data_c17887_2lib ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c17887_2lib _Entry.Title ; DNA sequence context conceals alpha anomeric lesion ; _Entry.Version_type original _Entry.Submission_date 2011-08-27 _Entry.Accession_date 2011-08-27 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.20 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'Solution NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Christopher Johnson . N. . c17887_2lib 2 Alexander Spring . M. . c17887_2lib 3 Richard Cunningham . P. . c17887_2lib 4 Markus Germann . W. . c17887_2lib 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' . c17887_2lib stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Alpha anomeric adenosine' . c17887_2lib 'DNA duplex' . c17887_2lib 'Solution NMR' . c17887_2lib 'DNA damage' . c17887_2lib 'Flanking sequence effects' . c17887_2lib 'Structural perturbation' . c17887_2lib 'Structural distortion' . c17887_2lib 'Minor groove distortion' . c17887_2lib 'Endonuclease IV' . c17887_2lib 'Enzyme recognition' . c17887_2lib 'Nucleic acid structure' . c17887_2lib 'Helical axis kink' . c17887_2lib 'Enzyme modulation' . c17887_2lib 'DNA repair' . c17887_2lib 'DNA perturbation' . c17887_2lib stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c17887_2lib stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 171 c17887_2lib '13C chemical shifts' 56 c17887_2lib '31P chemical shifts' 18 c17887_2lib 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 . . 2012-02-14 2011-08-27 update BMRB 'update entry citation' c17887_2lib 1 . . 2012-01-18 2011-08-27 original author 'original release' c17887_2lib stop_ save_ ############### # Citations # ############### save_Johnson_et_al. _Citation.Sf_category citations _Citation.Sf_framecode Johnson_et_al. _Citation.Entry_ID c17887_2lib _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22227386 _Citation.Full_citation . _Citation.Title 'DNA Sequence Context Conceals -Anomeric Lesions.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 416 _Citation.Journal_issue 3 _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 425 _Citation.Page_last 437 _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 Christopher Johnson . N. . c17887_2lib 1 2 Alexander Spring . M. . c17887_2lib 1 3 Sunil Desai . . . c17887_2lib 1 4 Richard Cunningham . P. . c17887_2lib 1 5 Markus Germann . W. . c17887_2lib 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c17887_2lib _Assembly.ID 1 _Assembly.Name 'alpha anomeric lesion' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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_chain_1 1 $DNA_chain_1 A . yes native no no . . . c17887_2lib 1 2 DNA_chain_2 2 $DNA_chain_2 B . yes native no no . . . c17887_2lib 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DNA_chain_1 _Entity.Sf_category entity _Entity.Sf_framecode DNA_chain_1 _Entity.Entry_ID c17887_2lib _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DNA_(5'-D(*GP*TP*CP*CP*ADA*GP*GP*AP*CP*G)-3')_ _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 GTCCXGGACG _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 10 _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 2756.833 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . DG . c17887_2lib 1 2 . DT . c17887_2lib 1 3 . DC . c17887_2lib 1 4 . DC . c17887_2lib 1 5 . A3A . c17887_2lib 1 6 . DG . c17887_2lib 1 7 . DG . c17887_2lib 1 8 . DA . c17887_2lib 1 9 . DC . c17887_2lib 1 10 . DG . c17887_2lib 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 c17887_2lib 1 . DT 2 2 c17887_2lib 1 . DC 3 3 c17887_2lib 1 . DC 4 4 c17887_2lib 1 . A3A 5 5 c17887_2lib 1 . DG 6 6 c17887_2lib 1 . DG 7 7 c17887_2lib 1 . DA 8 8 c17887_2lib 1 . DC 9 9 c17887_2lib 1 . DG 10 10 c17887_2lib 1 stop_ save_ save_DNA_chain_2 _Entity.Sf_category entity _Entity.Sf_framecode DNA_chain_2 _Entity.Entry_ID c17887_2lib _Entity.ID 2 _Entity.BMRB_code . _Entity.Name DNA_(5'-D(*CP*GP*TP*CP*CP*TP*GP*GP*AP*C)-3')_ _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code CGTCCTGGAC _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 10 _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 3021.004 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . DC . c17887_2lib 2 2 . DG . c17887_2lib 2 3 . DT . c17887_2lib 2 4 . DC . c17887_2lib 2 5 . DC . c17887_2lib 2 6 . DT . c17887_2lib 2 7 . DG . c17887_2lib 2 8 . DG . c17887_2lib 2 9 . DA . c17887_2lib 2 10 . DC . c17887_2lib 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . DC 1 1 c17887_2lib 2 . DG 2 2 c17887_2lib 2 . DT 3 3 c17887_2lib 2 . DC 4 4 c17887_2lib 2 . DC 5 5 c17887_2lib 2 . DT 6 6 c17887_2lib 2 . DG 7 7 c17887_2lib 2 . DG 8 8 c17887_2lib 2 . DA 9 9 c17887_2lib 2 . DC 10 10 c17887_2lib 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID c17887_2lib _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_chain_1 . . synthesized . n/a . . . . . . . . . . . . . . . . . . . . . . . . . . . . c17887_2lib 1 2 2 $DNA_chain_2 . . synthesized . n/a . . . . . . . . . . . . . . . . . . . . . . . . . . . . c17887_2lib 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 c17887_2lib _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_chain_1 . 'chemical synthesis' n/a . . . . . . . . . . . . . . . . . . . . . . . . . . . . c17887_2lib 1 2 2 $DNA_chain_2 . 'chemical synthesis' n/a . . . . . . . . . . . . . . . . . . . . . . . . . . . . c17887_2lib 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_A3A _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_A3A _Chem_comp.Entry_ID c17887_2lib _Chem_comp.ID A3A _Chem_comp.Provenance . _Chem_comp.Name 2'DEOXY-ALPHA-ANOMERIC-ADENOSINE-5'-PHOSPHATE _Chem_comp.Type 'DNA LINKING' _Chem_comp.BMRB_code . _Chem_comp.PDB_code A3A _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2004-01-13 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code A _Chem_comp.Three_letter_code A3A _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InCHi_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID DA _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H14 N5 O6 P' _Chem_comp.Formula_weight 331.222 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag yes _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1S0T _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Sep 27 14:34:21 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O SMILES ACDLabs 10.04 c17887_2lib A3A Nc1ncnc2n(cnc12)[C@@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3 SMILES_CANONICAL CACTVS 3.341 c17887_2lib A3A Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3 SMILES CACTVS 3.341 c17887_2lib A3A c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c17887_2lib A3A c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(O)O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 c17887_2lib A3A InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7-/m0/s1 InChI InChI 1.03 c17887_2lib A3A KHWCHTKSEGGWEX-XVMARJQXSA-N InChIKey InChI 1.03 c17887_2lib A3A stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID "2'-deoxy-5'-adenylic acid" 'SYSTEMATIC NAME' ACDLabs 10.04 c17887_2lib A3A '[(2R,3S,5S)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c17887_2lib A3A stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C8A . C8A . . C . . N 0 . . . . yes no . . . . 5.903 . 1.463 . 1.322 . -1.786 -1.140 -2.636 1 . c17887_2lib A3A N9A . N9A . . N . . N 0 . . . . yes no . . . . 5.175 . 1.605 . 0.177 . -1.339 -1.685 -1.458 2 . c17887_2lib A3A C4A . C4A . . C . . N 0 . . . . yes no . . . . 3.859 . 1.627 . 0.567 . -2.447 -1.967 -0.707 3 . c17887_2lib A3A C5A . C5A . . C . . N 0 . . . . yes no . . . . 3.875 . 1.565 . 1.933 . -3.525 -1.572 -1.482 4 . c17887_2lib A3A N7A . N7A . . N . . N 0 . . . . yes no . . . . 5.187 . 1.468 . 2.416 . -3.099 -1.059 -2.681 5 . c17887_2lib A3A N3A . N3A . . N . . N 0 . . . . yes no . . . . 2.766 . 1.690 . -0.240 . -2.484 -2.511 0.519 6 . c17887_2lib A3A C2A . C2A . . C . . N 0 . . . . yes no . . . . 1.634 . 1.668 . 0.464 . -3.762 -2.639 0.940 7 . c17887_2lib A3A N1A . N1A . . N . . N 0 . . . . yes no . . . . 1.483 . 1.626 . 1.788 . -4.906 -2.300 0.298 8 . c17887_2lib A3A C6A . C6A . . C . . N 0 . . . . yes no . . . . 2.598 . 1.586 . 2.535 . -4.792 -1.755 -0.938 9 . c17887_2lib A3A N6A . N6A . . N . . N 0 . . . . no no . . . . 2.427 . 1.540 . 3.844 . -5.942 -1.382 -1.654 10 . c17887_2lib A3A P . P . . P . . N 0 . . . . no no . . . . 8.057 . 3.757 . -5.175 . 4.679 -4.193 -2.336 11 . c17887_2lib A3A OP1 . OP1 . . O . . N 0 . . . . no no . . . . 9.333 . 4.493 . -5.031 . 4.860 -5.343 -3.283 12 . c17887_2lib A3A OP2 . OP2 . . O . . N 0 . . . . no no . . . . 7.855 . 2.863 . -6.335 . 4.448 -4.601 -0.789 13 . c17887_2lib A3A O6' . O6' . . O . . N 0 . . . . no no . . . . 7.821 . 2.885 . -3.832 . 3.427 -3.224 -2.669 14 . c17887_2lib A3A C5' . C5' . . C . . N 0 . . . . no no . . . . 8.362 . 3.272 . -2.582 . 3.188 -2.113 -1.820 15 . c17887_2lib A3A C4' . C4' . . C . . R 0 . . . . no no . . . . 7.924 . 2.396 . -1.411 . 1.967 -1.357 -2.330 16 . c17887_2lib A3A O5' . O5' . . O . . N 0 . . . . no no . . . . 6.695 . 2.912 . -0.970 . 0.831 -2.238 -2.256 17 . c17887_2lib A3A C3' . C3' . . C . . S 0 . . . . no no . . . . 7.754 . 0.916 . -1.767 . 1.620 -0.148 -1.475 18 . c17887_2lib A3A O3' . O3' . . O . . N 0 . . . . no no . . . . 8.171 . 0.100 . -0.697 . 0.890 0.784 -2.268 19 . c17887_2lib A3A C2' . C2' . . C . . N 0 . . . . no no . . . . 6.253 . 0.801 . -1.985 . 0.719 -0.720 -0.404 20 . c17887_2lib A3A C1' . C1' . . C . . S 0 . . . . no no . . . . 5.689 . 1.952 . -1.155 . 0.060 -1.915 -1.087 21 . c17887_2lib A3A O1 . O1 . . O . . N 0 . . . . no no . . . . . . . . . . 5.924 -3.163 -2.267 22 . c17887_2lib A3A H8A . H8A . . H . . N 0 . . . . no no . . . . 6.982 . 1.389 . 1.263 . -1.108 -0.824 -3.417 23 . c17887_2lib A3A H2A . H2A . . H . . N 0 . . . . no no . . . . 0.727 . 