data_c18199_2loa ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c18199_2loa _Entry.Title ; Structural Basis for Bifunctional Zn(II) Macrocyclic Complex Recognition of Thymine Bulges in DNA. Structure of a Thymine bulge. ; _Entry.Version_type original _Entry.Submission_date 2012-01-23 _Entry.Accession_date 2012-01-23 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.24 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'NMR structure of a d(GGCCGCAGTGCC)sequence' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Janet Morrow . R. . c18199_2loa 2 Matthew Fountain . A. . c18199_2loa 3 'Imee Marie' 'del Mundo' . A . c18199_2loa 4 Kevin Siter . E. . c18199_2loa stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . c18199_2loa stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'thymine bulge' . c18199_2loa hairpin . c18199_2loa 'Bifunctional Zn(II) Macrocyclic Complex' . c18199_2loa 'Recognition of Thymine Bulges' . c18199_2loa DNA . c18199_2loa stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c18199_2loa stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 55 c18199_2loa 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 . . 2012-05-10 2012-01-17 update BMRB 'update entry citation' c18199_2loa 1 . . 2012-05-08 2012-01-17 original author 'original release' c18199_2loa stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID c18199_2loa _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22507054 _Citation.Full_citation . _Citation.Title 'Structural Basis for Bifunctional Zinc(II) Macrocyclic Complex Recognition of Thymine Bulges in DNA.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Inorg. Chem.' _Citation.Journal_name_full 'Inorganic chemistry' _Citation.Journal_volume 51 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 5444 _Citation.Page_last 5457 _Citation.Year 2012 _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.Entry_ID _Citation_author.Citation_ID 1 'Imee Marie A' 'Del Mundo' . . . c18199_2loa 1 2 Kevin Siters . E. . c18199_2loa 1 3 Matthew Fountain . A. . c18199_2loa 1 4 Janet Morrow . R. . c18199_2loa 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c18199_2loa _Assembly.ID 1 _Assembly.Name DNA_1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 DNA_1 1 $DNA_1 A . yes native no no . . . c18199_2loa 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DNA_1 _Entity.Sf_category entity _Entity.Sf_framecode DNA_1 _Entity.Entry_ID c18199_2loa _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DNA_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 GGCCGCAGTGCC _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 12 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3664.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 DG . c18199_2loa 1 2 2 DG . c18199_2loa 1 3 3 DC . c18199_2loa 1 4 4 DC . c18199_2loa 1 5 5 DG . c18199_2loa 1 6 6 DC . c18199_2loa 1 7 7 DA . c18199_2loa 1 8 8 DG . c18199_2loa 1 9 9 DT . c18199_2loa 1 10 10 DG . c18199_2loa 1 11 11 DC . c18199_2loa 1 12 12 DC . c18199_2loa 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 c18199_2loa 1 . DG 2 2 c18199_2loa 1 . DC 3 3 c18199_2loa 1 . DC 4 4 c18199_2loa 1 . DG 5 5 c18199_2loa 1 . DC 6 6 c18199_2loa 1 . DA 7 7 c18199_2loa 1 . DG 8 8 c18199_2loa 1 . DT 9 9 c18199_2loa 1 . DG 10 10 c18199_2loa 1 . DC 11 11 c18199_2loa 1 . DC 12 12 c18199_2loa 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 c18199_2loa _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $DNA_1 . . 'not applicable' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c18199_2loa 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 c18199_2loa _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $DNA_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c18199_2loa 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c18199_2loa _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.1M NaCl 0.02M HEPES Buffer pD(7.9)' _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 DNA_1 'natural abundance' . . 1 $DNA_1 . . 1.8 . . mM . . . . c18199_2loa 1 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . c18199_2loa 1 3 NaCl 'natural abundance' . . . . . . 0.1 . . M . . . . c18199_2loa 1 4 HEPES 'natural abundance' . . . . . . 0.02 . . M . . . . c18199_2loa 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID c18199_2loa _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.1M NaCl 0.02M HEPES Buffer pD(7.9)' _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 DNA_1 'natural abundance' . . 1 $DNA_1 . . 1.8 . . mM . . . . c18199_2loa 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . c18199_2loa 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . c18199_2loa 2 4 NaCl 'natural abundance' . . . . . . 0.1 . . M . . . . c18199_2loa 2 5 HEPES 'natural abundance' . . . . . . 0.02 . . M . . . . c18199_2loa 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID c18199_2loa _Sample_condition_list.ID 1 _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 temperature 273 . K c18199_2loa 1 pD 7.9 . pH c18199_2loa 1 pressure 1 . atm c18199_2loa 1 'ionic strength' 0.1 . M c18199_2loa 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID c18199_2loa _Sample_condition_list.ID 2 _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 temperature 288 . K c18199_2loa 2 pD 7.9 . pH c18199_2loa 2 pressure 1 . atm c18199_2loa 2 'ionic strength' 0.1 . M c18199_2loa 2 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID c18199_2loa _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . c18199_2loa 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' c18199_2loa 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID c18199_2loa _Software.ID 2 _Software.Name SPARKY _Software.Version 3.14 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . c18199_2loa 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' c18199_2loa 2 'data analysis' c18199_2loa 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID c18199_2loa _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 c18199_2loa _NMR_spectrometer_list.ID 1 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 spectrometer_1 Varian INOVA . 500 . . . c18199_2loa 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 c18199_2loa _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.X_ray_instrument_ID _Experiment.X_ray_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 DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c18199_2loa 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c18199_2loa 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c18199_2loa 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c18199_2loa 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID c18199_2loa _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.80 na direct 1 . . . . . . . . . c18199_2loa 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID c18199_2loa _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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 DQF-COSY' . . . c18199_2loa 1 2 '2D 1H-1H TOCSY' . . . c18199_2loa 1 3 '2D 1H-1H NOESY' . . . c18199_2loa 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.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 2 2 DG H1' H 1 6.135 . . . . . . A 2 DG H1' . c18199_2loa 1 2 . 1 1 2 2 DG H2' H 1 2.749 . . . . . . A 2 DG H2' . c18199_2loa 1 3 . 1 1 2 2 DG H2'' H 1 2.921 . . . . . . A 2 DG H2'' . c18199_2loa 1 4 . 1 1 2 2 DG H8 H 1 8.095 . . . . . . A 2 DG H8 . c18199_2loa 1 5 . 1 1 3 3 DC H1' H 1 6.45 . . . . . . A 3 DC H1' . c18199_2loa 1 6 . 1 1 3 3 DC H2' H 1 2.15 . . . . . . A 3 DC H2' . c18199_2loa 1 7 . 1 1 3 3 DC H2'' H 1 2.394 . . . . . . A 3 DC H2'' . c18199_2loa 1 8 . 1 1 3 3 DC H5 H 1 5.693 . . . . . . A 3 DC H5 . c18199_2loa 1 9 . 1 1 3 3 DC H6 H 1 7.753 . . . . . . A 3 DC H6 . c18199_2loa 1 10 . 1 1 4 4 DC H1' H 1 6.287 . . . . . . A 4 DC H1' . c18199_2loa 1 11 . 1 1 4 4 DC H2' H 1 1.84 . . . . . . A 4 DC H2' . c18199_2loa 1 12 . 1 1 4 4 DC H2'' H 1 2.417 . . . . . . A 4 DC H2'' . c18199_2loa 1 13 . 1 1 4 4 DC H5 H 1 5.873 . . . . . . A 4 DC H5 . c18199_2loa 1 14 . 1 1 4 4 DC H6 H 1 7.544 . . . . . . A 4 DC H6 . c18199_2loa 1 15 . 1 1 5 5 DG H1' H 1 5.945 . . . . . . A 5 DG H1' . c18199_2loa 1 16 . 1 1 5 5 DG H2' H 1 2.836 . . . . . . A 5 DG H2' . c18199_2loa 1 17 . 1 1 5 5 DG H2'' H 1 2.647 . . . . . . A 5 DG H2'' . c18199_2loa 1 18 . 1 1 5 5 DG H3' H 1 5.024 . . . . . . A 5 DG H3' . c18199_2loa 1 19 . 1 1 5 5 DG H8 H 1 8.29 . . . . . . A 5 DG H8 . c18199_2loa 1 20 . 1 1 6 6 DC H1' H 1 5.875 . . . . . . A 6 DC H1' . c18199_2loa 1 21 . 1 1 6 6 DC H2' H 1 1.657 . . . . . . A 6 DC H2' . c18199_2loa 1 22 . 1 1 6 6 DC H2'' H 1 2.225 . . . . . . A 6 DC H2'' . c18199_2loa 1 23 . 1 1 6 6 DC H5 H 1 5.423 . . . . . . A 6 DC H5 . c18199_2loa 1 24 . 1 1 6 6 DC H6 H 1 7.405 . . . . . . A 6 DC H6 . c18199_2loa 1 25 . 1 1 7 7 DA H8 H 1 7.915 . . . . . . A 7 DA H8 . c18199_2loa 1 26 . 1 1 8 8 DG H1' H 1 5.39 . . . . . . A 8 DG H1' . c18199_2loa 1 27 . 1 1 8 8 DG H2' H 1 2.21 . . . . . . A 8 DG H2' . c18199_2loa 1 28 . 1 1 8 8 DG H2'' H 1 2.723 . . . . . . A 8 DG H2'' . c18199_2loa 1 29 . 1 1 8 8 DG H3' H 1 5.099 . . . . . . A 8 DG H3' . c18199_2loa 1 30 . 1 1 8 8 DG H8 H 1 8.079 . . . . . . A 8 DG H8 . c18199_2loa 1 31 . 1 1 9 9 DT H1' H 1 6.724 . . . . . . A 9 DT H1' . c18199_2loa 1 32 . 1 1 9 9 DT H2' H 1 2.563 . . . . . . A 9 DT H2' . c18199_2loa 1 33 . 1 1 9 9 DT H2'' H 1 2.482 . . . . . . A 9 DT H2'' . c18199_2loa 1 34 . 1 1 9 9 DT H3' H 1 5.222 . . . . . . A 9 DT H3' . c18199_2loa 1 35 . 1 1 9 9 DT H6 H 1 8.018 . . . . . . A 9 DT H6 . c18199_2loa 1 36 . 1 1 9 9 DT H71 H 1 2.232 . . . . . . A 9 DT H71 . c18199_2loa 1 37 . 1 1 9 9 DT H72 H 1 2.232 . . . . . . A 9 DT H72 . c18199_2loa 1 38 . 1 1 9 9 DT H73 H 1 2.232 . . . . . . A 9 DT H73 . c18199_2loa 1 39 . 1 1 10 10 DG H1' H 1 6.273 . . . . . . A 10 DG H1' . c18199_2loa 1 40 . 1 1 10 10 DG H2' H 1 2.236 . . . . . . A 10 DG H2' . c18199_2loa 1 41 . 1 1 10 10 DG H2'' H 1 2.313 . . . . . . A 10 DG H2'' . c18199_2loa 1 42 . 1 1 10 10 DG H3' H 1 4.562 . . . . . . A 10 DG H3' . c18199_2loa 1 43 . 1 1 10 10 DG H8 H 1 7.652 . . . . . . A 10 DG H8 . c18199_2loa 1 44 . 1 1 11 11 DC H1' H 1 5.726 . . . . . . A 11 DC H1' . c18199_2loa 1 45 . 1 1 11 11 DC H2' H 1 2.406 . . . . . . A 11 DC H2' . c18199_2loa 1 46 . 1 1 11 11 DC H2'' H 1 2.594 . . . . . . A 11 DC H2'' . c18199_2loa 1 47 . 1 1 11 11 DC H5 H 1 5.328 . . . . . . A 11 DC H5 . c18199_2loa 1 48 . 1 1 11 11 DC H6 H 1 7.656 . . . . . . A 11 DC H6 . c18199_2loa 1 stop_ save_ ############################## # Structure determinations # ############################## ########################## # Conformer statistics # ########################## save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID c18199_2loa _Conformer_stat_list.ID 1 _Conformer_stat_list.Conf_family_coord_set_ID 1 _Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures _Conformer_stat_list.Conformer_submitted_total_num 1 save_ ##################################### # Conformer family coordinate set # ##################################### save_ensemble_of_conformers _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Sf_framecode ensemble_of_conformers _Conformer_family_coord_set.Entry_ID c18199_2loa _Conformer_family_coord_set.ID 1 loop_ _Conformer_family_refinement.Refine_method _Conformer_family_refinement.Refine_details _Conformer_family_refinement.Software_ID _Conformer_family_refinement.Software_label _Conformer_family_refinement.Entry_ID _Conformer_family_refinement.Conformer_family_coord_set_ID 1 . . . c18199_2loa 1 stop_ loop_ _Conformer_family_software.Software_ID _Conformer_family_software.Software_label _Conformer_family_software.Method_ID _Conformer_family_software.Method_label _Conformer_family_software.Entry_ID _Conformer_family_software.Conformer_family_coord_set_ID . . . . c18199_2loa 1 stop_ loop_ _Atom_site.Assembly_ID _Atom_site.Model_ID _Atom_site.Model_site_ID _Atom_site.ID _Atom_site.Assembly_atom_ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Cartn_x_esd _Atom_site.Cartn_y_esd _Atom_site.Cartn_z_esd _Atom_site.Occupancy _Atom_site.Occupancy_esd _Atom_site.Uncertainty _Atom_site.Ordered_flag _Atom_site.Footnote_ID _Atom_site.PDBX_label_asym_ID _Atom_site.PDBX_label_seq_ID _Atom_site.PDBX_label_comp_ID _Atom_site.PDBX_label_atom_ID _Atom_site.PDBX_formal_charge _Atom_site.PDBX_label_entity_ID _Atom_site.PDB_record_ID _Atom_site.PDB_model_num _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Auth_entity_assembly_ID _Atom_site.Auth_asym_ID _Atom_site.Auth_chain_ID _Atom_site.Auth_seq_ID _Atom_site.Auth_comp_ID _Atom_site.Auth_atom_ID _Atom_site.Auth_alt_ID _Atom_site.Auth_atom_name _Atom_site.Details _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID . 1 . 1 . 1 1 1 DG C1' C 7.210 2.935 -8.433 . . . 1.0 . . . . . . . . . . . . A . 2 DG C1' . . . . . . . . . c18199_2loa 1 . 1 . 2 . 1 1 1 DG C2 C 5.017 6.684 -8.047 . . . 1.0 . . . . . . . . . . . . A . 2 DG C2 . . . . . . . . . c18199_2loa 1 . 1 . 3 . 1 1 1 DG C2' C 8.681 2.538 -8.513 . . . 1.0 . . . . . . . . . . . . A . 2 DG C2' . . . . . . . . . c18199_2loa 1 . 1 . 4 . 1 1 1 DG C3' C 8.585 1.265 -9.306 . . . 1.0 . . . . . . . . . . . . A . 2 DG C3' . . . . . . . . . c18199_2loa 1 . 1 . 5 . 1 1 1 DG C4 C 6.183 4.962 -7.295 . . . 1.0 . . . . . . . . . . . . A . 2 DG C4 . . . . . . . . . c18199_2loa 1 . 1 . 6 . 1 1 1 DG C4' C 7.296 0.595 -8.838 . . . 1.0 . . . . . . . . . . . . A . 2 DG C4' . . . . . . . . . c18199_2loa 1 . 1 . 7 . 1 1 1 DG C5 C 6.137 5.400 -6.009 . . . 1.0 . . . . . . . . . . . . A . 2 DG C5 . . . . . . . . . c18199_2loa 1 . 1 . 8 . 1 1 1 DG C5' C 7.488 -0.435 -7.748 . . . 1.0 . . . . . . . . . . . . A . 2 DG C5' . . . . . . . . . c18199_2loa 1 . 1 . 9 . 1 1 1 DG C6 C 5.452 6.608 -5.758 . . . 1.0 . . . . . . . . . . . . A . 2 DG C6 . . . . . . . . . c18199_2loa 1 . 1 . 10 . 1 1 1 DG C8 C 7.237 3.582 -5.982 . . . 1.0 . . . . . . . . . . . . A . 2 DG C8 . . . . . . . . . c18199_2loa 1 . 1 . 11 . 1 1 1 DG H1 H 4.385 8.110 -6.713 . . . 1.0 . . . . . . . . . . . . A . 2 DG H1 . . . . . . . . . c18199_2loa 1 . 1 . 12 . 1 1 1 DG H1' H 6.924 3.448 -9.351 . . . 1.0 . . . . . . . . . . . . A . 2 DG H1' . . . . . . . . . c18199_2loa 1 . 1 . 13 . 1 1 1 DG H2' H 9.111 2.313 -7.539 . . . 1.0 . . . . . . . . . . . . A . 2 DG H2' . . . . . . . . . c18199_2loa 1 . 1 . 14 . 1 1 1 DG H2'' H 9.316 3.239 -9.050 . . . 1.0 . . . . . . . . . . . . A . 2 DG H2'' . . . . . . . . . c18199_2loa 1 . 1 . 15 . 1 1 1 DG H21 H 3.945 8.275 -8.721 . . . 1.0 . . . . . . . . . . . . A . 2 DG H21 . . . . . . . . . c18199_2loa 1 . 1 . 16 . 1 1 1 DG H22 H 4.431 7.123 -9.945 . . . 1.0 . . . . . . . . . . . . A . 2 DG H22 . . . . . . . . . c18199_2loa 1 . 1 . 17 . 1 1 1 DG H3' H 9.444 0.610 -9.153 . . . 1.0 . . . . . . . . . . . . A . 2 DG H3' . . . . . . . . . c18199_2loa 1 . 1 . 18 . 1 1 1 DG H4' H 6.849 0.112 -9.708 . . . 1.0 . . . . . . . . . . . . A . 2 DG H4' . . . . . . . . . c18199_2loa 1 . 1 . 19 . 1 1 1 DG H5' H 6.505 -0.753 -7.398 . . . 1.0 . . . . . . . . . . . . A . 2 DG H5' . . . . . . . . . c18199_2loa 1 . 1 . 20 . 1 1 1 DG H5'' H 7.987 -1.304 -8.179 . . . 1.0 . . . . . . . . . . . . A . 2 DG H5'' . . . . . . . . . c18199_2loa 1 . 1 . 21 . 1 1 1 DG H8 H 7.809 2.715 -5.687 . . . 1.0 . . . . . . . . . . . . A . 2 DG H8 . . . . . . . . . c18199_2loa 1 . 1 . 22 . 1 1 1 DG HO5' H 9.196 0.415 -7.043 . . . 1.0 . . . . . . . . . . . . A . 2 DG HO5' . . . . . . . . . c18199_2loa 1 . 1 . 23 . 1 1 1 DG N1 N 4.889 7.242 -6.823 . . . 1.0 . . . . . . . . . . . . A . 2 DG N1 . . . . . . . . . c18199_2loa 1 . 1 . 24 . 1 1 1 DG N2 N 4.416 7.420 -8.979 . . . 1.0 . . . . . . . . . . . . A . 