355 8 167 . 1 . 1 24 24 DG H8 H 1 7.722 0.01 . 1 . . . . . 24 DG H8 . 52355 8 168 . 1 . 1 24 24 DG P P 31 -3.922 0.05 . 1 . . . . . 24 DG P . 52355 8 169 . 1 . 1 25 25 DG H1 H 1 12.560 0.01 . 1 . . . . . 25 DG H1 . 52355 8 170 . 1 . 1 25 25 DG H1' H 1 5.185 0.01 . 1 . . . . . 25 DG H1' . 52355 8 171 . 1 . 1 25 25 DG H2' H 1 2.466 0.01 . 1 . . . . . 25 DG H2' . 52355 8 172 . 1 . 1 25 25 DG H2'' H 1 2.316 0.01 . 1 . . . . . 25 DG H2'' . 52355 8 173 . 1 . 1 25 25 DG H3' H 1 4.785 0.01 . 1 . . . . . 25 DG H3' . 52355 8 174 . 1 . 1 25 25 DG H8 H 1 7.760 0.01 . 1 . . . . . 25 DG H8 . 52355 8 175 . 1 . 1 26 26 DC H1' H 1 6.075 0.01 . 1 . . . . . 26 DC H1' . 52355 8 176 . 1 . 1 26 26 DC H2' H 1 2.214 0.01 . 2 . . . . . 26 DC H2' . 52355 8 177 . 1 . 1 26 26 DC H2'' H 1 2.450 0.01 . 2 . . . . . 26 DC H2'' . 52355 8 178 . 1 . 1 26 26 DC H3' H 1 4.725 0.01 . 1 . . . . . 26 DC H3' . 52355 8 179 . 1 . 1 26 26 DC H5 H 1 5.647 0.01 . 1 . . . . . 26 DC H5 . 52355 8 180 . 1 . 1 26 26 DC H6 H 1 7.453 0.01 . 1 . . . . . 26 DC H6 . 52355 8 181 . 1 . 1 26 26 DC H41 H 1 8.077 0.01 . 1 . . . . . 26 DC H41 . 52355 8 182 . 1 . 1 26 26 DC H42 H 1 6.804 0.01 . 1 . . . . . 26 DC H42 . 52355 8 183 . 1 . 1 26 26 DC P P 31 -3.308 0.05 . 1 . . . . . 26 DC P . 52355 8 184 . 1 . 1 27 27 DT H1' H 1 6.127 0.01 . 1 . . . . . 27 DT H1' . 52355 8 185 . 1 . 1 27 27 DT H3' H 1 4.656 0.01 . 1 . . . . . 27 DT H3' . 52355 8 186 . 1 . 1 27 27 DT H6 H 1 7.239 0.01 . 1 . . . . . 27 DT H6 . 52355 8 187 . 1 . 1 27 27 DT H71 H 1 1.647 0.01 . 3 . . . . . 27 DT H71 . 52355 8 188 . 1 . 1 27 27 DT H72 H 1 1.647 0.01 . 3 . . . . . 27 DT H72 . 52355 8 189 . 1 . 1 27 27 DT H73 H 1 1.647 0.01 . 3 . . . . . 27 DT H73 . 52355 8 190 . 1 . 1 28 28 DC H1' H 1 5.984 0.01 . 1 . . . . . 28 DC H1' . 52355 8 191 . 1 . 1 28 28 DC H2' H 1 2.165 0.01 . 2 . . . . . 28 DC H2' . 52355 8 192 . 1 . 1 28 28 DC H3' H 1 4.883 0.01 . 1 . . . . . 28 DC H3' . 52355 8 193 . 1 . 1 28 28 DC H5 H 1 5.574 0.01 . 1 . . . . . 28 DC H5 . 52355 8 194 . 1 . 1 28 28 DC H6 H 1 7.303 0.01 . 1 . . . . . 28 DC H6 . 52355 8 195 . 1 . 1 28 28 DC H41 H 1 8.698 0.01 . 1 . . . . . 28 DC H41 . 52355 8 196 . 1 . 1 28 28 DC H42 H 1 7.256 0.01 . 1 . . . . . 28 DC H42 . 52355 8 197 . 1 . 1 29 29 DG H3' H 1 5.000 0.01 . 1 . . . . . 29 DG H3' . 52355 8 198 . 1 . 1 29 29 DG H8 H 1 8.147 0.01 . 1 . . . . . 29 DG H8 . 52355 8 199 . 1 . 1 30 30 DA H1' H 1 5.151 0.01 . 1 . . . . . 30 DA H1' . 52355 8 200 . 1 . 1 30 30 DA H2' H 1 1.427 0.01 . 2 . . . . . 30 DA H2' . 52355 8 201 . 1 . 1 30 30 DA H3' H 1 4.666 0.01 . 1 . . . . . 30 DA H3' . 52355 8 202 . 1 . 1 30 30 DA H8 H 1 8.098 0.01 . 1 . . . . . 30 DA H8 . 52355 8 203 . 1 . 1 30 30 DA P P 31 -2.671 0.05 . 1 . . . . . 30 DA P . 52355 8 204 . 1 . 1 31 31 DC H1' H 1 4.990 0.01 . 1 . . . . . 31 DC H1' . 52355 8 205 . 1 . 1 31 31 DC H2' H 1 2.130 0.01 . 1 . . . . . 31 DC H2' . 52355 8 206 . 