1.648 . -0.122 . -3.890 -3.071 1.926 24 . c17887_2lib A3A HN61 . HN61 . . H . . N 0 . . . . no no . . . . 1.477 . 1.491 . 4.212 . -6.416 -2.064 -2.216 25 . c17887_2lib A3A HN62 . HN62 . . H . . N 0 . . . . no no . . . . 3.236 . 1.452 . 4.432 . -6.221 -0.420 -1.671 26 . c17887_2lib A3A H2P . H2P . . H . . N 0 . . . . no no . . . . 7.036 . 2.390 . -6.427 . 5.055 -5.250 -0.373 27 . c17887_2lib A3A H5' . H5' . . H . . N 0 . . . . no no . . . . 8.127 . 4.316 . -2.371 . 3.013 -2.474 -0.803 28 . c17887_2lib A3A H5'' . H5'' . . H . . N 0 . . . . no no . . . . 9.421 . 3.158 . -2.644 . 4.067 -1.464 -1.828 29 . c17887_2lib A3A H4' . H4' . . H . . N 0 . . . . no no . . . . 8.630 . 2.480 . -0.580 . 2.118 -1.093 -3.382 30 . c17887_2lib A3A H3' . H3' . . H . . N 0 . . . . no no . . . . 8.313 . 0.662 . -2.671 . 2.494 0.373 -1.074 31 . c17887_2lib A3A H1 . H1 . . H . . N 0 . . . . no no . . . . 8.065 . -0.817 . -0.917 . 1.209 0.697 -3.183 32 . c17887_2lib A3A H2' . H2' . . H . . N 0 . . . . no no . . . . 6.020 . 0.954 . -3.038 . 1.335 -1.087 0.426 33 . c17887_2lib A3A H2'' . H2'' . . H . . N 0 . . . . no no . . . . 5.873 . -0.161 . -1.652 . -0.002 -0.000 -0.004 34 . c17887_2lib A3A H1' . H1' . . H . . N 0 . . . . no no . . . . 4.910 . 2.435 . -1.700 . 0.033 -2.787 -0.427 35 . c17887_2lib A3A HO1 . HO1 . . H . . N 0 . . . . no no . . . . -0.819 . -0.472 . -0.092 . 6.831 -3.521 -2.166 36 . c17887_2lib A3A stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C8A N9A yes N 1 . c17887_2lib A3A 2 . DOUB C8A N7A yes N 2 . c17887_2lib A3A 3 . SING C8A H8A no N 3 . c17887_2lib A3A 4 . SING N9A C4A yes N 4 . c17887_2lib A3A 5 . SING N9A C1' no N 5 . c17887_2lib A3A 6 . DOUB C4A C5A yes N 6 . c17887_2lib A3A 7 . SING C4A N3A yes N 7 . c17887_2lib A3A 8 . SING C5A N7A yes N 8 . c17887_2lib A3A 9 . SING C5A C6A yes N 9 . c17887_2lib A3A 10 . DOUB N3A C2A yes N 10 . c17887_2lib A3A 11 . SING C2A N1A yes N 11 . c17887_2lib A3A 12 . SING C2A H2A no N 12 . c17887_2lib A3A 13 . DOUB N1A C6A yes N 13 . c17887_2lib A3A 14 . SING C6A N6A no N 14 . c17887_2lib A3A 15 . SING N6A HN61 no N 15 . c17887_2lib A3A 16 . SING N6A HN62 no N 16 . c17887_2lib A3A 17 . DOUB P OP1 no N 17 . c17887_2lib A3A 18 . SING P OP2 no N 18 . c17887_2lib A3A 19 . SING P O6' no N 19 . c17887_2lib A3A 20 . SING P O1 no N 20 . c17887_2lib A3A 21 . SING OP2 H2P no N 21 . c17887_2lib A3A 22 . SING O6' C5' no N 22 . c17887_2lib A3A 23 . SING C5' C4' no N 23 . c17887_2lib A3A 24 . SING C5' H5' no N 24 . c17887_2lib A3A 25 . SING C5' H5'' no N 25 . c17887_2lib A3A 26 . SING C4' O5' no N 26 . c17887_2lib A3A 27 . SING C4' C3' no N 27 . c17887_2lib A3A 28 . SING C4' H4' no N 28 . c17887_2lib A3A 29 . SING O5' C1' no N 29 . c17887_2lib A3A 30 . SING C3' O3' no N 30 . c17887_2lib A3A 31 . SING C3' C2' no N 31 . c17887_2lib A3A 32 . SING C3' H3' no N 32 . c17887_2lib A3A 33 . SING O3' H1 no N 33 . c17887_2lib A3A 34 . SING C2' C1' no N 34 . c17887_2lib A3A 35 . SING C2' H2' no N 35 . c17887_2lib A3A 36 . SING C2' H2'' no N 36 . c17887_2lib A3A 37 . SING C1' H1' no N 37 . c17887_2lib A3A 38 . SING O1 HO1 no N 38 . c17887_2lib A3A stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_water_sample _Sample.Sf_category sample _Sample.Sf_framecode water_sample _Sample.Entry_ID c17887_2lib _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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_chain_1 'natural abundance' . . 1 $DNA_chain_1 . . 0.75 . . mM . . . . c17887_2lib 1 2 DNA_chain_2 'natural abundance' . . 2 $DNA_chain_2 . . 0.75 . . mM . . . . c17887_2lib 1 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . c17887_2lib 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . c17887_2lib 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . c17887_2lib 1 6 DSS 'natural abundance' . . . . . . 0.2 . . uM . . . . c17887_2lib 1 7 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . c17887_2lib 1 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . c17887_2lib 1 stop_ save_ save_D2O_sample _Sample.Sf_category sample _Sample.Sf_framecode D2O_sample _Sample.Entry_ID c17887_2lib _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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_chain_1 'natural abundance' . . 1 $DNA_chain_1 . . 0.75 . . mM . . . . c17887_2lib 2 2 DNA_chain_2 'natural abundance' . . 2 $DNA_chain_2 . . 0.75 . . mM . . . . c17887_2lib 2 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . c17887_2lib 2 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . c17887_2lib 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . c17887_2lib 2 6 DSS 'natural abundance' . . . . . . 0.2 . . uM . . . . c17887_2lib 2 7 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . c17887_2lib 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 c17887_2lib _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 276 . K c17887_2lib 1 pH 6.65 . pH c17887_2lib 1 pressure 1 . atm c17887_2lib 1 'ionic strength' 50 . mM c17887_2lib 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 c17887_2lib _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 298 . K c17887_2lib 2 pH* 7.05 . pH c17887_2lib 2 pressure 1 . atm c17887_2lib 2 'ionic strength' 50 . mM c17887_2lib 2 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID c17887_2lib _Software.ID 1 _Software.Name AMBER _Software.Version 9.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . c17887_2lib 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' c17887_2lib 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID c17887_2lib _Software.ID 2 _Software.Name SPARKY _Software.Version 3.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . c17887_2lib 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' c17887_2lib 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID c17887_2lib _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . c17887_2lib 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' c17887_2lib 3 stop_ save_ save_CORMA _Software.Sf_category software _Software.Sf_framecode CORMA _Software.Entry_ID c17887_2lib _Software.ID 4 _Software.Name CORMA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Thomas James' . . c17887_2lib 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' c17887_2lib 4 stop_ save_ save_MARDGIRAS _Software.Sf_category software _Software.Sf_framecode MARDGIRAS _Software.Entry_ID c17887_2lib _Software.ID 5 _Software.Name MARDGIRAS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Thomas James' . . c17887_2lib 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' c17887_2lib 5 stop_ save_ save_CURVES _Software.Sf_category software _Software.Sf_framecode CURVES _Software.Entry_ID c17887_2lib _Software.ID 6 _Software.Name CURVES _Software.Version 5.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Richard Lavery' . . c17887_2lib 6 'Heinz Sklenar' . . c17887_2lib 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID analysis c17887_2lib 6 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 c17887_2lib _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID c17887_2lib _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 Bruker Avance . 600 . . . c17887_2lib 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 c17887_2lib _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 '1-1 jump return' no . . . . . . . . . . 1 $water_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c17887_2lib 1 2 '1D NOE' no . . . . . . . . . . 1 $water_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c17887_2lib 1 3 '1-1 NOESY 2D 150 ms' no . . . . . . . . . . 1 $water_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c17887_2lib 1 4 'Low Flip COSY' no . . . . . . . . . . 2 $D2O_sample isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c17887_2lib 1 5 TOCYS no . . . . . . . . . . 2 $D2O_sample isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c17887_2lib 1 6 '2D 1H 1H NOESY 75 ms' no . . . . . . . . . . 2 $D2O_sample isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c17887_2lib 1 7 '2D 1H 1H NOESY 125 ms' no . . . . . . . . . . 2 $D2O_sample isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c17887_2lib 1 8 '2D 1H-1H NOESY 250 ms' no . . . . . . . . . . 2 $D2O_sample isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c17887_2lib 1 9 'Constant Time COSY' no . . . . . . . . . . 2 $D2O_sample isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c17887_2lib 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $D2O_sample isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c17887_2lib 1 11 '2D 1H-31P CORR' no . . . . . . . . . . 2 $D2O_sample isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c17887_2lib 1 12 '1D 31P' no . . . . . . . . . . 2 $D2O_sample isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c17887_2lib 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 c17887_2lib _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; 13C referenced indirectly to 1H 31P referenced to 85% H3PO4 in external tube ; 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 DSS protons . . . . ppm 0 internal direct 1.000000000 . . . . . . . . . c17887_2lib 1 C 13 DSS protons . . . . ppm 0 external indirect 0.251449530 . . . . . . . . . c17887_2lib 1 P 31 DSS '85% H3PO4' . . . . ppm 0 external direct 1.000000000 . . . . . . . . . c17887_2lib 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 c17887_2lib _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '1-1 jump return' . . . c17887_2lib 1 5 TOCYS . . . c17887_2lib 1 6 '2D 1H 1H NOESY 75 ms' . . . c17887_2lib 1 7 '2D 1H 1H NOESY 125 ms' . . . c17887_2lib 1 8 '2D 1H-1H NOESY 250 ms' . . . c17887_2lib 1 12 '1D 31P' . . . c17887_2lib 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 1 1 DG H1 H 1 12.923 . . 1 . . . . 1 G H1 . c17887_2lib 1 2 . 1 1 1 1 DG H3' H 1 4.817 0.003 36 1 . . . . 1 G H3' . c17887_2lib 1 3 . 1 1 1 1 DG H4' H 1 4.236 0.002 4 1 . . . . 1 G H4' . c17887_2lib 1 4 . 