2 DG N2 . . . . . . . . . c18199_2loa 1 . 1 . 25 . 1 1 1 DG N3 N 5.643 5.546 -8.400 . . . 1.0 . . . . . . . . . . . . A . 2 DG N3 . . . . . . . . . c18199_2loa 1 . 1 . 26 . 1 1 1 DG N7 N 6.797 4.541 -5.173 . . . 1.0 . . . . . . . . . . . . A . 2 DG N7 . . . . . . . . . c18199_2loa 1 . 1 . 27 . 1 1 1 DG N9 N 6.893 3.790 -7.270 . . . 1.0 . . . . . . . . . . . . A . 2 DG N9 . . . . . . . . . c18199_2loa 1 . 1 . 28 . 1 1 1 DG O3' O 8.503 1.525 -10.706 . . . 1.0 . . . . . . . . . . . . A . 2 DG O3' . . . . . . . . . c18199_2loa 1 . 1 . 29 . 1 1 1 DG O4' O 6.562 1.687 -8.340 . . . 1.0 . . . . . . . . . . . . A . 2 DG O4' . . . . . . . . . c18199_2loa 1 . 1 . 30 . 1 1 1 DG O5' O 8.256 0.118 -6.681 . . . 1.0 . . . . . . . . . . . . A . 2 DG O5' . . . . . . . . . c18199_2loa 1 . 1 . 31 . 1 1 1 DG O6 O 5.321 7.136 -4.655 . . . 1.0 . . . . . . . . . . . . A . 2 DG O6 . . . . . . . . . c18199_2loa 1 . 1 . 32 . 1 1 2 DC C1' C 8.198 6.147 -11.996 . . . 1.0 . . . . . . . . . . . . A . 3 DC C1' . . . . . . . . . c18199_2loa 1 . 1 . 33 . 1 1 2 DC C2 C 7.683 7.313 -9.894 . . . 1.0 . . . . . . . . . . . . A . 3 DC C2 . . . . . . . . . c18199_2loa 1 . 1 . 34 . 1 1 2 DC C2' C 9.462 6.116 -12.850 . . . 1.0 . . . . . . . . . . . . A . 3 DC C2' . . . . . . . . . c18199_2loa 1 . 1 . 35 . 1 1 2 DC C3' C 8.972 5.347 -14.046 . . . 1.0 . . . . . . . . . . . . A . 3 DC C3' . . . . . . . . . c18199_2loa 1 . 1 . 36 . 1 1 2 DC C4 C 8.837 6.879 -7.921 . . . 1.0 . . . . . . . . . . . . A . 3 DC C4 . . . . . . . . . c18199_2loa 1 . 1 . 37 . 1 1 2 DC C4' C 7.956 4.351 -13.496 . . . 1.0 . . . . . . . . . . . . A . 3 DC C4' . . . . . . . . . c18199_2loa 1 . 1 . 38 . 1 1 2 DC C5 C 9.659 5.895 -8.586 . . . 1.0 . . . . . . . . . . . . A . 3 DC C5 . . . . . . . . . c18199_2loa 1 . 1 . 39 . 1 1 2 DC C5' C 8.470 2.933 -13.382 . . . 1.0 . . . . . . . . . . . . A . 3 DC C5' . . . . . . . . . c18199_2loa 1 . 1 . 40 . 1 1 2 DC C6 C 9.426 5.687 -9.890 . . . 1.0 . . . . . . . . . . . . A . 3 DC C6 . . . . . . . . . c18199_2loa 1 . 1 . 41 . 1 1 2 DC H1' H 7.529 6.924 -12.366 . . . 1.0 . . . . . . . . . . . . A . 3 DC H1' . . . . . . . . . c18199_2loa 1 . 1 . 42 . 1 1 2 DC H2' H 10.273 5.561 -12.384 . . . 1.0 . . . . . . . . . . . . A . 3 DC H2' . . . . . . . . . c18199_2loa 1 . 1 . 43 . 1 1 2 DC H2'' H 9.814 7.091 -13.180 . . . 1.0 . . . . . . . . . . . . A . 3 DC H2'' . . . . . . . . . c18199_2loa 1 . 1 . 44 . 1 1 2 DC H3' H 9.779 4.834 -14.572 . . . 1.0 . . . . . . . . . . . . A . 3 DC H3' . . . . . . . . . c18199_2loa 1 . 1 . 45 . 1 1 2 DC H4' H 7.096 4.365 -14.167 . . . 1.0 . . . . . . . . . . . . A . 3 DC H4' . . . . . . . . . c18199_2loa 1 . 1 . 46 . 1 1 2 DC H41 H 8.479 7.794 -6.144 . . . 1.0 . . . . . . . . . . . . A . 3 DC H41 . . . . . . . . . c18199_2loa 1 . 1 . 47 . 1 1 2 DC H42 H 9.760 6.601 -6.133 . . . 1.0 . . . . . . . . . . . . A . 3 DC H42 . . . . . . . . . c18199_2loa 1 . 1 . 48 . 1 1 2 DC H5 H 10.420 5.364 -8.033 . . . 1.0 . . . . . . . . . . . . A . 3 DC H5 . . . . . . . . . c18199_2loa 1 . 1 . 49 . 1 1 2 DC H5' H 7.659 2.302 -13.015 . . . 1.0 . . . . . . . . . . . . A . 3 DC H5' . . . . . . . . . c18199_2loa 1 . 1 . 50 . 1 1 2 DC H5'' H 8.740 2.584 -14.380 . . . 1.0 . . . . . . . . . . . . A . 3 DC H5'' . . . . . . . . . c18199_2loa 1 . 1 . 51 . 1 1 2 DC H6 H 10.011 4.962 -10.435 . . . 1.0 . . . . . . . . . . . . A . 3 DC H6 . . . . . . . . . c18199_2loa 1 . 1 . 52 . 1 1 2 DC N1 N 8.463 6.368 -10.558 . . . 1.0 . . . . . . . . . . . . A . 3 DC N1 . . . . . . . . . c18199_2loa 1 . 1 . 53 . 1 1 2 DC N3 N 7.906 7.533 -8.585 . . . 1.0 . . . . . . . . . . . . A . 3 DC N3 . . . . . . . . . c18199_2loa 1 . 1 . 54 . 1 1 2 DC N4 N 9.042 7.110 -6.630 . . . 1.0 . . . . . . . . . . . . A . 3 DC N4 . . . . . . . . . c18199_2loa 1 . 1 . 55 . 1 1 2 DC O2 O 6.814 7.917 -10.532 . . . 1.0 . . . . . . . . . . . . A . 3 DC O2 . . . . . . . . . c18199_2loa 1 . 1 . 56 . 1 1 2 DC O3' O 8.334 6.202 -14.992 . . . 1.0 . . . . . . . . . . . . A . 3 DC O3' . . . . . . . . . c18199_2loa 1 . 1 . 57 . 1 1 2 DC O4' O 7.646 4.869 -12.221 . . . 1.0 . . . . . . . . . . . . A . 3 DC O4' . . . . . . . . . c18199_2loa 1 . 1 . 58 . 1 1 2 DC O5' O 9.591 2.888 -12.503 . . . 1.0 . . . . . . . . . . . . A . 3 DC O5' . . . . . . . . . c18199_2loa 1 . 1 . 59 . 1 1 2 DC OP1 O 9.918 0.417 -12.471 . . . 1.0 . . . . . . . . . . . . A . 3 DC OP1 . . . . . . . . . c18199_2loa 1 . 1 . 60 . 1 1 2 DC OP2 O 10.997 1.877 -10.709 . . . 1.0 . . . . . . . . . . . . A . 3 DC OP2 . . . . . . . . . c18199_2loa 1 . 1 . 61 . 1 1 2 DC P P 9.837 1.600 -11.586 . . . 1.0 . . . . . . . . . . . . A . 3 DC P . . . . . . . . . c18199_2loa 1 . 1 . 62 . 1 1 3 DC C1' C 12.534 8.660 -14.490 . . . 1.0 . . . . . . . . . . . . A . 4 DC C1' . . . . . . . . . c18199_2loa 1 . 1 . 63 . 1 1 3 DC C2 C 12.153 9.022 -12.088 . . . 1.0 . . . . . . . . . . . . A . 4 DC C2 . . . . . . . . . c18199_2loa 1 . 1 . 64 . 1 1 3 DC C2' C 12.824 7.588 -15.536 . . . 1.0 . . . . . . . . . . . . A . 4 DC C2' . . . . . . . . . c18199_2loa 1 . 1 . 65 . 1 1 3 DC C3' C 12.245 8.233 -16.765 . . . 1.0 . . . . . . . . . . . . A . 4 DC C3' . . . . . . . . . c18199_2loa 1 . 1 . 66 . 1 1 3 DC C4 C 12.462 7.335 -10.516 . . . 1.0 . . . . . . . . . . . . A . 4 DC C4 . . . . . . . . . c18199_2loa 1 . 1 . 67 . 1 1 3 DC C4' C 11.051 9.044 -16.269 . . . 1.0 . . . . . . . . . . . . A . 4 DC C4' . . . . . . . . . c18199_2loa 1 . 1 . 68 . 1 1 3 DC C5 C 12.851 6.405 -11.550 . . . 1.0 . . . . . . . . . . . . A . 4 DC C5 . . . . . . . . . c18199_2loa 1 . 1 . 69 . 1 1 3 DC C5' C 9.706 8.418 -16.559 . . . 1.0 . . . . . . . . . . . . A . 4 DC C5' . . . . . . . . . c18199_2loa 1 . 1 . 70 . 1 1 3 DC C6 C 12.863 6.865 -12.810 . . . 1.0 . . . . . . . . . . . . A . 4 DC C6 . . . . . . . . . c18199_2loa 1 . 1 . 71 . 1 1 3 DC H1' H 13.271 9.458 -14.576 . . . 1.0 . . . . . . . . . . . . A . 4 DC H1' . . . . . . . . . c18199_2loa 1 . 1 . 72 . 1 1 3 DC H2' H 12.294 6.657 -15.346 . . . 1.0 . . . . . . . . . . . . A . 4 DC H2' . . . . . . . . . c18199_2loa 1 . 1 . 73 . 1 1 3 DC H2'' H 13.880 7.391 -15.709 . . . 1.0 . . . . . . . . . . . . A . 4 DC H2'' . . . . . . . . . c18199_2loa 1 . 1 . 74 . 1 1 3 DC H3' H 11.937 7.503 -17.515 . . . 1.0 . . . . . . . . . . . . A . 4 DC H3' . . . . . . . . . c18199_2loa 1 . 1 . 75 . 1 1 3 DC H4' H 11.101 10.020 -16.754 . . . 1.0 . . . . . . . . . . . . A . 4 DC H4' . . . . . . . . . c18199_2loa 1 . 1 . 76 . 1 1 3 DC H41 H 12.171 7.547 -8.518 . . . 1.0 . . . . . . . . . . . . A . 4 DC H41 . . . . . . . . . c18199_2loa 1 . 1 . 77 . 1 1 3 DC H42 H 12.692 5.960 -9.040 . . . 1.0 . . . . . . . . . . . . A . 4 DC H42 . . . . . . . . . c18199_2loa 1 . 1 . 78 . 1 1 3 DC H5 H 13.117 5.390 -11.292 . . . 1.0 . . . . . . . . . . . . A . 4 DC H5 . . . . . . . . . c18199_2loa 1 . 1 . 79 . 1 1 3 DC H5' H 9.051 8.596 -15.705 . . . 1.0 . . . . . . . . . . . . A . 4 DC H5' . . . . . . . . . c18199_2loa 1 . 1 . 80 . 1 1 3 DC H5'' H 9.271 8.920 -17.424 . . . 1.0 . . . . . . . . . . . . A . 4 DC H5'' . . . . . . . . . c18199_2loa 1 . 1 . 81 . 1 1 3 DC H6 H 13.146 6.210 -13.621 . . . 1.0 . . . . . . . . . . . . A . 4 DC H6 . . . . . . . . . c18199_2loa 1 . 1 . 82 . 1 1 3 DC N1 N 12.525 8.144 -13.105 . . . 1.0 . . . . . . . . . . . . A . 4 DC N1 . . . . . . . . . c18199_2loa 1 . 1 . 83 . 1 1 3 DC N3 N 12.137 8.576 -10.820 . . . 1.0 . . . . . . . . . . . . A . 4 DC N3 . . . . . . . . . c18199_2loa 1 . 1 . 84 . 1 1 3 DC N4 N 12.440 6.914 -9.258 . . . 1.0 . . . . . . . . . . . . A . 4 DC N4 . . . . . . . . . c18199_2loa 1 . 1 . 85 . 1 1 3 DC O2 O 11.851 10.182 -12.390 . . . 1.0 . . . . . . . . . . . . A . 4 DC O2 . . . . . . . . . c18199_2loa 1 . 1 . 86 . 1 1 3 DC O3' O 13.184 9.104 -17.391 . . . 1.0 . . . . . . . . . . . . A . 4 DC O3' . . . . . . . . . c18199_2loa 1 . 1 . 87 . 1 1 3 DC O4' O 11.257 9.121 -14.870 . . . 1.0 . . . . . . . . . . . . A . 4 DC O4' . . . . . . . . . c18199_2loa 1 . 1 . 88 . 1 1 3 DC O5' O 9.858 7.021 -16.803 . . . 1.0 . . . . . . . . . . . . A . 4 DC O5' . . . . . . . . . c18199_2loa 1 . 1 . 89 . 1 1 3 DC OP1 O 7.475 6.522 -17.339 . . . 1.0 . . . . . . . . . . . . A . 4 DC OP1 . . . . . . . . . c18199_2loa 1 . 1 . 90 . 1 1 3 DC OP2 O 9.095 4.648 -16.823 . . . 1.0 . . . . . . . . . . . . A . 4 DC OP2 . . . . . . . . . c18199_2loa 1 . 1 . 91 . 1 1 3 DC P P 8.629 6.027 -16.555 . . . 1.0 . . . . . . . . . . . . A . 4 DC P . . . . . . . . . c18199_2loa 1 . 1 . 92 . 1 1 4 DG C1' C 16.554 9.239 -13.795 . . . 1.0 . . . . . . . . . . . . A . 5 DG C1' . . . . . . . . . c18199_2loa 1 . 1 . 93 . 1 1 4 DG C2 C 15.761 8.358 -9.599 . . . 1.0 . . . . . . . . . . . . A . 5 DG C2 . . . . . . . . . c18199_2loa 1 . 1 . 94 . 1 1 4 DG C2' C 17.895 9.594 -14.430 . . . 1.0 . . . . . . . . . . . . A . 5 DG C2' . . . . . . . . . c18199_2loa 1 . 1 . 95 . 1 1 4 DG C3' C 17.441 10.437 -15.590 . . . 1.0 . . . . . . . . . . . . A . 5 DG C3' . . . . . . . . . c18199_2loa 1 . 1 . 96 . 1 1 4 DG C4 C 16.309 7.850 -11.680 . . . 1.0 . . . . . . . . . . . . A . 5 DG C4 . . . . . . . . . c18199_2loa 1 . 1 . 97 . 1 1 4 DG C4' C 16.135 9.803 -16.062 . . . 1.0 . . . . . . . . . . . . A . 5 DG C4' . . . . . . . . . c18199_2loa 1 . 1 . 98 . 1 1 4 DG C5 C 16.460 6.530 -11.395 . . . 1.0 . . . . . . . . . . . . A . 5 DG C5 . . . . . . . . . c18199_2loa 1 . 1 . 99 . 1 1 4 DG C5' C 16.292 8.832 -17.210 . . . 1.0 . . . . . . . . . . . . A . 5 DG C5' . . . . . . . . . c18199_2loa 1 . 1 . 100 . 1 1 4 DG C6 C 16.230 6.122 -10.064 . . . 1.0 . . . . . . . . . . . . A . 5 DG C6 . . . . . . . . . c18199_2loa 1 . 1 . 101 . 1 1 4 DG C8 C 16.887 6.747 -13.465 . . . 1.0 . . . . . . . . . . . . A . 5 DG C8 . . . . . . . . . c18199_2loa 1 . 1 . 102 . 1 1 4 DG H1 H 15.694 6.858 -8.199 . . . 1.0 . . . . . . . . . . . . A . 5 DG H1 . . . . . . . . . c18199_2loa 1 . 1 . 103 . 1 1 4 DG H1' H 16.230 10.058 -13.152 . . . 1.0 . . . . . . . . . . . . A . 5 DG H1' . . . . . . . . . c18199_2loa 1 . 1 . 104 . 1 1 4 DG H2' H 18.423 8.724 -14.815 . . . 1.0 . . . . . . . . . . . . A . 5 DG H2' . . . . . . . . . c18199_2loa 1 . 1 . 105 . 1 1 4 DG H2'' H 18.556 10.188 -13.803 . . . 1.0 . . . . . . . . . . . . A . 5 DG H2'' . . . . . . . . . c18199_2loa 1 . 1 . 106 . 1 1 4 DG H21 H 15.260 8.806 -7.679 . . . 1.0 . . . . . . . . . . . . A . 5 DG H21 . . . . . . . . . c18199_2loa 1 . 1 . 107 . 1 1 4 DG H22 H 15.286 10.160 -8.786 . . . 1.0 . . . . . . . . . . . . A . 5 DG H22 . . . . . . . . . c18199_2loa 1 . 1 . 108 . 1 1 4 DG H3' H 18.174 10.469 -16.397 . . . 1.0 . . . . . . . . . . . . A . 5 DG H3' . . . . . . . . . c18199_2loa 1 . 1 . 109 . 1 1 4 DG H4' H 15.475 10.615 -16.370 . . . 1.0 . . . . . . . . . . . . A . 5 DG H4' . . . . . . . . . c18199_2loa 1 . 1 . 110 . 1 1 4 DG H5' H 17.348 8.782 -17.477 . . . 1.0 . . . . . . . . . . . . A . 5 DG H5' . . . . . . . . . c18199_2loa 1 . 1 . 111 . 1 1 4 DG H5'' H 15.986 7.842 -16.869 . . . 1.0 . . . . . . . . . . . . A . 5 DG H5'' . . . . . . . . . c18199_2loa 1 . 1 . 112 . 1 1 4 DG H8 H 17.146 6.574 -14.499 . . . 1.0 . . . . . . . . . . . . A . 5 DG H8 . . . . . . . . . c18199_2loa 1 . 1 . 113 . 1 1 4 DG N1 N 15.873 7.081 -9.167 . . . 1.0 . . . . . . . . . . . . A . 5 DG N1 . . . . . . . . . c18199_2loa 1 . 1 . 114 . 1 1 4 DG N2 N 15.407 9.173 -8.608 . . . 1.0 . . . . . . . . . . . . A . 5 DG N2 . . . . . . . . . c18199_2loa 1 . 1 . 115 . 1 1 4 DG N3 N 15.955 8.857 -10.834 . . . 1.0 . . . . . . . . . . . . A . 5 DG N3 . . . . . . . . . c18199_2loa 1 . 1 . 116 . 1 1 4 DG N7 N 16.825 5.825 -12.510 . . . 1.0 . . . . . . . . . . . . A . 5 DG N7 . . . . . . . . . c18199_2loa 1 . 1 . 117 . 1 1 4 DG N9 N 16.585 7.983 -13.016 . . . 1.0 . . . . . . . . . . . . A . 5 DG N9 . . . . . . . . . c18199_2loa 1 . 1 . 118 . 1 1 4 DG O3' O 17.197 11.785 -15.193 . . . 1.0 . . . . . . . . . . . . A . 5 DG O3' . . . . . . . . . c18199_2loa 1 . 1 . 119 . 1 1 4 DG O4' O 15.706 9.122 -14.915 . . . 1.0 . . . . . . . . . . . . A . 5 DG O4' . . . . . . . . . c18199_2loa 1 . 1 . 120 . 1 1 4 DG O5' O 15.504 9.256 -18.321 . . . 1.0 . . . . . . . . . . . . A . 5 DG O5' . . . . . . . . . c18199_2loa 1 . 1 . 121 . 1 1 4 DG O6 O 16.325 4.969 -9.646 . . . 1.0 . . . . . . . . . . . . A . 5 DG O6 . . . . . . . . . c18199_2loa 1 . 1 . 122 . 1 1 4 DG OP1 O 13.565 9.107 -19.881 . . . 1.0 . . . . . . . . . . . . A . 5 DG OP1 . . . . . . . . . c18199_2loa 1 . 1 . 123 . 1 1 4 DG OP2 O 14.253 7.107 -18.492 . . . 1.0 . . . . . . . . . . . . A . 5 DG OP2 . . . . . . . . . c18199_2loa 1 . 1 . 124 . 1 1 4 DG P P 14.084 8.573 -18.602 . . . 1.0 . . . . . . . . . . . . A . 5 DG P . . . . . . . . . c18199_2loa 1 . 1 . 125 . 1 1 5 DC C1' C 20.615 10.513 -10.678 . . . 1.0 . . . . . . . . . . . . A . 6 DC C1' . . . . . . . . . c18199_2loa 1 . 1 . 126 . 1 1 5 DC C2 C 21.543 8.342 -9.992 . . . 1.0 . . . . . . . . . . . . A . 6 DC C2 . . . . . . . . . c18199_2loa 1 . 1 . 127 . 1 1 5 DC C2' C 21.414 11.453 -11.576 . . . 1.0 . . . . . . . . . . . . A . 6 DC C2' . . . . . . . . . c18199_2loa 1 . 1 . 128 . 1 1 5 DC C3' C 20.605 12.714 -11.451 . . . 1.0 . . . . . . . . . . . . A . 6 DC C3' . . . . . . . . . c18199_2loa 1 . 1 . 129 . 1 1 5 DC C4 C 21.381 6.446 -11.332 . . . 1.0 . . . . . . . . . . . . A . 6 DC C4 . . . . . . . . . c18199_2loa 1 . 1 . 130 . 1 1 5 DC C4' C 19.164 12.251 -11.258 . . . 1.0 . . . . . . . . . . . . A . 6 DC C4' . . . . . . . . . c18199_2loa 1 . 1 . 131 . 1 1 5 DC C5 C 20.671 7.190 -12.347 . . . 1.0 . . . . . . . . . . . . A . 6 DC C5 . . . . . . . . . c18199_2loa 1 . 1 . 132 . 1 1 5 DC C5' C 18.282 12.431 -12.473 . . . 1.0 . . . . . . . . . . . . A . 6 DC C5' . . . . . . . . . c18199_2loa 1 . 1 . 133 . 1 1 5 DC C6 C 20.445 8.489 -12.103 . . . 1.0 . . . . . . . . . . . . A . 6 DC C6 . . . . . . . . . c18199_2loa 1 . 1 . 134 . 1 1 5 DC H1' H 20.846 10.725 -9.635 . . . 1.0 . . . . . . . . . . . . A . 6 DC H1' . . . . . . . . . c18199_2loa 1 . 1 . 135 . 1 1 5 DC H2' H 21.417 11.140 -12.618 . . . 1.0 . . . . . . . . . . . . A . 6 DC H2' . . . . . . . . . c18199_2loa 1 . 1 . 136 . 1 1 5 DC H2'' H 22.429 11.653 -11.241 . . . 1.0 . . . . . . . . . . . . A . 6 DC H2'' . . . . . . . . . c18199_2loa 1 . 1 . 137 . 1 1 5 DC H3' H 20.695 13.358 -12.328 . . . 1.0 . . . . . . . . . . . . A . 6 DC H3' . . . . . . . . . c18199_2loa 1 . 1 . 138 . 1 1 5 DC H4' H 18.748 12.825 -10.429 . . . 1.0 . . . . . . . . . . . . A . 6 DC H4' . . . . . . . . . c18199_2loa 1 . 1 . 139 . 1 1 5 DC H41 H 22.117 4.617 -10.845 . . . 1.0 . . . . . . . . . . . . A . 6 DC H41 . . . . . . . . . c18199_2loa 1 . 1 . 140 . 1 1 5 DC H42 H 21.312 4.718 -12.395 . . . 1.0 . . . . . . . . . . . . A . 6 DC H42 . . . . . . . . . c18199_2loa 1 . 1 . 141 . 1 1 5 DC H5 H 20.350 6.697 -13.252 . . . 1.0 . . . . . . . . . . . . A . 6 DC H5 . . . . . . . . . c18199_2loa 1 . 1 . 142 . 1 1 5 DC H5' H 17.545 11.627 -12.486 . . . 1.0 . . . . . . . . . . . . A . 6 DC H5' . . . . . . . . . c18199_2loa 1 . 1 . 143 . 1 1 5 DC H5'' H 17.744 13.375 -12.372 . . . 1.0 . . . . . . . . . . . . A . 6 DC H5'' . . . . . . . . . c18199_2loa 1 . 1 . 144 . 1 1 5 DC H6 H 19.918 9.091 -12.828 . . . 1.0 . . . . . . . . . . . . A . 6 DC H6 . . . . . . . . . c18199_2loa 1 . 1 . 145 . 1 1 5 DC N1 N 20.860 9.082 -10.957 . . . 1.0 . . . . . . . . . . . . A . 6 DC N1 . . . . . . . . . c18199_2loa 1 . 1 . 146 . 1 1 5 DC N3 N 21.778 7.038 -10.223 . . . 1.0 . . . . . . . . . . . . A . 6 DC N3 . . . . . . . . . c18199_2loa 1 . 1 . 147 . 1 1 5 DC N4 N 21.623 5.158 -11.541 . . . 1.0 . . . . . . . . . . . . A . 6 DC N4 . . . . . . . . . c18199_2loa 1 . 1 . 148 . 1 1 5 DC O2 O 21.908 8.912 -8.959 . . . 1.0 . . . . . . . . . . . . A . 6 DC O2 . . . . . . . . . c18199_2loa 1 . 1 . 149 . 1 1 5 DC O3' O 21.010 13.486 -10.323 . . . 