data_34145 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34145 _Entry.Title ; G-quadruplex of Human papillomavirus type 52 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-05-29 _Entry.Accession_date 2017-05-29 _Entry.Last_release_date 2018-06-06 _Entry.Original_release_date 2018-06-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _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' 34145 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 M. Marusic M. . . . 34145 2 J. Plavec J. . . . 34145 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DNA . 34145 G-quadruplex . 34145 HPV52 . 34145 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34145 spectral_peak_list 1 34145 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 27 34145 '1H chemical shifts' 221 34145 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-08-26 2017-05-29 update BMRB 'update entry citation' 34145 1 . . 2018-06-06 2017-05-29 original author 'original release' 34145 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5O4D . 34145 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34145 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30987050 _Citation.Full_citation . _Citation.Title ; Towards Understanding of Polymorphism of the G-rich Region of Human Papillomavirus Type 52 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Molecules _Citation.Journal_name_full 'Molecules (Basel, Switzerland)' _Citation.Journal_volume 24 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1420-3049 _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 E1294 _Citation.Page_last E1294 _Citation.Year 2019 _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 Maja Marusic M. . . . 34145 1 2 Janez Plavec J. . . . 34145 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34145 _Assembly.ID 1 _Assembly.Name 'G-quadruplex of Human papillomavirus type 52' _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 . . . . . . 34145 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34145 _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 ; GGGTAGGGCAGGGGACACAG GGT ; _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 23 _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 7276.684 _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 . DG . 34145 1 2 . DG . 34145 1 3 . DG . 34145 1 4 . DT . 34145 1 5 . DA . 34145 1 6 . DG . 34145 1 7 . DG . 34145 1 8 . DG . 34145 1 9 . DC . 34145 1 10 . DA . 34145 1 11 . DG . 34145 1 12 . DG . 34145 1 13 . DG . 34145 1 14 . DG . 34145 1 15 . DA . 34145 1 16 . DC . 34145 1 17 . DA . 34145 1 18 . DC . 34145 1 19 . DA . 34145 1 20 . DG . 34145 1 21 . DG . 34145 1 22 . DG . 34145 1 23 . DT . 34145 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 . DG 1 1 34145 1 . DG 2 2 34145 1 . DG 3 3 34145 1 . DT 4 4 34145 1 . DA 5 5 34145 1 . DG 6 6 34145 1 . DG 7 7 34145 1 . DG 8 8 34145 1 . DC 9 9 34145 1 . DA 10 10 34145 1 . DG 11 11 34145 1 . DG 12 12 34145 1 . DG 13 13 34145 1 . DG 14 14 34145 1 . DA 15 15 34145 1 . DC 16 16 34145 1 . DA 17 17 34145 1 . DC 18 18 34145 1 . DA 19 19 34145 1 . DG 20 20 34145 1 . DG 21 21 34145 1 . DG 22 22 34145 1 . DT 23 23 34145 1 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 34145 _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 . 10618 organism . 'Human papillomavirus type 52' 'Human papillomavirus type 52' . . Viruses . Alphapapillomavirus 'Alphapapillomavirus 9' . . . . . . . . . . . . . 34145 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 34145 _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' . . . . . . . . . . . . . . . . 34145 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34145 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.2 mM DNA (5'-D(*GP*GP*GP*TP*AP*GP*GP*GP*CP*AP*GP*GP*GP*GP*AP*CP*AP*CP*AP*GP*GP*GP*T)-3'), 10 mM potassium phosphate, 40 mM potassium chloride, 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 entity_1 'natural abundance' 1 $assembly 1 $entity_1 . . 1.2 . . mM 0.1 . . . 34145 1 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 34145 1 3 'potassium chloride' 'natural abundance' . . . . . . 40 . . mM 0.5 . . . 34145 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34145 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.2 mM DNA (5'-D(*GP*GP*GP*TP*AP*GP*GP*GP*CP*AP*GP*GP*GP*GP*AP*CP*AP*CP*AP*GP*GP*GP*T)-3'), 10 mM potassium phosphate, 40 mM potassium chloride, 100% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 'natural abundance' 1 $assembly 1 $entity_1 . . 1.2 . . mM 0.1 . . . 34145 2 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 34145 2 3 'potassium chloride' 'natural abundance' . . . . . . 40 . . mM 0.5 . . . 34145 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34145 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.9 mM 15N site-specifically labelled at 5% DNA (5'-D(*GP*GP*GP*TP*AP*GP*GP*GP*CP*AP*GP*GP*GP*GP*AP*CP*AP*CP*AP*GP*GP*GP*T)-3'), 10 mM potassium phosphate, 40 mM potassium chloride, 100% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '15N site-specifically labelled at 5%' 1 $assembly 1 $entity_1 . . 0.9 . . mM 0.1 . . . 34145 3 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 34145 3 3 'potassium chloride' 'natural abundance' . . . . . . 40 . . mM 0.5 . . . 34145 3 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 34145 _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' 50 1 mM 34145 1 pH 6.8 0.05 pH 34145 1 pressure 1 . atm 34145 1 temperature 298 1 K 34145 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34145 _Software.ID 1 _Software.Type . _Software.Name vnmrj _Software.Version 3. _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Agilent . . 34145 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 34145 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34145 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34145 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 34145 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34145 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version 3.115 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34145 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34145 3 . 'data analysis' 34145 3 . 'peak picking' 34145 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34145 _Software.ID 4 _Software.Type . _Software.Name AMBER _Software.Version 14 _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' . . 34145 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34145 4 . 'structure calculation' 34145 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 34145 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34145 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model DD2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 34145 _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 Varian VNMRS . 800 . . . 34145 1 2 NMR_spectrometer_2 Varian DD2 . 600 . . . 34145 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 34145 _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 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34145 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34145 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34145 1 4 '2D DQF-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34145 1 5 '2D HP COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34145 1 6 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34145 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 34145 _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 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.25144953 . . . . . 34145 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 external direct 1.0 . . . . . 34145 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 34145 _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' . . . 34145 1 2 '2D 1H-1H NOESY' . . . 34145 1 3 '2D 1H-1H TOCSY' . . . 34145 1 4 '2D DQF-COSY' . . . 34145 1 5 '2D HP COSY' . . . 34145 1 6 '2D 1H-13C HSQC aromatic' . . . 34145 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 DG H1 H 1 11.646 0.003 23 1 . . . . A 1 DG H1 . 34145 1 2 . 1 1 1 1 DG H1' H 1 6.096 0.005 18 1 . . . . A 1 DG H1' . 34145 1 3 . 1 1 1 1 DG H2' H 1 2.306 0.006 19 1 . . . . A 1 DG H2' . 34145 1 4 . 1 1 1 1 DG H2'' H 1 2.518 0.004 15 1 . . . . A 1 DG H2'' . 34145 1 5 . 1 1 1 1 DG H3' H 1 4.958 0.007 14 1 . . . . A 1 DG H3' . 34145 1 6 . 1 1 1 1 DG H4' H 1 4.424 0.002 15 1 . . . . A 1 DG H4' . 34145 1 7 . 1 1 1 1 DG H5' H 1 4.003 0.004 22 2 . . . . A 1 DG H5' . 34145 1 8 . 1 1 1 1 DG H8 H 1 7.68 0.004 40 1 . . . . A 1 DG H8 . 34145 1 9 . 1 1 1 1 DG H22 H 1 5.236 0.021 3 1 . . . . A 1 DG H22 . 34145 1 10 . 1 1 1 1 DG C8 C 13 140.218 0 1 1 . . . . A 1 DG C8 . 34145 1 11 . 1 1 2 2 DG H1 H 1 12.079 0.003 16 1 . . . . A 2 DG H1 . 34145 1 12 . 1 1 2 2 DG H1' H 1 5.928 0.003 26 1 . . . . A 2 DG H1' . 34145 1 13 . 1 1 2 2 DG H2' H 1 2.42 0.006 15 1 . . . . A 2 DG H2' . 34145 1 14 . 1 1 2 2 DG H2'' H 1 2.645 0.005 12 1 . . . . A 2 DG H2'' . 34145 1 15 . 1 1 2 2 DG H3' H 1 4.978 0.005 18 1 . . . . A 2 DG H3' . 34145 1 16 . 1 1 2 2 DG H4' H 1 4.447 0.004 15 1 . . . . A 2 DG H4' . 34145 1 17 . 1 1 2 2 DG H5' H 1 4.116 0.007 6 2 . . . . A 2 DG H5' . 34145 1 18 . 1 1 2 2 DG H5'' H 1 4.116 0.007 6 2 . . . . A 2 DG H5'' . 34145 1 19 . 1 1 2 2 DG H8 H 1 7.582 0.007 34 1 . . . . A 2 DG H8 . 34145 1 20 . 1 1 2 2 DG H21 H 1 8.414 0.012 3 1 . . . . A 2 DG H21 . 34145 1 21 . 1 1 2 2 DG C8 C 13 135.954 0 1 1 . . . . A 2 DG C8 . 34145 1 22 . 1 1 3 3 DG H1' H 1 5.635 0.004 23 1 . . . . A 3 DG H1' . 34145 1 23 . 1 1 3 3 DG H2' H 1 2.575 0.004 15 1 . . . . A 3 DG H2' . 34145 1 24 . 1 1 3 3 DG H2'' H 1 2.398 0.004 15 1 . . . . A 3 DG H2'' . 34145 1 25 . 1 1 3 3 DG H3' H 1 4.852 0.004 5 1 . . . . A 3 DG H3' . 34145 1 26 . 1 1 3 3 DG H4' H 1 4.452 0.004 17 1 . . . . A 3 DG H4' . 34145 1 27 . 1 1 3 3 DG H5' H 1 4.157 0.009 8 2 . . . . A 3 DG H5' . 34145 1 28 . 1 1 3 3 DG H5'' H 1 4.265 0.005 5 2 . . . . A 3 DG H5'' . 34145 1 29 . 1 1 3 3 DG H8 H 1 8.064 0.003 42 1 . . . . A 3 DG H8 . 34145 1 30 . 1 1 3 3 DG C8 C 13 137.686 0 1 1 . . . . A 3 DG C8 . 34145 1 31 . 1 1 4 4 DT H1' H 1 5.553 0.004 20 1 . . . . A 4 DT H1' . 34145 1 32 . 1 1 4 4 DT H2' H 1 1.683 0.002 13 1 . . . . A 4 DT H2' . 34145 1 33 . 1 1 4 4 DT H2'' H 1 1.902 0.002 9 1 . . . . A 4 DT H2'' . 34145 1 34 . 1 1 4 4 DT H3' H 1 4.33 0.003 20 1 . . . . A 4 DT H3' . 34145 1 35 . 1 1 4 4 DT H4' H 1 2.092 0.004 23 1 . . . . A 4 DT H4' . 34145 1 36 . 1 1 4 4 DT H5' H 1 3.156 0.003 17 1 . . . . A 4 DT H5' . 34145 1 37 . 1 1 4 4 DT H5'' H 1 3.234 0.007 18 1 . . . . A 4 DT H5'' . 34145 1 38 . 1 1 4 4 DT H6 H 1 6.913 0.003 36 1 . . . . A 4 DT H6 . 34145 1 39 . 1 1 4 4 DT H71 H 1 1.345 0.002 15 2 . . . . A 4 DT H71 . 34145 1 40 . 1 1 4 4 DT H72 H 1 1.345 0.002 15 2 . . . . A 4 DT H72 . 34145 1 41 . 1 1 4 4 DT H73 H 1 1.345 0.002 15 2 . . . . A 4 DT H73 . 34145 1 42 . 1 1 4 4 DT C6 C 13 137.602 0 1 1 . . . . A 4 DT C6 . 34145 1 43 . 1 1 5 5 DA H1' H 1 6.268 0.003 15 1 . . . . A 5 DA H1' . 34145 1 44 . 1 1 5 5 DA H2 H 1 7.987 0.002 33 1 . . . . A 5 DA H2 . 34145 1 45 . 1 1 5 5 DA H2' H 1 2.761 0.002 18 1 . . . . A 5 DA H2' . 34145 1 46 . 1 1 5 5 DA H2'' H 1 3.21 0.003 18 1 . . . . A 5 DA H2'' . 34145 1 47 . 1 1 5 5 DA H3' H 1 4.767 0.003 3 1 . . . . A 5 DA H3' . 34145 1 48 . 1 1 5 5 DA H4' H 1 4.252 0.005 8 1 . . . . A 5 DA H4' . 34145 1 49 . 1 1 5 5 DA H5' H 1 3.853 0.003 11 1 . . . . A 5 DA H5' . 34145 1 50 . 1 1 5 5 DA H5'' H 1 3.654 0.002 11 1 . . . . A 5 DA H5'' . 34145 1 51 . 1 1 5 5 DA H8 H 1 8.033 0.003 29 1 . . . . A 5 DA H8 . 34145 1 52 . 1 1 5 5 DA C2 C 13 153.584 0 1 1 . . . . A 5 DA C2 . 34145 1 53 . 1 1 6 6 DG H1 H 1 11.256 0.004 29 1 . . . . A 6 DG H1 . 34145 1 54 . 1 1 6 6 DG H1' H 1 5.644 0.005 26 1 . . . . A 6 DG H1' . 34145 1 55 . 1 1 6 6 DG H2' H 1 2.761 0.005 12 1 . . . . A 6 DG H2' . 34145 1 56 . 1 1 6 6 DG H2'' H 1 2.64 0.004 16 1 . . . . A 6 DG H2'' . 34145 1 57 . 1 1 6 6 DG H3' H 1 4.863 0.003 6 1 . . . . A 6 DG H3' . 34145 1 58 . 1 1 6 6 DG H4' H 1 4.338 0.003 12 1 . . . . A 6 DG H4' . 34145 1 59 . 1 1 6 6 DG H5' H 1 4.265 0.002 2 2 . . . . A 6 DG H5' . 34145 1 60 . 1 1 6 6 DG H5'' H 1 4.163 0.001 2 2 . . . . A 6 DG H5'' . 34145 1 61 . 1 1 6 6 DG H8 H 1 6.793 0.003 21 1 . . . . A 6 DG H8 . 34145 1 62 . 1 1 6 6 DG C8 C 13 139.772 0 1 1 . . . . A 6 DG C8 . 34145 1 63 . 1 1 7 7 DG H1 H 1 12.292 0.003 21 1 . . . . A 7 DG H1 . 34145 1 64 . 1 1 7 7 DG H1' H 1 5.645 0.005 20 1 . . . . A 7 DG H1' . 34145 1 65 . 1 1 7 7 DG H2' H 1 2.724 0.004 17 1 . . . . A 7 DG H2' . 34145 1 66 . 1 1 7 7 DG H2'' H 1 2.581 0.004 19 1 . . . . A 7 DG H2'' . 34145 1 67 . 1 1 7 7 DG H3' H 1 5.046 0.003 21 1 . . . . A 7 DG H3' . 34145 1 68 . 1 1 7 7 DG H4' H 1 4.429 0.006 21 1 . . . . A 7 DG H4' . 34145 1 69 . 1 1 7 7 DG H5' H 1 4.233 0.004 4 2 . . . . A 7 DG H5' . 34145 1 70 . 1 1 7 7 DG H5'' H 1 4.169 0.003 23 2 . . . . A 7 DG H5'' . 34145 1 71 . 1 1 7 7 DG H8 H 1 8.145 0.003 46 1 . . . . A 7 DG H8 . 34145 1 72 . 1 1 7 7 DG H21 H 1 9.91 0.005 2 1 . . . . A 7 DG H21 . 34145 1 73 . 1 1 7 7 DG H22 H 1 5.066 0.013 3 1 . . . . A 7 DG H22 . 34145 1 74 . 1 1 7 7 DG C8 C 13 138.15 0 1 1 . . . . A 7 DG C8 . 34145 1 75 . 1 1 8 8 DG H1 H 1 10.9 0.004 27 1 . . . . A 8 DG H1 . 34145 1 76 . 1 1 8 8 DG H1' H 1 5.939 0.003 24 1 . . . . A 8 DG H1' . 34145 1 77 . 1 1 8 8 DG H2' H 1 2.512 0.003 14 1 . . . . A 8 DG H2' . 34145 1 78 . 1 1 8 8 DG H2'' H 1 2.71 0.005 15 1 . . . . A 8 DG H2'' . 34145 1 79 . 1 1 8 8 DG H3' H 1 4.971 0.005 20 1 . . . . A 8 DG H3' . 34145 1 80 . 1 1 8 8 DG H4' H 1 4.546 0.002 15 1 . . . . A 8 DG H4' . 34145 1 81 . 1 1 8 8 DG H5' H 1 4.324 0.002 4 1 . . . . A 8 DG H5' . 34145 1 82 . 1 1 8 8 DG H5'' H 1 4.227 0.007 15 1 . . . . A 8 DG H5'' . 34145 1 83 . 1 1 8 8 DG H8 H 1 7.742 0.001 40 1 . . . . A 8 DG H8 . 34145 1 84 . 1 1 8 8 DG C8 C 13 136.076 0 1 1 . . . . A 8 DG C8 . 34145 1 85 . 1 1 9 9 DC H1' H 1 6.15 0.003 26 1 . . . . A 9 DC H1' . 34145 1 86 . 1 1 9 9 DC H2' H 1 2.364 0.009 15 1 . . . . A 9 DC H2' . 34145 1 87 . 1 1 9 9 DC H2'' H 1 2.534 0.007 21 1 . . . . A 9 DC H2'' . 34145 1 88 . 1 1 9 9 DC H3' H 1 4.67 0.003 9 1 . . . . A 9 DC H3' . 34145 1 89 . 1 1 9 9 DC H4' H 1 4.482 0.004 13 1 . . . . A 9 DC H4' . 34145 1 90 . 1 1 9 9 DC H5 H 1 6.11 0.003 9 1 . . . . A 9 DC H5 . 34145 1 91 . 1 1 9 9 DC H5' H 1 4.124 0.004 10 1 . . . . A 9 DC H5' . 34145 1 92 . 1 1 9 9 DC H5'' H 1 3.692 0.003 26 1 . . . . A 9 DC H5'' . 34145 1 93 . 1 1 9 9 DC H6 H 1 8.043 0.003 33 1 . . . . A 9 DC H6 . 