1 . 1 31 31 DC H2'' H 1 2.305 0.01 . 1 . . . . . 31 DC H2'' . 52355 8 207 . 1 . 1 31 31 DC H3' H 1 4.795 0.01 . 1 . . . . . 31 DC H3' . 52355 8 208 . 1 . 1 31 31 DC H5 H 1 5.718 0.01 . 1 . . . . . 31 DC H5 . 52355 8 209 . 1 . 1 31 31 DC H6 H 1 7.398 0.01 . 1 . . . . . 31 DC H6 . 52355 8 210 . 1 . 1 31 31 DC H41 H 1 8.500 0.01 . 1 . . . . . 31 DC H41 . 52355 8 211 . 1 . 1 31 31 DC H42 H 1 7.058 0.01 . 1 . . . . . 31 DC H42 . 52355 8 212 . 1 . 1 32 32 DG H1 H 1 13.230 0.01 . 1 . . . . . 32 DG H1 . 52355 8 213 . 1 . 1 32 32 DG H1' H 1 5.697 0.01 . 1 . . . . . 32 DG H1' . 52355 8 214 . 1 . 1 32 32 DG H2' H 1 2.740 0.01 . 1 . . . . . 32 DG H2' . 52355 8 215 . 1 . 1 32 32 DG H2'' H 1 2.832 0.01 . 1 . . . . . 32 DG H2'' . 52355 8 216 . 1 . 1 32 32 DG H3' H 1 5.045 0.01 . 1 . . . . . 32 DG H3' . 52355 8 217 . 1 . 1 32 32 DG H8 H 1 7.900 0.01 . 1 . . . . . 32 DG H8 . 52355 8 218 . 1 . 1 32 32 DG P P 31 -3.570 0.05 . 1 . . . . . 32 DG P . 52355 8 219 . 1 . 1 33 33 DG H1 H 1 13.062 0.01 . 1 . . . . . 33 DG H1 . 52355 8 220 . 1 . 1 33 33 DG H1' H 1 5.916 0.01 . 1 . . . . . 33 DG H1' . 52355 8 221 . 1 . 1 33 33 DG H2' H 1 2.596 0.01 . 1 . . . . . 33 DG H2' . 52355 8 222 . 1 . 1 33 33 DG H2'' H 1 2.745 0.01 . 1 . . . . . 33 DG H2'' . 52355 8 223 . 1 . 1 33 33 DG H3' H 1 5.020 0.01 . 1 . . . . . 33 DG H3' . 52355 8 224 . 1 . 1 33 33 DG H8 H 1 7.816 0.01 . 1 . . . . . 33 DG H8 . 52355 8 225 . 1 . 1 33 33 DG P P 31 -4.254 0.05 . 1 . . . . . 33 DG P . 52355 8 226 . 1 . 1 34 34 DC H1' H 1 5.741 0.01 . 1 . . . . . 34 DC H1' . 52355 8 227 . 1 . 1 34 34 DC H2' H 1 1.936 0.01 . 1 . . . . . 34 DC H2' . 52355 8 228 . 1 . 1 34 34 DC H2'' H 1 2.366 0.01 . 1 . . . . . 34 DC H2'' . 52355 8 229 . 1 . 1 34 34 DC H3' H 1 4.845 0.01 . 1 . . . . . 34 DC H3' . 52355 8 230 . 1 . 1 34 34 DC H5 H 1 5.446 0.01 . 1 . . . . . 34 DC H5 . 52355 8 231 . 1 . 1 34 34 DC H6 H 1 7.336 0.01 . 1 . . . . . 34 DC H6 . 52355 8 232 . 1 . 1 34 34 DC H41 H 1 8.494 0.01 . 1 . . . . . 34 DC H41 . 52355 8 233 . 1 . 1 34 34 DC H42 H 1 6.665 0.01 . 1 . . . . . 34 DC H42 . 52355 8 234 . 1 . 1 34 34 DC P P 31 -4.101 0.05 . 1 . . . . . 34 DC P . 52355 8 235 . 1 . 1 35 35 DG H1' H 1 6.196 0.01 . 1 . . . . . 35 DG H1' . 52355 8 236 . 1 . 1 35 35 DG H2' H 1 2.640 0.01 . 1 . . . . . 35 DG H2' . 52355 8 237 . 1 . 1 35 35 DG H2'' H 1 2.383 0.01 . 1 . . . . . 35 DG H2'' . 52355 8 238 . 1 . 1 35 35 DG H3' H 1 4.707 0.01 . 1 . . . . . 35 DG H3' . 52355 8 239 . 1 . 1 35 35 DG H8 H 1 7.973 0.01 . 1 . . . . . 35 DG H8 . 52355 8 240 . 1 . 1 35 35 DG P P 31 -3.920 0.05 . 1 . . . . . 35 DG P . 52355 8 stop_ save_ save_assigned_chemical_shifts_9 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_9 _Assigned_chem_shift_list.Entry_ID 52355 _Assigned_chem_shift_list.ID 9 _Assigned_chem_shift_list.Name list_9 _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 9 '2D 1H-1H NOESY' . . . 