1.0 . . . . . . . . . . . . A . 6 DC O3' . . . . . . . . . c18199_2loa 1 . 1 . 150 . 1 1 5 DC O4' O 19.283 10.868 -10.973 . . . 1.0 . . . . . . . . . . . . A . 6 DC O4' . . . . . . . . . c18199_2loa 1 . 1 . 151 . 1 1 5 DC O5' O 19.073 12.418 -13.660 . . . 1.0 . . . . . . . . . . . . A . 6 DC O5' . . . . . . . . . c18199_2loa 1 . 1 . 152 . 1 1 5 DC OP1 O 17.893 14.193 -14.952 . . . 1.0 . . . . . . . . . . . . A . 6 DC OP1 . . . . . . . . . c18199_2loa 1 . 1 . 153 . 1 1 5 DC OP2 O 19.410 12.544 -16.126 . . . 1.0 . . . . . . . . . . . . A . 6 DC OP2 . . . . . . . . . c18199_2loa 1 . 1 . 154 . 1 1 5 DC P P 18.416 12.813 -15.064 . . . 1.0 . . . . . . . . . . . . A . 6 DC P . . . . . . . . . c18199_2loa 1 . 1 . 155 . 1 1 6 DA C1' C 16.017 15.206 -7.786 . . . 1.0 . . . . . . . . . . . . A . 7 DA C1' . . . . . . . . . c18199_2loa 1 . 1 . 156 . 1 1 6 DA C2 C 15.468 14.555 -12.062 . . . 1.0 . . . . . . . . . . . . A . 7 DA C2 . . . . . . . . . c18199_2loa 1 . 1 . 157 . 1 1 6 DA C2' C 16.691 14.841 -6.467 . . . 1.0 . . . . . . . . . . . . A . 7 DA C2' . . . . . . . . . c18199_2loa 1 . 1 . 158 . 1 1 6 DA C3' C 17.655 15.985 -6.318 . . . 1.0 . . . . . . . . . . . . A . 7 DA C3' . . . . . . . . . c18199_2loa 1 . 1 . 159 . 1 1 6 DA C4 C 15.448 13.967 -9.931 . . . 1.0 . . . . . . . . . . . . A . 7 DA C4 . . . . . . . . . c18199_2loa 1 . 1 . 160 . 1 1 6 DA C4' C 18.185 16.250 -7.724 . . . 1.0 . . . . . . . . . . . . A . 7 DA C4' . . . . . . . . . c18199_2loa 1 . 1 . 161 . 1 1 6 DA C5 C 15.021 12.707 -10.208 . . . 1.0 . . . . . . . . . . . . A . 7 DA C5 . . . . . . . . . c18199_2loa 1 . 1 . 162 . 1 1 6 DA C5' C 19.349 15.373 -8.129 . . . 1.0 . . . . . . . . . . . . A . 7 DA C5' . . . . . . . . . c18199_2loa 1 . 1 . 163 . 1 1 6 DA C6 C 14.807 12.376 -11.563 . . . 1.0 . . . . . . . . . . . . A . 7 DA C6 . . . . . . . . . c18199_2loa 1 . 1 . 164 . 1 1 6 DA C8 C 15.225 12.817 -8.096 . . . 1.0 . . . . . . . . . . . . A . 7 DA C8 . . . . . . . . . c18199_2loa 1 . 1 . 165 . 1 1 6 DA H1' H 15.163 15.853 -7.590 . . . 1.0 . . . . . . . . . . . . A . 7 DA H1' . . . . . . . . . c18199_2loa 1 . 1 . 166 . 1 1 6 DA H2 H 15.617 15.227 -12.895 . . . 1.0 . . . . . . . . . . . . A . 7 DA H2 . . . . . . . . . c18199_2loa 1 . 1 . 167 . 1 1 6 DA H2' H 17.254 13.912 -6.523 . . . 1.0 . . . . . . . . . . . . A . 7 DA H2' . . . . . . . . . c18199_2loa 1 . 1 . 168 . 1 1 6 DA H2'' H 16.028 14.826 -5.604 . . . 1.0 . . . . . . . . . . . . A . 7 DA H2'' . . . . . . . . . c18199_2loa 1 . 1 . 169 . 1 1 6 DA H3' H 18.470 15.759 -5.629 . . . 1.0 . . . . . . . . . . . . A . 7 DA H3' . . . . . . . . . c18199_2loa 1 . 1 . 170 . 1 1 6 DA H4' H 18.498 17.294 -7.759 . . . 1.0 . . . . . . . . . . . . A . 7 DA H4' . . . . . . . . . c18199_2loa 1 . 1 . 171 . 1 1 6 DA H5' H 20.269 15.836 -7.770 . . . 1.0 . . . . . . . . . . . . A . 7 DA H5' . . . . . . . . . c18199_2loa 1 . 1 . 172 . 1 1 6 DA H5'' H 19.243 14.409 -7.630 . . . 1.0 . . . . . . . . . . . . A . 7 DA H5'' . . . . . . . . . c18199_2loa 1 . 1 . 173 . 1 1 6 DA H61 H 14.252 11.000 -12.989 . . . 1.0 . . . . . . . . . . . . A . 7 DA H61 . . . . . . . . . c18199_2loa 1 . 1 . 174 . 1 1 6 DA H62 H 14.198 10.423 -11.338 . . . 1.0 . . . . . . . . . . . . A . 7 DA H62 . . . . . . . . . c18199_2loa 1 . 1 . 175 . 1 1 6 DA H8 H 15.240 12.601 -7.038 . . . 1.0 . . . . . . . . . . . . A . 7 DA H8 . . . . . . . . . c18199_2loa 1 . 1 . 176 . 1 1 6 DA N1 N 15.045 13.344 -12.489 . . . 1.0 . . . . . . . . . . . . A . 7 DA N1 . . . . . . . . . c18199_2loa 1 . 1 . 177 . 1 1 6 DA N3 N 15.704 14.978 -10.806 . . . 1.0 . . . . . . . . . . . . A . 7 DA N3 . . . . . . . . . c18199_2loa 1 . 1 . 178 . 1 1 6 DA N6 N 14.383 11.163 -12.000 . . . 1.0 . . . . . . . . . . . . A . 7 DA N6 . . . . . . . . . c18199_2loa 1 . 1 . 179 . 1 1 6 DA N7 N 14.877 11.973 -9.061 . . . 1.0 . . . . . . . . . . . . A . 7 DA N7 . . . . . . . . . c18199_2loa 1 . 1 . 180 . 1 1 6 DA N9 N 15.578 14.031 -8.568 . . . 1.0 . . . . . . . . . . . . A . 7 DA N9 . . . . . . . . . c18199_2loa 1 . 1 . 181 . 1 1 6 DA O3' O 17.006 17.156 -5.827 . . . 1.0 . . . . . . . . . . . . A . 7 DA O3' . . . . . . . . . c18199_2loa 1 . 1 . 182 . 1 1 6 DA O4' O 17.032 15.916 -8.460 . . . 1.0 . . . . . . . . . . . . A . 7 DA O4' . . . . . . . . . c18199_2loa 1 . 1 . 183 . 1 1 6 DA O5' O 19.374 15.216 -9.546 . . . 1.0 . . . . . . . . . . . . A . 7 DA O5' . . . . . . . . . c18199_2loa 1 . 1 . 184 . 1 1 6 DA OP1 O 20.592 15.557 -11.694 . . . 1.0 . . . . . . . . . . . . A . 7 DA OP1 . . . . . . . . . c18199_2loa 1 . 1 . 185 . 1 1 6 DA OP2 O 21.814 15.721 -9.485 . . . 1.0 . . . . . . . . . . . . A . 7 DA OP2 . . . . . . . . . c18199_2loa 1 . 1 . 186 . 1 1 6 DA P P 20.773 15.068 -10.309 . . . 1.0 . . . . . . . . . . . . A . 7 DA P . . . . . . . . . c18199_2loa 1 . 1 . 187 . 1 1 7 DG C1' C 12.046 14.453 -5.460 . . . 1.0 . . . . . . . . . . . . A . 8 DG C1' . . . . . . . . . c18199_2loa 1 . 1 . 188 . 1 1 7 DG C2 C 11.753 11.554 -8.704 . . . 1.0 . . . . . . . . . . . . A . 8 DG C2 . . . . . . . . . c18199_2loa 1 . 1 . 189 . 1 1 7 DG C2' C 11.556 14.921 -4.093 . . . 1.0 . . . . . . . . . . . . A . 8 DG C2' . . . . . . . . . c18199_2loa 1 . 1 . 190 . 1 1 7 DG C3' C 12.234 16.259 -3.995 . . . 1.0 . . . . . . . . . . . . A . 8 DG C3' . . . . . . . . . c18199_2loa 1 . 1 . 191 . 1 1 7 DG C4 C 12.173 12.201 -6.631 . . . 1.0 . . . . . . . . . . . . A . 8 DG C4 . . . . . . . . . c18199_2loa 1 . 1 . 192 . 1 1 7 DG C4' C 12.863 16.493 -5.366 . . . 1.0 . . . . . . . . . . . . A . 8 DG C4' . . . . . . . . . c18199_2loa 1 . 1 . 193 . 1 1 7 DG C5 C 12.520 10.949 -6.234 . . . 1.0 . . . . . . . . . . . . A . 8 DG C5 . . . . . . . . . c18199_2loa 1 . 1 . 194 . 1 1 7 DG C5' C 14.148 17.289 -5.335 . . . 1.0 . . . . . . . . . . . . A . 8 DG C5' . . . . . . . . . c18199_2loa 1 . 1 . 195 . 1 1 7 DG C6 C 12.465 9.921 -7.199 . . . 1.0 . . . . . . . . . . . . A . 8 DG C6 . . . . . . . . . c18199_2loa 1 . 1 . 196 . 1 1 7 DG C8 C 12.728 12.197 -4.527 . . . 1.0 . . . . . . . . . . . . A . 8 DG C8 . . . . . . . . . c18199_2loa 1 . 1 . 197 . 1 1 7 DG H1 H 12.006 9.577 -9.194 . . . 1.0 . . . . . . . . . . . . A . 8 DG H1 . . . . . . . . . c18199_2loa 1 . 1 . 198 . 1 1 7 DG H1' H 11.313 14.725 -6.220 . . . 1.0 . . . . . . . . . . . . A . 8 DG H1' . . . . . . . . . c18199_2loa 1 . 1 . 199 . 1 1 7 DG H2' H 11.907 14.289 -3.280 . . . 1.0 . . . . . . . . . . . . A . 8 DG H2' . . . . . . . . . c18199_2loa 1 . 1 . 200 . 1 1 7 DG H2'' H 10.480 15.066 -4.018 . . . 1.0 . . . . . . . . . . . . A . 8 DG H2'' . . . . . . . . . c18199_2loa 1 . 1 . 201 . 1 1 7 DG H21 H 11.371 10.940 -10.604 . . . 1.0 . . . . . . . . . . . . A . 8 DG H21 . . . . . . . . . c18199_2loa 1 . 1 . 202 . 1 1 7 DG H22 H 11.121 12.644 -10.300 . . . 1.0 . . . . . . . . . . . . A . 8 DG H22 . . . . . . . . . c18199_2loa 1 . 1 . 203 . 1 1 7 DG H3' H 12.989 16.290 -3.208 . . . 1.0 . . . . . . . . . . . . A . 8 DG H3' . . . . . . . . . c18199_2loa 1 . 1 . 204 . 1 1 7 DG H4' H 12.128 17.027 -5.971 . . . 1.0 . . . . . . . . . . . . A . 8 DG H4' . . . . . . . . . c18199_2loa 1 . 1 . 205 . 1 1 7 DG H5' H 14.604 17.245 -6.325 . . . 1.0 . . . . . . . . . . . . A . 8 DG H5' . . . . . . . . . c18199_2loa 1 . 1 . 206 . 1 1 7 DG H5'' H 13.903 18.331 -5.126 . . . 1.0 . . . . . . . . . . . . A . 8 DG H5'' . . . . . . . . . c18199_2loa 1 . 1 . 207 . 1 1 7 DG H8 H 12.914 12.585 -3.536 . . . 1.0 . . . . . . . . . . . . A . 8 DG H8 . . . . . . . . . c18199_2loa 1 . 1 . 208 . 1 1 7 DG N1 N 12.068 10.263 -8.455 . . . 1.0 . . . . . . . . . . . . A . 8 DG N1 . . . . . . . . . c18199_2loa 1 . 1 . 209 . 1 1 7 DG N2 N 11.386 11.727 -9.971 . . . 1.0 . . . . . . . . . . . . A . 8 DG N2 . . . . . . . . . c18199_2loa 1 . 1 . 210 . 1 1 7 DG N3 N 11.769 12.608 -7.867 . . . 1.0 . . . . . . . . . . . . A . 8 DG N3 . . . . . . . . . c18199_2loa 1 . 1 . 211 . 1 1 7 DG N7 N 12.872 10.933 -4.911 . . . 1.0 . . . . . . . . . . . . A . 8 DG N7 . . . . . . . . . c18199_2loa 1 . 1 . 212 . 1 1 7 DG N9 N 12.309 13.000 -5.527 . . . 1.0 . . . . . . . . . . . . A . 8 DG N9 . . . . . . . . . c18199_2loa 1 . 1 . 213 . 1 1 7 DG O3' O 11.299 17.300 -3.718 . . . 1.0 . . . . . . . . . . . . A . 8 DG O3' . . . . . . . . . c18199_2loa 1 . 1 . 214 . 1 1 7 DG O4' O 13.233 15.195 -5.629 . . . 1.0 . . . . . . . . . . . . A . 8 DG O4' . . . . . . . . . c18199_2loa 1 . 1 . 215 . 1 1 7 DG O5' O 15.027 16.762 -4.344 . . . 1.0 . . . . . . . . . . . . A . 8 DG O5' . . . . . . . . . c18199_2loa 1 . 1 . 216 . 1 1 7 DG O6 O 12.746 8.741 -7.000 . . . 1.0 . . . . . . . . . . . . A . 8 DG O6 . . . . . . . . . c18199_2loa 1 . 1 . 217 . 1 1 7 DG OP1 O 16.580 18.646 -3.842 . . . 1.0 . . . . . . . . . . . . A . 8 DG OP1 . . . . . . . . . c18199_2loa 1 . 1 . 218 . 1 1 7 DG OP2 O 17.315 16.250 -3.497 . . . 1.0 . . . . . . . . . . . . A . 8 DG OP2 . . . . . . . . . c18199_2loa 1 . 1 . 219 . 1 1 7 DG P P 16.554 17.238 -4.295 . . . 1.0 . . . . . . . . . . . . A . 8 DG P . . . . . . . . . c18199_2loa 1 . 1 . 220 . 1 1 8 DT C1' C 9.506 14.882 -0.410 . . . 1.0 . . . . . . . . . . . . A . 9 DT C1' . . . . . . . . . c18199_2loa 1 . 1 . 221 . 1 1 8 DT C2 C 10.995 15.214 1.459 . . . 1.0 . . . . . . . . . . . . A . 9 DT C2 . . . . . . . . . c18199_2loa 1 . 1 . 222 . 1 1 8 DT C2' C 8.187 15.495 0.049 . . . 1.0 . . . . . . . . . . . . A . 9 DT C2' . . . . . . . . . c18199_2loa 1 . 1 . 223 . 1 1 8 DT C3' C 7.773 16.233 -1.195 . . . 1.0 . . . . . . . . . . . . A . 9 DT C3' . . . . . . . . . c18199_2loa 1 . 1 . 224 . 1 1 8 DT C4 C 12.889 16.718 1.320 . . . 1.0 . . . . . . . . . . . . A . 9 DT C4 . . . . . . . . . c18199_2loa 1 . 1 . 225 . 1 1 8 DT C4' C 8.227 15.352 -2.355 . . . 1.0 . . . . . . . . . . . . A . 9 DT C4' . . . . . . . . . c18199_2loa 1 . 1 . 226 . 1 1 8 DT C5 C 12.532 17.022 -0.020 . . . 1.0 . . . . . . . . . . . . A . 9 DT C5 . . . . . . . . . c18199_2loa 1 . 1 . 227 . 1 1 8 DT C5' C 8.125 16.008 -3.714 . . . 1.0 . . . . . . . . . . . . A . 9 DT C5' . . . . . . . . . c18199_2loa 1 . 1 . 228 . 1 1 8 DT C6 C 11.455 16.419 -0.527 . . . 1.0 . . . . . . . . . . . . A . 9 DT C6 . . . . . . . . . c18199_2loa 1 . 1 . 229 . 1 1 8 DT C7 C 13.361 17.999 -0.819 . . . 1.0 . . . . . . . . . . . . A . 9 DT C7 . . . . . . . . . c18199_2loa 1 . 1 . 230 . 1 1 8 DT H1' H 9.518 13.821 -0.161 . . . 1.0 . . . . . . . . . . . . A . 9 DT H1' . . . . . . . . . c18199_2loa 1 . 1 . 231 . 1 1 8 DT H2' H 8.313 16.213 0.857 . . . 1.0 . . . . . . . . . . . . A . 9 DT H2' . . . . . . . . . c18199_2loa 1 . 1 . 232 . 1 1 8 DT H2'' H 7.411 14.775 0.303 . . . 1.0 . . . . . . . . . . . . A . 9 DT H2'' . . . . . . . . . c18199_2loa 1 . 1 . 233 . 1 1 8 DT H3' H 8.219 17.227 -1.260 . . . 1.0 . . . . . . . . . . . . A . 9 DT H3' . . . . . . . . . c18199_2loa 1 . 1 . 234 . 1 1 8 DT H4' H 7.604 14.457 -2.344 . . . 1.0 . . . . . . . . . . . . A . 9 DT H4' . . . . . . . . . c18199_2loa 1 . 1 . 235 . 1 1 8 DT H5' H 8.564 15.337 -4.454 . . . 1.0 . . . . . . . . . . . . A . 9 DT H5' . . . . . . . . . c18199_2loa 1 . 1 . 236 . 1 1 8 DT H5'' H 7.069 16.130 -3.959 . . . 1.0 . . . . . . . . . . . . A . 9 DT H5'' . . . . . . . . . c18199_2loa 1 . 1 . 237 . 1 1 8 DT H6 H 11.149 16.623 -1.543 . . . 1.0 . . . . . . . . . . . . A . 9 DT H6 . . . . . . . . . c18199_2loa 1 . 1 . 238 . 1 1 8 DT H71 H 13.159 19.016 -0.484 . . . 1.0 . . . . . . . . . . . . A . 9 DT H71 . . . . . . . . . c18199_2loa 1 . 1 . 239 . 1 1 8 DT H72 H 13.112 17.915 -1.877 . . . 1.0 . . . . . . . . . . . . A . 9 DT H72 . . . . . . . . . c18199_2loa 1 . 1 . 240 . 1 1 8 DT H73 H 14.421 17.781 -0.684 . . . 1.0 . . . . . . . . . . . . A . 9 DT H73 . . . . . . . . . c18199_2loa 1 . 1 . 241 . 1 1 8 DT N1 N 10.695 15.539 0.172 . . . 1.0 . . . . . . . . . . . . A . 9 DT N1 . . . . . . . . . c18199_2loa 1 . 1 . 242 . 1 1 8 DT N3 N 12.102 15.825 2.003 . . . 1.0 . . . . . . . . . . . . A . 9 DT N3 . . . . . . . . . c18199_2loa 1 . 1 . 243 . 1 1 8 DT O2 O 10.342 14.429 2.128 . . . 1.0 . . . . . . . . . . . . A . 9 DT O2 . . . . . . . . . c18199_2loa 1 . 1 . 244 . 1 1 8 DT O3' O 6.359 16.405 -1.255 . . . 1.0 . . . . . . . . . . . . A . 9 DT O3' . . . . . . . . . c18199_2loa 1 . 1 . 245 . 1 1 8 DT O4 O 13.857 16.939 1.840 . . . 1.0 . . . . . . . . . . . . A . 9 DT O4 . . . . . . . . . c18199_2loa 1 . 1 . 246 . 1 1 8 DT O4' O 9.457 15.062 -1.808 . . . 1.0 . . . . . . . . . . . . A . 9 DT O4' . . . . . . . . . c18199_2loa 1 . 1 . 247 . 1 1 8 DT O5' O 8.795 17.266 -3.703 . . . 1.0 . . . . . . . . . . . . A . 9 DT O5' . . . . . . . . . c18199_2loa 1 . 1 . 248 . 1 1 8 DT OP1 O 10.019 16.472 -5.724 . . . 1.0 . . . . . . . . . . . . A . 9 DT OP1 . . . . . . . . . c18199_2loa 1 . 1 . 249 . 1 1 8 DT OP2 O 9.990 18.930 -5.124 . . . 1.0 . . . . . . . . . . . . A . 9 DT OP2 . . . . . . . . . c18199_2loa 1 . 1 . 250 . 1 1 8 DT P P 10.038 17.519 -4.678 . . . 1.0 . . . . . . . . . . . . A . 9 DT P . . . . . . . . . c18199_2loa 1 . 1 . 251 . 1 1 9 DG C1' C 4.889 14.429 -6.067 . . . 1.0 . . . . . . . . . . . . A . 10 DG C1' . . . . . . . . . c18199_2loa 1 . 1 . 252 . 1 1 9 DG C2 C 6.266 11.052 -8.457 . . . 1.0 . . . . . . . . . . . . A . 10 DG C2 . . . . . . . . . c18199_2loa 1 . 1 . 253 . 1 1 9 DG C2' C 3.805 14.469 -4.993 . . . 1.0 . . . . . . . . . . . . A . 10 DG C2' . . . . . . . . . c18199_2loa 1 . 1 . 254 . 1 1 9 DG C3' C 3.273 15.861 -5.185 . . . 1.0 . . . . . . . . . . . . A . 10 DG C3' . . . . . . . . . c18199_2loa 1 . 1 . 255 . 1 1 9 DG C4 C 6.249 12.372 -6.683 . . . 1.0 . . . . . . . . . . . . A . 10 DG C4 . . . . . . . . . c18199_2loa 1 . 1 . 256 . 1 1 9 DG C4' C 4.471 16.693 -5.635 . . . 1.0 . . . . . . . . . . . . A . 10 DG C4' . . . . . . . . . c18199_2loa 1 . 1 . 257 . 1 1 9 DG C5 C 7.231 11.668 -6.061 . . . 1.0 . . . . . . . . . . . . A . 10 DG C5 . . . . . . . . . c18199_2loa 1 . 1 . 258 . 1 1 9 DG C5' C 5.026 17.614 -4.572 . . . 1.0 . . . . . . . . . . . . A . 10 DG C5' . . . . . . . . . c18199_2loa 1 . 1 . 259 . 1 1 9 DG C6 C 7.759 10.549 -6.738 . . . 1.0 . . . . . . . . . . . . A . 10 DG C6 . . . . . . . . . c18199_2loa 1 . 1 . 260 . 1 1 9 DG C8 C 6.705 13.252 -4.746 . . . 1.0 . . . . . . . . . . . . A . 10 DG C8 . . . . . . . . . c18199_2loa 1 . 1 . 261 . 1 1 9 DG H1 H 7.575 9.472 -8.503 . . . 1.0 . . . . . . . . . . . . A . 10 DG H1 . . . . . . . . . c18199_2loa 1 . 1 . 262 . 1 1 9 DG H1' H 4.428 14.269 -7.041 . . . 1.0 . . . . . . . . . . . . A . 10 DG H1' . . . . . . . . . c18199_2loa 1 . 1 . 263 . 1 1 9 DG H2' H 4.206 14.382 -3.985 . . . 1.0 . . . . . . . . . . . . A . 10 DG H2' . . . . . . . . . c18199_2loa 1 . 1 . 264 . 1 1 9 DG H2'' H 2.993 13.760 -5.137 . . . 1.0 . . . . . . . . . . . . A . 10 DG H2'' . . . . . . . . . c18199_2loa 1 . 1 . 265 . 1 1 9 DG H21 H 6.295 9.827 -10.081 . . . 1.0 . . . . . . . . . . . . A . 10 DG H21 . . . . . . . . . c18199_2loa 1 . 1 . 266 . 1 1 9 DG H22 H 5.141 11.140 -10.149 . . . 1.0 . . . . . . . . . . . . A . 10 DG H22 . . . . . . . . . c18199_2loa 1 . 1 . 267 . 1 1 9 DG H3' H 2.832 16.271 -4.275 . . . 1.0 . . . . . . . . . . . . A . 10 DG H3' . . . . . . . . . c18199_2loa 1 . 1 . 268 . 1 1 9 DG H4' H 4.147 17.289 -6.489 . . . 1.0 . . . . . . . . . . . . A . 10 DG H4' . . . . . . . . . c18199_2loa 1 . 1 . 269 . 1 1 9 DG H5' H 6.034 17.910 -4.865 . . . 1.0 . . . . . . . . . . . . A . 10 DG H5' . . . . . . . . . c18199_2loa 1 . 1 . 270 . 1 1 9 DG H5'' H 4.410 18.514 -4.540 . . . 1.0 . . . . . . . . . . . . A . 10 DG H5'' . . . . . . . . . c18199_2loa 1 . 1 . 271 . 1 1 9 DG H8 H 6.642 13.938 -3.913 . . . 1.0 . . . . . . . . . . . . A . 10 DG H8 . . . . . . . . . c18199_2loa 1 . 1 . 272 . 1 1 9 DG N1 N 7.243 10.259 -7.964 . . . 1.0 . . . . . . . . . . . . A . 10 DG N1 . . . . . . . . . c18199_2loa 1 . 1 . 273 . 