1 1 1 1 DG H5' H 1 3.839 0.000 4 1 . . . . 1 G H5' . c17887_2lib 1 5 . 1 1 1 1 DG H5'' H 1 3.787 0.000 4 1 . . . . 1 G H5'' . c17887_2lib 1 6 . 1 1 1 1 DG H8 H 1 7.981 0.002 46 1 . . . . 1 G H8 . c17887_2lib 1 7 . 1 1 1 1 DG C1' C 13 86.500 . . 1 . . . . 1 G C1' . c17887_2lib 1 8 . 1 1 1 1 DG C3' C 13 77.600 . . 1 . . . . 1 G C3' . c17887_2lib 1 9 . 1 1 2 2 DT H1' H 1 6.195 0.002 47 1 . . . . 2 T H1' . c17887_2lib 1 10 . 1 1 2 2 DT H2' H 1 2.320 0.002 33 1 . . . . 2 T H2' . c17887_2lib 1 11 . 1 1 2 2 DT H2'' H 1 2.620 0.003 30 1 . . . . 2 T H2'' . c17887_2lib 1 12 . 1 1 2 2 DT H3 H 1 13.957 . . 1 . . . . 2 T H3 . c17887_2lib 1 13 . 1 1 2 2 DT H3' H 1 4.933 0.002 35 1 . . . . 2 T H3' . c17887_2lib 1 14 . 1 1 2 2 DT H4' H 1 4.333 0.002 29 1 . . . . 2 T H4' . c17887_2lib 1 15 . 1 1 2 2 DT H5' H 1 4.176 0.000 4 1 . . . . 2 T H5' . c17887_2lib 1 16 . 1 1 2 2 DT H5'' H 1 4.183 0.000 4 1 . . . . 2 T H5'' . c17887_2lib 1 17 . 1 1 2 2 DT H6 H 1 7.526 0.002 80 1 . . . . 2 T H6 . c17887_2lib 1 18 . 1 1 2 2 DT H71 H 1 1.352 0.002 47 1 . . . . 2 T H7 . c17887_2lib 1 19 . 1 1 2 2 DT H72 H 1 1.352 0.002 47 1 . . . . 2 T H7 . c17887_2lib 1 20 . 1 1 2 2 DT H73 H 1 1.352 0.002 47 1 . . . . 2 T H7 . c17887_2lib 1 21 . 1 1 2 2 DT C1' C 13 86.240 . . 1 . . . . 2 T C1' . c17887_2lib 1 22 . 1 1 2 2 DT C3' C 13 78.780 . . 1 . . . . 2 T C3' . c17887_2lib 1 23 . 1 1 2 2 DT C6 C 13 139.08 . . 1 . . . . 2 T C6 . c17887_2lib 1 24 . 1 1 2 2 DT P P 31 -0.460 . . 1 . . . . 2 T P . c17887_2lib 1 25 . 1 1 3 3 DC H1' H 1 6.036 0.004 26 1 . . . . 3 C H1' . c17887_2lib 1 26 . 1 1 3 3 DC H2' H 1 2.300 0.001 24 1 . . . . 3 C H2' . c17887_2lib 1 27 . 1 1 3 3 DC H2'' H 1 2.578 0.004 24 1 . . . . 3 C H2'' . c17887_2lib 1 28 . 1 1 3 3 DC H3' H 1 4.841 0.003 24 1 . . . . 3 C H3' . c17887_2lib 1 29 . 1 1 3 3 DC H5 H 1 5.682 0.002 28 1 . . . . 3 C H5 . c17887_2lib 1 30 . 1 1 3 3 DC H6 H 1 7.626 0.004 54 1 . . . . 3 C H6 . c17887_2lib 1 31 . 1 1 3 3 DC C1' C 13 86.610 . . 1 . . . . 3 C C1' . c17887_2lib 1 32 . 1 1 3 3 DC C3' C 13 76.700 . . 1 . . . . 3 C C3' . c17887_2lib 1 33 . 1 1 3 3 DC P P 31 -0.245 . . 1 . . . . 3 C P . c17887_2lib 1 34 . 1 1 4 4 DC H1' H 1 6.070 0.003 42 1 . . . . 4 C H1' . c17887_2lib 1 35 . 1 1 4 4 DC H2' H 1 2.415 0.003 36 1 . . . . 4 C H2' . c17887_2lib 1 36 . 1 1 4 4 DC H2'' H 1 2.543 0.006 24 1 . . . . 4 C H2'' . c17887_2lib 1 37 . 1 1 4 4 DC H3' H 1 4.881 0.004 34 1 . . . . 4 C H3' . c17887_2lib 1 38 . 1 1 4 4 DC H4' H 1 4.206 0.001 16 1 . . . . 4 C H4' . c17887_2lib 1 39 . 1 1 4 4 DC H6 H 1 7.606 0.003 56 1 . . . . 4 C H6 . c17887_2lib 1 40 . 1 1 4 4 DC C1' C 13 86.610 . . 1 . . . . 4 C C1' . c17887_2lib 1 41 . 1 1 4 4 DC C3' C 13 76.650 . . 1 . . . . 4 C C3' . c17887_2lib 1 42 . 1 1 4 4 DC P P 31 -0.065 . . 1 . . . . 4 C P . c17887_2lib 1 43 . 1 1 5 5 A3A C1' C 13 88.580 . . 1 . . . . 5 X C1' . c17887_2lib 1 44 . 1 1 5 5 A3A C3' C 13 78.110 . . 1 . . . . 5 X C3' . c17887_2lib 1 45 . 1 1 5 5 A3A C8A C 13 141.36 . . 1 . . . . 5 X C8 . c17887_2lib 1 46 . 1 1 5 5 A3A H1' H 1 5.937 0.002 54 1 . . . . 5 X H1' . c17887_2lib 1 47 . 1 1 5 5 A3A H2' H 1 2.654 0.125 24 1 . . . . 5 X H2' . c17887_2lib 1 48 . 1 1 5 5 A3A H2'' H 1 2.564 0.128 24 1 . . . . 5 X H2'' . c17887_2lib 1 49 . 1 1 5 5 A3A H3' H 1 5.017 0.002 30 1 . . . . 5 X H3' . c17887_2lib 1 50 . 1 1 5 5 A3A H4' H 1 4.949 0.001 11 1 . . . . 5 X H4' . c17887_2lib 1 51 . 1 1 5 5 A3A H5' H 1 4.140 0.000 4 1 . . . . 5 X H5' . c17887_2lib 1 52 . 1 1 5 5 A3A H5'' H 1 4.128 0.000 4 1 . . . . 5 X H5'' . c17887_2lib 1 53 . 1 1 5 5 A3A H8A H 1 7.901 0.002 85 1 . . . . 5 X H8 . c17887_2lib 1 54 . 1 1 5 5 A3A P P 31 0.186 . . 1 . . . . 5 X P . c17887_2lib 1 55 . 1 1 6 6 DG H1 H 1 12.880 . . 1 . . . . 6 G H1 . c17887_2lib 1 56 . 1 1 6 6 DG H1' H 1 5.675 0.003 37 1 . . . . 6 G H1' . c17887_2lib 1 57 . 1 1 6 6 DG H2' H 1 2.350 0.003 31 1 . . . . 6 G H2' . c17887_2lib 1 58 . 1 1 6 6 DG H2'' H 1 2.703 0.003 28 1 . . . . 6 G H2'' . c17887_2lib 1 59 . 1 1 6 6 DG H3' H 1 4.877 0.002 36 1 . . . . 6 G H3' . c17887_2lib 1 60 . 1 1 6 6 DG H4' H 1 4.304 0.002 25 1 . . . . 6 G H4' . c17887_2lib 1 61 . 1 1 6 6 DG H5' H 1 4.091 0.000 8 1 . . . . 6 G H5' . c17887_2lib 1 62 . 1 1 6 6 DG H5'' H 1 4.096 0.000 8 1 . . . . 6 G H5'' . c17887_2lib 1 63 . 1 1 6 6 DG H8 H 1 7.261 0.002 79 1 . . . . 6 G H8 . c17887_2lib 1 64 . 1 1 6 6 DG C1' C 13 85.120 . . 1 . . . . 6 G C1' . c17887_2lib 1 65 . 1 1 6 6 DG C3' C 13 79.720 . . 1 . . . . 6 G C3' . c17887_2lib 1 66 . 1 1 6 6 DG C8 C 13 137.91 . . 1 . . . . 6 G C8 . c17887_2lib 1 67 . 1 1 6 6 DG P P 31 1.123 . . 1 . . . . 6 G P . c17887_2lib 1 68 . 1 1 7 7 DG H1 H 1 12.809 . . 1 . . . . 7 G H1 . c17887_2lib 1 69 . 1 1 7 7 DG H1' H 1 5.544 0.008 36 1 . . . . 7 G H1' . c17887_2lib 1 70 . 1 1 7 7 DG H2' H 1 2.516 0.003 24 1 . . . . 7 G H2' . c17887_2lib 1 71 . 1 1 7 7 DG H2'' H 1 2.691 0.002 24 1 . . . . 7 G H2'' . c17887_2lib 1 72 . 1 1 7 7 DG H3' H 1 4.949 0.002 29 1 . . . . 7 G H3' . c17887_2lib 1 73 . 1 1 7 7 DG H4' H 1 4.322 0.003 25 1 . . . . 7 G H4' . c17887_2lib 1 74 . 1 1 7 7 DG H5' H 1 4.142 0.000 4 1 . . . . 7 G H5' . c17887_2lib 1 75 . 1 1 7 7 DG H5'' H 1 4.109 0.000 4 1 . . . . 7 G H5'' . c17887_2lib 1 76 . 1 1 7 7 DG H8 H 1 7.564 0.002 74 1 . . . . 7 G H8 . c17887_2lib 1 77 . 1 1 7 7 DG C1' C 13 83.960 . . 1 . . . . 7 G C1' . c17887_2lib 1 78 . 1 1 7 7 DG C3' C 13 78.400 . . 1 . . . . 7 G C3' . c17887_2lib 1 79 . 1 1 7 7 DG C8 C 13 137.39 . . 1 . . . . 7 G C8 . c17887_2lib 1 80 . 1 1 7 7 DG P P 31 -0.440 . . 1 . . . . 7 G P . c17887_2lib 1 81 . 1 1 8 8 DA H1' H 1 6.217 0.002 62 1 . . . . 8 A H1' . c17887_2lib 1 82 . 1 1 8 8 DA H2 H 1 7.932 0.002 20 1 . . . . 8 A H2 . c17887_2lib 1 83 . 1 1 8 8 DA H2' H 1 2.605 0.003 39 1 . . . . 8 A H2' . c17887_2lib 1 84 . 1 1 8 8 DA H2'' H 1 2.864 0.002 39 1 . . . . 8 A H2'' . c17887_2lib 1 85 . 1 1 8 8 DA H3' H 1 5.017 0.002 36 1 . . . . 8 A H3' . c17887_2lib 1 86 . 1 1 8 8 DA H4' H 1 4.447 0.002 30 1 . . . . 8 A H4' . c17887_2lib 1 87 . 1 1 8 8 DA H5' H 1 4.201 0.000 4 1 . . . . 8 A H5' . c17887_2lib 1 88 . 1 1 8 8 DA H5'' H 1 4.168 0.000 4 1 . . . . 8 A H5'' . c17887_2lib 1 89 . 1 1 8 8 DA H8 H 1 8.144 0.002 86 1 . . . . 8 A H8 . c17887_2lib 1 90 . 1 1 8 8 DA C1' C 13 85.120 . . 1 . . . . 8 A C1' . c17887_2lib 1 91 . 1 1 8 8 DA C3' C 13 78.110 . . 1 . . . . 8 A C3' . c17887_2lib 1 92 . 1 1 8 8 DA C8 C 13 140.97 . . 1 . . . . 8 A C8 . c17887_2lib 1 93 . 1 1 8 8 DA P P 31 -0.242 . . 1 . . . . 8 A P . c17887_2lib 1 94 . 1 1 9 9 DC H1' H 1 5.668 0.002 48 1 . . . . 9 C H1' . c17887_2lib 1 95 . 1 1 9 9 DC H2' H 1 1.854 0.002 39 1 . . . . 9 C H2' . c17887_2lib 1 96 . 1 1 9 9 DC H2'' H 1 2.283 0.003 21 1 . . . . 9 C H2'' . c17887_2lib 1 97 . 1 1 9 9 DC H3' H 1 4.797 0.002 27 1 . . . . 9 C H3' . c17887_2lib 1 98 . 1 1 9 9 DC H4' H 1 4.120 0.002 27 1 . . . . 9 C H4' . c17887_2lib 1 99 . 1 1 9 9 DC H5 H 1 5.269 0.002 38 1 . . . . 9 C H5 . c17887_2lib 1 100 . 1 1 9 9 DC H5' H 1 4.225 0.000 4 1 . . . . 9 C H5' . c17887_2lib 1 101 . 1 1 9 9 DC H5'' H 1 4.218 0.000 4 1 . . . . 9 C H5'' . c17887_2lib 1 102 . 1 1 9 9 DC H6 H 1 7.220 0.002 82 1 . . . . 9 C H6 . c17887_2lib 1 103 . 1 1 9 9 DC C1' C 13 85.530 . . 1 . . . . 9 C C1' . c17887_2lib 1 104 . 1 1 9 9 DC C3' C 13 76.050 . . 1 . . . . 9 C C3' . c17887_2lib 1 105 . 1 1 9 9 DC C6 C 13 142.29 . . 1 . . . . 9 C C6 . c17887_2lib 1 106 . 1 1 9 9 DC P P 31 -0.334 . . 1 . . . . 9 C P . c17887_2lib 1 107 . 1 1 10 10 DG H1 H 1 13.076 . . 1 . . . . 10 G H1 . c17887_2lib 1 108 . 1 1 10 10 DG H1' H 1 6.153 0.002 32 1 . . . . 10 G H1' . c17887_2lib 1 109 . 1 1 10 10 DG H2' H 1 2.582 0.002 21 1 . . . . 10 G H2' . c17887_2lib 1 110 . 1 1 10 10 DG H2'' H 1 2.360 0.002 21 1 . . . . 10 G H2'' . c17887_2lib 1 111 . 1 1 10 10 DG H3' H 1 4.655 0.002 30 1 . . . . 10 G H3' . c17887_2lib 1 112 . 1 1 10 10 DG H4' H 1 4.175 0.002 20 1 . . . . 10 G H4' . c17887_2lib 1 113 . 1 1 10 10 DG H5' H 1 4.125 0.000 4 1 . . . . 10 G H5' . c17887_2lib 1 114 . 1 1 10 10 DG H5'' H 1 4.084 0.000 4 1 . . . . 10 G H5'' . c17887_2lib 1 115 . 1 1 10 10 DG H8 H 1 7.888 0.003 70 1 . . . . 10 G H8 . c17887_2lib 1 116 . 1 1 10 10 DG C1' C 13 84.860 . . 1 . . . . 10 G C1' . c17887_2lib 1 117 . 1 1 10 10 DG C3' C 13 73.400 . . 1 . . . . 10 G C3' . c17887_2lib 1 118 . 1 1 10 10 DG C8 C 13 139.21 . . 1 . . . . 10 G C8 . c17887_2lib 1 119 . 2 2 1 1 DC H1' H 1 5.795 0.002 38 1 . . . B 11 DC H1' . c17887_2lib 1 120 . 2 2 1 1 DC H2' H 1 2.074 0.002 28 1 . . . B 11 DC H2' . c17887_2lib 1 121 . 2 2 1 1 DC H2'' H 1 2.463 0.002 27 1 . . . B 11 DC H2'' . c17887_2lib 1 122 . 2 2 1 1 DC H3' H 1 4.716 0.002 35 1 . . . B 11 DC H3' . c17887_2lib 1 123 . 2 2 1 1 DC H4' H 1 4.080 0.002 9 1 . . . B 11 DC H4' . c17887_2lib 1 124 . 2 2 1 1 DC H5 H 1 5.917 0.004 11 1 . . . B 11 DC H5 . c17887_2lib 1 125 . 2 2 1 1 DC H6 H 1 7.668 0.003 32 1 . . . B 11 DC H6 . c17887_2lib 1 126 . 2 2 1 1 DC C1' C 13 88.010 . . 1 . . . B 11 DC C1' . c17887_2lib 1 127 . 2 2 1 1 DC C3' C 13 77.750 . . 1 . . . B 11 DC C3' . c17887_2lib 1 128 . 2 2 1 1 DC C6 C 13 143.29 . . 1 . . . B 11 DC C6 . c17887_2lib 1 129 . 2 2 1 1 DC P P 31 -0.027 . . 1 . . . B 11 DC P . c17887_2lib 1 130 . 2 2 2 2 DG H1 H 1 12.923 . . 1 . . . B 12 DG H1 . c17887_2lib 1 131 . 2 2 2 2 DG H1' H 1 6.045 0.007 41 1 . . . B 12 DG H1' . c17887_2lib 1 132 . 2 2 2 2 DG H2' H 1 2.717 0.004 38 1 . . . B 12 DG H2' . c17887_2lib 1 133 . 2 2 2 2 DG H2'' H 1 2.849 0.003 38 1 . . . B 12 DG H2'' . c17887_2lib 1 134 . 2 2 2 2 DG H3' H 1 4.994 0.003 40 1 . . . B 12 DG H3' . c17887_2lib 1 135 . 2 2 2 2 DG H4' H 1 4.395 0.003 29 1 . . . B 12 DG H4' . c17887_2lib 1 136 . 2 2 2 2 DG H5' H 1 4.039 0.000 4 1 . . . B 12 DG H5' . c17887_2lib 1 137 . 2 2 2 2 DG H5'' H 1 4.124 0.000 4 1 . . . B 12 DG H5'' . c17887_2lib 1 138 . 2 2 2 2 DG H8 H 1 8.004 0.003 77 1 . . . B 12 DG H8 . c17887_2lib 1 139 . 2 2 2 2 DG C1' C 13 84.690 . . 1 . . . B 12 DG C1' . c17887_2lib 1 140 . 