data_34431 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34431 _Entry.Title ; NMR structure of KRAS32R G9T conformer G-quadruplex within KRAS promoter region ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-09-16 _Entry.Accession_date 2019-09-16 _Entry.Last_release_date 2019-10-25 _Entry.Original_release_date 2019-10-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34431 stop_ 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 J. Marquevielle J. . . . 34431 2 G. Salgado G. . . . 34431 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DNA . 34431 'KRAS G-quadruplex' . 34431 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34431 spectral_peak_list 1 34431 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 167 34431 '15N chemical shifts' 13 34431 '1H chemical shifts' 289 34431 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 . . 2020-01-31 . original BMRB . 34431 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 34441 'KRAS32R G25T conformer G-quadruplex within KRAS promoter region' 34431 PDB 6SUU . 34431 PDB 6T2G 'KRAS32R G25T conformer G-quadruplex within KRAS promoter region' 34431 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34431 _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 ; Structure of Multiple G-quadruplexes in equilibrium in KRAS promoter region ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 J. Marquevielle J. . . . 34431 1 2 C. Robert C. . . . 34431 1 3 O. Lagrabette O. . . . 34431 1 4 M. Wahid M. . . . 34431 1 5 A. Bourdoncle A. . . . 34431 1 6 L. Xodo L. . . . 34431 1 7 J. Mergny J. L. . . 34431 1 8 G. Salgado G. . . . 34431 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34431 _Assembly.ID 1 _Assembly.Name 'KRAS32R G9T' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _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 entity_1 1 $entity_1 A A yes . . . . . . 34431 1 2 'entity_2, 1' 2 $entity_K B A no . . . . . . 34431 1 3 'entity_2, 2' 2 $entity_K C A no . . . . . . 34431 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34431 _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 A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AGGGCGGTTTGGGAAGAGGG AAGAGGGGGAGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 32 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10246.573 _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 . DA . 34431 1 2 . DG . 34431 1 3 . DG . 34431 1 4 . DG . 34431 1 5 . DC . 34431 1 6 . DG . 34431 1 7 . DG . 34431 1 8 . DT . 34431 1 9 . DT . 34431 1 10 . DT . 34431 1 11 . DG . 34431 1 12 . DG . 34431 1 13 . DG . 34431 1 14 . DA . 34431 1 15 . DA . 34431 1 16 . DG . 34431 1 17 . DA . 34431 1 18 . DG . 34431 1 19 . DG . 34431 1 20 . DG . 34431 1 21 . DA . 34431 1 22 . DA . 34431 1 23 . DG . 34431 1 24 . DA . 34431 1 25 . DG . 34431 1 26 . DG . 34431 1 27 . DG . 34431 1 28 . DG . 34431 1 29 . DG . 34431 1 30 . DA . 34431 1 31 . DG . 34431 1 32 . DG . 34431 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 . DA 1 1 34431 1 . DG 2 2 34431 1 . DG 3 3 34431 1 . DG 4 4 34431 1 . DC 5 5 34431 1 . DG 6 6 34431 1 . DG 7 7 34431 1 . DT 8 8 34431 1 . DT 9 9 34431 1 . DT 10 10 34431 1 . DG 11 11 34431 1 . DG 12 12 34431 1 . DG 13 13 34431 1 . DA 14 14 34431 1 . DA 15 15 34431 1 . DG 16 16 34431 1 . DA 17 17 34431 1 . DG 18 18 34431 1 . DG 19 19 34431 1 . DG 20 20 34431 1 . DA 21 21 34431 1 . DA 22 22 34431 1 . DG 23 23 34431 1 . DA 24 24 34431 1 . DG 25 25 34431 1 . DG 26 26 34431 1 . DG 27 27 34431 1 . DG 28 28 34431 1 . DG 29 29 34431 1 . DA 30 30 34431 1 . DG 31 31 34431 1 . DG 32 32 34431 1 stop_ save_ save_entity_K _Entity.Sf_category entity _Entity.Sf_framecode entity_K _Entity.Entry_ID 34431 _Entity.ID 2 _Entity.BMRB_code K _Entity.Name entity_K _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID K _Entity.Nonpolymer_comp_label $chem_comp_K _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 39.098 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'POTASSIUM ION' BMRB 34431 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'POTASSIUM ION' BMRB 34431 2 K 'Three letter code' 34431 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 K $chem_comp_K 34431 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34431 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 34431 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 34431 _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' . . . . . . . . . . . . . . . . 34431 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_K _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_K _Chem_comp.Entry_ID 34431 _Chem_comp.ID K _Chem_comp.Provenance PDB _Chem_comp.Name 'POTASSIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code K _Chem_comp.PDB_code K _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code K _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/K/q+1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula K _Chem_comp.Formula_weight 39.098 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/K/q+1 InChI InChI 1.03 34431 K NPYPAHLBTDXSSS-UHFFFAOYSA-N InChIKey InChI 1.03 34431 K [K+] SMILES ACDLabs 10.04 34431 K [K+] SMILES CACTVS 3.341 34431 K [K+] SMILES 'OpenEye OEToolkits' 1.5.0 34431 K [K+] SMILES_CANONICAL CACTVS 3.341 34431 K [K+] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34431 K stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID potassium 'SYSTEMATIC NAME' ACDLabs 10.04 34431 K 'potassium(+1) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34431 K stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID K K K K . K . . N 1 . . . 1 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 34431 K stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34431 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '2 mM KRAS32R G9T, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _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 'KRAS32R G9T' 'natural abundance' . . 1 $entity_1 . . 2 . . mM . . . . 34431 1 2 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 34431 1 3 KPi 'natural abundance' . . . . . . 10 . . mM . . . . 34431 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34431 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-99% 13C; U-99% 15N] KRAS32R G9T, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _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 'KRAS32R G9T' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 34431 2 2 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 34431 2 3 KPi 'natural abundance' . . . . . . 10 . . mM . . . . 34431 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34431 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 60 . mM 34431 1 pH 6.66 . pH 34431 1 pressure 1 . atm 34431 1 temperature 310 . K 34431 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34431 _Software.ID 1 _Software.Type . _Software.Name Amber _Software.Version 12 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 34431 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34431 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34431 _Software.ID 2 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34431 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34431 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34431 _Software.ID 3 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34431 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34431 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34431 _Software.ID 4 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34431 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 34431 4 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 34431 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34431 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34431 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 700 . . . 34431 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 850 . . . 34431 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34431 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34431 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34431 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34431 1 4 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34431 1 5 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34431 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 34431 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.701 na indirect . . . . . . 34431 1 H 1 water protons . . . . ppm 4.701 na direct 1.0 . . . . . 34431 1 N 15 water protons . . . . ppm 4.701 na indirect . . . . . . 34431 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 34431 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 34431 1 2 '2D 1H-15N HSQC' . . . 34431 1 3 '2D 1H-13C HSQC aromatic' . . . 34431 1 4 '2D 1H-13C HSQC aliphatic' . . . 34431 1 5 '2D 1H-1H TOCSY' . . . 34431 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 DA H1' H 1 5.868 0.001 . 1 . . . . A 1 DA H1' . 34431 1 2 . 1 . 1 1 1 DA H2 H 1 7.972 0.000 . 1 . . . . A 1 DA H2 . 34431 1 3 . 1 . 1 1 1 DA H2' H 1 2.472 0.003 . 2 . . . . A 1 DA H2' . 34431 1 4 . 1 . 1 1 1 DA H2'' H 1 2.671 0.001 . 2 . . . . A 1 DA H2'' . 34431 1 5 . 1 . 1 1 1 DA H3' H 1 4.843 0.003 . 1 . . . . A 1 DA H3' . 34431 1 6 . 1 . 1 1 1 DA H4' H 1 4.159 0.004 . 1 . . . . A 1 DA H4' . 34431 1 7 . 1 . 1 1 1 DA H5' H 1 3.669 0.001 . 1 . . . . A 1 DA H5' . 34431 1 8 . 1 . 1 1 1 DA H5'' H 1 3.669 0.001 . 1 . . . . A 1 DA H5'' . 34431 1 9 . 1 . 1 1 1 DA H8 H 1 7.941 0.003 . 1 . . . . A 1 DA H8 . 34431 1 10 . 1 . 1 1 1 DA C1' C 13 83.748 0.000 . 1 . . . . A 1 DA C1' . 34431 1 11 . 1 . 1 1 1 DA C2 C 13 152.021 0.000 . 1 . . . . A 1 DA C2 . 34431 1 12 . 1 . 1 1 1 DA C2' C 13 67.967 0.004 . 1 . . . . A 1 DA C2' . 34431 1 13 . 1 . 1 1 1 DA C4' C 13 86.498 0.000 . 1 . . . . A 1 DA C4' . 34431 1 14 . 1 . 1 1 1 DA C5' C 13 61.730 0.000 . 1 . . . . A 1 DA C5' . 34431 1 15 . 1 . 1 1 1 DA C8 C 13 138.954 0.000 . 1 . . . . A 1 DA C8 . 34431 1 16 . 1 . 1 2 2 DG H1 H 1 11.738 0.002 . 1 . . . . A 2 DG H1 . 34431 1 17 . 1 . 1 2 2 DG H1' H 1 6.224 0.004 . 1 . . . . A 2 DG H1' . 34431 1 18 . 1 . 1 2 2 DG H2' H 1 2.868 0.004 . 2 . . . . A 2 DG H2' . 34431 1 19 . 1 . 1 2 2 DG H2'' H 1 3.163 0.006 . 2 . . . . A 2 DG H2'' . 34431 1 20 . 1 . 1 2 2 DG H3' H 1 5.089 0.003 . 1 . . . . A 2 DG H3' . 34431 1 21 . 1 . 1 2 2 DG H4' H 1 4.530 0.005 . 1 . . . . A 2 DG H4' . 34431 1 22 . 1 . 1 2 2 DG H5' H 1 4.175 0.003 . 1 . . . . A 2 DG H5' . 34431 1 23 . 1 . 1 2 2 DG H5'' H 1 4.175 0.003 . 1 . . . . A 2 DG H5'' . 34431 1 24 . 1 . 1 2 2 DG H8 H 1 8.124 0.003 . 1 . . . . A 2 DG H8 . 34431 1 25 . 1 . 1 2 2 DG C1' C 13 82.059 0.000 . 1 . . . . A 2 DG C1' . 34431 1 26 . 1 . 1 2 2 DG C2' C 13 67.419 0.005 . 1 . . . . A 2 DG C2' . 34431 1 27 . 1 . 1 2 2 DG C3' C 13 75.530 0.000 . 1 . . . . A 2 DG C3' . 34431 1 28 . 1 . 1 2 2 DG C4' C 13 85.642 0.000 . 1 . . . . A 2 DG C4' . 34431 1 29 . 1 . 1 2 2 DG C5' C 13 66.092 0.000 . 1 . . . . A 2 DG C5' . 34431 1 30 . 1 . 1 2 2 DG C8 C 13 135.303 0.000 . 1 . . . . A 2 DG C8 . 34431 1 31 . 1 . 1 2 2 DG N1 N 15 143.228 0.000 . 1 . . . . A 2 DG N1 . 34431 1 32 . 1 . 1 3 3 DG H1 H 1 11.240 0.002 . 1 . . . . A 3 DG H1 . 34431 1 33 . 1 . 1 3 3 DG H1' H 1 6.179 0.003 . 1 . . . . A 3 DG H1' . 34431 1 34 . 1 . 1 3 3 DG H2' H 1 2.588 0.004 . 2 . . . . A 3 DG H2' . 34431 1 35 . 1 . 1 3 3 DG H2'' H 1 2.957 0.004 . 2 . . . . A 3 DG H2'' . 34431 1 36 . 1 . 1 3 3 DG H3' H 1 5.041 0.004 . 1 . . . . A 3 DG H3' . 34431 1 37 . 1 . 1 3 3 DG H4' H 1 4.542 0.004 . 1 . . . . A 3 DG H4' . 34431 1 38 . 1 . 1 3 3 DG H5' H 1 4.414 0.007 . 2 . . . . A 3 DG H5' . 34431 1 39 . 1 . 1 3 3 DG H5'' H 1 4.345 0.003 . 2 . . . . A 3 DG H5'' . 34431 1 40 . 1 . 1 3 3 DG H8 H 1 7.518 0.004 . 1 . . . . A 3 DG H8 . 34431 1 41 . 1 . 1 3 3 DG H21 H 1 8.739 0.000 . 1 . . . . A 3 DG H21 . 34431 1 42 . 1 . 1 3 3 DG H22 H 1 8.739 0.000 . 1 . . . . A 3 DG H22 . 34431 1 43 . 1 . 1 3 3 DG C1' C 13 84.669 0.000 . 1 . . . . A 3 DG C1' . 34431 1 44 . 1 . 1 3 3 DG C2' C 13 70.066 0.007 . 1 . . . . A 3 DG C2' . 34431 1 45 . 1 . 