1 1 9 DG N2 N 5.869 10.640 -9.659 . . . 1.0 . . . . . . . . . . . . A . 10 DG N2 . . . . . . . . . c18199_2loa 1 . 1 . 274 . 1 1 9 DG N3 N 5.692 12.136 -7.903 . . . 1.0 . . . . . . . . . . . . A . 10 DG N3 . . . . . . . . . c18199_2loa 1 . 1 . 275 . 1 1 9 DG N7 N 7.528 12.213 -4.840 . . . 1.0 . . . . . . . . . . . . A . 10 DG N7 . . . . . . . . . c18199_2loa 1 . 1 . 276 . 1 1 9 DG N9 N 5.915 13.391 -5.830 . . . 1.0 . . . . . . . . . . . . A . 10 DG N9 . . . . . . . . . c18199_2loa 1 . 1 . 277 . 1 1 9 DG O3' O 2.263 15.902 -6.192 . . . 1.0 . . . . . . . . . . . . A . 10 DG O3' . . . . . . . . . c18199_2loa 1 . 1 . 278 . 1 1 9 DG O4' O 5.445 15.722 -5.987 . . . 1.0 . . . . . . . . . . . . A . 10 DG O4' . . . . . . . . . c18199_2loa 1 . 1 . 279 . 1 1 9 DG O5' O 5.033 16.955 -3.307 . . . 1.0 . . . . . . . . . . . . A . 10 DG O5' . . . . . . . . . c18199_2loa 1 . 1 . 280 . 1 1 9 DG O6 O 8.647 9.812 -6.313 . . . 1.0 . . . . . . . . . . . . A . 10 DG O6 . . . . . . . . . c18199_2loa 1 . 1 . 281 . 1 1 9 DG OP1 O 6.827 18.513 -2.553 . . . 1.0 . . . . . . . . . . . . A . 10 DG OP1 . . . . . . . . . c18199_2loa 1 . 1 . 282 . 1 1 9 DG OP2 O 4.683 18.286 -1.229 . . . 1.0 . . . . . . . . . . . . A . 10 DG OP2 . . . . . . . . . c18199_2loa 1 . 1 . 283 . 1 1 9 DG P P 5.737 17.648 -2.049 . . . 1.0 . . . . . . . . . . . . A . 10 DG P . . . . . . . . . c18199_2loa 1 . 1 . 284 . 1 1 10 DC C1' C 0.906 11.440 -7.868 . . . 1.0 . . . . . . . . . . . . A . 11 DC C1' . . . . . . . . . c18199_2loa 1 . 1 . 285 . 1 1 10 DC C2 C 2.514 9.858 -6.891 . . . 1.0 . . . . . . . . . . . . A . 11 DC C2 . . . . . . . . . c18199_2loa 1 . 1 . 286 . 1 1 10 DC C2' C -0.551 11.776 -7.564 . . . 1.0 . . . . . . . . . . . . A . 11 DC C2' . . . . . . . . . c18199_2loa 1 . 1 . 287 . 1 1 10 DC C3' C -0.850 12.750 -8.669 . . . 1.0 . . . . . . . . . . . . A . 11 DC C3' . . . . . . . . . c18199_2loa 1 . 1 . 288 . 1 1 10 DC C4 C 3.085 9.905 -4.635 . . . 1.0 . . . . . . . . . . . . A . 11 DC C4 . . . . . . . . . c18199_2loa 1 . 1 . 289 . 1 1 10 DC C4' C 0.447 13.523 -8.887 . . . 1.0 . . . . . . . . . . . . A . 11 DC C4' . . . . . . . . . c18199_2loa 1 . 1 . 290 . 1 1 10 DC C5 C 2.199 11.023 -4.406 . . . 1.0 . . . . . . . . . . . . A . 11 DC C5 . . . . . . . . . c18199_2loa 1 . 1 . 291 . 1 1 10 DC C5' C 0.483 14.882 -8.225 . . . 1.0 . . . . . . . . . . . . A . 11 DC C5' . . . . . . . . . c18199_2loa 1 . 1 . 292 . 1 1 10 DC C6 C 1.518 11.487 -5.464 . . . 1.0 . . . . . . . . . . . . A . 11 DC C6 . . . . . . . . . c18199_2loa 1 . 1 . 293 . 1 1 10 DC H1' H 0.948 10.703 -8.670 . . . 1.0 . . . . . . . . . . . . A . 11 DC H1' . . . . . . . . . c18199_2loa 1 . 1 . 294 . 1 1 10 DC H2' H -0.677 12.280 -6.608 . . . 1.0 . . . . . . . . . . . . A . 11 DC H2' . . . . . . . . . c18199_2loa 1 . 1 . 295 . 1 1 10 DC H2'' H -1.239 10.937 -7.640 . . . 1.0 . . . . . . . . . . . . A . 11 DC H2'' . . . . . . . . . c18199_2loa 1 . 1 . 296 . 1 1 10 DC H3' H -1.671 13.425 -8.422 . . . 1.0 . . . . . . . . . . . . A . 11 DC H3' . . . . . . . . . c18199_2loa 1 . 1 . 297 . 1 1 10 DC H4' H 0.571 13.649 -9.964 . . . 1.0 . . . . . . . . . . . . A . 11 DC H4' . . . . . . . . . c18199_2loa 1 . 1 . 298 . 1 1 10 DC H41 H 4.400 8.640 -3.746 . . . 1.0 . . . . . . . . . . . . A . 11 DC H41 . . . . . . . . . c18199_2loa 1 . 1 . 299 . 1 1 10 DC H42 H 3.673 9.833 -2.693 . . . 1.0 . . . . . . . . . . . . A . 11 DC H42 . . . . . . . . . c18199_2loa 1 . 1 . 300 . 1 1 10 DC H5 H 2.107 11.446 -3.417 . . . 1.0 . . . . . . . . . . . . A . 11 DC H5 . . . . . . . . . c18199_2loa 1 . 1 . 301 . 1 1 10 DC H5' H 1.487 15.294 -8.338 . . . 1.0 . . . . . . . . . . . . A . 11 DC H5' . . . . . . . . . c18199_2loa 1 . 1 . 302 . 1 1 10 DC H5'' H -0.209 15.540 -8.752 . . . 1.0 . . . . . . . . . . . . A . 11 DC H5'' . . . . . . . . . c18199_2loa 1 . 1 . 303 . 1 1 10 DC H6 H 0.842 12.321 -5.348 . . . 1.0 . . . . . . . . . . . . A . 11 DC H6 . . . . . . . . . c18199_2loa 1 . 1 . 304 . 1 1 10 DC HO3' H -0.418 11.462 -10.182 . . . 1.0 . . . . . . . . . . . . A . 11 DC HO3' . . . . . . . . . c18199_2loa 1 . 1 . 305 . 1 1 10 DC N1 N 1.652 10.936 -6.695 . . . 1.0 . . . . . . . . . . . . A . 11 DC N1 . . . . . . . . . c18199_2loa 1 . 1 . 306 . 1 1 10 DC N3 N 3.204 9.381 -5.839 . . . 1.0 . . . . . . . . . . . . A . 11 DC N3 . . . . . . . . . c18199_2loa 1 . 1 . 307 . 1 1 10 DC N4 N 3.774 9.421 -3.610 . . . 1.0 . . . . . . . . . . . . A . 11 DC N4 . . . . . . . . . c18199_2loa 1 . 1 . 308 . 1 1 10 DC O2 O 2.614 9.378 -8.025 . . . 1.0 . . . . . . . . . . . . A . 11 DC O2 . . . . . . . . . c18199_2loa 1 . 1 . 309 . 1 1 10 DC O3' O -1.210 12.079 -9.875 . . . 1.0 . . . . . . . . . . . . A . 11 DC O3' . . . . . . . . . c18199_2loa 1 . 1 . 310 . 1 1 10 DC O4' O 1.420 12.678 -8.305 . . . 1.0 . . . . . . . . . . . . A . 11 DC O4' . . . . . . . . . c18199_2loa 1 . 1 . 311 . 1 1 10 DC O5' O 0.130 14.766 -6.848 . . . 1.0 . . . . . . . . . . . . A . 11 DC O5' . . . . . . . . . c18199_2loa 1 . 1 . 312 . 1 1 10 DC OP1 O 0.061 17.109 -6.000 . . . 1.0 . . . . . . . . . . . . A . 11 DC OP1 . . . . . . . . . c18199_2loa 1 . 1 . 313 . 1 1 10 DC OP2 O 0.599 15.194 -4.438 . . . 1.0 . . . . . . . . . . . . A . 11 DC OP2 . . . . . . . . . c18199_2loa 1 . 1 . 314 . 1 1 10 DC P P 0.720 15.802 -5.781 . . . 1.0 . . . . . . . . . . . . A . 11 DC P . . . . . . . . . c18199_2loa 1 . 1 . 315 . 2 2 1 C4Q C1' C 13.936 11.745 4.528 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q C1' . . . . . . . . . c18199_2loa 1 . 1 . 316 . 2 2 1 C4Q C10 C 11.599 11.208 0.307 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q C10 . . . . . . . . . c18199_2loa 1 . 1 . 317 . 2 2 1 C4Q C2 C 12.555 13.411 -1.075 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q C2 . . . . . . . . . c18199_2loa 1 . 1 . 318 . 2 2 1 C4Q C2' C 12.943 10.689 5.086 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q C2' . . . . . . . . . c18199_2loa 1 . 1 . 319 . 2 2 1 C4Q C3 C 13.096 13.158 0.172 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q C3 . . . . . . . . . c18199_2loa 1 . 1 . 320 . 2 2 1 C4Q C3' C 11.666 12.181 6.655 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q C3' . . . . . . . . . c18199_2loa 1 . 1 . 321 . 2 2 1 C4Q C4 C 12.629 12.033 0.894 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q C4 . . . . . . . . . c18199_2loa 1 . 1 . 322 . 2 2 1 C4Q C4' C 10.729 13.388 6.435 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q C4' . . . . . . . . . c18199_2loa 1 . 1 . 323 . 2 2 1 C4Q C5 C 11.062 10.055 0.932 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q C5 . . . . . . . . . c18199_2loa 1 . 1 . 324 . 2 2 1 C4Q C5' C 12.260 15.322 6.591 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q C5' . . . . . . . . . c18199_2loa 1 . 1 . 325 . 2 2 1 C4Q C6 C 10.072 9.279 0.301 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q C6 . . . . . . . . . c18199_2loa 1 . 1 . 326 . 2 2 1 C4Q C6' C 13.722 15.035 6.238 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q C6' . . . . . . . . . c18199_2loa 1 . 1 . 327 . 2 2 1 C4Q C7 C 9.587 9.621 -0.972 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q C7 . . . . . . . . . c18199_2loa 1 . 1 . 328 . 2 2 1 C4Q C7' C 15.085 14.446 4.257 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q C7' . . . . . . . . . c18199_2loa 1 . 1 . 329 . 2 2 1 C4Q C8 C 10.074 10.757 -1.635 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q C8 . . . . . . . . . c18199_2loa 1 . 1 . 330 . 2 2 1 C4Q C8' C 14.673 13.528 3.086 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q C8' . . . . . . . . . c18199_2loa 1 . 1 . 331 . 2 2 1 C4Q C9 C 11.074 11.538 -0.977 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q C9 . . . . . . . . . c18199_2loa 1 . 1 . 332 . 2 2 1 C4Q CM C 13.367 11.648 2.189 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q CM . . . . . . . . . c18199_2loa 1 . 1 . 333 . 2 2 1 C4Q H1' H 14.189 12.371 5.373 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q H1' . . . . . . . . . c18199_2loa 1 . 1 . 334 . 2 2 1 C4Q H1'A H 14.850 11.215 4.254 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q H1'A . . . . . . . . . c18199_2loa 1 . 1 . 335 . 2 2 1 C4Q H2 H 12.928 14.267 -1.612 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q H2 . . . . . . . . . c18199_2loa 1 . 1 . 336 . 2 2 1 C4Q H2' H 13.405 10.203 5.946 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q H2' . . . . . . . . . c18199_2loa 1 . 1 . 337 . 2 2 1 C4Q H2'A H 12.764 9.912 4.346 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q H2'A . . . . . . . . . c18199_2loa 1 . 1 . 338 . 2 2 1 C4Q H3 H 13.860 13.888 0.437 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q H3 . . . . . . . . . c18199_2loa 1 . 1 . 339 . 2 2 1 C4Q H3' H 12.672 12.522 6.870 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q H3' . . . . . . . . . c18199_2loa 1 . 1 . 340 . 2 2 1 C4Q H3'A H 11.320 11.630 7.530 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q H3'A . . . . . . . . . c18199_2loa 1 . 1 . 341 . 2 2 1 C4Q H4' H 10.369 13.721 7.408 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q H4' . . . . . . . . . c18199_2loa 1 . 1 . 342 . 2 2 1 C4Q H4'A H 9.861 13.040 5.874 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q H4'A . . . . . . . . . c18199_2loa 1 . 1 . 343 . 2 2 1 C4Q H5 H 11.367 9.717 1.906 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q H5 . . . . . . . . . c18199_2loa 1 . 1 . 344 . 2 2 1 C4Q H5' H 12.080 15.118 7.648 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q H5' . . . . . . . . . c18199_2loa 1 . 1 . 345 . 2 2 1 C4Q H5'A H 12.092 16.386 6.423 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q H5'A . . . . . . . . . c18199_2loa 1 . 1 . 346 . 2 2 1 C4Q H6 H 9.682 8.402 0.797 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q H6 . . . . . . . . . c18199_2loa 1 . 1 . 347 . 2 2 1 C4Q H6' H 13.975 14.029 6.558 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q H6' . . . . . . . . . c18199_2loa 1 . 1 . 348 . 2 2 1 C4Q H6'A H 14.375 15.730 6.766 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q H6'A . . . . . . . . . c18199_2loa 1 . 1 . 349 . 2 2 1 C4Q H7 H 8.837 9.007 -1.449 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q H7 . . . . . . . . . c18199_2loa 1 . 1 . 350 . 2 2 1 C4Q H7' H 15.570 13.865 5.041 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q H7' . . . . . . . . . c18199_2loa 1 . 1 . 351 . 2 2 1 C4Q H7'A H 15.816 15.168 3.890 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q H7'A . . . . . . . . . c18199_2loa 1 . 1 . 352 . 2 2 1 C4Q H8 H 9.637 10.932 -2.645 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q H8 . . . . . . . . . c18199_2loa 1 . 1 . 353 . 2 2 1 C4Q H8' H 15.547 12.951 2.780 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q H8' . . . . . . . . . c18199_2loa 1 . 1 . 354 . 2 2 1 C4Q H8'A H 14.408 14.202 2.283 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q H8'A . . . . . . . . . c18199_2loa 1 . 1 . 355 . 2 2 1 C4Q HM H 14.364 11.316 1.894 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q HM . . . . . . . . . c18199_2loa 1 . 1 . 356 . 2 2 1 C4Q HMA H 12.888 10.758 2.557 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q HMA . . . . . . . . . c18199_2loa 1 . 1 . 357 . 2 2 1 C4Q HN2' H 10.969 10.510 5.669 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q HN2' . . . . . . . . . c18199_2loa 1 . 1 . 358 . 2 2 1 C4Q HN3' H 10.498 15.183 5.646 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q HN3' . . . . . . . . . c18199_2loa 1 . 1 . 359 . 2 2 1 C4Q HN4' H 14.086 16.172 4.617 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q HN4' . . . . . . . . . c18199_2loa 1 . 1 . 360 . 2 2 1 C4Q N1' N 13.507 12.610 3.357 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q N1' . . . . . . . . . c18199_2loa 1 . 1 . 361 . 2 2 1 C4Q N2' N 11.642 11.248 5.507 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q N2' . . . . . . . . . c18199_2loa 1 . 1 . 362 . 2 2 1 C4Q N3' N 11.307 14.574 5.719 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q N3' . . . . . . . . . c18199_2loa 1 . 1 . 363 . 2 2 1 C4Q N4' N 13.910 15.185 4.778 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q N4' . . . . . . . . . c18199_2loa 1 . 1 . 364 . 2 2 1 C4Q N5 N 11.571 12.637 -1.548 . . . 1.0 . . . . . . . . . . . . A . 101 C4Q N5 . . . . . . . . . c18199_2loa 1 . 1 . 365 . 3 3 1 ZN ZN Zn 11.882 14.859 3.127 . . . 1.0 . . . . . . . . . . . . A . 102 ZN ZN . . . . . . . . . c18199_2loa 1 stop_ save_ ########################### # Constraint Statistics # ########################### save_constraint_statistics _Constraint_stat_list.Sf_framecode constraint_statistics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID c18199_2loa _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 2loa.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c18199_2loa 1 1 2loa.mr . . DYANA/DIANA 2 'dihedral angle' 'Not applicable' 'Not applicable' 30 c18199_2loa 1 1 2loa.mr . . DYANA/DIANA 3 distance NOE simple 6 c18199_2loa 1 1 2loa.mr . . DYANA/DIANA 4 distance NOE simple 11 c18199_2loa 1 1 2loa.mr . . DYANA/DIANA 5 distance NOE simple 10 c18199_2loa 1 1 2loa.mr . . DYANA/DIANA 6 distance 'hydrogen bond' simple 21 c18199_2loa 1 1 2loa.mr . . DYANA/DIANA 7 distance 'general distance' simple 25 c18199_2loa 1 1 2loa.mr . . DYANA/DIANA 8 distance NOE simple 67 c18199_2loa 1 1 2loa.mr . . DYANA/DIANA 9 distance 'hydrogen bond' simple 20 c18199_2loa 1 1 2loa.mr . . DYANA/DIANA 10 distance 'hydrogen bond' simple 19 c18199_2loa 1 1 2loa.mr . . DYANA/DIANA 11 distance NOE simple 97 c18199_2loa 1 1 2loa.mr . . DYANA/DIANA 12 distance NOE simple 10 c18199_2loa 1 1 2loa.mr . . DYANA/DIANA 13 distance 'hydrogen bond' simple 21 c18199_2loa 1 1 2loa.mr . . 'MR format' 14 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c18199_2loa 1 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_4 _Gen_dist_constraint_list.Entry_ID c18199_2loa _Gen_dist_constraint_list.ID 2 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 4 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c18199_2loa 1 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 8 8 DT H1' H . . . 1 1 7 7 DG H8 H . . . . . . . 5.0 . . . . . A . 9 DT H1' . . A . 8 DG H8 . . . 9 DT H1' . . . . . 8 DG H8 . . c18199_2loa 1 2 1 . . 1 1 8 8 DT M7 H . . . 1 1 7 7 DG H5' H . . . . . . . 6.0 . . . . . A . 9 DT M7 . . A . 8 DG H5' . . . 9 DT H71 . . . . . 8 DG H5' . . c18199_2loa 1 3 1 . . 1 1 8 8 DT M7 H . . . 1 1 7 7 DG H4' H . . . . . . . 6.0 . . . . . A . 9 DT M7 . . A . 8 DG H4' . . . 9 DT H71 . . . . . 8 DG H4' . . c18199_2loa 1 4 1 . . 1 1 8 8 DT M7 H . . . 1 1 7 7 DG H2' H . . . . . . . 6.0 . . . . . A . 9 DT M7 . . A . 8 DG H2' . . . 9 DT H71 . . . . . 8 DG H2' . . c18199_2loa 1 5 1 . . 1 1 8 8 DT M7 H . . . 1 1 7 7 DG H1' H . . . . . . . 6.0 . . . . . A . 9 DT M7 . . A . 8 DG H1' . . . 9 DT H71 . . . . . 8 DG H1' . . c18199_2loa 1 6 1 . . 1 1 8 8 DT M7 H . . . 1 1 7 7 DG H2'' H . . . . . . . 6.0 . . . . . A . 9 DT M7 . . A . 8 DG H2'' . . . 9 DT H71 . . . . . 8 DG H2'' . . c18199_2loa 1 7 1 . . 1 1 7 7 DG H5' H . . . 1 1 8 8 DT H6 H . . . . . . . 6.0 . . . . . A . 8 DG H5' . . A . 9 DT H6 . . . 8 DG H5' . . . . . 9 DT H6 . . c18199_2loa 1 8 1 . . 1 1 7 7 DG H4' H . . . 1 1 8 8 DT H6 H . . . . . . . 6.0 . . . . . A . 8 DG H4' . . A . 9 DT H6 . . . 8 DG H4' . . . . . 9 DT H6 . . c18199_2loa 1 9 1 . . 1 1 7 7 DG H2' H . . . 1 1 8 8 DT H6 H . . . . . . . 6.0 . . . . . A . 8 DG H2' . . A . 9 DT H6 . . . 8 DG H2' . . . . . 9 DT H6 . . c18199_2loa 1 10 1 . . 1 1 7 7 DG H1' H . . . 1 1 8 8 DT H6 H . . . . . . . 6.0 . . . . . A . 8 DG H1' . . A . 9 DT H6 . . . 8 DG H1' . . . . . 9 DT H6 . . c18199_2loa 1 11 1 . . 1 1 7 7 DG H2'' H . . . 1 1 8 8 DT H6 H . . . . . . . 