52355 9 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52355 9 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 DC H1' H 1 5.788 0.01 . 1 . . . . . 1 DC H1' . 52355 9 2 . 1 . 1 1 1 DC H2' H 1 2.027 0.01 . 1 . . . . . 1 DC H2' . 52355 9 3 . 1 . 1 1 1 DC H2'' H 1 2.468 0.01 . 1 . . . . . 1 DC H2'' . 52355 9 4 . 1 . 1 1 1 DC H3' H 1 4.745 0.01 . 1 . . . . . 1 DC H3' . 52355 9 5 . 1 . 1 1 1 DC H5 H 1 5.961 0.01 . 1 . . . . . 1 DC H5 . 52355 9 6 . 1 . 1 1 1 DC H6 H 1 7.681 0.01 . 1 . . . . . 1 DC H6 . 52355 9 7 . 1 . 1 2 2 DG H1 H 1 13.129 0.01 . 1 . . . . . 2 DG H1 . 52355 9 8 . 1 . 1 2 2 DG H1' H 1 5.927 0.01 . 1 . . . . . 2 DG H1' . 52355 9 9 . 1 . 1 2 2 DG H2' H 1 2.740 0.01 . 1 . . . . . 2 DG H2' . 52355 9 10 . 1 . 1 2 2 DG H2'' H 1 2.761 0.01 . 1 . . . . . 2 DG H2'' . 52355 9 11 . 1 . 1 2 2 DG H3' H 1 5.018 0.01 . 1 . . . . . 2 DG H3' . 52355 9 12 . 1 . 1 2 2 DG H8 H 1 8.032 0.01 . 1 . . . . . 2 DG H8 . 52355 9 13 . 1 . 1 2 2 DG P P 31 -4.034 0.05 . 1 . . . . . 2 DG P . 52355 9 14 . 1 . 1 3 3 DC H1' H 1 6.065 0.01 . 1 . . . . . 3 DC H1' . 52355 9 15 . 1 . 1 3 3 DC H2' H 1 2.163 0.01 . 1 . . . . . 3 DC H2' . 52355 9 16 . 1 . 1 3 3 DC H2'' H 1 2.505 0.01 . 1 . . . . . 3 DC H2'' . 52355 9 17 . 1 . 1 3 3 DC H3' H 1 4.902 0.01 . 1 . . . . . 3 DC H3' . 52355 9 18 . 1 . 1 3 3 DC H5 H 1 5.459 0.01 . 1 . . . . . 3 DC H5 . 52355 9 19 . 1 . 1 3 3 DC H6 H 1 7.491 0.01 . 1 . . . . . 3 DC H6 . 52355 9 20 . 1 . 1 3 3 DC H41 H 1 8.215 0.01 . 1 . . . . . 3 DC H41 . 52355 9 21 . 1 . 1 3 3 DC H42 H 1 6.476 0.01 . 1 . . . . . 3 DC H42 . 52355 9 22 . 1 . 1 3 3 DC P P 31 -4.111 0.05 . 1 . . . . . 3 DC P . 52355 9 23 . 1 . 1 4 4 DC H1' H 1 5.608 0.01 . 1 . . . . . 4 DC H1' . 52355 9 24 . 1 . 1 4 4 DC H2' H 1 1.769 0.01 . 1 . . . . . 4 DC H2' . 52355 9 25 . 1 . 1 4 4 DC H2'' H 1 2.183 0.01 . 1 . . . . . 4 DC H2'' . 52355 9 26 . 1 . 1 4 4 DC H3' H 1 4.822 0.01 . 1 . . . . . 4 DC H3' . 52355 9 27 . 1 . 1 4 4 DC H5 H 1 5.617 0.01 . 1 . . . . . 4 DC H5 . 52355 9 28 . 1 . 1 4 4 DC H6 H 1 7.354 0.01 . 1 . . . . . 4 DC H6 . 52355 9 29 . 1 . 1 4 4 DC H41 H 1 8.462 0.01 . 1 . . . . . 4 DC H41 . 52355 9 30 . 1 . 1 4 4 DC H42 H 1 6.959 0.01 . 1 . . . . . 4 DC H42 . 52355 9 31 . 1 . 1 5 5 DG H1 H 1 12.923 0.01 . 1 . . . . . 5 DG H1 . 52355 9 32 . 1 . 1 5 5 DG H1' H 1 5.961 0.01 . 1 . . . . . 5 DG H1' . 52355 9 33 . 1 . 1 5 5 DG H2' H 1 2.210 0.01 . 1 . . . . . 5 DG H2' . 52355 9 34 . 1 . 1 5 5 DG H2'' H 1 2.437 0.01 . 1 . . . . . 5 DG H2'' . 52355 9 35 . 1 . 1 5 5 DG H3' H 1 4.977 0.01 . 1 . . . . . 5 DG H3' . 52355 9 36 . 1 . 1 6 6 DG H1' H 1 5.775 0.01 . 1 . . . . . 6 DG H1' . 52355 9 37 . 1 . 1 6 6 DG H2' H 1 3.118 0.01 . 2 . . . . . 6 DG H2' . 52355 9 38 . 1 . 1 6 6 DG H2'' H 1 3.164 0.01 . 2 . . . . . 6 DG H2'' . 52355 9 39 . 1 . 1 6 6 DG H3' H 1 5.268 0.01 . 1 . . . . . 6 DG H3' . 52355 9 40 . 1 . 1 6 6 DG H8 H 1 8.343 0.01 . 1 . . . . . 6 DG H8 . 52355 9 41 . 1 . 