1 3 3 DG C3' C 13 75.600 0.000 . 1 . . . . A 3 DG C3' . 34431 1 46 . 1 . 1 3 3 DG C4' C 13 84.185 0.000 . 1 . . . . A 3 DG C4' . 34431 1 47 . 1 . 1 3 3 DG C8 C 13 134.157 0.000 . 1 . . . . A 3 DG C8 . 34431 1 48 . 1 . 1 3 3 DG N1 N 15 142.988 0.000 . 1 . . . . A 3 DG N1 . 34431 1 49 . 1 . 1 4 4 DG H1 H 1 10.889 0.001 . 1 . . . . A 4 DG H1 . 34431 1 50 . 1 . 1 4 4 DG H1' H 1 6.496 0.005 . 1 . . . . A 4 DG H1' . 34431 1 51 . 1 . 1 4 4 DG H2' H 1 2.822 0.002 . 2 . . . . A 4 DG H2' . 34431 1 52 . 1 . 1 4 4 DG H2'' H 1 2.898 0.003 . 2 . . . . A 4 DG H2'' . 34431 1 53 . 1 . 1 4 4 DG H3' H 1 5.226 0.001 . 1 . . . . A 4 DG H3' . 34431 1 54 . 1 . 1 4 4 DG H4' H 1 4.388 0.001 . 1 . . . . A 4 DG H4' . 34431 1 55 . 1 . 1 4 4 DG H8 H 1 7.644 0.001 . 1 . . . . A 4 DG H8 . 34431 1 56 . 1 . 1 4 4 DG H21 H 1 9.440 0.000 . 1 . . . . A 4 DG H21 . 34431 1 57 . 1 . 1 4 4 DG H22 H 1 9.440 0.000 . 1 . . . . A 4 DG H22 . 34431 1 58 . 1 . 1 4 4 DG C1' C 13 82.332 0.000 . 1 . . . . A 4 DG C1' . 34431 1 59 . 1 . 1 4 4 DG C2' C 13 68.889 0.009 . 1 . . . . A 4 DG C2' . 34431 1 60 . 1 . 1 4 4 DG C3' C 13 78.453 0.000 . 1 . . . . A 4 DG C3' . 34431 1 61 . 1 . 1 4 4 DG C8 C 13 134.432 0.000 . 1 . . . . A 4 DG C8 . 34431 1 62 . 1 . 1 4 4 DG N1 N 15 143.245 0.000 . 1 . . . . A 4 DG N1 . 34431 1 63 . 1 . 1 5 5 DC H1' H 1 6.533 0.001 . 1 . . . . A 5 DC H1' . 34431 1 64 . 1 . 1 5 5 DC H2' H 1 2.505 0.002 . 2 . . . . A 5 DC H2' . 34431 1 65 . 1 . 1 5 5 DC H2'' H 1 2.824 0.002 . 2 . . . . A 5 DC H2'' . 34431 1 66 . 1 . 1 5 5 DC H3' H 1 5.142 0.003 . 1 . . . . A 5 DC H3' . 34431 1 67 . 1 . 1 5 5 DC H4' H 1 4.392 0.003 . 1 . . . . A 5 DC H4' . 34431 1 68 . 1 . 1 5 5 DC H5 H 1 6.252 0.000 . 1 . . . . A 5 DC H5 . 34431 1 69 . 1 . 1 5 5 DC H6 H 1 8.089 0.001 . 1 . . . . A 5 DC H6 . 34431 1 70 . 1 . 1 5 5 DC C1' C 13 86.010 0.000 . 1 . . . . A 5 DC C1' . 34431 1 71 . 1 . 1 5 5 DC C2' C 13 69.672 0.008 . 1 . . . . A 5 DC C2' . 34431 1 72 . 1 . 1 5 5 DC C3' C 13 75.271 0.000 . 1 . . . . A 5 DC C3' . 34431 1 73 . 1 . 1 5 5 DC C4' C 13 84.954 0.000 . 1 . . . . A 5 DC C4' . 34431 1 74 . 1 . 1 5 5 DC C5 C 13 66.821 0.000 . 1 . . . . A 5 DC C5 . 34431 1 75 . 1 . 1 5 5 DC C6 C 13 141.491 0.000 . 1 . . . . A 5 DC C6 . 34431 1 76 . 1 . 1 6 6 DG H1 H 1 11.898 0.001 . 1 . . . . A 6 DG H1 . 34431 1 77 . 1 . 1 6 6 DG H1' H 1 6.210 0.006 . 1 . . . . A 6 DG H1' . 34431 1 78 . 1 . 1 6 6 DG H2' H 1 2.391 0.001 . 2 . . . . A 6 DG H2' . 34431 1 79 . 1 . 1 6 6 DG H2'' H 1 2.960 0.001 . 2 . . . . A 6 DG H2'' . 34431 1 80 . 1 . 1 6 6 DG H3' H 1 5.223 0.002 . 1 . . . . A 6 DG H3' . 34431 1 81 . 1 . 1 6 6 DG H4' H 1 4.459 0.007 . 1 . . . . A 6 DG H4' . 34431 1 82 . 1 . 1 6 6 DG H5' H 1 4.304 0.000 . 1 . . . . A 6 DG H5' . 34431 1 83 . 1 . 1 6 6 DG H5'' H 1 4.304 0.000 . 1 . . . . A 6 DG H5'' . 34431 1 84 . 1 . 1 6 6 DG H8 H 1 8.085 0.002 . 1 . . . . A 6 DG H8 . 34431 1 85 . 1 . 1 6 6 DG H21 H 1 9.361 0.000 . 1 . . . . A 6 DG H21 . 34431 1 86 . 1 . 1 6 6 DG H22 H 1 9.361 0.000 . 1 . . . . A 6 DG H22 . 34431 1 87 . 1 . 1 6 6 DG C1' C 13 84.385 0.000 . 1 . . . . A 6 DG C1' . 34431 1 88 . 1 . 1 6 6 DG C2' C 13 71.651 0.003 . 1 . . . . A 6 DG C2' . 34431 1 89 . 1 . 1 6 6 DG C3' C 13 77.842 0.000 . 1 . . . . A 6 DG C3' . 34431 1 90 . 1 . 1 6 6 DG C5' C 13 65.872 0.000 . 1 . . . . A 6 DG C5' . 34431 1 91 . 1 . 1 6 6 DG C8 C 13 135.430 0.000 . 1 . . . . A 6 DG C8 . 34431 1 92 . 1 . 1 6 6 DG N1 N 15 143.144 0.000 . 1 . . . . A 6 DG N1 . 34431 1 93 . 1 . 1 7 7 DG H1 H 1 11.560 0.003 . 1 . . . . A 7 DG H1 . 34431 1 94 . 1 . 1 7 7 DG H1' H 1 6.094 0.002 . 1 . . . . A 7 DG H1' . 34431 1 95 . 1 . 1 7 7 DG H2' H 1 2.642 0.001 . 2 . . . . A 7 DG H2' . 34431 1 96 . 1 . 1 7 7 DG H2'' H 1 2.923 0.002 . 2 . . . . A 7 DG H2'' . 34431 1 97 . 1 . 1 7 7 DG H3' H 1 5.267 0.001 . 1 . . . . A 7 DG H3' . 34431 1 98 . 1 . 1 7 7 DG H4' H 1 4.454 0.002 . 1 . . . . A 7 DG H4' . 34431 1 99 . 1 . 1 7 7 DG H5' H 1 4.312 0.001 . 1 . . . . A 7 DG H5' . 34431 1 100 . 1 . 1 7 7 DG H5'' H 1 4.312 0.001 . 1 . . . . A 7 DG H5'' . 34431 1 101 . 1 . 1 7 7 DG H8 H 1 7.989 0.002 . 1 . . . . A 7 DG H8 . 34431 1 102 . 1 . 1 7 7 DG C1' C 13 81.158 0.000 . 1 . . . . A 7 DG C1' . 34431 1 103 . 1 . 1 7 7 DG C2' C 13 69.373 0.007 . 1 . . . . A 7 DG C2' . 34431 1 104 . 1 . 1 7 7 DG C3' C 13 76.418 0.000 . 1 . . . . A 7 DG C3' . 34431 1 105 . 1 . 1 7 7 DG C4' C 13 84.373 0.000 . 1 . . . . A 7 DG C4' . 34431 1 106 . 1 . 1 7 7 DG C5' C 13 65.857 0.000 . 1 . . . . A 7 DG C5' . 34431 1 107 . 1 . 1 7 7 DG C8 C 13 135.578 0.000 . 1 . . . . A 7 DG C8 . 34431 1 108 . 1 . 1 7 7 DG N1 N 15 143.089 0.000 . 1 . . . . A 7 DG N1 . 34431 1 109 . 1 . 1 8 8 DT H1' H 1 6.461 0.001 . 1 . . . . A 8 DT H1' . 34431 1 110 . 1 . 1 8 8 DT H2' H 1 2.505 0.003 . 2 . . . . A 8 DT H2' . 34431 1 111 . 1 . 1 8 8 DT H2'' H 1 2.693 0.003 . 2 . . . . A 8 DT H2'' . 34431 1 112 . 1 . 1 8 8 DT H3' H 1 4.952 0.002 . 1 . . . . A 8 DT H3' . 34431 1 113 . 1 . 1 8 8 DT H4' H 1 4.522 0.000 . 1 . . . . A 8 DT H4' . 34431 1 114 . 1 . 1 8 8 DT H5' H 1 4.272 0.003 . 1 . . . . A 8 DT H5' . 34431 1 115 . 1 . 1 8 8 DT H5'' H 1 4.272 0.003 . 1 . . . . A 8 DT H5'' . 34431 1 116 . 1 . 1 8 8 DT H6 H 1 7.886 0.002 . 1 . . . . A 8 DT H6 . 34431 1 117 . 1 . 1 8 8 DT H71 H 1 2.058 0.002 . 1 . . . . A 8 DT H71 . 34431 1 118 . 1 . 1 8 8 DT H72 H 1 2.058 0.002 . 1 . . . . A 8 DT H72 . 34431 1 119 . 1 . 1 8 8 DT H73 H 1 2.058 0.002 . 1 . . . . A 8 DT H73 . 34431 1 120 . 1 . 1 8 8 DT C1' C 13 85.263 0.000 . 1 . . . . A 8 DT C1' . 34431 1 121 . 1 . 1 8 8 DT C3' C 13 75.802 0.000 . 1 . . . . A 8 DT C3' . 34431 1 122 . 1 . 1 8 8 DT C4' C 13 84.726 0.000 . 1 . . . . A 8 DT C4' . 34431 1 123 . 1 . 1 8 8 DT C5' C 13 65.843 0.000 . 1 . . . . A 8 DT C5' . 34431 1 124 . 1 . 1 8 8 DT C6 C 13 137.310 0.000 . 1 . . . . A 8 DT C6 . 34431 1 125 . 1 . 1 9 9 DT H1' H 1 6.521 0.002 . 1 . . . . A 9 DT H1' . 34431 1 126 . 1 . 1 9 9 DT H2' H 1 2.599 0.002 . 2 . . . . A 9 DT H2' . 34431 1 127 . 1 . 1 9 9 DT H2'' H 1 2.659 0.003 . 2 . . . . A 9 DT H2'' . 34431 1 128 . 1 . 1 9 9 DT H3' H 1 5.033 0.001 . 1 . . . . A 9 DT H3' . 34431 1 129 . 1 . 1 9 9 DT H4' H 1 4.458 0.003 . 1 . . . . A 9 DT H4' . 34431 1 130 . 1 . 1 9 9 DT H5' H 1 4.275 0.003 . 1 . . . . A 9 DT H5' . 34431 1 131 . 1 . 1 9 9 DT H5'' H 1 4.275 0.003 . 1 . . . . A 9 DT H5'' . 34431 1 132 . 1 . 1 9 9 DT H6 H 1 7.887 0.002 . 1 . . . . A 9 DT H6 . 34431 1 133 . 1 . 1 9 9 DT H71 H 1 2.096 0.004 . 1 . . . . A 9 DT H71 . 34431 1 134 . 1 . 1 9 9 DT H72 H 1 2.096 0.004 . 1 . . . . A 9 DT H72 . 34431 1 135 . 1 . 1 9 9 DT H73 H 1 2.096 0.004 . 1 . . . . A 9 DT H73 . 34431 1 136 . 1 . 1 9 9 DT C1' C 13 85.110 0.000 . 1 . . . . A 9 DT C1' . 34431 1 137 . 1 . 1 9 9 DT C2' C 13 67.586 0.000 . 1 . . . . A 9 DT C2' . 34431 1 138 . 1 . 1 9 9 DT C3' C 13 76.516 0.000 . 1 . . . . A 9 DT C3' . 34431 1 139 . 1 . 1 9 9 DT C4' C 13 84.914 0.000 . 1 . . . . A 9 DT C4' . 34431 1 140 . 1 . 1 9 9 DT C5' C 13 66.151 0.000 . 1 . . . . A 9 DT C5' . 34431 1 141 . 1 . 1 9 9 DT C6 C 13 137.755 0.000 . 1 . . . . A 9 DT C6 . 34431 1 142 . 1 . 1 10 10 DT H1' H 1 6.044 0.002 . 1 . . . . A 10 DT H1' . 34431 1 143 . 1 . 1 10 10 DT H2' H 1 2.455 0.001 . 2 . . . . A 10 DT H2' . 34431 1 144 . 1 . 1 10 10 DT H2'' H 1 2.602 0.003 . 2 . . . . A 10 DT H2'' . 34431 1 145 . 1 . 1 10 10 DT H3' H 1 4.980 0.006 . 1 . . . . A 10 DT H3' . 34431 1 146 . 1 . 1 10 10 DT H4' H 1 4.349 0.000 . 1 . . . . A 10 DT H4' . 34431 1 147 . 1 . 1 10 10 DT H5' H 1 4.151 0.002 . 2 . . . . A 10 DT H5' . 34431 1 148 . 1 . 1 10 10 DT H5'' H 1 4.029 0.002 . 2 . . . . A 10 DT H5'' . 34431 1 149 . 1 . 1 10 10 DT H6 H 1 7.520 0.001 . 1 . . . . A 10 DT H6 . 34431 1 150 . 1 . 1 10 10 DT H71 H 1 1.516 0.001 . 1 . . . . A 10 DT H71 . 34431 1 151 . 1 . 1 10 10 DT H72 H 1 1.516 0.001 . 1 . . . . A 10 DT H72 . 34431 1 152 . 1 . 1 10 10 DT H73 H 1 1.516 0.001 . 1 . . . . A 10 DT H73 . 34431 1 153 . 1 . 1 10 10 DT C1' C 13 84.424 0.000 . 1 . . . . A 10 DT C1' . 34431 1 154 . 1 . 1 10 10 DT C3' C 13 76.573 0.000 . 1 . . . . A 10 DT C3' . 34431 1 155 . 1 . 1 10 10 DT C4' C 13 85.153 0.000 . 1 . . . . A 10 DT C4' . 34431 1 156 . 1 . 1 10 10 DT C5' C 13 65.374 0.023 . 1 . . . . A 10 DT C5' . 34431 1 157 . 1 . 1 10 10 DT C6 C 13 136.465 0.000 . 1 . . . . A 10 DT C6 . 34431 1 158 . 1 . 1 11 11 DG H1 H 1 11.776 0.004 . 1 . . . . A 11 DG H1 . 34431 1 159 . 1 . 1 11 11 DG H1' H 1 6.255 0.002 . 1 . . . . A 11 DG H1' . 34431 1 160 . 1 . 1 11 11 DG H2' H 1 2.913 0.002 . 2 . . . . A 11 DG H2' . 34431 1 161 . 1 . 1 11 11 DG H2'' H 1 3.116 0.001 . 2 . . . . A 11 DG H2'' . 34431 1 162 . 1 . 1 11 11 DG H3' H 1 5.079 0.003 . 1 . . . . A 11 DG H3' . 34431 1 163 . 1 . 1 11 11 DG H4' H 1 4.528 0.004 . 1 . . . . A 11 DG H4' . 34431 1 164 . 1 . 1 11 11 DG H8 H 1 8.101 0.002 . 1 . . . . A 11 DG H8 . 34431 1 165 . 1 . 1 11 11 DG C1' C 13 82.526 0.000 . 1 . . . . A 11 DG C1' . 34431 1 166 . 1 . 1 11 11 DG C2' C 13 68.618 0.011 . 1 . . . . A 11 DG C2' . 34431 1 167 . 1 . 1 11 11 DG C3' C 13 76.779 0.000 . 1 . . . . A 11 DG C3' . 34431 1 168 . 1 . 1 11 11 DG C4' C 13 85.236 0.000 . 1 . . . . A 11 DG C4' . 34431 1 169 . 1 . 1 11 11 DG C8 C 13 139.167 0.000 . 1 . . . . A 11 DG C8 . 34431 1 170 . 1 . 1 11 11 DG N1 N 15 143.229 0.000 . 1 . . . . A 11 DG N1 . 34431 1 171 . 1 . 1 12 12 DG H1 H 1 11.396 0.003 . 1 . . . . A 12 DG H1 . 34431 1 172 . 1 . 1 12 12 DG H1' H 1 6.087 0.005 . 1 . . . . A 12 DG H1' . 34431 1 173 . 1 . 1 12 12 DG H2' H 1 2.553 0.003 . 2 . . . . A 12 DG H2' . 34431 1 174 . 1 . 1 12 12 DG H2'' H 1 2.770 0.003 . 2 . . . . A 12 DG H2'' . 34431 1 175 . 1 . 1 12 12 DG H3' H 1 4.979 0.000 . 1 . . . . A 12 DG H3' . 34431 1 176 . 1 . 1 12 12 DG H4' H 1 4.523 0.001 . 1 . . . . A 12 DG H4' . 34431 1 177 . 1 . 1 12 12 DG H5' H 1 4.365 0.004 . 1 . . . . A 12 DG H5' . 34431 1 178 . 1 . 1 12 12 DG H5'' H 1 4.365 0.004 . 1 . . . . A 12 DG H5'' . 34431 1 179 . 1 . 1 12 12 DG H8 H 1 7.647 0.002 . 1 . . . . A 12 DG H8 . 34431 1 180 . 1 . 1 12 12 DG C1' C 13 82.065 0.000 . 1 . . . . A 12 DG C1' . 34431 1 181 . 1 . 1 12 12 DG C3' C 13 75.920 0.000 . 1 . . . . A 12 DG C3' . 34431 1 182 . 1 . 1 12 12 DG C4' C 13 84.934 0.000 . 1 . . . . A 12 DG C4' . 34431 1 183 . 1 . 1 12 12 DG C5' C 13 65.676 0.000 . 1 . . . . A 12 DG C5' . 34431 1 184 . 1 . 1 12 12 DG C8 C 13 134.656 0.000 . 1 . . . . A 12 DG C8 . 34431 1 185 . 1 . 1 12 12 DG N1 N 15 143.265 0.000 . 1 . . . . A 12 DG N1 . 34431 1 186 . 1 . 1 13 13 DG H1 H 1 11.223 0.002 . 1 . . . . A 13 DG H1 . 34431 1 187 . 1 . 1 13 13 DG H1' H 1 6.199 0.003 . 1 . . . . A 13 DG H1' . 34431 1 188 . 1 . 1 13 13 DG H2' H 1 2.516 0.003 . 2 . . . . A 13 DG H2' . 34431 1 189 . 1 . 1 13 13 DG H2'' H 1 2.671 0.001 . 2 . . . . A 13 DG H2'' . 34431 1 190 . 1 . 1 13 13 DG H3' H 1 4.844 0.003 . 1 . . . . A 13 DG H3' . 34431 1 191 . 1 . 1 13 13 DG H4' H 1 4.116 0.003 . 1 . . . . A 13 DG H4' . 34431 1 192 . 1 . 1 13 13 DG H5' H 1 3.728 0.003 . 2 . . . . A 13 DG H5' . 34431 1 193 . 1 . 1 13 13 DG H5'' H 1 3.644 0.003 . 2 . . . . A 13 DG H5'' . 34431 1 194 . 1 . 1 13 13 DG H8 H 1 7.582 0.002 . 1 . . . . A 13 DG H8 . 34431 1 195 . 1 . 1 13 13 DG C1' C 13 83.264 0.000 . 1 . . . . A 13 DG C1' . 34431 1 196 . 1 . 1 13 13 DG C2' C 13 70.052 0.007 . 1 . . . . A 13 DG C2' . 34431 1 197 . 1 . 1 13 13 DG C4' C 13 84.867 0.000 . 1 . . . . A 13 DG C4' . 34431 1 198 . 1 . 1 13 13 DG C5' C 13 65.451 0.010 . 1 . . . . A 13 DG C5' . 34431 1 199 . 1 . 1 13 13 DG C8 C 13 134.442 0.000 . 1 . . . . A 13 DG C8 . 34431 1 200 . 1 . 1 13 13 DG N1 N 15 143.330 0.000 . 1 . . . . A 13 DG N1 . 34431 1 201 . 1 . 1 14 14 DA H1' H 1 6.044 0.003 . 1 . . . . A 14 DA H1' . 34431 1 202 . 1 . 1 14 14 DA H2 H 1 8.034 0.002 . 1 . . . . A 14 DA H2 . 34431 1 203 . 1 . 1 14 14 DA H2' H 1 2.567 0.002 . 2 . . . . A 14 DA H2' . 34431 1 204 . 1 . 1 14 14 DA H2'' H 1 2.634 0.003 . 2 . . . . A 14 DA H2'' . 34431 1 205 . 1 . 1 14 14 DA H3' H 1 4.962 0.000 . 1 . . . . A 14 DA H3' . 34431 1 206 . 1 . 1 14 14 DA H4' H 1 4.368 0.001 . 1 . . . . A 14 DA H4' . 34431 1 207 . 1 . 1 14 14 DA H5' H 1 4.111 0.004 . 1 . . . . A 14 DA H5' . 34431 1 208 . 1 . 1 14 14 DA H5'' H 1 4.111 0.004 . 