6.0 . . . . . A . 8 DG H2'' . . A . 9 DT H6 . . . 8 DG H2'' . . . . . 9 DT H6 . . c18199_2loa 1 stop_ save_ save_DYANA/DIANA_distance_constraints_11 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_11 _Gen_dist_constraint_list.Entry_ID c18199_2loa _Gen_dist_constraint_list.ID 9 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 11 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c18199_2loa 2 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 1 1 DG H2'' H . . . 1 1 1 1 DG H1' H . . . . . . . 2.61 . . . . . A . 2 DG H2'' . . A . 2 DG H1' . . . 2 DG H2'' . . . . . 2 DG H1' . . c18199_2loa 2 2 1 . . 1 1 1 1 DG H1' H . . . 1 1 1 1 DG H2' H . . . . . . . 3.00 . . . . . A . 2 DG H1' . . A . 2 DG H2' . . . 2 DG H1' . . . . . 2 DG H2' . . c18199_2loa 2 3 1 . . 1 1 1 1 DG H2' H . . . 1 1 1 1 DG H8 H . . . . . . . 3.48 . . . . . A . 2 DG H2' . . A . 2 DG H8 . . . 2 DG H2' . . . . . 2 DG H8 . . c18199_2loa 2 4 1 . . 1 1 1 1 DG H2'' H . . . 1 1 1 1 DG H8 H . . . . . . . 4.73 . . . . . A . 2 DG H2'' . . A . 2 DG H8 . . . 2 DG H2'' . . . . . 2 DG H8 . . c18199_2loa 2 5 1 . . 1 1 2 2 DC H6 H . . . 1 1 3 3 DC H5 H . . . . . . . 3.22 . . . . . A . 3 DC H6 . . A . 4 DC H5 . . . 3 DC H6 . . . . . 4 DC H5 . . c18199_2loa 2 6 1 . . 1 1 3 3 DC H6 H . . . 1 1 2 2 DC H2' H . . . . . . . 3.28 . . . . . A . 4 DC H6 . . A . 3 DC H2' . . . 4 DC H6 . . . . . 3 DC H2' . . c18199_2loa 2 7 1 . . 1 1 2 2 DC H6 H . . . 1 1 2 2 DC H5 H . . . . . . . 3.71 . . . . . A . 3 DC H6 . . A . 3 DC H5 . . . 3 DC H6 . . . . . 3 DC H5 . . c18199_2loa 2 8 1 . . 1 1 2 2 DC H2'' H . . . 1 1 2 2 DC H1' H . . . . . . . 3.73 . . . . . A . 3 DC H2'' . . A . 3 DC H1' . . . 3 DC H2'' . . . . . 3 DC H1' . . c18199_2loa 2 9 1 . . 1 1 1 1 DG H2'' H . . . 1 1 2 2 DC H6 H . . . . . . . 3.77 . . . . . A . 2 DG H2'' . . A . 3 DC H6 . . . 2 DG H2'' . . . . . 3 DC H6 . . c18199_2loa 2 10 1 . . 1 1 2 2 DC H2' H . . . 1 1 2 2 DC H1' H . . . . . . . 3.86 . . . . . A . 3 DC H2' . . A . 3 DC H1' . . . 3 DC H2' . . . . . 3 DC H1' . . c18199_2loa 2 11 1 . . 1 1 1 1 DG H2' H . . . 1 1 2 2 DC H6 H . . . . . . . 4.01 . . . . . A . 2 DG H2' . . A . 3 DC H6 . . . 2 DG H2' . . . . . 3 DC H6 . . c18199_2loa 2 12 1 . . 1 1 2 2 DC H6 H . . . 1 1 2 2 DC H2'' H . . . . . . . 4.14 . . . . . A . 3 DC H6 . . A . 3 DC H2'' . . . 3 DC H6 . . . . . 3 DC H2'' . . c18199_2loa 2 13 1 . . 1 1 2 2 DC H6 H . . . 1 1 2 2 DC H1' H . . . . . . . 4.35 . . . . . A . 3 DC H6 . . A . 3 DC H1' . . . 3 DC H6 . . . . . 3 DC H1' . . c18199_2loa 2 14 1 . . 1 1 2 2 DC H6 H . . . 1 1 2 2 DC H2' H . . . . . . . 5.50 . . . . . A . 3 DC H6 . . A . 3 DC H2' . . . 3 DC H6 . . . . . 3 DC H2' . . c18199_2loa 2 15 1 . . 1 1 3 3 DC H2'' H . . . 1 1 3 3 DC H1' H . . . . . . . 3.53 . . . . . A . 4 DC H2'' . . A . 4 DC H1' . . . 4 DC H2'' . . . . . 4 DC H1' . . c18199_2loa 2 16 1 . . 1 1 3 3 DC H6 H . . . 1 1 3 3 DC H2'' H . . . . . . . 3.64 . . . . . A . 4 DC H6 . . A . 4 DC H2'' . . . 4 DC H6 . . . . . 4 DC H2'' . . c18199_2loa 2 17 1 . . 1 1 3 3 DC H6 H . . . 1 1 3 3 DC H2' H . . . . . . . 3.65 . . . . . A . 4 DC H6 . . A . 4 DC H2' . . . 4 DC H6 . . . . . 4 DC H2' . . c18199_2loa 2 18 1 . . 1 1 3 3 DC H6 H . . . 1 1 3 3 DC H5 H . . . . . . . 3.90 . . . . . A . 4 DC H6 . . A . 4 DC H5 . . . 4 DC H6 . . . . . 4 DC H5 . . c18199_2loa 2 19 1 . . 1 1 3 3 DC H1' H . . . 1 1 3 3 DC H2' H . . . . . . . 3.94 . . . . . A . 4 DC H1' . . A . 4 DC H2' . . . 4 DC H1' . . . . . 4 DC H2' . . c18199_2loa 2 20 1 . . 1 1 3 3 DC H6 H . . . 1 1 3 3 DC H1' H . . . . . . . 5.50 . . . . . A . 4 DC H6 . . A . 4 DC H1' . . . 4 DC H6 . . . . . 4 DC H1' . . c18199_2loa 2 21 1 . . 1 1 4 4 DG H2'' H . . . 1 1 4 4 DG H1' H . . . . . . . 2.63 . . . . . A . 5 DG H2'' . . A . 5 DG H1' . . . 5 DG H2'' . . . . . 5 DG H1' . . c18199_2loa 2 22 1 . . 1 1 4 4 DG H2' H . . . 1 1 4 4 DG H1' H . . . . . . . 3.62 . . . . . A . 5 DG H2' . . A . 5 DG H1' . . . 5 DG H2' . . . . . 5 DG H1' . . c18199_2loa 2 23 1 . . 1 1 4 4 DG H2'' H . . . 1 1 4 4 DG H3' H . . . . . . . 3.96 . . . . . A . 5 DG H2'' . . A . 5 DG H3' . . . 5 DG H2'' . . . . . 5 DG H3' . . c18199_2loa 2 24 1 . . 1 1 4 4 DG H8 H . . . 1 1 4 4 DG H2' H . . . . . . . 3.97 . . . . . A . 5 DG H8 . . A . 5 DG H2' . . . 5 DG H8 . . . . . 5 DG H2' . . c18199_2loa 2 25 1 . . 1 1 4 4 DG H8 H . . . 1 1 4 4 DG H1' H . . . . . . . 4.24 . . . . . A . 5 DG H8 . . A . 5 DG H1' . . . 5 DG H8 . . . . . 5 DG H1' . . c18199_2loa 2 26 1 . . 1 1 4 4 DG H8 H . . . 1 1 4 4 DG H2'' H . . . . . . . 4.42 . . . . . A . 5 DG H8 . . A . 5 DG H2'' . . . 5 DG H8 . . . . . 5 DG H2'' . . c18199_2loa 2 27 1 . . 1 1 4 4 DG H2' H . . . 1 1 4 4 DG H3' H . . . . . . . 4.72 . . . . . A . 5 DG H2' . . A . 5 DG H3' . . . 5 DG H2' . . . . . 5 DG H3' . . c18199_2loa 2 28 1 . . 1 1 4 4 DG H8 H . . . 1 1 3 3 DC H1' H . . . . . . . 5.50 . . . . . A . 5 DG H8 . . A . 4 DC H1' . . . 5 DG H8 . . . . . 4 DC H1' . . c18199_2loa 2 29 1 . . 1 1 5 5 DC H2'' H . . . 1 1 5 5 DC H1' H . . . . . . . 3.44 . . . . . A . 6 DC H2'' . . A . 6 DC H1' . . . 6 DC H2'' . . . . . 6 DC H1' . . c18199_2loa 2 30 1 . . 1 1 5 5 DC H6 H . . . 1 1 5 5 DC H2' H . . . . . . . 3.52 . . . . . A . 6 DC H6 . . A . 6 DC H2' . . . 6 DC H6 . . . . . 6 DC H2' . . c18199_2loa 2 31 1 . . 1 1 5 5 DC H5 H . . . 1 1 5 5 DC H6 H . . . . . . . 3.68 . . . . . A . 6 DC H5 . . A . 6 DC H6 . . . 6 DC H5 . . . . . 6 DC H6 . . c18199_2loa 2 32 1 . . 1 1 5 5 DC H1' H . . . 1 1 5 5 DC H2' H . . . . . . . 3.70 . . . . . A . 6 DC H1' . . A . 6 DC H2' . . . 6 DC H1' . . . . . 6 DC H2' . . c18199_2loa 2 33 1 . . 1 1 5 5 DC H6 H . . . 1 1 4 4 DG H2'' H . . . . . . . 3.80 . . . . . A . 6 DC H6 . . A . 5 DG H2'' . . . 6 DC H6 . . . . . 5 DG H2'' . . c18199_2loa 2 34 1 . . 1 1 5 5 DC H6 H . . . 1 1 4 4 DG H1' H . . . . . . . 3.80 . . . . . A . 6 DC H6 . . A . 5 DG H1' . . . 6 DC H6 . . . . . 5 DG H1' . . c18199_2loa 2 35 1 . . 1 1 5 5 DC H6 H . . . 1 1 5 5 DC H2'' H . . . . . . . 3.89 . . . . . A . 6 DC H6 . . A . 6 DC H2'' . . . 6 DC H6 . . . . . 6 DC H2'' . . c18199_2loa 2 36 1 . . 1 1 5 5 DC H2' H . . . 1 1 5 5 DC H3' H . . . . . . . 4.03 . . . . . A . 6 DC H2' . . A . 6 DC H3' . . . 6 DC H2' . . . . . 6 DC H3' . . c18199_2loa 2 37 1 . . 1 1 5 5 DC H2'' H . . . 1 1 5 5 DC H3' H . . . . . . . 4.07 . . . . . A . 6 DC H2'' . . A . 6 DC H3' . . . 6 DC H2'' . . . . . 6 DC H3' . . c18199_2loa 2 38 1 . . 1 1 5 5 DC H5 H . . . 1 1 4 4 DG H2'' H . . . . . . . 4.31 . . . . . A . 6 DC H5 . . A . 5 DG H2'' . . . 6 DC H5 . . . . . 5 DG H2'' . . c18199_2loa 2 39 1 . . 1 1 5 5 DC H5 H . . . 1 1 4 4 DG H2' H . . . . . . . 5.50 . . . . . A . 6 DC H5 . . A . 5 DG H2' . . . 6 DC H5 . . . . . 5 DG H2' . . c18199_2loa 2 40 1 . . 1 1 7 7 DG H2' H . . . 1 1 7 7 DG H1' H . . . . . . . 3.57 . . . . . A . 8 DG H2' . . A . 8 DG H1' . . . 8 DG H2' . . . . . 8 DG H1' . . c18199_2loa 2 41 1 . . 1 1 7 7 DG H1' H . . . 1 1 7 7 DG H2'' H . . . . . . . 3.71 . . . . . A . 8 DG H1' . . A . 8 DG H2'' . . . 8 DG H1' . . . . . 8 DG H2'' . . c18199_2loa 2 42 1 . . 1 1 7 7 DG H2'' H . . . 1 1 7 7 DG H3' H . . . . . . . 3.80 . . . . . A . 8 DG H2'' . . A . 8 DG H3' . . . 8 DG H2'' . . . . . 8 DG H3' . . c18199_2loa 2 43 1 . . 1 1 7 7 DG H2' H . . . 1 1 7 7 DG H3' H . . . . . . . 4.13 . . . . . A . 8 DG H2' . . A . 8 DG H3' . . . 8 DG H2' . . . . . 8 DG H3' . . c18199_2loa 2 44 1 . . 1 1 8 8 DT H6 H . . . 1 1 8 8 DT H2'' H . . . . . . . 4.50 . . . . . A . 9 DT H6 . . A . 9 DT H2'' . . . 9 DT H6 . . . . . 9 DT H2'' . . c18199_2loa 2 45 1 . . 1 1 8 8 DT H6 H . . . 1 1 8 8 DT H2' H . . . . . . . 3.70 . . . . . A . 9 DT H6 . . A . 9 DT H2' . . . 9 DT H6 . . . . . 9 DT H2' . . c18199_2loa 2 46 1 . . 1 1 8 8 DT H2' H . . . 1 1 8 8 DT H3' H . . . . . . . 3.72 . . . . . A . 9 DT H2' . . A . 9 DT H3' . . . 9 DT H2' . . . . . 9 DT H3' . . c18199_2loa 2 47 1 . . 1 1 8 8 DT M7 H . . . 1 1 8 8 DT H6 H . . . . . . . 3.73 . . . . . A . 9 DT M7 . . A . 9 DT H6 . . . 9 DT H71 . . . . . 9 DT H6 . . c18199_2loa 2 48 1 . . 1 1 8 8 DT H1' H . . . 1 1 8 8 DT H2'' H . . . . . . . 3.88 . . . . . A . 9 DT H1' . . A . 9 DT H2'' . . . 9 DT H1' . . . . . 9 DT H2'' . . c18199_2loa 2 49 1 . . 1 1 8 8 DT H1' H . . . 1 1 8 8 DT H2' H . . . . . . . 3.75 . . . . . A . 9 DT H1' . . A . 9 DT H2' . . . 9 DT H1' . . . . . 9 DT H2' . . c18199_2loa 2 50 1 . . 1 1 8 8 DT H2'' H . . . 1 1 8 8 DT H3' H . . . . . . . 4.48 . . . . . A . 9 DT H2'' . . A . 9 DT H3' . . . 9 DT H2'' . . . . . 9 DT H3' . . c18199_2loa 2 51 1 . . 1 1 8 8 DT M7 H . . . 1 1 8 8 DT H1' H . . . . . . . 5.00 . . . . . A . 9 DT M7 . . A . 9 DT H1' . . . 9 DT H71 . . . . . 9 DT H1' . . c18199_2loa 2 52 1 . . 1 1 8 8 DT H5' H . . . 1 1 8 8 DT H3' H . . . . . . . 5.50 . . . . . A . 9 DT H5' . . A . 9 DT H3' . . . 9 DT H5' . . . . . 9 DT H3' . . c18199_2loa 2 53 1 . . 1 1 9 9 DG H8 H . . . 1 1 8 8 DT H2'' H . . . . . . . 4.21 . . . . . A . 10 DG H8 . . A . 9 DT H2'' . . . 10 DG H8 . . . . . 9 DT H2'' . . c18199_2loa 2 54 1 . . 1 1 9 9 DG H1' H . . . 1 1 9 9 DG H2'' H . . . . . . . 3.38 . . . . . A . 10 DG H1' . . A . 10 DG H2'' . . . 10 DG H1' . . . . . 10 DG H2'' . . c18199_2loa 2 55 1 . . 1 1 9 9 DG H1' H . . . 1 1 9 9 DG H2' H . . . . . . . 3.60 . . . . . A . 10 DG H1' . . A . 10 DG H2' . . . 10 DG H1' . . . . . 10 DG H2' . . c18199_2loa 2 56 1 . . 1 1 9 9 DG H2'' H . . . 1 1 9 9 DG H3' H . . . . . . . 3.90 . . . . . A . 10 DG H2'' . . A . 10 DG H3' . . . 10 DG H2'' . . . . . 10 DG H3' . . c18199_2loa 2 57 1 . . 1 1 9 9 DG H2' H . . . 1 1 9 9 DG H3' H . . . . . . . 4.06 . . . . . A . 10 DG H2' . . A . 10 DG H3' . . . 10 DG H2' . . . . . 10 DG H3' . . c18199_2loa 2 58 1 . . 1 1 9 9 DG H1' H . . . 1 1 10 10 DC H6 H . . . . . . . 5.50 . . . . . A . 10 DG H1' . . A . 11 DC H6 . . . 10 DG H1' . . . . . 11 DC H6 . . c18199_2loa 2 59 1 . . 1 1 10 10 DC H2'' H . . . 1 1 10 10 DC H1' H . . . . . . . 3.70 . . . . . A . 11 DC H2'' . . A . 11 DC H1' . . . 11 DC H2'' . . . . . 11 DC H1' . . c18199_2loa 2 60 1 . . 1 1 10 10 DC H6 H . . . 1 1 10 10 DC H2'' H . . . . . . . 3.81 . . . . . A . 11 DC H6 . . A . 11 DC H2'' . . . 11 DC H6 . . . . . 11 DC H2'' . . c18199_2loa 2 61 1 . . 1 1 10 10 DC H3' H . . . 1 1 10 10 DC H2' H . . . . . . . 3.85 . . . . . A . 11 DC H3' . . A . 11 DC H2' . . . 11 DC H3' . . . . . 11 DC H2' . . c18199_2loa 2 62 1 . . 1 1 10 10 DC H2'' H . . . 1 1 10 10 DC H3' H . . . . . . . 3.93 . . . . . A . 11 DC H2'' . . A . 11 DC H3' . . . 11 DC H2'' . . . . . 11 DC H3' . . c18199_2loa 2 63 1 . . 1 1 10 10 DC H1' H . . . 1 1 10 10 DC H2' H . . . . . . . 4.12 . . . . . A . 11 DC H1' . . A . 11 DC H2' . . . 11 DC H1' . . . . . 11 DC H2' . . c18199_2loa 2 64 1 . . 1 1 9 9 DG H2' H . . . 1 1 10 10 DC H6 H . . . . . . . 5.50 . . . . . A . 10 DG H2' . . A . 11 DC H6 . . . 10 DG H2' . . . . . 11 DC H6 . . c18199_2loa 2 65 1 . . 1 1 9 9 DG H2'' H . . . 1 1 10 10 DC H6 H . . . . . . . 5.50 . . . . . A . 10 DG H2'' . . A . 11 DC H6 . . . 10 DG H2'' . . . . . 11 DC H6 . . c18199_2loa 2 66 1 . . 1 1 10 10 DC H6 H . . . 1 1 10 10 DC H2' H . . . . . . . 5.50 . . . . . A . 11 DC H6 . . A . 11 DC H2' . . . 11 DC H6 . . . . . 11 DC H2' . . c18199_2loa 2 67 1 . . 1 1 1 1 DG H21 H . . . 1 1 10 10 DC O2 O . . . . . . . 2.00 . . . . . A . 2 DG H21 . . A . 11 DC O2 . . . 2 DG H21 . . . . . 11 DC O2 . . c18199_2loa 2 68 1 . . 1 1 10 10 DC O2 O . . . 1 1 1 1 DG N2 N . . . . . . . 3.00 . . . . . A . 11 DC O2 . . A . 2 DG N2 . . . 11 DC O2 . . . . . 2 DG N2 . . c18199_2loa 2 69 1 . . 1 1 1 1 DG H1 H . . . 1 1 10 10 DC N3 N . . . . . . . 2.00 . . . . . A . 2 DG H1 . . A . 11 DC N3 . . . 2 DG H1 . . . . . 11 DC N3 . . c18199_2loa 2 70 1 . . 1 1 1 1 DG N1 N . . . 1 1 10 10 DC N3 N . . . . . . . 3.00 . . . . . A . 2 DG N1 . . A . 11 DC N3 . . . 2 DG N1 . . . . . 11 DC N3 . . c18199_2loa 2 71 1 . . 1 1 1 1 DG O6 O . . . 1 1 10 10 DC H41 H . . . . . . . 2.00 . . . . . A . 2 DG O6 . . A . 11 DC H41 . . . 2 DG O6 . . . . . 11 DC H41 . . c18199_2loa 2 72 1 . . 1 1 1 1 DG O6 O . . . 1 1 10 10 DC N4 N . . . . . . . 3.00 . . . . . A . 2 DG O6 . . A . 11 DC N4 . . . 2 DG O6 . . . . . 11 DC N4 . . c18199_2loa 2 73 1 . . 1 1 1 1 DG C1' C . . . 1 1 10 10 DC C1' C . . . . . . . 10.90 . . . . . A . 2 DG C1' . . A . 11 DC C1' . . . 2 DG C1' . . . . . 11 DC C1' . . c18199_2loa 2 74 1 . . 1 1 2 2 DC O2 O . . . 1 1 9 9 DG H21 H . . . . . . . 2.00 . . . . . A . 3 DC O2 . . A . 10 DG H21 . . . 3 DC O2 . . . . . 10 DG H21 . . c18199_2loa 2 75 1 . . 1 1 2 2 DC O2 O . . . 1 1 9 9 DG N2 N . . . . . . . 3.00 . . . . . A . 3 DC O2 . . A . 10 DG N2 . . . 3 DC O2 . . . . . 10 DG N2 . . c18199_2loa 2 76 1 . . 1 1 2 2 DC N3 N . . . 1 1 9 9 DG H1 H . . . . . . . 2.00 . . . . . A . 3 DC N3 . . A . 10 DG H1 . . . 3 DC N3 . . . . . 10 DG H1 . . c18199_2loa 2 77 1 . . 1 1 9 9 DG N1 N . . . 1 1 2 2 DC N3 N . . . . . . . 3.00 . . . . . A . 10 DG N1 . . A . 3 DC N3 . . . 10 DG N1 . . . . . 3 DC N3 . . c18199_2loa 2 78 1 . . 1 1 2 2 DC H41 H . . . 1 1 9 9 DG O6 O . . . . . . . 2.00 . . . . . A . 3 DC H41 . . A . 10 DG O6 . . . 3 DC H41 . . . . . 10 DG O6 . . c18199_2loa 2 79 1 . . 1 1 9 9 DG O6 O . . . 1 1 2 2 DC N4 N . . . . . . . 3.00 . . . . . A . 10 DG O6 . . A . 3 DC N4 . . . 10 DG O6 . . . . . 3 DC N4 . . c18199_2loa 2 80 1 . . 1 1 2 2 DC C1' C . . . 1 1 9 9 DG C1' C . . . . . . . 10.90 . . . . . A . 3 DC C1' . . A . 10 DG C1' . . . 3 DC C1' . . . . . 10 DG C1' . . c18199_2loa 2 81 1 . . 1 1 3 3 DC O2 O . . . 1 1 7 7 DG H21 H . . . . . . . 2.00 . . . . . A . 4 DC O2 . . A . 8 DG H21 . . . 4 DC O2 . . . . . 8 DG H21 . . c18199_2loa 2 82 1 . . 1 1 3 3 DC O2 O . . . 1 1 7 7 DG N2 N . . . . . . . 3.00 . . . . . A . 4 DC O2 . . A . 8 DG N2 . . . 4 DC O2 . . . . . 8 DG N2 . . c18199_2loa 2 83 1 . . 1 1 3 3 DC N3 N . . . 1 1 7 7 DG H1 H . . . . . . . 2.00 . . . . . A . 4 DC N3 . . A . 8 DG H1 . . . 4 DC N3 . . . . . 8 DG H1 . . c18199_2loa 2 84 1 . . 1 1 3 3 DC N3 N . . . 1 1 7 7 DG N1 N . . . . . . . 3.00 . . . . . A . 4 DC N3 . . A . 8 DG N1 . . . 4 DC N3 . . . . . 8 DG N1 . . c18199_2loa 2 85 1 . . 1 1 3 3 DC H41 H . . . 1 1 7 7 DG O6 O . . . . . . . 2.00 . . . . . A . 4 DC H41 . . A . 8 DG O6 . . . 4 DC H41 . . . . . 8 DG O6 . . c18199_2loa 2 86 1 . . 1 1 7 7 DG O6 O . . . 1 1 3 3 DC N4 N . . . . . . . 3.00 . . . . . A . 8 DG O6 . . A . 4 DC N4 . . . 8 DG O6 . . . . . 4 DC N4 . . c18199_2loa 2 87 1 . . 1 1 8 8 DT M7 H . . . 1 1 7 7 DG H5' H . . . . . . . 6.00 . . . . . A . 9 DT M7 . . A . 8 DG H5' . . . 9 DT H71 . . . . . 8 DG H5' . . c18199_2loa 2 88 1 . . 1 1 8 8 DT M7 H . . . 1 1 7 7 DG H4' H . . . . . . . 6.00 . . . . . A . 9 DT M7 . . A . 8 DG H4' . . . 9 DT H71 . . . . . 8 DG H4' . . c18199_2loa 2 89 1 . . 1 1 8 8 DT M7 H . . . 1 1 7 7 DG H2' H . . . . . . . 6.00 . . . . . A . 9 DT M7 . . A . 8 DG H2' . . . 9 DT H71 . . . . . 8 DG H2' . . c18199_2loa 2 90 1 . . 1 1 8 8 DT M7 H . . . 1 1 7 7 DG H1' H . . . . . . . 6.00 . . . . . A . 9 DT M7 . . A . 8 DG H1' . . . 9 DT H71 . . . . . 8 DG H1' . . c18199_2loa 2 91 1 . . 1 1 8 8 DT M7 H . . . 1 1 7 7 DG H2'' H . . . . . . . 6.00 . . . . . A . 9 DT M7 . . A . 8 DG H2'' . . . 9 DT H71 . . . . . 8 DG H2'' . . c18199_2loa 2 92 1 . . 1 1 7 7 DG H5' H . . . 1 1 8 8 DT H6 H . . . . . . . 6.00 . . . . . A . 8 DG H5' . . A . 9 DT H6 . . . 8 DG H5' . . . . . 9 DT H6 . . c18199_2loa 2 93 1 . . 1 1 7 7 DG H4' H . . . 1 1 8 8 DT H6 H . . . . . . . 6.00 . . . . . A . 8 DG H4' . . A . 9 DT H6 . . . 8 DG H4' . . . . . 9 DT H6 . . c18199_2loa 2 94 1 . . 1 1 7 7 DG H2' H . . . 1 1 8 8 DT H6 H . . . . . . . 6.00 . . . . . A . 8 DG H2' . . A . 9 DT H6 . . . 8 DG H2' . . . . . 9 DT H6 . . c18199_2loa 2 95 1 . . 1 1 7 7 DG H1' H . . . 1 1 8 8 DT H6 H . . . . . . . 6.00 . . . . . A . 8 DG H1' . . A . 9 DT H6 . . . 8 DG H1' . . . . . 