1 7 7 DG H1 H 1 11.687 0.01 . 1 . . . . . 7 DG H1 . 52355 9 42 . 1 . 1 7 7 DG H1' H 1 6.385 0.01 . 1 . . . . . 7 DG H1' . 52355 9 43 . 1 . 1 7 7 DG H2' H 1 3.228 0.01 . 2 . . . . . 7 DG H2' . 52355 9 44 . 1 . 1 7 7 DG H2'' H 1 3.026 0.01 . 2 . . . . . 7 DG H2'' . 52355 9 45 . 1 . 1 7 7 DG H3' H 1 4.904 0.01 . 1 . . . . . 7 DG H3' . 52355 9 46 . 1 . 1 7 7 DG H8 H 1 8.474 0.01 . 1 . . . . . 7 DG H8 . 52355 9 47 . 1 . 1 7 7 DG P P 31 -3.846 0.05 . 1 . . . . . 7 DG P . 52355 9 48 . 1 . 1 8 8 DG H1 H 1 12.808 0.01 . 1 . . . . . 8 DG H1 . 52355 9 49 . 1 . 1 8 8 DG H1' H 1 6.010 0.01 . 1 . . . . . 8 DG H1' . 52355 9 50 . 1 . 1 8 8 DG H2' H 1 2.574 0.01 . 2 . . . . . 8 DG H2' . 52355 9 51 . 1 . 1 8 8 DG H2'' H 1 2.841 0.01 . 2 . . . . . 8 DG H2'' . 52355 9 52 . 1 . 1 8 8 DG H3' H 1 4.900 0.01 . 1 . . . . . 8 DG H3' . 52355 9 53 . 1 . 1 8 8 DG H8 H 1 7.785 0.01 . 1 . . . . . 8 DG H8 . 52355 9 54 . 1 . 1 9 9 DT H1' H 1 6.064 0.01 . 1 . . . . . 9 DT H1' . 52355 9 55 . 1 . 1 9 9 DT H2' H 1 1.861 0.01 . 2 . . . . . 9 DT H2' . 52355 9 56 . 1 . 1 9 9 DT H2'' H 1 2.422 0.01 . 2 . . . . . 9 DT H2'' . 52355 9 57 . 1 . 1 9 9 DT H3 H 1 13.921 0.01 . 1 . . . . . 9 DT H3 . 52355 9 58 . 1 . 1 9 9 DT H3' H 1 4.780 0.01 . 1 . . . . . 9 DT H3' . 52355 9 59 . 1 . 1 9 9 DT H6 H 1 7.442 0.01 . 1 . . . . . 9 DT H6 . 52355 9 60 . 1 . 1 9 9 DT H71 H 1 1.386 0.01 . 3 . . . . . 9 DT H71 . 52355 9 61 . 1 . 1 9 9 DT H72 H 1 1.386 0.01 . 3 . . . . . 9 DT H72 . 52355 9 62 . 1 . 1 9 9 DT H73 H 1 1.386 0.01 . 3 . . . . . 9 DT H73 . 52355 9 63 . 1 . 1 10 10 DC H1' H 1 6.018 0.01 . 1 . . . . . 10 DC H1' . 52355 9 64 . 1 . 1 10 10 DC H2' H 1 1.772 0.01 . 1 . . . . . 10 DC H2' . 52355 9 65 . 1 . 1 10 10 DC H2'' H 1 2.280 0.01 . 1 . . . . . 10 DC H2'' . 52355 9 66 . 1 . 1 10 10 DC H3' H 1 4.836 0.01 . 1 . . . . . 10 DC H3' . 52355 9 67 . 1 . 1 10 10 DC H5 H 1 5.442 0.01 . 1 . . . . . 10 DC H5 . 52355 9 68 . 1 . 1 10 10 DC H6 H 1 7.233 0.01 . 1 . . . . . 10 DC H6 . 52355 9 69 . 1 . 1 10 10 DC H41 H 1 8.499 0.01 . 1 . . . . . 10 DC H41 . 52355 9 70 . 1 . 1 10 10 DC H42 H 1 7.163 0.01 . 1 . . . . . 10 DC H42 . 52355 9 71 . 1 . 1 11 11 DG H1' H 1 5.344 0.01 . 1 . . . . . 11 DG H1' . 52355 9 72 . 1 . 1 11 11 DG H2' H 1 2.704 0.01 . 1 . . . . . 11 DG H2' . 52355 9 73 . 1 . 1 11 11 DG H2'' H 1 2.574 0.01 . 1 . . . . . 11 DG H2'' . 52355 9 74 . 1 . 1 11 11 DG H3' H 1 4.926 0.01 . 1 . . . . . 11 DG H3' . 52355 9 75 . 1 . 1 11 11 DG H8 H 1 8.148 0.01 . 1 . . . . . 11 DG H8 . 52355 9 76 . 1 . 1 12 12 DA H1' H 1 5.973 0.01 . 1 . . . . . 12 DA H1' . 52355 9 77 . 1 . 1 12 12 DA H2' H 1 2.254 0.01 . 1 . . . . . 12 DA H2' . 52355 9 78 . 1 . 1 12 12 DA H2'' H 1 2.321 0.01 . 1 . . . . . 12 DA H2'' . 52355 9 79 . 1 . 1 12 12 DA H3' H 1 4.578 0.01 . 1 . . . . . 12 DA H3' . 52355 9 80 . 1 . 1 12 12 DA H5' H 1 3.402 0.01 . 2 . . . . . 12 DA H5' . 52355 9 81 . 1 . 1 12 12 DA H5'' H 1 3.084 0.01 . 