1 . . . . A 14 DA H5'' . 34431 1 209 . 1 . 1 14 14 DA H8 H 1 8.192 0.000 . 1 . . . . A 14 DA H8 . 34431 1 210 . 1 . 1 14 14 DA C1' C 13 83.546 0.000 . 1 . . . . A 14 DA C1' . 34431 1 211 . 1 . 1 14 14 DA C2 C 13 152.584 0.000 . 1 . . . . A 14 DA C2 . 34431 1 212 . 1 . 1 14 14 DA C3' C 13 76.197 0.000 . 1 . . . . A 14 DA C3' . 34431 1 213 . 1 . 1 14 14 DA C4' C 13 84.133 0.000 . 1 . . . . A 14 DA C4' . 34431 1 214 . 1 . 1 14 14 DA C5' C 13 66.178 0.000 . 1 . . . . A 14 DA C5' . 34431 1 215 . 1 . 1 14 14 DA C8 C 13 139.257 0.000 . 1 . . . . A 14 DA C8 . 34431 1 216 . 1 . 1 15 15 DA H1' H 1 5.943 0.002 . 1 . . . . A 15 DA H1' . 34431 1 217 . 1 . 1 15 15 DA H2 H 1 7.864 0.001 . 1 . . . . A 15 DA H2 . 34431 1 218 . 1 . 1 15 15 DA H2' H 1 2.522 0.001 . 2 . . . . A 15 DA H2' . 34431 1 219 . 1 . 1 15 15 DA H2'' H 1 2.584 0.002 . 2 . . . . A 15 DA H2'' . 34431 1 220 . 1 . 1 15 15 DA H3' H 1 4.994 0.001 . 1 . . . . A 15 DA H3' . 34431 1 221 . 1 . 1 15 15 DA H4' H 1 4.364 0.000 . 1 . . . . A 15 DA H4' . 34431 1 222 . 1 . 1 15 15 DA H5' H 1 4.095 0.001 . 1 . . . . A 15 DA H5' . 34431 1 223 . 1 . 1 15 15 DA H5'' H 1 4.095 0.001 . 1 . . . . A 15 DA H5'' . 34431 1 224 . 1 . 1 15 15 DA H8 H 1 8.139 0.001 . 1 . . . . A 15 DA H8 . 34431 1 225 . 1 . 1 15 15 DA C1' C 13 82.560 0.000 . 1 . . . . A 15 DA C1' . 34431 1 226 . 1 . 1 15 15 DA C2 C 13 152.335 0.000 . 1 . . . . A 15 DA C2 . 34431 1 227 . 1 . 1 15 15 DA C3' C 13 76.599 0.000 . 1 . . . . A 15 DA C3' . 34431 1 228 . 1 . 1 15 15 DA C4' C 13 84.664 0.000 . 1 . . . . A 15 DA C4' . 34431 1 229 . 1 . 1 15 15 DA C5' C 13 65.417 0.000 . 1 . . . . A 15 DA C5' . 34431 1 230 . 1 . 1 15 15 DA C8 C 13 139.204 0.000 . 1 . . . . A 15 DA C8 . 34431 1 231 . 1 . 1 16 16 DG H1' H 1 5.425 0.002 . 1 . . . . A 16 DG H1' . 34431 1 232 . 1 . 1 16 16 DG H2' H 1 2.391 0.003 . 1 . . . . A 16 DG H2' . 34431 1 233 . 1 . 1 16 16 DG H2'' H 1 2.391 0.003 . 1 . . . . A 16 DG H2'' . 34431 1 234 . 1 . 1 16 16 DG H3' H 1 4.921 0.000 . 1 . . . . A 16 DG H3' . 34431 1 235 . 1 . 1 16 16 DG H4' H 1 4.229 0.003 . 1 . . . . A 16 DG H4' . 34431 1 236 . 1 . 1 16 16 DG H5' H 1 4.097 0.001 . 2 . . . . A 16 DG H5' . 34431 1 237 . 1 . 1 16 16 DG H5'' H 1 4.048 0.001 . 2 . . . . A 16 DG H5'' . 34431 1 238 . 1 . 1 16 16 DG H8 H 1 7.789 0.002 . 1 . . . . A 16 DG H8 . 34431 1 239 . 1 . 1 16 16 DG C1' C 13 82.162 0.000 . 1 . . . . A 16 DG C1' . 34431 1 240 . 1 . 1 16 16 DG C4' C 13 87.004 0.000 . 1 . . . . A 16 DG C4' . 34431 1 241 . 1 . 1 16 16 DG C5' C 13 65.601 0.007 . 1 . . . . A 16 DG C5' . 34431 1 242 . 1 . 1 16 16 DG C8 C 13 136.362 0.000 . 1 . . . . A 16 DG C8 . 34431 1 243 . 1 . 1 17 17 DA H1' H 1 6.011 0.002 . 1 . . . . A 17 DA H1' . 34431 1 244 . 1 . 1 17 17 DA H2 H 1 7.975 0.002 . 1 . . . . A 17 DA H2 . 34431 1 245 . 1 . 1 17 17 DA H2' H 1 2.460 0.004 . 2 . . . . A 17 DA H2' . 34431 1 246 . 1 . 1 17 17 DA H2'' H 1 2.538 0.002 . 2 . . . . A 17 DA H2'' . 34431 1 247 . 1 . 1 17 17 DA H3' H 1 4.942 0.002 . 1 . . . . A 17 DA H3' . 34431 1 248 . 1 . 1 17 17 DA H4' H 1 4.265 0.004 . 1 . . . . A 17 DA H4' . 34431 1 249 . 1 . 1 17 17 DA H5' H 1 4.101 0.009 . 2 . . . . A 17 DA H5' . 34431 1 250 . 1 . 1 17 17 DA H5'' H 1 4.064 0.000 . 2 . . . . A 17 DA H5'' . 34431 1 251 . 1 . 1 17 17 DA H8 H 1 8.082 0.002 . 1 . . . . A 17 DA H8 . 34431 1 252 . 1 . 1 17 17 DA C1' C 13 82.735 0.000 . 1 . . . . A 17 DA C1' . 34431 1 253 . 1 . 1 17 17 DA C2 C 13 152.499 0.000 . 1 . . . . A 17 DA C2 . 34431 1 254 . 1 . 1 17 17 DA C2' C 13 67.055 0.008 . 1 . . . . A 17 DA C2' . 34431 1 255 . 1 . 1 17 17 DA C3' C 13 76.056 0.000 . 1 . . . . A 17 DA C3' . 34431 1 256 . 1 . 1 17 17 DA C4' C 13 84.647 0.000 . 1 . . . . A 17 DA C4' . 34431 1 257 . 1 . 1 17 17 DA C8 C 13 138.886 0.000 . 1 . . . . A 17 DA C8 . 34431 1 258 . 1 . 1 18 18 DG H1' H 1 5.700 0.001 . 1 . . . . A 18 DG H1' . 34431 1 259 . 1 . 1 18 18 DG H2' H 1 2.410 0.004 . 1 . . . . A 18 DG H2' . 34431 1 260 . 1 . 1 18 18 DG H2'' H 1 2.410 0.004 . 1 . . . . A 18 DG H2'' . 34431 1 261 . 1 . 1 18 18 DG H3' H 1 4.910 0.004 . 1 . . . . A 18 DG H3' . 34431 1 262 . 1 . 1 18 18 DG H4' H 1 4.265 0.001 . 1 . . . . A 18 DG H4' . 34431 1 263 . 1 . 1 18 18 DG H5' H 1 4.052 0.006 . 1 . . . . A 18 DG H5' . 34431 1 264 . 1 . 1 18 18 DG H5'' H 1 4.052 0.006 . 1 . . . . A 18 DG H5'' . 34431 1 265 . 1 . 1 18 18 DG H8 H 1 7.779 0.003 . 1 . . . . A 18 DG H8 . 34431 1 266 . 1 . 1 18 18 DG C1' C 13 82.465 0.000 . 1 . . . . A 18 DG C1' . 34431 1 267 . 1 . 1 18 18 DG C2' C 13 66.680 0.000 . 1 . . . . A 18 DG C2' . 34431 1 268 . 1 . 1 18 18 DG C4' C 13 84.244 0.000 . 1 . . . . A 18 DG C4' . 34431 1 269 . 1 . 1 18 18 DG C5' C 13 65.108 0.000 . 1 . . . . A 18 DG C5' . 34431 1 270 . 1 . 1 18 18 DG C8 C 13 136.350 0.000 . 1 . . . . A 18 DG C8 . 34431 1 271 . 1 . 1 19 19 DG H1' H 1 5.771 0.003 . 1 . . . . A 19 DG H1' . 34431 1 272 . 1 . 1 19 19 DG H2' H 1 2.413 0.003 . 2 . . . . A 19 DG H2' . 34431 1 273 . 1 . 1 19 19 DG H2'' H 1 2.489 0.005 . 2 . . . . A 19 DG H2'' . 34431 1 274 . 1 . 1 19 19 DG H3' H 1 4.881 0.000 . 1 . . . . A 19 DG H3' . 34431 1 275 . 1 . 1 19 19 DG H4' H 1 4.228 0.001 . 1 . . . . A 19 DG H4' . 34431 1 276 . 1 . 1 19 19 DG H5' H 1 4.041 0.000 . 2 . . . . A 19 DG H5' . 34431 1 277 . 1 . 1 19 19 DG H5'' H 1 3.974 0.002 . 2 . . . . A 19 DG H5'' . 34431 1 278 . 1 . 1 19 19 DG H8 H 1 7.783 0.000 . 1 . . . . A 19 DG H8 . 34431 1 279 . 1 . 1 19 19 DG C1' C 13 82.926 0.000 . 1 . . . . A 19 DG C1' . 34431 1 280 . 1 . 1 19 19 DG C2' C 13 67.063 0.001 . 1 . . . . A 19 DG C2' . 34431 1 281 . 1 . 1 19 19 DG C4' C 13 84.648 0.000 . 1 . . . . A 19 DG C4' . 34431 1 282 . 1 . 1 19 19 DG C5' C 13 65.394 0.008 . 1 . . . . A 19 DG C5' . 34431 1 283 . 1 . 1 19 19 DG C8 C 13 136.626 0.000 . 1 . . . . A 19 DG C8 . 34431 1 284 . 1 . 1 20 20 DG H1' H 1 5.604 0.002 . 1 . . . . A 20 DG H1' . 34431 1 285 . 1 . 1 20 20 DG H2' H 1 2.420 0.004 . 1 . . . . A 20 DG H2' . 34431 1 286 . 1 . 1 20 20 DG H2'' H 1 2.420 0.004 . 1 . . . . A 20 DG H2'' . 34431 1 287 . 1 . 1 20 20 DG H3' H 1 4.826 0.000 . 1 . . . . A 20 DG H3' . 34431 1 288 . 1 . 1 20 20 DG H4' H 1 3.974 0.000 . 1 . . . . A 20 DG H4' . 34431 1 289 . 1 . 1 20 20 DG H5' H 1 3.916 0.004 . 2 . . . . A 20 DG H5' . 34431 1 290 . 1 . 1 20 20 DG H5'' H 1 3.860 0.003 . 2 . . . . A 20 DG H5'' . 34431 1 291 . 1 . 1 20 20 DG H8 H 1 7.817 0.001 . 1 . . . . A 20 DG H8 . 34431 1 292 . 1 . 1 20 20 DG C1' C 13 82.660 0.000 . 1 . . . . A 20 DG C1' . 34431 1 293 . 1 . 1 20 20 DG C2' C 13 66.798 0.000 . 1 . . . . A 20 DG C2' . 34431 1 294 . 1 . 1 20 20 DG C4' C 13 84.648 0.000 . 1 . . . . A 20 DG C4' . 34431 1 295 . 1 . 1 20 20 DG C5' C 13 65.194 0.011 . 1 . . . . A 20 DG C5' . 34431 1 296 . 1 . 1 20 20 DG C8 C 13 136.566 0.000 . 1 . . . . A 20 DG C8 . 34431 1 297 . 1 . 1 21 21 DA H1' H 1 5.931 0.001 . 1 . . . . A 21 DA H1' . 34431 1 298 . 1 . 1 21 21 DA H2 H 1 7.939 0.000 . 1 . . . . A 21 DA H2 . 34431 1 299 . 1 . 1 21 21 DA H2' H 1 2.525 0.006 . 2 . . . . A 21 DA H2' . 34431 1 300 . 1 . 1 21 21 DA H2'' H 1 2.593 0.002 . 2 . . . . A 21 DA H2'' . 34431 1 301 . 1 . 1 21 21 DA H3' H 1 4.897 0.002 . 1 . . . . A 21 DA H3' . 34431 1 302 . 1 . 1 21 21 DA H5' H 1 3.962 0.003 . 2 . . . . A 21 DA H5' . 34431 1 303 . 1 . 1 21 21 DA H5'' H 1 3.910 0.000 . 2 . . . . A 21 DA H5'' . 34431 1 304 . 1 . 1 21 21 DA H8 H 1 8.113 0.001 . 1 . . . . A 21 DA H8 . 34431 1 305 . 1 . 1 21 21 DA C1' C 13 83.033 0.000 . 1 . . . . A 21 DA C1' . 34431 1 306 . 1 . 1 21 21 DA C2 C 13 152.457 0.000 . 1 . . . . A 21 DA C2 . 34431 1 307 . 1 . 1 21 21 DA C2' C 13 67.965 0.008 . 1 . . . . A 21 DA C2' . 34431 1 308 . 1 . 1 21 21 DA C5' C 13 65.381 0.006 . 1 . . . . A 21 DA C5' . 34431 1 309 . 1 . 1 21 21 DA C8 C 13 139.004 0.000 . 1 . . . . A 21 DA C8 . 34431 1 310 . 1 . 1 22 22 DA H1' H 1 5.969 0.005 . 1 . . . . A 22 DA H1' . 34431 1 311 . 1 . 1 22 22 DA H2' H 1 2.538 0.006 . 2 . . . . A 22 DA H2' . 34431 1 312 . 1 . 1 22 22 DA H2'' H 1 2.587 0.004 . 2 . . . . A 22 DA H2'' . 34431 1 313 . 1 . 1 22 22 DA H3' H 1 4.940 0.005 . 1 . . . . A 22 DA H3' . 34431 1 314 . 1 . 1 22 22 DA H5' H 1 4.091 0.002 . 1 . . . . A 22 DA H5' . 34431 1 315 . 1 . 1 22 22 DA H5'' H 1 4.091 0.002 . 1 . . . . A 22 DA H5'' . 34431 1 316 . 1 . 1 22 22 DA H8 H 1 8.130 0.002 . 1 . . . . A 22 DA H8 . 34431 1 317 . 1 . 1 22 22 DA C1' C 13 82.822 0.000 . 1 . . . . A 22 DA C1' . 34431 1 318 . 1 . 1 22 22 DA C3' C 13 76.397 0.000 . 1 . . . . A 22 DA C3' . 34431 1 319 . 1 . 1 22 22 DA C5' C 13 65.137 0.000 . 1 . . . . A 22 DA C5' . 34431 1 320 . 1 . 1 22 22 DA C8 C 13 138.802 0.000 . 1 . . . . A 22 DA C8 . 34431 1 321 . 1 . 1 23 23 DG H1' H 1 5.641 0.001 . 1 . . . . A 23 DG H1' . 34431 1 322 . 1 . 1 23 23 DG H2' H 1 2.411 0.002 . 1 . . . . A 23 DG H2' . 34431 1 323 . 1 . 1 23 23 DG H2'' H 1 2.411 0.002 . 1 . . . . A 23 DG H2'' . 34431 1 324 . 1 . 1 23 23 DG H3' H 1 4.919 0.001 . 1 . . . . A 23 DG H3' . 34431 1 325 . 1 . 1 23 23 DG H4' H 1 4.271 0.001 . 1 . . . . A 23 DG H4' . 34431 1 326 . 1 . 1 23 23 DG H5' H 1 4.169 0.001 . 2 . . . . A 23 DG H5' . 34431 1 327 . 1 . 1 23 23 DG H5'' H 1 4.080 0.000 . 2 . . . . A 23 DG H5'' . 34431 1 328 . 1 . 1 23 23 DG H8 H 1 7.729 0.001 . 1 . . . . A 23 DG H8 . 34431 1 329 . 1 . 1 23 23 DG C1' C 13 82.739 0.000 . 1 . . . . A 23 DG C1' . 34431 1 330 . 1 . 1 23 23 DG C2' C 13 67.282 0.000 . 1 . . . . A 23 DG C2' . 34431 1 331 . 1 . 1 23 23 DG C4' C 13 85.078 0.000 . 1 . . . . A 23 DG C4' . 34431 1 332 . 1 . 1 23 23 DG C8 C 13 136.655 0.000 . 1 . . . . A 23 DG C8 . 34431 1 333 . 1 . 1 24 24 DA H1' H 1 6.213 0.001 . 1 . . . . A 24 DA H1' . 34431 1 334 . 1 . 1 24 24 DA H2' H 1 2.787 0.003 . 2 . . . . A 24 DA H2' . 34431 1 335 . 1 . 1 24 24 DA H2'' H 1 2.873 0.004 . 2 . . . . A 24 DA H2'' . 34431 1 336 . 1 . 1 24 24 DA H3' H 1 5.098 0.002 . 1 . . . . A 24 DA H3' . 34431 1 337 . 1 . 1 24 24 DA H4' H 1 4.454 0.002 . 1 . . . . A 24 DA H4' . 34431 1 338 . 1 . 1 24 24 DA H5' H 1 4.267 0.002 . 2 . . . . A 24 DA H5' . 34431 1 339 . 1 . 1 24 24 DA H5'' H 1 4.158 0.002 . 2 . . . . A 24 DA H5'' . 34431 1 340 . 1 . 1 24 24 DA H8 H 1 8.203 0.001 . 1 . . . . A 24 DA H8 . 34431 1 341 . 1 . 1 24 24 DA C1' C 13 81.962 0.000 . 1 . . . . A 24 DA C1' . 34431 1 342 . 1 . 1 24 24 DA C2' C 13 67.965 0.007 . 1 . . . . A 24 DA C2' . 34431 1 343 . 1 . 1 24 24 DA C3' C 13 76.509 0.000 . 1 . . . . A 24 DA C3' . 34431 1 344 . 1 . 1 24 24 DA C4' C 13 84.664 0.000 . 1 . . . . A 24 DA C4' . 34431 1 345 . 1 . 1 24 24 DA C8 C 13 139.511 0.000 . 1 . . . . A 24 DA C8 . 34431 1 346 . 1 . 1 25 25 DG H1 H 1 11.401 0.001 . 1 . . . . A 25 DG H1 . 34431 1 347 . 1 . 1 25 25 DG H1' H 1 6.106 0.006 . 1 . . . . A 25 DG H1' . 34431 1 348 . 1 . 1 25 25 DG H2' H 1 2.720 0.003 . 2 . . . . A 25 DG H2' . 34431 1 349 . 1 . 1 25 25 DG H2'' H 1 2.998 0.003 . 2 . . . . A 25 DG H2'' . 34431 1 350 . 1 . 1 25 25 DG H3' H 1 5.103 0.003 . 1 . . . . A 25 DG H3' . 34431 1 351 . 1 . 1 25 25 DG H4' H 1 4.531 0.003 . 1 . . . . A 25 DG H4' . 34431 1 352 . 1 . 1 25 25 DG H5' H 1 4.245 0.003 . 1 . . . . A 25 DG H5' . 34431 1 353 . 1 . 1 25 25 DG H5'' H 1 4.245 0.003 . 1 . . . . A 25 DG H5'' . 34431 1 354 . 1 . 1 25 25 DG H8 H 1 8.085 0.002 . 1 . . . . A 25 DG H8 . 34431 1 355 . 1 . 1 25 25 DG C1' C 13 82.283 0.000 . 1 . . . . A 25 DG C1' . 34431 1 356 . 1 . 1 25 25 DG C2' C 13 68.490 0.005 . 1 . . . . A 25 DG C2' . 34431 1 357 . 1 . 1 25 25 DG C3' C 13 77.145 0.000 . 1 . . . . A 25 DG C3' . 34431 1 358 . 1 . 1 25 25 DG C5' C 13 66.063 0.000 . 1 . . . . A 25 DG C5' . 34431 1 359 . 1 . 1 25 25 DG C8 C 13 135.426 0.000 . 1 . . . . A 25 DG C8 . 34431 1 360 . 1 . 1 25 25 DG N1 N 15 143.076 0.000 . 1 . . . . A 25 DG N1 . 34431 1 361 . 1 . 1 26 26 DG H1 H 1 11.557 0.002 . 1 . . . . A 26 DG H1 . 34431 1 362 . 1 . 1 26 26 DG H1' H 1 5.969 0.003 . 1 . . . . A 26 DG H1' . 34431 1 363 . 1 . 1 26 26 DG H2' H 1 2.650 0.002 . 2 . . . . A 26 DG H2' . 34431 1 364 . 1 . 1 26 26 DG H2'' H 1 2.716 0.001 . 2 . . . . A 26 DG H2'' . 34431 1 365 . 1 . 1 26 26 DG H3' H 1 5.095 0.002 . 1 . . . . A 26 DG H3' . 34431 1 366 . 1 . 1 26 26 DG H4' H 1 4.519 0.004 . 1 . . . . A 26 DG H4' . 