2 2 2 2 DG C3' C 13 79.720 . . 1 . . . B 12 DG C3' . c17887_2lib 1 141 . 2 2 2 2 DG C8 C 13 138.42 . . 1 . . . B 12 DG C8 . c17887_2lib 1 142 . 2 2 2 2 DG P P 31 -0.510 . . 1 . . . B 12 DG P . c17887_2lib 1 143 . 2 2 3 3 DT H1' H 1 6.096 0.003 42 1 . . . B 13 DT H1' . c17887_2lib 1 144 . 2 2 3 3 DT H2' H 1 2.242 0.004 36 1 . . . B 13 DT H2' . c17887_2lib 1 145 . 2 2 3 3 DT H2'' H 1 2.578 0.002 31 1 . . . B 13 DT H2'' . c17887_2lib 1 146 . 2 2 3 3 DT H3 H 1 13.758 . . 1 . . . B 13 DT H3 . c17887_2lib 1 147 . 2 2 3 3 DT H3' H 1 4.901 0.002 33 1 . . . B 13 DT H3' . c17887_2lib 1 148 . 2 2 3 3 DT H4' H 1 4.281 0.003 27 1 . . . B 13 DT H4' . c17887_2lib 1 149 . 2 2 3 3 DT H5' H 1 4.249 0.000 4 1 . . . B 13 DT H5' . c17887_2lib 1 150 . 2 2 3 3 DT H5'' H 1 4.194 0.000 4 1 . . . B 13 DT H5'' . c17887_2lib 1 151 . 2 2 3 3 DT H6 H 1 7.321 0.003 86 1 . . . B 13 DT H6 . c17887_2lib 1 152 . 2 2 3 3 DT H71 H 1 1.451 0.002 44 1 . . . B 13 DT H7 . c17887_2lib 1 153 . 2 2 3 3 DT H72 H 1 1.451 0.002 44 1 . . . B 13 DT H7 . c17887_2lib 1 154 . 2 2 3 3 DT H73 H 1 1.451 0.002 44 1 . . . B 13 DT H7 . c17887_2lib 1 155 . 2 2 3 3 DT C1' C 13 85.630 . . 1 . . . B 13 DT C1' . c17887_2lib 1 156 . 2 2 3 3 DT C3' C 13 77.780 . . 1 . . . B 13 DT C3' . c17887_2lib 1 157 . 2 2 3 3 DT C6 C 13 142.77 . . 1 . . . B 13 DT C6 . c17887_2lib 1 158 . 2 2 3 3 DT P P 31 -0.878 . . 1 . . . B 13 DT P . c17887_2lib 1 159 . 2 2 4 4 DC H1' H 1 5.952 0.003 43 1 . . . B 14 DC H1' . c17887_2lib 1 160 . 2 2 4 4 DC H2' H 1 2.295 0.002 30 1 . . . B 14 DC H2' . c17887_2lib 1 161 . 2 2 4 4 DC H2'' H 1 2.500 0.003 24 1 . . . B 14 DC H2'' . c17887_2lib 1 162 . 2 2 4 4 DC H3' H 1 4.811 0.002 39 1 . . . B 14 DC H3' . c17887_2lib 1 163 . 2 2 4 4 DC H4' H 1 4.210 0.007 15 1 . . . B 14 DC H4' . c17887_2lib 1 164 . 2 2 4 4 DC H5 H 1 5.682 0.001 11 1 . . . B 14 DC H5 . c17887_2lib 1 165 . 2 2 4 4 DC H5' H 1 4.150 0.000 4 1 . . . B 14 DC H5' . c17887_2lib 1 166 . 2 2 4 4 DC H5'' H 1 4.190 0.000 4 1 . . . B 14 DC H5'' . c17887_2lib 1 167 . 2 2 4 4 DC H6 H 1 7.609 0.003 75 1 . . . B 14 DC H6 . c17887_2lib 1 168 . 2 2 4 4 DC C1' C 13 86.680 . . 1 . . . B 14 DC C1' . c17887_2lib 1 169 . 2 2 4 4 DC C3' C 13 76.420 . . 1 . . . B 14 DC C3' . c17887_2lib 1 170 . 2 2 4 4 DC P P 31 -0.586 . . 1 . . . B 14 DC P . c17887_2lib 1 171 . 2 2 5 5 DC H1' H 1 5.957 0.003 47 1 . . . B 15 DC H1' . c17887_2lib 1 172 . 2 2 5 5 DC H2' H 1 2.145 0.002 40 1 . . . B 15 DC H2' . c17887_2lib 1 173 . 2 2 5 5 DC H2'' H 1 2.587 0.002 26 1 . . . B 15 DC H2'' . c17887_2lib 1 174 . 2 2 5 5 DC H3' H 1 4.758 0.002 22 1 . . . B 15 DC H3' . c17887_2lib 1 175 . 2 2 5 5 DC H4' H 1 4.190 0.003 18 1 . . . B 15 DC H4' . c17887_2lib 1 176 . 2 2 5 5 DC H5 H 1 5.560 0.003 44 1 . . . B 15 DC H5 . c17887_2lib 1 177 . 2 2 5 5 DC H5' H 1 4.124 0.000 4 1 . . . B 15 DC H5' . c17887_2lib 1 178 . 2 2 5 5 DC H5'' H 1 4.114 0.000 4 1 . . . B 15 DC H5'' . c17887_2lib 1 179 . 2 2 5 5 DC H6 H 1 7.539 0.002 80 1 . . . B 15 DC H6 . c17887_2lib 1 180 . 2 2 5 5 DC C1' C 13 86.910 . . 1 . . . B 15 DC C1' . c17887_2lib 1 181 . 2 2 5 5 DC C3' C 13 76.620 . . 1 . . . B 15 DC C3' . c17887_2lib 1 182 . 2 2 5 5 DC C6 C 13 142.78 . . 1 . . . B 15 DC C6 . c17887_2lib 1 183 . 2 2 5 5 DC P P 31 -0.358 . . 1 . . . B 15 DC P . c17887_2lib 1 184 . 2 2 6 6 DT H1' H 1 5.714 0.004 36 1 . . . B 16 DT H1' . c17887_2lib 1 185 . 2 2 6 6 DT H2' H 1 2.316 0.003 30 1 . . . B 16 DT H2' . c17887_2lib 1 186 . 2 2 6 6 DT H2'' H 1 2.514 0.002 27 1 . . . B 16 DT H2'' . c17887_2lib 1 187 . 2 2 6 6 DT H3 H 1 13.480 . . 1 . . . B 16 DT H3 . c17887_2lib 1 188 . 2 2 6 6 DT H3' H 1 4.845 0.001 33 1 . . . B 16 DT H3' . c17887_2lib 1 189 . 2 2 6 6 DT H4' H 1 4.202 0.002 15 1 . . . B 16 DT H4' . c17887_2lib 1 190 . 2 2 6 6 DT H5' H 1 4.110 0.000 4 1 . . . B 16 DT H5' . c17887_2lib 1 191 . 2 2 6 6 DT H5'' H 1 4.081 0.000 4 1 . . . B 16 DT H5'' . c17887_2lib 1 192 . 2 2 6 6 DT H6 H 1 7.390 0.002 82 1 . . . B 16 DT H6 . c17887_2lib 1 193 . 2 2 6 6 DT H71 H 1 1.623 0.002 35 1 . . . B 16 DT H7 . c17887_2lib 1 194 . 2 2 6 6 DT H72 H 1 1.623 0.002 35 1 . . . B 16 DT H7 . c17887_2lib 1 195 . 2 2 6 6 DT H73 H 1 1.623 0.002 35 1 . . . B 16 DT H7 . c17887_2lib 1 196 . 2 2 6 6 DT C1' C 13 85.810 . . 1 . . . B 16 DT C1' . c17887_2lib 1 197 . 2 2 6 6 DT C3' C 13 77.910 . . 1 . . . B 16 DT C3' . c17887_2lib 1 198 . 2 2 6 6 DT C6 C 13 137.98 . . 1 . . . B 16 DT C6 . c17887_2lib 1 199 . 2 2 6 6 DT P P 31 -0.826 . . 1 . . . B 16 DT P . c17887_2lib 1 200 . 2 2 7 7 DG H1 H 1 12.356 . . 1 . . . B 17 DG H1 . c17887_2lib 1 201 . 2 2 7 7 DG H1' H 1 5.745 0.007 36 1 . . . B 17 DG H1' . c17887_2lib 1 202 . 2 2 7 7 DG H2' H 1 2.491 0.003 27 1 . . . B 17 DG H2' . c17887_2lib 1 203 . 2 2 7 7 DG H2'' H 1 2.732 0.003 21 1 . . . B 17 DG H2'' . c17887_2lib 1 204 . 2 2 7 7 DG H3' H 1 4.947 0.002 31 1 . . . B 17 DG H3' . c17887_2lib 1 205 . 2 2 7 7 DG H4' H 1 4.315 0.002 17 1 . . . B 17 DG H4' . c17887_2lib 1 206 . 2 2 7 7 DG H5' H 1 4.155 0.000 4 1 . . . B 17 DG H5' . c17887_2lib 1 207 . 2 2 7 7 DG H5'' H 1 4.083 0.000 4 1 . . . B 17 DG H5'' . c17887_2lib 1 208 . 2 2 7 7 DG H8 H 1 7.660 0.002 70 1 . . . B 17 DG H8 . c17887_2lib 1 209 . 2 2 7 7 DG C1' C 13 84.890 . . 1 . . . B 17 DG C1' . c17887_2lib 1 210 . 2 2 7 7 DG C3' C 13 78.950 . . 1 . . . B 17 DG C3' . c17887_2lib 1 211 . 2 2 7 7 DG C8 C 13 138.00 . . 1 . . . B 17 DG C8 . c17887_2lib 1 212 . 2 2 7 7 DG P P 31 -0.648 . . 1 . . . B 17 DG P . c17887_2lib 1 213 . 2 2 8 8 DG H1 H 1 12.790 . . 1 . . . B 18 DG H1 . c17887_2lib 1 214 . 2 2 8 8 DG H1' H 1 5.579 0.004 36 1 . . . B 18 DG H1' . c17887_2lib 1 215 . 2 2 8 8 DG H2' H 1 2.564 0.001 30 1 . . . B 18 DG H2' . c17887_2lib 1 216 . 2 2 8 8 DG H2'' H 1 2.708 0.002 26 1 . . . B 18 DG H2'' . c17887_2lib 1 217 . 2 2 8 8 DG H3' H 1 4.962 0.002 37 1 . . . B 18 DG H3' . c17887_2lib 1 218 . 2 2 8 8 DG H4' H 1 4.332 0.003 27 1 . . . B 18 DG H4' . c17887_2lib 1 219 . 2 2 8 8 DG H5' H 1 4.150 0.000 4 1 . . . B 18 DG H5' . c17887_2lib 1 220 . 2 2 8 8 DG H5'' H 1 4.135 0.000 4 1 . . . B 18 DG H5'' . c17887_2lib 1 221 . 2 2 8 8 DG H8 H 1 7.645 0.004 70 1 . . . B 18 DG H8 . c17887_2lib 1 222 . 2 2 8 8 DG C1' C 13 84.020 . . 1 . . . B 18 DG C1' . c17887_2lib 1 223 . 2 2 8 8 DG C3' C 13 78.530 . . 1 . . . B 18 DG C3' . c17887_2lib 1 224 . 2 2 8 8 DG C8 C 13 137.44 . . 1 . . . B 18 DG C8 . c17887_2lib 1 225 . 2 2 8 8 DG P P 31 -0.720 . . 1 . . . B 18 DG P . c17887_2lib 1 226 . 2 2 9 9 DA H1' H 1 6.244 0.002 51 1 . . . B 19 DA H1' . c17887_2lib 1 227 . 2 2 9 9 DA H2 H 1 8.014 0.002 14 1 . . . B 19 DA H2 . c17887_2lib 1 228 . 2 2 9 9 DA H2' H 1 2.587 0.002 39 1 . . . B 19 DA H2' . c17887_2lib 1 229 . 2 2 9 9 DA H2'' H 1 2.870 0.004 33 1 . . . B 19 DA H2'' . c17887_2lib 1 230 . 2 2 9 9 DA H3' H 1 4.980 0.003 29 1 . . . B 19 DA H3' . c17887_2lib 1 231 . 2 2 9 9 DA H4' H 1 4.405 0.002 29 1 . . . B 19 DA H4' . c17887_2lib 1 232 . 2 2 9 9 DA H5' H 1 4.207 0.000 4 1 . . . B 19 DA H5' . c17887_2lib 1 233 . 2 2 9 9 DA H5'' H 1 4.198 0.000 4 1 . . . B 19 DA H5'' . c17887_2lib 1 234 . 2 2 9 9 DA H8 H 1 8.097 0.002 86 1 . . . B 19 DA H8 . c17887_2lib 1 235 . 2 2 9 9 DA C1' C 13 85.120 . . 1 . . . B 19 DA C1' . c17887_2lib 1 236 . 2 2 9 9 DA C3' C 13 77.980 . . 1 . . . B 19 DA C3' . c17887_2lib 1 237 . 2 2 9 9 DA C8 C 13 140.77 . . 1 . . . B 19 DA C8 . c17887_2lib 1 238 . 2 2 9 9 DA P P 31 -0.606 . . 1 . . . B 19 DA P . c17887_2lib 1 239 . 2 2 10 10 DC H1' H 1 6.059 0.003 37 1 . . . B 20 DC H1' . c17887_2lib 1 240 . 2 2 10 10 DC H2' H 1 2.083 0.029 24 1 . . . B 20 DC H2' . c17887_2lib 1 241 . 2 2 10 10 DC H2'' H 1 2.081 0.026 30 1 . . . B 20 DC H2'' . c17887_2lib 1 242 . 2 2 10 10 DC H3' H 1 4.459 0.002 24 1 . . . B 20 DC H3' . c17887_2lib 1 243 . 2 2 10 10 DC H4' H 1 3.999 0.002 23 1 . . . B 20 DC H4' . c17887_2lib 1 244 . 2 2 10 10 DC H5 H 1 5.311 0.002 38 1 . . . B 20 DC H5 . c17887_2lib 1 245 . 2 2 10 10 DC H5' H 1 4.052 0.000 4 1 . . . B 20 DC H5' . c17887_2lib 1 246 . 2 2 10 10 DC H5'' H 1 4.058 0.000 4 1 . . . B 20 DC H5'' . c17887_2lib 1 247 . 2 2 10 10 DC H6 H 1 7.305 0.003 74 1 . . . B 20 DC H6 . c17887_2lib 1 248 . 2 2 10 10 DC C1' C 13 86.130 . . 1 . . . B 20 DC C1' . c17887_2lib 1 249 . 2 2 10 10 DC C3' C 13 71.080 . . 1 . . . B 20 DC C3' . c17887_2lib 1 250 . 2 2 10 10 DC C6 C 13 138.54 . . 1 . . . B 20 DC C6 . c17887_2lib 1 251 . 2 2 10 10 DC P P 31 -0.616 . . 1 . . . B 20 DC P . c17887_2lib 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 c17887_2lib _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 c17887_2lib _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 . . . c17887_2lib 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 . . . . c17887_2lib 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 17.691 43.183 15.869 . . . 1.0 . . . . . . . . . . . . A . 1 DG C1' . . . . . . . . . c17887_2lib 1 . 1 . 2 . 1 1 1 DG C2 C 16.373 41.506 19.694 . . . 1.0 . . . . . . . . . . . . A . 1 DG C2 . . . . . . . . . c17887_2lib 1 . 1 . 3 . 1 1 1 DG C2' C 18.316 42.012 15.131 . . . 1.0 . . . . . . . . . . . . A . 1 DG C2' . . . . . . . . . c17887_2lib 1 . 1 . 4 . 1 1 1 DG C3' C 19.275 42.685 14.125 . . . 1.0 . . . . . . . . . . . . A . 1 DG C3' . . . . . . . . . c17887_2lib 1 . 1 . 5 . 1 1 1 DG C4 C 16.056 42.332 17.626 . . . 1.0 . . . . . . . . . . . . A . 1 DG C4 . . . . . . . . . c17887_2lib 1 . 1 . 6 . 1 1 1 DG C4' C 18.802 44.150 14.124 . . . 1.0 . . . . . . . . . . . . A . 1 DG C4' . . . . . . . . . c17887_2lib 1 . 1 . 7 . 1 1 1 DG C5 C 14.690 42.148 17.659 . . . 1.0 . . . . . . . . . . . . A . 1 DG C5 . . . . . . . . . c17887_2lib 1 . 1 . 8 . 1 1 1 DG C5' C 18.611 44.778 12.735 . . . 1.0 . . . . . . . . . . . . A . 1 DG C5' . . . . . . . . . c17887_2lib 1 . 1 . 9 . 1 1 1 DG C6 C 14.118 41.584 18.852 . . . 1.0 . . . . . . . . . . . . A . 1 DG C6 . . . . . . . . . c17887_2lib 1 . 1 . 10 . 1 1 1 DG C8 C 15.119 43.010 15.761 . . . 