34145 1 94 . 1 1 9 9 DC C6 C 13 142.683 0 1 1 . . . . A 9 DC C6 . 34145 1 95 . 1 1 10 10 DA H1' H 1 5.287 0.004 21 1 . . . . A 10 DA H1' . 34145 1 96 . 1 1 10 10 DA H2 H 1 7.632 0.002 25 1 . . . . A 10 DA H2 . 34145 1 97 . 1 1 10 10 DA H2' H 1 1.805 0.004 10 1 . . . . A 10 DA H2' . 34145 1 98 . 1 1 10 10 DA H2'' H 1 2.116 0.005 9 1 . . . . A 10 DA H2'' . 34145 1 99 . 1 1 10 10 DA H3' H 1 4.609 0.008 5 1 . . . . A 10 DA H3' . 34145 1 100 . 1 1 10 10 DA H4' H 1 3.74 0.006 22 1 . . . . A 10 DA H4' . 34145 1 101 . 1 1 10 10 DA H5' H 1 3.884 0.005 19 1 . . . . A 10 DA H5' . 34145 1 102 . 1 1 10 10 DA H5'' H 1 3.569 0.004 18 1 . . . . A 10 DA H5'' . 34145 1 103 . 1 1 10 10 DA H8 H 1 7.675 0.001 41 1 . . . . A 10 DA H8 . 34145 1 104 . 1 1 10 10 DA C2 C 13 153.2 0 1 1 . . . . A 10 DA C2 . 34145 1 105 . 1 1 10 10 DA C8 C 13 139.54 0 1 1 . . . . A 10 DA C8 . 34145 1 106 . 1 1 11 11 DG H1 H 1 10.996 0.003 30 1 . . . . A 11 DG H1 . 34145 1 107 . 1 1 11 11 DG H1' H 1 6.084 0.004 19 1 . . . . A 11 DG H1' . 34145 1 108 . 1 1 11 11 DG H2' H 1 2.946 0.007 19 1 . . . . A 11 DG H2' . 34145 1 109 . 1 1 11 11 DG H2'' H 1 2.711 0.007 20 1 . . . . A 11 DG H2'' . 34145 1 110 . 1 1 11 11 DG H3' H 1 6.085 0.005 4 1 . . . . A 11 DG H3' . 34145 1 111 . 1 1 11 11 DG H4' H 1 4.252 0.005 17 1 . . . . A 11 DG H4' . 34145 1 112 . 1 1 11 11 DG H5' H 1 4.086 0.023 3 2 . . . . A 11 DG H5' . 34145 1 113 . 1 1 11 11 DG H5'' H 1 3.94 0.002 3 2 . . . . A 11 DG H5'' . 34145 1 114 . 1 1 11 11 DG H8 H 1 7.125 0.002 37 1 . . . . A 11 DG H8 . 34145 1 115 . 1 1 11 11 DG C8 C 13 139.101 0 1 1 . . . . A 11 DG C8 . 34145 1 116 . 1 1 12 12 DG H1 H 1 11.702 0.003 18 1 . . . . A 12 DG H1 . 34145 1 117 . 1 1 12 12 DG H1' H 1 6.024 0.003 20 1 . . . . A 12 DG H1' . 34145 1 118 . 1 1 12 12 DG H2' H 1 2.939 0.007 18 1 . . . . A 12 DG H2' . 34145 1 119 . 1 1 12 12 DG H2'' H 1 2.729 0.003 12 1 . . . . A 12 DG H2'' . 34145 1 120 . 1 1 12 12 DG H3' H 1 4.952 0.007 11 1 . . . . A 12 DG H3' . 34145 1 121 . 1 1 12 12 DG H4' H 1 4.074 0.003 15 1 . . . . A 12 DG H4' . 34145 1 122 . 1 1 12 12 DG H5' H 1 4.42 0.004 9 2 . . . . A 12 DG H5' . 34145 1 123 . 1 1 12 12 DG H5'' H 1 4.42 0.004 9 2 . . . . A 12 DG H5'' . 34145 1 124 . 1 1 12 12 DG H8 H 1 7.064 0.003 29 1 . . . . A 12 DG H8 . 34145 1 125 . 1 1 12 12 DG C8 C 13 134.718 0 1 1 . . . . A 12 DG C8 . 34145 1 126 . 1 1 13 13 DG H1 H 1 11.761 0.002 19 1 . . . . A 13 DG H1 . 34145 1 127 . 1 1 13 13 DG H1' H 1 5.884 0.003 20 1 . . . . A 13 DG H1' . 34145 1 128 . 1 1 13 13 DG H2' H 1 2.985 0.007 19 1 . . . . A 13 DG H2' . 34145 1 129 . 1 1 13 13 DG H2'' H 1 2.434 0.005 16 1 . . . . A 13 DG H2'' . 34145 1 130 . 1 1 13 13 DG H3' H 1 4.703 0.005 7 1 . . . . A 13 DG H3' . 34145 1 131 . 1 1 13 13 DG H4' H 1 4.408 0.004 17 1 . . . . A 13 DG H4' . 34145 1 132 . 1 1 13 13 DG H5' H 1 4.07 0.001 6 1 . . . . A 13 DG H5' . 34145 1 133 . 1 1 13 13 DG H5'' H 1 4.366 0.006 4 1 . . . . A 13 DG H5'' . 34145 1 134 . 1 1 13 13 DG H8 H 1 7.681 0.002 48 1 . . . . A 13 DG H8 . 34145 1 135 . 1 1 13 13 DG H21 H 1 9.973 0.008 3 1 . . . . A 13 DG H21 . 34145 1 136 . 1 1 13 13 DG H22 H 1 6.824 0.009 3 1 . . . . A 13 DG H22 . 34145 1 137 . 1 1 13 13 DG C8 C 13 137.858 0 1 1 . . . . A 13 DG C8 . 34145 1 138 . 1 1 14 14 DG H1 H 1 11.098 0.002 30 1 . . . . A 14 DG H1 . 34145 1 139 . 1 1 14 14 DG H1' H 1 6.225 0.003 13 1 . . . . A 14 DG H1' . 34145 1 140 . 1 1 14 14 DG H2' H 1 2.388 0.004 14 2 . . . . A 14 DG H2' . 34145 1 141 . 1 1 14 14 DG H2'' H 1 2.388 0.004 14 2 . . . . A 14 DG H2'' . 34145 1 142 . 1 1 14 14 DG H3' H 1 4.758 0.002 3 1 . . . . A 14 DG H3' . 34145 1 143 . 1 1 14 14 DG H4' H 1 3.583 0.005 19 1 . . . . A 14 DG H4' . 34145 1 144 . 1 1 14 14 DG H5' H 1 3.473 0.003 18 1 . . . . A 14 DG H5' . 34145 1 145 . 1 1 14 14 DG H5'' H 1 3.033 0.005 12 1 . . . . A 14 DG H5'' . 34145 1 146 . 1 1 14 14 DG H8 H 1 7.832 0.002 38 1 . . . . A 14 DG H8 . 34145 1 147 . 1 1 14 14 DG H21 H 1 7.369 0.004 6 2 . . . . A 14 DG H21 . 34145 1 148 . 1 1 14 14 DG H22 H 1 7.369 0.004 6 2 . . . . A 14 DG H22 . 34145 1 149 . 1 1 14 14 DG C8 C 13 136.891 0 1 1 . . . . A 14 DG C8 . 34145 1 150 . 1 1 15 15 DA H1' H 1 6.386 0.004 27 1 . . . . A 15 DA H1' . 34145 1 151 . 1 1 15 15 DA H2 H 1 8.229 0.001 4 5 . . . . A 15 DA H2 . 34145 1 152 . 1 1 15 15 DA H2' H 1 3.115 0.004 22 1 . . . . A 15 DA H2' . 34145 1 153 . 1 1 15 15 DA H2'' H 1 2.802 0.003 18 1 . . . . A 15 DA H2'' . 34145 1 154 . 1 1 15 15 DA H3' H 1 4.962 0.003 13 1 . . . . A 15 DA H3' . 34145 1 155 . 1 1 15 15 DA H4' H 1 4.445 0.008 14 1 . . . . A 15 DA H4' . 34145 1 156 . 1 1 15 15 DA H5' H 1 4.118 0.006 9 2 . . . . A 15 DA H5' . 34145 1 157 . 1 1 15 15 DA H5'' H 1 4.118 0.006 9 2 . . . . A 15 DA H5'' . 34145 1 158 . 1 1 15 15 DA H8 H 1 8.312 0.001 32 1 . . . . A 15 DA H8 . 34145 1 159 . 1 1 15 15 DA C2 C 13 153.392 0 1 5 . . . . A 15 DA C2 . 34145 1 160 . 1 1 15 15 DA C8 C 13 142.3 0 1 1 . . . . A 15 DA C8 . 34145 1 161 . 1 1 16 16 DC H1' H 1 6.171 0.003 17 1 . . . . A 16 DC H1' . 34145 1 162 . 1 1 16 16 DC H2' H 1 2.003 0.003 14 1 . . . . A 16 DC H2' . 34145 1 163 . 1 1 16 16 DC H2'' H 1 2.413 0.003 16 1 . . . . A 16 DC H2'' . 34145 1 164 . 1 1 16 16 DC H3' H 1 4.839 0.005 7 1 . . . . A 16 DC H3' . 34145 1 165 . 1 1 16 16 DC H4' H 1 4.299 0.003 13 1 . . . . A 16 DC H4' . 34145 1 166 . 1 1 16 16 DC H5 H 1 5.971 0.003 3 1 . . . . A 16 DC H5 . 34145 1 167 . 1 1 16 16 DC H5' H 1 4.119 0.006 15 2 . . . . A 16 DC H5' . 34145 1 168 . 1 1 16 16 DC H5'' H 1 4.119 0.006 15 2 . . . . A 16 DC H5'' . 34145 1 169 . 1 1 16 16 DC H6 H 1 7.705 0.003 34 1 . . . . A 16 DC H6 . 34145 1 170 . 1 1 16 16 DC C6 C 13 143.584 0 1 1 . . . . A 16 DC C6 . 34145 1 171 . 1 1 17 17 DA H1' H 1 6.294 0.002 20 1 . . . . A 17 DA H1' . 34145 1 172 . 1 1 17 17 DA H2 H 1 8.227 0.004 6 5 . . . . A 17 DA H2 . 34145 1 173 . 1 1 17 17 DA H2' H 1 2.672 0.003 25 2 . . . . A 17 DA H2' . 34145 1 174 . 1 1 17 17 DA H2'' H 1 2.672 0.003 25 2 . . . . A 17 DA H2'' . 34145 1 175 . 1 1 17 17 DA H3' H 1 4.896 0.004 14 1 . . . . A 17 DA H3' . 34145 1 176 . 1 1 17 17 DA H4' H 1 4.359 0.003 14 1 . . . . A 17 DA H4' . 34145 1 177 . 1 1 17 17 DA H5' H 1 4.127 0.002 15 2 . . . . A 17 DA H5' . 34145 1 178 . 1 1 17 17 DA H5'' H 1 4.127 0.002 15 2 . . . . A 17 DA H5'' . 34145 1 179 . 1 1 17 17 DA H8 H 1 8.285 0.001 32 1 . . . . A 17 DA H8 . 34145 1 180 . 1 1 17 17 DA C2 C 13 153.592 0 1 5 . . . . A 17 DA C2 . 34145 1 181 . 1 1 17 17 DA C8 C 13 141.054 0 1 1 . . . . A 17 DA C8 . 34145 1 182 . 1 1 18 18 DC H1' H 1 6.136 0.003 15 1 . . . . A 18 DC H1' . 34145 1 183 . 1 1 18 18 DC H2' H 1 2.016 0.007 14 1 . . . . A 18 DC H2' . 34145 1 184 . 1 1 18 18 DC H2'' H 1 2.41 0.004 17 1 . . . . A 18 DC H2'' . 34145 1 185 . 1 1 18 18 DC H3' H 1 4.769 0.002 4 1 . . . . A 18 DC H3' . 34145 1 186 . 1 1 18 18 DC H4' H 1 4.259 0.001 11 1 . . . . A 18 DC H4' . 34145 1 187 . 1 1 18 18 DC H5 H 1 5.823 0.004 9 1 . . . . A 18 DC H5 . 34145 1 188 . 1 1 18 18 DC H5' H 1 4.128 0.004 6 2 . . . . A 18 DC H5' . 34145 1 189 . 1 1 18 18 DC H5'' H 1 4.043 0.005 9 2 . . . . A 18 DC H5'' . 34145 1 190 . 1 1 18 18 DC H6 H 1 7.602 0.003 33 1 . . . . A 18 DC H6 . 34145 1 191 . 1 1 18 18 DC C6 C 13 143.764 0 1 1 . . . . A 18 DC C6 . 34145 1 192 . 1 1 19 19 DA H1' H 1 6.237 0.003 19 1 . . . . A 19 DA H1' . 34145 1 193 . 1 1 19 19 DA H2 H 1 8.021 0.005 14 1 . . . . A 19 DA H2 . 34145 1 194 . 1 1 19 19 DA H2' H 1 2.763 0.002 17 1 . . . . A 19 DA H2' . 34145 1 195 . 1 1 19 19 DA H2'' H 1 2.598 0.005 17 1 . . . . A 19 DA H2'' . 34145 1 196 . 1 1 19 19 DA H3' H 1 4.938 0.003 12 1 . . . . A 19 DA H3' . 34145 1 197 . 1 1 19 19 DA H4' H 1 4.298 0.004 18 1 . . . . A 19 DA H4' . 34145 1 198 . 1 1 19 19 DA H5' H 1 3.969 0.005 15 1 . . . . A 19 DA H5' . 34145 1 199 . 1 1 19 19 DA H5'' H 1 3.864 0.004 16 1 . . . . A 19 DA H5'' . 34145 1 200 . 1 1 19 19 DA H8 H 1 8.273 0.001 37 1 . . . . A 19 DA H8 . 34145 1 201 . 1 1 19 19 DA C2 C 13 153.732 0 1 1 . . . . A 19 DA C2 . 34145 1 202 . 1 1 19 19 DA C8 C 13 141.065 0 1 1 . . . . A 19 DA C8 . 34145 1 203 . 1 1 20 20 DG H1 H 1 12.113 0.001 27 1 . . . . A 20 DG H1 . 34145 1 204 . 1 1 20 20 DG H1' H 1 6.067 0.002 22 1 . . . . A 20 DG H1' . 34145 1 205 . 1 1 20 20 DG H2' H 1 3.599 0.004 24 1 . . . . A 20 DG H2' . 34145 1 206 . 1 1 20 20 DG H2'' H 1 3.141 0.007 29 1 . . . . A 20 DG H2'' . 34145 1 207 . 1 1 20 20 DG H3' H 1 5.1 0.005 23 1 . . . . A 20 DG H3' . 34145 1 208 . 1 1 20 20 DG H4' H 1 4.4 0.004 16 1 . . . . A 20 DG H4' . 34145 1 209 . 1 1 20 20 DG H5' H 1 4.041 0.004 17 2 . . . . A 20 DG H5' . 34145 1 210 . 1 1 20 20 DG H5'' H 1 4.147 0.007 17 2 . . . . A 20 DG H5'' . 34145 1 211 . 1 1 20 20 DG H8 H 1 7.518 0.002 35 1 . . . . A 20 DG H8 . 34145 1 212 . 1 1 20 20 DG H21 H 1 7.546 0.01 6 2 . . . . A 20 DG H21 . 34145 1 213 . 1 1 20 20 DG H22 H 1 7.546 0.01 6 2 . . . . A 20 DG H22 . 34145 1 214 . 1 1 20 20 DG C8 C 13 141.875 0 1 1 . . . . A 20 DG C8 . 34145 1 215 . 1 1 21 21 DG H1 H 1 11.592 0.005 19 1 . . . . A 21 DG H1 . 34145 1 216 . 1 1 21 21 DG H1' H 1 5.976 0.003 24 1 . . . . A 21 DG H1' . 34145 1 217 . 1 1 21 21 DG H2' H 1 2.802 0.002 14 1 . . . . A 21 DG H2' . 34145 1 218 . 1 1 21 21 DG H2'' H 1 2.7 0.003 15 1 . . . . A 21 DG H2'' . 34145 1 219 . 1 1 21 21 DG H3' H 1 5.126 0.005 22 1 . . . . A 21 DG H3' . 34145 1 220 . 1 1 21 21 DG H4' H 1 4.454 0.004 14 1 . . . . A 21 DG H4' . 34145 1 221 . 1 1 21 21 DG H5' H 1 4.455 0.004 9 1 . . . . A 21 DG H5' . 34145 1 222 . 1 1 21 21 DG H5'' H 1 4.288 0.002 16 1 . . . . A 21 DG H5'' . 34145 1 223 . 1 1 21 21 DG H8 H 1 8.265 0.002 50 1 . . . . A 21 DG H8 . 34145 1 224 . 1 1 21 21 DG H21 H 1 9.459 0.006 3 1 . . . . A 21 DG H21 . 34145 1 225 . 1 1 21 21 DG H22 H 1 6.224 0.007 5 1 . . . . A 21 DG H22 . 34145 1 226 . 1 1 21 21 DG C8 C 13 137.867 0 1 1 . . . . A 21 DG C8 . 34145 1 227 . 1 1 22 22 DG H1 H 1 11.255 0.003 29 1 . . . . A 22 DG H1 . 34145 1 228 . 1 1 22 22 DG H1' H 1 6.217 0.002 26 1 . . . . A 22 DG H1' . 34145 1 229 . 1 1 22 22 DG H2' H 1 2.506 0.002 22 1 . . . . A 22 DG H2' . 34145 1 230 . 1 1 22 22 DG H2'' H 1 2.989 0.002 23 1 . . . . A 22 DG H2'' . 34145 1 231 . 1 1 22 22 DG H3' H 1 4.998 0.005 23 1 . . . . A 22 DG H3' . 34145 1 232 . 1 1 22 22 DG H4' H 1 4.541 0.003 9 1 . . . . A 22 DG H4' . 34145 1 233 . 1 1 22 22 DG H5' H 1 4.252 0.005 14 1 . . . . A 22 DG H5' . 34145 1 234 . 1 1 22 22 DG H5'' H 1 4.326 0.003 7 1 . . . . A 22 DG H5'' . 34145 1 235 . 1 1 22 22 DG H8 H 1 7.584 0.004 46 1 . . . . A 22 DG H8 . 34145 1 236 . 1 1 22 22 DG C8 C 13 135.988 0 1 1 . . . . A 22 DG C8 . 34145 1 237 . 1 1 23 23 DT H1' H 1 5.971 0.002 16 1 . . . . A 23 DT H1' . 34145 1 238 . 1 1 23 23 DT H2' H 1 2.096 0.003 15 1 . . . . A 23 DT H2' . 34145 1 239 . 1 1 23 23 DT H2'' H 1 1.941 0.002 14 1 . . . . A 23 DT H2'' . 34145 1 240 . 1 1 23 23 DT H3' H 1 4.468 0.008 12 1 . . . . A 23 DT H3' . 34145 1 241 . 1 1 23 23 DT H4' H 1 3.938 0.004 18 1 . . . . A 23 DT H4' . 34145 1 242 . 1 1 23 23 DT H5' H 1 4.251 0.004 8 1 . . . . A 23 DT H5' . 34145 1 243 . 1 1 23 23 DT H5'' H 1 4.072 0.005 6 1 . . . . A 23 DT H5'' . 34145 1 244 . 1 1 23 23 DT H6 H 1 7.132 0.003 42 1 . . . . A 23 DT H6 . 34145 1 245 . 1 1 23 23 DT H71 H 1 1.491 0.002 21 2 . . . . A 23 DT H71 . 34145 1 246 . 1 1 23 23 DT H72 H 1 1.491 0.002 21 2 . . . . A 23 DT H72 . 34145 1 247 . 1 1 23 23 DT H73 H 1 1.491 0.002 21 2 . . . . A 23 DT H73 . 34145 1 248 . 1 1 23 23 DT C6 C 13 136.655 0 1 1 . . . . A 23 DT C6 . 34145 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 34145 _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.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 'NOESYs recorded with mixing time of 80 and 150 ms.' _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; NON-EXCHANGEABLE PEAK LIST (6 NOESYs at 80, 150 and 250 ms in H2O and 80, 150 and 250 ms in D2O) Nr1 N1 A1 Nr2 N2 A2 restr. Volume RMS Height r(V) r(h) Delta s/m/w? spectrum 1 DG H3' 11 DG H8 WEAK 5.520E+06 1.1 7.660E+04 4.698 5.100 0.402 w H2O_250ms.dat 1 DG H2' 2 DG H8 MEDIUM 5.520E+05 5.2 1.162E+04 3.631 3.934 0.303 m D2O_250ms.dat 3.680E+07 1.7 5.637E+05 3.424 3.657 0.233 m H2O_250ms.dat 1 DG H5'' 1 DG H3' MEDIUM 4.350E+06 0.6 2.926E+05 3.558 3.743 0.185 m H2O_150ms.dat 7.240E+05 5.3 9.067E+03 2.945 3.616 0.671 m D2O_80ms.dat 1 DG H5'' 1 DG H4' MEDIUM 2.050E+08 6.2 2.894E+06 2.572 2.784 0.212 m H2O_250ms.dat 1.100E+06 9.4 3.754E+04 3.237 3.235 0.002 m D2O_250ms.dat 1.210E+07 2.1 1.229E+06 2.724 2.722 0.002 m H2O_80ms.dat 2.050E+07 1.2 2.042E+06 2.748 2.708 0.040 m H2O_150ms.dat 1.590E+06 6.1 2.577E+04 2.583 3.038 0.455 m D2O_80ms.dat 2.010E+06 1.8 3.229E+04 2.699 3.121 0.422 m D2O_150ms.dat 1 DG H2'' 1 DG H3' WEAK 2.940E+06 60.8 1.250E+05 5.218 4.700 0.518 w H2O_250ms.dat 1 DG H3' 1 DG H8 MEDIUM 6.370E+05 2.3 2.032E+04 3.545 3.584 0.039 m D2O_250ms.dat 2.840E+05 6.6 1.006E+04 3.443 3.554 0.111 m D2O_80ms.dat 5.490E+05 1.1 1.370E+04 3.350 3.601 0.251 m D2O_150ms.dat 1 DG H1' 2 DG H8 WEAK 3.950E+05 1.3 4.362E+03 3.839 4.632 0.793 * D2O_250ms.dat 1.410E+07 0.3 1.898E+05 4.018 4.384 0.366 w H2O_250ms.dat 1.120E+05 3.0 4.174E+04 5.944 4.782 1.162 w H2O_80ms.dat 1.750E+06 0.9 1.099E+05 4.141 4.406 0.265 w H2O_150ms.dat 1 DG H2' 1 DG H4' WEAK 1.600E+07 3.3 1.860E+05 3.934 4.399 0.465 * H2O_250ms.dat 1.030E+06 0.5 5.542E+04 4.106 4.562 0.456 w H2O_80ms.dat 1.110E+06 0.8 7.393E+04 4.467 4.708 0.241 w H2O_150ms.dat 1 DG H1' 1 DG H8 MEDIUM 1.360E+08 10.4 3.185E+06 2.754 2.740 0.014 m H2O_250ms.dat 1.800E+06 8.6 6.373E+04 2.982 2.962 0.020 m D2O_250ms.dat 1.010E+07 7.0 1.234E+06 2.807 2.720 0.087 m H2O_80ms.dat 1.900E+07 3.5 2.026E+06 2.783 2.711 0.072 m H2O_150ms.dat 7.000E+05 3.9 2.890E+04 2.962 2.981 0.019 m D2O_80ms.dat 1.190E+06 7.1 4.326E+04 2.945 2.973 0.028 m D2O_150ms.dat 1 DG H2'' 1 DG H8 MEDIUM 2.410E+05 0.9 6.166E+03 4.169 4.372 0.203 w D2O_250ms.dat 4.940E+07 0.0 5.113E+05 3.260 3.717 0.457 m H2O_250ms.dat 1 DG H2' 1 DG H3' MEDIUM 1.060E+06 9.3 1.692E+04 3.257 3.695 0.438 m D2O_250ms.dat 9.130E+06 2.2 1.587E+05 4.320 4.517 0.197 w H2O_250ms.dat 2.680E+06 7.0 1.301E+05 3.501 3.957 0.456 m H2O_80ms.dat 5.630E+06 3.8 2.038E+05 3.408 3.975 0.567 m H2O_150ms.dat 6.180E+04 0.3 2.790E+03 4.821 4.694 0.127 w D2O_150ms.dat 1 DG H5'' 1 DG H8 WEAK 6.880E+06 0.1 9.343E+04 4.529 4.934 0.405 w H2O_250ms.dat 1 DG H2' 1 DG H1' ***** 9.930E+05 2.6 7.510E+03 3.292 4.231 0.939 * D2O_250ms.dat 1 DG H5'' 11 DG H1' MEDIUM 1.140E+06 6.6 1.063E+04 3.218 3.992 0.774 m D2O_250ms.dat 1 DG H3' 1 DG H1' ***** 1.890E+07 0.8 1.527E+05 3.827 4.546 0.719 * H2O_250ms.dat 1 