34431 1 367 . 1 . 1 26 26 DG H5' H 1 4.333 0.005 . 1 . . . . A 26 DG H5' . 34431 1 368 . 1 . 1 26 26 DG H5'' H 1 4.333 0.005 . 1 . . . . A 26 DG H5'' . 34431 1 369 . 1 . 1 26 26 DG H8 H 1 7.846 0.002 . 1 . . . . A 26 DG H8 . 34431 1 370 . 1 . 1 26 26 DG C1' C 13 81.675 0.000 . 1 . . . . A 26 DG C1' . 34431 1 371 . 1 . 1 26 26 DG C3' C 13 77.715 0.000 . 1 . . . . A 26 DG C3' . 34431 1 372 . 1 . 1 26 26 DG C4' C 13 84.050 0.000 . 1 . . . . A 26 DG C4' . 34431 1 373 . 1 . 1 26 26 DG C8 C 13 134.975 0.000 . 1 . . . . A 26 DG C8 . 34431 1 374 . 1 . 1 26 26 DG N1 N 15 143.009 0.000 . 1 . . . . A 26 DG N1 . 34431 1 375 . 1 . 1 27 27 DG H1 H 1 10.851 0.001 . 1 . . . . A 27 DG H1 . 34431 1 376 . 1 . 1 27 27 DG H1' H 1 6.015 0.002 . 1 . . . . A 27 DG H1' . 34431 1 377 . 1 . 1 27 27 DG H2' H 1 1.645 0.003 . 2 . . . . A 27 DG H2' . 34431 1 378 . 1 . 1 27 27 DG H2'' H 1 2.140 0.001 . 2 . . . . A 27 DG H2'' . 34431 1 379 . 1 . 1 27 27 DG H3' H 1 4.934 0.003 . 1 . . . . A 27 DG H3' . 34431 1 380 . 1 . 1 27 27 DG H4' H 1 4.484 0.001 . 1 . . . . A 27 DG H4' . 34431 1 381 . 1 . 1 27 27 DG H5' H 1 4.224 0.001 . 1 . . . . A 27 DG H5' . 34431 1 382 . 1 . 1 27 27 DG H5'' H 1 4.224 0.001 . 1 . . . . A 27 DG H5'' . 34431 1 383 . 1 . 1 27 27 DG H8 H 1 7.289 0.001 . 1 . . . . A 27 DG H8 . 34431 1 384 . 1 . 1 27 27 DG H21 H 1 6.873 0.005 . 1 . . . . A 27 DG H21 . 34431 1 385 . 1 . 1 27 27 DG H22 H 1 6.873 0.005 . 1 . . . . A 27 DG H22 . 34431 1 386 . 1 . 1 27 27 DG C1' C 13 81.728 0.000 . 1 . . . . A 27 DG C1' . 34431 1 387 . 1 . 1 27 27 DG C2' C 13 67.245 0.006 . 1 . . . . A 27 DG C2' . 34431 1 388 . 1 . 1 27 27 DG C3' C 13 76.218 0.000 . 1 . . . . A 27 DG C3' . 34431 1 389 . 1 . 1 27 27 DG C4' C 13 84.670 0.000 . 1 . . . . A 27 DG C4' . 34431 1 390 . 1 . 1 27 27 DG C5' C 13 66.063 0.000 . 1 . . . . A 27 DG C5' . 34431 1 391 . 1 . 1 27 27 DG C8 C 13 133.533 0.000 . 1 . . . . A 27 DG C8 . 34431 1 392 . 1 . 1 27 27 DG N1 N 15 142.988 0.000 . 1 . . . . A 27 DG N1 . 34431 1 393 . 1 . 1 28 28 DG H1 H 1 10.999 0.001 . 1 . . . . A 28 DG H1 . 34431 1 394 . 1 . 1 28 28 DG H1' H 1 5.518 0.004 . 1 . . . . A 28 DG H1' . 34431 1 395 . 1 . 1 28 28 DG H2' H 1 2.568 0.001 . 2 . . . . A 28 DG H2' . 34431 1 396 . 1 . 1 28 28 DG H2'' H 1 2.805 0.004 . 2 . . . . A 28 DG H2'' . 34431 1 397 . 1 . 1 28 28 DG H3' H 1 4.985 0.003 . 1 . . . . A 28 DG H3' . 34431 1 398 . 1 . 1 28 28 DG H4' H 1 4.225 0.000 . 1 . . . . A 28 DG H4' . 34431 1 399 . 1 . 1 28 28 DG H5' H 1 4.176 0.004 . 1 . . . . A 28 DG H5' . 34431 1 400 . 1 . 1 28 28 DG H5'' H 1 4.176 0.004 . 1 . . . . A 28 DG H5'' . 34431 1 401 . 1 . 1 28 28 DG H8 H 1 7.940 0.001 . 1 . . . . A 28 DG H8 . 34431 1 402 . 1 . 1 28 28 DG H21 H 1 8.605 0.004 . 1 . . . . A 28 DG H21 . 34431 1 403 . 1 . 1 28 28 DG H22 H 1 8.605 0.005 . 1 . . . . A 28 DG H22 . 34431 1 404 . 1 . 1 28 28 DG C1' C 13 82.263 0.000 . 1 . . . . A 28 DG C1' . 34431 1 405 . 1 . 1 28 28 DG C2' C 13 66.239 0.000 . 1 . . . . A 28 DG C2' . 34431 1 406 . 1 . 1 28 28 DG C3' C 13 78.009 0.000 . 1 . . . . A 28 DG C3' . 34431 1 407 . 1 . 1 28 28 DG C5' C 13 66.254 0.000 . 1 . . . . A 28 DG C5' . 34431 1 408 . 1 . 1 28 28 DG C8 C 13 135.875 0.000 . 1 . . . . A 28 DG C8 . 34431 1 409 . 1 . 1 28 28 DG N1 N 15 143.401 0.000 . 1 . . . . A 28 DG N1 . 34431 1 410 . 1 . 1 29 29 DG H1' H 1 5.217 0.002 . 1 . . . . A 29 DG H1' . 34431 1 411 . 1 . 1 29 29 DG H2' H 1 1.996 0.006 . 2 . . . . A 29 DG H2' . 34431 1 412 . 1 . 1 29 29 DG H2'' H 1 2.148 0.003 . 2 . . . . A 29 DG H2'' . 34431 1 413 . 1 . 1 29 29 DG H3' H 1 4.384 0.001 . 1 . . . . A 29 DG H3' . 34431 1 414 . 1 . 1 29 29 DG H4' H 1 2.343 0.005 . 1 . . . . A 29 DG H4' . 34431 1 415 . 1 . 1 29 29 DG H5' H 1 3.581 0.002 . 2 . . . . A 29 DG H5' . 34431 1 416 . 1 . 1 29 29 DG H5'' H 1 3.581 0.002 . 2 . . . . A 29 DG H5'' . 34431 1 417 . 1 . 1 29 29 DG H8 H 1 7.576 0.002 . 1 . . . . A 29 DG H8 . 34431 1 418 . 1 . 1 29 29 DG C1' C 13 82.286 0.000 . 1 . . . . A 29 DG C1' . 34431 1 419 . 1 . 1 29 29 DG C2' C 13 69.095 0.007 . 1 . . . . A 29 DG C2' . 34431 1 420 . 1 . 1 29 29 DG C3' C 13 76.033 0.000 . 1 . . . . A 29 DG C3' . 34431 1 421 . 1 . 1 29 29 DG C4' C 13 84.229 0.000 . 1 . . . . A 29 DG C4' . 34431 1 422 . 1 . 1 29 29 DG C5' C 13 65.108 0.000 . 1 . . . . A 29 DG C5' . 34431 1 423 . 1 . 1 29 29 DG C8 C 13 136.107 0.000 . 1 . . . . A 29 DG C8 . 34431 1 424 . 1 . 1 30 30 DA H1' H 1 5.806 0.002 . 1 . . . . A 30 DA H1' . 34431 1 425 . 1 . 1 30 30 DA H2 H 1 7.489 0.002 . 1 . . . . A 30 DA H2 . 34431 1 426 . 1 . 1 30 30 DA H2' H 1 2.488 0.003 . 2 . . . . A 30 DA H2' . 34431 1 427 . 1 . 1 30 30 DA H2'' H 1 2.745 0.004 . 2 . . . . A 30 DA H2'' . 34431 1 428 . 1 . 1 30 30 DA H3' H 1 4.520 0.006 . 1 . . . . A 30 DA H3' . 34431 1 429 . 1 . 1 30 30 DA H4' H 1 4.074 0.002 . 1 . . . . A 30 DA H4' . 34431 1 430 . 1 . 1 30 30 DA H5' H 1 3.904 0.002 . 2 . . . . A 30 DA H5' . 34431 1 431 . 1 . 1 30 30 DA H5'' H 1 3.103 0.002 . 2 . . . . A 30 DA H5'' . 34431 1 432 . 1 . 1 30 30 DA H8 H 1 7.484 0.002 . 1 . . . . A 30 DA H8 . 34431 1 433 . 1 . 1 30 30 DA C1' C 13 81.659 0.000 . 1 . . . . A 30 DA C1' . 34431 1 434 . 1 . 1 30 30 DA C2 C 13 151.649 0.000 . 1 . . . . A 30 DA C2 . 34431 1 435 . 1 . 1 30 30 DA C3' C 13 72.687 0.000 . 1 . . . . A 30 DA C3' . 34431 1 436 . 1 . 1 30 30 DA C4' C 13 83.242 0.000 . 1 . . . . A 30 DA C4' . 34431 1 437 . 1 . 1 30 30 DA C5' C 13 66.802 0.004 . 1 . . . . A 30 DA C5' . 34431 1 438 . 1 . 1 30 30 DA C8 C 13 135.571 0.000 . 1 . . . . A 30 DA C8 . 34431 1 439 . 1 . 1 31 31 DG H1' H 1 5.586 0.001 . 1 . . . . A 31 DG H1' . 34431 1 440 . 1 . 1 31 31 DG H2' H 1 1.649 0.002 . 2 . . . . A 31 DG H2' . 34431 1 441 . 1 . 1 31 31 DG H2'' H 1 2.675 0.001 . 2 . . . . A 31 DG H2'' . 34431 1 442 . 1 . 1 31 31 DG H3' H 1 4.645 0.000 . 1 . . . . A 31 DG H3' . 34431 1 443 . 1 . 1 31 31 DG H4' H 1 4.135 0.002 . 1 . . . . A 31 DG H4' . 34431 1 444 . 1 . 1 31 31 DG H5' H 1 3.688 0.001 . 2 . . . . A 31 DG H5' . 34431 1 445 . 1 . 1 31 31 DG H5'' H 1 2.396 0.001 . 2 . . . . A 31 DG H5'' . 34431 1 446 . 1 . 1 31 31 DG H8 H 1 7.195 0.001 . 1 . . . . A 31 DG H8 . 34431 1 447 . 1 . 1 31 31 DG C1' C 13 86.025 0.000 . 1 . . . . A 31 DG C1' . 34431 1 448 . 1 . 1 31 31 DG C2' C 13 71.799 0.014 . 1 . . . . A 31 DG C2' . 34431 1 449 . 1 . 1 31 31 DG C3' C 13 76.693 0.000 . 1 . . . . A 31 DG C3' . 34431 1 450 . 1 . 1 31 31 DG C4' C 13 84.317 0.000 . 1 . . . . A 31 DG C4' . 34431 1 451 . 1 . 1 31 31 DG C5' C 13 64.498 0.001 . 1 . . . . A 31 DG C5' . 34431 1 452 . 1 . 1 31 31 DG C8 C 13 133.914 0.000 . 1 . . . . A 31 DG C8 . 34431 1 453 . 1 . 1 32 32 DG H1 H 1 11.482 0.002 . 1 . . . . A 32 DG H1 . 34431 1 454 . 1 . 1 32 32 DG H1' H 1 6.410 0.002 . 1 . . . . A 32 DG H1' . 34431 1 455 . 1 . 1 32 32 DG H2' H 1 2.752 0.003 . 2 . . . . A 32 DG H2' . 34431 1 456 . 1 . 1 32 32 DG H2'' H 1 3.470 0.002 . 2 . . . . A 32 DG H2'' . 34431 1 457 . 1 . 1 32 32 DG H3' H 1 4.885 0.005 . 1 . . . . A 32 DG H3' . 34431 1 458 . 1 . 1 32 32 DG H4' H 1 4.215 0.001 . 1 . . . . A 32 DG H4' . 34431 1 459 . 1 . 1 32 32 DG H5' H 1 4.271 0.000 . 2 . . . . A 32 DG H5' . 34431 1 460 . 1 . 1 32 32 DG H5'' H 1 4.134 0.000 . 2 . . . . A 32 DG H5'' . 34431 1 461 . 1 . 1 32 32 DG H8 H 1 7.762 0.002 . 1 . . . . A 32 DG H8 . 34431 1 462 . 1 . 1 32 32 DG H21 H 1 7.392 0.002 . 1 . . . . A 32 DG H21 . 34431 1 463 . 1 . 1 32 32 DG H22 H 1 7.392 0.002 . 1 . . . . A 32 DG H22 . 34431 1 464 . 1 . 1 32 32 DG C1' C 13 85.563 0.000 . 1 . . . . A 32 DG C1' . 34431 1 465 . 1 . 1 32 32 DG C2' C 13 68.020 0.009 . 1 . . . . A 32 DG C2' . 34431 1 466 . 1 . 1 32 32 DG C3' C 13 71.102 0.000 . 1 . . . . A 32 DG C3' . 34431 1 467 . 1 . 1 32 32 DG C4' C 13 85.251 0.000 . 1 . . . . A 32 DG C4' . 34431 1 468 . 1 . 1 32 32 DG C8 C 13 137.786 0.000 . 1 . . . . A 32 DG C8 . 34431 1 469 . 1 . 1 32 32 DG N1 N 15 143.270 0.000 . 1 . . . . A 32 DG N1 . 34431 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 34431 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID . _Spectral_peak_list.Chem_shift_reference_label . _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w1 (Hz) w2 (Hz) Volume Data Height A1H1'-H8 5.868 7.943 4989.47 6753.81 9.00e+006 ga 438048 A1H1'-G2H8 5.870 8.124 4991.17 6907.71 2.71e+006 ga 97288 A1H1'-G25H1 5.869 11.400 4990.32 9693.24 1.60e+006 ma 50173 A1H2-G2H1 7.972 11.737 6778.46 9979.78 1.72e+006 ga 50450 A1H2-T10H6 7.973 7.520 6779.31 6394.14 5.82e+005 ma 23870 A1H2"-H1' 2.669 5.868 2269.41 4989.47 1.59e+007 ga 602706 A1H2"-H4' 2.670 4.157 2270.26 3534.63 1.18e+006 ma 133208 A1H2"-H5'/5" 2.672 3.670 2271.96 3120.54 1.23e+006 ga 56084 A1H2"-H8 2.671 7.940 2271.11 6751.25 2.12e+007 ga 555317 A1H2"-G2H8 2.672 8.125 2271.96 6908.56 8.48e+006 ga 282303 A1H2"-G3H8 2.672 7.519 2271.96 6393.29 8.01e+005 ma 121183 A1H2"-G25H1 2.671 11.401 2271.11 9694.09 2.73e+006 ga 8998 A1H2'-H1' 2.473 5.866 2102.75 4987.77 1.27e+007 ga 356011 A1H2'-H4' 2.466 4.155 2096.80 3532.93 1.59e+006 ma 114312 A1H2'-H5'/5" 2.474 3.670 2103.60 3120.54 2.11e+006 ga 105466 A1H2'-H8 2.473 7.943 2102.75 6753.81 1.94e+007 ga 882918 A1H2'-G25H1 2.473 11.403 2102.75 9695.79 5.32e+005 ga -20722 A1H3'-H8 4.844 7.943 4118.78 6753.81 3.50e+006 ga 117892 A1H3'-G2H8 4.839 8.123 4114.52 6906.86 1.92e+006 ga 34392 A1H3'-G25H1 4.846 11.402 4120.48 9694.94 2.35e+005 ga -20685 A1H4'-H1' 4.166 5.868 3542.28 4989.47 9.45e+006 ga 339079 A1H5'/5"-H1' 3.670 5.868 3120.54 4989.47 1.18e+006 ga 31286 A1H5'/5"-H4' 3.671 4.156 3121.39 3533.78 9.20e+006 ma 697913 A1H5'/5"-H8 3.669 7.943 3119.69 6753.81 2.57e+006 ga 106738 A1H5'/5"-G2H8 3.666 8.125 3117.14 6908.56 6.71e+005 ga 7039 A1H5'/5"-G25H1 3.669 11.401 3119.69 9694.09 2.97e+005 ga -8631 A1H8-G25H1 7.946 11.401 6756.36 9694.09 2.15e+006 ga 41398 G2H1-G6H1 11.743 11.897 9984.88 10115.83 7.77e+005 ga 31181 G2H1'-A1H1' 6.224 5.869 5292.17 4990.32 1.08e+006 ma 28799 G2H1'-H8 6.224 8.128 5292.17 6911.11 5.17e+006 ma 211170 G2H1'-G3H8 6.223 7.518 5291.32 6392.44 7.37e+006 ga 338624 G2H1'-G26H1 6.233 11.557 5299.82 9826.73 2.00e+006 ma 17196 G2H2"-A1H8 3.169 7.936 2694.55 6747.85 1.02e+005 ma 20452 G2H2"-H1' 3.166 6.226 2692.00 5293.87 1.32e+007 ga 551222 G2H2"-H3' 3.160 5.088 2686.90 4326.24 3.75e+006 ga 172123 G2H2"-H5'/H5" 3.167 4.176 2692.85 3550.79 6.46e+005 ga 46818 G2H2"-H8 3.165 8.125 2691.15 6908.56 1.30e+007 ga 628058 G2H2"-G3H8 3.165 7.518 2691.15 6392.44 7.76e+006 ga 394986 G2H2"-G26H1 3.148 11.557 2676.69 9826.73 1.00e+006 ma 6019 G2H2'-A1H8 2.868 7.938 2438.61 6749.55 5.00e+005 ma 88284 G2H2'-H1' 2.870 6.219 2440.32 5287.92 1.74e+007 ga 625807 G2H2'-H2" 2.865 3.167 2436.06 2692.85 1.89e+007 ma 973894 G2H2'-H3' 2.871 5.093 2441.17 4330.50 8.60e+006 ga 334606 G2H2'-H5'/H5" 2.870 4.172 2440.32 3547.38 4.93e+006 ga 149876 G2H2'-H8 2.865 8.125 2436.06 6908.56 2.32e+007 ga 1054850 G2H2'-G3H8 2.865 7.518 2436.06 6392.44 7.60e+006 ga 258542 G2H2'-G25H1 2.864 11.401 2435.21 9694.09 2.72e+005 ga -4540 G2H2'-G26H1 2.876 11.555 2445.42 9825.03 1.00e+006 ma -4242 G2H3'-H1' 5.091 6.223 4328.80 5291.32 7.68e+006 ma 255672 G2H3'-H8 5.088 8.122 4326.24 6906.01 1.35e+006 ma 321851 G2H3'-G3H8 5.084 7.519 4322.84 6393.29 2.82e+006 ga 95755 G2H4'-H1' 4.534 6.219 3855.19 5287.92 1.47e+006 ma 471401 G2H4'-H3' 4.522 5.091 3844.98 4328.80 6.00e+006 ma 128797 G2H4'-H5'/H5" 4.533 4.180 3854.34 3554.19 4.02e+007 ma 1551746 G2H4'-H8 4.530 8.128 3851.79 6911.11 1.89e+006 ga 47843 G2H5'/H5"-H1' 4.170 6.222 3545.68 5290.47 4.68e+006 ga 134486 G2H5'/H5"-H3' 4.178 5.089 3552.49 4327.10 1.00e+007 ma 418570 G2H5'/H5"-H8 4.175 8.122 3549.94 6906.01 1.29e+006 ma 257144 G2H8-A1H8 8.123 7.940 6906.86 6751.25 2.74e+005 ma 46758 G2H8-G25H1 8.116 11.400 6900.90 9693.24 1.71e+006 ga 24902 G2H8-G26H1 8.122 11.554 6906.01 9824.18 2.40e+006 ma 28484 G3H1-G2H1 11.242 11.736 9558.89 9978.93 5.28e+005 ga 56964 G3H1-G6H1 11.241 11.899 9558.04 10117.53 2.19e+005 ga 18570 G3H1-G7H1 11.238 11.558 9555.49 9827.58 8.43e+005 ga 64198 G3H1'-G2H1 6.182 11.737 5256.46 9979.78 4.00e+005 ma -6715 G3H1'-H8 6.184 7.519 5258.16 6393.29 5.00e+006 ma 211207 G3H1'-G4H8 6.178 7.643 5253.05 6498.72 6.32e+006 ga 