9 DT H6 . . c18199_2loa 2 96 1 . . 1 1 7 7 DG H2'' H . . . 1 1 8 8 DT H6 H . . . . . . . 6.00 . . . . . A . 8 DG H2'' . . A . 9 DT H6 . . . 8 DG H2'' . . . . . 9 DT H6 . . c18199_2loa 2 stop_ loop_ _Gen_dist_constraint_parse_err.ID _Gen_dist_constraint_parse_err.Content _Gen_dist_constraint_parse_err.Begin_line _Gen_dist_constraint_parse_err.Begin_column _Gen_dist_constraint_parse_err.End_line _Gen_dist_constraint_parse_err.End_column _Gen_dist_constraint_parse_err.Entry_ID _Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID 1 "4 DC C1' 8 DG C1' 10.90 9 DT H1' 8 DG H8 5.0" 88 3 88 57 c18199_2loa 2 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 11 53 1 ; Not handling restraint 53, item 1, resonance(s) ' .9.H5"' (nmrStar names) not linked ; c18199_2loa 2 stop_ save_ save_DYANA/DIANA_distance_constraints_5 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_5 _Gen_dist_constraint_list.Entry_ID c18199_2loa _Gen_dist_constraint_list.ID 3 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 5 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c18199_2loa 3 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 8 8 DT H6 H . . . 1 1 9 9 DG H1' H . . . . . . 6.0 . . . . . . A . 9 DT H6 . . A . 10 DG H1' . . . 9 DT H6 . . . . . 10 DG H1' . . c18199_2loa 3 2 1 . . 1 1 8 8 DT H6 H . . . 1 1 9 9 DG H4' H . . . . . . 6.0 . . . . . . A . 9 DT H6 . . A . 10 DG H4' . . . 9 DT H6 . . . . . 10 DG H4' . . c18199_2loa 3 3 1 . . 1 1 8 8 DT H6 H . . . 1 1 9 9 DG H2'' H . . . . . . 6.0 . . . . . . A . 9 DT H6 . . A . 10 DG H2'' . . . 9 DT H6 . . . . . 10 DG H2'' . . c18199_2loa 3 4 1 . . 1 1 8 8 DT H6 H . . . 1 1 9 9 DG H2' H . . . . . . 6.0 . . . . . . A . 9 DT H6 . . A . 10 DG H2' . . . 9 DT H6 . . . . . 10 DG H2' . . c18199_2loa 3 5 1 . . 1 1 8 8 DT H6 H . . . 1 1 9 9 DG H3' H . . . . . . 4.0 . . . . . . A . 9 DT H6 . . A . 10 DG H3' . . . 9 DT H6 . . . . . 10 DG H3' . . c18199_2loa 3 6 1 . . 1 1 8 8 DT M7 H . . . 1 1 6 6 DA H2 H . . . . . . 5.0 . . . . . . A . 9 DT M7 . . A . 7 DA H2 . . . 9 DT H71 . . . . . 7 DA H2 . . c18199_2loa 3 7 1 . . 1 1 8 8 DT H6 H . . . 1 1 6 6 DA H2 H . . . . . . 5.0 . . . . . . A . 9 DT H6 . . A . 7 DA H2 . . . 9 DT H6 . . . . . 7 DA H2 . . c18199_2loa 3 8 1 . . 1 1 9 9 DG H8 H . . . 1 1 8 8 DT H6 H . . . . . . 4.0 . . . . . . A . 10 DG H8 . . A . 9 DT H6 . . . 10 DG H8 . . . . . 9 DT H6 . . c18199_2loa 3 9 1 . . 1 1 7 7 DG H8 H . . . 1 1 8 8 DT H6 H . . . . . . 4.0 . . . . . . A . 8 DG H8 . . A . 9 DT H6 . . . 8 DG H8 . . . . . 9 DT H6 . . c18199_2loa 3 10 1 . . 1 1 8 8 DT M7 H . . . 1 1 7 7 DG H8 H . . . . . . 4.5 . . . . . . A . 9 DT M7 . . A . 8 DG H8 . . . 9 DT H71 . . . . . 8 DG H8 . . c18199_2loa 3 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_3 _Gen_dist_constraint_list.Entry_ID c18199_2loa _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 3 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c18199_2loa 4 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 3 1 1 "Not handling restraint 1, item 1, resonance(s) ' .12.H3' (nmrStar names) not linked" c18199_2loa 4 2 3 2 1 "Not handling restraint 2, item 1, resonance(s) ' .12.H8' (nmrStar names) not linked" c18199_2loa 4 3 3 3 1 "Not handling restraint 3, item 1, resonance(s) ' .12.H8' (nmrStar names) not linked" c18199_2loa 4 4 3 4 1 "Not handling restraint 4, item 1, resonance(s) ' .12.H3' (nmrStar names) not linked" c18199_2loa 4 5 3 5 1 "Not handling restraint 5, item 1, resonance(s) ' .12.H8' (nmrStar names) not linked" c18199_2loa 4 6 3 6 1 "Not handling restraint 6, item 1, resonance(s) ' .12.H8' (nmrStar names) not linked" c18199_2loa 4 stop_ save_ save_DYANA/DIANA_distance_constraints_12 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_12 _Gen_dist_constraint_list.Entry_ID c18199_2loa _Gen_dist_constraint_list.ID 10 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 12 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c18199_2loa 5 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 8 8 DT H6 H . . . 1 1 9 9 DG H1' H . . . . . . 6.0 . . . . . . A . 9 DT H6 . . A . 10 DG H1' . . . 9 DT H6 . . . . . 10 DG H1' . . c18199_2loa 5 2 1 . . 1 1 8 8 DT H6 H . . . 1 1 9 9 DG H4' H . . . . . . 6.0 . . . . . . A . 9 DT H6 . . A . 10 DG H4' . . . 9 DT H6 . . . . . 10 DG H4' . . c18199_2loa 5 3 1 . . 1 1 8 8 DT H6 H . . . 1 1 9 9 DG H2'' H . . . . . . 6.0 . . . . . . A . 9 DT H6 . . A . 10 DG H2'' . . . 9 DT H6 . . . . . 10 DG H2'' . . c18199_2loa 5 4 1 . . 1 1 8 8 DT H6 H . . . 1 1 9 9 DG H2' H . . . . . . 6.0 . . . . . . A . 9 DT H6 . . A . 10 DG H2' . . . 9 DT H6 . . . . . 10 DG H2' . . c18199_2loa 5 5 1 . . 1 1 8 8 DT H6 H . . . 1 1 9 9 DG H3' H . . . . . . 4.0 . . . . . . A . 9 DT H6 . . A . 10 DG H3' . . . 9 DT H6 . . . . . 10 DG H3' . . c18199_2loa 5 6 1 . . 1 1 8 8 DT M7 H . . . 1 1 6 6 DA H2 H . . . . . . 5.0 . . . . . . A . 9 DT M7 . . A . 7 DA H2 . . . 9 DT H71 . . . . . 7 DA H2 . . c18199_2loa 5 7 1 . . 1 1 8 8 DT H6 H . . . 1 1 6 6 DA H2 H . . . . . . 5.0 . . . . . . A . 9 DT H6 . . A . 7 DA H2 . . . 9 DT H6 . . . . . 7 DA H2 . . c18199_2loa 5 8 1 . . 1 1 9 9 DG H8 H . . . 1 1 8 8 DT H6 H . . . . . . 4.0 . . . . . . A . 10 DG H8 . . A . 9 DT H6 . . . 10 DG H8 . . . . . 9 DT H6 . . c18199_2loa 5 9 1 . . 1 1 7 7 DG H8 H . . . 1 1 8 8 DT H6 H . . . . . . 4.0 . . . . . . A . 8 DG H8 . . A . 9 DT H6 . . . 8 DG H8 . . . . . 9 DT H6 . . c18199_2loa 5 10 1 . . 1 1 8 8 DT M7 H . . . 1 1 7 7 DG H8 H . . . . . . 4.5 . . . . . . A . 9 DT M7 . . A . 8 DG H8 . . . 9 DT H71 . . . . . 8 DG H8 . . c18199_2loa 5 stop_ save_ save_DYANA/DIANA_distance_constraints_7 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_7 _Gen_dist_constraint_list.Entry_ID c18199_2loa _Gen_dist_constraint_list.ID 5 _Gen_dist_constraint_list.Constraint_type 'general distance' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 7 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c18199_2loa 6 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 4 4 DG N9 N . . . 1 1 6 6 DA N9 N . . . . . . . 8.0 . . . . . A . 5 DG N9 . . A . 7 DA N9 . . . 5 DG N9 . . . . . 7 DA N9 . . c18199_2loa 6 2 1 . . 1 1 4 4 DG N9 N . . . 1 1 6 6 DA N9 N . . . . . . . 8.0 . . . . . A . 5 DG N9 . . A . 7 DA N9 . . . 5 DG N9 . . . . . 7 DA N9 . . c18199_2loa 6 3 1 . . 1 1 4 4 DG C6 C . . . 1 1 6 6 DA N3 N . . . . . . . 9.5 . . . . . A . 5 DG C6 . . A . 7 DA N3 . . . 5 DG C6 . . . . . 7 DA N3 . . c18199_2loa 6 4 1 . . 1 1 4 4 DG H8 H . . . 1 1 5 5 DC H5 H . . . . . . . 3.7 . . . . . A . 5 DG H8 . . A . 6 DC H5 . . . 5 DG H8 . . . . . 6 DC H5 . . c18199_2loa 6 5 1 . . 1 1 4 4 DG H8 H . . . 1 1 3 3 DC H6 H . . . . . . . 4.2 . . . . . A . 5 DG H8 . . A . 4 DC H6 . . . 5 DG H8 . . . . . 4 DC H6 . . c18199_2loa 6 6 1 . . 1 1 7 7 DG H8 H . . . 1 1 6 6 DA H8 H . . . . . . . 4.2 . . . . . A . 8 DG H8 . . A . 7 DA H8 . . . 8 DG H8 . . . . . 7 DA H8 . . c18199_2loa 6 7 1 . . 1 1 4 4 DG H8 H . . . 1 1 5 5 DC H6 H . . . . . . . 4.5 . . . . . A . 5 DG H8 . . A . 6 DC H6 . . . 5 DG H8 . . . . . 6 DC H6 . . c18199_2loa 6 8 1 . . 1 1 4 4 DG C1' C . . . 1 1 6 6 DA C1' C . . . . . . . 9.0 . . . . . A . 5 DG C1' . . A . 7 DA C1' . . . 5 DG C1' . . . . . 7 DA C1' . . c18199_2loa 6 9 1 . . 1 1 9 9 DG H8 H . . . 1 1 7 7 DG H2'' H . . . . . . . 4.0 . . . . . A . 10 DG H8 . . A . 8 DG H2'' . . . 10 DG H8 . . . . . 8 DG H2'' . . c18199_2loa 6 10 1 . . 1 1 7 7 DG C8 C . . . 1 1 8 8 DT H5' H . . . . . . . 6.0 . . . . . A . 8 DG C8 . . A . 9 DT H5' . . . 8 DG C8 . . . . . 9 DT H5' . . c18199_2loa 6 11 1 . . 1 1 7 7 DG H2' H . . . 1 1 8 8 DT H6 H . . . . . . . 3.0 . . . . . A . 8 DG H2' . . A . 9 DT H6 . . . 8 DG H2' . . . . . 9 DT H6 . . c18199_2loa 6 12 1 . . 1 1 1 1 DG N1 N . . . 1 1 9 9 DG N1 N . . . . . . . 4.0 . . . . . A . 2 DG N1 . . A . 10 DG N1 . . . 2 DG N1 . . . . . 10 DG N1 . . c18199_2loa 6 13 1 . . 1 1 4 4 DG H8 H . . . 1 1 3 3 DC H2'' H . . . . . . . 4.0 . . . . . A . 5 DG H8 . . A . 4 DC H2'' . . . 5 DG H8 . . . . . 4 DC H2'' . . c18199_2loa 6 14 1 . . 1 1 5 5 DC H6 H . . . 1 1 4 4 DG H2' H . . . . . . . 2.5 . . . . . A . 6 DC H6 . . A . 5 DG H2' . . . 6 DC H6 . . . . . 5 DG H2' . . c18199_2loa 6 15 1 . . 1 1 4 4 DG C8 C . . . 1 1 6 6 DA C8 C . . . . . . . 9.0 . . . . . A . 5 DG C8 . . A . 7 DA C8 . . . 5 DG C8 . . . . . 7 DA C8 . . c18199_2loa 6 16 1 . . 1 1 3 3 DC N3 N . . . 1 1 4 4 DG N1 N . . . . . . . 5.0 . . . . . A . 4 DC N3 . . A . 5 DG N1 . . . 4 DC N3 . . . . . 5 DG N1 . . c18199_2loa 6 17 1 . . 1 1 4 4 DG N1 N . . . 1 1 7 7 DG N1 N . . . . . . . 5.0 . . . . . A . 5 DG N1 . . A . 8 DG N1 . . . 5 DG N1 . . . . . 8 DG N1 . . c18199_2loa 6 18 1 . . 1 1 9 9 DG N1 N . . . 1 1 7 7 DG N1 N . . . . . . . 5.0 . . . . . A . 10 DG N1 . . A . 8 DG N1 . . . 10 DG N1 . . . . . 8 DG N1 . . c18199_2loa 6 19 1 . . 1 1 4 4 DG N2 N . . . 1 1 6 6 DA N7 N . . . . . . . 3.0 . . . . . A . 5 DG N2 . . A . 7 DA N7 . . . 5 DG N2 . . . . . 7 DA N7 . . c18199_2loa 6 20 1 . . 1 1 4 4 DG N3 N . . . 1 1 6 6 DA N6 N . . . . . . . 3.0 . . . . . A . 5 DG N3 . . A . 7 DA N6 . . . 5 DG N3 . . . . . 7 DA N6 . . c18199_2loa 6 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 7 1 1 "Not handling restraint 1, item 1, resonance(s) ' .12.H8' (nmrStar names) not linked" c18199_2loa 6 2 7 2 1 "Not handling restraint 2, item 1, resonance(s) ' .12.H8' (nmrStar names) not linked" c18199_2loa 6 3 7 3 1 "Not handling restraint 3, item 1, resonance(s) ' .12.H3' (nmrStar names) not linked" c18199_2loa 6 4 7 4 1 "Not handling restraint 4, item 1, resonance(s) ' .12.H8' (nmrStar names) not linked" c18199_2loa 6 5 7 5 1 "Not handling restraint 5, item 1, resonance(s) ' .12.H8' (nmrStar names) not linked" c18199_2loa 6 stop_ save_ save_DYANA/DIANA_distance_constraints_8 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_8 _Gen_dist_constraint_list.Entry_ID c18199_2loa _Gen_dist_constraint_list.ID 6 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 8 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c18199_2loa 7 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 1 1 DG H2'' H . . . 1 1 1 1 DG H1' H . . . . . . . 2.61 . . . . . A . 2 DG H2'' . . A . 2 DG H1' . . . 2 DG H2'' . . . . . 2 DG H1' . . c18199_2loa 7 2 1 . . 1 1 1 1 DG H1' H . . . 1 1 1 1 DG H2' H . . . . . . . 3.00 . . . . . A . 2 DG H1' . . A . 2 DG H2' . . . 2 DG H1' . . . . . 2 DG H2' . . c18199_2loa 7 3 1 . . 1 1 1 1 DG H2' H . . . 1 1 1 1 DG H8 H . . . . . . . 3.48 . . . . . A . 2 DG H2' . . A . 2 DG H8 . . . 2 DG H2' . . . . . 2 DG H8 . . c18199_2loa 7 4 1 . . 1 1 1 1 DG H2'' H . . . 1 1 1 1 DG H8 H . . . . . . . 4.73 . . . . . A . 2 DG H2'' . . A . 2 DG H8 . . . 2 DG H2'' . . . . . 2 DG H8 . . c18199_2loa 7 5 1 . . 1 1 2 2 DC H6 H . . . 1 1 3 3 DC H5 H . . . . . . . 3.22 . . . . . A . 3 DC H6 . . A . 4 DC H5 . . . 3 DC H6 . . . . . 4 DC H5 . . c18199_2loa 7 6 1 . . 1 1 3 3 DC H6 H . . . 1 1 2 2 DC H2' H . . . . . . . 3.28 . . . . . A . 4 DC H6 . . A . 3 DC H2' . . . 4 DC H6 . . . . . 3 DC H2' . . c18199_2loa 7 7 1 . . 1 1 2 2 DC H6 H . . . 1 1 2 2 DC H5 H . . . . . . . 3.71 . . . . . A . 3 DC H6 . . A . 3 DC H5 . . . 3 DC H6 . . . . . 3 DC H5 . . c18199_2loa 7 8 1 . . 1 1 2 2 DC H2'' H . . . 1 1 2 2 DC H1' H . . . . . . . 3.73 . . . . . A . 3 DC H2'' . . A . 3 DC H1' . . . 3 DC H2'' . . . . . 3 DC H1' . . c18199_2loa 7 9 1 . . 1 1 1 1 DG H2'' H . . . 1 1 2 2 DC H6 H . . . . . . . 3.77 . . . . . A . 2 DG H2'' . . A . 3 DC H6 . . . 2 DG H2'' . . . . . 3 DC H6 . . c18199_2loa 7 10 1 . . 1 1 2 2 DC H2' H . . . 1 1 2 2 DC H1' H . . . . . . . 3.86 . . . . . A . 3 DC H2' . . A . 3 DC H1' . . . 3 DC H2' . . . . . 3 DC H1' . . c18199_2loa 7 11 1 . . 1 1 1 1 DG H2' H . . . 1 1 2 2 DC H6 H . . . . . . . 4.01 . . . . . A . 2 DG H2' . . A . 3 DC H6 . . . 2 DG H2' . . . . . 3 DC H6 . . c18199_2loa 7 12 1 . . 1 1 2 2 DC H6 H . . . 1 1 2 2 DC H2'' H . . . . . . . 4.14 . . . . . A . 3 DC H6 . . A . 3 DC H2'' . . . 3 DC H6 . . . . . 3 DC H2'' . . c18199_2loa 7 13 1 . . 1 1 2 2 DC H6 H . . . 1 1 2 2 DC H1' H . . . . . . . 4.35 . . . . . A . 3 DC H6 . . A . 3 DC H1' . . . 3 DC H6 . . . . . 3 DC H1' . . c18199_2loa 7 14 1 . . 1 1 2 2 DC H6 H . . . 1 1 2 2 DC H2' H . . . . . . . 5.50 . . . . . A . 3 DC H6 . . A . 3 DC H2' . . . 3 DC H6 . . . . . 3 DC H2' . . c18199_2loa 7 15 1 . . 1 1 3 3 DC H2'' H . . . 1 1 3 3 DC H1' H . . . . . . . 3.53 . . . . . A . 4 DC H2'' . . A . 4 DC H1' . . . 4 DC H2'' . . . . . 4 DC H1' . . c18199_2loa 7 16 1 . . 1 1 3 3 DC H6 H . . . 1 1 3 3 DC H2'' H . . . . . . . 3.64 . . . . . A . 4 DC H6 . . A . 4 DC H2'' . . . 4 DC H6 . . . . . 4 DC H2'' . . c18199_2loa 7 17 1 . . 1 1 3 3 DC H6 H . . . 1 1 3 3 DC H2' H . . . . . . . 3.65 . . . . . A . 4 DC H6 . . A . 4 DC H2' . . . 4 DC H6 . . . . . 4 DC H2' . . c18199_2loa 7 18 1 . . 1 1 3 3 DC H6 H . . . 1 1 3 3 DC H5 H . . . . . . . 3.90 . . . . . A . 4 DC H6 . . A . 4 DC H5 . . . 4 DC H6 . . . . . 4 DC H5 . . c18199_2loa 7 19 1 . . 1 1 3 3 DC H1' H . . . 1 1 3 3 DC H2' H . . . . . . . 3.94 . . . . . A . 4 DC H1' . . A . 4 DC H2' . . . 4 DC H1' . . . . . 4 DC H2' . . c18199_2loa 7 20 1 . . 1 1 3 3 DC H6 H . . . 1 1 3 3 DC H1' H . . . . . . . 5.50 . . . . . A . 4 DC H6 . . A . 4 DC H1' . . . 4 DC H6 . . . . . 4 DC H1' . . c18199_2loa 7 21 1 . . 1 1 4 4 DG H2'' H . . . 1 1 4 4 DG H1' H . . . . . . . 2.63 . . . . . A . 5 DG H2'' . . A . 5 DG H1' . . . 5 DG H2'' . . . . . 5 DG H1' . . c18199_2loa 7 22 1 . . 1 1 4 4 DG H2' H . . . 1 1 4 4 DG H1' H . . . . . . . 3.62 . . . . . A . 5 DG H2' . . A . 5 DG H1' . . . 5 DG H2' . . . . . 5 DG H1' . . c18199_2loa 7 23 1 . . 1 1 4 4 DG H2'' H . . . 1 1 4 4 DG H3' H . . . . . . . 3.96 . . . . . A . 5 DG H2'' . . A . 5 DG H3' . . . 5 DG H2'' . . . . . 5 DG H3' . . c18199_2loa 7 24 1 . . 1 1 4 4 DG H8 H . . . 1 1 4 4 DG H2' H . . . . . . . 3.97 . . . . . A . 5 DG H8 . . A . 5 DG H2' . . . 5 DG H8 . . . . . 5 DG H2' . . c18199_2loa 7 25 1 . . 1 1 4 4 DG H8 H . . . 1 1 4 4 DG H1' H . . . . . . . 4.24 . . . . . A . 5 DG H8 . . A . 5 DG H1' . . . 5 DG H8 . . . . . 5 DG H1' . . c18199_2loa 7 26 1 . . 1 1 4 4 DG H8 H . . . 1 1 4 4 DG H2'' H . . . . . . . 4.42 . . . . . A . 5 DG H8 . . A . 5 DG H2'' . . . 5 DG H8 . . . . . 5 DG H2'' . . c18199_2loa 7 27 1 . . 1 1 4 4 DG H2' H . . . 1 1 4 4 DG H3' H . . . . . . . 4.72 . . . . . A . 5 DG H2' . . A . 5 DG H3' . . . 5 DG H2' . . . . . 5 DG H3' . . c18199_2loa 7 28 1 . . 1 1 4 4 DG H8 H . . . 1 1 3 3 DC H1' H . . . . . . . 5.50 . . . . . A . 5 DG H8 . . A . 4 DC H1' . . . 5 DG H8 . . . . . 4 DC H1' . . c18199_2loa 7 29 1 . . 1 1 5 5 DC H2'' H . . . 1 1 5 5 DC H1' H . . . . . . . 3.44 . . . . . A . 6 DC H2'' . . A . 6 DC H1' . . . 6 DC H2'' . . . . . 6 DC H1' . . c18199_2loa 7 30 1 . . 1 1 5 5 DC H6 H . . . 1 1 5 5 DC H2' H . . . . . . . 3.52 . . . . . A . 6 DC H6 . . A . 6 DC H2' . . . 6 DC H6 . . . . . 6 DC H2' . . c18199_2loa 7 31 1 . . 1 1 5 5 DC H5 H . . . 1 1 5 5 DC H6 H . . . . . . . 3.68 . . . . . A . 6 DC H5 . . A . 6 DC H6 . . . 6 DC H5 . . . . . 6 DC H6 . . c18199_2loa 7 32 1 . . 1 1 5 5 DC H1' H . . . 1 1 5 5 DC H2' H . . . . . . . 3.70 . . . . . A . 6 DC H1' . . A . 6 DC H2' . . . 6 DC H1' . . . . . 6 DC H2' . . c18199_2loa 7 33 1 . . 1 1 5 5 DC H6 H . . . 1 1 4 4 DG H2'' H . . . . . . . 3.80 . . . . . A . 6 DC H6 . . A . 5 DG H2'' . . . 6 DC H6 . . . . . 5 DG H2'' . . c18199_2loa 7 34 1 . . 1 1 5 5 DC H6 H . . . 1 1 4 4 DG H1' H . . . . . . . 3.80 . . . . . A . 6 DC H6 . . A . 5 DG H1' . . . 6 DC H6 . . . . . 5 DG H1' . . c18199_2loa 7 35 1 . . 1 1 5 5 DC H6 H . . . 1 1 5 5 DC H2'' H . . . . . . . 3.89 . . . . . A . 6 DC H6 . . A . 6 DC H2'' . . . 6 DC H6 . . . . . 6 DC H2'' . . c18199_2loa 7 36 1 . . 1 1 5 5 DC H2' H . . . 1 1 5 5 DC H3' H . . . . . . . 4.03 . . . . . A . 6 DC H2' . . A . 6 DC H3' . . . 6 DC H2' . . . . . 