DG H4' 1 DG H3' MEDIUM 8.690E+05 0.5 1.472E+04 2.857 3.335 0.478 m D2O_80ms.dat 1 DG H4' 1 DG H1' ***** 7.230E+05 0.4 6.465E+03 3.471 4.338 0.867 * D2O_250ms.dat 1 DG H4' 11 DG H8 WEAK 1.500E+05 1.2 6.270E+03 4.512 4.360 0.152 w D2O_250ms.dat 1.110E+07 0.1 2.625E+05 4.182 4.154 0.028 w H2O_250ms.dat 5.240E+05 0.0 6.212E+04 4.596 4.476 0.120 w H2O_80ms.dat 9.840E+05 1.4 1.120E+05 4.558 4.393 0.165 w H2O_150ms.dat 1.680E+05 0.7 4.068E+03 4.081 4.408 0.327 w D2O_150ms.dat 1 DG H5'' 11 DG H8 MEDIUM 4.910E+05 3.9 1.242E+04 3.702 3.891 0.189 m D2O_250ms.dat 4.900E+07 0.8 1.045E+06 3.265 3.299 0.034 m H2O_250ms.dat 3.110E+06 1.6 4.041E+05 3.416 3.276 0.140 m H2O_80ms.dat 4.080E+05 6.0 6.993E+03 3.241 3.776 0.535 m D2O_80ms.dat 6.020E+05 0.7 7.716E+03 3.299 3.962 0.663 m D2O_150ms.dat 1 DG H2' 1 DG H8 ***** 3.570E+07 0.0 3.276E+05 3.442 4.003 0.561 * H2O_250ms.dat 2 DG H2' 2 DG H3' MEDIUM 2.940E+07 4.2 3.671E+05 3.555 3.928 0.373 m H2O_250ms.dat 1.340E+06 0.6 2.180E+04 3.132 3.542 0.410 m D2O_250ms.dat 2.500E+06 0.0 2.688E+05 3.542 3.506 0.036 m H2O_80ms.dat 5.910E+06 3.3 4.228E+05 3.381 3.520 0.139 m H2O_150ms.dat 1.160E+06 5.3 1.406E+04 2.723 3.361 0.638 m D2O_80ms.dat 1.020E+06 2.1 1.802E+04 3.022 3.440 0.418 m D2O_150ms.dat 2 DG H3' 3 DG H8 WEAK 2.260E+05 2.8 3.655E+03 4.214 4.770 0.556 w D2O_250ms.dat 1.330E+05 1.0 2.734E+03 4.243 4.710 0.467 w D2O_150ms.dat 2 DG H8 3 DG H8 WEAK 8.180E+06 2.1 1.984E+05 4.400 4.352 0.048 w H2O_250ms.dat 2 DG H3' 2 DG H8 ***** 1.830E+05 5.6 4.511E+03 3.704 4.062 0.358 * D2O_80ms.dat 2 DG H2' 2 DG H4' WEAK 1.340E+07 1.5 1.439E+05 4.052 4.591 0.539 w H2O_250ms.dat 5.100E+05 0.6 5.185E+04 4.617 4.613 0.004 w H2O_80ms.dat 2 DG H4' 2 DG H8 WEAK 1.130E+05 2.2 3.340E+03 4.730 4.842 0.112 w D2O_250ms.dat 1.340E+07 6.1 1.964E+05 4.052 4.360 0.308 w H2O_250ms.dat 2.800E+05 1.4 3.956E+04 5.102 4.825 0.277 w H2O_80ms.dat 9.850E+05 1.2 9.092E+04 4.557 4.548 0.009 w H2O_150ms.dat 1.080E+05 1.9 3.539E+03 4.393 4.512 0.119 w D2O_150ms.dat 2 DG H2'' 2 DG H8 ***** 5.520E+07 0.5 1.148E+06 3.201 3.248 0.047 m H2O_250ms.dat 1.830E+08 1.9 6.086E+05 1.908 3.313 1.405 * H2O_150ms.dat 4.230E+05 0.2 9.353E+03 3.221 3.597 0.376 m D2O_80ms.dat 6.890E+05 0.2 1.862E+04 3.226 3.421 0.195 m D2O_150ms.dat 2 DG H4' 2 DG H3' ***** 2.000E+07 3.4 3.093E+05 3.791 4.042 0.251 * H2O_250ms.dat 1.540E+06 2.2 1.997E+05 3.840 3.684 0.156 m H2O_80ms.dat 5.140E+06 2.0 3.385E+05 3.460 3.653 0.193 m H2O_150ms.dat 9.550E+05 0.4 1.421E+04 2.813 3.355 0.542 m D2O_80ms.dat 2 DG H2'' 3 DG H8 MEDIUM 5.490E+05 7.4 1.208E+04 3.634 3.909 0.275 m D2O_250ms.dat 4.640E+07 0.1 8.546E+05 3.295 3.412 0.117 m H2O_250ms.dat 7.520E+05 1.8 1.466E+04 3.179 3.560 0.381 m D2O_150ms.dat 2 DG H1' 2 DG H8 WEAK 1.230E+05 0.7 5.449E+03 4.299 4.198 0.101 w D2O_150ms.dat 2 DG H1' 3 DG H8 WEAK 1.090E+07 0.2 2.051E+05 4.194 4.328 0.134 w H2O_250ms.dat 2 DG H2'' 2 DG H3' ***** 2.070E+07 4.6 2.972E+05 3.769 4.069 0.300 * H2O_250ms.dat 1.290E+06 0.5 1.931E+04 3.152 3.614 0.462 m D2O_250ms.dat 1.690E+06 0.3 1.535E+05 3.781 3.849 0.068 m H2O_80ms.dat 3.760E+06 1.3 2.686E+05 3.645 3.797 0.152 m H2O_150ms.dat 1.080E+06 9.1 1.154E+04 2.756 3.474 0.718 m D2O_80ms.dat 1.000E+06 2.4 1.905E+04 3.032 3.408 0.376 m D2O_150ms.dat 2 DG H1' 1 DG H8 ***** 1.940E+07 1.0 1.644E+05 3.810 4.491 0.681 * H2O_250ms.dat 2 DG H2' 2 DG H8 MEDIUM 1.070E+08 1.8 1.705E+06 2.866 3.041 0.175 m H2O_250ms.dat 1.360E+06 3.0 2.836E+04 3.124 3.390 0.266 m D2O_250ms.dat 1.010E+07 8.6 9.935E+05 2.807 2.820 0.013 m H2O_80ms.dat 1.590E+07 0.6 1.401E+06 2.867 2.883 0.016 m H2O_150ms.dat 9.720E+05 2.0 2.264E+04 2.804 3.104 0.300 m D2O_80ms.dat 1.170E+06 1.5 2.394E+04 2.953 3.281 0.328 m D2O_150ms.dat 3 DG H2' 3 DG H3' MEDIUM 9.380E+05 0.4 1.644E+04 3.324 3.713 0.389 m D2O_250ms.dat 1.200E+06 7.0 1.742E+04 2.708 3.243 0.535 m D2O_80ms.dat 1.510E+06 3.8 2.312E+04 2.830 3.300 0.470 m D2O_150ms.dat 3 DG H3' 4 DT H6 WEAK 3.410E+06 3.6 1.208E+05 5.091 4.727 0.364 w H2O_250ms.dat 7.610E+04 0.4 3.791E+03 4.657 4.460 0.197 w D2O_150ms.dat 3 DG H5' 2 DG H1' ***** 8.270E+05 4.2 7.901E+03 3.394 4.195 0.801 * D2O_250ms.dat 3 DG H2'' 4 DT H6 MEDIUM 5.780E+05 1.0 1.452E+04 3.603 3.791 0.188 m D2O_250ms.dat 3.210E+07 4.8 7.390E+05 3.503 3.496 0.007 m H2O_250ms.dat 3.190E+06 9.6 2.324E+05 3.401 3.592 0.191 m H2O_80ms.dat 3.490E+05 1.5 1.148E+04 3.326 3.476 0.150 m D2O_80ms.dat 3 DG H2'' 3 DG H4' WEAK 4.010E+06 5.7 7.743E+04 4.955 5.091 0.136 w H2O_250ms.dat 3 DG H5'' 3 DG H4' MEDIUM 2.350E+08 0.0 1.753E+06 2.514 3.027 0.513 m H2O_250ms.dat 1.350E+07 0.4 1.142E+06 2.946 2.983 0.037 m H2O_150ms.dat 3 DG H4' 5 DA H2 WEAK 4.440E+06 0.4 5.086E+04 4.871 5.461 0.590 w H2O_250ms.dat 3 DG H5'' 3 DG H8 ***** 9.080E+07 0.0 9.199E+04 2.946 4.947 2.001 * H2O_250ms.dat 5.960E+05 4.1 6.169E+04 4.498 4.481 0.017 w H2O_80ms.dat 4.670E+05 0.5 5.702E+04 5.161 4.916 0.245 w H2O_150ms.dat 3 DG H4' 3 DG H3' MEDIUM 7.480E+05 0.6 2.038E+04 3.452 3.582 0.130 m D2O_250ms.dat 1.320E+06 4.1 1.226E+04 2.665 3.439 0.774 m D2O_80ms.dat 5.440E+05 3.7 1.612E+04 3.355 3.504 0.149 m D2O_150ms.dat 3 DG H1' 3 DG H8 ***** 2.280E+05 2.2 6.585E+03 4.207 4.324 0.117 w D2O_250ms.dat 1.490E+07 5.4 2.810E+05 3.981 4.107 0.126 * H2O_250ms.dat 4.690E+05 1.0 6.959E+04 4.682 4.392 0.290 w H2O_80ms.dat 1.400E+06 5.2 1.345E+05 4.298 4.260 0.038 w H2O_150ms.dat 1.470E+05 0.4 5.802E+03 4.173 4.155 0.018 w D2O_150ms.dat 3 DG H2' 3 DG H4' WEAK 7.340E+06 0.6 1.111E+05 4.480 4.794 0.314 w H2O_250ms.dat 3.660E+05 0.3 4.833E+04 4.879 4.667 0.212 w H2O_80ms.dat 9.030E+05 0.5 7.825E+04 4.623 4.663 0.040 w H2O_150ms.dat 3 DG H2' 4 DT H6 WEAK 1.910E+05 4.6 4.586E+03 4.333 4.593 0.260 w D2O_250ms.dat 1.200E+07 1.1 3.030E+05 4.128 4.056 0.072 w H2O_250ms.dat 3.580E+05 0.9 5.742E+04 4.897 4.535 0.362 w H2O_80ms.dat 1.220E+06 1.8 1.595E+05 4.397 4.141 0.256 w H2O_150ms.dat 1.650E+04 0.0 1.273E+03 5.532 5.016 0.516 w D2O_80ms.dat 3 DG H2' 3 DG H8 MEDIUM 9.460E+07 4.2 1.985E+06 2.926 2.965 0.039 m H2O_250ms.dat 9.550E+05 1.7 2.450E+04 3.314 3.474 0.160 m D2O_250ms.dat 1.160E+07 1.0 1.157E+06 2.743 2.749 0.006 m H2O_80ms.dat 1.710E+07 0.8 1.677E+06 2.832 2.798 0.034 m H2O_150ms.dat 1.040E+06 2.8 2.868E+04 2.773 2.985 0.212 m D2O_80ms.dat 1.550E+06 10.4 3.543E+04 2.818 3.073 0.255 m D2O_150ms.dat 3 DG H1' 4 DT H6 ***** 3.580E+05 4.3 8.446E+03 3.903 4.149 0.246 * D2O_250ms.dat 1.380E+07 2.1 3.518E+05 4.033 3.956 0.077 * H2O_250ms.dat 6.400E+05 1.3 1.187E+05 4.445 4.018 0.427 w H2O_80ms.dat 1.800E+06 1.2 1.916E+05 4.121 4.017 0.104 w H2O_150ms.dat 1.530E+05 0.0 3.505E+03 3.816 4.237 0.421 * D2O_80ms.dat 3 DG H5'' 3 DG H5' ***** 6.580E+07 1.5 2.964E+06 2.262 2.545 0.283 * H2O_150ms.dat 3 DG H3' 3 DG H8 ***** 3.690E+05 8.6 1.274E+04 3.883 3.874 0.009 m D2O_250ms.dat 1.260E+07 3.1 4.569E+05 4.094 3.787 0.307 * H2O_250ms.dat 8.730E+04 6.5 4.008E+03 4.191 4.143 0.048 w D2O_80ms.dat 2.370E+05 5.7 9.440E+03 3.854 3.831 0.023 m D2O_150ms.dat 4 DT H2' 4 DT H3' MEDIUM 8.910E+07 0.8 7.754E+05 2.955 3.468 0.513 m H2O_250ms.dat 1.280E+06 7.2 1.629E+04 3.156 3.718 0.562 m D2O_250ms.dat 7.510E+06 3.5 4.323E+05 2.949 3.239 0.290 m H2O_80ms.dat 1.110E+07 9.7 6.829E+05 3.043 3.250 0.207 m H2O_150ms.dat 9.150E+05 10.3 8.918E+03 2.833 3.626 0.793 m D2O_80ms.dat 8.920E+05 3.2 1.171E+04 3.090 3.696 0.606 m D2O_150ms.dat 4 DT H5' 4 DT H6 WEAK 6.660E+06 7.8 1.119E+05 4.553 4.788 0.235 w H2O_250ms.dat 4.000E+05 2.9 2.656E+04 4.808 5.157 0.349 w H2O_80ms.dat 3.110E+05 2.8 3.901E+04 5.522 5.237 0.285 w H2O_150ms.dat 4 DT H4' 4 DT H5' ***** 4.280E+05 1.8 5.811E+03 3.492 4.154 0.662 * D2O_150ms.dat 4 DT H3' 4 DT H1' WEAK 2.750E+05 2.1 4.192E+04 5.637 5.174 0.463 w H2O_150ms.dat 4 DT H5' 5 DA H2 WEAK 5.750E+06 18.7 1.021E+05 4.666 4.862 0.196 w H2O_250ms.dat 4 DT H1' 5 DA H8 WEAK 7.170E+05 6.3 5.298E+04 4.805 4.976 0.171 w H2O_150ms.dat 4 DT H1' 5 DA H2 WEAK 2.800E+05 1.5 3.723E+03 4.066 4.755 0.689 w D2O_250ms.dat 9.290E+06 1.4 1.961E+05 4.307 4.361 0.054 w H2O_250ms.dat 5.370E+05 4.4 2.754E+04 4.577 5.126 0.549 w H2O_80ms.dat 4 DT H4' 4 DT H1' ***** 5.770E+05 3.8 8.413E+03 3.604 4.151 0.547 * D2O_250ms.dat 4 DT H6 3 DG H8 WEAK 5.730E+06 5.6 1.353E+05 4.669 4.639 0.030 w H2O_250ms.dat 4.650E+05 0.1 2.910E+04 4.688 5.079 0.391 w H2O_80ms.dat 4 DT H4' 5 DA H2 WEAK 2.510E+06 2.3 9.717E+04 5.357 4.902 0.455 w H2O_250ms.dat 1.960E+05 2.5 3.177E+04 5.964 5.419 0.545 w H2O_150ms.dat 4 DT H7 4 DT H6 MEDIUM 1.530E+06 2.5 5.328E+04 3.064 3.052 0.012 m D2O_250ms.dat 7.160E+07 2.8 1.616E+06 3.065 3.068 0.003 m H2O_250ms.dat 6.790E+06 7.8 3.943E+05 2.999 3.289 0.290 m H2O_80ms.dat 6.360E+05 4.8 2.466E+04 3.010 3.061 0.051 m D2O_80ms.dat 1.060E+06 3.5 3.690E+04 3.002 3.052 0.050 m D2O_150ms.dat 4 DT H1' 4 DT H6 ***** 1.400E+07 4.4 3.395E+05 4.023 3.979 0.044 * H2O_250ms.dat 3.010E+05 5.0 1.055E+04 4.017 3.998 0.019 * D2O_250ms.dat 9.700E+05 4.1 7.205E+04 4.148 4.366 0.218 w H2O_80ms.dat 1.490E+06 1.3 1.450E+05 4.253 4.208 0.045 w H2O_150ms.dat 1.220E+05 3.5 3.814E+03 3.963 4.177 0.214 * D2O_80ms.dat 2.630E+05 0.4 5.342E+03 3.788 4.212 0.424 * D2O_150ms.dat 4 DT H4' 4 DT H6 WEAK 3.230E+06 8.6 9.587E+04 5.137 4.913 0.224 w H2O_250ms.dat 4.100E+05 2.3 4.193E+04 5.274 5.174 0.100 w H2O_150ms.dat 4 DT H7 3 DG H8 ***** 1.850E+07 4.8 5.281E+05 3.840 3.697 0.143 m H2O_250ms.dat 4.660E+05 3.5 1.814E+04 3.735 3.652 0.083 m D2O_250ms.dat 1.640E+06 3.3 1.131E+05 3.800 4.050 0.250 * H2O_80ms.dat 3.020E+06 4.3 1.926E+05 3.781 4.013 0.232 * H2O_150ms.dat 1.310E+05 2.3 5.880E+03 3.916 3.887 0.029 m D2O_80ms.dat 2.490E+05 2.4 1.031E+04 3.822 3.775 0.047 m D2O_150ms.dat 4 DT H4' 4 DT H3' ***** 4.080E+07 0.5 4.259E+05 3.366 3.832 0.466 m H2O_250ms.dat 6.060E+05 5.1 9.504E+03 3.575 4.068 0.493 * D2O_250ms.dat 2.900E+06 0.3 1.909E+05 3.456 3.712 0.256 m H2O_80ms.dat 5.230E+06 4.6 3.114E+05 3.450 3.704 0.254 m H2O_150ms.dat 1.600E+05 1.8 3.961E+03 3.788 4.151 0.363 * D2O_80ms.dat 2.290E+05 0.7 5.585E+03 3.876 4.181 0.305 * D2O_150ms.dat 4 DT H4' 5 DA H8 WEAK 1.520E+06 5.3 7.406E+04 4.239 4.706 0.467 w H2O_150ms.dat 4 DT H3' 4 DT H6 ***** 2.300E+05 1.9 9.205E+03 4.201 4.090 0.111 w D2O_250ms.dat 1.440E+07 5.4 3.803E+05 4.004 3.905 0.099 * H2O_250ms.dat 4.130E+05 1.2 6.010E+04 4.782 4.501 0.281 w H2O_80ms.dat 1.180E+06 2.1 1.602E+05 4.422 4.139 0.283 w H2O_150ms.dat 4.800E+04 0.6 2.114E+03 4.630 4.609 0.021 w D2O_80ms.dat 4 DT H5' 4 DT H3' ***** 5.370E+07 1.7 3.127E+05 3.215 4.034 0.819 * H2O_250ms.dat 3.700E+06 0.4 1.689E+05 3.655 4.102 0.447 * H2O_150ms.dat 2.570E+05 0.2 2.875E+03 3.500 4.379 0.879 * D2O_80ms.dat 4 DT H5'' 5 DA H2 WEAK 3.600E+06 29.9 1.065E+05 5.045 4.828 0.217 w H2O_250ms.dat 4.700E+05 0.4 3.453E+04 4.680 4.936 0.256 w H2O_80ms.dat 6.480E+05 0.6 4.645E+04 4.886 5.087 0.201 w H2O_150ms.dat 4 DT H2' 4 DT H6 MEDIUM 7.990E+07 2.0 1.695E+06 3.009 3.044 0.035 m H2O_250ms.dat 1.610E+06 4.0 4.200E+04 3.038 3.175 0.137 m D2O_250ms.dat 5.620E+06 9.7 8.033E+05 3.095 2.921 0.174 m H2O_80ms.dat 1.190E+07 6.3 1.226E+06 3.008 2.948 0.060 m H2O_150ms.dat 9.020E+05 4.8 2.458E+04 2.839 3.062 0.223 m D2O_80ms.dat 1.330E+06 2.2 3.165E+04 2.891 3.132 0.241 m D2O_150ms.dat 4 DT H2'' 4 DT H1' MEDIUM 1.600E+06 5.8 1.676E+04 3.041 3.701 0.660 m D2O_250ms.dat 4.950E+06 14.6 2.504E+05 3.161 3.548 0.387 m H2O_80ms.dat 8.880E+06 20.1 2.570E+05 3.159 3.825 0.666 m H2O_150ms.dat 4 DT H2'' 12 DG H8 WEAK 1.370E+06 0.9 4.502E+04 5.926 5.573 0.353 w H2O_250ms.dat 4 DT H5'' 4 DT H1' WEAK 1.410E+06 0.1 5.181E+04 5.898 5.444 0.454 w H2O_250ms.dat 4 DT H2' 4 DT H5'' WEAK 8.150E+04 1.5 3.085E+03 4.994 4.907 0.087 w D2O_250ms.dat 4 DT H5'' 4 DT H6 WEAK 6.140E+06 10.6 1.357E+05 4.615 4.636 0.021 w H2O_250ms.dat 1.530E+05 3.3 3.415E+04 5.643 4.945 0.698 w H2O_80ms.dat 6.460E+05 3.8 6.847E+04 4.889 4.768 0.121 w H2O_150ms.dat 4 DT H2'' 4 DT H3' ***** 6.670E+07 0.1 5.778E+05 3.101 3.642 0.541 m H2O_250ms.dat 9.310E+05 7.8 1.397E+04 3.328 3.815 0.487 m D2O_250ms.dat 3.810E+06 4.3 2.571E+05 3.302 3.532 0.230 m H2O_80ms.dat 7.810E+06 6.0 4.291E+05 3.227 3.512 0.285 m H2O_150ms.dat 3.580E+05 4.9 6.699E+03 3.312 3.803 0.491 m D2O_80ms.dat 7.890E+05 2.9 7.156E+03 3.154 4.012 0.858 * D2O_150ms.dat 4 DT H2'' 4 DT H6 ***** 3.220E+07 0.3 7.564E+05 3.501 3.482 0.019 m H2O_250ms.dat 9.650E+05 1.0 2.124E+04 3.308 3.557 0.249 m D2O_250ms.dat 1.040E+06 5.9 1.639E+05 4.100 3.808 0.292 * H2O_80ms.dat 3.120E+06 3.0 3.621E+05 3.760 3.612 0.148 m H2O_150ms.dat 2.170E+05 1.6 4.472E+03 3.601 4.068 0.467 * D2O_80ms.dat 5.190E+05 1.3 9.892E+03 3.382 3.801 0.419 m D2O_150ms.dat 4 DT H5'' 4 DT H3' MEDIUM 6.950E+05 5.2 1.100E+04 3.494 3.970 0.476 m D2O_250ms.dat 7.370E+07 1.2 5.314E+05 3.050 3.693 0.643 m H2O_250ms.dat 3.860E+06 1.9 2.592E+05 3.295 3.527 0.232 m H2O_80ms.dat 8.440E+06 3.7 4.001E+05 3.186 3.553 0.367 m H2O_150ms.dat 6.110E+05 3.7 8.718E+03 3.291 3.882 0.591 m D2O_150ms.dat 4 DT H2' 4 DT H1' ***** 8.890E+05 4.3 1.005E+04 3.354 4.030 0.676 * D2O_250ms.dat 5 DA H2'' 5 DA H5' WEAK 1.130E+06 0.8 5.141E+04 4.454 5.001 0.547 w H2O_150ms.dat 5 DA H2' 5 DA H8 MEDIUM 1.560E+06 9.4 1.435E+04 3.054 3.798 0.744 m D2O_250ms.dat 5.860E+07 0.1 6.031E+05 3.169 3.616 0.447 m H2O_250ms.dat 1.020E+07 1.9 5.809E+05 3.087 3.339 0.252 m H2O_150ms.dat 9.750E+05 3.3 9.516E+03 3.044 3.826 0.782 m D2O_150ms.dat 5 DA H2'' 5 DA H3' MEDIUM 1.170E+06 1.4 2.374E+04 3.204 3.492 0.288 m D2O_250ms.dat 5 DA H1' 5 DA H2 WEAK 2.110E+06 1.4 8.477E+04 5.515 5.015 0.500 w H2O_250ms.dat 1.870E+05 0.0 2.665E+04 5.457 5.154 0.303 w H2O_80ms.dat 8.490E+05 5.8 5.124E+04 4.671 5.004 0.333 w H2O_150ms.dat 5 DA H5'' 5 DA H3' MEDIUM 1.070E+06 0.1 1.732E+04 3.252 3.681 0.429 m D2O_250ms.dat 3.940E+05 3.4 8.330E+03 3.541 3.912 0.371 m D2O_150ms.dat 5 DA H2'' 5 DA H8 ***** 3.790E+07 3.5 4.274E+05 3.408 3.830 0.422 m H2O_250ms.dat 1.030E+06 7.5 1.182E+04 3.272 3.923 0.651 m D2O_250ms.dat 2.070E+06 16.1 1.470E+05 3.655 3.877 0.222 m H2O_80ms.dat 3.910E+06 2.4 3.038E+05 3.622 3.720 0.098 m H2O_150ms.dat 6.060E+04 0.1 3.268E+03 4.453 4.286 0.167 w D2O_80ms.dat 7.080E+05 1.1 5.599E+03 3.211 4.180 0.969 * D2O_150ms.dat 5 DA H2'' 5 DA H1' MEDIUM 1.390E+06 7.8 1.442E+04 3.113 3.795 0.682 m D2O_250ms.dat 6.900E+07 6.3 3.912E+05 3.084 3.887 0.803 m H2O_250ms.dat 4.800E+06 10.2 2.261E+05 3.177 3.609 0.432 m H2O_80ms.dat 7.750E+06 2.7 3.441E+05 3.231 3.643 0.412 m H2O_150ms.dat 5 DA H5' 5 DA H8 WEAK 1.280E+07 1.4 1.194E+05 4.083 4.737 0.654 w H2O_250ms.dat 6.980E+05 1.3 3.207E+04 4.382 4.997 0.615 w H2O_80ms.dat 9.400E+05 3.5 6.743E+04 4.593 4.780 0.187 w H2O_150ms.dat 5 DA H2' 5 DA