1.0 . . . . . . . . . . . . A . 1 DG C8 . . . . . . . . . c17887_2lib 1 . 1 . 11 . 1 1 1 DG H1 H 14.699 40.884 20.686 . . . 1.0 . . . . . . . . . . . . A . 1 DG H1 . . . . . . . . . c17887_2lib 1 . 1 . 12 . 1 1 1 DG H1' H 18.358 43.416 16.695 . . . 1.0 . . . . . . . . . . . . A . 1 DG H1' . . . . . . . . . c17887_2lib 1 . 1 . 13 . 1 1 1 DG H2' H 17.473 41.478 14.676 . . . 1.0 . . . . . . . . . . . . A . 1 DG H2' . . . . . . . . . c17887_2lib 1 . 1 . 14 . 1 1 1 DG H2'' H 18.897 41.388 15.821 . . . 1.0 . . . . . . . . . . . . A . 1 DG H2'' . . . . . . . . . c17887_2lib 1 . 1 . 15 . 1 1 1 DG H21 H 16.710 40.715 21.512 . . . 1.0 . . . . . . . . . . . . A . 1 DG H21 . . . . . . . . . c17887_2lib 1 . 1 . 16 . 1 1 1 DG H22 H 18.114 41.380 20.678 . . . 1.0 . . . . . . . . . . . . A . 1 DG H22 . . . . . . . . . c17887_2lib 1 . 1 . 17 . 1 1 1 DG H3' H 19.240 42.233 13.128 . . . 1.0 . . . . . . . . . . . . A . 1 DG H3' . . . . . . . . . c17887_2lib 1 . 1 . 18 . 1 1 1 DG H4' H 19.567 44.738 14.636 . . . 1.0 . . . . . . . . . . . . A . 1 DG H4' . . . . . . . . . c17887_2lib 1 . 1 . 19 . 1 1 1 DG H5' H 18.231 45.794 12.857 . . . 1.0 . . . . . . . . . . . . A . 1 DG H5' . . . . . . . . . c17887_2lib 1 . 1 . 20 . 1 1 1 DG H5'' H 19.593 44.843 12.268 . . . 1.0 . . . . . . . . . . . . A . 1 DG H5'' . . . . . . . . . c17887_2lib 1 . 1 . 21 . 1 1 1 DG H8 H 15.019 43.445 14.770 . . . 1.0 . . . . . . . . . . . . A . 1 DG H8 . . . . . . . . . c17887_2lib 1 . 1 . 22 . 1 1 1 DG HO5' H 16.812 44.160 12.224 . . . 1.0 . . . . . . . . . . . . A . 1 DG HO5' . . . . . . . . . c17887_2lib 1 . 1 . 23 . 1 1 1 DG N1 N 15.047 41.273 19.820 . . . 1.0 . . . . . . . . . . . . A . 1 DG N1 . . . . . . . . . c17887_2lib 1 . 1 . 24 . 1 1 1 DG N2 N 17.118 41.214 20.724 . . . 1.0 . . . . . . . . . . . . A . 1 DG N2 . . . . . . . . . c17887_2lib 1 . 1 . 25 . 1 1 1 DG N3 N 16.952 42.040 18.621 . . . 1.0 . . . . . . . . . . . . A . 1 DG N3 . . . . . . . . . c17887_2lib 1 . 1 . 26 . 1 1 1 DG N7 N 14.099 42.590 16.464 . . . 1.0 . . . . . . . . . . . . A . 1 DG N7 . . . . . . . . . c17887_2lib 1 . 1 . 27 . 1 1 1 DG N9 N 16.337 42.871 16.391 . . . 1.0 . . . . . . . . . . . . A . 1 DG N9 . . . . . . . . . c17887_2lib 1 . 1 . 28 . 1 1 1 DG O3' O 20.618 42.697 14.592 . . . 1.0 . . . . . . . . . . . . A . 1 DG O3' . . . . . . . . . c17887_2lib 1 . 1 . 29 . 1 1 1 DG O4' O 17.625 44.229 14.912 . . . 1.0 . . . . . . . . . . . . A . 1 DG O4' . . . . . . . . . c17887_2lib 1 . 1 . 30 . 1 1 1 DG O5' O 17.735 44.041 11.889 . . . 1.0 . . . . . . . . . . . . A . 1 DG O5' . . . . . . . . . c17887_2lib 1 . 1 . 31 . 1 1 1 DG O6 O 12.935 41.356 19.109 . . . 1.0 . . . . . . . . . . . . A . 1 DG O6 . . . . . . . . . c17887_2lib 1 . 1 . 32 . 1 1 2 DT C1' C 19.103 38.430 18.371 . . . 1.0 . . . . . . . . . . . . A . 2 DT C1' . . . . . . . . . c17887_2lib 1 . 1 . 33 . 1 1 2 DT C2 C 16.800 38.116 19.190 . . . 1.0 . . . . . . . . . . . . A . 2 DT C2 . . . . . . . . . c17887_2lib 1 . 1 . 34 . 1 1 2 DT C2' C 19.829 37.394 17.512 . . . 1.0 . . . . . . . . . . . . A . 2 DT C2' . . . . . . . . . c17887_2lib 1 . 1 . 35 . 1 1 2 DT C3' C 21.182 38.017 17.172 . . . 1.0 . . . . . . . . . . . . A . 2 DT C3' . . . . . . . . . c17887_2lib 1 . 1 . 36 . 1 1 2 DT C4 C 14.866 38.362 17.722 . . . 1.0 . . . . . . . . . . . . A . 2 DT C4 . . . . . . . . . c17887_2lib 1 . 1 . 37 . 1 1 2 DT C4' C 21.041 39.450 17.706 . . . 1.0 . . . . . . . . . . . . A . 2 DT C4' . . . . . . . . . c17887_2lib 1 . 1 . 38 . 1 1 2 DT C5 C 15.791 38.665 16.632 . . . 1.0 . . . . . . . . . . . . A . 2 DT C5 . . . . . . . . . c17887_2lib 1 . 1 . 39 . 1 1 2 DT C5' C 21.579 40.550 16.788 . . . 1.0 . . . . . . . . . . . . A . 2 DT C5' . . . . . . . . . c17887_2lib 1 . 1 . 40 . 1 1 2 DT C6 C 17.133 38.740 16.863 . . . 1.0 . . . . . . . . . . . . A . 2 DT C6 . . . . . . . . . c17887_2lib 1 . 1 . 41 . 1 1 2 DT C7 C 15.230 38.857 15.232 . . . 1.0 . . . . . . . . . . . . A . 2 DT C7 . . . . . . . . . c17887_2lib 1 . 1 . 42 . 1 1 2 DT H1' H 19.279 38.180 19.425 . . . 1.0 . . . . . . . . . . . . A . 2 DT H1' . . . . . . . . . c17887_2lib 1 . 1 . 43 . 1 1 2 DT H2' H 19.288 37.180 16.591 . . . 1.0 . . . . . . . . . . . . A . 2 DT H2' . . . . . . . . . c17887_2lib 1 . 1 . 44 . 1 1 2 DT H2'' H 19.953 36.484 18.091 . . . 1.0 . . . . . . . . . . . . A . 2 DT H2'' . . . . . . . . . c17887_2lib 1 . 1 . 45 . 1 1 2 DT H3 H 14.859 37.824 19.702 . . . 1.0 . . . . . . . . . . . . A . 2 DT H3 . . . . . . . . . c17887_2lib 1 . 1 . 46 . 1 1 2 DT H3' H 21.304 38.043 16.088 . . . 1.0 . . . . . . . . . . . . A . 2 DT H3' . . . . . . . . . c17887_2lib 1 . 1 . 47 . 1 1 2 DT H4' H 21.615 39.509 18.628 . . . 1.0 . . . . . . . . . . . . A . 2 DT H4' . . . . . . . . . c17887_2lib 1 . 1 . 48 . 1 1 2 DT H5' H 21.195 41.506 17.146 . . . 1.0 . . . . . . . . . . . . A . 2 DT H5' . . . . . . . . . c17887_2lib 1 . 1 . 49 . 1 1 2 DT H5'' H 22.664 40.559 16.887 . . . 1.0 . . . . . . . . . . . . A . 2 DT H5'' . . . . . . . . . c17887_2lib 1 . 1 . 50 . 1 1 2 DT H6 H 17.833 38.992 16.063 . . . 1.0 . . . . . . . . . . . . A . 2 DT H6 . . . . . . . . . c17887_2lib 1 . 1 . 51 . 1 1 2 DT H71 H 14.637 37.984 14.960 . . . 1.0 . . . . . . . . . . . . A . 2 DT H71 . . . . . . . . . c17887_2lib 1 . 1 . 52 . 1 1 2 DT H72 H 16.018 38.980 14.491 . . . 1.0 . . . . . . . . . . . . A . 2 DT H72 . . . . . . . . . c17887_2lib 1 . 1 . 53 . 1 1 2 DT H73 H 14.554 39.711 15.223 . . . 1.0 . . . . . . . . . . . . A . 2 DT H73 . . . . . . . . . c17887_2lib 1 . 1 . 54 . 1 1 2 DT N1 N 17.639 38.466 18.123 . . . 1.0 . . . . . . . . . . . . A . 2 DT N1 . . . . . . . . . c17887_2lib 1 . 1 . 55 . 1 1 2 DT N3 N 15.454 38.110 18.937 . . . 1.0 . . . . . . . . . . . . A . 2 DT N3 . . . . . . . . . c17887_2lib 1 . 1 . 56 . 1 1 2 DT O2 O 17.197 37.812 20.311 . . . 1.0 . . . . . . . . . . . . A . 2 DT O2 . . . . . . . . . c17887_2lib 1 . 1 . 57 . 1 1 2 DT O3' O 22.280 37.338 17.775 . . . 1.0 . . . . . . . . . . . . A . 2 DT O3' . . . . . . . . . c17887_2lib 1 . 1 . 58 . 1 1 2 DT O4 O 13.642 38.327 17.642 . . . 1.0 . . . . . . . . . . . . A . 2 DT O4 . . . . . . . . . c17887_2lib 1 . 1 . 59 . 1 1 2 DT O4' O 19.681 39.676 18.040 . . . 1.0 . . . . . . . . . . . . A . 2 DT O4' . . . . . . . . . c17887_2lib 1 . 1 . 60 . 1 1 2 DT O5' O 21.245 40.385 15.415 . . . 1.0 . . . . . . . . . . . . A . 2 DT O5' . . . . . . . . . c17887_2lib 1 . 1 . 61 . 1 1 2 DT OP1 O 22.984 42.002 14.714 . . . 1.0 . . . . . . . . . . . . A . 2 DT OP1 . . . . . . . . . c17887_2lib 1 . 1 . 62 . 1 1 2 DT OP2 O 21.463 40.936 12.993 . . . 1.0 . . . . . . . . . . . . A . 2 DT OP2 . . . . . . . . . c17887_2lib 1 . 1 . 63 . 1 1 2 DT P P 21.641 41.498 14.352 . . . 1.0 . . . . . . . . . . . . A . 2 DT P . . . . . . . . . c17887_2lib 1 . 1 . 64 . 1 1 3 DC C1' C 18.916 33.522 20.083 . . . 1.0 . . . . . . . . . . . . A . 3 DC C1' . . . . . . . . . c17887_2lib 1 . 1 . 65 . 1 1 3 DC C2 C 16.505 34.100 19.622 . . . 1.0 . . . . . . . . . . . . A . 3 DC C2 . . . . . . . . . c17887_2lib 1 . 1 . 66 . 1 1 3 DC C2' C 19.641 32.306 19.494 . . . 1.0 . . . . . . . . . . . . A . 3 DC C2' . . . . . . . . . c17887_2lib 1 . 1 . 67 . 1 1 3 DC C3' C 21.082 32.418 19.977 . . . 1.0 . . . . . . . . . . . . A . 3 DC C3' . . . . . . . . . c17887_2lib 1 . 1 . 68 . 1 1 3 DC C4 C 15.862 34.932 17.581 . . . 1.0 . . . . . . . . . . . . A . 3 DC C4 . . . . . . . . . c17887_2lib 1 . 1 . 69 . 1 1 3 DC C4' C 21.190 33.905 20.363 . . . 1.0 . . . . . . . . . . . . A . 3 DC C4' . . . . . . . . . c17887_2lib 1 . 1 . 70 . 1 1 3 DC C5 C 17.196 34.919 17.089 . . . 1.0 . . . . . . . . . . . . A . 3 DC C5 . . . . . . . . . c17887_2lib 1 . 1 . 71 . 1 1 3 DC C5' C 22.241 34.724 19.592 . . . 1.0 . . . . . . . . . . . . A . 3 DC C5' . . . . . . . . . c17887_2lib 1 . 1 . 72 . 1 1 3 DC C6 C 18.159 34.454 17.919 . . . 1.0 . . . . . . . . . . . . A . 3 DC C6 . . . . . . . . . c17887_2lib 1 . 1 . 73 . 1 1 3 DC H1' H 18.516 33.252 21.067 . . . 1.0 . . . . . . . . . . . . A . 3 DC H1' . . . . . . . . . c17887_2lib 1 . 1 . 74 . 1 1 3 DC H2' H 19.637 32.320 18.405 . . . 1.0 . . . . . . . . . . . . A . 3 DC H2' . . . . . . . . . c17887_2lib 1 . 1 . 75 . 1 1 3 DC H2'' H 19.185 31.388 19.841 . . . 1.0 . . . . . . . . . . . . A . 3 DC H2'' . . . . . . . . . c17887_2lib 1 . 1 . 76 . 1 1 3 DC H3' H 21.749 32.153 19.155 . . . 1.0 . . . . . . . . . . . . A . 3 DC H3' . . . . . . . . . c17887_2lib 1 . 1 . 77 . 1 1 3 DC H4' H 21.461 33.944 21.419 . . . 1.0 . . . . . . . . . . . . A . 3 DC H4' . . . . . . . . . c17887_2lib 1 . 1 . 78 . 1 1 3 DC H41 H 13.947 35.312 17.162 . . . 1.0 . . . . . . . . . . . . A . 3 DC H41 . . . . . . . . . c17887_2lib 1 . 1 . 79 . 1 1 3 DC H42 H 15.076 35.370 15.809 . . . 1.0 . . . . . . . . . . . . A . 3 DC H42 . . . . . . . . . c17887_2lib 1 . 1 . 80 . 1 1 3 DC H5 H 17.462 35.264 16.102 . . . 1.0 . . . . . . . . . . . . A . 3 DC H5 . . . . . . . . . c17887_2lib 1 . 1 . 81 . 1 1 3 DC H5' H 22.266 35.721 20.037 . . . 1.0 . . . . . . . . . . . . A . 3 DC H5' . . . . . . . . . c17887_2lib 1 . 1 . 82 . 1 1 3 DC H5'' H 23.221 34.269 19.741 . . . 1.0 . . . . . . . . . . . . A . 3 DC H5'' . . . . . . . . . c17887_2lib 1 . 1 . 83 . 1 1 3 DC H6 H 19.197 34.415 17.602 . . . 1.0 . . . . . . . . . . . . A . 3 DC H6 . . . . . . . . . c17887_2lib 1 . 1 . 84 . 1 1 3 DC N1 N 17.839 34.036 19.186 . . . 1.0 . . . . . . . . . . . . A . 3 DC N1 . . . . . . . . . c17887_2lib 1 . 1 . 85 . 1 1 3 DC N3 N 15.528 34.558 18.799 . . . 1.0 . . . . . . . . . . . . A . 3 DC N3 . . . . . . . . . c17887_2lib 1 . 1 . 86 . 1 1 3 DC N4 N 14.893 35.304 16.799 . . . 1.0 . . . . . . . . . . . . A . 3 DC N4 . . . . . . . . . c17887_2lib 1 . 1 . 87 . 1 1 3 DC O2 O 16.164 33.727 20.747 . . . 1.0 . . . . . . . . . . . . A . 3 DC O2 . . . . . . . . . c17887_2lib 1 . 1 . 88 . 1 1 3 DC O3' O 21.333 31.588 21.115 . . . 1.0 . . . . . . . . . . . . A . 3 DC O3' . . . . . . . . . c17887_2lib 1 . 