6 DC H3' . . c18199_2loa 7 37 1 . . 1 1 5 5 DC H2'' H . . . 1 1 5 5 DC H3' H . . . . . . . 4.07 . . . . . A . 6 DC H2'' . . A . 6 DC H3' . . . 6 DC H2'' . . . . . 6 DC H3' . . c18199_2loa 7 38 1 . . 1 1 5 5 DC H5 H . . . 1 1 4 4 DG H2'' H . . . . . . . 4.31 . . . . . A . 6 DC H5 . . A . 5 DG H2'' . . . 6 DC H5 . . . . . 5 DG H2'' . . c18199_2loa 7 39 1 . . 1 1 5 5 DC H5 H . . . 1 1 4 4 DG H2' H . . . . . . . 5.50 . . . . . A . 6 DC H5 . . A . 5 DG H2' . . . 6 DC H5 . . . . . 5 DG H2' . . c18199_2loa 7 40 1 . . 1 1 7 7 DG H2' H . . . 1 1 7 7 DG H1' H . . . . . . . 3.57 . . . . . A . 8 DG H2' . . A . 8 DG H1' . . . 8 DG H2' . . . . . 8 DG H1' . . c18199_2loa 7 41 1 . . 1 1 7 7 DG H1' H . . . 1 1 7 7 DG H2'' H . . . . . . . 3.71 . . . . . A . 8 DG H1' . . A . 8 DG H2'' . . . 8 DG H1' . . . . . 8 DG H2'' . . c18199_2loa 7 42 1 . . 1 1 7 7 DG H2'' H . . . 1 1 7 7 DG H3' H . . . . . . . 3.80 . . . . . A . 8 DG H2'' . . A . 8 DG H3' . . . 8 DG H2'' . . . . . 8 DG H3' . . c18199_2loa 7 43 1 . . 1 1 7 7 DG H2' H . . . 1 1 7 7 DG H3' H . . . . . . . 4.13 . . . . . A . 8 DG H2' . . A . 8 DG H3' . . . 8 DG H2' . . . . . 8 DG H3' . . c18199_2loa 7 44 1 . . 1 1 8 8 DT H6 H . . . 1 1 8 8 DT H2'' H . . . . . . . 4.50 . . . . . A . 9 DT H6 . . A . 9 DT H2'' . . . 9 DT H6 . . . . . 9 DT H2'' . . c18199_2loa 7 45 1 . . 1 1 8 8 DT H6 H . . . 1 1 8 8 DT H2' H . . . . . . . 3.70 . . . . . A . 9 DT H6 . . A . 9 DT H2' . . . 9 DT H6 . . . . . 9 DT H2' . . c18199_2loa 7 46 1 . . 1 1 8 8 DT H2' H . . . 1 1 8 8 DT H3' H . . . . . . . 3.72 . . . . . A . 9 DT H2' . . A . 9 DT H3' . . . 9 DT H2' . . . . . 9 DT H3' . . c18199_2loa 7 47 1 . . 1 1 8 8 DT M7 H . . . 1 1 8 8 DT H6 H . . . . . . . 3.73 . . . . . A . 9 DT M7 . . A . 9 DT H6 . . . 9 DT H71 . . . . . 9 DT H6 . . c18199_2loa 7 48 1 . . 1 1 8 8 DT H1' H . . . 1 1 8 8 DT H2'' H . . . . . . . 3.88 . . . . . A . 9 DT H1' . . A . 9 DT H2'' . . . 9 DT H1' . . . . . 9 DT H2'' . . c18199_2loa 7 49 1 . . 1 1 8 8 DT H1' H . . . 1 1 8 8 DT H2' H . . . . . . . 3.75 . . . . . A . 9 DT H1' . . A . 9 DT H2' . . . 9 DT H1' . . . . . 9 DT H2' . . c18199_2loa 7 50 1 . . 1 1 8 8 DT H2'' H . . . 1 1 8 8 DT H3' H . . . . . . . 4.48 . . . . . A . 9 DT H2'' . . A . 9 DT H3' . . . 9 DT H2'' . . . . . 9 DT H3' . . c18199_2loa 7 51 1 . . 1 1 8 8 DT M7 H . . . 1 1 8 8 DT H1' H . . . . . . . 5.00 . . . . . A . 9 DT M7 . . A . 9 DT H1' . . . 9 DT H71 . . . . . 9 DT H1' . . c18199_2loa 7 52 1 . . 1 1 8 8 DT H5' H . . . 1 1 8 8 DT H3' H . . . . . . . 5.50 . . . . . A . 9 DT H5' . . A . 9 DT H3' . . . 9 DT H5' . . . . . 9 DT H3' . . c18199_2loa 7 53 1 . . 1 1 9 9 DG H8 H . . . 1 1 8 8 DT H2'' H . . . . . . . 4.21 . . . . . A . 10 DG H8 . . A . 9 DT H2'' . . . 10 DG H8 . . . . . 9 DT H2'' . . c18199_2loa 7 54 1 . . 1 1 9 9 DG H1' H . . . 1 1 9 9 DG H2'' H . . . . . . . 3.38 . . . . . A . 10 DG H1' . . A . 10 DG H2'' . . . 10 DG H1' . . . . . 10 DG H2'' . . c18199_2loa 7 55 1 . . 1 1 9 9 DG H1' H . . . 1 1 9 9 DG H2' H . . . . . . . 3.60 . . . . . A . 10 DG H1' . . A . 10 DG H2' . . . 10 DG H1' . . . . . 10 DG H2' . . c18199_2loa 7 56 1 . . 1 1 9 9 DG H2'' H . . . 1 1 9 9 DG H3' H . . . . . . . 3.90 . . . . . A . 10 DG H2'' . . A . 10 DG H3' . . . 10 DG H2'' . . . . . 10 DG H3' . . c18199_2loa 7 57 1 . . 1 1 9 9 DG H2' H . . . 1 1 9 9 DG H3' H . . . . . . . 4.06 . . . . . A . 10 DG H2' . . A . 10 DG H3' . . . 10 DG H2' . . . . . 10 DG H3' . . c18199_2loa 7 58 1 . . 1 1 9 9 DG H1' H . . . 1 1 10 10 DC H6 H . . . . . . . 5.50 . . . . . A . 10 DG H1' . . A . 11 DC H6 . . . 10 DG H1' . . . . . 11 DC H6 . . c18199_2loa 7 59 1 . . 1 1 10 10 DC H2'' H . . . 1 1 10 10 DC H1' H . . . . . . . 3.70 . . . . . A . 11 DC H2'' . . A . 11 DC H1' . . . 11 DC H2'' . . . . . 11 DC H1' . . c18199_2loa 7 60 1 . . 1 1 10 10 DC H6 H . . . 1 1 10 10 DC H2'' H . . . . . . . 3.81 . . . . . A . 11 DC H6 . . A . 11 DC H2'' . . . 11 DC H6 . . . . . 11 DC H2'' . . c18199_2loa 7 61 1 . . 1 1 10 10 DC H3' H . . . 1 1 10 10 DC H2' H . . . . . . . 3.85 . . . . . A . 11 DC H3' . . A . 11 DC H2' . . . 11 DC H3' . . . . . 11 DC H2' . . c18199_2loa 7 62 1 . . 1 1 10 10 DC H2'' H . . . 1 1 10 10 DC H3' H . . . . . . . 3.93 . . . . . A . 11 DC H2'' . . A . 11 DC H3' . . . 11 DC H2'' . . . . . 11 DC H3' . . c18199_2loa 7 63 1 . . 1 1 10 10 DC H1' H . . . 1 1 10 10 DC H2' H . . . . . . . 4.12 . . . . . A . 11 DC H1' . . A . 11 DC H2' . . . 11 DC H1' . . . . . 11 DC H2' . . c18199_2loa 7 64 1 . . 1 1 9 9 DG H2' H . . . 1 1 10 10 DC H6 H . . . . . . . 5.50 . . . . . A . 10 DG H2' . . A . 11 DC H6 . . . 10 DG H2' . . . . . 11 DC H6 . . c18199_2loa 7 65 1 . . 1 1 9 9 DG H2'' H . . . 1 1 10 10 DC H6 H . . . . . . . 5.50 . . . . . A . 10 DG H2'' . . A . 11 DC H6 . . . 10 DG H2'' . . . . . 11 DC H6 . . c18199_2loa 7 66 1 . . 1 1 10 10 DC H6 H . . . 1 1 10 10 DC H2' H . . . . . . . 5.50 . . . . . A . 11 DC H6 . . A . 11 DC H2' . . . 11 DC H6 . . . . . 11 DC H2' . . c18199_2loa 7 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 8 53 1 ; Not handling restraint 53, item 1, resonance(s) ' .9.H5"' (nmrStar names) not linked ; c18199_2loa 7 stop_ save_ save_DYANA/DIANA_distance_constraints_6 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_6 _Gen_dist_constraint_list.Entry_ID c18199_2loa _Gen_dist_constraint_list.ID 4 _Gen_dist_constraint_list.Constraint_type 'hydrogen bond' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 6 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c18199_2loa 8 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 1 1 DG H21 H . . . 1 1 10 10 DC O2 O . . . . . . . 1.8 . . . . . A . 2 DG H21 . . A . 11 DC O2 . . . 2 DG H21 . . . . . 11 DC O2 . . c18199_2loa 8 2 1 . . 1 1 10 10 DC O2 O . . . 1 1 1 1 DG N2 N . . . . . . . 2.7 . . . . . A . 11 DC O2 . . A . 2 DG N2 . . . 11 DC O2 . . . . . 2 DG N2 . . c18199_2loa 8 3 1 . . 1 1 1 1 DG H1 H . . . 1 1 10 10 DC N3 N . . . . . . . 1.8 . . . . . A . 2 DG H1 . . A . 11 DC N3 . . . 2 DG H1 . . . . . 11 DC N3 . . c18199_2loa 8 4 1 . . 1 1 1 1 DG N1 N . . . 1 1 10 10 DC N3 N . . . . . . . 2.7 . . . . . A . 2 DG N1 . . A . 11 DC N3 . . . 2 DG N1 . . . . . 11 DC N3 . . c18199_2loa 8 5 1 . . 1 1 1 1 DG O6 O . . . 1 1 10 10 DC H41 H . . . . . . . 1.8 . . . . . A . 2 DG O6 . . A . 11 DC H41 . . . 2 DG O6 . . . . . 11 DC H41 . . c18199_2loa 8 6 1 . . 1 1 1 1 DG O6 O . . . 1 1 10 10 DC N4 N . . . . . . . 2.7 . . . . . A . 2 DG O6 . . A . 11 DC N4 . . . 2 DG O6 . . . . . 11 DC N4 . . c18199_2loa 8 7 1 . . 1 1 1 1 DG C1' C . . . 1 1 10 10 DC C1' C . . . . . . . 10.6 . . . . . A . 2 DG C1' . . A . 11 DC C1' . . . 2 DG C1' . . . . . 11 DC C1' . . c18199_2loa 8 8 1 . . 1 1 2 2 DC O2 O . . . 1 1 9 9 DG H21 H . . . . . . . 1.8 . . . . . A . 3 DC O2 . . A . 10 DG H21 . . . 3 DC O2 . . . . . 10 DG H21 . . c18199_2loa 8 9 1 . . 1 1 2 2 DC O2 O . . . 1 1 9 9 DG N2 N . . . . . . . 2.7 . . . . . A . 3 DC O2 . . A . 10 DG N2 . . . 3 DC O2 . . . . . 10 DG N2 . . c18199_2loa 8 10 1 . . 1 1 2 2 DC N3 N . . . 1 1 9 9 DG H1 H . . . . . . . 1.8 . . . . . A . 3 DC N3 . . A . 10 DG H1 . . . 3 DC N3 . . . . . 10 DG H1 . . c18199_2loa 8 11 1 . . 1 1 9 9 DG N1 N . . . 1 1 2 2 DC N3 N . . . . . . . 2.7 . . . . . A . 10 DG N1 . . A . 3 DC N3 . . . 10 DG N1 . . . . . 3 DC N3 . . c18199_2loa 8 12 1 . . 1 1 2 2 DC H41 H . . . 1 1 9 9 DG O6 O . . . . . . . 1.8 . . . . . A . 3 DC H41 . . A . 10 DG O6 . . . 3 DC H41 . . . . . 10 DG O6 . . c18199_2loa 8 13 1 . . 1 1 9 9 DG O6 O . . . 1 1 2 2 DC N4 N . . . . . . . 2.7 . . . . . A . 10 DG O6 . . A . 3 DC N4 . . . 10 DG O6 . . . . . 3 DC N4 . . c18199_2loa 8 14 1 . . 1 1 2 2 DC C1' C . . . 1 1 9 9 DG C1' C . . . . . . . 10.6 . . . . . A . 3 DC C1' . . A . 10 DG C1' . . . 3 DC C1' . . . . . 10 DG C1' . . c18199_2loa 8 15 1 . . 1 1 3 3 DC O2 O . . . 1 1 7 7 DG H21 H . . . . . . . 1.8 . . . . . A . 4 DC O2 . . A . 8 DG H21 . . . 4 DC O2 . . . . . 8 DG H21 . . c18199_2loa 8 16 1 . . 1 1 3 3 DC O2 O . . . 1 1 7 7 DG N2 N . . . . . . . 2.7 . . . . . A . 4 DC O2 . . A . 8 DG N2 . . . 4 DC O2 . . . . . 8 DG N2 . . c18199_2loa 8 17 1 . . 1 1 3 3 DC N3 N . . . 1 1 7 7 DG H1 H . . . . . . . 1.8 . . . . . A . 4 DC N3 . . A . 8 DG H1 . . . 4 DC N3 . . . . . 8 DG H1 . . c18199_2loa 8 18 1 . . 1 1 3 3 DC N3 N . . . 1 1 7 7 DG N1 N . . . . . . . 2.7 . . . . . A . 4 DC N3 . . A . 8 DG N1 . . . 4 DC N3 . . . . . 8 DG N1 . . c18199_2loa 8 19 1 . . 1 1 3 3 DC H41 H . . . 1 1 7 7 DG O6 O . . . . . . . 1.8 . . . . . A . 4 DC H41 . . A . 8 DG O6 . . . 4 DC H41 . . . . . 8 DG O6 . . c18199_2loa 8 20 1 . . 1 1 7 7 DG O6 O . . . 1 1 3 3 DC N4 N . . . . . . . 2.7 . . . . . A . 8 DG O6 . . A . 4 DC N4 . . . 8 DG O6 . . . . . 4 DC N4 . . c18199_2loa 8 21 1 . . 1 1 3 3 DC C1' C . . . 1 1 7 7 DG C1' C . . . . . . . 10.6 . . . . . A . 4 DC C1' . . A . 8 DG C1' . . . 4 DC C1' . . . . . 8 DG C1' . . c18199_2loa 8 stop_ save_ save_DYANA/DIANA_distance_constraints_9 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_9 _Gen_dist_constraint_list.Entry_ID c18199_2loa _Gen_dist_constraint_list.ID 7 _Gen_dist_constraint_list.Constraint_type 'hydrogen bond' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 9 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c18199_2loa 9 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 1 1 DG H21 H . . . 1 1 10 10 DC O2 O . . . . . . . 2.0 . . . . . A . 2 DG H21 . . A . 11 DC O2 . . . 2 DG H21 . . . . . 11 DC O2 . . c18199_2loa 9 2 1 . . 1 1 10 10 DC O2 O . . . 1 1 1 1 DG N2 N . . . . . . . 3.0 . . . . . A . 11 DC O2 . . A . 2 DG N2 . . . 11 DC O2 . . . . . 2 DG N2 . . c18199_2loa 9 3 1 . . 1 1 1 1 DG H1 H . . . 1 1 10 10 DC N3 N . . . . . . . 2.0 . . . . . A . 2 DG H1 . . A . 11 DC N3 . . . 2 DG H1 . . . . . 11 DC N3 . . c18199_2loa 9 4 1 . . 1 1 1 1 DG N1 N . . . 1 1 10 10 DC N3 N . . . . . . . 3.0 . . . . . A . 2 DG N1 . . A . 11 DC N3 . . . 2 DG N1 . . . . . 11 DC N3 . . c18199_2loa 9 5 1 . . 1 1 1 1 DG O6 O . . . 1 1 10 10 DC H41 H . . . . . . . 2.0 . . . . . A . 2 DG O6 . . A . 11 DC H41 . . . 2 DG O6 . . . . . 11 DC H41 . . c18199_2loa 9 6 1 . . 1 1 1 1 DG O6 O . . . 1 1 10 10 DC N4 N . . . . . . . 3.0 . . . . . A . 2 DG O6 . . A . 11 DC N4 . . . 2 DG O6 . . . . . 11 DC N4 . . c18199_2loa 9 7 1 . . 1 1 1 1 DG C1' C . . . 1 1 10 10 DC C1' C . . . . . . . 10.9 . . . . . A . 2 DG C1' . . A . 11 DC C1' . . . 2 DG C1' . . . . . 11 DC C1' . . c18199_2loa 9 8 1 . . 1 1 2 2 DC O2 O . . . 1 1 9 9 DG H21 H . . . . . . . 2.0 . . . . . A . 3 DC O2 . . A . 10 DG H21 . . . 3 DC O2 . . . . . 10 DG H21 . . c18199_2loa 9 9 1 . . 1 1 2 2 DC O2 O . . . 1 1 9 9 DG N2 N . . . . . . . 3.0 . . . . . A . 3 DC O2 . . A . 10 DG N2 . . . 3 DC O2 . . . . . 10 DG N2 . . c18199_2loa 9 10 1 . . 1 1 2 2 DC N3 N . . . 1 1 9 9 DG H1 H . . . . . . . 2.0 . . . . . A . 3 DC N3 . . A . 10 DG H1 . . . 3 DC N3 . . . . . 10 DG H1 . . c18199_2loa 9 11 1 . . 1 1 9 9 DG N1 N . . . 1 1 2 2 DC N3 N . . . . . . . 3.0 . . . . . A . 10 DG N1 . . A . 3 DC N3 . . . 10 DG N1 . . . . . 3 DC N3 . . c18199_2loa 9 12 1 . . 1 1 2 2 DC H41 H . . . 1 1 9 9 DG O6 O . . . . . . . 2.0 . . . . . A . 3 DC H41 . . A . 10 DG O6 . . . 3 DC H41 . . . . . 10 DG O6 . . c18199_2loa 9 13 1 . . 1 1 9 9 DG O6 O . . . 1 1 2 2 DC N4 N . . . . . . . 3.0 . . . . . A . 10 DG O6 . . A . 3 DC N4 . . . 10 DG O6 . . . . . 3 DC N4 . . c18199_2loa 9 14 1 . . 1 1 2 2 DC C1' C . . . 1 1 9 9 DG C1' C . . . . . . . 10.9 . . . . . A . 3 DC C1' . . A . 10 DG C1' . . . 3 DC C1' . . . . . 10 DG C1' . . c18199_2loa 9 15 1 . . 1 1 3 3 DC O2 O . . . 1 1 7 7 DG H21 H . . . . . . . 2.0 . . . . . A . 4 DC O2 . . A . 8 DG H21 . . . 4 DC O2 . . . . . 8 DG H21 . . c18199_2loa 9 16 1 . . 1 1 3 3 DC O2 O . . . 1 1 7 7 DG N2 N . . . . . . . 3.0 . . . . . A . 4 DC O2 . . A . 8 DG N2 . . . 4 DC O2 . . . . . 8 DG N2 . . c18199_2loa 9 17 1 . . 1 1 3 3 DC N3 N . . . 1 1 7 7 DG H1 H . . . . . . . 2.0 . . . . . A . 4 DC N3 . . A . 8 DG H1 . . . 4 DC N3 . . . . . 8 DG H1 . . c18199_2loa 9 18 1 . . 1 1 3 3 DC N3 N . . . 1 1 7 7 DG N1 N . . . . . . . 3.0 . . . . . A . 4 DC N3 . . A . 8 DG N1 . . . 4 DC N3 . . . . . 8 DG N1 . . c18199_2loa 9 19 1 . . 1 1 3 3 DC H41 H . . . 1 1 7 7 DG O6 O . . . . . . . 2.0 . . . . . A . 4 DC H41 . . A . 8 DG O6 . . . 4 DC H41 . . . . . 8 DG O6 . . c18199_2loa 9 20 1 . . 1 1 7 7 DG O6 O . . . 1 1 3 3 DC N4 N . . . . . . . 3.0 . . . . . A . 8 DG O6 . . A . 4 DC N4 . . . 8 DG O6 . . . . . 4 DC N4 . . c18199_2loa 9 stop_ loop_ _Gen_dist_constraint_parse_err.ID _Gen_dist_constraint_parse_err.Content _Gen_dist_constraint_parse_err.Begin_line _Gen_dist_constraint_parse_err.Begin_column _Gen_dist_constraint_parse_err.End_line _Gen_dist_constraint_parse_err.End_column _Gen_dist_constraint_parse_err.Entry_ID _Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID 1 "4 DC C1' 8 DG C1' 10.90 5 DG N9 7 DA N9 8.0" 21 3 21 64 c18199_2loa 9 stop_ save_ save_DYANA/DIANA_distance_constraints_13 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_13 _Gen_dist_constraint_list.Entry_ID c18199_2loa _Gen_dist_constraint_list.ID 11 _Gen_dist_constraint_list.Constraint_type 'hydrogen bond' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 13 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c18199_2loa 10 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 1 1 DG H21 H . . . 1 1 10 10 DC O2 O . . . . . . . 1.8 . . . . . A . 2 DG H21 . . A . 11 DC O2 . . . 2 DG H21 . . . . . 11 DC O2 . . c18199_2loa 10 2 1 . . 1 1 10 10 DC O2 O . . . 1 1 1 1 DG N2 N . . . . . . . 2.7 . . . . . A . 11 DC O2 . . A . 2 DG N2 . . . 11 DC O2 . . . . . 2 DG N2 . . c18199_2loa 10 3 1 . . 1 1 1 1 DG H1 H . . . 1 1 10 10 DC N3 N . . . . . . . 1.8 . . . . . A . 2 DG H1 . . A . 11 DC N3 . . . 2 DG H1 . . . . . 11 DC N3 . . c18199_2loa 10 4 1 . . 1 1 1 1 DG N1 N . . . 1 1 10 10 DC N3 N . . . . . . . 2.7 . . . . . A . 2 DG N1 . . A . 11 DC N3 . . . 2 DG N1 . . . . . 11 DC N3 . . c18199_2loa 10 5 1 . . 1 1 1 1 DG O6 O . . . 1 1 10 10 DC H41 H . . . . . . . 1.8 . . . . . A . 2 DG O6 . . A . 11 DC H41 . . . 2 DG O6 . . . . . 11 DC H41 . . c18199_2loa 10 6 1 . . 1 1 1 1 DG O6 O . . . 1 1 10 10 DC N4 N . . . . . . . 2.7 . . . . . A . 2 DG O6 . . A . 11 DC N4 . . . 2 DG O6 . . . . . 11 DC N4 . . c18199_2loa 10 7 1 . . 1 1 1 1 DG C1' C . . . 1 1 10 10 DC C1' C . . . . . . . 10.6 . . . . . A . 2 DG C1' . . A . 11 DC C1' . . . 2 DG C1' . . . . . 11 DC C1' . . c18199_2loa 10 8 1 . . 1 1 2 2 DC O2 O . . . 1 1 9 9 DG H21 H . . . . . . . 1.8 . . . . . A . 3 DC O2 . . A . 10 DG H21 . . . 3 DC O2 . . . . . 10 DG H21 . . c18199_2loa 10 9 1 . . 1 1 2 2 DC O2 O . . . 1 1 9 9 DG N2 N . . . . . . . 2.7 . . . . . A . 3 DC O2 . . A . 10 DG N2 . . . 3 DC O2 . . . . . 10 DG N2 . . c18199_2loa 10 10 1 . . 1 1 2 2 DC N3 N . . . 1 1 9 9 DG H1 H . . . . . . . 1.8 . . . . . A . 3 DC N3 . . A . 10 DG H1 . . . 3 DC N3 . . . . . 10 DG H1 . . c18199_2loa 10 11 1 . . 1 1 9 9 DG N1 N . . . 1 1 2 2 DC N3 N . . . . . . . 2.7 . . . . . A . 10 DG N1 . . A . 3 DC N3 . . . 10 DG N1 . . . . . 3 DC N3 . . c18199_2loa 10 12 1 . . 1 1 2 2 DC H41 H . . . 1 1 9 9 DG O6 O . . . . . . . 1.8 . . . . . A . 3 DC H41 . . A . 10 DG O6 . . . 3 DC H41 . . . . . 10 DG O6 . . c18199_2loa 10 13 1 . . 1 1 9 9 DG O6 O . . . 1 1 2 2 DC N4 N . . . . . . . 2.7 . . . . . A . 10 DG O6 . . A . 3 DC N4 . . . 10 DG O6 . . . . . 3 DC N4 . . c18199_2loa 10 14 1 . . 1 1 2 2 DC C1' C . . . 1 1 9 9 DG C1' C . . . . . . . 10.6 . . . . . A . 3 DC C1' . . A . 10 DG C1' . . . 3 DC C1' . . . . . 10 DG C1' . . c18199_2loa 10 15 1 . . 1 1 3 3 DC O2 O . . . 1 1 7 7 DG H21 H . . . . . . . 1.8 . . . . . A . 4 DC O2 . . A . 8 DG H21 . . . 4 DC O2 . . . . . 8 DG H21 . . c18199_2loa 10 16 1 . . 1 1 3 3 DC O2 O . . . 1 1 7 7 DG N2 N . . . . . . . 2.7 . . . . . A . 4 DC O2 . . A . 8 DG N2 . . . 