H3' MEDIUM 1.380E+06 0.9 2.055E+04 3.117 3.577 0.460 m D2O_250ms.dat 7.040E+05 7.9 1.037E+04 3.214 3.771 0.557 m D2O_150ms.dat 5 DA H3' 5 DA H8 WEAK 2.830E+05 2.4 7.247E+03 4.059 4.256 0.197 w D2O_250ms.dat 8.300E+06 1.4 1.224E+05 4.389 4.717 0.328 w H2O_250ms.dat 3.310E+05 1.1 4.234E+04 4.962 4.771 0.191 w H2O_80ms.dat 5 DA H2'' 5 DA H4' WEAK 2.650E+05 33.5 3.378E+03 4.103 4.833 0.730 w D2O_250ms.dat 1.260E+05 2.6 4.176E+03 4.282 4.389 0.107 w D2O_150ms.dat 5 DA H4' 5 DA H3' ***** 1.130E+06 1.4 1.909E+04 3.222 3.621 0.399 m D2O_250ms.dat 1.310E+06 2.5 1.390E+04 2.668 3.367 0.699 m D2O_80ms.dat 1.800E+05 1.6 7.605E+03 4.035 3.972 0.063 * D2O_150ms.dat 5 DA H2'' 5 DA H5'' WEAK 7.190E+05 1.1 3.934E+04 4.802 5.230 0.428 w H2O_150ms.dat 5 DA H2' 5 DA H4' ***** 2.620E+05 0.5 4.454E+03 4.111 4.615 0.504 w D2O_250ms.dat 2.740E+05 0.9 2.896E+03 3.762 4.665 0.903 * D2O_150ms.dat 5 DA H1' 5 DA H8 ***** 2.090E+07 0.7 3.011E+05 3.763 4.060 0.297 * H2O_250ms.dat 1.740E+06 4.4 1.187E+05 3.763 4.018 0.255 * H2O_80ms.dat 3.440E+06 7.5 2.083E+05 3.700 3.961 0.261 m H2O_150ms.dat 5 DA H4' 5 DA H2 WEAK 7.160E+04 3.5 3.643E+03 4.705 4.490 0.215 w D2O_150ms.dat 5 DA H5' 5 DA H3' MEDIUM 1.380E+06 1.9 2.754E+04 3.117 3.407 0.290 m D2O_250ms.dat 5.760E+05 9.3 1.747E+04 3.324 3.457 0.133 m D2O_150ms.dat 6 DG H3' 7 DG H8 WEAK 9.070E+06 0.4 2.463E+05 4.325 4.198 0.127 w H2O_250ms.dat 2.850E+05 4.0 7.432E+03 4.054 4.238 0.184 w D2O_250ms.dat 3.600E+05 0.2 3.991E+04 4.893 4.818 0.075 w H2O_80ms.dat 1.060E+06 1.8 1.257E+05 4.502 4.309 0.193 w H2O_150ms.dat 4.670E+04 0.1 2.053E+03 4.651 4.632 0.019 w D2O_80ms.dat 1.540E+05 3.2 4.528E+03 4.141 4.330 0.189 w D2O_150ms.dat 6 DG H2' 6 DG H3' MEDIUM 1.220E+06 0.4 1.984E+04 3.181 3.598 0.417 m D2O_250ms.dat 1.170E+06 3.6 1.202E+04 2.719 3.450 0.731 m D2O_80ms.dat 1.130E+06 2.7 1.644E+04 2.971 3.493 0.522 m D2O_150ms.dat 6 DG H2'' 6 DG H4' ***** 2.960E+07 0.8 2.908E+05 3.551 4.083 0.532 * H2O_250ms.dat 1.240E+06 0.1 9.561E+04 3.981 4.165 0.184 * H2O_80ms.dat 6 DG H2' 7 DG H8 MEDIUM 4.730E+07 9.6 1.047E+06 3.284 3.298 0.014 m H2O_250ms.dat 6 DG H1' 6 DG H8 MEDIUM 1.450E+06 5.5 3.831E+04 3.091 3.224 0.133 m D2O_250ms.dat 9.210E+07 4.1 1.794E+06 2.939 3.015 0.076 m H2O_250ms.dat 1.380E+07 7.4 9.037E+05 2.935 3.102 0.167 m H2O_150ms.dat 7.470E+05 7.7 2.227E+04 2.930 3.113 0.183 m D2O_80ms.dat 1.170E+06 2.6 3.273E+04 2.953 3.114 0.161 m D2O_150ms.dat 6 DG H4' 6 DG H8 WEAK 5.110E+06 4.8 1.087E+05 4.759 4.811 0.052 w H2O_250ms.dat 6 DG H4' 6 DG H3' MEDIUM 1.270E+06 2.3 1.354E+04 2.682 3.382 0.700 m D2O_80ms.dat 9.050E+05 6.7 1.594E+04 3.083 3.511 0.428 m D2O_150ms.dat 6 DG H2'' 6 DG H3' MEDIUM 1.320E+06 0.2 1.729E+04 3.140 3.682 0.542 m D2O_250ms.dat 1.340E+06 0.7 1.134E+04 2.658 3.483 0.825 m D2O_80ms.dat 7.220E+05 1.8 1.516E+04 3.201 3.540 0.339 m D2O_150ms.dat 6 DG H4' 6 DG H1' ***** 7.020E+06 5.8 1.296E+05 3.285 4.287 1.002 * H2O_150ms.dat 6 DG H2'' 6 DG H8 WEAK 7.780E+06 1.0 1.730E+05 4.437 4.453 0.016 w H2O_250ms.dat 2.970E+05 0.4 4.946E+04 5.052 4.649 0.403 w H2O_80ms.dat 8.060E+05 3.4 9.500E+04 4.712 4.515 0.197 w H2O_150ms.dat 4.290E+04 1.4 1.803E+03 4.717 4.733 0.016 w D2O_80ms.dat 7.660E+04 0.4 2.910E+03 4.652 4.661 0.009 w D2O_150ms.dat 6 DG H1' 5 DA H2 WEAK 5.390E+06 0.6 1.691E+05 4.717 4.470 0.247 w H2O_250ms.dat 9.180E+05 6.7 4.798E+04 4.611 5.059 0.448 w H2O_150ms.dat 6 DG H8 5 DA H2 WEAK 7.850E+06 3.6 2.906E+05 4.430 4.084 0.346 w H2O_250ms.dat 1.230E+06 1.7 1.349E+05 4.391 4.259 0.132 w H2O_150ms.dat 6 DG H5'' 6 DG H3' MEDIUM 4.830E+05 0.6 7.460E+03 3.151 3.735 0.584 m D2O_80ms.dat 6 DG H2'' 7 DG H5'' ***** 5.400E+06 1.2 1.492E+05 3.432 4.188 0.756 * H2O_150ms.dat 6 DG H4' 7 DG H8 WEAK 5.910E+06 0.4 1.123E+05 4.645 4.785 0.140 w H2O_250ms.dat 6 DG H8 7 DG H8 WEAK 2.120E+06 1.2 9.652E+04 5.510 4.908 0.602 w H2O_250ms.dat 8.860E+05 0.4 4.997E+04 4.638 5.025 0.387 w H2O_150ms.dat 6 DG H2'' 6 DG H1' ***** 9.850E+05 4.7 9.884E+03 3.297 4.041 0.744 * D2O_250ms.dat 6 DG H2'' 7 DG H8 MEDIUM 7.050E+07 3.9 1.521E+06 3.073 3.100 0.027 m H2O_250ms.dat 7.590E+05 1.5 2.258E+04 3.443 3.521 0.078 m D2O_250ms.dat 6.220E+06 0.1 7.638E+05 3.043 2.946 0.097 m H2O_80ms.dat 1.460E+07 0.5 1.127E+06 2.908 2.990 0.082 m H2O_150ms.dat 5.660E+05 1.6 1.788E+04 3.069 3.229 0.160 m D2O_80ms.dat 8.340E+05 4.4 2.200E+04 3.125 3.327 0.202 m D2O_150ms.dat 6 DG H2' 6 DG H4' MEDIUM 4.120E+07 1.6 3.895E+05 3.361 3.889 0.528 m H2O_250ms.dat 2.280E+06 0.4 1.469E+05 3.597 3.878 0.281 m H2O_80ms.dat 3.590E+06 0.5 2.565E+05 3.673 3.826 0.153 m H2O_150ms.dat 6 DG H3' 6 DG H1' WEAK 2.090E+06 2.5 1.069E+05 4.020 4.427 0.407 w H2O_150ms.dat 6 DG H4' 5 DA H2 WEAK 2.080E+06 0.4 7.220E+04 5.528 5.151 0.377 w H2O_250ms.dat 6 DG H2' 6 DG H8 WEAK 1.110E+07 9.9 1.653E+05 4.182 4.487 0.305 w H2O_250ms.dat 4.210E+05 2.7 5.330E+04 5.251 4.971 0.280 w H2O_150ms.dat 4.520E+04 0.1 2.437E+03 5.080 4.801 0.279 w D2O_150ms.dat 7 DG H5'' 7 DG H4' ***** 6.410E+08 0.8 3.979E+06 2.127 2.640 0.513 * H2O_250ms.dat 3.850E+07 0.1 2.175E+06 2.474 2.679 0.205 * H2O_150ms.dat 7 DG H2' 7 DG H4' ***** 5.420E+07 1.2 3.000E+05 3.210 4.062 0.852 * H2O_250ms.dat 7 DG H2'' 7 DG H3' MEDIUM 6.750E+07 0.4 6.480E+05 3.095 3.573 0.478 m H2O_250ms.dat 1.010E+06 7.9 1.664E+04 3.283 3.705 0.422 m D2O_250ms.dat 5.850E+06 1.2 3.161E+05 3.074 3.413 0.339 m H2O_80ms.dat 1.280E+07 6.3 4.830E+05 2.972 3.443 0.471 m H2O_150ms.dat 8.100E+05 4.6 8.612E+03 2.891 3.647 0.756 m D2O_80ms.dat 8.380E+05 0.8 1.360E+04 3.122 3.605 0.483 m D2O_150ms.dat 7 DG H5'' 7 DG H8 WEAK 8.770E+06 15.9 1.786E+05 4.349 4.429 0.080 w H2O_250ms.dat 3.450E+05 0.0 3.932E+04 4.928 4.830 0.098 w H2O_80ms.dat 1.010E+06 4.9 6.750E+04 4.538 4.779 0.241 w H2O_150ms.dat 7 DG H2'' 8 DG H8 MEDIUM 7.610E+05 1.3 2.152E+04 3.442 3.550 0.108 m D2O_250ms.dat 5.610E+07 0.7 1.493E+06 3.192 3.109 0.083 m H2O_250ms.dat 9.510E+06 0.0 5.793E+05 2.835 3.085 0.250 m H2O_80ms.dat 1.590E+07 1.4 8.535E+05 2.867 3.131 0.264 m H2O_150ms.dat 3.810E+05 0.6 1.410E+04 3.278 3.359 0.081 m D2O_80ms.dat 7 DG H3' 7 DG H8 ***** 2.080E+07 2.9 4.881E+05 3.766 3.746 0.020 m H2O_250ms.dat 3.130E+05 5.1 1.284E+04 3.991 3.869 0.122 m D2O_250ms.dat 6.600E+05 2.3 6.531E+04 4.423 4.439 0.016 w H2O_80ms.dat 1.910E+06 6.3 1.700E+05 4.081 4.098 0.017 w H2O_150ms.dat 6.720E+04 0.6 2.742E+03 4.377 4.414 0.037 w D2O_80ms.dat 1.640E+05 4.3 6.019E+03 4.098 4.129 0.031 w D2O_150ms.dat 7 DG H5' 1 DG H1' MEDIUM 1.810E+07 2.4 4.952E+05 2.805 3.429 0.624 m H2O_150ms.dat 7 DG H5'' 6 DG H8 WEAK 1.070E+07 2.5 1.973E+05 4.207 4.356 0.149 w H2O_250ms.dat 5.960E+05 3.8 7.972E+04 4.955 4.649 0.306 w H2O_150ms.dat 7 DG H4' 6 DG H8 WEAK 3.410E+06 1.4 7.005E+04 5.091 5.177 0.086 w H2O_250ms.dat 7 DG H2'' 7 DG H8 MEDIUM 7.330E+05 1.2 2.219E+04 3.463 3.532 0.069 m D2O_250ms.dat 5.300E+07 5.2 1.220E+06 3.222 3.216 0.006 m H2O_250ms.dat 2.610E+05 1.3 7.815E+03 3.491 3.707 0.216 m D2O_80ms.dat 4.070E+05 0.7 1.406E+04 3.522 3.585 0.063 m D2O_150ms.dat 7 DG H4' 7 DG H3' MEDIUM 5.070E+07 3.0 5.672E+05 3.246 3.653 0.407 m H2O_250ms.dat 8.120E+05 0.4 1.641E+04 3.405 3.714 0.309 m D2O_250ms.dat 2.900E+06 1.6 1.925E+05 3.456 3.707 0.251 m H2O_80ms.dat 7.970E+06 3.0 3.563E+05 3.216 3.622 0.406 m H2O_150ms.dat 5.630E+05 1.2 1.015E+04 3.072 3.548 0.476 m D2O_80ms.dat 9.060E+05 3.8 1.616E+04 3.082 3.503 0.421 m D2O_150ms.dat 7 DG H2' 7 DG H8 MEDIUM 8.740E+07 5.2 1.946E+06 2.965 2.975 0.010 m H2O_250ms.dat 8.220E+05 3.3 2.093E+04 2.884 3.145 0.261 m D2O_80ms.dat 1.160E+06 0.4 2.507E+04 2.958 3.255 0.297 m D2O_150ms.dat 7 DG H4' 7 DG H8 WEAK 4.050E+06 1.1 8.858E+04 4.947 4.978 0.031 w H2O_250ms.dat 1.020E+06 3.0 3.119E+04 4.531 5.436 0.905 w H2O_150ms.dat 7 DG H4' 8 DG H8 WEAK 5.610E+06 4.7 1.076E+05 4.685 4.819 0.134 w H2O_250ms.dat 7 DG H2'' 7 DG H4' ***** 2.330E+05 1.2 4.618E+03 4.192 4.588 0.396 w D2O_250ms.dat 3.350E+06 1.6 6.166E+04 3.374 4.481 1.107 * H2O_80ms.dat 7 DG H2'' 7 DG H5'' ***** 2.250E+07 1.3 2.111E+05 3.717 4.307 0.590 * H2O_250ms.dat 4.690E+05 0.4 4.646E+04 4.682 4.698 0.016 w H2O_80ms.dat 7 DG H3' 8 DG H8 WEAK 1.520E+05 2.4 7.185E+03 4.502 4.262 0.240 w D2O_250ms.dat 1.380E+07 1.7 2.875E+05 4.033 4.091 0.058 w H2O_250ms.dat 4.790E+05 0.5 4.411E+04 4.665 4.739 0.074 w H2O_80ms.dat 8.520E+05 3.4 9.542E+04 4.669 4.512 0.157 w H2O_150ms.dat 7 DG H1' 8 DG H8 MEDIUM 3.570E+07 0.8 1.052E+06 3.442 3.296 0.146 m H2O_250ms.dat 5.360E+05 9.6 2.045E+04 3.649 3.580 0.069 m D2O_250ms.dat 2.770E+06 4.1 2.937E+05 3.482 3.455 0.027 m H2O_80ms.dat 5.290E+06 5.3 4.818E+05 3.444 3.445 0.001 m H2O_150ms.dat 2.400E+05 1.6 8.312E+03 3.541 3.669 0.128 m D2O_80ms.dat 3.170E+05 0.6 1.112E+04 3.671 3.728 0.057 m D2O_150ms.dat 7 DG H5' 7 DG H8 WEAK 4.010E+06 34.6 7.796E+04 4.955 5.085 0.130 w H2O_250ms.dat 7 DG H5'' 7 DG H3' MEDIUM 7.960E+07 0.7 7.947E+05 3.011 3.454 0.443 m H2O_250ms.dat 6.080E+06 2.0 3.377E+05 3.055 3.375 0.320 m H2O_80ms.dat 1.840E+07 8.1 5.800E+05 2.798 3.340 0.542 m H2O_150ms.dat 7 DG H2' 7 DG H3' MEDIUM 7.750E+07 0.6 7.071E+05 3.025 3.521 0.496 m H2O_250ms.dat 1.440E+06 0.5 2.002E+04 3.095 3.593 0.498 m D2O_250ms.dat 8.600E+06 18.7 4.614E+05 2.883 3.204 0.321 m H2O_80ms.dat 1.310E+07 6.5 6.916E+05 2.961 3.243 0.282 m H2O_150ms.dat 8.970E+05 7.2 1.149E+04 2.842 3.476 0.634 m D2O_80ms.dat 1.270E+06 2.3 1.396E+04 2.913 3.589 0.676 m D2O_150ms.dat 8 DG H5' 8 DG H4' ***** 4.950E+05 0.2 7.491E+03 3.697 4.232 0.535 * D2O_250ms.dat 1.220E+06 7.6 3.140E+05 4.397 3.699 0.698 * H2O_150ms.dat 8 DG H1' 8 DG H8 ***** 2.280E+05 3.0 6.906E+03 4.207 4.290 0.083 w D2O_250ms.dat 1.230E+07 1.7 3.045E+05 4.111 4.052 0.059 w H2O_250ms.dat 5.320E+05 8.0 8.291E+04 4.584 4.266 0.318 w H2O_80ms.dat 1.390E+06 1.0 1.569E+05 4.303 4.153 0.150 w H2O_150ms.dat 2.230E+05 0.7 3.984E+03 3.893 4.423 0.530 * D2O_150ms.dat 8 DG H2' 8 DG H3' ***** 1.430E+06 1.0 2.191E+04 3.098 3.539 0.441 m D2O_250ms.dat 2.150E+07 8.3 2.967E+05 3.745 4.070 0.325 * H2O_250ms.dat 1.890E+06 1.2 1.266E+04 2.726 3.648 0.922 m D2O_150ms.dat 8 DG H4' 8 DG H3' MEDIUM 1.070E+06 0.5 1.874E+04 3.252 3.633 0.381 m D2O_250ms.dat 3.620E+06 0.6 2.650E+05 3.330 3.515 0.185 m H2O_80ms.dat 3.960E+06 1.0 3.523E+05 3.614 3.629 0.015 m H2O_150ms.dat 7.650E+05 3.1 1.289E+04 2.919 3.410 0.491 m D2O_80ms.dat 4.940E+05 3.0 1.340E+04 3.410 3.614 0.204 m D2O_150ms.dat 8 DG H4' 9 DC H5 MEDIUM 5.860E+05 0.9 1.961E+04 3.595 3.605 0.010 m D2O_250ms.dat 8 DG H2' 8 DG H5' ***** 1.010E+08 0.8 2.662E+05 2.894 4.144 1.250 * H2O_250ms.dat 7.690E+06 1.2 1.641E+05 3.235 4.122 0.887 * H2O_150ms.dat 8 DG H2'' 8 DG H3' ***** 2.230E+07 5.6 2.645E+05 3.723 4.148 0.425 * H2O_250ms.dat 2.020E+06 0.3 1.284E+05 3.670 3.965 0.295 m H2O_80ms.dat 5.760E+06 1.4 2.577E+05 3.395 3.823 0.428 m H2O_150ms.dat 7.900E+05 5.1 9.489E+03 2.903 3.589 0.686 m D2O_80ms.dat 9.200E+05 1.2 1.390E+04 3.074 3.592 0.518 m D2O_150ms.dat 8 DG H5' 8 DG H3' MEDIUM 4.540E+06 0.4 3.334E+05 3.207 3.382 0.175 m H2O_80ms.dat 7.530E+06 0.9 4.890E+05 3.247 3.436 0.189 m H2O_150ms.dat 8 DG H3' 8 DG H8 ***** 2.920E+05 8.3 1.332E+04 4.037 3.845 0.192 * D2O_250ms.dat 2.010E+07 3.7 5.188E+05 3.788 3.708 0.080 m H2O_250ms.dat 1.870E+06 5.1 1.632E+05 4.095 4.126 0.031 w H2O_150ms.dat 8 DG H4' 8 DG H8 WEAK 7.450E+04 1.6 3.194E+03 5.070 4.879 0.191 w D2O_250ms.dat 5.340E+06 2.9 1.578E+05 4.724 4.521 0.203 w H2O_250ms.dat 3.850E+05 4.5 5.543E+04 5.329 4.939 0.390 w H2O_150ms.dat 1.790E+05 0.5 2.508E+03 4.038 4.778 0.740 w D2O_150ms.dat 8 DG H2' 8 DG H8 MEDIUM 1.220E+06 4.5 2.765E+04 3.181 3.404 0.223 m D2O_250ms.dat 8.910E+07 1.6 1.927E+06 2.955 2.980 0.025 m H2O_250ms.dat 5.850E+06 0.5 9.897E+05 3.074 2.822 0.252 m H2O_80ms.dat 1.480E+07 1.4 1.453E+06 2.901 2.865 0.036 m H2O_150ms.dat 5.510E+05 0.5 1.424E+04 3.083 3.354 0.271 m D2O_80ms.dat 8 DG H4' 8 DG H1' ***** 2.930E+05 2.0 6.636E+03 4.035 4.319 0.284 w D2O_250ms.dat 1.020E+06 6.6 7.791E+04 4.113 4.310 0.197 w H2O_80ms.dat 3.440E+06 8.0 1.269E+05 3.700 4.302 0.602 * H2O_150ms.dat 8 DG H2'' 8 DG H5'' ***** 3.990E+07 0.3 2.889E+05 3.379 4.088 0.709 * H2O_250ms.dat 8 DG H8 7 DG H8 WEAK 7.350E+06 0.4 1.776E+05 4.479 4.433 0.046 w H2O_250ms.dat 1.930E+06 1.1 7.110E+04 4.074 4.738 0.664 w H2O_150ms.dat 8 DG H2' 8 DG H5'' ***** 7.280E+07 0.4 1.046E+05 3.056 4.842 1.786 * H2O_250ms.dat 2.650E+06 2.3 6.062E+04 3.864 4.866 1.002 * H2O_150ms.dat 8 DG H5' 8 DG H8 ***** 1.380E+07 0.5 3.968E+05 4.033 3.877 0.156 * H2O_250ms.dat 8.380E+05 1.2 1.132E+05 4.250 4.050 0.200 w H2O_80ms.dat 1.850E+06 0.6 1.981E+05 4.103 3.994 0.109 * H2O_150ms.dat 8.770E+04 0.5 2.525E+03 4.548 4.773 0.225 w D2O_150ms.dat 9 DC H5'' 9 DC H4' MEDIUM 1.810E+06 6.7 1.697E+05 3.738 3.786 0.048 m H2O_80ms.dat 1.030E+06 2.5 7.405E+03 2.777 3.740 0.963 m D2O_80ms.dat 6.930E+05 3.1 8.292E+03 3.223 3.915 0.692 m D2O_150ms.dat 9 DC H5' 9 DC H4' ***** 1.140E+07 0.1 3.412E+05 4.163 3.976 0.187 * H2O_250ms.dat 5.560E+05 4.2 6.957E+04 5.013 4.755 0.258 w H2O_150ms.dat 2.930E+05 2.5 8.127E+03 3.425 3.683 0.258 m D2O_80ms.dat 1.710E+05 0.6 4.698E+03 4.069 4.304 0.235 w D2O_150ms.dat 9 DC H5'' 10 DA H8 WEAK 7.600E+04 1.9 3.403E+03 5.053 4.827 0.226 w D2O_250ms.dat 6.170E+06 3.1 1.432E+05 4.612 4.595 0.017 w H2O_250ms.dat 4.590E+05 1.7 5.616E+04 5.175 4.928 0.247 w H2O_150ms.dat 9 DC H3' 9 DC H1' ***** 3.500E+05 6.2 4.842E+03 3.917 4.552 0.635 * D2O_250ms.dat 5.670E+05 0.2 3.841E+04 4.536 4.849 0.313 w H2O_80ms.dat 1.430E+06 4.6 7.475E+04 4.282 4.699 0.417 w H2O_150ms.dat 1.270E+05 0.8 3.840E+03 4.276 4.451 0.175 w D2O_150ms.dat 9 DC H5'' 8 DG H8 WEAK 3.860E+06 0.7 8.195E+04 4.986 5.043 0.057 w H2O_250ms.dat 9 DC H4' 10 DA H8 WEAK 5.310E+06 3.0 1.732E+05 4.728 4.452 0.276 w H2O_250ms.dat 2.760E+05 0.0 4.296E+04 5.114 4.760 0.354 w H2O_80ms.dat 9 DC H5'' 9 DC H3' MEDIUM 6.380E+05 8.1 9.234E+03 3.008 3.605 0.597 m D2O_80ms.dat 2.010E+06 4.6 9.449E+03 2.699 3.830 1.131 m D2O_150ms.dat 9 DC H1' 10 DA H8 WEAK 8.940E+04 1.7 4.718E+03 4.918 4.571 0.347 w D2O_250ms.dat 9.400E+06 0.1 2.769E+05 4.299 4.117 0.182 w H2O_250ms.dat 9 DC H2' 10 DA H8 MEDIUM 3.700E+07 0.4 7.520E+05 3.421 3.485 0.064 m H2O_250ms.dat 5.880E+06 0.1 2.749E+05 3.072 3.493 0.421 m H2O_80ms.dat 6.030E+05 1.9 8.067E+03 3.037 3.687 0.650 m D2O_80ms.dat 9 DC H3' 10 DA H8 MEDIUM 6.530E+05 0.5 1.578E+04 3.531 3.738 0.207 m D2O_250ms.dat 3.110E+07 5.2 1.030E+06 3.522 3.308 0.214 m H2O_250ms.dat 1.750E+06 5.4 3.499E+05 3.759 3.355 0.404 m H2O_80ms.dat 1.840E+05 8.9 9.979E+03 3.701 3.559 0.142 m D2O_80ms.dat 3.750E+05 1.9 1.524E+04 3.570 3.537 0.033 m D2O_150ms.dat 9 DC H4' 9 DC H1' WEAK 2.730E+05 6.0 