1 . 89 . 1 1 3 DC O4' O 19.911 34.520 20.223 . . . 1.0 . . . . . . . . . . . . A . 3 DC O4' . . . . . . . . . c17887_2lib 1 . 1 . 90 . 1 1 3 DC O5' O 21.977 34.842 18.194 . . . 1.0 . . . . . . . . . . . . A . 3 DC O5' . . . . . . . . . c17887_2lib 1 . 1 . 91 . 1 1 3 DC OP1 O 24.223 35.819 17.612 . . . 1.0 . . . . . . . . . . . . A . 3 DC OP1 . . . . . . . . . c17887_2lib 1 . 1 . 92 . 1 1 3 DC OP2 O 22.385 35.719 15.874 . . . 1.0 . . . . . . . . . . . . A . 3 DC OP2 . . . . . . . . . c17887_2lib 1 . 1 . 93 . 1 1 3 DC P P 22.777 35.897 17.291 . . . 1.0 . . . . . . . . . . . . A . 3 DC P . . . . . . . . . c17887_2lib 1 . 1 . 94 . 1 1 4 DC C1' C 16.384 29.064 22.259 . . . 1.0 . . . . . . . . . . . . A . 4 DC C1' . . . . . . . . . c17887_2lib 1 . 1 . 95 . 1 1 4 DC C2 C 14.609 30.031 20.760 . . . 1.0 . . . . . . . . . . . . A . 4 DC C2 . . . . . . . . . c17887_2lib 1 . 1 . 96 . 1 1 4 DC C2' C 17.120 27.729 22.105 . . . 1.0 . . . . . . . . . . . . A . 4 DC C2' . . . . . . . . . c17887_2lib 1 . 1 . 97 . 1 1 4 DC C3' C 17.996 27.693 23.350 . . . 1.0 . . . . . . . . . . . . A . 4 DC C3' . . . . . . . . . c17887_2lib 1 . 1 . 98 . 1 1 4 DC C4 C 15.180 30.896 18.713 . . . 1.0 . . . . . . . . . . . . A . 4 DC C4 . . . . . . . . . c17887_2lib 1 . 1 . 99 . 1 1 4 DC C4' C 18.315 29.183 23.544 . . . 1.0 . . . . . . . . . . . . A . 4 DC C4' . . . . . . . . . c17887_2lib 1 . 1 . 100 . 1 1 4 DC C5 C 16.556 30.621 18.903 . . . 1.0 . . . . . . . . . . . . A . 4 DC C5 . . . . . . . . . c17887_2lib 1 . 1 . 101 . 1 1 4 DC C5' C 19.710 29.658 23.082 . . . 1.0 . . . . . . . . . . . . A . 4 DC C5' . . . . . . . . . c17887_2lib 1 . 1 . 102 . 1 1 4 DC C6 C 16.900 29.992 20.055 . . . 1.0 . . . . . . . . . . . . A . 4 DC C6 . . . . . . . . . c17887_2lib 1 . 1 . 103 . 1 1 4 DC H1' H 15.526 28.914 22.898 . . . 1.0 . . . . . . . . . . . . A . 4 DC H1' . . . . . . . . . c17887_2lib 1 . 1 . 104 . 1 1 4 DC H2' H 17.768 27.734 21.233 . . . 1.0 . . . . . . . . . . . . A . 4 DC H2' . . . . . . . . . c17887_2lib 1 . 1 . 105 . 1 1 4 DC H2'' H 16.429 26.889 22.057 . . . 1.0 . . . . . . . . . . . . A . 4 DC H2'' . . . . . . . . . c17887_2lib 1 . 1 . 106 . 1 1 4 DC H3' H 18.912 27.125 23.177 . . . 1.0 . . . . . . . . . . . . A . 4 DC H3' . . . . . . . . . c17887_2lib 1 . 1 . 107 . 1 1 4 DC H4' H 18.260 29.382 24.609 . . . 1.0 . . . . . . . . . . . . A . 4 DC H4' . . . . . . . . . c17887_2lib 1 . 1 . 108 . 1 1 4 DC H41 H 13.824 31.695 17.498 . . . 1.0 . . . . . . . . . . . . A . 4 DC H41 . . . . . . . . . c17887_2lib 1 . 1 . 109 . 1 1 4 DC H42 H 15.480 31.724 16.904 . . . 1.0 . . . . . . . . . . . . A . 4 DC H42 . . . . . . . . . c17887_2lib 1 . 1 . 110 . 1 1 4 DC H5 H 17.248 30.991 18.164 . . . 1.0 . . . . . . . . . . . . A . 4 DC H5 . . . . . . . . . c17887_2lib 1 . 1 . 111 . 1 1 4 DC H5' H 19.780 30.724 23.301 . . . 1.0 . . . . . . . . . . . . A . 4 DC H5' . . . . . . . . . c17887_2lib 1 . 1 . 112 . 1 1 4 DC H5'' H 20.462 29.146 23.685 . . . 1.0 . . . . . . . . . . . . A . 4 DC H5'' . . . . . . . . . c17887_2lib 1 . 1 . 113 . 1 1 4 DC H6 H 17.916 29.763 20.333 . . . 1.0 . . . . . . . . . . . . A . 4 DC H6 . . . . . . . . . c17887_2lib 1 . 1 . 114 . 1 1 4 DC N1 N 15.948 29.669 20.976 . . . 1.0 . . . . . . . . . . . . A . 4 DC N1 . . . . . . . . . c17887_2lib 1 . 1 . 115 . 1 1 4 DC N3 N 14.243 30.637 19.604 . . . 1.0 . . . . . . . . . . . . A . 4 DC N3 . . . . . . . . . c17887_2lib 1 . 1 . 116 . 1 1 4 DC N4 N 14.805 31.477 17.613 . . . 1.0 . . . . . . . . . . . . A . 4 DC N4 . . . . . . . . . c17887_2lib 1 . 1 . 117 . 1 1 4 DC O2 O 13.726 29.824 21.598 . . . 1.0 . . . . . . . . . . . . A . 4 DC O2 . . . . . . . . . c17887_2lib 1 . 1 . 118 . 1 1 4 DC O3' O 17.285 27.202 24.489 . . . 1.0 . . . . . . . . . . . . A . 4 DC O3' . . . . . . . . . c17887_2lib 1 . 1 . 119 . 1 1 4 DC O4' O 17.294 29.941 22.903 . . . 1.0 . . . . . . . . . . . . A . 4 DC O4' . . . . . . . . . c17887_2lib 1 . 1 . 120 . 1 1 4 DC O5' O 20.005 29.457 21.702 . . . 1.0 . . . . . . . . . . . . A . 4 DC O5' . . . . . . . . . c17887_2lib 1 . 1 . 121 . 1 1 4 DC OP1 O 22.513 29.576 21.933 . . . 1.0 . . . . . . . . . . . . A . 4 DC OP1 . . . . . . . . . c17887_2lib 1 . 1 . 122 . 1 1 4 DC OP2 O 21.416 29.524 19.654 . . . 1.0 . . . . . . . . . . . . A . 4 DC OP2 . . . . . . . . . c17887_2lib 1 . 1 . 123 . 1 1 4 DC P P 21.386 29.977 21.063 . . . 1.0 . . . . . . . . . . . . A . 4 DC P . . . . . . . . . c17887_2lib 1 . 1 . 124 . 1 1 5 A3A C1' C 13.584 26.400 21.151 . . . 1.0 . . . . . . . . . . . . A . 5 A3A C1' . . . . . . . . . c17887_2lib 1 . 1 . 125 . 1 1 5 A3A C2' C 13.748 24.883 21.221 . . . 1.0 . . . . . . . . . . . . A . 5 A3A C2' . . . . . . . . . c17887_2lib 1 . 1 . 126 . 1 1 5 A3A C2A C 12.714 28.401 17.294 . . . 1.0 . . . . . . . . . . . . A . 5 A3A C2A . . . . . . . . . c17887_2lib 1 . 1 . 127 . 1 1 5 A3A C3' C 13.158 24.474 22.569 . . . 1.0 . . . . . . . . . . . . A . 5 A3A C3' . . . . . . . . . c17887_2lib 1 . 1 . 128 . 1 1 5 A3A C4' C 13.312 25.765 23.386 . . . 1.0 . . . . . . . . . . . . A . 5 A3A C4' . . . . . . . . . c17887_2lib 1 . 1 . 129 . 1 1 5 A3A C4A C 12.204 27.462 19.255 . . . 1.0 . . . . . . . . . . . . A . 5 A3A C4A . . . . . . . . . c17887_2lib 1 . 1 . 130 . 1 1 5 A3A C5' C 14.394 25.718 24.473 . . . 1.0 . . . . . . . . . . . . A . 5 A3A C5' . . . . . . . . . c17887_2lib 1 . 1 . 131 . 1 1 5 A3A C5A C 10.857 27.674 19.094 . . . 1.0 . . . . . . . . . . . . A . 5 A3A C5A . . . . . . . . . c17887_2lib 1 . 1 . 132 . 1 1 5 A3A C6A C 10.512 28.302 17.873 . . . 1.0 . . . . . . . . . . . . A . 5 A3A C6A . . . . . . . . . c17887_2lib 1 . 1 . 133 . 1 1 5 A3A C8A C 11.077 26.712 20.962 . . . 1.0 . . . . . . . . . . . . A . 5 A3A C8A . . . . . . . . . c17887_2lib 1 . 1 . 134 . 1 1 5 A3A H1' H 14.419 26.835 20.622 . . . 1.0 . . . . . . . . . . . . A . 5 A3A H1' . . . . . . . . . c17887_2lib 1 . 1 . 135 . 1 1 5 A3A H2' H 14.813 24.650 21.207 . . . 1.0 . . . . . . . . . . . . A . 5 A3A H2' . . . . . . . . . c17887_2lib 1 . 1 . 136 . 1 1 5 A3A H2'' H 13.257 24.377 20.398 . . . 1.0 . . . . . . . . . . . . A . 5 A3A H2'' . . . . . . . . . c17887_2lib 1 . 1 . 137 . 1 1 5 A3A H2A H 13.453 28.661 16.548 . . . 1.0 . . . . . . . . . . . . A . 5 A3A H2A . . . . . . . . . c17887_2lib 1 . 1 . 138 . 1 1 5 A3A H3' H 13.729 23.656 23.008 . . . 1.0 . . . . . . . . . . . . A . 5 A3A H3' . . . . . . . . . c17887_2lib 1 . 1 . 139 . 1 1 5 A3A H4' H 12.362 25.962 23.882 . . . 1.0 . . . . . . . . . . . . A . 5 A3A H4' . . . . . . . . . c17887_2lib 1 . 1 . 140 . 1 1 5 A3A H5' H 14.489 26.723 24.888 . . . 1.0 . . . . . . . . . . . . A . 5 A3A H5' . . . . . . . . . c17887_2lib 1 . 1 . 141 . 1 1 5 A3A H5'' H 14.074 25.048 25.273 . . . 1.0 . . . . . . . . . . . . A . 5 A3A H5'' . . . . . . . . . c17887_2lib 1 . 1 . 142 . 1 1 5 A3A H8A H 10.920 26.235 21.910 . . . 1.0 . . . . . . . . . . . . A . 5 A3A H8A . . . . . . . . . c17887_2lib 1 . 1 . 143 . 1 1 5 A3A HN61 H 8.500 28.368 18.098 . . . 1.0 . . . . . . . . . . . . A . 5 A3A HN61 . . . . . . . . . c17887_2lib 1 . 1 . 144 . 1 1 5 A3A HN62 H 9.140 29.025 16.588 . . . 1.0 . . . . . . . . . . . . A . 5 A3A HN62 . . . . . . . . . c17887_2lib 1 . 1 . 145 . 1 1 5 A3A N1A N 11.447 28.662 16.990 . . . 1.0 . . . . . . . . . . . . A . 5 A3A N1A . . . . . . . . . c17887_2lib 1 . 1 . 146 . 1 1 5 A3A N3A N 13.197 27.799 18.381 . . . 1.0 . . . . . . . . . . . . A . 5 A3A N3A . . . . . . . . . c17887_2lib 1 . 1 . 147 . 1 1 5 A3A N6A N 9.284 28.597 17.489 . . . 1.0 . . . . . . . . . . . . A . 5 A3A N6A . . . . . . . . . c17887_2lib 1 . 1 . 148 . 1 1 5 A3A N7A N 10.135 27.207 20.206 . . . 1.0 . . . . . . . . . . . . A . 5 A3A N7A . . . . . . . . . c17887_2lib 1 . 1 . 149 . 1 1 5 A3A N9A N 12.341 26.836 20.476 . . . 1.0 . . . . . . . . . . . . A . 5 A3A N9A . . . . . . . . . c17887_2lib 1 . 1 . 150 . 1 1 5 A3A O3' O 11.775 24.134 22.497 . . . 1.0 . . . . . . . . . . . . A . 5 A3A O3' . . . . . . . . . c17887_2lib 1 . 1 . 151 . 1 1 5 A3A O5' O 13.594 26.846 22.498 . . . 1.0 . . . . . . . . . . . . A . 5 A3A O5' . . . . . . . . . c17887_2lib 1 . 1 . 152 . 1 1 5 A3A O6' O 15.655 25.288 23.976 . . . 1.0 . . . . . . . . . . . . A . 5 A3A O6' . . . . . . . . . c17887_2lib 1 . 1 . 153 . 1 1 5 A3A OP1 O 16.758 25.475 26.195 . . . 1.0 . . . . . . . . . . . . A . 5 A3A OP1 . . . . . . . . . c17887_2lib 1 . 1 . 154 . 1 1 5 A3A OP2 O 18.084 24.850 24.123 . . . 1.0 . . . . . . . . . . . . A . 5 A3A OP2 . . . . . . . . . c17887_2lib 1 . 1 . 155 . 1 1 5 A3A P P 17.006 25.648 24.746 . . . 1.0 . . . . . . . . . . . . A . 5 A3A P . . . . . . . . . c17887_2lib 1 . 1 . 156 . 1 1 6 DG C1' C 8.524 24.177 17.920 . . . 1.0 . . . . . . . . . . . . A . 6 DG C1' . . . . . . . . . c17887_2lib 1 . 1 . 157 . 1 1 6 DG C2 C 9.450 26.524 14.307 . . . 1.0 . . . . . . . . . . . . A . 6 DG C2 . . . . . . . . . c17887_2lib 1 . 1 . 158 . 1 1 6 DG C2' C 8.498 22.678 18.200 . . . 1.0 . . . . . . . . . . . . A . 6 DG C2' . . . . . . . . . c17887_2lib 1 . 1 . 159 . 1 1 6 DG C3' C 7.624 22.597 19.447 . . . 1.0 . . . . . . . . . . . . A . 6 DG C3' . . . . . . . . . c17887_2lib 1 . 1 . 160 . 1 1 6 DG C4 C 9.948 25.326 16.137 . . . 1.0 . . . . . . . . . . . . A . 6 DG C4 . . . . . . . . . c17887_2lib 1 . 1 . 161 . 1 1 6 DG C4' C 7.926 23.932 20.138 . . . 1.0 . . . . . . . . . . . . A . 6 DG C4' . . . . . . . . . c17887_2lib 1 . 1 . 162 . 1 1 6 DG C5 C 11.311 25.492 15.989 . . . 1.0 . . . . . . . . . . . . A . 6 DG C5 . . . . . . . . . c17887_2lib 1 . 1 . 163 . 1 1 6 DG C5' C 8.958 23.806 21.266 . . . 1.0 . . . . . . . . . . . . A . 6 DG C5' . . . . . . . . . c17887_2lib 1 . 1 . 164 . 1 1 6 DG C6 C 11.781 26.268 14.873 . . . 1.0 . . . . . . . . . . . . A . 6 DG C6 . . . . . . . . . c17887_2lib 1 . 1 . 165 . 1 1 6 DG C8 C 11.055 24.370 17.772 . . . 1.0 . . . . . . . . . . . . A . 6 DG C8 . . . . . . . . . c17887_2lib 1 . 1 . 166 . 1 1 6 DG H1 H 11.023 27.310 13.280 . . . 