4 DC O2 . . . . . 8 DG N2 . . c18199_2loa 10 17 1 . . 1 1 3 3 DC N3 N . . . 1 1 7 7 DG H1 H . . . . . . . 1.8 . . . . . A . 4 DC N3 . . A . 8 DG H1 . . . 4 DC N3 . . . . . 8 DG H1 . . c18199_2loa 10 18 1 . . 1 1 3 3 DC N3 N . . . 1 1 7 7 DG N1 N . . . . . . . 2.7 . . . . . A . 4 DC N3 . . A . 8 DG N1 . . . 4 DC N3 . . . . . 8 DG N1 . . c18199_2loa 10 19 1 . . 1 1 3 3 DC H41 H . . . 1 1 7 7 DG O6 O . . . . . . . 1.8 . . . . . A . 4 DC H41 . . A . 8 DG O6 . . . 4 DC H41 . . . . . 8 DG O6 . . c18199_2loa 10 20 1 . . 1 1 7 7 DG O6 O . . . 1 1 3 3 DC N4 N . . . . . . . 2.7 . . . . . A . 8 DG O6 . . A . 4 DC N4 . . . 8 DG O6 . . . . . 4 DC N4 . . c18199_2loa 10 21 1 . . 1 1 3 3 DC C1' C . . . 1 1 7 7 DG C1' C . . . . . . . 10.6 . . . . . A . 4 DC C1' . . A . 8 DG C1' . . . 4 DC C1' . . . . . 8 DG C1' . . c18199_2loa 10 stop_ save_ save_DYANA/DIANA_distance_constraints_10 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_10 _Gen_dist_constraint_list.Entry_ID c18199_2loa _Gen_dist_constraint_list.ID 8 _Gen_dist_constraint_list.Constraint_type 'hydrogen bond' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 10 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c18199_2loa 11 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 4 4 DG N9 N . . . 1 1 6 6 DA N9 N . . . . . . . 8.0 . . . . . A . 5 DG N9 . . A . 7 DA N9 . . . 5 DG N9 . . . . . 7 DA N9 . . c18199_2loa 11 2 1 . . 1 1 4 4 DG C6 C . . . 1 1 6 6 DA N3 N . . . . . . . 9.5 . . . . . A . 5 DG C6 . . A . 7 DA N3 . . . 5 DG C6 . . . . . 7 DA N3 . . c18199_2loa 11 3 1 . . 1 1 4 4 DG H8 H . . . 1 1 5 5 DC H5 H . . . . . . . 3.7 . . . . . A . 5 DG H8 . . A . 6 DC H5 . . . 5 DG H8 . . . . . 6 DC H5 . . c18199_2loa 11 4 1 . . 1 1 4 4 DG H8 H . . . 1 1 3 3 DC H6 H . . . . . . . 4.2 . . . . . A . 5 DG H8 . . A . 4 DC H6 . . . 5 DG H8 . . . . . 4 DC H6 . . c18199_2loa 11 5 1 . . 1 1 7 7 DG H8 H . . . 1 1 6 6 DA H8 H . . . . . . . 4.2 . . . . . A . 8 DG H8 . . A . 7 DA H8 . . . 8 DG H8 . . . . . 7 DA H8 . . c18199_2loa 11 6 1 . . 1 1 4 4 DG H8 H . . . 1 1 5 5 DC H6 H . . . . . . . 4.5 . . . . . A . 5 DG H8 . . A . 6 DC H6 . . . 5 DG H8 . . . . . 6 DC H6 . . c18199_2loa 11 7 1 . . 1 1 4 4 DG C1' C . . . 1 1 6 6 DA C1' C . . . . . . . 9.0 . . . . . A . 5 DG C1' . . A . 7 DA C1' . . . 5 DG C1' . . . . . 7 DA C1' . . c18199_2loa 11 8 1 . . 1 1 9 9 DG H8 H . . . 1 1 7 7 DG H2'' H . . . . . . . 4.0 . . . . . A . 10 DG H8 . . A . 8 DG H2'' . . . 10 DG H8 . . . . . 8 DG H2'' . . c18199_2loa 11 9 1 . . 1 1 7 7 DG C8 C . . . 1 1 8 8 DT H5' H . . . . . . . 6.0 . . . . . A . 8 DG C8 . . A . 9 DT H5' . . . 8 DG C8 . . . . . 9 DT H5' . . c18199_2loa 11 10 1 . . 1 1 7 7 DG H2' H . . . 1 1 8 8 DT H6 H . . . . . . . 3.0 . . . . . A . 8 DG H2' . . A . 9 DT H6 . . . 8 DG H2' . . . . . 9 DT H6 . . c18199_2loa 11 11 1 . . 1 1 1 1 DG N1 N . . . 1 1 9 9 DG N1 N . . . . . . . 4.0 . . . . . A . 2 DG N1 . . A . 10 DG N1 . . . 2 DG N1 . . . . . 10 DG N1 . . c18199_2loa 11 12 1 . . 1 1 4 4 DG H8 H . . . 1 1 3 3 DC H2'' H . . . . . . . 4.0 . . . . . A . 5 DG H8 . . A . 4 DC H2'' . . . 5 DG H8 . . . . . 4 DC H2'' . . c18199_2loa 11 13 1 . . 1 1 5 5 DC H6 H . . . 1 1 4 4 DG H2' H . . . . . . . 2.5 . . . . . A . 6 DC H6 . . A . 5 DG H2' . . . 6 DC H6 . . . . . 5 DG H2' . . c18199_2loa 11 14 1 . . 1 1 4 4 DG C8 C . . . 1 1 6 6 DA C8 C . . . . . . . 9.0 . . . . . A . 5 DG C8 . . A . 7 DA C8 . . . 5 DG C8 . . . . . 7 DA C8 . . c18199_2loa 11 15 1 . . 1 1 3 3 DC N3 N . . . 1 1 4 4 DG N1 N . . . . . . . 5.0 . . . . . A . 4 DC N3 . . A . 5 DG N1 . . . 4 DC N3 . . . . . 5 DG N1 . . c18199_2loa 11 16 1 . . 1 1 4 4 DG N1 N . . . 1 1 7 7 DG N1 N . . . . . . . 5.0 . . . . . A . 5 DG N1 . . A . 8 DG N1 . . . 5 DG N1 . . . . . 8 DG N1 . . c18199_2loa 11 17 1 . . 1 1 9 9 DG N1 N . . . 1 1 7 7 DG N1 N . . . . . . . 5.0 . . . . . A . 10 DG N1 . . A . 8 DG N1 . . . 10 DG N1 . . . . . 8 DG N1 . . c18199_2loa 11 18 1 . . 1 1 4 4 DG N2 N . . . 1 1 6 6 DA N7 N . . . . . . . 3.0 . . . . . A . 5 DG N2 . . A . 7 DA N7 . . . 5 DG N2 . . . . . 7 DA N7 . . c18199_2loa 11 19 1 . . 1 1 4 4 DG N3 N . . . 1 1 6 6 DA N6 N . . . . . . . 3.0 . . . . . A . 5 DG N3 . . A . 7 DA N6 . . . 5 DG N3 . . . . . 7 DA N6 . . c18199_2loa 11 stop_ save_ save_DYANA/DIANA_dihedral_2 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode DYANA/DIANA_dihedral_2 _Torsion_angle_constraint_list.Entry_ID c18199_2loa _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 2 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . c18199_2loa 1 stop_ loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Atom_type_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Atom_type_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Atom_type_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Atom_type_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.PDB_record_ID_1 _Torsion_angle_constraint.PDB_model_num_1 _Torsion_angle_constraint.PDB_strand_ID_1 _Torsion_angle_constraint.PDB_ins_code_1 _Torsion_angle_constraint.PDB_residue_no_1 _Torsion_angle_constraint.PDB_residue_name_1 _Torsion_angle_constraint.PDB_atom_name_1 _Torsion_angle_constraint.PDB_record_ID_2 _Torsion_angle_constraint.PDB_model_num_2 _Torsion_angle_constraint.PDB_strand_ID_2 _Torsion_angle_constraint.PDB_ins_code_2 _Torsion_angle_constraint.PDB_residue_no_2 _Torsion_angle_constraint.PDB_residue_name_2 _Torsion_angle_constraint.PDB_atom_name_2 _Torsion_angle_constraint.PDB_record_ID_3 _Torsion_angle_constraint.PDB_model_num_3 _Torsion_angle_constraint.PDB_strand_ID_3 _Torsion_angle_constraint.PDB_ins_code_3 _Torsion_angle_constraint.PDB_residue_no_3 _Torsion_angle_constraint.PDB_residue_name_3 _Torsion_angle_constraint.PDB_atom_name_3 _Torsion_angle_constraint.PDB_record_ID_4 _Torsion_angle_constraint.PDB_model_num_4 _Torsion_angle_constraint.PDB_strand_ID_4 _Torsion_angle_constraint.PDB_ins_code_4 _Torsion_angle_constraint.PDB_residue_no_4 _Torsion_angle_constraint.PDB_residue_name_4 _Torsion_angle_constraint.PDB_atom_name_4 _Torsion_angle_constraint.Auth_entity_assembly_ID_1 _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_chain_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_alt_ID_1 _Torsion_angle_constraint.Auth_atom_name_1 _Torsion_angle_constraint.Auth_entity_assembly_ID_2 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_chain_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_alt_ID_2 _Torsion_angle_constraint.Auth_atom_name_2 _Torsion_angle_constraint.Auth_entity_assembly_ID_3 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_chain_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_alt_ID_3 _Torsion_angle_constraint.Auth_atom_name_3 _Torsion_angle_constraint.Auth_entity_assembly_ID_4 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_chain_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Auth_alt_ID_4 _Torsion_angle_constraint.Auth_atom_name_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 BETA . 1 1 1 1 DG P P . . 1 1 1 1 DG O5' O . . 1 1 1 1 DG C5' C . . 1 1 1 1 DG C4' C . -120.0 156.0 . . . A . 2 DG P . . A . 2 DG O5' . . A . 2 DG C5' . . A . 2 DG C4' . . . 2 DG . . . . . . 2 DG . . . . . . 2 DG . . . . . . 2 DG . . . c18199_2loa 1 2 GAMMA . 1 1 1 1 DG O5' O . . 1 1 1 1 DG C5' C . . 1 1 1 1 DG C4' C . . 1 1 1 1 DG C3' C . 18.0 75.0 . . . A . 2 DG O5' . . A . 2 DG C5' . . A . 2 DG C4' . . A . 2 DG C3' . . . 2 DG . . . . . . 2 DG . . . . . . 2 DG . . . . . . 2 DG . . . c18199_2loa 1 3 DELTA . 1 1 1 1 DG C5' C . . 1 1 1 1 DG C4' C . . 1 1 1 1 DG C3' C . . 1 1 1 1 DG O3' O . 119.0 180.0 . . . A . 2 DG C5' . . A . 2 DG C4' . . A . 2 DG C3' . . A . 2 DG O3' . . . 2 DG . . . . . . 2 DG . . . . . . 2 DG . . . . . . 2 DG . . . c18199_2loa 1 4 CHI . 1 1 1 1 DG O4' O . . 1 1 1 1 DG C1' C . . 1 1 1 1 DG N9 N . . 1 1 1 1 DG C4 C . -122.0 -60.0 . . . A . 2 DG O4' . . A . 2 DG C1' . . A . 2 DG N9 . . A . 2 DG C4 . . . 2 DG . . . . . . 2 DG . . . . . . 2 DG . . . . . . 2 DG . . . c18199_2loa 1 5 EPSI . 1 1 1 1 DG C4' C . . 1 1 1 1 DG C3' C . . 1 1 1 1 DG O3' O . . 1 1 2 2 DC P P . -153.0 130.0 . . . A . 2 DG C4' . . A . 2 DG C3' . . A . 2 DG O3' . . A . 3 DC P . . . 2 DG . . . . . . 2 DG . . . . . . 2 DG . . . . . . 2 DG . . . c18199_2loa 1 6 ALPHA . 1 1 1 1 DG O3' O . . 1 1 2 2 DC P P . . 1 1 2 2 DC O5' O . . 1 1 2 2 DC C5' C . -61.0 -21.0 . . . A . 2 DG O3' . . A . 3 DC P . . A . 3 DC O5' . . A . 3 DC C5' . . . 3 DC . . . . . . 3 DC . . . . . . 3 DC . . . . . . 3 DC . . . c18199_2loa 1 7 BETA . 1 1 2 2 DC P P . . 1 1 2 2 DC O5' O . . 1 1 2 2 DC C5' C . . 1 1 2 2 DC C4' C . -120.0 156.0 . . . A . 3 DC P . . A . 3 DC O5' . . A . 3 DC C5' . . A . 3 DC C4' . . . 3 DC . . . . . . 3 DC . . . . . . 3 DC . . . . . . 3 DC . . . c18199_2loa 1 8 GAMMA . 1 1 2 2 DC O5' O . . 1 1 2 2 DC C5' C . . 1 1 2 2 DC C4' C . . 1 1 2 2 DC C3' C . 18.0 75.0 . . . A . 3 DC O5' . . A . 3 DC C5' . . A . 3 DC C4' . . A . 3 DC C3' . . . 3 DC . . . . . . 3 DC . . . . . . 3 DC . . . . . . 3 DC . . . c18199_2loa 1 9 DELTA . 1 1 2 2 DC C5' C . . 1 1 2 2 DC C4' C . . 1 1 2 2 DC C3' C . . 1 1 2 2 DC O3' O . 119.0 180.0 . . . A . 3 DC C5' . . A . 3 DC C4' . . A . 3 DC C3' . . A . 3 DC O3' . . . 3 DC . . . . . . 3 DC . . . . . . 3 DC . . . . . . 3 DC . . . c18199_2loa 1 10 CHI . 1 1 2 2 DC O4' O . . 1 1 2 2 DC C1' C . . 1 1 2 2 DC N1 N . . 1 1 2 2 DC C2 C . -122.0 -60.0 . . . A . 3 DC O4' . . A . 3 DC C1' . . A . 3 DC N1 . . A . 3 DC C2 . . . 3 DC . . . . . . 3 DC . . . . . . 3 DC . . . . . . 3 DC . . . c18199_2loa 1 11 EPSI . 1 1 2 2 DC C4' C . . 1 1 2 2 DC C3' C . . 1 1 2 2 DC O3' O . . 1 1 3 3 DC P P . -153.0 130.0 . . . A . 3 DC C4' . . A . 3 DC C3' . . A . 3 DC O3' . . A . 4 DC P . . . 3 DC . . . . . . 3 DC . . . . . . 3 DC . . . . . . 3 DC . . . c18199_2loa 1 12 ALPHA . 1 1 2 2 DC O3' O . . 1 1 3 3 DC P P . . 1 1 3 3 DC O5' O . . 1 1 3 3 DC C5' C . -61.0 -21.0 . . . A . 3 DC O3' . . A . 4 DC P . . A . 4 DC O5' . . A . 4 DC C5' . . . 4 DC . . . . . . 4 DC . . . . . . 4 DC . . . . . . 4 DC . . . c18199_2loa 1 13 BETA . 1 1 3 3 DC P P . . 1 1 3 3 DC O5' O . . 1 1 3 3 DC C5' C . . 1 1 3 3 DC C4' C . -120.0 156.0 . . . A . 4 DC P . . A . 4 DC O5' . . A . 4 DC C5' . . A . 4 DC C4' . . . 4 DC . . . . . . 4 DC . . . . . . 4 DC . . . . . . 4 DC . . . c18199_2loa 1 14 GAMMA . 1 1 3 3 DC O5' O . . 1 1 3 3 DC C5' C . . 1 1 3 3 DC C4' C . . 1 1 3 3 DC C3' C . 18.0 75.0 . . . A . 4 DC O5' . . A . 4 DC C5' . . A . 4 DC C4' . . A . 4 DC C3' . . . 4 DC . . . . . . 4 DC . . . . . . 4 DC . . . . . . 4 DC . . . c18199_2loa 1 15 DELTA . 1 1 3 3 DC C5' C . . 1 1 3 3 DC C4' C . . 1 1 3 3 DC C3' C . . 1 1 3 3 DC O3' O . 119.0 180.0 . . . A . 4 DC C5' . . A . 4 DC C4' . . A . 4 DC C3' . . A . 4 DC O3' . . . 4 DC . . . . . . 4 DC . . . . . . 4 DC . . . . . . 4 DC . . . c18199_2loa 1 16 CHI . 1 1 3 3 DC O4' O . . 1 1 3 3 DC C1' C . . 1 1 3 3 DC N1 N . . 1 1 3 3 DC C2 C . -122.0 -60.0 . . . A . 4 DC O4' . . A . 4 DC C1' . . A . 4 DC N1 . . A . 4 DC C2 . . . 4 DC . . . . . . 4 DC . . . . . . 4 DC . . . . . . 4 DC . . . c18199_2loa 1 17 EPSI . 1 1 3 3 DC C4' C . . 1 1 3 3 DC C3' C . . 1 1 3 3 DC O3' O . . 1 1 4 4 DG P P . -153.0 130.0 . . . A . 4 DC C4' . . A . 4 DC C3' . . A . 4 DC O3' . . A . 5 DG P . . . 4 DC . . . . . . 4 DC . . . . . . 4 DC . . . . . . 4 DC . . . c18199_2loa 1 18 DELTA . 1 1 5 5 DC C5' C . . 1 1 5 5 DC C4' C . . 1 1 5 5 DC C3' C . . 1 1 5 5 DC O3' O . 100.0 180.0 . . . A . 6 DC C5' . . A . 6 DC C4' . . A . 6 DC C3' . . A . 6 DC O3' . . . 6 DC . . . . . . 6 DC . . . . . . 6 DC . . . . . . 6 DC . . . c18199_2loa 1 19 CHI . 1 1 5 5 DC O4' O . . 1 1 5 5 DC C1' C . . 1 1 5 5 DC N1 N . . 1 1 5 5 DC C2 C . -170.0 -82.0 . . . A . 6 DC O4' . . A . 6 DC C1' . . A . 6 DC N1 . . A . 6 DC C2 . . . 6 DC . . . . . . 6 DC . . . . . . 6 DC . . . . . . 6 DC . . . c18199_2loa 1 20 CHI . 1 1 7 7 DG O4' O . . 1 1 7 7 DG C1' C . . 1 1 7 7 DG N9 N . . 1 1 7 7 DG C4 C . -170.0 -82.0 . . . A . 8 DG O4' . . A . 8 DG C1' . . A . 8 DG N9 . . A . 8 DG C4 . . . 8 DG . . . . . . 8 DG . . . . . . 8 DG . . . . . . 8 DG . . . c18199_2loa 1 21 CHI . 1 1 8 8 DT O4' O . . 1 1 8 8 DT C1' C . . 1 1 8 8 DT N1 N . . 1 1 8 8 DT C2 C . -170.0 -82.0 . . . A . 9 DT O4' . . A . 9 DT C1' . . A . 9 DT N1 . . A . 9 DT C2 . . . 9 DT . . . . . . 9 DT . . . . . . 9 DT . . . . . . 9 DT . . . c18199_2loa 1 22 DELTA . 1 1 9 9 DG C5' C . . 1 1 9 9 DG C4' C . . 1 1 9 9 DG C3' C . . 1 1 9 9 DG O3' O . 100.0 180.0 . . . A . 10 DG C5' . . A . 10 DG C4' . . A . 10 DG C3' . . A . 10 DG O3' . . . 10 DG . . . . . . 10 DG . . . . . . 10 DG . . . . . . 10 DG . . . c18199_2loa 1 23 CHI . 1 1 9 9 DG O4' O . . 1 1 9 9 DG C1' C . . 1 1 9 9 DG N9 N . . 1 1 9 9 DG C4 C . -122.0 -82.0 . . . A . 10 DG O4' . . A . 10 DG C1' . . A . 10 DG N9 . . A . 10 DG C4 . . . 10 DG . . . . . . 10 DG . . . . . . 10 DG . . . . . . 10 DG . . . c18199_2loa 1 24 ALPHA . 1 1 9 9 DG O3' O . . 1 1 10 10 DC P P . . 1 1 10 10 DC O5' O . . 1 1 10 10 DC C5' C . -61.0 -21.0 . . . A . 10 DG O3' . . A . 11 DC P . . A . 11 DC O5' . . A . 11 DC C5' . . . 11 DC . . . . . . 11 DC . . . . . . 11 DC . . . . . . 11 DC . . . c18199_2loa 1 25 BETA . 1 1 10 10 DC P P . . 1 1 10 10 DC O5' O . . 1 1 10 10 DC C5' C . . 1 1 10 10 DC C4' C . -120.0 156.0 . . . A . 11 DC P . . A . 11 DC O5' . . A . 11 DC C5' . . A . 11 DC C4' . . . 11 DC . . . . . . 11 DC . . . . . . 11 DC . . . . . . 11 DC . . . c18199_2loa 1 26 GAMMA . 1 1 10 10 DC O5' O . . 1 1 10 10 DC C5' C . . 1 1 10 10 DC C4' C . . 1 1 10 10 DC C3' C . 18.0 75.0 . . . A . 11 DC O5' . . A . 11 DC C5' . . A . 11 DC C4' . . A . 11 DC C3' . . . 11 DC . . . . . . 11 DC . . . . . . 11 DC . . . . . . 11 DC . . . c18199_2loa 1 27 DELTA . 1 1 10 10 DC C5' C . . 1 1 10 10 DC C4' C . . 1 1 10 10 DC C3' C . . 1 1 10 10 DC O3' O . 119.0 180.0 . . . A . 11 DC C5' . . A . 11 DC C4' . . A . 11 DC C3' . . A . 11 DC O3' . . . 11 DC . . . . . . 11 DC . . . . . . 11 DC . . . . . . 11 DC . . . c18199_2loa 1 28 CHI . 1 1 10 10 DC O4' O . . 1 1 10 10 DC C1' C . . 1 1 10 10 DC N1 N . . 1 1 10 10 DC C2 C . -122.0 -60.0 . . . A . 11 DC O4' . . A . 11 DC C1' . . A . 11 DC N1 . . A . 11 DC C2 . . . 11 DC . . . . . . 11 DC . . . . . . 11 DC . . . . . . 11 DC . . . c18199_2loa 1 stop_ loop_ _TA_constraint_parse_err.ID _TA_constraint_parse_err.Content _TA_constraint_parse_err.Begin_line _TA_constraint_parse_err.Begin_column _TA_constraint_parse_err.End_line _TA_constraint_parse_err.End_column _TA_constraint_parse_err.Entry_ID _TA_constraint_parse_err.Torsion_angle_constraint_list_ID 1 "DG H2' 12 C4Q H8 3.5" 30 40 30 83 c18199_2loa 1 stop_ loop_ _TA_constraint_conv_err.ID _TA_constraint_conv_err.Parse_file_ID _TA_constraint_conv_err.Parse_file_constraint_ID _TA_constraint_conv_err.Conv_error_type _TA_constraint_conv_err.Conv_error_note _TA_constraint_conv_err.Entry_ID _TA_constraint_conv_err.Torsion_angle_constraint_list_ID 1 2 1 1 "Not handling restraint 1, resonance(s) ' .1.O3'' (nmrStar names) not linked" c18199_2loa 1 2 2 30 1 "Not handling restraint 30, resonance(s) ' .12.P' (nmrStar names) not linked" c18199_2loa 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_framecode MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID c18199_2loa _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment "*HEADER DNA 20-JAN-12 2LOA *TITLE STRUCTURAL BASIS FOR BIFUNCTIONAL ZN(II) MACROCYCLIC COMPLEX *TITLE 2 RECOGNITION OF THYMINE BULGES IN DNA *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: DNA (5'-D(*GP*CP*CP*GP*CP*AP*GP*TP*GP*C)-3'); *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES *KEYWDS THYMINE BULGE, BIFUNCTIONAL ZN(II) MACROCYCLIC COMPLEX, DNA, CYCLEN *EXPDTA SOLUTION NMR *NUMMDL 1 *AUTHOR J.R.MORROW, M.A.FOUNTAIN, I.A.DEL MUNDO, K.E.SITER *REVDAT 1 14-MAR-12 2LOA 0" save_