5.137E+03 4.083 4.507 0.424 w D2O_250ms.dat 1.560E+06 3.2 1.314E+05 4.221 4.277 0.056 w H2O_150ms.dat 9 DC H2'' 10 DA H8 MEDIUM 4.500E+07 2.5 9.948E+05 3.311 3.327 0.016 m H2O_250ms.dat 3.500E+05 4.2 9.273E+03 3.325 3.602 0.277 m D2O_80ms.dat 6.650E+05 1.1 1.454E+04 3.245 3.565 0.320 m D2O_150ms.dat 9 DC H2'' 10 DA H5'' ***** 1.980E+07 0.6 1.277E+05 3.797 4.684 0.887 * H2O_250ms.dat 1.040E+06 2.9 6.512E+04 4.516 4.808 0.292 w H2O_150ms.dat 9 DC H4' 9 DC H3' MEDIUM 9.900E+05 0.5 1.591E+04 3.294 3.733 0.439 m D2O_250ms.dat 10 DA H5' 10 DA H8 ***** 1.220E+07 0.8 4.192E+05 4.116 3.842 0.274 * H2O_250ms.dat 1.900E+05 1.6 6.435E+03 4.337 4.341 0.004 w D2O_250ms.dat 1.290E+06 2.2 1.208E+05 3.955 4.006 0.051 * H2O_80ms.dat 2.110E+06 7.0 1.829E+05 4.014 4.048 0.034 w H2O_150ms.dat 1.230E+05 5.3 5.111E+03 3.958 3.978 0.020 m D2O_80ms.dat 1.440E+05 1.8 4.827E+03 4.187 4.284 0.097 w D2O_150ms.dat 10 DA H2' 10 DA H1' MEDIUM 9.450E+05 8.3 1.135E+04 3.320 3.949 0.629 m D2O_250ms.dat 10 DA H5'' 11 DG H8 WEAK 1.420E+05 3.5 3.754E+03 4.553 4.749 0.196 w D2O_250ms.dat 9.910E+06 0.0 9.606E+04 4.261 4.911 0.650 w H2O_250ms.dat 1.790E+05 0.0 2.954E+04 5.497 5.066 0.431 w H2O_80ms.dat 6.110E+05 0.7 7.099E+04 4.935 4.740 0.195 w H2O_150ms.dat 5.460E+04 0.5 2.877E+03 4.922 4.670 0.252 w D2O_150ms.dat 10 DA H5'' 10 DA H8 WEAK 9.240E+06 0.1 2.805E+05 4.311 4.108 0.203 w H2O_250ms.dat 2.100E+05 4.0 4.325E+03 4.265 4.638 0.373 w D2O_250ms.dat 5.320E+05 0.9 5.704E+04 4.584 4.540 0.044 w H2O_80ms.dat 1.520E+06 3.3 1.469E+05 4.239 4.198 0.041 w H2O_150ms.dat 4.850E+04 0.3 2.648E+03 4.622 4.439 0.183 w D2O_80ms.dat 1.200E+05 2.5 3.597E+03 4.317 4.499 0.182 w D2O_150ms.dat 10 DA H2' 10 DA H3' MEDIUM 1.310E+06 9.4 1.814E+04 3.144 3.652 0.508 m D2O_250ms.dat 9.070E+05 0.9 1.059E+04 2.837 3.523 0.686 m D2O_80ms.dat 1.140E+06 8.4 1.355E+04 2.966 3.607 0.641 m D2O_150ms.dat 10 DA H2' 10 DA H5'' WEAK 7.100E+05 0.2 4.690E+04 4.813 5.079 0.266 w H2O_150ms.dat 10 DA H3' 10 DA H8 ***** 1.030E+07 2.8 3.343E+05 4.234 3.990 0.244 * H2O_250ms.dat 6.930E+04 0.1 2.346E+03 4.355 4.530 0.175 w D2O_80ms.dat 7.250E+04 0.3 3.631E+03 4.695 4.492 0.203 w D2O_150ms.dat 10 DA H2'' 10 DA H4' WEAK 8.880E+06 0.4 1.236E+05 4.340 4.709 0.369 w H2O_250ms.dat 4.870E+05 0.0 4.890E+04 5.125 5.043 0.082 w H2O_150ms.dat 2.350E+04 0.0 1.322E+03 5.665 5.316 0.349 w D2O_150ms.dat 10 DA H5' 10 DA H5'' ***** 3.410E+06 2.4 3.416E+04 2.275 2.899 0.624 * D2O_80ms.dat 10 DA H2' 10 DA H4' WEAK 7.350E+05 3.5 4.108E+04 4.344 4.795 0.451 w H2O_80ms.dat 6.640E+05 2.2 6.542E+04 4.867 4.804 0.063 w H2O_150ms.dat 10 DA H4' 10 DA H1' WEAK 2.480E+05 6.2 4.837E+03 4.149 4.552 0.403 w D2O_250ms.dat 7.180E+04 0.5 4.547E+03 4.702 4.327 0.375 w D2O_150ms.dat 10 DA H5'' 10 DA H3' MEDIUM 1.330E+06 0.6 1.572E+04 3.136 3.741 0.605 m D2O_250ms.dat 6.850E+05 0.4 1.096E+04 2.973 3.504 0.531 m D2O_80ms.dat 1.180E+06 1.1 1.340E+04 2.949 3.614 0.665 m D2O_150ms.dat 10 DA H5' 10 DA H4' MEDIUM 1.080E+08 0.7 1.680E+06 2.862 3.048 0.186 m H2O_250ms.dat 1.400E+07 4.1 9.046E+05 2.928 3.101 0.173 m H2O_150ms.dat 1.130E+06 2.2 2.070E+04 2.735 3.151 0.416 m D2O_80ms.dat 10 DA H1' 10 DA H8 ***** 1.360E+07 5.4 3.755E+05 4.042 3.913 0.129 * H2O_250ms.dat 2.680E+06 1.1 1.138E+05 3.857 4.381 0.524 * H2O_150ms.dat 1.170E+05 0.3 2.478E+03 3.991 4.489 0.498 * D2O_80ms.dat 10 DA H1' 10 DA H2 WEAK 4.110E+06 2.2 1.247E+05 4.935 4.702 0.233 w H2O_250ms.dat 2.960E+05 0.5 3.275E+04 5.055 4.980 0.075 w H2O_80ms.dat 3.830E+05 0.3 4.237E+04 5.334 5.165 0.169 w H2O_150ms.dat 10 DA H2'' 10 DA H8 ***** 3.820E+05 6.5 1.153E+04 3.861 3.939 0.078 m D2O_250ms.dat 2.240E+07 1.5 6.590E+05 3.720 3.563 0.157 m H2O_250ms.dat 4.820E+06 6.2 5.836E+04 3.175 4.523 1.348 * H2O_80ms.dat 1.120E+05 0.9 4.452E+03 4.020 4.071 0.051 w D2O_80ms.dat 2.080E+05 0.0 6.429E+03 3.939 4.084 0.145 * D2O_150ms.dat 10 DA H4' 11 DG H8 WEAK 1.180E+05 4.7 4.919E+03 4.696 4.540 0.156 w D2O_250ms.dat 7.740E+06 1.1 1.671E+05 4.441 4.478 0.037 w H2O_250ms.dat 9.210E+05 3.5 6.662E+04 4.608 4.790 0.182 w H2O_150ms.dat 8.410E+04 3.2 2.747E+03 4.217 4.412 0.195 w D2O_80ms.dat 1.150E+05 0.6 3.929E+03 4.347 4.434 0.087 w D2O_150ms.dat 10 DA H4' 10 DA H8 WEAK 5.530E+06 2.0 1.888E+05 4.696 4.388 0.308 w H2O_250ms.dat 1.890E+05 2.4 3.565E+04 5.447 4.910 0.537 w H2O_80ms.dat 5.690E+05 1.4 6.656E+04 4.993 4.791 0.202 w H2O_150ms.dat 10 DA H4' 10 DA H3' MEDIUM 6.960E+05 7.5 1.570E+04 3.493 3.741 0.248 m D2O_250ms.dat 4.050E+05 0.0 8.829E+03 3.245 3.632 0.387 m D2O_80ms.dat 6.750E+05 8.1 1.329E+04 3.237 3.619 0.382 m D2O_150ms.dat 10 DA H5'' 9 DC H1' WEAK 8.720E+04 0.0 3.245E+04 6.197 4.987 1.210 w H2O_80ms.dat 1.030E+06 4.8 5.540E+04 4.523 4.939 0.416 w H2O_150ms.dat 10 DA H2'' 10 DA H1' MEDIUM 1.370E+06 7.9 1.670E+04 3.120 3.703 0.583 m D2O_250ms.dat 10 DA H2'' 10 DA H3' MEDIUM 1.230E+06 6.6 1.599E+04 3.177 3.730 0.553 m D2O_250ms.dat 8.960E+05 7.0 1.141E+04 3.088 3.712 0.624 m D2O_150ms.dat 10 DA H3' 10 DA H1' WEAK 9.870E+05 2.6 4.999E+04 4.555 5.025 0.470 w H2O_150ms.dat 10 DA H5' 10 DA H3' ***** 4.450E+05 3.7 8.476E+03 3.764 4.146 0.382 * D2O_250ms.dat 7.390E+05 1.6 6.576E+03 3.188 4.069 0.881 * D2O_150ms.dat 10 DA H2' 10 DA H8 MEDIUM 4.150E+07 4.6 1.069E+06 3.356 3.287 0.069 m H2O_250ms.dat 6.320E+05 8.0 1.987E+04 3.550 3.597 0.047 m D2O_250ms.dat 3.160E+06 6.3 3.954E+05 3.407 3.288 0.119 m H2O_80ms.dat 6.570E+06 3.6 6.351E+05 3.321 3.289 0.032 m H2O_150ms.dat 3.570E+05 4.0 1.017E+04 3.314 3.548 0.234 m D2O_80ms.dat 4.850E+05 1.0 1.389E+04 3.420 3.592 0.172 m D2O_150ms.dat 10 DA H5' 11 DG H8 ***** 6.300E+06 1.7 1.819E+05 4.596 4.416 0.180 w H2O_250ms.dat 1.080E+05 2.9 3.794E+03 4.765 4.741 0.024 w D2O_250ms.dat 3.630E+05 0.2 6.240E+04 4.886 4.472 0.414 w H2O_80ms.dat 1.150E+06 6.2 8.280E+04 4.441 4.620 0.179 w H2O_150ms.dat 1.360E+05 2.2 2.371E+03 3.892 4.522 0.630 * D2O_80ms.dat 9.540E+04 1.8 3.072E+03 4.485 4.619 0.134 w D2O_150ms.dat 10 DA H5' 9 DC H1' WEAK 1.090E+07 2.5 1.005E+05 4.194 4.875 0.681 w H2O_250ms.dat 1.960E+05 0.2 3.247E+04 5.415 4.987 0.428 w H2O_80ms.dat 1.550E+06 1.8 4.753E+04 4.225 5.067 0.842 w H2O_150ms.dat 11 DG H2'' 11 DG H1' MEDIUM 1.840E+06 2.1 1.716E+04 2.971 3.686 0.715 m D2O_250ms.dat 11 DG H2' 11 DG H8 ***** 1.270E+05 2.8 3.275E+03 4.638 4.858 0.220 w D2O_250ms.dat 1.570E+07 11.4 3.058E+05 3.947 4.049 0.102 * H2O_250ms.dat 4.040E+04 0.3 2.119E+03 4.765 4.607 0.158 w D2O_80ms.dat 11 DG H4' 10 DA H1' WEAK 1.970E+05 0.5 3.653E+04 5.959 5.295 0.664 w H2O_150ms.dat 11 DG H8 1 DG H8 WEAK 3.290E+06 3.5 1.072E+05 5.121 4.823 0.298 w H2O_250ms.dat 1.730E+05 2.9 5.006E+04 5.528 4.640 0.888 w H2O_80ms.dat 1.360E+06 1.8 9.304E+04 4.318 4.531 0.213 w H2O_150ms.dat 11 DG H1' 11 DG H8 MEDIUM 9.160E+07 5.5 2.243E+06 2.942 2.905 0.037 m H2O_250ms.dat 1.420E+06 5.3 4.779E+04 3.102 3.108 0.006 m D2O_250ms.dat 7.780E+06 8.1 9.334E+05 2.932 2.849 0.083 m H2O_80ms.dat 1.400E+07 24.2 1.450E+06 2.928 2.867 0.061 m H2O_150ms.dat 5.500E+05 7.4 2.294E+04 3.084 3.098 0.014 m D2O_80ms.dat 1.080E+06 3.8 3.223E+04 2.993 3.122 0.129 m D2O_150ms.dat 11 DG H2'' 11 DG H8 WEAK 1.480E+05 5.2 4.933E+03 4.522 4.538 0.016 w D2O_250ms.dat 9.530E+06 1.8 1.778E+05 4.289 4.432 0.143 w H2O_250ms.dat 2.340E+05 0.0 3.135E+04 5.257 5.016 0.241 w H2O_80ms.dat 8.760E+05 1.7 6.494E+04 4.647 4.810 0.163 w H2O_150ms.dat 3.990E+04 0.1 1.927E+03 5.186 4.993 0.193 w D2O_150ms.dat 11 DG H2' 1 DG H5'' WEAK 5.370E+05 0.7 4.965E+04 4.577 4.646 0.069 w H2O_80ms.dat 12 DG H2' 12 DG H1' ***** 6.780E+05 4.8 8.317E+03 3.509 4.159 0.650 * D2O_250ms.dat 12 DG H2' 12 DG H8 MEDIUM 1.000E+08 2.9 1.546E+06 2.899 3.091 0.192 m H2O_250ms.dat 8.190E+05 5.1 1.644E+04 3.400 3.713 0.313 m D2O_250ms.dat 1.170E+07 18.6 7.229E+05 2.739 2.973 0.234 m H2O_80ms.dat 1.630E+07 9.7 1.012E+06 2.855 3.044 0.189 m H2O_150ms.dat 5.190E+05 4.3 8.098E+03 3.113 3.685 0.572 m D2O_80ms.dat 5.560E+05 2.1 1.023E+04 3.343 3.780 0.437 m D2O_150ms.dat 12 DG H3' 12 DG H1' WEAK 1.950E+06 3.6 6.184E+04 4.067 4.850 0.783 w H2O_150ms.dat 12 DG H8 19 DA H8 WEAK 4.260E+06 2.0 1.025E+05 4.905 4.859 0.046 w H2O_250ms.dat 5.540E+05 0.2 3.430E+04 4.554 4.941 0.387 w H2O_80ms.dat 1.150E+06 2.8 7.416E+04 4.441 4.705 0.264 w H2O_150ms.dat 12 DG H4' 13 DG H8 WEAK 2.920E+05 2.9 3.846E+03 4.037 4.730 0.693 w D2O_250ms.dat 12 DG H1' 12 DG H8 ***** 2.360E+05 2.3 8.346E+03 4.183 4.157 0.026 w D2O_250ms.dat 1.340E+07 0.6 3.274E+05 4.052 4.004 0.048 w H2O_250ms.dat 1.220E+06 2.7 5.994E+04 3.992 4.502 0.510 * H2O_80ms.dat 6.370E+04 1.1 2.736E+03 4.417 4.415 0.002 w D2O_80ms.dat 12 DG H4' 12 DG H3' ***** 3.200E+06 0.3 1.867E+05 3.744 4.034 0.290 * H2O_150ms.dat 12 DG H2'' 12 DG H1' MEDIUM 1.770E+06 1.2 1.799E+04 2.990 3.657 0.667 m D2O_250ms.dat 3.210E+06 159.9 7.359E+05 3.743 3.210 0.533 m H2O_150ms.dat 12 DG H2'' 12 DG H8 ***** 8.010E+05 9.0 1.599E+04 3.412 3.730 0.318 m D2O_250ms.dat 4.930E+07 1.0 8.701E+05 3.262 3.402 0.140 m H2O_250ms.dat 2.420E+06 24.5 2.370E+05 3.562 3.580 0.018 m H2O_80ms.dat 5.540E+06 2.2 5.267E+05 3.417 3.394 0.023 m H2O_150ms.dat 3.620E+05 1.3 5.962E+03 3.591 4.136 0.545 * D2O_150ms.dat 12 DG H4' 12 DG H8 WEAK 7.260E+06 0.6 1.427E+05 4.488 4.598 0.110 w H2O_250ms.dat 4.700E+05 1.8 5.810E+04 5.155 4.900 0.255 w H2O_150ms.dat 12 DG H3' 12 DG H8 ***** 2.450E+07 5.6 3.588E+05 3.665 3.943 0.278 m H2O_250ms.dat 3.790E+05 3.3 8.180E+03 3.866 4.171 0.305 * D2O_250ms.dat 1.150E+06 3.0 1.235E+05 4.032 3.992 0.040 * H2O_80ms.dat 2.440E+06 1.4 2.208E+05 3.918 3.923 0.005 m H2O_150ms.dat 2.400E+05 1.6 3.130E+03 3.541 4.317 0.776 * D2O_80ms.dat 2.980E+05 1.0 5.509E+03 3.709 4.191 0.482 * D2O_150ms.dat 12 DG H4' 12 DG H1' MEDIUM 7.810E+07 3987.9 5.576E+05 3.021 3.664 0.643 m H2O_250ms.dat 12 DG H8 13 DG H8 ***** 9.380E+06 7.9 2.034E+05 4.301 4.334 0.033 w H2O_250ms.dat 1.250E+06 0.4 1.000E+05 3.976 4.134 0.158 * H2O_80ms.dat 1.470E+06 2.7 1.375E+05 4.263 4.245 0.018 w H2O_150ms.dat 12 DG H2' 19 DA H8 WEAK 5.690E+06 0.7 8.189E+04 4.674 5.044 0.370 w H2O_250ms.dat 5.410E+05 0.5 4.520E+04 4.572 4.719 0.147 w H2O_80ms.dat 12 DG H2'' 12 DG H4' MEDIUM 4.100E+06 39.5 1.646E+05 3.262 3.805 0.543 m H2O_80ms.dat 13 DG H22 21 DG H8 WEAK 5.070E+05 0.7 4.300E+04 4.621 4.759 0.138 w H2O_80ms.dat 13 DG H2'' 14 DG H8 MEDIUM 8.790E+05 1.8 2.328E+04 3.360 3.504 0.144 m D2O_250ms.dat 4.170E+07 14.5 1.370E+06 3.354 3.154 0.200 m H2O_250ms.dat 5.340E+05 1.6 1.516E+04 3.099 3.319 0.220 m D2O_80ms.dat 1.290E+06 0.0 2.093E+04 2.906 3.355 0.449 m D2O_150ms.dat 13 DG H3' 14 DG H8 WEAK 1.670E+05 4.8 4.814E+03 4.432 4.556 0.124 w D2O_250ms.dat 1.030E+07 0.2 2.103E+05 4.234 4.310 0.076 w H2O_250ms.dat 13 DG H1' 12 DG H8 WEAK 9.520E+04 0.3 2.646E+03 4.867 5.034 0.167 w D2O_250ms.dat 3.690E+06 2.4 7.882E+04 5.024 5.076 0.052 w H2O_250ms.dat 3.980E+05 3.2 4.475E+04 4.812 4.727 0.085 w H2O_80ms.dat 7.840E+05 1.1 7.041E+04 4.734 4.746 0.012 w H2O_150ms.dat 1.450E+05 2.0 3.440E+03 4.183 4.533 0.350 w D2O_150ms.dat 13 DG H2'' 13 DG H3' MEDIUM 7.030E+05 1.5 1.238E+04 3.487 3.892 0.405 m D2O_250ms.dat 4.560E+05 1.3 8.984E+03 3.181 3.621 0.440 m D2O_80ms.dat 1.180E+06 0.3 1.087E+04 2.949 3.742 0.793 m D2O_150ms.dat 13 DG H1' 14 DG H8 MEDIUM 2.250E+07 0.0 5.544E+05 3.717 3.667 0.050 m H2O_250ms.dat 4.080E+05 5.6 1.347E+04 3.819 3.838 0.019 m D2O_250ms.dat 1.620E+06 4.7 1.994E+05 3.808 3.685 0.123 m H2O_80ms.dat 3.240E+06 6.9 3.337E+05 3.737 3.662 0.075 m H2O_150ms.dat 3.830E+05 0.9 5.676E+03 3.275 3.910 0.635 m D2O_80ms.dat 3.230E+05 0.9 1.186E+04 3.660 3.688 0.028 m D2O_150ms.dat 13 DG H2'' 13 DG H1' MEDIUM 1.890E+06 1.4 1.408E+04 2.958 3.810 0.852 m D2O_250ms.dat 13 DG H2'' 13 DG H8 MEDIUM 6.520E+05 0.4 1.818E+04 3.532 3.651 0.119 m D2O_250ms.dat 5.140E+07 0.2 7.201E+05 3.239 3.511 0.272 m H2O_250ms.dat 6.010E+05 0.1 1.176E+04 3.300 3.693 0.393 m D2O_150ms.dat 13 DG H2' 13 DG H1' ***** 7.280E+05 2.7 7.173E+03 3.467 4.263 0.796 * D2O_250ms.dat 13 DG H3' 13 DG H1' WEAK 1.170E+06 7.3 6.720E+04 4.428 4.783 0.355 w H2O_150ms.dat 13 DG H2' 13 DG H8 MEDIUM 7.260E+05 1.4 2.066E+04 3.469 3.574 0.105 m D2O_250ms.dat 7.530E+07 0.3 1.170E+06 3.039 3.238 0.199 m H2O_250ms.dat 5.980E+06 0.1 6.150E+05 3.063 3.054 0.009 m H2O_80ms.dat 4.360E+05 10.2 1.331E+04 3.205 3.392 0.187 m D2O_80ms.dat 13 DG H4' 14 DG H8 ***** 4.330E+06 3.6 1.009E+05 4.892 4.871 0.021 w H2O_250ms.dat 3.850E+06 0.4 3.766E+04 3.631 5.268 1.637 * H2O_150ms.dat 13 DG H3' 13 DG H8 ***** 1.960E+07 8.3 3.811E+05 3.803 3.903 0.100 m H2O_250ms.dat 1.100E+06 8.7 1.028E+05 4.062 4.115 0.053 w H2O_80ms.dat 13 DG H2' 13 DG H3' MEDIUM 9.670E+05 7.3 1.154E+04 3.307 3.938 0.631 m D2O_250ms.dat 1.150E+06 10.0 1.043E+04 2.727 3.533 0.806 m D2O_80ms.dat 1.650E+06 0.7 1.186E+04 2.789 3.688 0.899 m D2O_150ms.dat 13 DG H4' 15/17 DA H2 WEAK 4.780E+06 0.9 8.715E+04 4.812 4.992 0.180 w H2O_250ms.dat 1.190E+06 2.2 5.162E+04 4.416 4.998 0.582 w H2O_150ms.dat 13 DG H4' 13 DG H1' ***** 1.000E+06 6.3 1.162E+04 3.289 3.934 0.645 m D2O_250ms.dat 5.430E+06 3.9 1.092E+05 3.113 4.074 0.961 * H2O_80ms.dat 13 DG H2' 13 DG Q5' WEAK 6.170E+05 0.2 6.312E+04 4.473 4.464 0.009 w H2O_80ms.dat 13 DG H5'' 13 DG H3' MEDIUM 1.730E+06 0.0 1.091E+04 3.001 3.975 0.974 m D2O_250ms.dat 13 DG H5' 13 DG H5'' MEDIUM 2.700E+07 0.3 1.559E+06 2.624 2.832 0.208 m H2O_150ms.dat 1.370E+06 3.6 1.753E+04 2.877 3.455 0.578 m D2O_150ms.dat 13 DG H1' 13 DG H8 ***** 2.330E+05 5.3 8.634E+03 4.192 4.133 0.059 w D2O_250ms.dat 5.800E+06 3.5 2.998E+05 4.659 4.063 0.596 w H2O_250ms.dat 1.920E+06 0.6 1.666E+05 4.077 4.111 0.034 w H2O_150ms.dat 1.980E+05 0.2 4.824E+03 3.971 4.285 0.314 * D2O_150ms.dat 13 DG H2' 14 DG H8 ***** 4.100E+05 2.1 1.035E+04 3.815 4.011 0.196 * D2O_250ms.dat 2.150E+07 7.3 4.775E+05 3.745 3.760 0.015 m H2O_250ms.dat 2.300E+05 0.5 4.541E+03 3.566 4.058 0.492 * D2O_80ms.dat 4.470E+05 0.4 7.275E+03 3.467 4.001 0.534 * D2O_150ms.dat 13 DG H4' 13 DG H3' MEDIUM 9.630E+05 0.2 1.211E+04 3.309 3.907 0.598 m D2O_250ms.dat 13 DG H2' 13 DG H4' WEAK 1.380E+06 0.1 8.623E+04 4.308 4.588 0.280 w H2O_150ms.dat 14 DG H5'' 15 DA H8 WEAK 8.870E+06 0.4 8.814E+04 4.341 4.982 0.641 w H2O_250ms.dat 4.320E+05 0.0 4.507E+04 4.746 4.722 0.024 w H2O_80ms.dat 14 DG H5' 14 DG H4' MEDIUM 1.060E+08 3.5 1.112E+06 2.871 3.265 0.394 m H2O_250ms.dat 14 DG H1' 17 DA H2 WEAK 4.650E+05 7.9 8.559E+04 4.688 4.243 0.445 w H2O_80ms.dat 14 DG H3' 14 DG H8 WEAK 1.670E+05 1.6 7.092E+03 4.085 4.018 0.067 w D2O_150ms.dat 14 DG Q2' 15 DA H2 WEAK 3.210E+06 0.0 6.049E+04 5.142 5.305 0.163 w H2O_250ms.dat 14 DG Q2' 14 DG H4' ***** 2.090E+07 3.1 2.288E+05 3.763 4.250 0.487 * H2O_250ms.dat 4.940E+05 1.8 5.429E+04 4.641 4.577 0.064 w H2O_80ms.dat 1.650E+06 0.9 1.301E+05 4.182 4.284 0.102 w H2O_150ms.dat 14 DG H8 15 DA H2 WEAK 5.570E+05 3.3 6.980E+04 4.549 4.390 0.159 w H2O_80ms.dat 14 DG H5'' 14 DG H4' MEDIUM 7.880E+07 5.6 8.860E+05 3.016 3.392 0.376 m H2O_250ms.dat 8.010E+05 3.2 1.143E+04 2.896 3.479 0.583 m D2O_80ms.dat 14 DG Q2' 14 DG H8 MEDIUM 1.560E+06 6.5 3.882E+04 3.054 3.217 0.163 m D2O_250ms.dat 1.240E+08 5.8 3.065E+06 2.797 2.758 0.039 m H2O_250ms.dat 8.680E+05 4.8 2.558E+04 2.858 3.042 0.184 m D2O_80ms.dat 1.190E+06 4.0 4.489E+04 2.945 2.954 0.009 m D2O_150ms.dat 14 DG H4' 15 DA H2 WEAK 6.460E+06 6.6 1.174E+05 4.576 4.750 0.174 w H2O_250ms.dat 4.510E+05 1.6 5.270E+04 5.191 4.981 0.210 w H2O_150ms.dat 14 DG H5'' 14 DG H5' ***** 3.660E+06 9.3 3.691E+04 2.248 2.862 0.614 * D2O_80ms.dat 14 DG H1' 15 DA H2 ***** 3.090E+05 1.4 4.779E+03 4.000 4.562 0.562 * D2O_250ms.dat 9.380E+06 1.9 2.690E+05 4.301 4.137 0.164 w H2O_250ms.dat 1.150E+06 0.2 1.633E+05 4.441 4.125 0.316 w H2O_150ms.dat 5.530E+04 0.5 3.424E+03 4.522 4.253 0.269 w D2O_80ms.dat 2.220E+05 0.2 5.847E+03 3.896 4.149 0.253 * D2O_150ms.dat 14 DG H4' 15 DA H8 WEAK 9.680E+06 6.2 1.811E+05 4.278 4.419 0.141 w H2O_250ms.dat 1.200E+05 4.9 4.975E+03 4.682 4.531 0.151 w D2O_250ms.dat 8.380E+05 2.0 9.965E+04 4.250 4.137 0.113 w H2O_80ms.dat 1.860E+06 7.3 1.655E+05 4.099 4.116 0.017 w H2O_150ms.dat 7.950E+04 0.7 2.744E+03 4.256 4.413 0.157 w D2O_80ms.dat 1.720E+05 4.2 4.217E+03 4.065 4.382 0.317 w D2O_150ms.dat 14 DG H5' 15 DA H2 WEAK 4.370E+05 1.7 3.124E+04 5.218 5.434 0.216 w H2O_150ms.dat 14 DG H5' 15 DA H8 WEAK 4.280E+06 2.5 7.415E+04 4.901 5.128 0.227 w H2O_250ms.dat 6.440E+05 5.4 3.675E+04 4.891 5.289 0.398 w H2O_150ms.dat 14 DG H4' 14 DG H8 WEAK 3.590E+04 0.0 2.583E+03 5.726 5.054 0.672 w D2O_250ms.dat 3.450E+06 0.4 1.120E+05 5.081 4.787 0.294 w H2O_250ms.dat 3.710E+05 3.3 4.942E+04 5.362 5.034 0.328 w H2O_150ms.dat 4.440E+04 0.0 2.390E+03 4.690 4.516 0.174 w D2O_80ms.dat 14 DG H5' 14 DG H1' WEAK 7.760E+04 0.5 2.788E+03 5.035 4.990 0.045 w D2O_250ms.dat 14 DG H1' 14 DG H8 ***** 1.270E+07 1.9 3.833E+05 4.089 3.900 0.189 * H2O_250ms.dat 2.400E+05 3.3 7.514E+03 4.172 4.230 0.058 w D2O_250ms.dat 8.390E+05 3.0 9.347E+04 4.249 4.181 0.068 w H2O_80ms.dat 1.530E+06 5.3 1.993E+05 4.235 3.990 0.245 * H2O_150ms.dat 1.650E+05 4.6 3.581E+03 3.769 4.221 0.452 * D2O_80ms.dat 1.420E+05 1.3 6.672E+03 4.197 4.059 0.138 w D2O_150ms.dat 14 DG H5' 14 DG H8 WEAK 1.390E+05 1.6 2.853E+03 4.569 4.971 0.402 w D2O_250ms.dat 6.300E+06 2.5 1.657E+05 4.596 4.485 0.111 w H2O_250ms.dat 3.450E+05 2.1 3.713E+04 4.928 4.877 0.051 w H2O_80ms.dat 7.330E+04 0.4 2.801E+03 4.314 4.398 0.084 w D2O_80ms.dat 14 DG Q2' 14 DG H1' MEDIUM 1.510E+06 1.6 2.246E+04 3.070 3.524 0.454 m D2O_250ms.dat 14 DG H4' 14 DG H1' ***** 4.900E+05 2.9 6.979E+03 3.704 4.283 0.579 * D2O_250ms.dat 1.210E+06 1.6 7.611E+04 3.998 4.327 0.329 * H2O_80ms.dat 1.540E+06 5.2 1.510E+05 4.230 4.180 0.050 w H2O_150ms.dat 14 DG H5'' 14 DG H8 WEAK 5.840E+06 27.0 1.825E+05 4.654 4.413 0.241 w H2O_250ms.dat 15 DA H2'' 15 DA H1' MEDIUM 2.080E+06 2.0 2.498E+04 2.911 3.463 0.552 m D2O_250ms.dat 15 DA H4' 15 DA H1' ***** 5.910E+05 3.7 9.668E+03 3.590 4.056 0.466 * D2O_250ms.dat 15 DA H2'' 15 DA H8 ***** 6.590E+05 5.4 1.692E+04 3.525 3.695 0.170 m D2O_250ms.dat 2.810E+07 5.9 4.737E+05 3.582 3.765 0.183 m H2O_250ms.dat 8.790E+05 2.0 1.483E+05 4.216 3.872 0.344 * H2O_80ms.dat 3.750E+06 3.3 3.016E+05 3.647 3.724 0.077 m H2O_150ms.dat 3.480E+05 0.5 6.516E+03 3.615 4.075 0.460 * D2O_150ms.dat 15 DA H2'' 15 DA H3' MEDIUM 1.540E+06 0.5 2.018E+04 3.060 3.588 0.528 m D2O_250ms.dat 1.140E+06 3.0 7.177E+03 2.731 3.760 1.029 m D2O_80ms.dat 1.070E+06 0.1 1.004E+04 2.998 3.792 0.794 m D2O_150ms.dat 15 DA H2' 15 DA H8 MEDIUM 4.010E+07 0.3 8.291E+05 3.376 3.429 0.053 m H2O_250ms.dat 9.470E+05 6.1 2.303E+04 3.319 3.510 0.191 m D2O_250ms.dat 3.880E+06 4.8 5.542E+05 3.292 3.108 0.184 m H2O_80ms.dat 8.080E+06 4.3 8.783E+05 3.209 3.116 0.093 m H2O_150ms.dat 4.740E+05 2.7 1.071E+04 3.161 3.517 0.356 m D2O_80ms.dat 8.020E+05 7.6 1.690E+04 3.145 3.476 0.331 m D2O_150ms.dat 15 DA H1' 15 DA H8 MEDIUM 4.420E+07 1.2 1.036E+06 3.321 3.304 0.017 m H2O_250ms.dat 1.410E+06 7.2 4.121E+04 3.106 3.185 0.079 m D2O_250ms.dat 3.240E+06 7.5 5.625E+05 3.392 3.100 0.292 m H2O_80ms.dat 7.060E+06 8.8 9.570E+05 3.282 3.072 0.210 m H2O_150ms.dat 4.800E+05 4.5 1.630E+04 3.154 3.279 0.125 m D2O_80ms.dat 8.010E+05 9.2 2.782E+04 3.146 3.200 0.054 m D2O_150ms.dat 15 DA H4' 15 DA H8 WEAK 1.660E+06 0.3 6.300E+04 5.739 5.269 0.470 w H2O_250ms.dat 5.310E+05 1.7 4.748E+04 5.051 5.068 0.017 w H2O_150ms.dat 15 DA H1' 15 DA H2 WEAK 9.190E+06 1.2 6.644E+04 4.315 5.223 0.908 w H2O_250ms.dat 1.470E+05 1.1 2.699E+04 6.257 5.568 0.689 w H2O_150ms.dat 15 DA H2' 15 DA H2 WEAK 7.320E+06 0.1 7.462E+04 4.482 5.123 0.641 w H2O_250ms.dat 15 DA H1' 19 DA H8 WEAK 1.980E+05 7.3 6.153E+03 4.308 4.373 0.065 w D2O_250ms.dat 15 DA H2' 15 DA H3' MEDIUM 1.380E+06 5.6 1.886E+04 3.117 3.629 0.512 m D2O_250ms.dat 9.980E+05 1.6 1.110E+04 2.792 3.496 0.704 m D2O_80ms.dat 1.030E+06 8.1 1.358E+04 3.017 3.606 0.589 m D2O_150ms.dat 15 DA H2' 15 DA H4' ***** 4.950E+05 9.7 7.100E+03 3.697 4.270 0.573 * D2O_250ms.dat 2.930E+05 0.9 5.365E+03 3.425 3.946 0.521 m D2O_80ms.dat 3.360E+05 0.1 4.657E+03 3.636 4.310 0.674 * D2O_150ms.dat 15 DA H3' 15 DA H1' ***** 4.060E+05 0.8 5.514E+03 3.822 4.454 0.632 * D2O_250ms.dat 2.760E+06 0.3 7.634E+04 5.273 5.103 0.170 w H2O_250ms.dat 4.410E+05 9.0 5.733E+04 5.210 4.911 0.299 w H2O_150ms.dat 15 DA H1' 17 DA H8 WEAK 5.380E+06 0.3 1.382E+05 4.718 4.622 0.096 w H2O_250ms.dat 1.660E+05 2.1 5.060E+04 5.567 4.631 0.936 w H2O_80ms.dat 6.150E+05 0.6 7.662E+04 4.929 4.680 0.249 w H2O_150ms.dat 15 DA H1' 17 DA H2 WEAK 1.700E+05 0.6 2.463E+04 5.545 5.222 0.323 w H2O_80ms.dat 15 DA H4' 15 DA H3' MEDIUM 4.380E+06 0.2 2.689E+05 3.554 3.796 0.242 m H2O_150ms.dat 9.970E+05 0.0 1.121E+04 2.792 3.490 0.698 m D2O_80ms.dat 15 DA H2' 15 DA H1' MEDIUM 8.170E+05 3.3 1.197E+04 3.401 3.915 0.514 m D2O_250ms.dat 15 DA H2'' 15 DA H2' ***** 5.680E+06 3.4 4.323E+04 2.462 3.160 0.698 * D2O_250ms.dat 15 DA H3' 15 DA H8 ***** 2.590E+05 2.4 8.566E+03 4.119 4.139 0.020 w D2O_250ms.dat 1.130E+07 1.1 2.533E+05 4.169 4.179 0.010 w H2O_250ms.dat 3.630E+05 1.8 9.108E+04 4.886 4.199 0.687 w H2O_80ms.dat 1.270E+06 0.4 1.536E+05 4.368 4.167 0.201 w H2O_150ms.dat 2.740E+05 4.9 4.679E+03 3.762 4.306 0.544 * D2O_150ms.dat 15 DA H3' 15 DA H2 WEAK 6.590E+06 0.3 7.316E+04 4.561 5.140 0.579 w H2O_250ms.dat 16 DC Q5' 15 DA H1' ***** 2.850E+06 3.9 1.078E+05 3.817 4.421 0.604 * H2O_150ms.dat 16 DC H2'' 17 DA H4' ***** 2.790E+06 4.4 8.655E+04 3.831 4.586 0.755 * H2O_150ms.dat 16 DC H2' 17 DA H8 WEAK 4.430E+06 1.7 1.023E+05 4.873 4.860 0.013 w H2O_250ms.dat 4.260E+05 1.0 4.743E+04 4.757 4.682 0.075 w H2O_80ms.dat 7.720E+05 4.3 7.056E+04 4.746 4.744 0.002 w H2O_150ms.dat 16 DC H4' 16 DC H3' MEDIUM 6.230E+05 0.7 7.717E+03 3.020 3.714 0.694 m D2O_80ms.dat 7.780E+05 2.0 8.496E+03 3.161 3.899 0.738 m D2O_150ms.dat 16 DC Q5' 15/17 DA H2 WEAK 2.490E+05 0.6 3.591E+04 5.731 5.310 0.421 w H2O_150ms.dat 16 DC H2'' 16 DC H1' MEDIUM 3.140E+06 1.2 2.156E+04 2.718 3.549 0.831 m D2O_250ms.dat 16 DC H4' 16 DC H1' ***** 3.990E+05 2.5 6.600E+03 3.833 4.323 0.490 * D2O_250ms.dat 1.140E+06 2.6 6.440E+04 4.038 4.449 0.411 w H2O_80ms.dat 4.350E+06 3.0 1.406E+05 3.558 4.229 0.671 * H2O_150ms.dat 16 DC H2' 16 DC H1' MEDIUM 8.800E+05 6.5 1.174E+04 3.359 3.927 0.568 m D2O_250ms.dat 16 DC H2' 16 DC Q5' WEAK 1.360E+07 5.1 1.135E+05 4.042 4.777 0.735 w H2O_250ms.dat 1.060E+06 2.4 7.007E+04 4.502 4.750 0.248 w H2O_150ms.dat 16 DC H4' 17 DA H8 WEAK 4.540E+06 0.1 9.712E+04 4.853 4.902 0.049 w H2O_250ms.dat 16 DC H2'' 16 DC H4' ***** 2.040E+07 3.9 1.988E+05 3.778 4.351 0.573 * H2O_250ms.dat 1.100E+06 0.3 8.632E+04 4.062 4.237 0.175 w H2O_80ms.dat 1.890E+06 2.6 1.578E+05 4.088 4.149 0.061 w H2O_150ms.dat 16 DC H3' 15 DA H1' WEAK 1.230E+05 3.3 4.073E+03 4.663 4.685 0.022 w D2O_250ms.dat 16 DC H2'' 16 DC Q5' ***** 2.460E+06 0.8 1.638E+05 3.912 4.123 0.211 * H2O_150ms.dat 16 DC H1' 17 DA H8 ***** 2.370E+05 0.0 3.315E+04 5.778 5.381 0.397 w H2O_150ms.dat 7.700E+04 4.7 5.425E+03 4.279 3.939 0.340 * D2O_80ms.dat 8.650E+04 1.0 4.874E+03 4.559 4.277 0.282 w D2O_150ms.dat 16 DC H2' 16 DC H4' WEAK 8.870E+06 1.5 1.562E+05 4.341 4.529 0.188 w H2O_250ms.dat 4.030E+05 0.6 4.408E+04 4.802 4.739 0.063 w H2O_80ms.dat 1.150E+06 2.2 9.377E+04 4.441 4.525 0.084 w H2O_150ms.dat 16 DC H2'' 17 DA H8 WEAK 5.540E+06 3.1 1.260E+05 4.695 4.694 0.001 w H2O_250ms.dat 16 DC H3' 17 DA H8 WEAK 2.050E+05 1.9 6.581E+03 4.283 4.325 0.042 w D2O_250ms.dat 2.120E+06 0.1 1.084E+05 5.510 4.814 0.696 w H2O_250ms.dat 5.300E+05 1.7 5.409E+04 4.587 4.580 0.007 w H2O_80ms.dat 1.000E+06 0.0 8.333E+04 4.546 4.615 0.069 w H2O_150ms.dat 16 DC H2' 16 DC H3' MEDIUM 1.560E+06 9.7 1.992E+04 3.054 3.596 0.542 m D2O_250ms.dat 17 DA H3' 17 DA H8 ***** 9.740E+06 1.0 2.504E+05 4.274 4.187 0.087 w H2O_250ms.dat 2.790E+05 8.2 1.154E+04 4.068 3.938 0.130 * D2O_250ms.dat 1.300E+06 0.6 9.894E+04 3.950 4.142 0.192 * H2O_80ms.dat 1.620E+06 0.4 1.994E+05 4.194 3.990 0.204 * H2O_150ms.dat 1.580E+05 0.8 5.172E+03 3.796 3.971 0.175 m D2O_80ms.dat 1.530E+05 0.2 6.815E+03 4.145 4.045 0.100 w D2O_150ms.dat 17 DA Q2' 17 DA H8 MEDIUM 7.090E+07 3.4 1.547E+06 3.070 3.091 0.021 m H2O_250ms.dat 4.370E+06 0.1 7.438E+05 3.227 2.959 0.268 m H2O_80ms.dat 1.240E+07 3.2 1.280E+06 2.988 2.927 0.061 m H2O_150ms.dat 8.020E+05 3.8 2.593E+04 2.896 3.035 0.139 m D2O_80ms.dat 1.260E+06 2.5 4.142E+04 2.917 2.994 0.077 m D2O_150ms.dat 17 DA Q2' 17 DA H2 ***** 1.730E+05 0.3 5.056E+03 4.406 4.519 0.113 w D2O_250ms.dat 1.660E+08 0.2 1.617E+05 2.664 4.503 1.839 * H2O_250ms.dat 17 DA Q5' 17 DA H3' ***** 4.100E+06 1.1 1.583E+05 3.593 4.147 0.554 * H2O_150ms.dat 17 DA H1' 17 DA H8 ***** 4.170E+05 8.1 1.465E+04 3.805 3.785 0.020 m D2O_250ms.dat 1.680E+07 5.9 3.887E+05 3.902 3.891 0.011 m H2O_250ms.dat 1.170E+06 0.4 1.829E+05 4.020 3.739 0.281 * H2O_80ms.dat 2.200E+06 4.1 3.020E+05 3.986 3.723 0.263 m H2O_150ms.dat 4.750E+05 9.2 1.734E+04 3.432 3.462 0.030 m D2O_150ms.dat 17 DA H4' 17 DA H1' ***** 5.370E+05 5.7 8.995E+03 3.648 4.105 0.457 * D2O_250ms.dat 1.960E+06 3.7 8.692E+04 3.689 4.232 0.543 * H2O_80ms.dat 1.570E+06 1038.0 1.483E+05 4.216 4.192 0.024 w H2O_150ms.dat 17 DA Q2' 15 DA H8 ***** 1.960E+05 0.0 3.448E+03 3.978 4.531 0.553 * D2O_150ms.dat 17 DA Q2' 17 DA Q5' ***** 4.170E+06 0.4 1.874E+05 3.583 4.031 0.448 * H2O_150ms.dat 17 DA H4' 17 DA H3' MEDIUM 1.590E+06 1.3 8.853E+03 2.583 3.630 1.047 m D2O_80ms.dat 17 DA Q2' 17 DA H1' MEDIUM 2.630E+06 6.3 4.454E+04 2.799 3.144 0.345 m D2O_250ms.dat 1.520E+07 8.4 8.729E+05 2.888 3.120 0.232 m H2O_150ms.dat 17 DA H1' 15 DA H8 WEAK 3.900E+06 1.1 8.699E+04 4.978 4.993 0.015 w H2O_250ms.dat 2.250E+05 0.0 3.072E+04 5.291 5.033 0.258 w H2O_80ms.dat 5.490E+05 0.1 7.050E+04 5.023 4.745 0.278 w H2O_150ms.dat 17 DA H4' 17 DA H8 WEAK 2.260E+05 0.6 3.861E+03 4.214 4.727 0.513 w D2O_250ms.dat 1.430E+06 0.5 8.254E+04 5.884 5.037 0.847 w H2O_250ms.dat 3.940E+05 0.4 3.130E+04 5.309 5.432 0.123 w H2O_150ms.dat 17 DA Q5' 17 DA H4' ***** 6.990E+08 0.5 4.233E+06 2.096 2.613 0.517 * H2O_250ms.dat 2.120E+07 0.4 1.295E+06 2.481 2.698 0.217 * H2O_80ms.dat 3.200E+07 0.3 2.314E+06 2.551 2.652 0.101 m H2O_150ms.dat 17 DA Q2' 17 DA H3' ***** 3.140E+06 4.7 3.854E+04 2.718 3.221 0.503 m D2O_250ms.dat 1.320E+06 1.1 1.391E+05 4.340 4.237 0.103 w H2O_150ms.dat 1.800E+06 5.3 2.411E+04 2.531 3.072 0.541 m D2O_80ms.dat 2.770E+06 9.6 3.567E+04 2.558 3.070 0.512 m D2O_150ms.dat 17 DA Q2' 18 DC H5' ***** 3.440E+07 0.1 2.192E+05 3.463 4.280 0.817 * H2O_250ms.dat 3.660E+06 1.5 1.340E+05 3.662 4.264 0.602 * H2O_150ms.dat 17 DA Q2' 17 DA H4' ***** 3.030E+07 1.7 3.771E+05 3.537 3.910 0.373 m H2O_250ms.dat 4.850E+05 3.7 8.115E+03 3.710 4.176 0.466 * D2O_250ms.dat 2.270E+06 2.4 1.462E+05 3.600 3.881 0.281 m H2O_80ms.dat 3.590E+06 3.9 2.787E+05 3.673 3.774 0.101 m H2O_150ms.dat 2.740E+05 5.5 4.339E+03 3.463 4.089 0.626 * D2O_80ms.dat 4.660E+05 1.7 6.238E+03 3.443 4.105 0.662 * D2O_150ms.dat 17 DA Q2' 18 DC H6 ***** 2.570E+07 0.0 2.693E+05 3.636 4.136 0.500 * H2O_250ms.dat 1.070E+05 0.0 4.104E+03 4.051 4.127 0.076 w D2O_80ms.dat 3.210E+05 9.7 8.503E+03 3.664 3.898 0.234 m D2O_150ms.dat 18 DC H5' 17 DA H2 WEAK 2.760E+05 0.4 2.574E+04 5.633 5.613 0.020 w H2O_150ms.dat 18 DC H2'' 19 DA H8 WEAK 5.690E+06 2.1 1.093E+05 4.674 4.807 0.133 w H2O_250ms.dat 18 DC H5'' 17 DA H8 MEDIUM 1.360E+06 7.8 1.269E+05 3.921 3.974 0.053 m H2O_80ms.dat 18 DC H3' 19 DA H8 WEAK 2.960E+05 0.7 5.908E+04 5.568 4.887 0.681 w H2O_150ms.dat 18 DC H2' 18 DC H3' ***** 7.990E+05 0.3 1.606E+04 3.414 3.727 0.313 m D2O_250ms.dat 2.350E+05 0.4 3.582E+03 3.553 4.221 0.668 * D2O_80ms.dat 18 DC H2' 19 DA H8 WEAK 3.810E+06 0.3 7.892E+04 4.997 5.075 0.078 w H2O_250ms.dat 6.670E+05 0.6 3.696E+04 4.415 4.880 0.465 w H2O_80ms.dat 3.780E+05 0.0 2.672E+04 5.346 5.578 0.232 w H2O_150ms.dat 18 DC H2' 18 DC H4' WEAK 5.760E+05 4.1 3.519E+04 4.524 4.920 0.396 w H2O_80ms.dat 18 DC H3' 18 DC H1' WEAK 2.960E+05 4.0 4.131E+03 4.028 4.674 0.646 w D2O_250ms.dat 18 DC H2' 18 DC H1' ***** 9.640E+05 4.2 9.654E+03 3.309 4.057 0.748 * D2O_250ms.dat 18 DC H1' 18 DC H6 ***** 2.150E+06 7.5 1.128E+05 3.632 4.052 0.420 * H2O_80ms.dat 18 DC H1' 19 DA H8 WEAK 4.650E+06 4.4 7.759E+04 4.834 5.089 0.255 w H2O_250ms.dat 4.890E+05 0.3 4.700E+04 5.121 5.077 0.044 w H2O_150ms.dat 18 DC H2'' 18 DC H4' ***** 3.210E+07 4.6 2.282E+05 3.503 4.252 0.749 * H2O_250ms.dat 1.080E+06 0.1 6.706E+04 4.074 4.419 0.345 w H2O_80ms.dat 2.030E+06 0.6 1.678E+05 4.040 4.107 0.067 w H2O_150ms.dat 18 DC H2'' 18 DC H1' MEDIUM 2.100E+06 1.2 2.282E+04 2.906 3.515 0.609 m D2O_250ms.dat 19 DA H2' 19 DA H5' WEAK 9.170E+05 5.4 9.146E+04 4.612 4.544 0.068 w H2O_150ms.dat 19 DA H1' 19 DA H8 MEDIUM 4.290E+05 8.2 1.445E+04 3.787 3.793 0.006 m D2O_250ms.dat 1.930E+07 7.3 4.422E+05 3.813 3.808 0.005 m H2O_250ms.dat 1.220E+06 9.0 1.621E+05 3.992 3.814 0.178 m H2O_80ms.dat 2.520E+06 2.2 2.805E+05 3.897 3.769 0.128 m H2O_150ms.dat 5.210E+05 2.9 8.912E+03 3.380 3.868 0.488 m D2O_150ms.dat 19 DA H5'' 19 DA H3' ***** 3.780E+07 1.1 9.816E+03 1.795 4.046 2.251 * D2O_250ms.dat 1.340E+06 0.1 1.135E+05 4.329 4.383 0.054 w H2O_150ms.dat 7.410E+05 2.4 7.121E+03 2.934 3.765 0.831 m D2O_80ms.dat 1.190E+06 0.8 8.227E+03 2.945 3.920 0.975 m D2O_150ms.dat 19 DA H5'' 19 DA H8 WEAK 6.590E+06 1.4 1.359E+05 4.561 