230168 G3H1'-G27H1 6.182 10.851 5256.46 9226.43 1.00e+006 ma -4163 G3H2"-H1 2.958 11.242 2515.14 9558.89 2.00e+005 ma 11086 G3H2"-H1' 2.959 6.181 2515.99 5255.61 1.22e+007 ma 569830 G3H2"-H3' 2.958 5.039 2515.14 4284.58 1.89e+006 ga 94049 G3H2"-H8 2.961 7.519 2517.69 6393.29 7.20e+006 ga 357210 G3H2"-G4H8 2.949 7.644 2507.49 6499.57 1.80e+007 ma 716004 G3H2"-G27H1 2.958 10.852 2515.14 9227.28 5.64e+005 ga 4102 G3H2'-H1' 2.585 6.178 2197.98 5253.05 1.18e+007 ga 353849 G3H2'-H2" 2.585 2.959 2197.98 2515.99 2.92e+007 ga 1084362 G3H2'-H3' 2.586 5.041 2198.83 4286.28 3.00e+006 ma 155081 G3H2'-H8 2.592 7.522 2203.94 6395.84 1.92e+007 ma 1218502 G3H2'-G4H8 2.594 7.645 2205.64 6500.42 6.00e+006 ma 410083 G3H2'-G27H1 2.583 10.849 2196.28 9224.73 5.00e+005 ma -21902 G3H21/22-H1 8.739 11.241 7430.63 9558.04 8.00e+006 ma 56119 G3H3'-H1' 5.045 6.175 4289.68 5250.50 8.53e+006 ma 179087 G3H3'-H8 5.036 7.519 4282.03 6393.29 3.00e+006 ma 271470 G3H3'-G4H8 5.048 7.644 4292.23 6499.57 5.00e+006 ma 182949 G3H4'-H1' 4.546 6.178 3865.39 5253.05 2.04e+006 ma 410451 G3H4'-H8 4.537 7.519 3857.74 6393.29 1.82e+006 ma 82625 G3H5"-G2H8 4.349 8.127 3697.89 6910.26 4.78e+005 ma 71183 G3H5"-H1' 4.346 6.178 3695.33 5253.05 2.09e+007 ma 202739 G3H5"-H3' 4.341 5.040 3691.08 4285.43 1.16e+006 ma 46230 G3H5"-H8 4.342 7.520 3691.93 6394.14 5.00e+006 ma 203903 G3H5'-G2H1' 4.408 6.226 3748.05 5293.87 2.12e+007 ma 334220 G3H5'-G2H8 4.414 8.127 3753.15 6910.26 1.53e+006 ga 28981 G3H5'-H1' 4.412 6.177 3751.45 5252.20 2.05e+006 ma 387718 G3H5'-H3' 4.428 5.038 3765.06 4283.73 1.16e+006 ga 63772 G3H5'-H8 4.409 7.520 3748.90 6394.14 5.00e+006 ma 118618 G3H5'-G4H8 4.416 7.644 3754.85 6499.57 8.20e+005 ma 143122 G3H8-G2H8 7.520 8.124 6394.14 6907.71 3.34e+006 ga 82167 G3H8-G26H1 7.519 11.557 6393.29 9826.73 6.54e+006 ga 61868 G3H8-G27H1 7.503 10.850 6379.68 9225.58 2.00e+006 ma 26098 G4H1-G3H1 10.888 11.242 9257.89 9558.89 8.12e+005 ga 79906 G4H1-G32H1 10.889 11.483 9258.74 9763.81 6.24e+005 ga 23995 G4H1'-G3H1 6.498 11.241 5525.15 9558.04 7.41e+006 ga 57324 G4H1'-H1 6.503 10.889 5529.40 9258.74 2.00e+006 ma 31868 G4H1'-H8 6.495 7.644 5522.59 6499.57 2.97e+006 ga 168491 G4H1'-G7H8 6.498 7.988 5525.15 6792.07 1.24e+006 ga 26695 G4H1'-A30H1' 6.495 5.806 5522.59 4936.75 6.70e+005 ma 40328 G4H1'-A30H2 6.496 7.488 5523.44 6366.93 5.43e+005 ma 65865 G4H1'-G32H8 6.483 7.762 5512.39 6599.90 3.00e+005 ma 24731 G4H2"-H1' 2.897 6.496 2463.27 5523.44 1.05e+007 ga 440810 G4H2"-H3' 2.898 5.226 2464.12 4443.58 1.13e+007 ma 525934 G4H2"-H8 2.893 7.645 2459.87 6500.42 1.53e+007 ma 1033557 G4H2"-A30H1' 2.899 5.806 2464.97 4936.75 8.49e+005 ga 20490 G4H2"-A30H2 2.897 7.488 2463.27 6366.93 6.50e+006 ga 250639 G4H2'-H1' 2.823 6.500 2400.35 5526.85 9.98e+006 ma 736852 G4H2'-H2" 2.823 2.904 2400.35 2469.22 4.59e+007 ga 1419140 G4H2'-H3' 2.823 5.226 2400.35 4443.58 8.59e+006 ga 480533 G4H2'-H8 2.822 7.644 2399.50 6499.57 1.36e+007 ga 598268 G4H2'-A30H1' 2.818 5.806 2396.10 4936.75 1.46e+006 ga 37004 G4H2'-A30H2 2.821 7.488 2398.65 6366.93 6.71e+006 ga 264148 G4H21/22-H1 9.440 10.889 8026.68 9258.74 5.00e+006 ma 50272 G4H3'-H1' 5.226 6.497 4443.58 5524.30 4.04e+006 ga 187675 G4H3'-H8 5.226 7.644 4443.58 6499.57 4.05e+006 ga 226618 G4H3'-A30H1' 5.225 5.806 4442.73 4936.75 1.00e+006 ga -646 G4H4'-H1' 4.390 6.498 3732.75 5525.15 1.06e+006 ma 183341 G4H4'-H3' 4.387 5.224 3730.20 4441.88 1.45e+006 ma 584905 G4H4'-H8 4.388 7.646 3731.05 6501.27 4.00e+006 ma 266865 G4H8-G27H1 7.645 10.850 6500.42 9225.58 1.49e+006 ga 35686 C5H1'-H5 6.532 6.252 5554.06 5315.98 7.88e+005 ma 34069 C5H1'-H6 6.532 8.089 5554.06 6877.95 3.00e+006 ma 151135 C5H2"-H1' 2.825 6.534 2402.05 5555.76 5.00e+006 ma 769973 C5H2"-H3' 2.823 5.144 2400.35 4373.86 2.30e+006 ga 195241 C5H2"-H6 2.820 8.089 2397.80 6877.95 5.92e+006 ga 339828 C5H2'-H1' 2.504 6.534 2129.11 5555.76 3.00e+006 ga 290776 C5H2'-H2" 2.504 2.826 2129.11 2402.90 2.60e+007 ga 1819640 C5H2'-H3' 2.503 5.144 2128.26 4373.86 2.03e+006 ga 218386 C5H2'-H6 2.508 8.089 2132.51 6877.95 6.34e+006 ma 1039462 C5H3'-G4H1' 5.147 6.498 4376.41 5525.15 4.19e+005 ma 35535 C5H3'-H1' 5.142 6.534 4372.16 5555.76 1.54e+006 ga 126285 C5H3'-H5 5.141 6.252 4371.31 5315.98 9.07e+005 ga 28838 C5H3'-H6 5.135 8.088 4366.21 6877.10 1.04e+007 ma 294516 C5H4'-G3H1 4.397 11.242 3738.70 9558.89 5.55e+005 ga -1950 C5H4'-H1' 4.390 6.531 3732.75 5553.20 4.78e+005 ma 86004 C5H4'-H3' 4.390 5.143 3732.75 4373.01 1.92e+006 ma 141200 C5H4'-H6 4.389 8.086 3731.90 6875.40 1.03e+007 ma 281838 C5H5-H6 6.252 8.091 5315.98 6879.65 2.35e+007 ga 948123 G6H1'-G2H1 6.216 11.738 5285.37 9980.63 2.00e+005 ma -14257 G6H1'-G3H1 6.192 11.240 5264.96 9557.19 2.19e+006 ga 16957 G6H1'-H1 6.211 11.898 5281.11 10116.68 2.00e+006 ma 17473 G6H1'-H8 6.209 8.084 5279.41 6873.70 6.01e+006 ma 217467 G6H1'-G7H8 6.211 7.988 5281.11 6792.07 4.07e+006 ga 165825 G6H2"-H1' 2.960 6.213 2516.84 5282.81 1.89e+006 ma 597585 G6H2"-H3' 2.961 5.223 2517.69 4441.03 7.37e+006 ga 348870 G6H2"-H8 2.961 8.085 2517.69 6874.55 1.87e+007 ga 367640 G6H2"-G7H8 2.959 7.989 2515.99 6792.92 1.30e+007 ga 914409 G6H2'-G3H1 2.390 11.241 2032.18 9558.04 5.14e+005 ga -32893 G6H2'-H1' 2.393 6.211 2034.73 5281.11 8.95e+006 ga 339130 G6H2'-H2" 2.392 2.962 2033.88 2518.54 2.85e+007 ga 945529 G6H2'-H3' 2.391 5.222 2033.03 4440.18 8.80e+006 ga 373828 G6H2'-H8 2.392 8.084 2033.88 6873.70 2.00e+007 ga 851127 G6H2'-G7H8 2.391 7.993 2033.03 6796.32 1.33e+007 ga 404907 G6H21/22-H1 9.361 11.899 7959.51 10117.53 3.85e+006 ga 33760 G6H3'-C5H1' 5.222 6.534 4440.18 5555.76 1.89e+006 ma 20013 G6H3'-H1' 5.222 6.211 4440.18 5281.11 3.53e+006 ga 157594 G6H3'-H8 5.222 8.085 4440.18 6874.55 3.01e+006 ga 170759 G6H3'-G7H8 5.227 7.990 4444.43 6793.77 4.00e+006 ma 150947 G6H4'-C5H3' 4.455 5.143 3788.02 4373.01 6.44e+005 ma 94985 G6H4'-H1' 4.454 6.214 3787.16 5283.66 6.35e+006 ma 321190 G6H4'-H8 4.469 8.089 3799.92 6877.95 2.90e+006 ma 205444 G6H5"/5'-H1' 4.304 6.210 3659.62 5280.26 1.81e+006 ma 309845 G6H5"/5'-G7H8 4.305 7.989 3660.47 6792.92 8.00e+005 ma 118709 G6H8-G2H1 8.084 11.737 6873.70 9979.78 1.80e+006 ma -2783 G6H8-G3H1 8.084 11.238 6873.70 9555.49 2.02e+006 ga 14691 G7H1-G6H1 11.560 11.898 9829.28 10116.68 1.60e+006 ga 88472 G7H1-G11H1 11.565 11.774 9833.53 10011.24 5.31e+005 ga 18489 G7H1'-G3H1 6.096 11.237 5183.33 9554.64 8.00e+005 ma 3126 G7H1'-G4H1 6.092 10.890 5179.93 9259.59 1.50e+006 ma 2630 G7H1'-G6H1 6.098 11.899 5185.03 10117.53 6.00e+005 ma 12908 G7H1'-H1 6.093 11.559 5180.78 9828.43 4.18e+006 ga 22307 G7H1'-H8 6.092 7.988 5179.93 6792.07 2.89e+006 ga 190307 G7H1'-G32H1 6.091 11.482 5179.08 9762.96 2.69e+005 ga -7345 G7H1'-G32H8 6.093 7.761 5180.78 6599.05 6.94e+006 ga 285242 G7H2"-G4H1 2.922 10.890 2484.53 9259.59 5.67e+005 ga 8446 G7H2"-G6H1 2.927 11.899 2488.78 10117.53 2.00e+005 ma -6119 G7H2"-H1' 2.923 6.093 2485.38 5180.78 5.87e+006 ga 388207 G7H2"-H3' 2.923 5.266 2485.38 4477.60 5.00e+006 ma 423605 G7H2"-H8 2.921 7.988 2483.68 6792.07 7.10e+006 ga 804640 G7H2"-G32H1' 2.924 6.411 2486.23 5451.17 2.23e+006 ga 73491 G7H2"-G32H8 2.923 7.761 2485.38 6599.05 8.93e+006 ga 318817 G7H2'-G4H1 2.643 10.890 2247.30 9259.59 5.00e+005 ma -2660 G7H2'-H1' 2.643 6.094 2247.30 5181.63 3.17e+007 ma 625503 G7H2'-H2" 2.642 2.924 2246.45 2486.23 1.96e+007 ga 1029568 G7H2'-H3' 2.642 5.267 2246.45 4478.45 5.78e+006 ga 351096 G7H2'-H8 2.642 7.989 2246.45 6792.92 6.60e+006 ga 517583 G7H2'-G32H1' 2.640 6.410 2244.75 5450.32 7.79e+006 ga 204507 G7H2'-G32H8 2.641 7.761 2245.60 6599.05 1.90e+007 ga 638072 G7H3'-H1' 5.267 6.094 4478.45 5181.63 1.66e+006 ga 164960 G7H3'-H8 5.265 7.990 4476.75 6793.77 4.58e+006 ga 196634 G7H3'-T8H6 5.266 7.887 4477.60 6706.19 5.87e+004 ma 33866 G7H3'-G32H1' 5.267 6.412 4478.45 5452.02 4.26e+005 ga 24995 G7H3'-G32H8 5.268 7.761 4479.30 6599.05 1.92e+006 ga 105175 G7H4'-H1' 4.454 6.093 3787.16 5180.78 1.04e+006 ma 329793 G7H4'-H3' 4.454 5.267 3787.16 4478.45 2.94e+006 ga 345440 G7H4'-H8 4.457 7.988 3789.72 6792.07 3.01e+006 ga 77522 G7H4'-G32H8 4.453 7.761 3786.31 6599.05 6.79e+005 ma 54946 G7H5"/5'-H1' 4.313 6.101 3667.27 5187.58 2.20e+006 ma 331114 G7H5"/5'-H3' 4.311 5.267 3665.57 4478.45 3.00e+006 ma 384071 G7H8-G3H1 7.988 11.239 6792.07 9556.34 4.00e+006 ma 51417 G7H8-G4H1 7.988 10.889 6792.07 9258.74 1.02e+006 ga 24964 G7H8-G6H1 7.986 11.899 6790.37 10117.53 2.72e+005 ga -3754 G7H8-G6H8 7.991 8.085 6794.62 6874.55 3.13e+005 ga 37898 T8H1'-H6 6.462 7.886 5494.54 6705.34 1.00e+007 ma 237712 T8H2"-H1' 2.691 6.461 2288.11 5493.68 1.59e+007 ga 744938 T8H2"-H5'/5" 2.692 4.269 2288.96 3629.86 7.00e+006 ma 63913 T8H2"-H6 2.690 7.885 2287.26 6704.49 9.00e+006 ma 513079 T8H2'-H1' 2.507 6.461 2131.66 5493.68 5.40e+006 ga 283445 T8H2'-H2" 2.507 2.698 2131.66 2294.07 4.60e+007 ga 2322292 T8H2'-H5'/5" 2.499 4.270 2124.86 3630.71 4.00e+006 ma 10538 T8H2'-H6 2.507 7.886 2131.66 6705.34 2.05e+007 ga 932023 T8H3'-G7H3' 4.954 5.266 4212.31 4477.60 1.61e+005 ga 20095 T8H3'-H1' 4.952 6.460 4210.61 5492.83 2.42e+006 ga 82364 T8H3'-H6 4.950 7.887 4208.91 6706.19 1.25e+007 ma 269343 T8H4'-H1' 4.522 6.461 3844.98 5493.68 4.33e+006 ga 188366 T8H4'-H6 4.522 7.886 3844.98 6705.34 2.17e+006 ma 187947 T8H4'-T9H1' 4.523 6.523 3845.83 5546.40 2.27e+006 ma 269312 T8H5'/5"-H1' 4.273 6.461 3633.26 5493.68 1.53e+006 ga 59828 T8H5'/5"-H6 4.278 7.881 3637.51 6701.09 3.00e+006 ma 348672 T8H7-H1' 2.063 6.461 1754.14 5493.68 9.51e+005 ga 31110 T8H7-H6 2.056 7.886 1748.18 6705.34 6.11e+006 ga 997196 T8H7-T9H1' 2.059 6.522 1750.73 5545.55 1.60e+005 ga -1990 T8H7-T9H2" 2.057 2.662 1749.03 2263.46 1.65e+006 ma -1621 T8H7-T9H2' 2.057 2.597 1749.03 2208.19 2.32e+007 ga 16751 T9H1'-G6H1 6.515 11.899 5539.60 10117.53 2.93e+006 ga 8422 T9H1'-H6 6.521 7.887 5544.70 6706.19 1.29e+007 ga 255111 T9H1'-T10H1' 6.516 6.044 5540.45 5139.12 6.60e+005 ma 28696 T9H1'-T10H6 6.520 7.520 5543.85 6394.14 1.74e+006 ma 32149 T9H2"-G7H1 2.657 11.558 2259.20 9827.58 1.00e+005 ma -27402 T9H2"-H1' 2.662 6.521 2263.46 5544.70 1.45e+007 ga 611759 T9H2"-H3' 2.659 5.032 2260.91 4278.63 2.77e+006 ga 58139 T9H2"-H6 2.653 7.886 2255.80 6705.34 9.00e+006 ma 545806 T9H2'-G7H1 2.595 11.558 2206.49 9827.58 1.00e+005 ma -24668 T9H2'-H1' 2.601 6.521 2211.59 5544.70 8.52e+006 ga 371213 T9H2'-H2" 2.600 2.659 2210.74 2260.91 1.58e+008 ga 3349891 T9H2'-H3' 2.598 5.033 2209.04 4279.48 3.38e+006 ga 182088 T9H2'-H5'/5" 2.602 4.269 2212.44 3629.86 2.60e+006 ga 50054 T9H2'-H6 2.598 7.887 2209.04 6706.19 2.74e+007 ga 1160794 T9H3'-H1' 5.034 6.522 4280.33 5545.55 1.46e+006 ma 111920 T9H3'-H6 5.033 7.887 4279.48 6706.19 5.16e+006 ga 252692 T9H4'-H1' 4.461 6.522 3793.12 5545.55 3.29e+006 ma 111942 T9H4'-H6 4.455 7.887 3788.02 6706.19 2.87e+006 ma 140495 T9H5'/5"-G6H3' 4.279 5.222 3638.37 4440.18 6.00e+005 ma 145664 T9H5'/5"-H1' 4.275 6.523 3634.96 5546.40 2.21e+006 ga 79371 T9H5'/5"-H3' 4.273 5.034 3633.26 4280.33 2.48e+006 ga 83042 T9H5'/5"-H6 4.276 7.891 3635.81 6709.59 3.00e+006 ma 340505 T9H5'/5"-G32H1' 4.276 6.410 3635.81 5450.32 4.68e+005 ma 51259 T9H7-G6H1 2.090 11.898 1777.09 10116.68 1.40e+005 ga -17543 T9H7-G7H1 2.096 11.563 1782.20 9831.83 1.55e+005 ga -15949 T9H7-G7H1' 2.095 6.093 1781.34 5180.78 9.85e+005 ga 73782 T9H7-G7H3' 2.094 5.266 1780.49 4477.60 5.00e+005 ma -3185 T9H7-H6 2.096 7.886 1782.20 6705.34 6.40e+006 ga 960361 T9H7-G11H8 2.093 8.099 1779.64 6886.45 1.29e+005 ma 23280 T9H7-G32H1' 2.103 6.409 1788.15 5449.47 2.00e+006 ma 2149 T9H7-G32H2" 2.091 3.471 1777.94 2951.34 2.49e+005 ga -22555 T9H7-G32H2' 2.100 2.751 1785.60 2339.13 2.00e+005 ma -12923 T9H7-G32H8 2.101 7.764 1786.45 6601.60 3.52e+006 ga 33706 T10H1'-G6H1 6.045 11.898 5139.97 10116.68 1.20e+006 ma 19772 T10H1'-H6 6.045 7.520 5139.97 6394.14 6.56e+006 ga 267403 T10H1'-G11H8 6.043 8.102 5138.27 6889.00 3.00e+006 ma 152844 T10H2"-G6H1 2.603 11.899 2213.29 10117.53 7.96e+005 ga 10296 T10H2"-H1' 2.604 6.045 2214.14 5139.97 3.72e+007 ma 863896 T10H2"-H5" 2.600 4.031 2210.74 3427.49 2.15e+006 ma 84645 T10H2"-H6 2.595 7.518 2206.49 6392.44 2.48e+007 ga 1218502 T10H2'-G6H1 2.454 11.900 2086.60 10118.38 5.21e+005 ga -16735 T10H2'-T9H1' 