2 . . . . . 12 DA H5'' . 52355 9 82 . 1 . 1 12 12 DA H8 H 1 8.133 0.01 . 1 . . . . . 12 DA H8 . 52355 9 83 . 1 . 1 13 13 DA H1' H 1 6.271 0.01 . 1 . . . . . 13 DA H1' . 52355 9 84 . 1 . 1 13 13 DA H2' H 1 2.730 0.01 . 2 . . . . . 13 DA H2' . 52355 9 85 . 1 . 1 13 13 DA H2'' H 1 2.852 0.01 . 2 . . . . . 13 DA H2'' . 52355 9 86 . 1 . 1 14 14 DG H1 H 1 12.987 0.01 . 1 . . . . . 14 DG H1 . 52355 9 87 . 1 . 1 14 14 DG H1' H 1 5.025 0.01 . 1 . . . . . 14 DG H1' . 52355 9 88 . 1 . 1 14 14 DG H2' H 1 2.659 0.01 . 1 . . . . . 14 DG H2' . 52355 9 89 . 1 . 1 14 14 DG H2'' H 1 2.549 0.01 . 1 . . . . . 14 DG H2'' . 52355 9 90 . 1 . 1 14 14 DG H3' H 1 4.908 0.01 . 1 . . . . . 14 DG H3' . 52355 9 91 . 1 . 1 14 14 DG H8 H 1 8.096 0.01 . 1 . . . . . 14 DG H8 . 52355 9 92 . 1 . 1 15 15 DA H1' H 1 6.250 0.01 . 1 . . . . . 15 DA H1' . 52355 9 93 . 1 . 1 15 15 DA H2 H 1 8.054 0.01 . 1 . . . . . 15 DA H2 . 52355 9 94 . 1 . 1 15 15 DA H2' H 1 2.581 0.01 . 1 . . . . . 15 DA H2' . 52355 9 95 . 1 . 1 15 15 DA H2'' H 1 2.773 0.01 . 1 . . . . . 15 DA H2'' . 52355 9 96 . 1 . 1 15 15 DA H3' H 1 5.039 0.01 . 1 . . . . . 15 DA H3' . 52355 9 97 . 1 . 1 15 15 DA P P 31 -3.455 0.05 . 1 . . . . . 15 DA P . 52355 9 98 . 1 . 1 16 16 DC H1' H 1 5.933 0.01 . 1 . . . . . 16 DC H1' . 52355 9 99 . 1 . 1 16 16 DC H2' H 1 1.976 0.01 . 1 . . . . . 16 DC H2' . 52355 9 100 . 1 . 1 16 16 DC H2'' H 1 2.315 0.01 . 1 . . . . . 16 DC H2'' . 52355 9 101 . 1 . 1 16 16 DC H3' H 1 4.814 0.01 . 1 . . . . . 16 DC H3' . 52355 9 102 . 1 . 1 16 16 DC H5 H 1 4.995 0.01 . 1 . . . . . 16 DC H5 . 52355 9 103 . 1 . 1 16 16 DC H6 H 1 7.248 0.01 . 1 . . . . . 16 DC H6 . 52355 9 104 . 1 . 1 16 16 DC H41 H 1 8.107 0.01 . 1 . . . . . 16 DC H41 . 52355 9 105 . 1 . 1 16 16 DC H42 H 1 6.578 0.01 . 1 . . . . . 16 DC H42 . 52355 9 106 . 1 . 1 17 17 DT H1' H 1 5.425 0.01 . 1 . . . . . 17 DT H1' . 52355 9 107 . 1 . 1 17 17 DT H2' H 1 0.632 0.01 . 1 . . . . . 17 DT H2' . 52355 9 108 . 1 . 1 17 17 DT H2'' H 1 1.550 0.01 . 1 . . . . . 17 DT H2'' . 52355 9 109 . 1 . 1 17 17 DT H3 H 1 10.752 0.01 . 1 . . . . . 17 DT H3 . 52355 9 110 . 1 . 1 17 17 DT H3' H 1 4.397 0.01 . 1 . . . . . 17 DT H3' . 52355 9 111 . 1 . 1 17 17 DT H5'' H 1 3.710 0.01 . 2 . . . . . 17 DT H5'' . 52355 9 112 . 1 . 1 17 17 DT H6 H 1 6.976 0.01 . 1 . . . . . 17 DT H6 . 52355 9 113 . 1 . 1 17 17 DT H71 H 1 1.333 0.01 . 3 . . . . . 17 DT H71 . 52355 9 114 . 1 . 1 17 17 DT H72 H 1 1.333 0.01 . 3 . . . . . 17 DT H72 . 52355 9 115 . 1 . 1 17 17 DT H73 H 1 1.333 0.01 . 3 . . . . . 17 DT H73 . 52355 9 116 . 1 . 1 17 17 DT P P 31 -4.955 0.05 . 1 . . . . . 17 DT P . 52355 9 117 . 1 . 1 18 18 DG H1 H 1 12.923 0.01 . 1 . . . . . 18 DG H1 . 52355 9 118 . 1 . 1 18 18 DG H1' H 1 5.375 0.01 . 1 . . . . . 18 DG H1' . 52355 9 119 . 1 . 1 18 18 DG H2' H 1 2.849 0.01 . 1 . . . . . 18 DG H2' . 52355 9 120 . 1 . 1 18 18 DG H2'' H 1 2.492 0.01 . 1 . . . . . 