4.635 0.074 w H2O_250ms.dat 1.480E+05 3.9 3.805E+03 4.522 4.738 0.216 w D2O_250ms.dat 3.510E+05 0.9 3.881E+04 4.913 4.841 0.072 w H2O_80ms.dat 7.370E+05 1.5 8.377E+04 4.783 4.611 0.172 w H2O_150ms.dat 2.530E+04 0.0 2.018E+03 5.151 4.645 0.506 w D2O_80ms.dat 6.790E+04 0.5 2.791E+03 4.746 4.694 0.052 w D2O_150ms.dat 19 DA H2'' 19 DA H4' ***** 2.070E+07 0.6 2.499E+05 3.769 4.188 0.419 * H2O_250ms.dat 2.680E+06 1.3 1.475E+05 3.857 4.196 0.339 * H2O_150ms.dat 19 DA H2 19 DA H8 MEDIUM 8.280E+06 0.9 1.464E+05 2.901 3.880 0.979 m H2O_80ms.dat 19 DA H4' 19 DA H8 WEAK 1.650E+05 0.8 4.094E+03 4.440 4.681 0.241 w D2O_250ms.dat 19 DA H2' 19 DA H1' MEDIUM 1.290E+06 5.1 1.071E+04 3.152 3.988 0.836 m D2O_250ms.dat 19 DA H3' 19 DA H8 ***** 1.870E+07 4.0 4.109E+05 3.833 3.855 0.022 m H2O_250ms.dat 2.990E+05 7.6 1.090E+04 4.022 3.976 0.046 * D2O_250ms.dat 1.990E+06 0.4 9.571E+04 3.680 4.165 0.485 * H2O_80ms.dat 2.210E+06 3.2 1.856E+05 3.983 4.038 0.055 * H2O_150ms.dat 1.820E+05 0.2 4.556E+03 3.708 4.055 0.347 * D2O_80ms.dat 3.150E+05 0.9 7.590E+03 3.675 3.973 0.298 m D2O_150ms.dat 19 DA H5' 19 DA H5'' ***** 4.900E+08 0.1 3.455E+06 2.224 2.703 0.479 * H2O_250ms.dat 19 DA H5' 19 DA H8 WEAK 6.980E+06 2.7 1.660E+05 4.518 4.483 0.035 w H2O_250ms.dat 9.410E+05 2.7 9.546E+04 4.592 4.511 0.081 w H2O_150ms.dat 1.020E+05 2.4 3.424E+03 4.083 4.253 0.170 w D2O_80ms.dat 7.550E+04 1.7 2.882E+03 4.663 4.669 0.006 w D2O_150ms.dat 19 DA H3' 20 DG H8 WEAK 7.640E+06 0.7 7.807E+04 4.450 5.084 0.634 w H2O_250ms.dat 19 DA H2' 19 DA H3' ***** 2.130E+06 0.4 1.536E+04 2.899 3.755 0.856 m D2O_250ms.dat 2.230E+06 1.3 1.552E+05 3.977 4.160 0.183 * H2O_150ms.dat 1.420E+06 6.4 1.008E+04 2.633 3.553 0.920 m D2O_80ms.dat 2.350E+06 2.1 1.428E+04 2.629 3.575 0.946 m D2O_150ms.dat 19 DA H3' 19 DA H1' ***** 2.530E+06 1.1 4.192E+04 3.894 5.174 1.280 * H2O_150ms.dat 19 DA H2'' 19 DA H1' MEDIUM 1.200E+07 0.9 3.981E+05 3.004 3.556 0.552 m H2O_150ms.dat 19 DA H2' 19 DA H5'' WEAK 3.590E+05 1.4 4.344E+04 4.895 4.751 0.144 w H2O_80ms.dat 19 DA H2' 19 DA H4' MEDIUM 5.910E+07 0.8 3.478E+05 3.164 3.963 0.799 m H2O_250ms.dat 6.880E+06 0.1 2.245E+05 3.296 3.912 0.616 m H2O_150ms.dat 19 DA H2'' 12 DG H8 WEAK 2.280E+06 1.4 4.663E+04 5.444 5.540 0.096 w H2O_250ms.dat 19 DA H2'' 19 DA H3' ***** 7.180E+05 0.2 7.613E+04 4.804 4.685 0.119 w H2O_150ms.dat 8.030E+05 0.4 8.454E+03 2.895 3.658 0.763 m D2O_80ms.dat 1.280E+06 1.0 1.236E+04 2.909 3.663 0.754 m D2O_150ms.dat 19 DA H4' 19 DA H3' MEDIUM 8.720E+05 1.0 1.301E+04 3.364 3.860 0.496 m D2O_250ms.dat 9.550E+06 1.0 2.279E+05 3.121 3.902 0.781 m H2O_150ms.dat 5.060E+05 0.3 7.807E+03 3.127 3.707 0.580 m D2O_80ms.dat 8.390E+05 2.9 9.587E+03 3.122 3.821 0.699 m D2O_150ms.dat 19 DA H2'' 19 DA H8 MEDIUM 5.190E+07 0.1 7.391E+05 3.234 3.496 0.262 m H2O_250ms.dat 3.550E+06 0.0 2.213E+05 3.341 3.622 0.281 m H2O_80ms.dat 5.580E+06 1.1 4.523E+05 3.413 3.481 0.068 m H2O_150ms.dat 3.560E+05 0.2 5.752E+03 3.315 3.901 0.586 m D2O_80ms.dat 2.950E+05 7.0 1.174E+04 3.716 3.694 0.022 m D2O_150ms.dat 19 DA H4' 20 DG H8 WEAK 2.270E+05 0.6 5.253E+03 4.210 4.490 0.280 w D2O_250ms.dat 1.640E+05 1.9 4.669E+03 4.098 4.308 0.210 w D2O_150ms.dat 19 DA H5' 19 DA H3' ***** 5.060E+05 0.6 4.739E+03 3.127 4.029 0.902 * D2O_80ms.dat 3.850E+05 3.5 5.539E+03 3.554 4.187 0.633 * D2O_150ms.dat 19 DA H2'' 19 DA H5' WEAK 3.190E+06 0.0 7.876E+04 5.147 5.077 0.070 w H2O_250ms.dat 19 DA H4' 19 DA H1' ***** 1.790E+06 1.4 8.760E+04 3.745 4.227 0.482 * H2O_80ms.dat 19 DA H5' 19 DA H4' ***** 3.420E+08 6.2 2.471E+06 2.362 2.859 0.497 * H2O_250ms.dat 1.710E+07 13.2 6.890E+05 2.571 2.997 0.426 m H2O_80ms.dat 5.080E+07 5.2 1.155E+06 2.362 2.977 0.615 * H2O_150ms.dat 19 DA H5'' 19 DA H4' ***** 1.250E+06 2.5 2.421E+04 3.168 3.481 0.313 m D2O_250ms.dat 2.660E+08 0.3 2.527E+06 2.463 2.848 0.385 * H2O_250ms.dat 1.210E+07 0.6 9.120E+05 2.724 2.860 0.136 m H2O_80ms.dat 2.080E+07 0.8 1.421E+06 2.741 2.876 0.135 m H2O_150ms.dat 1.630E+06 7.0 2.430E+04 2.795 3.272 0.477 m D2O_150ms.dat 19 DA H2' 19 DA H8 MEDIUM 1.380E+06 1.8 3.236E+04 3.117 3.316 0.199 m D2O_250ms.dat 8.780E+07 7.8 1.592E+06 2.962 3.076 0.114 m H2O_250ms.dat 7.840E+05 2.3 2.140E+04 2.907 3.134 0.227 m D2O_80ms.dat 1.120E+06 0.2 2.808E+04 2.975 3.195 0.220 m D2O_150ms.dat 20 DG H5'' 21 DG H8 WEAK 4.820E+06 0.4 9.798E+04 4.805 4.895 0.090 w H2O_250ms.dat 20 DG H2' 20 DG H5' MEDIUM 1.790E+08 0.1 3.376E+05 2.631 3.983 1.352 m H2O_250ms.dat 20 DG H5'' 20 DG H4' ***** 3.100E+07 0.1 5.383E+05 2.328 3.123 0.795 * H2O_80ms.dat 20 DG H2' 20 DG H8 ***** 2.050E+05 2.4 6.380E+03 4.283 4.347 0.064 w D2O_250ms.dat 1.050E+07 0.2 2.136E+05 4.220 4.299 0.079 w H2O_250ms.dat 1.820E+05 6.2 3.091E+04 5.482 5.028 0.454 w H2O_80ms.dat 1.060E+06 3.5 7.525E+04 4.502 4.694 0.192 w H2O_150ms.dat 2.180E+05 0.1 3.714E+03 3.908 4.475 0.567 * D2O_150ms.dat 20 DG H2'' 20 DG H3' MEDIUM 4.050E+07 1.0 4.634E+05 3.370 3.778 0.408 m H2O_250ms.dat 8.600E+05 4.1 1.389E+04 3.372 3.818 0.446 m D2O_250ms.dat 3.880E+06 11.1 3.220E+05 3.292 3.402 0.110 m H2O_80ms.dat 6.650E+06 0.9 5.305E+05 3.315 3.390 0.075 m H2O_150ms.dat 4.270E+05 0.2 8.980E+03 3.216 3.622 0.406 m D2O_80ms.dat 7.580E+05 9.0 1.253E+04 3.175 3.654 0.479 m D2O_150ms.dat 20 DG H5'' 20 DG H3' MEDIUM 3.570E+07 0.6 4.190E+05 3.442 3.842 0.400 m H2O_250ms.dat 2.660E+06 4.5 1.846E+05 3.506 3.733 0.227 m H2O_80ms.dat 9.400E+06 2.0 3.186E+05 3.129 3.690 0.561 m H2O_150ms.dat 20 DG H4' 20 DG H1' ***** 1.260E+06 0.0 5.248E+04 3.971 4.603 0.632 * H2O_80ms.dat 20 DG H1' 21 DG H8 WEAK 2.340E+05 7.3 8.217E+03 4.189 4.168 0.021 w D2O_250ms.dat 1.210E+07 4.6 2.700E+05 4.122 4.134 0.012 w H2O_250ms.dat 2.390E+05 7.7 6.402E+04 5.238 4.453 0.785 w H2O_80ms.dat 1.220E+06 0.5 1.521E+05 4.397 4.174 0.223 w H2O_150ms.dat 1.430E+05 0.6 3.899E+03 4.192 4.439 0.247 w D2O_150ms.dat 20 DG H4' 20 DG H3' MEDIUM 4.250E+07 2.1 5.744E+05 3.343 3.646 0.303 m H2O_250ms.dat 8.590E+05 3.2 1.812E+04 3.373 3.653 0.280 m D2O_250ms.dat 2.810E+06 6.4 1.956E+05 3.474 3.697 0.223 m H2O_80ms.dat 9.970E+06 4.4 3.330E+05 3.098 3.663 0.565 m H2O_150ms.dat 4.820E+05 1.2 1.011E+04 3.152 3.551 0.399 m D2O_80ms.dat 8.520E+05 3.3 1.411E+04 3.114 3.583 0.469 m D2O_150ms.dat 20 DG H5' 20 DG H8 WEAK 4.320E+06 1.2 6.897E+04 4.894 5.190 0.296 w H2O_250ms.dat 20 DG H8 21 DG H8 WEAK 5.520E+06 1.7 1.183E+05 4.698 4.744 0.046 w H2O_250ms.dat 6.660E+05 0.3 3.538E+04 4.416 4.916 0.500 w H2O_80ms.dat 20 DG H3' 21 DG H8 ***** 3.260E+05 4.7 1.245E+04 3.964 3.889 0.075 m D2O_250ms.dat 1.390E+05 0.8 6.166E+03 4.212 4.113 0.099 w D2O_150ms.dat 20 DG H4' 20 DG H8 WEAK 1.240E+05 0.7 5.715E+03 4.657 4.428 0.229 w D2O_250ms.dat 6.020E+06 3.4 1.591E+05 4.630 4.515 0.115 w H2O_250ms.dat 5.460E+05 0.1 6.310E+04 5.028 4.833 0.195 w H2O_150ms.dat 5.090E+04 0.0 1.649E+03 4.980 5.124 0.144 w D2O_150ms.dat 20 DG H3' 20 DG H1' ***** 4.290E+05 2.0 6.129E+03 3.787 4.376 0.589 * D2O_250ms.dat 20 DG H4' 21 DG H8 WEAK 3.210E+06 0.4 5.326E+04 5.142 5.419 0.277 w H2O_250ms.dat 20 DG H2'' 20 DG H4' WEAK 1.940E+05 5.4 3.810E+04 5.424 4.856 0.568 w H2O_80ms.dat 20 DG H2' 20 DG H5'' ***** 3.010E+08 0.2 3.572E+05 2.412 3.946 1.534 * H2O_250ms.dat 4.900E+06 1.8 1.911E+05 3.488 4.018 0.530 * H2O_150ms.dat 20 DG H2'' 20 DG H1' ***** 1.110E+06 4.5 9.645E+03 3.232 4.058 0.826 * D2O_250ms.dat 20 DG H3' 20 DG H8 WEAK 8.630E+04 1.5 3.243E+03 4.947 4.866 0.081 w D2O_250ms.dat 8.380E+06 5.7 1.322E+05 4.382 4.657 0.275 w H2O_250ms.dat 5.890E+05 2.0 3.440E+04 4.965 5.348 0.383 w H2O_150ms.dat 20 DG H5'' 20 DG H8 WEAK 4.000E+06 0.6 7.738E+04 4.957 5.092 0.135 w H2O_250ms.dat 5.460E+05 2.3 3.327E+04 5.028 5.378 0.350 w H2O_150ms.dat 20 DG H2'' 20 DG H2' ***** 3.340E+06 4.6 2.675E+04 2.283 3.019 0.736 * D2O_80ms.dat 20 DG H2' 20 DG H4' WEAK 2.120E+05 5.2 5.552E+04 5.344 4.560 0.784 w H2O_80ms.dat 20 DG H2'' 21 DG H5' ***** 1.750E+07 3.1 1.493E+05 3.876 4.563 0.687 * H2O_250ms.dat 9.440E+05 2.3 5.760E+04 4.167 4.533 0.366 w H2O_80ms.dat 1.520E+06 1.1 9.492E+04 4.239 4.516 0.277 w H2O_150ms.dat 20 DG H5' 20 DG H5'' ***** 1.530E+09 0.0 2.843E+06 1.840 2.793 0.953 * H2O_250ms.dat 20 DG H2' 21 DG H8 MEDIUM 4.690E+07 0.5 9.052E+05 3.289 3.379 0.090 m H2O_250ms.dat 1.360E+06 0.2 2.327E+04 3.124 3.504 0.380 m D2O_250ms.dat 3.670E+06 6.7 2.954E+05 3.323 3.451 0.128 m H2O_80ms.dat 7.160E+06 4.7 5.406E+05 3.274 3.379 0.105 m H2O_150ms.dat 4.020E+05 7.0 1.095E+04 3.249 3.504 0.255 m D2O_80ms.dat 7.370E+05 7.4 1.738E+04 3.190 3.461 0.271 m D2O_150ms.dat 20 DG H2'' 21 DG H8 MEDIUM 7.190E+07 2.2 1.432E+06 3.063 3.131 0.068 m H2O_250ms.dat 1.260E+06 2.9 3.378E+04 3.164 3.293 0.129 m D2O_250ms.dat 7.000E+06 9.1 8.316E+05 2.984 2.905 0.079 m H2O_80ms.dat 1.230E+07 4.1 1.196E+06 2.992 2.960 0.032 m H2O_150ms.dat 8.160E+05 1.9 2.329E+04 2.887 3.090 0.203 m D2O_80ms.dat 1.390E+06 5.5 3.051E+04 2.870 3.151 0.281 m D2O_150ms.dat 20 DG H2'' 21 DG H5'' ***** 4.100E+06 0.7 1.439E+05 3.593 4.213 0.620 * H2O_150ms.dat 20 DG H2'' 21 DG H3' WEAK 1.370E+06 1.3 8.413E+04 4.313 4.607 0.294 w H2O_150ms.dat 20 DG H5' 20 DG H4' MEDIUM 6.780E+05 0.4 1.117E+04 3.235 3.725 0.490 m D2O_150ms.dat 20 DG H2'' 20 DG H8 ***** 3.180E+05 3.4 8.793E+03 3.980 4.121 0.141 * D2O_250ms.dat 1.550E+07 0.0 3.777E+05 3.955 3.909 0.046 m H2O_250ms.dat 8.150E+05 1.7 9.372E+04 4.270 4.179 0.091 w H2O_80ms.dat 1.530E+06 5.0 1.570E+05 4.235 4.152 0.083 w H2O_150ms.dat 1.890E+05 0.3 5.261E+03 4.002 4.223 0.221 w D2O_150ms.dat 20 DG H2' 20 DG H3' MEDIUM 5.730E+07 0.2 6.229E+05 3.181 3.597 0.416 m H2O_250ms.dat 1.280E+06 5.4 1.987E+04 3.156 3.597 0.441 m D2O_250ms.dat 7.470E+06 6.4 4.437E+05 2.952 3.225 0.273 m H2O_80ms.dat 1.110E+07 2.3 6.810E+05 3.043 3.251 0.208 m H2O_150ms.dat 7.940E+05 1.7 1.402E+04 2.900 3.363 0.463 m D2O_80ms.dat 1.170E+06 7.1 1.736E+04 2.953 3.461 0.508 m D2O_150ms.dat 20 DG H1' 20 DG H8 MEDIUM 1.350E+08 10.8 3.716E+06 2.757 2.671 0.086 m H2O_250ms.dat 2.350E+06 8.2 8.592E+04 2.852 2.818 0.034 m D2O_250ms.dat 1.060E+07 7.2 1.430E+06 2.784 2.654 0.130 m H2O_80ms.dat 1.960E+07 5.0 2.288E+06 2.768 2.657 0.111 m H2O_150ms.dat 1.180E+06 10.4 4.859E+04 2.715 2.733 0.018 m D2O_80ms.dat 1.960E+06 7.2 6.737E+04 2.710 2.761 0.051 m D2O_150ms.dat 20 DG H2'' 20 DG H5'' WEAK 1.220E+06 32.9 8.898E+04 4.397 4.564 0.167 w H2O_150ms.dat 20 DG H5' 20 DG H3' ***** 1.700E+07 3.3 2.559E+05 3.895 4.171 0.276 * H2O_250ms.dat 1.810E+06 0.1 1.601E+05 3.738 3.822 0.084 m H2O_80ms.dat 3.270E+06 2.7 3.151E+05 3.731 3.697 0.034 m H2O_150ms.dat 2.200E+05 0.9 4.460E+03 3.902 4.341 0.439 * D2O_150ms.dat 20 DG H2'' 20 DG H5' WEAK 4.690E+05 0.4 4.237E+04 5.157 5.165 0.008 w H2O_150ms.dat 21 DG H5'' 21 DG H5' ***** 5.770E+08 0.1 4.090E+06 2.165 2.628 0.463 * H2O_250ms.dat 1.300E+07 9.4 8.727E+05 2.691 2.881 0.190 m H2O_80ms.dat 21 DG H2'' 22 DG H8 MEDIUM 5.330E+07 0.5 1.447E+06 3.219 3.125 0.094 m H2O_250ms.dat 6.900E+06 0.1 7.346E+05 2.991 2.965 0.026 m H2O_80ms.dat 2.310E+07 5.8 1.078E+06 2.693 3.012 0.319 m H2O_150ms.dat 4.750E+05 1.4 1.443E+04 3.160 3.346 0.186 m D2O_80ms.dat 21 DG H1' 21 DG H8 ***** 1.850E+05 3.0 6.427E+03 4.357 4.342 0.015 w D2O_250ms.dat 1.200E+07 2.7 2.660E+05 4.128 4.145 0.017 w H2O_250ms.dat 5.850E+05 2.3 8.414E+04 4.512 4.255 0.257 w H2O_80ms.dat 1.100E+06 1.1 1.430E+05 4.474 4.217 0.257 w H2O_150ms.dat 2.060E+05 5.4 4.859E+03 3.632 4.012 0.380 * D2O_80ms.dat 21 DG H5'' 20 DG H8 ***** 2.460E+07 1.2 6.109E+05 3.662 3.608 0.054 m H2O_250ms.dat 1.160E+06 1.5 1.238E+05 4.026 3.990 0.036 * H2O_80ms.dat 2.380E+06 1.4 2.657E+05 3.934 3.804 0.130 m H2O_150ms.dat 21 DG H3' 21 DG H8 WEAK 1.830E+05 8.4 9.706E+03 4.364 4.054 0.310 w D2O_250ms.dat 9.580E+04 3.0 4.622E+03 4.126 4.046 0.080 w D2O_80ms.dat 1.610E+05 14.2 5.079E+03 4.110 4.248 0.138 w D2O_150ms.dat 21 DG H5' 20 DG H8 WEAK 6.120E+06 0.1 2.207E+05 4.618 4.276 0.342 w H2O_250ms.dat 4.820E+05 0.8 2.623E+04 4.660 5.167 0.507 w H2O_80ms.dat 8.500E+05 0.6 7.295E+04 4.670 4.718 0.048 w H2O_150ms.dat 1.050E+05 1.7 3.106E+03 4.414 4.611 0.197 w D2O_150ms.dat 21 DG H2' 21 DG H8 MEDIUM 1.380E+06 3.4 2.831E+04 3.117 3.391 0.274 m D2O_250ms.dat 6.900E+07 9.9 1.291E+06 3.084 3.185 0.101 m H2O_250ms.dat 6.100E+05 0.9 1.312E+04 3.031 3.400 0.369 m D2O_80ms.dat 7.790E+05 0.9 1.897E+04 3.161 3.410 0.249 m D2O_150ms.dat 21 DG H5'' 21 DG H3' MEDIUM 8.350E+07 0.9 9.646E+05 2.987 3.344 0.357 m H2O_250ms.dat 5.960E+06 5.6 4.710E+05 3.065 3.193 0.128 m H2O_80ms.dat 1.260E+07 4.1 7.982E+05 2.980 3.167 0.187 m H2O_150ms.dat 6.160E+05 2.8 5.261E+03 3.026 3.959 0.933 m D2O_80ms.dat 6.680E+05 1.8 7.960E+03 3.243 3.941 0.698 m D2O_150ms.dat 21 DG H5'' 21 DG H4' MEDIUM 3.730E+06 2.5 2.354E+04 2.641 3.497 0.856 m D2O_250ms.dat 2.730E+07 7.7 1.689E+06 2.620 2.795 0.175 m H2O_150ms.dat 21 DG H2'' 21 DG H3' MEDIUM 6.290E+07 0.3 8.372E+05 3.132 3.424 0.292 m H2O_250ms.dat 8.930E+05 8.0 1.679E+04 3.351 3.700 0.349 m D2O_250ms.dat 3.780E+06 0.2 3.933E+05 3.306 3.291 0.015 m H2O_80ms.dat 7.880E+06 1.2 6.953E+05 3.222 3.240 0.018 m H2O_150ms.dat 4.370E+05 2.1 6.844E+03 3.204 3.789 0.585 m D2O_80ms.dat 6.770E+05 9.6 1.211E+04 3.235 3.675 0.440 m D2O_150ms.dat 21 DG H4' 21 DG H3' MEDIUM 3.090E+07 1.5 6.184E+05 3.526 3.601 0.075 m H2O_250ms.dat 7.730E+05 2.2 1.695E+04 3.433 3.694 0.261 m D2O_250ms.dat 2.070E+06 0.8 2.470E+05 3.655 3.556 0.099 m H2O_80ms.dat 6.000E+06 2.8 4.756E+05 3.372 3.452 0.080 m H2O_150ms.dat 3.830E+05 0.7 1.079E+04 3.275 3.513 0.238 m D2O_80ms.dat 6.980E+05 4.0 1.529E+04 3.219 3.535 0.316 m D2O_150ms.dat 21 DG H1' 20 DG H8 ***** 6.090E+05 1.5 6.685E+03 3.572 4.313 0.741 * D2O_250ms.dat 1.580E+07 0.1 2.354E+05 3.943 4.230 0.287 * H2O_250ms.dat 7.270E+05 1.8 7.802E+04 4.352 4.309 0.043 w H2O_80ms.dat 1.620E+06 1.2 1.525E+05 4.194 4.173 0.021 w H2O_150ms.dat 21 DG H5'' 21 DG H8 WEAK 3.410E+05 0.2 2.773E+04 4.937 5.120 0.183 w H2O_80ms.dat 21 DG H2' 21 DG H1' MEDIUM 1.490E+06 6.2 1.089E+04 3.077 3.977 0.900 m D2O_250ms.dat 21 DG H4' 21 DG H8 WEAK 3.300E+06 1.0 9.070E+04 5.118 4.959 0.159 w H2O_250ms.dat 3.670E+05 1.1 3.795E+04 5.372 5.261 0.111 w H2O_150ms.dat 21 DG H22 7 DG H8 WEAK 1.180E+07 2.5 7.056E+04 4.139 5.171 1.032 w H2O_250ms.dat 3.990E+05 1.1 4.234E+04 5.298 5.166 0.132 w H2O_150ms.dat 21 DG H2'' 21 DG H4' WEAK 7.810E+06 0.6 1.344E+05 4.434 4.644 0.210 w H2O_250ms.dat 9.510E+05 0.3 4.310E+04 4.161 4.757 0.596 w H2O_80ms.dat 7.230E+05 0.4 7.513E+04 4.798 4.695 0.103 w H2O_150ms.dat 21 DG H1' 22 DG H8 MEDIUM 7.450E+05 9.1 1.837E+04 3.454 3.645 0.191 m D2O_250ms.dat 1.900E+06 3.9 3.328E+05 3.708 3.384 0.324 m H2O_80ms.dat 4.690E+06 2.4 5.368E+05 3.513 