1.0 . . . . . . . . . . . . A . 6 DG H1 . . . . . . . . . c17887_2lib 1 . 1 . 167 . 1 1 6 DG H1' H 7.673 24.419 17.289 . . . 1.0 . . . . . . . . . . . . A . 6 DG H1' . . . . . . . . . c17887_2lib 1 . 1 . 168 . 1 1 6 DG H2' H 9.490 22.297 18.441 . . . 1.0 . . . . . . . . . . . . A . 6 DG H2' . . . . . . . . . c17887_2lib 1 . 1 . 169 . 1 1 6 DG H2'' H 8.083 22.144 17.350 . . . 1.0 . . . . . . . . . . . . A . 6 DG H2'' . . . . . . . . . c17887_2lib 1 . 1 . 170 . 1 1 6 DG H21 H 8.958 27.558 12.639 . . . 1.0 . . . . . . . . . . . . A . 6 DG H21 . . . . . . . . . c17887_2lib 1 . 1 . 171 . 1 1 6 DG H22 H 7.646 26.810 13.536 . . . 1.0 . . . . . . . . . . . . A . 6 DG H22 . . . . . . . . . c17887_2lib 1 . 1 . 172 . 1 1 6 DG H3' H 7.913 21.755 20.080 . . . 1.0 . . . . . . . . . . . . A . 6 DG H3' . . . . . . . . . c17887_2lib 1 . 1 . 173 . 1 1 6 DG H4' H 7.009 24.336 20.561 . . . 1.0 . . . . . . . . . . . . A . 6 DG H4' . . . . . . . . . c17887_2lib 1 . 1 . 174 . 1 1 6 DG H5' H 9.213 24.805 21.614 . . . 1.0 . . . . . . . . . . . . A . 6 DG H5' . . . . . . . . . c17887_2lib 1 . 1 . 175 . 1 1 6 DG H5'' H 8.477 23.287 22.094 . . . 1.0 . . . . . . . . . . . . A . 6 DG H5'' . . . . . . . . . c17887_2lib 1 . 1 . 176 . 1 1 6 DG H8 H 11.220 23.829 18.697 . . . 1.0 . . . . . . . . . . . . A . 6 DG H8 . . . . . . . . . c17887_2lib 1 . 1 . 177 . 1 1 6 DG N1 N 10.765 26.751 14.077 . . . 1.0 . . . . . . . . . . . . A . 6 DG N1 . . . . . . . . . c17887_2lib 1 . 1 . 178 . 1 1 6 DG N2 N 8.621 27.015 13.429 . . . 1.0 . . . . . . . . . . . . A . 6 DG N2 . . . . . . . . . c17887_2lib 1 . 1 . 179 . 1 1 6 DG N3 N 8.957 25.804 15.316 . . . 1.0 . . . . . . . . . . . . A . 6 DG N3 . . . . . . . . . c17887_2lib 1 . 1 . 180 . 1 1 6 DG N7 N 12.008 24.860 17.029 . . . 1.0 . . . . . . . . . . . . A . 6 DG N7 . . . . . . . . . c17887_2lib 1 . 1 . 181 . 1 1 6 DG N9 N 9.791 24.597 17.295 . . . 1.0 . . . . . . . . . . . . A . 6 DG N9 . . . . . . . . . c17887_2lib 1 . 1 . 182 . 1 1 6 DG O3' O 6.237 22.545 19.131 . . . 1.0 . . . . . . . . . . . . A . 6 DG O3' . . . . . . . . . c17887_2lib 1 . 1 . 183 . 1 1 6 DG O4' O 8.409 24.835 19.163 . . . 1.0 . . . . . . . . . . . . A . 6 DG O4' . . . . . . . . . c17887_2lib 1 . 1 . 184 . 1 1 6 DG O5' O 10.150 23.111 20.896 . . . 1.0 . . . . . . . . . . . . A . 6 DG O5' . . . . . . . . . c17887_2lib 1 . 1 . 185 . 1 1 6 DG O6 O 12.938 26.553 14.554 . . . 1.0 . . . . . . . . . . . . A . 6 DG O6 . . . . . . . . . c17887_2lib 1 . 1 . 186 . 1 1 6 DG OP1 O 10.478 22.092 23.122 . . . 1.0 . . . . . . . . . . . . A . 6 DG OP1 . . . . . . . . . c17887_2lib 1 . 1 . 187 . 1 1 6 DG OP2 O 12.328 21.953 21.363 . . . 1.0 . . . . . . . . . . . . A . 6 DG OP2 . . . . . . . . . c17887_2lib 1 . 1 . 188 . 1 1 6 DG P P 11.230 22.710 22.004 . . . 1.0 . . . . . . . . . . . . A . 6 DG P . . . . . . . . . c17887_2lib 1 . 1 . 189 . 1 1 7 DG C1' C 6.892 22.392 13.512 . . . 1.0 . . . . . . . . . . . . A . 7 DG C1' . . . . . . . . . c17887_2lib 1 . 1 . 190 . 1 1 7 DG C2 C 9.588 24.736 11.065 . . . 1.0 . . . . . . . . . . . . A . 7 DG C2 . . . . . . . . . c17887_2lib 1 . 1 . 191 . 1 1 7 DG C2' C 6.318 21.008 13.732 . . . 1.0 . . . . . . . . . . . . A . 7 DG C2' . . . . . . . . . c17887_2lib 1 . 1 . 192 . 1 1 7 DG C3' C 4.878 21.359 14.072 . . . 1.0 . . . . . . . . . . . . A . 7 DG C3' . . . . . . . . . c17887_2lib 1 . 1 . 193 . 1 1 7 DG C4 C 9.104 23.316 12.730 . . . 1.0 . . . . . . . . . . . . A . 7 DG C4 . . . . . . . . . c17887_2lib 1 . 1 . 194 . 1 1 7 DG C4' C 5.053 22.683 14.824 . . . 1.0 . . . . . . . . . . . . A . 7 DG C4' . . . . . . . . . c17887_2lib 1 . 1 . 195 . 1 1 7 DG C5 C 10.415 23.159 13.118 . . . 1.0 . . . . . . . . . . . . A . 7 DG C5 . . . . . . . . . c17887_2lib 1 . 1 . 196 . 1 1 7 DG C5' C 4.841 22.572 16.335 . . . 1.0 . . . . . . . . . . . . A . 7 DG C5' . . . . . . . . . c17887_2lib 1 . 1 . 197 . 1 1 7 DG C6 C 11.416 23.901 12.397 . . . 1.0 . . . . . . . . . . . . A . 7 DG C6 . . . . . . . . . c17887_2lib 1 . 1 . 198 . 1 1 7 DG C8 C 9.261 21.899 14.392 . . . 1.0 . . . . . . . . . . . . A . 7 DG C8 . . . . . . . . . c17887_2lib 1 . 1 . 199 . 1 1 7 DG H1 H 11.579 25.085 10.740 . . . 1.0 . . . . . . . . . . . . A . 7 DG H1 . . . . . . . . . c17887_2lib 1 . 1 . 200 . 1 1 7 DG H1' H 6.522 22.718 12.549 . . . 1.0 . . . . . . . . . . . . A . 7 DG H1' . . . . . . . . . c17887_2lib 1 . 1 . 201 . 1 1 7 DG H2' H 6.810 20.556 14.563 . . . 1.0 . . . . . . . . . . . . A . 7 DG H2' . . . . . . . . . c17887_2lib 1 . 1 . 202 . 1 1 7 DG H2'' H 6.400 20.362 12.868 . . . 1.0 . . . . . . . . . . . . A . 7 DG H2'' . . . . . . . . . c17887_2lib 1 . 1 . 203 . 1 1 7 DG H21 H 9.954 25.817 9.412 . . . 1.0 . . . . . . . . . . . . A . 7 DG H21 . . . . . . . . . c17887_2lib 1 . 1 . 204 . 1 1 7 DG H22 H 8.251 25.498 9.831 . . . 1.0 . . . . . . . . . . . . A . 7 DG H22 . . . . . . . . . c17887_2lib 1 . 1 . 205 . 1 1 7 DG H3' H 4.396 20.605 14.696 . . . 1.0 . . . . . . . . . . . . A . 7 DG H3' . . . . . . . . . c17887_2lib 1 . 1 . 206 . 1 1 7 DG H4' H 4.325 23.383 14.434 . . . 1.0 . . . . . . . . . . . . A . 7 DG H4' . . . . . . . . . c17887_2lib 1 . 1 . 207 . 1 1 7 DG H5' H 5.106 23.526 16.789 . . . 1.0 . . . . . . . . . . . . A . 7 DG H5' . . . . . . . . . c17887_2lib 1 . 1 . 208 . 1 1 7 DG H5'' H 3.784 22.384 16.516 . . . 1.0 . . . . . . . . . . . . A . 7 DG H5'' . . . . . . . . . c17887_2lib 1 . 1 . 209 . 1 1 7 DG H8 H 8.929 21.205 15.155 . . . 1.0 . . . . . . . . . . . . A . 7 DG H8 . . . . . . . . . c17887_2lib 1 . 1 . 210 . 1 1 7 DG N1 N 10.909 24.649 11.355 . . . 1.0 . . . . . . . . . . . . A . 7 DG N1 . . . . . . . . . c17887_2lib 1 . 1 . 211 . 1 1 7 DG N2 N 9.243 25.444 10.027 . . . 1.0 . . . . . . . . . . . . A . 7 DG N2 . . . . . . . . . c17887_2lib 1 . 1 . 212 . 1 1 7 DG N3 N 8.621 24.107 11.725 . . . 1.0 . . . . . . . . . . . . A . 7 DG N3 . . . . . . . . . c17887_2lib 1 . 1 . 213 . 1 1 7 DG N7 N 10.503 22.263 14.197 . . . 1.0 . . . . . . . . . . . . A . 7 DG N7 . . . . . . . . . c17887_2lib 1 . 1 . 214 . 1 1 7 DG N9 N 8.362 22.504 13.549 . . . 1.0 . . . . . . . . . . . . A . 7 DG N9 . . . . . . . . . c17887_2lib 1 . 1 . 215 . 1 1 7 DG O3' O 4.153 21.618 12.881 . . . 1.0 . . . . . . . . . . . . A . 7 DG O3' . . . . . . . . . c17887_2lib 1 . 1 . 216 . 1 1 7 DG O4' O 6.344 23.194 14.538 . . . 1.0 . . . . . . . . . . . . A . 7 DG O4' . . . . . . . . . c17887_2lib 1 . 1 . 217 . 1 1 7 DG O5' O 5.609 21.530 16.918 . . . 1.0 . . . . . . . . . . . . A . 7 DG O5' . . . . . . . . . c17887_2lib 1 . 1 . 218 . 1 1 7 DG O6 O 12.630 23.958 12.591 . . . 1.0 . . . . . . . . . . . . A . 7 DG O6 . . . . . . . . . c17887_2lib 1 . 1 . 219 . 1 1 7 DG OP1 O 4.140 21.241 18.894 . . . 1.0 . . . . . . . . . . . . A . 7 DG OP1 . . . . . . . . . c17887_2lib 1 . 1 . 220 . 1 1 7 DG OP2 O 6.399 20.067 18.756 . . . 1.0 . . . . . . . . . . . . A . 7 DG OP2 . . . . . . . . . c17887_2lib 1 . 1 . 221 . 1 1 7 DG P P 5.560 21.255 18.479 . . . 1.0 . . . . . . . . . . . . A . 7 DG P . . . . . . . . . c17887_2lib 1 . 1 . 222 . 1 1 8 DA C1' C 5.751 22.178 8.116 . . . 1.0 . . . . . . . . . . . . A . 8 DA C1' . . . . . . . . . c17887_2lib 1 . 1 . 223 . 1 1 8 DA C2 C 10.038 22.958 7.875 . . . 1.0 . . . . . . . . . . . . A . 8 DA C2 . . . . . . . . . c17887_2lib 1 . 1 . 224 . 1 1 8 DA C2' C 4.864 21.012 7.664 . . . 1.0 . . . . . . . . . . . . A . 8 DA C2' . . . . . . . . . c17887_2lib 1 . 1 . 225 . 1 1 8 DA C3' C 3.435 21.506 7.699 . . . 1.0 . . . . . . . . . . . . A . 8 DA C3' . . . . . . . . . c17887_2lib 1 . 1 . 226 . 1 1 8 DA C4 C 8.211 22.040 8.755 . . . 1.0 . . . . . . . . . . . . A . 8 DA C4 . . . . . . . . . c17887_2lib 1 . 1 . 227 . 1 1 8 DA C4' C 3.572 22.601 8.763 . . . 1.0 . . . . . . . . . . . . A . 8 DA C4' . . . . . . . . . c17887_2lib 1 . 1 . 228 . 1 1 8 DA C5 C 8.904 21.396 9.745 . . . 1.0 . . . . . . . . . . . . A . 8 DA C5 . . . . . . . . . c17887_2lib 1 . 1 . 229 . 1 1 8 DA C5' C 2.991 22.179 10.118 . . . 1.0 . . . . . . . . . . . . A . 8 DA C5' . . . . . . . . . c17887_2lib 1 . 1 . 230 . 1 1 8 DA C6 C 10.298 21.631 9.700 . . . 1.0 . . . . . . . . . . . . A . 8 DA C6 . . . . . . . . . c17887_2lib 1 . 1 . 231 . 1 1 8 DA C8 C 6.873 20.889 10.047 . . . 1.0 . . . . . . . . . . . . A . 8 DA C8 . . . . . . . . . c17887_2lib 1 . 1 . 232 . 1 1 8 DA H1' H 6.103 22.779 7.258 . . . 1.0 . . . . . . . . . . . . A . 8 DA H1' . . . . . . . . . c17887_2lib 1 . 1 . 233 . 1 1 8 DA H2 H 10.488 23.591 7.127 . . . 1.0 . . . . . . . . . . . . A . 8 DA H2 . . . . . . . . . c17887_2lib 1 . 1 . 234 . 1 1 8 DA H2' H 4.931 20.186 8.374 . . . 1.0 . . . . . . . . . . . . A . 8 DA H2' . . . . . . . . . c17887_2lib 1 . 1 . 235 . 1 1 8 DA H2'' H 5.110 20.695 6.667 . . . 1.0 . . . . . . . . . . . . A . 8 DA H2'' . . . . . . . . . c17887_2lib 1 . 1 . 236 . 1 1 8 DA H3' H 2.787 20.670 7.997 . . . 1.0 . . . . . . . . . . . . A . 8 DA H3' . . . . . . . . . c17887_2lib 1 . 1 . 237 . 1 1 8 DA H4' H 3.076 23.490 8.388 . . . 1.0 . . . . . . . . . . . . A . 8 DA H4' . . . . . . . . . c17887_2lib 1 . 1 . 238 . 1 1 8 DA H5' H 3.225 22.966 10.837 . . . 1.0 . . . . . . . . . . . . A . 8 DA H5' . . . . . . . . . c17887_2lib 1 . 1 . 239 . 1 1 8 DA H5'' H 1.909 22.104 10.033 . . . 1.0 . . . . . . . . . . . . A . 8 DA H5'' . . . . . . . . . c17887_2lib 1 . 1 . 240 . 1 1 8 DA H61 H 12.136 21.428 10.481 . . . 1.0 . . . . . . . . . . . . A . 8 DA H61 . . . . . . . . . c17887_2lib 1 . 1 . 241 . 1 1 8 DA H62 H 10.876 20.503 11.278 . . . 1.0 . . . . . . . . . . . . A . 8 DA H62 . . . . . . . . . c17887_2lib 1 . 1 . 242 . 1 1 8 DA H8 H 5.953 20.468 10.432 . . . 1.0 . . . . . . . . . . . . A . 8 DA H8 . . . . . . . . . c17887_2lib 1 . 1 . 243 . 1 1 8 DA N1 N 10.849 22.408 8.765 . . . 1.0 . . . . . . . . . . . . A . 8 DA N1 . . . . . . . . . c17887_2lib 1 . 1 . 244 . 1 1 8 DA N3 N 8.719 22.845 7.778 . . . 1.0 . . . . . . . . . . . . A . 