2.454 6.523 2086.60 5546.40 1.54e+006 ga 61177 T10H2'-H1' 2.456 6.046 2088.30 5140.82 9.09e+006 ga 354314 T10H2'-H2" 2.456 2.604 2088.30 2214.14 5.06e+007 ga 1236649 T10H2'-H6 2.455 7.520 2087.45 6394.14 2.45e+007 ga 1068169 T10H3'-T9H1' 4.976 6.522 4231.01 5545.55 1.45e+007 ga 165027 T10H3'-H1' 4.989 6.043 4242.07 5138.27 1.04e+007 ma 147290 T10H3'-H6 4.976 7.521 4231.01 6394.99 1.13e+006 ma 299782 T10H4'-H1' 4.349 6.040 3697.89 5135.72 2.19e+006 ma 401074 T10H5"-H1' 4.032 6.045 3428.35 5139.97 4.07e+006 ga 63288 T10H5"-H5' 4.028 4.152 3424.94 3530.38 3.90e+007 ga 1474611 T10H5"-H6 4.029 7.520 3425.79 6394.14 4.40e+006 ga 163705 T10H5'-H1' 4.148 6.044 3526.98 5139.12 4.26e+006 ma 242154 T10H5'-H6 4.152 7.521 3530.38 6394.99 5.89e+006 ga 163550 T10H6-G2H1 7.523 11.737 6396.69 9979.78 4.02e+005 ga -4049 T10H6-G6H1 7.520 11.897 6394.14 10115.83 4.11e+005 ga 5668 T10H6-G11H8 7.523 8.100 6396.69 6887.30 1.00e+006 ma 39751 T10H7-G2H1 1.514 11.737 1287.33 9979.78 8.00e+005 ma -5992 T10H7-G6H1 1.516 11.899 1289.03 10117.53 5.86e+005 ga 19806 T10H7-G6H1' 1.516 6.211 1289.03 5281.11 3.06e+006 ga 160185 T10H7-G6H2" 1.517 2.958 1289.88 2515.14 4.19e+005 ga -3031 T10H7-G6H8 1.516 8.084 1289.03 6873.70 1.25e+006 ga 62277 T10H7-T9H1' 1.518 6.521 1290.73 5544.70 5.26e+005 ga 11607 T10H7-H1' 1.517 6.044 1289.88 5139.12 4.04e+005 ga 18993 T10H7-H2" 1.517 2.604 1289.88 2214.14 1.10e+006 ga 29670 T10H7-H2' 1.516 2.453 1289.03 2085.75 1.84e+006 ma 52371 T10H7-H5" 1.517 4.025 1289.88 3422.39 9.12e+005 ga 20301 T10H7-H6 1.516 7.520 1289.03 6394.14 1.20e+007 ma 952471 G11H1-G6H1 11.789 11.898 10024.00 10116.68 1.83e+006 ga 27230 G11H1'-H8 6.256 8.103 5319.38 6889.85 2.36e+006 ma 590874 G11H1'-G12H1' 6.257 6.082 5320.23 5171.43 2.55e+006 ma 65377 G11H1'-G12H8 6.255 7.646 5318.53 6501.27 6.47e+006 ga 308972 G11H2"-G7H1 3.118 11.562 2651.19 9830.98 6.00e+005 ma 5026 G11H2"-H1' 3.115 6.255 2648.63 5318.53 1.00e+007 ma 676311 G11H2"-H3' 3.116 5.078 2649.48 4317.74 4.00e+006 ma 144656 G11H2"-H8 3.115 8.100 2648.63 6887.30 1.00e+007 ma 501052 G11H2"-G12H8 3.115 7.646 2648.63 6501.27 9.47e+006 ga 505850 G11H2'-G7H1 2.914 11.560 2477.73 9829.28 6.70e+005 ga 2431 G11H2'-H1' 2.914 6.254 2477.73 5317.68 1.00e+007 ma 393472 G11H2'-H2" 2.914 3.118 2477.73 2651.19 1.75e+007 ma 1085919 G11H2'-H3' 2.908 5.081 2472.63 4320.29 4.00e+006 ma 175026 G11H2'-H8 2.913 8.100 2476.88 6887.30 1.14e+007 ga 934919 G11H2'-G12H8 2.913 7.644 2476.88 6499.57 1.50e+007 ma 947088 G11H3'-G7H1 5.081 11.558 4320.29 9827.58 4.31e+005 ga -1374 G11H3'-H1' 5.079 6.250 4318.59 5314.27 2.62e+006 ma 168255 G11H3'-H8 5.074 8.102 4314.34 6889.00 8.20e+006 ga 269175 G11H4'-H1' 4.532 6.255 3853.49 5318.53 2.15e+006 ma 323616 G11H4'-H8 4.525 8.099 3847.54 6886.45 1.87e+006 ma 130089 G11H8-G6H1 8.098 11.898 6885.60 10116.68 7.67e+005 ga 7052 G11H8-G7H1 8.104 11.561 6890.70 9830.13 2.40e+006 ma 22479 G12H1-G7H1 11.402 11.550 9694.94 9820.78 5.00e+005 ma 119308 G12H1-G11H1 11.396 11.774 9689.84 10011.24 1.00e+006 ma 77373 G12H1-G26H1 11.400 11.561 9693.24 9830.13 5.00e+005 ma 124590 G12H1-G32H1 11.400 11.480 9693.24 9761.26 6.00e+005 ma 39695 G12H1'-H1 6.103 11.396 5189.28 9689.84 8.12e+005 ma 57104 G12H1'-H8 6.086 7.647 5174.83 6502.12 5.44e+006 ga 183430 G12H1'-G13H8 6.087 7.582 5175.68 6446.85 6.73e+006 ga 223105 G12H2"-H1' 2.772 6.085 2356.99 5173.98 1.45e+007 ga 705486 G12H2"-H8 2.769 7.647 2354.44 6502.12 1.26e+007 ga 422182 G12H2"-G13H5" 2.767 3.642 2352.74 3096.73 2.34e+007 ma 23255 G12H2"-G13H5' 2.767 3.728 2352.74 3169.86 1.12e+007 ma 60636 G12H2"-G13H8 2.769 7.581 2354.44 6446.00 1.61e+007 ga 625096 G12H2'-H1' 2.550 6.086 2168.22 5174.83 1.15e+007 ga 351854 G12H2'-H2" 2.554 2.776 2171.63 2360.39 5.23e+007 ga 1155122 G12H2'-H8 2.557 7.646 2174.18 6501.27 2.80e+007 ga 839895 G12H2'-A14H2 2.550 8.034 2168.22 6831.18 3.00e+006 ma 269303 G12H3'-H1' 4.978 6.085 4232.71 5173.98 9.96e+006 ma 173652 G12H3'-H8 4.979 7.647 4233.56 6502.12 1.18e+007 ma 241096 G12H4'-G11H1 4.524 11.775 3846.68 10012.09 3.18e+005 ga -11040 G12H4'-H1' 4.523 6.087 3845.83 5175.68 1.94e+006 ma 374646 G12H4'-H8 4.522 7.646 3844.98 6501.27 4.71e+006 ga 100410 G12H5"/5'-H1' 4.362 6.085 3708.94 5173.98 2.13e+006 ma 192197 G12H5"/5'-H8 4.369 7.646 3714.89 6501.27 5.00e+006 ma 307857 G12H8-G7H1 7.648 11.561 6502.97 9830.13 5.87e+006 ga 68835 G12H8-G11H1 7.652 11.774 6506.37 10011.24 2.00e+006 ma 1797 G12H8-G11H8 7.647 8.099 6502.12 6886.45 1.90e+006 ga 70258 G12H8-G32H1 7.647 11.482 6502.12 9762.96 1.02e+006 ga 26371 G13H1-G12H1 11.222 11.392 9541.89 9686.44 1.91e+006 ga 93572 G13H1-G32H1 11.224 11.483 9543.59 9763.81 5.00e+005 ma 21372 G13H1'-G12H1 6.202 11.396 5273.46 9689.84 4.00e+005 ma 36429 G13H1'-H8 6.193 7.587 5265.81 6451.10 7.98e+006 ga 224742 G13H1'-G31H1' 6.203 5.587 5274.31 4750.54 1.09e+007 ma 26906 G13H2"-H1' 2.670 6.200 2270.26 5271.76 2.33e+007 ga 780183 G13H2"-H8 2.671 7.583 2271.11 6447.70 1.51e+007 ga 509483 G13H2'-H1' 2.514 6.200 2137.61 5271.76 1.67e+007 ga 433150 G13H2'-H8 2.519 7.581 2141.87 6446.00 6.00e+006 ma 944321 G13H3'-H1' 4.848 6.199 4122.18 5270.91 7.12e+006 ma 181230 G13H3'-H8 4.843 7.583 4117.93 6447.70 4.60e+006 ga 186782 G13H3'-A14H8 4.842 8.192 4117.08 6965.53 3.35e+005 ga -34272 G13H4'-H1' 4.113 6.198 3497.22 5270.06 7.10e+006 ga 265623 G13H4'-H8 4.116 7.585 3499.77 6449.40 1.08e+006 ma 90455 G13H4'-A14H4' 4.122 4.369 3504.87 3714.89 4.84e+006 ga 190637 G13H5"-G12H1' 3.643 6.086 3097.58 5174.83 1.07e+007 ga 92199 G13H5"-G12H8 3.650 7.647 3103.54 6502.12 2.37e+006 ga -4893 G13H5"-H1' 3.643 6.198 3097.58 5270.06 1.07e+006 ga 38539 G13H5"-H4' 3.643 4.113 3097.58 3497.22 2.04e+006 ma 597691 G13H5"-H8 3.638 7.582 3093.33 6446.85 5.00e+006 ma 66425 G13H5"-A14H1' 3.646 6.045 3100.14 5139.97 3.69e+005 ma 9285 G13H5"-A14H2 3.645 8.034 3099.29 6831.18 5.32e+005 ga 10982 G13H5"-A14H8 3.642 8.193 3096.73 6966.38 8.30e+005 ga 33839 G13H5'-G12H1 3.723 11.393 3165.61 9687.29 2.00e+005 ma -4521 G13H5'-G12H1' 3.728 6.086 3169.86 5174.83 3.00e+006 ma 164673 G13H5'-G12H8 3.736 7.648 3176.66 6502.97 1.28e+006 ga 8218 G13H5'-H1' 3.729 6.197 3170.71 5269.21 1.05e+006 ga 34691 G13H5'-H4' 3.726 4.114 3168.16 3498.07 2.01e+006 ma 558497 G13H5'-H8 3.729 7.582 3170.71 6446.85 5.00e+006 ma 76381 G13H5'-A14H1' 3.729 6.043 3170.71 5138.27 3.63e+005 ma 1512 G13H5'-A14H2 3.728 8.034 3169.86 6831.18 5.21e+005 ga 8616 G13H5'-A14H8 3.728 8.192 3169.86 6965.53 6.21e+005 ga 22520 G13H8-G12H1 7.583 11.394 6447.70 9688.14 2.00e+006 ma 11330 G13H8-G32H1 7.579 11.482 6444.30 9762.96 6.00e+006 ma 53359 A14H1'-H2 6.051 8.033 5145.07 6830.33 4.71e+005 ga 24051 A14H1'-H8 6.043 8.192 5138.27 6965.53 5.75e+006 ga 295714 A14H1'-A15H8 6.041 8.138 5136.57 6919.61 3.72e+006 ga 75852 A14H2-A15H2 8.041 7.863 6837.13 6685.78 2.41e+005 ma 49632 A14H2"-H1' 2.631 6.043 2237.10 5138.27 3.63e+007 ma 810609 A14H2"-H5"/5' 2.638 4.110 2243.05 3494.67 1.32e+006 ma 180395 A14H2"-H8 2.633 8.192 2238.80 6965.53 7.77e+006 ga 349747 A14H2'-H1' 2.569 6.042 2184.38 5137.42 3.64e+007 ma 404832 A14H2'-H5"/5' 2.567 4.114 2182.68 3498.07 1.72e+006 ma 337294 A14H2'-H8 2.564 8.192 2180.13 6965.53 1.38e+007 ga 692856 A14H3'-H1' 4.962 6.044 4219.11 5139.12 1.04e+007 ma 228103 A14H3'-H8 4.961 8.192 4218.26 6965.53 3.02e+006 ga 141518 A14H4'-H1' 4.368 6.044 3714.04 5139.12 4.03e+006 ma 374137 A14H4'-H8 4.367 8.193 3713.19 6966.38 1.30e+006 ga 34615 A14H5"/5'-H1' 4.114 6.043 3498.07 5138.27 1.96e+006 ma 269645 A14H5"/5'-H2 4.104 8.033 3489.57 6830.33 3.30e+005 ma 52029 A14H5"/5'-H8 4.111 8.192 3495.52 6965.53 1.01e+007 ga 222984 A15H1'-H8 5.944 8.138 5054.09 6919.61 6.71e+006 ma 256351 A15H1'-G16H1' 5.945 5.427 5054.94 4614.49 3.66e+005 ma 27215 A15H1'-G16H8 5.942 7.789 5052.39 6622.86 1.10e+006 ma 77288 A15H2"-H1' 2.587 5.944 2199.68 5054.09 2.79e+007 ga 795567 A15H2"-H3' 2.586 4.995 2198.83 4247.17 6.00e+006 ma 85442 A15H2"-H5"/5' 2.585 4.094 2197.98 3481.06 1.39e+006 ma 379972 A15H2"-H8 2.581 8.139 2194.58 6920.46 2.00e+007 ma 1351880 A15H2"-G16H1' 2.583 5.425 2196.28 4612.79 6.86e+004 ga -12147 A15H2"-G16H8 2.582 7.788 2195.43 6622.01 1.97e+007 ga 348778 A15H2'-H1' 2.522 5.942 2144.42 5052.39 1.17e+007 ma 936884 A15H2'-H3' 2.524 4.995 2146.12 4247.17 6.00e+006 ma 47186 A15H2'-H5"/5' 2.520 4.095 2142.72 3481.91 1.54e+006 ma 312342 A15H2'-H8 2.522 8.139 2144.42 6920.46 2.00e+007 ma 1425310 A15H3'-H1' 4.994 5.942 4246.32 5052.39 9.61e+006 ma 174787 A15H3'-H8 4.991 8.138 4243.77 6919.61 5.11e+006 ga 207042 A15H3'-G16H8 4.993 7.790 4245.47 6623.71 1.11e+005 ma 106305 A15H4'-H1' 4.364 5.944 3710.64 5054.09 1.80e+006 ma 283385 A15H4'-H8 4.364 8.138 3710.64 6919.61 1.00e+006 ma 67620 A15H5"/5'-H1' 4.097 5.940 3483.61 5050.69 1.81e+006 ma 560802 A15H8-G16H8 8.141 7.788 6922.16 6622.01 1.00e+006 ma 46752 G16H1'-A15H2 5.423 7.864 4611.09 6686.63 8.02e+005 ga 19522 G16H1'-H8 5.426 7.790 4613.64 6623.71 5.27e+006 ga 299045 G16H1'-A17H2 5.419 7.976 4607.69 6781.87 1.00e+005 ma 8898 G16H1'-A17H8 5.426 8.082 4613.64 6872.00 2.24e+006 ga 105469 G16H2'/2"-H1' 2.386 5.425 2028.78 4612.79 1.96e+007 ga 804129 G16H2'/2"-H4' 2.392 4.227 2033.88 3594.15 5.13e+006 ga 123757 G16H2'/2"-H5' 2.394 4.096 2035.58 3482.76 1.83e+006 ma 313490 G16H2'/2"-H8 2.392 7.790 2033.88 6623.71 4.24e+007 ga 2315626 G16H3'-H1' 4.921 5.426 4184.25 4613.64 1.10e+006 ga 82799 G16H3'-H8 4.921 7.792 4184.25 6625.41 4.96e+006 ga 303353 G16H4'-H1' 4.228 5.426 3595.00 4613.64 2.53e+006 ga 209263 G16H4'-H8 4.235 7.790 3600.95 6623.71 2.00e+006 ma 122272 G16H5"-H1' 4.046 5.426 3440.25 4613.64 1.66e+006 ga 97049 G16H5"-H4' 4.049 4.228 3442.80 3595.00 3.39e+007 ga 1019202 G16H5"-H8 4.048 7.790 3441.95 6623.71 1.10e+006 ga 179876 G16H5'-H1' 4.095 5.426 3481.91 4613.64 1.07e+006 ga 64884 G16H5'-H4' 4.099 4.227 3485.31 3594.15 7.70e+007 ga 892696 G16H5'-H8 4.096 7.791 3482.76 6624.56 2.00e+006 ma 103045 A17H1'-G16H1' 6.011 5.426 5111.06 4613.64 1.98e+006 ma 15256 A17H1'-H2 6.011 7.972 5111.06 6778.46 7.43e+005 ma 58156 A17H1'-H8 6.014 8.084 5113.61 6873.70 5.03e+006 ga 224005 A17H1'-G18H8 6.015 7.777 5114.46 6612.66 1.50e+005 ma 103962 A17H2"-H1' 2.540 6.011 2159.72 5111.06 3.61e+007 ma 730739 A17H2"-H3' 2.535 4.942 2155.47 4202.10 2.89e+006 ga 43177 A17H2"-H8 2.538 8.083 2158.02 6872.85 4.45e+007 ma 703751 A17H2'-H1' 2.455 6.014 2087.45 5113.61 7.00e+006 ma 346120 A17H2'-H3' 2.464 4.945 2095.10 4204.65 6.00e+006 ma 7329 A17H2'-H8 2.460 8.078 2091.70 6868.59 2.26e+007 ma 1363347 A17H3'-H1' 4.939 6.007 4199.55 5107.66 1.07e+006 ma 273389 A17H3'-H8 4.943 8.081 4202.95 6871.14 8.03e+006 ga 265889 A17H4'-H1' 4.262 6.010 3623.91 5110.21 2.15e+006 ma 188879 A17H4'-H8 4.269 8.084 3629.86 6873.70 5.00e+006 ma 350445 A17H5"-H1' 4.063 6.010 3454.70 5110.21 1.61e+006 ma 330078 A17H5"-H8 4.064 8.083 3455.55 6872.85 1.87e+006 ma 37626 A17H5'-H1' 4.110 6.010 3494.67 5110.21 1.76e+006 ma 56101 A17H5'-H8 4.092 8.082 3479.36 6872.00 2.18e+006 ma 51971 A17H8-G16H8 8.078 7.785 6868.59 6619.46 1.03e+006 ma 57355 G18H1'-A17H2 5.703 7.978 4849.17 6783.57 1.46e+005 ma 22672 G18H1'-H8 5.701 7.777 4847.47 6612.66 7.50e+006 ga 339833 G18H2'/H2"-H1' 2.412 5.699 2050.88 4845.77 1.31e+007 ma 1072738 G18H2'/H2"-H3' 2.402 4.916 2042.38 4180.00 1.47e+007 ma -19292 G18H2'/H2"-H4' 2.412 4.264 2050.88 3625.61 4.00e+006 ga 100995 G18H2'/H2"-H5'/5" 2.414 4.051 2052.59 3444.50 2.06e+006 ma 484812 G18H2'/H2"-H8 2.410 7.778 2049.18 6613.51 3.98e+007 ma 2433271 G18H3'-H1' 4.908 5.699 4173.19 4845.77 1.91e+006 ga 112035 G18H3'-H8 4.906 7.778 4171.49 6613.51 5.85e+006 ma 395195 G18H4'-H1' 4.267 5.699 3628.16 4845.77 4.74e+006 ga 243041 G18H4'-H8 4.264 7.777 3625.61 6612.66 2.00e+006 ma 113588 G18H5'/5"-H1' 4.047 5.700 3441.10 4846.62 8.19e+006 ga 350847 G18H5'/5"-H4' 4.062 4.265 3453.85 3626.46 3.55e+007 ga 1020050 G18H5'/5"-H8 4.049 7.778 3442.80 6613.51 2.96e+006 ma 223505 G19H1'-H8 5.773 7.783 4908.69 6617.76 2.00e+006 ma 336894 G19H1'-G20H1' 5.778 5.600 4912.94 4761.59 9.07e+005 ma 37723 G19H1'-G20H8 5.770 7.818 4906.14 6647.52 9.19e+004 ma 103875 G19H1'-A21H8 5.775 8.113 4910.39 6898.35 2.16e+005 ma 7967 