18 DG H2'' . 52355 9 121 . 1 . 1 18 18 DG H3' H 1 4.973 0.01 . 1 . . . . . 18 DG H3' . 52355 9 122 . 1 . 1 18 18 DG H8 H 1 7.984 0.01 . 1 . . . . . 18 DG H8 . 52355 9 123 . 1 . 1 19 19 DC H1' H 1 6.216 0.01 . 1 . . . . . 19 DC H1' . 52355 9 124 . 1 . 1 19 19 DC H2' H 1 2.031 0.01 . 1 . . . . . 19 DC H2' . 52355 9 125 . 1 . 1 19 19 DC H2'' H 1 2.383 0.01 . 1 . . . . . 19 DC H2'' . 52355 9 126 . 1 . 1 19 19 DC H3' H 1 4.954 0.01 . 1 . . . . . 19 DC H3' . 52355 9 127 . 1 . 1 19 19 DC H5 H 1 5.857 0.01 . 1 . . . . . 19 DC H5 . 52355 9 128 . 1 . 1 19 19 DC H6 H 1 7.584 0.01 . 1 . . . . . 19 DC H6 . 52355 9 129 . 1 . 1 19 19 DC H41 H 1 7.755 0.01 . 1 . . . . . 19 DC H41 . 52355 9 130 . 1 . 1 19 19 DC H42 H 1 6.718 0.01 . 1 . . . . . 19 DC H42 . 52355 9 131 . 1 . 1 19 19 DC P P 31 -2.871 0.05 . 1 . . . . . 19 DC P . 52355 9 132 . 1 . 1 20 20 DC H1' H 1 6.444 0.01 . 1 . . . . . 20 DC H1' . 52355 9 133 . 1 . 1 20 20 DC H2' H 1 2.772 0.01 . 2 . . . . . 20 DC H2' . 52355 9 134 . 1 . 1 20 20 DC H2'' H 1 2.772 0.01 . 2 . . . . . 20 DC H2'' . 52355 9 135 . 1 . 1 20 20 DC H3' H 1 5.155 0.01 . 1 . . . . . 20 DC H3' . 52355 9 136 . 1 . 1 20 20 DC H5 H 1 5.855 0.01 . 1 . . . . . 20 DC H5 . 52355 9 137 . 1 . 1 20 20 DC H6 H 1 7.849 0.01 . 1 . . . . . 20 DC H6 . 52355 9 138 . 1 . 1 20 20 DC H41 H 1 8.867 0.01 . 1 . . . . . 20 DC H41 . 52355 9 139 . 1 . 1 20 20 DC H42 H 1 7.017 0.01 . 1 . . . . . 20 DC H42 . 52355 9 140 . 1 . 1 20 20 DC P P 31 -4.832 0.05 . 1 . . . . . 20 DC P . 52355 9 141 . 1 . 1 21 21 DA H1' H 1 6.315 0.01 . 1 . . . . . 21 DA H1' . 52355 9 142 . 1 . 1 21 21 DA H2' H 1 2.127 0.01 . 1 . . . . . 21 DA H2' . 52355 9 143 . 1 . 1 21 21 DA H2'' H 1 2.800 0.01 . 1 . . . . . 21 DA H2'' . 52355 9 144 . 1 . 1 21 21 DA H3' H 1 5.198 0.01 . 1 . . . . . 21 DA H3' . 52355 9 145 . 1 . 1 21 21 DA H8 H 1 7.867 0.01 . 1 . . . . . 21 DA H8 . 52355 9 146 . 1 . 1 21 21 DA P P 31 -3.084 0.05 . 1 . . . . . 21 DA P . 52355 9 147 . 1 . 1 22 22 DG H1 H 1 13.152 0.01 . 1 . . . . . 22 DG H1 . 52355 9 148 . 1 . 1 22 22 DG H1' H 1 5.960 0.01 . 1 . . . . . 22 DG H1' . 52355 9 149 . 1 . 1 22 22 DG H2' H 1 2.489 0.01 . 2 . . . . . 22 DG H2' . 52355 9 150 . 1 . 1 22 22 DG H2'' H 1 2.538 0.01 . 2 . . . . . 22 DG H2'' . 52355 9 151 . 1 . 1 22 22 DG H3' H 1 4.700 0.01 . 1 . . . . . 22 DG H3' . 52355 9 152 . 1 . 1 22 22 DG H8 H 1 7.987 0.01 . 1 . . . . . 22 DG H8 . 52355 9 153 . 1 . 1 22 22 DG P P 31 -3.869 0.05 . 1 . . . . . 22 DG P . 52355 9 154 . 1 . 1 23 23 DC H1' H 1 5.478 0.01 . 1 . . . . . 23 DC H1' . 52355 9 155 . 1 . 1 23 23 DC H2' H 1 1.801 0.01 . 1 . . . . . 23 DC H2' . 52355 9 156 . 1 . 1 23 23 DC H2'' H 1 2.319 0.01 . 1 . . . . . 23 DC H2'' . 52355 9 157 . 1 . 1 23 23 DC H3' H 1 4.462 0.01 . 1 . . . . . 23 DC H3' . 52355 9 158 . 1 . 1 23 23 DC H5 H 1 6.187 0.01 . 1 . . . . . 23 DC H5 . 52355 9 159 . 1 . 1 23 23 DC H6 H 1 7.620 0.01 . 1 . . . . . 23 DC H6 . 