3.383 0.130 m H2O_150ms.dat 3.010E+05 2.4 8.505E+03 3.409 3.655 0.246 m D2O_80ms.dat 3.100E+05 0.9 1.300E+04 3.685 3.632 0.053 m D2O_150ms.dat 21 DG H3' 22 DG H8 WEAK 1.240E+05 2.0 6.665E+03 4.657 4.316 0.341 w D2O_250ms.dat 1.060E+07 1.2 2.486E+05 4.214 4.192 0.022 w H2O_250ms.dat 8.370E+05 1.9 8.568E+04 4.682 4.593 0.089 w H2O_150ms.dat 9.450E+04 2.0 4.735E+03 4.492 4.298 0.194 w D2O_150ms.dat 21 DG H2' 21 DG H3' MEDIUM 8.080E+07 0.9 9.150E+05 3.004 3.373 0.369 m H2O_250ms.dat 1.160E+06 6.3 2.158E+04 3.208 3.548 0.340 m D2O_250ms.dat 8.000E+06 7.1 5.159E+05 2.918 3.145 0.227 m H2O_80ms.dat 1.180E+07 3.7 7.801E+05 3.013 3.179 0.166 m H2O_150ms.dat 4.690E+05 3.3 1.005E+04 3.166 3.555 0.389 m D2O_80ms.dat 8.510E+05 6.9 1.299E+04 3.114 3.632 0.518 m D2O_150ms.dat 21 DG H2' 22 DG H8 MEDIUM 5.600E+05 7.8 1.256E+04 3.622 3.883 0.261 m D2O_250ms.dat 2.930E+07 1.5 6.494E+05 3.557 3.572 0.015 m H2O_250ms.dat 2.220E+06 0.5 1.759E+05 3.613 3.763 0.150 m H2O_80ms.dat 2.770E+06 1.2 3.428E+05 3.836 3.645 0.191 m H2O_150ms.dat 3.120E+05 0.4 7.479E+03 3.681 3.983 0.302 m D2O_150ms.dat 21 DG H2'' 21 DG H8 MEDIUM 4.740E+07 0.7 8.336E+05 3.283 3.426 0.143 m H2O_250ms.dat 4.370E+06 0.0 2.834E+05 3.227 3.475 0.248 m H2O_80ms.dat 7.730E+06 0.4 5.256E+05 3.233 3.395 0.162 m H2O_150ms.dat 1.550E+06 0.1 1.679E+04 2.818 3.481 0.663 m D2O_150ms.dat 22 DG H2'' 23 DT H6 MEDIUM 4.230E+07 4.5 9.241E+05 3.346 3.368 0.022 m H2O_250ms.dat 5.700E+05 8.3 1.467E+04 3.612 3.784 0.172 m D2O_250ms.dat 3.390E+06 11.5 4.676E+05 3.367 3.197 0.170 m H2O_80ms.dat 6.530E+06 7.8 7.145E+05 3.325 3.225 0.100 m H2O_150ms.dat 3.170E+05 5.0 8.734E+03 3.380 3.639 0.259 m D2O_80ms.dat 4.110E+05 1.7 1.243E+04 3.516 3.659 0.143 m D2O_150ms.dat 22 DG H2' 23 DT H6 ***** 2.620E+07 3.2 5.458E+05 3.624 3.677 0.053 m H2O_250ms.dat 3.580E+05 6.1 1.042E+04 3.903 4.006 0.103 * D2O_250ms.dat 1.560E+06 1.9 1.916E+05 3.832 3.710 0.122 m H2O_80ms.dat 3.140E+06 2.2 3.418E+05 3.756 3.647 0.109 m H2O_150ms.dat 1.740E+05 0.8 4.255E+03 3.735 4.102 0.367 * D2O_80ms.dat 2.780E+05 2.6 6.547E+03 3.753 4.072 0.319 * D2O_150ms.dat 22 DG H8 21 DG H8 WEAK 5.830E+06 0.6 1.703E+05 4.655 4.465 0.190 w H2O_250ms.dat 6.010E+05 0.6 4.910E+04 4.492 4.655 0.163 w H2O_80ms.dat 22 DG H2'' 22 DG H3' ***** 2.570E+07 6.4 2.690E+05 3.636 4.137 0.501 * H2O_250ms.dat 8.670E+05 6.7 1.652E+04 3.368 3.710 0.342 m D2O_250ms.dat 2.360E+06 0.4 1.745E+05 3.576 3.768 0.192 m H2O_80ms.dat 4.110E+06 2.0 3.426E+05 3.592 3.646 0.054 m H2O_150ms.dat 3.590E+05 1.8 6.530E+03 3.311 3.819 0.508 m D2O_80ms.dat 6.130E+05 6.2 1.010E+04 3.289 3.788 0.499 m D2O_150ms.dat 22 DG H4' 22 DG H8 WEAK 7.000E+06 5.7 1.739E+05 4.516 4.449 0.067 w H2O_250ms.dat 2.690E+05 0.4 3.536E+04 5.136 4.916 0.220 w H2O_80ms.dat 5.290E+05 0.7 5.862E+04 5.054 4.893 0.161 w H2O_150ms.dat 22 DG H4' 23 DT H6 WEAK 2.510E+06 0.2 6.201E+04 5.357 5.283 0.074 w H2O_250ms.dat 22 DG H5'' 22 DG H8 WEAK 1.120E+07 0.9 2.237E+05 4.175 4.266 0.091 w H2O_250ms.dat 3.990E+05 0.5 5.569E+04 4.810 4.558 0.252 w H2O_80ms.dat 1.170E+06 4.7 1.216E+05 4.428 4.333 0.095 w H2O_150ms.dat 7.390E+04 0.6 1.989E+03 4.309 4.656 0.347 w D2O_80ms.dat 3.900E+04 1.4 1.902E+03 5.206 5.004 0.202 w D2O_150ms.dat 22 DG H3' 22 DG H1' ***** 3.410E+05 3.3 7.673E+03 3.934 4.215 0.281 * D2O_250ms.dat 2.310E+06 3.5 8.845E+04 3.954 4.569 0.615 * H2O_150ms.dat 22 DG H2' 22 DG H1' MEDIUM 1.050E+06 5.4 1.219E+04 3.262 3.903 0.641 m D2O_250ms.dat 22 DG H2'' 22 DG H8 MEDIUM 5.020E+05 5.2 1.651E+04 3.689 3.710 0.021 m D2O_250ms.dat 3.710E+07 0.4 9.620E+05 3.420 3.345 0.075 m H2O_250ms.dat 1.760E+06 6.9 2.549E+05 3.756 3.537 0.219 m H2O_80ms.dat 4.630E+06 9.1 5.504E+05 3.521 3.369 0.152 m H2O_150ms.dat 1.580E+05 2.7 5.363E+03 3.796 3.947 0.151 m D2O_80ms.dat 22 DG H1' 23 DT H6 WEAK 2.300E+05 2.3 7.107E+03 4.201 4.270 0.069 w D2O_250ms.dat 7.910E+06 2.7 2.250E+05 4.424 4.262 0.162 w H2O_250ms.dat 9.080E+05 1941.4 6.450E+04 4.194 4.448 0.254 w H2O_80ms.dat 1.180E+06 0.4 8.609E+04 4.422 4.590 0.168 w H2O_150ms.dat 22 DG H2'' 23 DT H4' WEAK 1.460E+05 0.2 3.045E+04 5.687 5.041 0.646 w H2O_80ms.dat 22 DG H3' 22 DG H8 WEAK 1.040E+05 9.9 4.398E+03 4.070 4.079 0.009 w D2O_80ms.dat 22 DG H5' 22 DG H8 ***** 9.800E+04 2.5 3.614E+03 4.843 4.779 0.064 w D2O_250ms.dat 1.670E+07 1.8 3.529E+05 3.906 3.954 0.048 m H2O_250ms.dat 1.270E+06 4.2 1.740E+05 4.368 4.082 0.286 w H2O_150ms.dat 2.120E+05 0.2 2.696E+03 3.926 4.721 0.795 * D2O_150ms.dat 22 DG H2' 23 DT H4' ***** 1.460E+07 0.6 1.020E+05 3.995 4.862 0.867 * H2O_250ms.dat 22 DG H3' 23 DT H6 WEAK 6.360E+06 1.0 2.003E+05 4.588 4.345 0.243 w H2O_250ms.dat 2.150E+05 0.4 5.142E+04 5.332 4.619 0.713 w H2O_80ms.dat 6.670E+05 4.3 8.660E+04 4.863 4.585 0.278 w H2O_150ms.dat 3.370E+04 1.8 2.176E+03 4.911 4.587 0.324 w D2O_80ms.dat 22 DG H5' 22 DG H4' MEDIUM 5.600E+05 2.7 1.464E+04 3.622 3.785 0.163 m D2O_250ms.dat 22 DG H4' 22 DG H3' MEDIUM 1.220E+06 1.1 2.339E+04 3.181 3.501 0.320 m D2O_250ms.dat 1.840E+06 1.3 2.951E+05 3.728 3.452 0.276 m H2O_80ms.dat 5.920E+06 1.5 4.389E+05 3.380 3.498 0.118 m H2O_150ms.dat 6.070E+05 3.0 1.480E+04 3.033 3.332 0.299 m D2O_80ms.dat 6.500E+05 2.8 1.723E+04 3.257 3.465 0.208 m D2O_150ms.dat 22 DG H1' 22 DG H8 ***** 3.390E+05 3.5 1.058E+04 3.938 3.996 0.058 m D2O_250ms.dat 1.420E+07 2.6 4.229E+05 4.013 3.836 0.177 * H2O_250ms.dat 1.120E+06 1.8 7.931E+04 4.050 4.297 0.247 w H2O_80ms.dat 2.170E+06 3.8 1.607E+05 3.995 4.136 0.141 * H2O_150ms.dat 2.410E+05 1.9 6.161E+03 3.843 4.113 0.270 * D2O_150ms.dat 22 DG H5'' 22 DG H4' MEDIUM 1.370E+06 4.4 2.918E+04 3.120 3.374 0.254 m D2O_250ms.dat 22 DG H2' 22 DG H3' MEDIUM 3.640E+07 9.9 4.257E+05 3.431 3.832 0.401 m H2O_250ms.dat 1.580E+06 1.4 2.189E+04 3.047 3.540 0.493 m D2O_250ms.dat 3.770E+06 2.1 3.697E+05 3.308 3.325 0.017 m H2O_80ms.dat 8.770E+06 7.9 5.395E+05 3.165 3.380 0.215 m H2O_150ms.dat 8.230E+05 6.3 1.198E+04 2.883 3.452 0.569 m D2O_80ms.dat 9.180E+05 1.7 1.677E+04 3.075 3.481 0.406 m D2O_150ms.dat 22 DG H2'' 22 DG H1' MEDIUM 1.370E+06 7.6 2.019E+04 3.120 3.588 0.468 m D2O_250ms.dat 22 DG H2' 22 DG H8 MEDIUM 1.330E+08 3.6 2.597E+06 2.764 2.835 0.071 m H2O_250ms.dat 1.520E+06 3.3 4.228E+04 3.067 3.172 0.105 m D2O_250ms.dat 1.250E+07 6.9 1.438E+06 2.709 2.651 0.058 m H2O_80ms.dat 2.090E+07 0.9 2.092E+06 2.739 2.697 0.042 m H2O_150ms.dat 8.970E+05 3.6 2.382E+04 2.842 3.078 0.236 m D2O_80ms.dat 1.300E+06 2.8 3.027E+04 2.902 3.155 0.253 m D2O_150ms.dat 22 DG H4' 22 DG H1' ***** 4.510E+05 4.6 8.807E+03 3.755 4.120 0.365 * D2O_250ms.dat 1.740E+06 2.5 9.732E+04 3.763 4.153 0.390 * H2O_80ms.dat 2.890E+06 4.1 1.513E+05 3.809 4.178 0.369 * H2O_150ms.dat 22 DG H5'' 22 DG H3' ***** 7.820E+05 0.6 1.067E+04 3.426 3.990 0.564 m D2O_250ms.dat 3.160E+07 2.5 2.776E+05 3.512 4.115 0.603 * H2O_250ms.dat 8.070E+06 0.6 3.763E+05 3.210 3.589 0.379 m H2O_150ms.dat 7.980E+05 0.3 8.528E+03 2.898 3.653 0.755 m D2O_80ms.dat 7.170E+05 3.4 1.027E+04 3.204 3.778 0.574 m D2O_150ms.dat 22 DG H5' 22 DG H3' ***** 3.300E+05 1.0 6.113E+03 3.956 4.378 0.422 * D2O_250ms.dat 1.020E+07 1.0 2.962E+05 3.087 3.735 0.648 m H2O_150ms.dat 2.750E+05 1.2 4.154E+03 3.461 4.118 0.657 * D2O_80ms.dat 1.790E+05 0.6 3.692E+03 4.038 4.480 0.442 w D2O_150ms.dat 22 DG H5' 2 DG H8 WEAK 4.370E+05 8.0 8.706E+04 4.737 4.231 0.506 w H2O_80ms.dat 23 DT H7 22 DG H3' WEAK 2.020E+05 5.1 4.708E+03 4.293 4.573 0.280 w D2O_250ms.dat 23 DT H4' 23 DT H3' MEDIUM 6.240E+05 1.1 1.430E+04 3.557 3.800 0.243 m D2O_250ms.dat 7.900E+05 0.4 1.035E+04 2.903 3.537 0.634 m D2O_80ms.dat 9.250E+05 7.1 1.050E+04 3.071 3.764 0.693 m D2O_150ms.dat 23 DT H2' 23 DT H5' WEAK 3.740E+06 0.6 4.939E+04 5.013 5.487 0.474 w H2O_250ms.dat 23 DT H5' 23 DT H3' ***** 8.850E+05 2.0 6.550E+03 3.094 4.072 0.978 * D2O_150ms.dat 23 DT H2' 23 DT H6 MEDIUM 9.940E+07 3.7 2.086E+06 2.902 2.941 0.039 m H2O_250ms.dat 1.870E+06 5.9 5.010E+04 2.963 3.083 0.120 m D2O_250ms.dat 8.780E+06 9.3 1.092E+06 2.873 2.775 0.098 m H2O_80ms.dat 1.510E+07 8.2 1.645E+06 2.891 2.807 0.084 m H2O_150ms.dat 6.840E+05 3.1 2.210E+04 2.973 3.117 0.144 m D2O_80ms.dat 9.980E+05 1.5 2.768E+04 3.033 3.202 0.169 m D2O_150ms.dat 23 DT H5' 23 DT H6 WEAK 6.750E+06 0.1 1.427E+05 4.543 4.598 0.055 w H2O_250ms.dat 23 DT H3' 23 DT H6 ***** 1.940E+07 2.7 5.148E+05 3.810 3.713 0.097 m H2O_250ms.dat 4.520E+05 7.6 1.668E+04 3.754 3.704 0.050 m D2O_250ms.dat 1.020E+06 0.2 1.457E+05 4.113 3.883 0.230 * H2O_80ms.dat 2.670E+06 1.5 2.754E+05 3.859 3.781 0.078 m H2O_150ms.dat 1.210E+05 1.9 4.523E+03 3.969 4.060 0.091 * D2O_80ms.dat 2.800E+05 1.4 1.002E+04 3.748 3.793 0.045 m D2O_150ms.dat 23 DT H2'' 23 DT H6 ***** 1.040E+06 1.6 2.740E+04 3.267 3.410 0.143 m D2O_250ms.dat 3.970E+07 0.8 9.218E+05 3.381 3.369 0.012 m H2O_250ms.dat 2.040E+06 5.7 2.193E+05 3.664 3.627 0.037 m H2O_80ms.dat 5.000E+06 2.5 4.547E+05 3.476 3.478 0.002 m H2O_150ms.dat 1.850E+05 1.4 4.564E+03 3.698 4.054 0.356 * D2O_80ms.dat 23 DT H2' 23 DT H3' MEDIUM 4.220E+07 5.9 3.353E+05 3.347 3.988 0.641 m H2O_250ms.dat 1.630E+06 7.6 2.158E+04 3.031 3.548 0.517 m D2O_250ms.dat 3.140E+06 1.0 3.534E+05 3.410 3.350 0.060 m H2O_80ms.dat 5.220E+06 6.4 3.205E+05 3.451 3.687 0.236 m H2O_150ms.dat 4.990E+05 1.1 1.170E+04 3.134 3.465 0.331 m D2O_80ms.dat 6.610E+05 5.2 1.004E+04 3.248 3.792 0.544 m D2O_150ms.dat 23 DT H2' 23 DT H4' ***** 2.970E+07 3.1 1.507E+05 3.549 4.556 1.007 * H2O_250ms.dat 7.070E+05 1.0 6.234E+04 4.372 4.473 0.101 w H2O_80ms.dat 2.040E+06 4.6 9.523E+04 4.036 4.513 0.477 w H2O_150ms.dat 23 DT H2'' 23 DT H1' MEDIUM 2.350E+06 5.3 3.313E+04 2.852 3.303 0.451 m D2O_250ms.dat 23 DT H2' 23 DT H1' MEDIUM 1.430E+06 7.2 1.598E+04 3.098 3.730 0.632 m D2O_250ms.dat 23 DT H4' 23 DT H6 WEAK 2.590E+05 5.5 4.500E+03 4.119 4.608 0.489 w D2O_250ms.dat 23 DT H6 22 DG H8 ***** 8.090E+06 0.4 2.539E+05 4.408 4.177 0.231 w H2O_250ms.dat 1.380E+06 1.0 6.931E+04 3.911 4.395 0.484 * H2O_80ms.dat 2.250E+06 2.5 1.094E+05 3.971 4.410 0.439 * H2O_150ms.dat 23 DT H1' 23 DT H6 ***** 3.530E+05 4.7 1.212E+04 3.912 3.906 0.006 m D2O_250ms.dat 1.410E+07 0.9 3.937E+05 4.018 3.882 0.136 * H2O_250ms.dat 1.050E+06 0.8 1.448E+05 4.093 3.887 0.206 * H2O_80ms.dat 1.900E+06 1.1 2.452E+05 4.084 3.855 0.229 * H2O_150ms.dat 23 DT H7 10 DA H2 WEAK 2.430E+06 0.3 8.302E+04 5.386 5.032 0.354 w H2O_250ms.dat 5.190E+05 1.9 4.618E+04 5.071 5.092 0.021 w H2O_150ms.dat 23 DT H4' 22 DG H1' WEAK 2.420E+05 3.2 3.512E+03 4.166 4.802 0.636 w D2O_250ms.dat 23 DT H7 22 DG H8 MEDIUM 2.710E+07 6.9 7.725E+05 3.604 3.470 0.134 m H2O_250ms.dat 5.500E+05 2.3 2.276E+04 3.633 3.517 0.116 m D2O_250ms.dat 1.770E+06 5.8 2.848E+05 3.752 3.473 0.279 m H2O_80ms.dat 3.650E+06 4.1 4.921E+05 3.663 3.432 0.231 m H2O_150ms.dat 1.580E+05 2.8 8.797E+03 3.796 3.634 0.162 m D2O_80ms.dat 3.000E+05 5.2 1.380E+04 3.705 3.596 0.109 m D2O_150ms.dat 23 DT H2'' 23 DT H4' ***** 2.190E+07 3.4 2.275E+05 3.734 4.254 0.520 * H2O_250ms.dat 1.070E+06 3.5 7.825E+04 4.080 4.307 0.227 w H2O_80ms.dat 2.610E+06 5.5 1.390E+05 3.874 4.237 0.363 * H2O_150ms.dat 23 DT H7 23 DT H6 MEDIUM 9.120E+07 4.9 2.083E+06 2.944 2.941 0.003 m H2O_250ms.dat 1.940E+06 7.8 6.485E+04 2.945 2.954 0.009 m D2O_250ms.dat 6.760E+06 2.5 9.758E+05 3.001 2.828 0.173 m H2O_80ms.dat 1.210E+07 5.3 1.557E+06 3.000 2.833 0.167 m H2O_150ms.dat 6.610E+05 6.8 3.095E+04 2.990 2.947 0.043 m D2O_80ms.dat 1.070E+06 5.5 4.498E+04 2.998 2.953 0.045 m D2O_150ms.dat 23 DT H2'' 23 DT H3' ***** 2.770E+07 4.3 2.480E+05 3.590 4.193 0.603 * H2O_250ms.dat 1.070E+06 4.2 1.646E+04 3.252 3.712 0.460 m D2O_250ms.dat 1.040E+06 0.4 1.067E+05 4.100 4.090 0.010 w H2O_80ms.dat 2.670E+06 1.6 1.970E+05 3.859 3.998 0.139 m H2O_150ms.dat 7.030E+04 0.9 4.587E+03 4.345 4.051 0.294 w D2O_80ms.dat 5.800E+05 4.6 2.783E+03 3.320 4.696 1.376 * D2O_150ms.dat 23 DT H4' 23 DT H1' MEDIUM 1.200E+06 2.3 2.388E+04 3.190 3.489 0.299 m D2O_250ms.dat EXCHANGEABLE PEAK LIST (3 NOESYs at 80, 150 and 250 ms in H2O) H2O_80ms: Nr1 N1 A1 Nr2 N2 A2 2 G H1 7 G H1 6 G H1 5 A H2 8 G H1 7 G H1 8 G H1 10 A H8 8 G H1 22 G H1 10 A H1' 11 G H1 10 A H2 11 G H1 10 A H2 14 G H1 11 G H1 10 A H2 12 G H1 20 G H1 13 G H1 20 G H1 14 G H1 10 A H2 14 G H1 13 G H1 14 G H1 22 G H1 19 A H2 20 G H1 20 G H1 19 A H2 22 G H1 10 A H2 22 G H1 21 G H1 H2O_150ms: Nr1 N1 A1 Nr2 N2 A2 1 G H1 13 G H8 1 G H22 1 G H1 1 G H8 8 G H1 2 G H1 7 G H1 2 G H8 12 G H1 5 A H2 6 G H1 5 A H2' 6 G H1 5 A H8 6 G H1 6 G H1 2 G H1 6 G H1 5 A H2 6 G H1 5 A H8 6 G H1 19 A H2 6 G H1 20 G H8 7 G H1 1 G H8 7 G H21 7 G H1 7 G H22 7 G H1 7 G H8 21 G H1 7 G H8 22 G H1 8 G H1 1 G H1 8 G H1 1 G H8 8 G H1 7 G H1 8 G H1 10 A H8 8 G H1 22 G H1 8 G H8 22 G H1 10 A H1' 11 G H1 10 A H2 11 G H1 10 A H2 14 G H1 10 A H2 22 G H1 11 G H1 1 G H1 11 G H1 10 A H2 11 G H1 13 G H8 11 G H1 14 G H8 11 G H2'' 1 G H1 11 G H8 8 G H1 12 G H1 2 G H1 12 G H1 2 G H8 12 G H1 19 A H2 12 G H1 20 G H1 13 G H1 20 G H1 13 G H1 21 G H8 13 G H2'' 11 G H1 13 G H8 11 G H1 14 G H1 10 A H2 14 G H1 13 G H1 14 G H1 21 G H8 14 G H1 22 G H1 14 G H1 22 G H8 14 G H8 11 G H1 19 A H2 12 G H1 19 A H2 20 G H1 19 A H2'' 20 G H1 20 G H1 2 G H8 20 G H1 19 A H2 20 G H21/2 20 G H1 20 G H8 6 G H1 21 G H1 7 G H1 21 G H8 14 G H1 22 G H1 7 G H8 22 G H1 8 G H8 22 G H1 10 A H2 22 G H1 21 G H1 22 G H8 14 G H1 23 T H7 14 G H1 H2O_250ms: Nr1 N1 A1 Nr2 N2 A2 1 G H1 7 G H1 1 G H1 11 G H8 1 G H1 13 G H8 1 G H8 7 G H1 1 G H8 8 G H1 2 G H1 6 G H8 2 G H1 7 G H1 2 G H1 19 A H2 2 G H8 12 G H1 5 A H2 6 G H1 5 A H2' 6 G H1 5 A H2'' 6 G H1 6 G H1 2 G H1 6 G H1 5 A H2 6 G H1 5 A H8 6 G H1 19 A H2 6 G H1 20 G H1 6 G H1 20 G H8 6 G H8 2 G H1 7 G H1 1 G H8 7 G H8 21 G H1 7 G H8 22 G H1 8 G H1 1 G H1 8 G H1 1 G H8 8 G H1 7 G H1 8 G H1 10 A H2 8 G H1 10 A H8 8 G H1 11 G H8 8 G H1 22 G H1 8 G H8 22 G H1 9 C H2' 8 G H1 9 C H2'' 8 G H1 10 A H1' 11 G H1 10 A H2 11 G H1 10 A H2 14 G H1 10 A H2 22 G H1 11 G H1 1 G H1 11 G H1 10 A H2 11 G H1 13 G H8 11 G H1 14 G H8 11 G H2'' 1 G H1 11 G H8 1 G H1 11 G H8 8 G H1 12 G H1 2 G H1 12 G H1 2 G H8 12 G H1 19 A H2 12 G H1 20 G H1 13 G H1 20 G H1 13 G H1 21 G H8 13 G H2' 11 G H1 13 G H2'' 11 G H1 13 G H8 1 G H1 13 G H8 11 G H1 14 G H1 10 A H2 14 G H1 13 G H1 14 G H1 21 G H8 14 G H1 22 G H1 14 G H1 22 G H8 14 G H8 11 G H1 19 A H2 12 G H1 19 A H2 20 G H1 20 G H1 2 G H8 20 G H1 19 A H2 20 G H8 6 G H1 21 G H1 7 G H1 21 G H1 7 G H8 21 G H8 13 G H1 21 G H8 14 G H1 22 G H1 7 G H8 22 G H1 8 G H8 22 G H1 10 A H2 22 G H1 21 G H1 22 G H8 14 G H1 23 T H7 14 G H1 ; 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 . . 13020.8 Hz . . . 4.42 . . 34145 1 2 . . H 1 H . . 13020.8 Hz . . . 4.42 . . 34145 1 stop_ save_