G19H2"-H1' 2.488 5.770 2115.51 4906.14 2.73e+007 ma 385060 G19H2"-H4' 2.483 4.227 2111.26 3594.15 1.76e+006 ma 43314 G19H2"-H8 2.487 7.783 2114.66 6617.76 5.23e+006 ma 1375286 G19H2'-G18H8 2.412 7.786 2050.88 6620.31 2.97e+007 ma 2387568 G19H2'-H1' 2.414 5.770 2052.59 4906.14 1.83e+007 ga 677032 G19H2'-H2" 2.410 2.497 2049.18 2123.16 8.00e+007 ma 2335681 G19H2'-H4' 2.417 4.229 2055.14 3595.85 1.40e+006 ga 86506 G19H3'-H1' 4.881 5.771 4150.24 4906.99 7.94e+005 ga 63686 G19H4'-H1' 4.228 5.771 3595.00 4906.99 3.63e+006 ga 194172 G19H5"-H1' 3.977 5.769 3381.58 4905.29 3.00e+006 ma 73418 G19H5"-G20H1' 3.973 5.604 3378.18 4764.99 1.00e+006 ma 233160 G19H5'-H1' 4.041 5.768 3436.00 4904.44 1.00e+006 ma 56232 G20H1'-H8 5.604 7.817 4764.99 6646.67 4.32e+006 ga 245514 G20H1'-A21H2 5.606 7.939 4766.69 6750.40 3.70e+005 ma 13853 G20H1'-A21H8 5.605 8.113 4765.84 6898.35 1.41e+006 ga 71034 G20H2'/2"-G19H5" 2.419 3.973 2056.84 3378.18 1.98e+006 ma 132812 G20H2'/2"-H1' 2.412 5.607 2050.88 4767.54 1.72e+007 ma 670009 G20H2'/2"-H5" 2.421 3.861 2058.54 3282.95 6.85e+006 ga 60136 G20H2'/2"-H5' 2.421 3.916 2058.54 3329.71 4.20e+006 ga 108157 G20H2'/2"-H8 2.425 7.818 2061.94 6647.52 1.00e+007 ma 1254381 G20H3'-H8 4.826 7.817 4103.47 6646.67 2.93e+006 ga 94284 G20H4'-H8 3.974 7.815 3379.03 6644.97 2.26e+006 ga 47971 G20H5"-G19H1' 3.861 5.770 3282.95 4906.14 4.07e+006 ga 174937 G20H5"-H1' 3.854 5.605 3276.99 4765.84 1.60e+006 ga 48675 G20H5"-H8 3.862 7.817 3283.80 6646.67 5.00e+006 ma 49972 G20H5"-A21H8 3.860 8.112 3282.10 6897.50 5.00e+005 ma 15404 G20H5'-G19H1' 3.919 5.771 3332.26 4906.99 7.00e+006 ma 91450 G20H5'-H1' 3.909 5.604 3323.76 4764.99 3.43e+006 ga 131946 G20H5'-H8 3.920 7.817 3333.11 6646.67 4.90e+006 ga 64297 A21H1'-G20H1' 5.933 5.604 5044.73 4764.99 2.60e+006 ma 20145 A21H1'-H8 5.930 8.115 5042.18 6900.05 9.43e+005 ma 292248 A21H2"-H1' 2.595 5.932 2206.49 5043.88 3.14e+007 ma 473409 A21H2"-H8 2.593 8.112 2204.79 6897.50 1.00e+007 ma 414686 A21H2'-H1' 2.534 5.930 2154.62 5042.18 3.58e+007 ma 1070639 A21H2'-H2" 2.522 2.590 2144.42 2202.24 4.75e+007 ma 2520899 A21H2'-H5' 2.518 3.960 2141.02 3367.12 2.53e+006 ga 58652 A21H2'-H8 2.525 8.113 2146.97 6898.35 2.36e+007 ma 1502737 A21H3'-H1' 4.900 5.931 4166.39 5043.03 1.12e+006 ma 143209 A21H3'-H8 4.895 8.113 4162.14 6898.35 1.18e+006 ma 192009 A21H5"-H8 3.910 8.114 3324.61 6899.20 1.18e+006 ga 58152 A21H5'-H8 3.965 8.114 3371.38 6899.20 2.34e+006 ga 85655 A22H1'-H8 5.973 8.130 5078.75 6912.81 4.20e+006 ma 295994 A22H1'-G23H1' 5.976 5.642 5081.30 4797.30 5.04e+005 ma 30016 A22H1'-G23H8 5.977 7.726 5082.15 6569.29 1.13e+006 ma 84692 A22H2"-H1' 2.591 5.964 2203.09 5071.09 3.84e+007 ma 489915 A22H2"-H8 2.583 8.132 2196.28 6914.51 1.00e+007 ma 1463469 A22H2'-H1' 2.544 5.964 2163.12 5071.09 3.74e+007 ma 585144 A22H2'-H8 2.532 8.129 2152.92 6911.96 1.88e+007 ga 1620152 A22H3'-H1' 4.935 5.966 4196.15 5072.79 1.08e+006 ma 190872 A22H3'-H8 4.945 8.129 4204.65 6911.96 1.24e+006 ma 216385 A22H5"/5'-H1' 4.089 5.965 3476.81 5071.94 1.99e+006 ma 339006 A22H5"/5'-H8 4.092 8.131 3479.36 6913.66 5.10e+006 ga 111588 A22H8-G23H8 8.127 7.730 6910.26 6572.70 3.10e+005 ga 22515 G23H1'-H8 5.643 7.729 4798.15 6571.84 7.83e+006 ga 388377 G23H1'-A24H8 5.643 8.203 4798.15 6974.88 9.79e+005 ga 50178 G23H2'/H2"-H1' 2.409 5.641 2048.33 4796.45 1.24e+007 ma 860357 G23H2'/H2"-H4' 2.410 4.272 2049.18 3632.41 1.58e+006 ga 111546 G23H2'/H2"-H5" 2.412 4.080 2050.88 3469.16 1.75e+006 ma 294012 G23H2'/H2"-H5' 2.409 4.167 2048.33 3543.13 1.90e+006 ma 87692 G23H2'/H2"-H8 2.413 7.730 2051.74 6572.70 5.24e+006 ma 1479392 G23H2'/H2"-A24H8 2.412 8.204 2050.88 6975.73 3.53e+006 ga 122241 G23H3'-H1' 4.920 5.641 4183.40 4796.45 1.31e+006 ga 90014 G23H3'-H8 4.918 7.728 4181.70 6570.99 1.02e+007 ga 261875 G23H3'-A24H8 4.920 8.204 4183.40 6975.73 9.01e+005 ga 25534 G23H4'-H1' 4.272 5.641 3632.41 4796.45 4.25e+006 ga 232106 G23H4'-H8 4.269 7.730 3629.86 6572.70 1.25e+006 ma 96003 G23H5"-H1' 4.080 5.641 3469.16 4796.45 8.80e+005 ga 3565 G23H5"-H8 4.079 7.728 3468.31 6570.99 1.25e+006 ma 106202 G23H5'-H1' 4.169 5.641 3544.83 4796.45 2.77e+006 ga 146892 G23H5'-H8 4.170 7.730 3545.68 6572.70 1.29e+006 ma 59732 A24H1'-G23H1' 6.211 5.640 5281.11 4795.60 4.61e+005 ma 19457 A24H1'-H8 6.214 8.203 5283.66 6974.88 5.24e+006 ga 275555 A24H2"-G11H1 2.873 11.775 2442.87 10012.09 1.53e+005 ga -7575 A24H2"-A14H2 2.867 8.033 2437.76 6830.33 5.47e+006 ga 48778 A24H2"-H8 2.874 8.204 2443.72 6975.73 1.30e+007 ma 848019 A24H2'-G11H1 2.786 11.773 2368.89 10010.39 1.19e+005 ga -13972 A24H2'-A14H2 2.783 8.034 2366.34 6831.18 5.87e+006 ga 162459 A24H2'-H1' 2.787 6.214 2369.74 5283.66 1.69e+007 ga 698878 A24H2'-H2" 2.788 2.877 2370.59 2446.27 4.32e+007 ga 1685301 A24H2'-H3' 2.792 5.097 2373.99 4333.90 1.00e+007 ma 140142 A24H2'-H8 2.789 8.203 2371.44 6974.88 8.13e+006 ga 398605 A24H2'-G25H5'/5" 2.785 4.239 2368.04 3604.35 2.00e+006 ma 79130 A24H3'-H1' 5.103 6.211 4339.00 5281.11 2.04e+006 ma 166745 A24H3'-H8 5.097 8.203 4333.90 6974.88 4.63e+006 ga 250253 A24H4'-A14H2 4.455 8.033 3788.02 6830.33 6.63e+005 ma 30097 A24H4'-G23H1' 4.451 5.641 3784.61 4796.45 8.61e+005 ga 33975 A24H4'-H3' 4.453 5.097 3786.31 4333.90 8.72e+007 ga 137710 A24H4'-H8 4.457 8.203 3789.72 6974.88 9.33e+005 ga 46498 A24H5"-H1' 4.157 6.213 3534.63 5282.81 1.54e+006 ma 107557 A24H5"-H3' 4.157 5.097 3534.63 4333.90 1.00e+007 ma 286694 A24H5"-H8 4.161 8.203 3538.03 6974.88 1.48e+006 ma 103195 A24H5'-H1' 4.264 6.214 3625.61 5283.66 4.79e+006 ga 178212 A24H5'-H3' 4.269 5.099 3629.86 4335.60 1.01e+006 ma 91410 A24H5'-H8 4.267 8.203 3628.16 6974.88 1.40e+006 ga 25598 A24H8-G11H1 8.203 11.775 6974.88 10012.09 4.37e+005 ga 5100 A24H8-G23H8 8.202 7.730 6974.03 6572.70 6.79e+005 ga 26127 G25H1-G2H1 11.403 11.737 9695.79 9979.78 5.09e+005 ga 28235 G25H1'-G11H1 6.090 11.775 5178.23 10012.09 2.45e+005 ga -5311 G25H1'-H8 6.108 8.084 5193.53 6873.70 5.28e+006 ga 185288 G25H1'-G26H8 6.108 7.847 5193.53 6672.18 6.50e+006 ga 288461 G25H1'-G27H8 6.115 7.290 5199.49 6198.57 4.39e+005 ga -6454 G25H2"-G12H1 3.000 11.393 2550.85 9687.29 5.69e+005 ga 17723 G25H2"-H1' 3.000 6.108 2550.85 5193.53 1.44e+007 ga 621201 G25H2"-H3' 3.001 5.104 2551.70 4339.85 3.89e+006 ga 175666 G25H2"-H5'/5" 2.999 4.244 2550.00 3608.61 1.24e+006 ga 34932 G25H2"-H8 2.992 8.083 2544.05 6872.85 9.00e+006 ma 481697 G25H2"-G26H8 3.000 7.847 2550.85 6672.18 1.19e+007 ga 574925 G25H2"-G27H8 2.993 7.288 2544.90 6196.87 4.60e+005 ga 1051 G25H2'-G12H1 2.716 11.394 2309.37 9688.14 2.00e+006 ma 9382 G25H2'-H1' 2.721 6.106 2313.62 5191.83 2.76e+007 ma 451685 G25H2'-H2" 2.720 3.002 2312.77 2552.55 3.20e+007 ga 1058396 G25H2'-H3' 2.724 5.106 2316.17 4341.55 4.87e+006 ga 293116 G25H2'-H5'/5" 2.716 4.244 2309.37 3608.61 4.15e+006 ma 123177 G25H2'-H8 2.720 8.083 2312.77 6872.85 1.96e+007 ga 849454 G25H3'-H1' 5.103 6.108 4339.00 5193.53 8.63e+006 ma 208165 G25H3'-H8 5.097 8.086 4333.90 6875.40 1.38e+007 ma 321056 G25H4'-H1' 4.528 6.108 3850.09 5193.53 1.98e+006 ma 351295 G25H4'-H8 4.534 8.088 3855.19 6877.10 3.40e+006 ma 184563 G25H5'/5"-H1' 4.247 6.102 3611.16 5188.43 1.98e+006 ma 181589 G25H5'/5"-H3' 4.246 5.103 3610.31 4339.00 4.68e+006 ma 239839 G25H5'/5"-H8 4.250 8.085 3613.71 6874.55 5.36e+006 ma 456445 G25H8-G11H1 8.084 11.774 6873.70 10011.24 1.74e+006 ma 2195 G25H8-G12H1 8.087 11.393 6876.25 9687.29 1.03e+006 ga 23426 G26H1-G2H1 11.558 11.736 9827.58 9978.93 5.85e+005 ga 20881 G26H1'-G12H1 5.970 11.399 5076.20 9692.39 6.00e+005 ma 35777 G26H1'-G13H1 5.974 11.228 5079.60 9546.99 8.02e+005 ga 402 G26H1'-H1 5.970 11.557 5076.20 9826.73 3.00e+005 ma 13659 G26H1'-H8 5.963 7.847 5070.24 6672.18 7.21e+006 ga 188998 G26H1'-G27H8 5.968 7.289 5074.49 6197.72 8.57e+006 ga 201774 G26H2"-G13H1 2.718 11.222 2311.07 9541.89 2.00e+006 ma -1001 G26H2"-H1' 2.715 5.967 2308.52 5073.64 8.77e+006 ga 624980 G26H2"-H3' 2.718 5.092 2311.07 4329.65 5.00e+006 ma 293502 G26H2"-H8 2.716 7.847 2309.37 6672.18 8.64e+006 ga 736565 G26H2"-G27H8 2.716 7.289 2309.37 6197.72 5.44e+006 ga 542087 G26H2'-G13H1 2.652 11.223 2254.95 9542.74 2.00e+006 ma -8661 G26H2'-H1' 2.650 5.968 2253.25 5074.49 5.00e+006 ma 435347 G26H2'-H3' 2.652 5.095 2254.95 4332.20 5.96e+006 ga 206503 G26H2'-H8 2.648 7.847 2251.55 6672.18 8.02e+006 ma 752185 G26H2'-G27H8 2.648 7.289 2251.55 6197.72 3.43e+006 ga 313833 G26H3'-G12H1 5.100 11.395 4336.45 9688.99 5.28e+005 ga 7713 G26H3'-G13H1 5.093 11.225 4330.50 9544.44 3.23e+005 ga -2787 G26H3'-H1' 5.094 5.967 4331.35 5073.64 4.67e+006 ma 197606 G26H3'-H8 5.098 7.847 4334.75 6672.18 4.00e+006 ma 270202 G26H3'-G27H8 5.095 7.289 4332.20 6197.72 8.96e+005 ga 101856 G26H4'-G12H1 4.524 11.398 3846.68 9691.54 1.00e+005 ma -8740 G26H4'-G13H1 4.515 11.224 3839.03 9543.59 4.26e+005 ga -9154 G26H4'-H1' 4.515 5.968 3839.03 5074.49 3.90e+006 ga 361295 G26H4'-H8 4.521 7.848 3844.13 6673.03 1.65e+006 ga 76865 G26H5"/5'-H1' 4.339 5.974 3689.38 5079.60 2.05e+006 ma 386597 G26H5"/5'-H3' 4.330 5.095 3681.73 4332.20 5.21e+006 ga 179140 G26H5"/5'-H8 4.326 7.847 3678.33 6672.18 1.20e+006 ma 140673 G26H5"/5'-G27H8 4.336 7.289 3686.83 6197.72 1.03e+005 ma 1984 G26H8-G12H1 7.848 11.393 6673.03 9687.29 1.65e+006 ga 50278 G26H8-G13H1 7.844 11.223 6669.63 9542.74 8.03e+006 ga 56079 G26H8-G25H8 7.841 8.085 6667.08 6874.55 8.21e+005 ga 37238 G27H1-G13H1 10.854 11.223 9228.98 9542.74 6.00e+005 ma 42198 G27H1-G26H1 10.851 11.555 9226.43 9825.03 7.00e+005 ma 116550 G27H1'-H1 6.012 10.850 5111.91 9225.58 5.32e+005 ma 5336 G27H1'-H8 6.016 7.288 5115.31 6196.87 9.11e+006 ga 177242 G27H1'-G28H1' 6.015 5.518 5114.46 4691.87 5.95e+005 ma 29184 G27H1'-G28H8 6.013 7.943 5112.76 6753.81 7.70e+005 ma 77152 G27H2"-G26H2" 2.142 2.715 1821.31 2308.52 1.00e+006 ma 38849 G27H2"-H1' 2.139 6.016 1818.76 5115.31 5.47e+006 ga 476053 G27H2"-H3' 2.141 4.934 1820.46 4195.30 3.74e+006 ma 26501 G27H2"-H5'/5" 2.140 4.225 1819.61 3592.45 3.70e+006 ga 68089 G27H2"-H8 2.139 7.289 1818.76 6197.72 4.54e+006 ga 462002 G27H2"-G28H5'/5" 2.140 4.177 1819.61 3551.64 3.24e+006 ga 59795 G27H2"-G28H8 2.140 7.939 1819.61 6750.40 2.93e+006 ga 224491 G27H2'-H1' 1.643 6.016 1397.02 5115.31 3.59e+006 ga 292752 G27H2'-H2" 1.642 2.139 1396.17 1818.76 2.63e+007 ga 889559 G27H2'-H5'/5" 1.646 4.223 1399.57 3590.75 1.32e+007 ga 58020 G27H2'-H8 1.642 7.289 1396.17 6197.72 9.00e+006 ma 668251 G27H2'-G28H1' 1.651 5.509 1403.82 4684.21 1.26e+006 ga 29437 G27H2'-G28H2" 1.644 2.805 1397.87 2385.05 1.11e+006 ga 24219 G27H2'-G28H2' 1.648 2.567 1401.27 2182.68 1.00e+006 ma 27104 G27H2'-G28H5'/5" 1.643 4.177 1397.02 3551.64 1.57e+006 ma 37781 G27H2'-G28H8 1.642 7.938 1396.17 6749.55 1.66e+006 ga 123623 G27H21/22-G3H8 6.869 7.518 5840.60 6392.44 1.00e+006 ma 42345 G27H21/22-G4H8 6.870 7.643 5841.45 6498.72 2.82e+006 ga 76360 G27H21/22-G26H1 6.883 11.558 5852.50 9827.58 4.43e+006 ga 41017 G27H21/22-H1 6.874 10.850 5844.85 9225.58 2.21e+007 ga 312131 G27H21/22-A30H2 6.870 7.490 5841.45 6368.63 1.74e+005 ma 27984 G27H3'-H1' 4.939 6.017 4199.55 5116.16 1.52e+006 ma 287049 G27H3'-H8 4.934 7.289 4195.30 6197.72 1.49e+006 ga 178818 G27H3'-G28H8 4.931 7.941 4192.75 6752.11 1.61e+005 ma 108450 G27H4'-H1' 4.485 6.016 3813.52 5115.31 1.01e+006 ma 262630 G27H4'-H8 4.484 7.289 3812.67 6197.72 5.50e+005 ga 37644 G27H5'/5"-H1' 4.225 6.016 3592.45 5115.31 1.18e+006 ma 584812 G27H5'/5"-H8 4.222 7.289 3589.90 6197.72 1.36e+007 ma 75044 G27H8-G13H1 7.291 11.223 6199.42 9542.74 4.00e+006 ma 75081 G27H8-G26H8 7.289 7.847 6197.72 6672.18 7.75e+005 ga 69654 G27H8-G28H1 7.289 10.999 6197.72 9352.27 2.00e+005 ma 19478 G27H8-G28H8 7.287 7.939 6196.02 6750.40 4.22e+005 ga 35707 G28H1-G13H1 10.999 11.222 9352.27 9541.89 7.21e+005 ga 48422 G28H1'-G27H1 5.520 10.849 4693.57 9224.73 4.00e+005 ma 11491 G28H1'-G27H8 5.523 7.288 4696.12 6196.87 5.16e+005 ga 10277 G28H1'-H1 5.525 11.000 4697.82 9353.12 5.99e+005 ga 4731 G28H1'-H21/22 5.520 8.607 4693.57 7318.39 6.45e+005 ga 8394 G28H1'-H8 5.518 7.939 4691.87 6750.40 3.15e+006 ga 167707 G28H1'-G29H8 5.518 7.575 4691.87 6440.90 1.90e+008 ma 307197 G28H1'-A30H2 5.512 7.494 4686.77 6372.03 2.16e+006 