52355 9 160 . 1 . 1 23 23 DC H41 H 1 8.462 0.01 . 1 . . . . . 23 DC H41 . 52355 9 161 . 1 . 1 23 23 DC P P 31 -3.514 0.05 . 1 . . . . . 23 DC P . 52355 9 162 . 1 . 1 24 24 DG H1 H 1 13.278 0.01 . 1 . . . . . 24 DG H1 . 52355 9 163 . 1 . 1 24 24 DG H1' H 1 5.749 0.01 . 1 . . . . . 24 DG H1' . 52355 9 164 . 1 . 1 24 24 DG H2' H 1 2.591 0.01 . 1 . . . . . 24 DG H2' . 52355 9 165 . 1 . 1 24 24 DG H2'' H 1 2.834 0.01 . 1 . . . . . 24 DG H2'' . 52355 9 166 . 1 . 1 24 24 DG H3' H 1 4.748 0.01 . 1 . . . . . 24 DG H3' . 52355 9 167 . 1 . 1 24 24 DG H8 H 1 7.731 0.01 . 1 . . . . . 24 DG H8 . 52355 9 168 . 1 . 1 24 24 DG P P 31 -3.911 0.05 . 1 . . . . . 24 DG P . 52355 9 169 . 1 . 1 25 25 DG H1 H 1 12.567 0.01 . 1 . . . . . 25 DG H1 . 52355 9 170 . 1 . 1 25 25 DG H1' H 1 5.185 0.01 . 1 . . . . . 25 DG H1' . 52355 9 171 . 1 . 1 25 25 DG H2' H 1 2.462 0.01 . 1 . . . . . 25 DG H2' . 52355 9 172 . 1 . 1 25 25 DG H2'' H 1 2.318 0.01 . 1 . . . . . 25 DG H2'' . 52355 9 173 . 1 . 1 25 25 DG H3' H 1 4.784 0.01 . 1 . . . . . 25 DG H3' . 52355 9 174 . 1 . 1 25 25 DG H8 H 1 7.759 0.01 . 1 . . . . . 25 DG H8 . 52355 9 175 . 1 . 1 26 26 DC H1' H 1 6.069 0.01 . 1 . . . . . 26 DC H1' . 52355 9 176 . 1 . 1 26 26 DC H2' H 1 2.209 0.01 . 2 . . . . . 26 DC H2' . 52355 9 177 . 1 . 1 26 26 DC H2'' H 1 2.451 0.01 . 2 . . . . . 26 DC H2'' . 52355 9 178 . 1 . 1 26 26 DC H3' H 1 4.722 0.01 . 1 . . . . . 26 DC H3' . 52355 9 179 . 1 . 1 26 26 DC H5 H 1 5.641 0.01 . 1 . . . . . 26 DC H5 . 52355 9 180 . 1 . 1 26 26 DC H6 H 1 7.449 0.01 . 1 . . . . . 26 DC H6 . 52355 9 181 . 1 . 1 26 26 DC H41 H 1 8.078 0.01 . 1 . . . . . 26 DC H41 . 52355 9 182 . 1 . 1 26 26 DC H42 H 1 6.804 0.01 . 1 . . . . . 26 DC H42 . 52355 9 183 . 1 . 1 26 26 DC P P 31 -3.283 0.05 . 1 . . . . . 26 DC P . 52355 9 184 . 1 . 1 27 27 DT H1' H 1 6.126 0.01 . 1 . . . . . 27 DT H1' . 52355 9 185 . 1 . 1 27 27 DT H3' H 1 4.654 0.01 . 1 . . . . . 27 DT H3' . 52355 9 186 . 1 . 1 27 27 DT H6 H 1 7.239 0.01 . 1 . . . . . 27 DT H6 . 52355 9 187 . 1 . 1 28 28 DC H1' H 1 5.984 0.01 . 1 . . . . . 28 DC H1' . 52355 9 188 . 1 . 1 28 28 DC H2' H 1 2.163 0.01 . 2 . . . . . 28 DC H2' . 52355 9 189 . 1 . 1 28 28 DC H3' H 1 4.884 0.01 . 1 . . . . . 28 DC H3' . 52355 9 190 . 1 . 1 28 28 DC H5 H 1 5.567 0.01 . 1 . . . . . 28 DC H5 . 52355 9 191 . 1 . 1 28 28 DC H6 H 1 7.300 0.01 . 1 . . . . . 28 DC H6 . 52355 9 192 . 1 . 1 28 28 DC H41 H 1 8.707 0.01 . 1 . . . . . 28 DC H41 . 52355 9 193 . 1 . 1 28 28 DC H42 H 1 7.258 0.01 . 1 . . . . . 28 DC H42 . 52355 9 194 . 1 . 1 29 29 DG H3' H 1 4.998 0.01 . 1 . . . . . 29 DG H3' . 52355 9 195 . 1 . 1 29 29 DG H8 H 1 8.150 0.01 . 1 . . . . . 29 DG H8 . 52355 9 196 . 1 . 1 30 30 DA H1' H 1 5.147 0.01 . 1 . . . . . 30 DA H1' . 52355 9 197 . 1 . 1 30 30 DA H2' H 1 1.416 0.01 . 2 . . . . . 30 DA H2' . 52355 9 198 . 1 . 1 30 30 DA H3' H 1 4.662 0.01 . 1 . . . . . 30 DA H3' . 52355 9 199 . 