ga 42304 G28H2"-H1' 2.805 5.519 2385.05 4692.72 6.57e+006 ga 282219 G28H2"-H3' 2.804 4.988 2384.20 4241.22 6.00e+006 ma 49806 G28H2"-H5'/5" 2.796 4.172 2377.39 3547.38 5.88e+006 ga 108291 G28H2"-H8 2.804 7.940 2384.20 6751.25 1.00e+007 ma 1152724 G28H2"-G29H5'/5" 2.811 3.579 2390.15 3043.17 2.85e+005 ga -3525 G28H2"-G29H8 2.806 7.577 2385.90 6442.60 6.27e+006 ga 297852 G28H2'-H1' 2.568 5.518 2183.53 4691.87 9.84e+006 ga 444679 G28H2'-H2" 2.570 2.805 2185.23 2385.05 3.78e+007 ga 952222 G28H2'-H3' 2.568 4.984 2183.53 4237.82 6.67e+006 ga 94595 G28H2'-H8 2.569 7.939 2184.38 6750.40 8.00e+006 ma 769809 G28H2'-G29H8 2.568 7.576 2183.53 6441.75 9.39e+006 ga 624055 G28H21/22-G4H1 8.611 10.889 7321.80 9258.74 2.66e+005 ma 15097 G28H21/22-G13H1 8.602 11.224 7314.14 9543.59 5.00e+006 ma 92578 G28H21/22-G27H1 8.603 10.850 7314.99 9225.58 6.72e+005 ga 23667 G28H21/22-H1 8.603 10.998 7314.99 9351.42 9.69e+006 ga 232997 G28H3'-H1' 4.983 5.518 4236.97 4691.87 2.45e+006 ga 135611 G28H3'-H8 4.986 7.939 4239.52 6750.40 1.00e+006 ma 331675 G28H3'-G29H8 4.981 7.581 4235.26 6446.00 1.15e+006 ma 213530 G28H4'-H8 4.225 7.941 3592.45 6752.11 1.11e+006 ma 85140 G28H5'/5"-H1' 4.181 5.515 3555.04 4689.32 5.21e+006 ga 46221 G28H5'/5"-H3' 4.178 4.988 3552.49 4241.22 2.15e+006 ma 38567 G28H5'/5"-H8 4.169 7.942 3544.83 6752.96 8.86e+006 ga 131669 G29H1'-H8 5.217 7.575 4435.93 6440.90 4.14e+006 ga 239260 G29H1'-A30H8 5.222 7.487 4440.18 6366.08 2.22e+006 ga 121161 G29H1'-G31H8 5.218 7.194 4436.78 6116.94 1.83e+005 ga -2427 G29H2"-G28H1' 2.143 5.518 1822.16 4691.87 1.80e+006 ga 58618 G29H2"-G28H2" 2.141 2.806 1820.46 2385.90 8.00e+005 ma 59747 G29H2"-G28H2' 2.148 2.569 1826.41 2184.38 2.18e+006 ga 69283 G29H2"-H1' 2.148 5.216 1826.41 4435.08 6.28e+006 ga 304571 G29H2"-H3' 2.149 4.384 1827.26 3727.65 1.15e+007 ma 39429 G29H2"-H4' 2.148 2.347 1826.41 1995.62 1.00e+006 ma 121481 G29H2"-H5'/5" 2.148 3.580 1826.41 3044.02 1.50e+006 ga 56962 G29H2"-H8 2.148 7.575 1826.41 6440.90 9.44e+006 ga 469183 G29H2"-A30H5" 2.148 3.102 1826.41 2637.58 1.13e+006 ga 51344 G29H2"-A30H5' 2.149 3.904 1827.26 3319.51 1.00e+006 ma 60468 G29H2"-A30H8 2.155 7.488 1832.36 6366.93 8.00e+005 ma 46037 G29H2'-G28H1' 1.986 5.513 1688.66 4687.62 2.73e+006 ga 56899 G29H2'-G28H2" 2.013 2.807 1711.62 2386.75 3.32e+005 ga 6960 G29H2'-G28H2' 1.996 2.569 1697.17 2184.38 5.41e+006 ga 33306 G29H2'-H1' 1.995 5.217 1696.32 4435.93 3.48e+006 ga 147530 G29H2'-H2" 1.995 2.149 1696.32 1827.26 3.89e+007 ga 1251761 G29H2'-H3' 1.995 4.384 1696.32 3727.65 1.37e+007 ma 55175 G29H2'-H4' 1.995 2.343 1696.32 1992.22 1.07e+006 ma 81826 G29H2'-H5'/5" 1.995 3.579 1696.32 3043.17 2.67e+006 ga 80173 G29H2'-H8 1.994 7.575 1695.47 6440.90 1.59e+007 ga 778144 G29H2'-A30H5" 1.995 3.102 1696.32 2637.58 4.94e+005 ga 17874 G29H2'-A30H5' 1.997 3.904 1698.02 3319.51 1.30e+006 ga 25494 G29H2'-A30H8 1.993 7.487 1694.62 6366.08 8.00e+005 ma 39348 G29H3'-H1' 4.386 5.215 3729.35 4434.23 4.15e+006 ma 428054 G29H3'-H8 4.382 7.576 3725.94 6441.75 5.90e+006 ga 232400 G29H4'-H1' 2.345 5.217 1993.92 4435.93 2.10e+006 ma 71771 G29H4'-H3' 2.346 4.383 1994.77 3726.79 3.57e+006 ma 15265 G29H4'-H5'/5" 2.344 3.579 1993.07 3043.17 1.82e+007 ga 694193 G29H4'-A30H2 2.347 7.488 1995.62 6366.93 4.83e+006 ga 137602 G29H4'-A30H4' 2.331 4.073 1982.01 3463.21 1.82e+006 ma 221363 G29H4'-A30H5" 2.343 3.102 1992.22 2637.58 1.64e+005 ga 17895 G29H4'-A30H5' 2.345 3.906 1993.92 3321.21 2.00e+005 ma 38241 G29H5'/5"-G28H1' 3.584 5.518 3047.42 4691.87 5.22e+006 ga 201740 G29H5'/5"-G28H21/22 3.581 8.613 3044.87 7323.50 2.24e+005 ga -5282 G29H5'/5"-G28H8 3.586 7.941 3049.12 6752.11 6.96e+005 ga 9547 G29H5'/5"-H1' 3.582 5.216 3045.72 4435.08 7.63e+006 ma 18398 G29H5'/5"-H3' 3.577 4.384 3041.47 3727.65 1.06e+006 ga 49968 G29H5'/5"-H8 3.582 7.575 3045.72 6440.90 6.51e+006 ga 116502 G29H5'/5"-A30H2 3.582 7.487 3045.72 6366.08 3.07e+006 ga 146054 G29H8-G28H8 7.573 7.939 6439.20 6750.40 1.64e+006 ga 52144 A30H1'-G3H1 5.809 11.237 4939.30 9554.64 5.74e+005 ga -562 A30H1'-G4H1 5.807 10.890 4937.60 9259.59 2.75e+006 ga 127957 A30H1'-G28H1' 5.800 5.516 4931.65 4690.17 1.39e+005 ma 33007 A30H1'-H8 5.805 7.485 4935.90 6364.38 5.06e+006 ga 235558 A30H1'-G31H8 5.807 7.195 4937.60 6117.79 7.47e+005 ga 20934 A30H2-G4H8 7.489 7.644 6367.78 6499.57 5.49e+006 ga 288224 A30H2"-G4H1 2.743 10.889 2332.33 9258.74 1.26e+006 ga 78644 A30H2"-H1' 2.743 5.805 2332.33 4935.90 1.41e+007 ga 623744 A30H2"-H4' 2.742 4.075 2331.48 3464.91 2.38e+006 ga 166564 A30H2"-H5" 2.753 3.105 2340.83 2640.13 1.03e+006 ga 30107 A30H2"-H5' 2.740 3.903 2329.78 3318.66 2.62e+006 ma 23200 A30H2"-H8 2.743 7.483 2332.33 6362.68 1.12e+007 ga 456413 A30H2"-G31H1' 2.752 5.585 2339.98 4748.84 2.18e+005 ma 21198 A30H2"-G31H5' 2.744 3.688 2333.18 3135.85 2.54e+006 ma 46312 A30H2"-G31H8 2.744 7.194 2333.18 6116.94 5.11e+006 ga 59405 A30H2'-G4H1 2.486 10.889 2113.81 9258.74 2.58e+006 ga 52332 A30H2'-H1' 2.485 5.806 2112.96 4936.75 2.61e+007 ma 722358 A30H2'-H2" 2.487 2.742 2114.66 2331.48 4.27e+007 ga 713729 A30H2'-H4' 2.487 4.076 2114.66 3465.76 1.64e+006 ma 287592 A30H2'-H5' 2.494 3.907 2120.61 3322.06 2.36e+006 ga 39088 A30H2'-H8 2.486 7.483 2113.81 6362.68 1.58e+007 ga 647588 A30H2'-G31H2" 2.491 2.674 2118.06 2273.66 9.83e+005 ma 2355660 A30H2'-G31H8 2.487 7.195 2114.66 6117.79 3.00e+006 ma 74885 A30H3'-G4H1 4.521 10.890 3844.13 9259.59 4.00e+005 ma 11429 A30H3'-G28H1 4.530 10.999 3851.79 9352.27 1.29e+005 ma 8079 A30H3'-H1' 4.510 5.806 3834.78 4936.75 1.19e+006 ma 90476 A30H3'-H8 4.518 7.483 3841.58 6362.68 1.54e+006 ma 739379 A30H3'-G31H8 4.518 7.195 3841.58 6117.79 6.36e+005 ga 75226 A30H3'-G32H1 4.520 11.481 3843.28 9762.11 2.67e+005 ga -6006 A30H4'-G4H1 4.075 10.890 3464.91 9259.59 7.07e+005 ga -62836 A30H4'-H1' 4.074 5.809 3464.06 4939.30 8.56e+005 ma 253605 A30H4'-H8 4.076 7.484 3465.76 6363.53 3.47e+006 ga 47416 A30H4'-G31H8 4.070 7.195 3460.66 6117.79 3.75e+005 ma -63652 A30H5"-G4H1 3.105 10.890 2640.13 9259.59 2.29e+005 ga 2470 A30H5"-G29H1' 3.101 5.216 2636.73 4435.08 3.32e+006 ga 106888 A30H5"-G29H8 3.100 7.576 2635.88 6441.75 1.12e+005 ma 24791 A30H5"-H1' 3.102 5.805 2637.58 4935.90 8.06e+005 ga 47422 A30H5"-H4' 3.102 4.073 2637.58 3463.21 5.49e+006 ga 292223 A30H5"-H5' 3.102 3.903 2637.58 3318.66 3.45e+007 ga 1551449 A30H5"-H8 3.102 7.483 2637.58 6362.68 3.48e+006 ga 158070 A30H5"-G31H8 3.104 7.194 2639.28 6116.94 3.32e+005 ga 16083 A30H5"-G32H8 3.107 7.762 2641.83 6599.90 1.01e+005 ma 13448 A30H5'-G4H1 3.901 10.889 3316.96 9258.74 1.87e+005 ga -11423 A30H5'-G29H1' 3.905 5.216 3320.36 4435.08 1.05e+006 ga 45858 A30H5'-H1' 3.908 5.803 3322.91 4934.20 1.19e+005 ma 53350 A30H5'-H4' 3.905 4.073 3320.36 3463.21 1.58e+007 ga 546555 A30H5'-H8 3.902 7.483 3317.81 6362.68 4.00e+006 ma 117914 A30H5'-G31H8 3.899 7.195 3315.26 6117.79 2.54e+005 ga 2134 A30H8-G4H1 7.485 10.889 6364.38 9258.74 1.83e+006 ga 68240 A30H8-G13H1 7.484 11.223 6363.53 9542.74 1.16e+006 ma 74204 A30H8-G28H1 7.483 10.997 6362.68 9350.57 1.61e+006 ga 17557 A30H8-G28H21/22 7.484 8.601 6363.53 7313.29 1.15e+006 ga 17605 G31H1'-G13H8 5.587 7.581 4750.54 6446.00 2.59e+006 ga 100431 G31H1'-A30H8 5.587 7.484 4750.54 6363.53 1.09e+005 ma 21705 G31H1'-H8 5.586 7.195 4749.69 6117.79 2.50e+006 ga 149408 G31H1'-G32H1 5.587 11.483 4750.54 9763.81 1.30e+006 ga 68126 G31H1'-G32H21/22 5.588 7.395 4751.39 6287.85 2.62e+007 ga 16955 G31H2"-H1' 2.675 5.586 2274.51 4749.69 1.15e+007 ga 541139 G31H2"-H8 2.676 7.195 2275.36 6117.79 5.22e+006 ga 38778 G31H2"-G32H1 2.674 11.483 2273.66 9763.81 3.46e+005 ga -22839 G31H2'-H1' 1.648 5.586 1401.27 4749.69 8.11e+006 ga 367714 G31H2'-H2" 1.648 2.674 1401.27 2273.66 3.57e+007 ga 1231032 G31H2'-H4' 1.651 4.135 1403.82 3515.92 1.31e+007 ga 69204 G31H2'-H5" 1.647 2.397 1400.42 2038.13 1.73e+006 ga 49631 G31H2'-H5' 1.652 3.689 1404.67 3136.70 2.24e+006 ga 61204 G31H2'-H8 1.649 7.195 1402.12 6117.79 1.85e+006 ga 87429 G31H2'-G32H1 1.648 11.482 1401.27 9762.96 2.36e+005 ga 2331 G31H3'-H8 4.645 7.194 3949.57 6116.94 2.72e+006 ga 299952 G31H4'-H1' 4.135 5.587 3515.92 4750.54 4.62e+006 ga 239229 G31H4'-H8 4.136 7.195 3516.77 6117.79 7.04e+005 ga 18612 G31H4'-G32H1 4.136 11.481 3516.77 9762.11 6.01e+005 ga -7441 G31H4'-G32H1' 4.139 6.411 3519.33 5451.17 1.09e+005 ga 429 G31H5"-G4H1 2.396 10.889 2037.28 9258.74 5.00e+005 ma -35438 G31H5"-A30H2" 2.395 2.744 2036.43 2333.18 1.69e+007 ma 38821 G31H5"-A30H8 2.397 7.485 2038.13 6364.38 1.30e+007 ma 84749 G31H5"-H4' 2.396 4.134 2037.28 3515.07 1.55e+007 ma 434980 G31H5"-H5' 2.396 3.687 2037.28 3135.00 2.59e+007 ga 1202789 G31H5"-H8 2.396 7.194 2037.28 6116.94 5.88e+006 ga 36971 G31H5"-G32H1 2.396 11.482 2037.28 9762.96 2.49e+005 ga -42631 G31H5'-G4H1 3.689 10.890 3136.70 9259.59 2.00e+005 ma -1676 G31H5'-A30H1' 3.688 5.806 3135.85 4936.75 6.86e+005 ga 11387 G31H5'-A30H8 3.687 7.483 3135.00 6362.68 5.34e+005 ga 34905 G31H5'-H1' 3.688 5.585 3135.85 4748.84 1.22e+006 ga 38392 G31H5'-H4' 3.689 4.133 3136.70 3514.22 6.43e+006 ma 501552 G31H5'-H8 3.688 7.195 3135.85 6117.79 1.06e+007 ma 41964 G31H5'-G32H1 3.689 11.482 3136.70 9762.96 3.12e+005 ga 1903 G31H5'-G32H1' 3.687 6.411 3135.00 5451.17 2.24e+005 ga 8400 G31H5'-G32H8 3.689 7.761 3136.70 6599.05 1.00e+005 ma 36748 G31H8-G4H1 7.194 10.889 6116.94 9258.74 1.28e+006 ga 32333 G31H8-G13H1 7.196 11.223 6118.64 9542.74 8.95e+006 ga 63152 G31H8-G13H8 7.199 7.581 6121.19 6446.00 2.24e+005 ma 18261 G31H8-G28H1 7.197 10.999 6119.49 9352.27 6.46e+005 ga 15912 G31H8-G28H21/22 7.195 8.600 6117.79 7312.44 8.00e+005 ma 17644 G31H8-A30H8 7.195 7.483 6117.79 6362.68 5.63e+006 ga 362878 G31H8-G32H1 7.195 11.482 6117.79 9762.96 3.67e+006 ga 194198 G32H1-G7H1 11.487 11.559 9767.21 9828.43 1.00e+006 ma 133582 G32H1'-G4H1 6.411 10.889 5451.17 9258.74 5.00e+005 ma 21128 G32H1'-G7H1 6.406 11.559 5446.92 9828.43 2.00e+006 ma 27791 G32H1'-G7H1' 6.410 6.094 5450.32 5181.63 2.76e+006 ga 120756 G32H1'-G7H8 6.404 7.988 5445.22 6792.07 2.31e+006 ma 34143 G32H1'-H8 6.410 7.761 5450.32 6599.05 2.24e+007 ga 1393861 G32H2"-G7H1 3.470 11.562 2950.49 9830.98 1.00e+006 ma 29599 G32H2"-G7H1' 3.469 6.093 2949.64 5180.78 1.13e+006 ga 102996 G32H2"-G12H8 3.469 7.645 2949.64 6500.42 5.58e+005 ga 21939 G32H2"-H1 3.468 11.479 2948.78 9760.41 2.45e+005 ga 6977 G32H2"-H1' 3.469 6.412 2949.64 5452.02 9.04e+006 ga 452607 G32H2"-H4' 3.471 4.214 2951.34 3583.10 1.00e+006 ma 89151 G32H2"-H5" 3.476 4.134 2955.59 3515.07 1.00e+006 ma 26435 G32H2"-H5' 3.472 4.271 2952.19 3631.56 1.11e+006 ma 30238 G32H2"-H8 3.469 7.761 2949.64 6599.05 2.38e+006 ga 122813 G32H2'-G7H1 2.753 11.560 2340.83 9829.28 1.55e+006 ga -770 G32H2'-G7H1' 2.751 6.094 2339.13 5181.63 1.00e+006 ma 512986 G32H2'-T9H1' 2.749 6.520 2337.43 5543.85 1.60e+006 ma 57599 G32H2'-H1 2.759 11.483 2345.93 9763.81 5.06e+005 ga 2649 G32H2'-H1' 2.752 6.411 2339.98 5451.17 1.84e+007 ga 769478 G32H2'-H2" 2.752 3.470 2339.98 2950.49 2.54e+007 ga 976561 G32H2'-H4' 2.749 4.215 2337.43 3583.95 4.23e+006 ma 131549 G32H2'-H5" 2.750 4.134 2338.28 3515.07 8.75e+005 ma 66611 G32H2'-H8 2.750 7.761 2338.28 6599.05 7.00e+006 ma 291460 G32H21/22-G12H8 7.389 7.645 6282.75 6500.42 5.02e+006 ga 79962 G32H21/22-G13H8 7.393 7.581 6286.15 6446.00 6.36e+006 ga 93414 G32H21/22-H1 7.391 11.482 6284.45 9762.96 2.40e+007 ma 301273 G32H3'-G7H1 4.882 11.561 4151.09 9830.13 2.54e+005 ga -6511 G32H3'-H1 4.880 11.482 4149.39 9762.96 2.80e+005 ga -4672 G32H3'-H1' 4.883 6.411 4151.94 5451.17 1.25e+006 ma 145866 G32H3'-H8 4.894 7.765 4161.29 6602.46 2.00e+006 ma 253070 G32H4'-G7H1 4.213 11.559 3582.25 9828.43 2.18e+005 ga -23224 G32H4'-H1 4.216 11.483 3584.80 9763.81 1.41e+005 ma -20339 G32H4'-H1' 4.215 6.411 3583.95 5451.17 2.39e+006 ga 247231 G32H4'-H8 4.215 7.763 3583.95 6600.75 1.00e+006 ma 133543 G32H8-G4H1 7.761 10.889 6599.05 9258.74 1.18e+006 ga 15729 G32H8-G7H8 7.758 7.989 6596.50 6792.92 1.01e+006 ga 34875 G32H8-G31H8 7.770 7.195 6606.71 6117.79 4.64e+004 ma -742 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . folded 17 ppm . . . 4.701 . . 34431 1 2 . . H 1 H . folded 17 ppm . . . 4.701 . . 34431 1 stop_ save_