1 . 1 30 30 DA H8 H 1 8.065 0.01 . 1 . . . . . 30 DA H8 . 52355 9 200 . 1 . 1 30 30 DA P P 31 -2.638 0.05 . 1 . . . . . 30 DA P . 52355 9 201 . 1 . 1 31 31 DC H1' H 1 4.976 0.01 . 1 . . . . . 31 DC H1' . 52355 9 202 . 1 . 1 31 31 DC H2' H 1 2.119 0.01 . 1 . . . . . 31 DC H2' . 52355 9 203 . 1 . 1 31 31 DC H2'' H 1 2.298 0.01 . 1 . . . . . 31 DC H2'' . 52355 9 204 . 1 . 1 31 31 DC H3' H 1 4.791 0.01 . 1 . . . . . 31 DC H3' . 52355 9 205 . 1 . 1 31 31 DC H5 H 1 5.726 0.01 . 1 . . . . . 31 DC H5 . 52355 9 206 . 1 . 1 31 31 DC H6 H 1 7.403 0.01 . 1 . . . . . 31 DC H6 . 52355 9 207 . 1 . 1 31 31 DC H41 H 1 8.505 0.01 . 1 . . . . . 31 DC H41 . 52355 9 208 . 1 . 1 31 31 DC H42 H 1 7.070 0.01 . 1 . . . . . 31 DC H42 . 52355 9 209 . 1 . 1 32 32 DG H1 H 1 13.240 0.01 . 1 . . . . . 32 DG H1 . 52355 9 210 . 1 . 1 32 32 DG H1' H 1 5.701 0.01 . 1 . . . . . 32 DG H1' . 52355 9 211 . 1 . 1 32 32 DG H2' H 1 2.742 0.01 . 1 . . . . . 32 DG H2' . 52355 9 212 . 1 . 1 32 32 DG H2'' H 1 2.836 0.01 . 1 . . . . . 32 DG H2'' . 52355 9 213 . 1 . 1 32 32 DG H3' H 1 5.045 0.01 . 1 . . . . . 32 DG H3' . 52355 9 214 . 1 . 1 32 32 DG H8 H 1 7.906 0.01 . 1 . . . . . 32 DG H8 . 52355 9 215 . 1 . 1 32 32 DG P P 31 -3.552 0.05 . 1 . . . . . 32 DG P . 52355 9 216 . 1 . 1 33 33 DG H1 H 1 13.069 0.01 . 1 . . . . . 33 DG H1 . 52355 9 217 . 1 . 1 33 33 DG H1' H 1 5.914 0.01 . 1 . . . . . 33 DG H1' . 52355 9 218 . 1 . 1 33 33 DG H2' H 1 2.595 0.01 . 1 . . . . . 33 DG H2' . 52355 9 219 . 1 . 1 33 33 DG H2'' H 1 2.746 0.01 . 1 . . . . . 33 DG H2'' . 52355 9 220 . 1 . 1 33 33 DG H3' H 1 5.021 0.01 . 1 . . . . . 33 DG H3' . 52355 9 221 . 1 . 1 33 33 DG H8 H 1 7.817 0.01 . 1 . . . . . 33 DG H8 . 52355 9 222 . 1 . 1 33 33 DG P P 31 -4.246 0.05 . 1 . . . . . 33 DG P . 52355 9 223 . 1 . 1 34 34 DC H1' H 1 5.734 0.01 . 1 . . . . . 34 DC H1' . 52355 9 224 . 1 . 1 34 34 DC H2' H 1 1.932 0.01 . 1 . . . . . 34 DC H2' . 52355 9 225 . 1 . 1 34 34 DC H2'' H 1 2.361 0.01 . 1 . . . . . 34 DC H2'' . 52355 9 226 . 1 . 1 34 34 DC H3' H 1 4.845 0.01 . 1 . . . . . 34 DC H3' . 52355 9 227 . 1 . 1 34 34 DC H5 H 1 5.447 0.01 . 1 . . . . . 34 DC H5 . 52355 9 228 . 1 . 1 34 34 DC H6 H 1 7.335 0.01 . 1 . . . . . 34 DC H6 . 52355 9 229 . 1 . 1 34 34 DC H41 H 1 8.494 0.01 . 1 . . . . . 34 DC H41 . 52355 9 230 . 1 . 1 34 34 DC H42 H 1 6.669 0.01 . 1 . . . . . 34 DC H42 . 52355 9 231 . 1 . 1 34 34 DC P P 31 -4.080 0.05 . 1 . . . . . 34 DC P . 52355 9 232 . 1 . 1 35 35 DG H1' H 1 6.194 0.01 . 1 . . . . . 35 DG H1' . 52355 9 233 . 1 . 1 35 35 DG H2' H 1 2.640 0.01 . 1 . . . . . 35 DG H2' . 52355 9 234 . 1 . 1 35 35 DG H2'' H 1 2.385 0.01 . 1 . . . . . 35 DG H2'' . 52355 9 235 . 1 . 1 35 35 DG H3' H 1 4.705 0.01 . 1 . . . . . 35 DG H3' . 52355 9 236 . 1 . 1 35 35 DG H8 H 1 7.974 0.01 . 1 . . . . . 35 DG H8 . 52355 9 237 . 1 . 1 35 35 DG P P 31 -3.887 0.05 . 1 . . . . . 35 DG P . 52355 9 stop_ save_