8 DA N3 . . . . . . . . . c17887_2lib 1 . 1 . 245 . 1 1 8 DA N6 N 11.166 21.155 10.563 . . . 1.0 . . . . . . . . . . . . A . 8 DA N6 . . . . . . . . . c17887_2lib 1 . 1 . 246 . 1 1 8 DA N7 N 8.046 20.663 10.583 . . . 1.0 . . . . . . . . . . . . A . 8 DA N7 . . . . . . . . . c17887_2lib 1 . 1 . 247 . 1 1 8 DA N9 N 6.891 21.712 8.943 . . . 1.0 . . . . . . . . . . . . A . 8 DA N9 . . . . . . . . . c17887_2lib 1 . 1 . 248 . 1 1 8 DA O3' O 2.963 22.085 6.487 . . . 1.0 . . . . . . . . . . . . A . 8 DA O3' . . . . . . . . . c17887_2lib 1 . 1 . 249 . 1 1 8 DA O4' O 4.932 22.973 8.943 . . . 1.0 . . . . . . . . . . . . A . 8 DA O4' . . . . . . . . . c17887_2lib 1 . 1 . 250 . 1 1 8 DA O5' O 3.515 20.933 10.577 . . . 1.0 . . . . . . . . . . . . A . 8 DA O5' . . . . . . . . . c17887_2lib 1 . 1 . 251 . 1 1 8 DA OP1 O 1.919 20.673 12.443 . . . 1.0 . . . . . . . . . . . . A . 8 DA OP1 . . . . . . . . . c17887_2lib 1 . 1 . 252 . 1 1 8 DA OP2 O 3.986 19.178 12.281 . . . 1.0 . . . . . . . . . . . . A . 8 DA OP2 . . . . . . . . . c17887_2lib 1 . 1 . 253 . 1 1 8 DA P P 3.345 20.501 12.099 . . . 1.0 . . . . . . . . . . . . A . 8 DA P . . . . . . . . . c17887_2lib 1 . 1 . 254 . 1 1 9 DC C1' C 7.958 20.420 4.730 . . . 1.0 . . . . . . . . . . . . A . 9 DC C1' . . . . . . . . . c17887_2lib 1 . 1 . 255 . 1 1 9 DC C2 C 9.629 19.680 6.396 . . . 1.0 . . . . . . . . . . . . A . 9 DC C2 . . . . . . . . . c17887_2lib 1 . 1 . 256 . 1 1 9 DC C2' C 7.429 19.601 3.566 . . . 1.0 . . . . . . . . . . . . A . 9 DC C2' . . . . . . . . . c17887_2lib 1 . 1 . 257 . 1 1 9 DC C3' C 6.573 20.573 2.771 . . . 1.0 . . . . . . . . . . . . A . 9 DC C3' . . . . . . . . . c17887_2lib 1 . 1 . 258 . 1 1 9 DC C4 C 9.051 18.340 8.153 . . . 1.0 . . . . . . . . . . . . A . 9 DC C4 . . . . . . . . . c17887_2lib 1 . 1 . 259 . 1 1 9 DC C4' C 6.231 21.599 3.864 . . . 1.0 . . . . . . . . . . . . A . 9 DC C4' . . . . . . . . . c17887_2lib 1 . 1 . 260 . 1 1 9 DC C5 C 7.687 18.287 7.738 . . . 1.0 . . . . . . . . . . . . A . 9 DC C5 . . . . . . . . . c17887_2lib 1 . 1 . 261 . 1 1 9 DC C5' C 4.752 21.967 4.021 . . . 1.0 . . . . . . . . . . . . A . 9 DC C5' . . . . . . . . . c17887_2lib 1 . 1 . 262 . 1 1 9 DC C6 C 7.352 18.947 6.595 . . . 1.0 . . . . . . . . . . . . A . 9 DC C6 . . . . . . . . . c17887_2lib 1 . 1 . 263 . 1 1 9 DC H1' H 8.841 20.975 4.388 . . . 1.0 . . . . . . . . . . . . A . 9 DC H1' . . . . . . . . . c17887_2lib 1 . 1 . 264 . 1 1 9 DC H2' H 6.813 18.758 3.914 . . . 1.0 . . . . . . . . . . . . A . 9 DC H2' . . . . . . . . . c17887_2lib 1 . 1 . 265 . 1 1 9 DC H2'' H 8.269 19.327 2.956 . . . 1.0 . . . . . . . . . . . . A . 9 DC H2'' . . . . . . . . . c17887_2lib 1 . 1 . 266 . 1 1 9 DC H3' H 5.697 20.053 2.369 . . . 1.0 . . . . . . . . . . . . A . 9 DC H3' . . . . . . . . . c17887_2lib 1 . 1 . 267 . 1 1 9 DC H4' H 6.753 22.501 3.638 . . . 1.0 . . . . . . . . . . . . A . 9 DC H4' . . . . . . . . . c17887_2lib 1 . 1 . 268 . 1 1 9 DC H41 H 10.449 17.770 9.434 . . . 1.0 . . . . . . . . . . . . A . 9 DC H41 . . . . . . . . . c17887_2lib 1 . 1 . 269 . 1 1 9 DC H42 H 8.805 17.211 9.789 . . . 1.0 . . . . . . . . . . . . A . 9 DC H42 . . . . . . . . . c17887_2lib 1 . 1 . 270 . 1 1 9 DC H5 H 6.970 17.722 8.311 . . . 1.0 . . . . . . . . . . . . A . 9 DC H5 . . . . . . . . . c17887_2lib 1 . 1 . 271 . 1 1 9 DC H5' H 4.701 22.784 4.744 . . . 1.0 . . . . . . . . . . . . A . 9 DC H5' . . . . . . . . . c17887_2lib 1 . 1 . 272 . 1 1 9 DC H5'' H 4.373 22.343 3.070 . . . 1.0 . . . . . . . . . . . . A . 9 DC H5'' . . . . . . . . . c17887_2lib 1 . 1 . 273 . 1 1 9 DC H6 H 6.360 18.906 6.134 . . . 1.0 . . . . . . . . . . . . A . 9 DC H6 . . . . . . . . . c17887_2lib 1 . 1 . 274 . 1 1 9 DC N1 N 8.318 19.634 5.921 . . . 1.0 . . . . . . . . . . . . A . 9 DC N1 . . . . . . . . . c17887_2lib 1 . 1 . 275 . 1 1 9 DC N3 N 9.985 19.012 7.513 . . . 1.0 . . . . . . . . . . . . A . 9 DC N3 . . . . . . . . . c17887_2lib 1 . 1 . 276 . 1 1 9 DC N4 N 9.464 17.727 9.224 . . . 1.0 . . . . . . . . . . . . A . 9 DC N4 . . . . . . . . . c17887_2lib 1 . 1 . 277 . 1 1 9 DC O2 O 10.499 20.338 5.820 . . . 1.0 . . . . . . . . . . . . A . 9 DC O2 . . . . . . . . . c17887_2lib 1 . 1 . 278 . 1 1 9 DC O3' O 7.328 21.200 1.729 . . . 1.0 . . . . . . . . . . . . A . 9 DC O3' . . . . . . . . . c17887_2lib 1 . 1 . 279 . 1 1 9 DC O4' O 6.863 21.237 5.070 . . . 1.0 . . . . . . . . . . . . A . 9 DC O4' . . . . . . . . . c17887_2lib 1 . 1 . 280 . 1 1 9 DC O5' O 3.933 20.890 4.464 . . . 1.0 . . . . . . . . . . . . A . 9 DC O5' . . . . . . . . . c17887_2lib 1 . 1 . 281 . 1 1 9 DC OP1 O 1.724 22.064 4.333 . . . 1.0 . . . . . . . . . . . . A . 9 DC OP1 . . . . . . . . . c17887_2lib 1 . 1 . 282 . 1 1 9 DC OP2 O 1.957 19.955 5.709 . . . 1.0 . . . . . . . . . . . . A . 9 DC OP2 . . . . . . . . . c17887_2lib 1 . 1 . 283 . 1 1 9 DC P P 2.554 21.210 5.212 . . . 1.0 . . . . . . . . . . . . A . 9 DC P . . . . . . . . . c17887_2lib 1 . 1 . 284 . 1 1 10 DG C1' C 11.637 17.079 2.673 . . . 1.0 . . . . . . . . . . . . A . 10 DG C1' . . . . . . . . . c17887_2lib 1 . 1 . 285 . 1 1 10 DG C2 C 13.706 15.826 6.260 . . . 1.0 . . . . . . . . . . . . A . 10 DG C2 . . . . . . . . . c17887_2lib 1 . 1 . 286 . 1 1 10 DG C2' C 11.028 16.438 1.407 . . . 1.0 . . . . . . . . . . . . A . 10 DG C2' . . . . . . . . . c17887_2lib 1 . 1 . 287 . 1 1 10 DG C3' C 11.066 17.558 0.355 . . . 1.0 . . . . . . . . . . . . A . 10 DG C3' . . . . . . . . . c17887_2lib 1 . 1 . 288 . 1 1 10 DG C4 C 11.865 16.292 5.070 . . . 1.0 . . . . . . . . . . . . A . 10 DG C4 . . . . . . . . . c17887_2lib 1 . 1 . 289 . 1 1 10 DG C4' C 11.313 18.835 1.189 . . . 1.0 . . . . . . . . . . . . A . 10 DG C4' . . . . . . . . . c17887_2lib 1 . 1 . 290 . 1 1 10 DG C5 C 11.010 15.713 5.985 . . . 1.0 . . . . . . . . . . . . A . 10 DG C5 . . . . . . . . . c17887_2lib 1 . 1 . 291 . 1 1 10 DG C5' C 10.288 19.966 0.965 . . . 1.0 . . . . . . . . . . . . A . 10 DG C5' . . . . . . . . . c17887_2lib 1 . 1 . 292 . 1 1 10 DG C6 C 11.582 15.109 7.159 . . . 1.0 . . . . . . . . . . . . A . 10 DG C6 . . . . . . . . . c17887_2lib 1 . 1 . 293 . 1 1 10 DG C8 C 9.807 16.318 4.341 . . . 1.0 . . . . . . . . . . . . A . 10 DG C8 . . . . . . . . . c17887_2lib 1 . 1 . 294 . 1 1 10 DG H1 H 13.416 14.678 7.926 . . . 1.0 . . . . . . . . . . . . A . 10 DG H1 . . . . . . . . . c17887_2lib 1 . 1 . 295 . 1 1 10 DG H1' H 12.714 16.846 2.706 . . . 1.0 . . . . . . . . . . . . A . 10 DG H1' . . . . . . . . . c17887_2lib 1 . 1 . 296 . 1 1 10 DG H2' H 10.001 16.119 1.586 . . . 1.0 . . . . . . . . . . . . A . 10 DG H2' . . . . . . . . . c17887_2lib 1 . 1 . 297 . 1 1 10 DG H2'' H 11.641 15.589 1.068 . . . 1.0 . . . . . . . . . . . . A . 10 DG H2'' . . . . . . . . . c17887_2lib 1 . 1 . 298 . 1 1 10 DG H21 H 15.391 15.020 6.982 . . . 1.0 . . . . . . . . . . . . A . 10 DG H21 . . . . . . . . . c17887_2lib 1 . 1 . 299 . 1 1 10 DG H22 H 15.566 16.184 5.672 . . . 1.0 . . . . . . . . . . . . A . 10 DG H22 . . . . . . . . . c17887_2lib 1 . 1 . 300 . 1 1 10 DG H3' H 10.134 17.705 -0.210 . . . 1.0 . . . . . . . . . . . . A . 10 DG H3' . . . . . . . . . c17887_2lib 1 . 1 . 301 . 1 1 10 DG H4' H 12.280 19.241 0.909 . . . 1.0 . . . . . . . . . . . . A . 10 DG H4' . . . . . . . . . c17887_2lib 1 . 1 . 302 . 1 1 10 DG H5' H 10.278 20.616 1.842 . . . 1.0 . . . . . . . . . . . . A . 10 DG H5' . . . . . . . . . c17887_2lib 1 . 1 . 303 . 1 1 10 DG H5'' H 10.623 20.555 0.114 . . . 1.0 . . . . . . . . . . . . A . 10 DG H5'' . . . . . . . . . c17887_2lib 1 . 1 . 304 . 1 1 10 DG H8 H 8.967 16.446 3.679 . . . 1.0 . . . . . . . . . . . . A . 10 DG H8 . . . . . . . . . c17887_2lib 1 . 1 . 305 . 1 1 10 DG HO3' H 11.876 16.550 -1.127 . . . 1.0 . . . . . . . . . . . . A . 10 DG HO3' . . . . . . . . . c17887_2lib 1 . 1 . 306 . 1 1 10 DG N1 N 12.957 15.198 7.199 . . . 1.0 . . . . . . . . . . . . A . 10 DG N1 . . . . . . . . . c17887_2lib 1 . 1 . 307 . 1 1 10 DG N2 N 15.000 15.730 6.381 . . . 1.0 . . . . . . . . . . . . A . 10 DG N2 . . . . . . . . . c17887_2lib 1 . 1 . 308 . 1 1 10 DG N3 N 13.225 16.409 5.167 . . . 1.0 . . . . . . . . . . . . A . 10 DG N3 . . . . . . . . . c17887_2lib 1 . 1 . 309 . 1 1 10 DG N7 N 9.693 15.770 5.521 . . . 1.0 . . . . . . . . . . . . A . 10 DG N7 . . . . . . . . . c17887_2lib 1 . 1 . 310 . 1 1 10 DG N9 N 11.095 16.621 3.976 . . . 1.0 . . . . . . . . . . . . A . 10 DG N9 . . . . . . . . . c17887_2lib 1 . 1 . 311 . 1 1 10 DG O3' O 12.140 17.297 -0.535 . . . 1.0 . . . . . . . . . . . . A . 10 DG O3' . . . . . . . . . c17887_2lib 1 . 1 . 312 . 1 1 10 DG O4' O 11.381 18.469 2.561 . . . 1.0 . . . . . . . . . . . . A . 10 DG O4' . . . . . . . . . c17887_2lib 1 . 1 . 313 . 1 1 10 DG O5' O 8.973 19.486 0.704 . . . 1.0 . . . . . . . . . . . . A . 10 DG O5' . . . . . . . . . c17887_2lib 1 . 1 . 314 . 1 1 10 DG O6 O 11.035 14.486 8.073 . . . 1.0 . . . . . . . . . . . . A . 10 DG O6 . . . . . . . . . c17887_2lib 1 . 1 . 315 . 1 1 10 DG OP1 O 8.206 21.464 -0.595 . . . 1.0 . . . . . . . . . . . . A . 10 DG OP1 . . . . . . . . . c17887_2lib 1 . 1 . 316 . 1 1 10 DG OP2 O 6.628 19.563 -0.017 . . . 1.0 . . . . . . . . . . . . A . 10 DG OP2 . . . . . . . . . c17887_2lib 1 . 1 . 317 . 1 1 10 DG P P 7.746 20.448 0.375 . . . 1.0 . . . . . . . . . . . . A . 10 DG P . . . . . . . . . c17887_2lib 1 . 1 . 318 . 2 2 1 DC C1' C 17.796 13.093 9.798 . . . 1.0 . . . . . . . . . . . . B . 11 DC C1' . . . . . . . . . c17887_2lib 1 . 1 . 319 . 2 2 1 DC C2 C 15.470 13.171 8.879 . . . 1.0 . . . . . . . . . . . . B . 11 DC C2 . . . . . . . . . c17887_2lib 1 . 1 . 320 . 2 2 1 DC C2' C 18.239 14.408 10.424 . . . 1.0 . . . . . . . . . . . . B . 11 DC C2' . . . . . . . . . c17887_2lib 1 . 1 . 321 . 2 2 1 DC C3' C 19.517 14.151 11.217 . . . 1.0 . . . . . . . . . . . . B . 11 DC C3' . . . . . . . . . c17887_2lib 1 . 1 . 322 . 2 2 1 DC C4 C 13.675 13.196 10.318 . . . 1.0 . . . . . . . . . . . . B . 11 DC C4 . . . . . . . . . c17887_2lib 1 . 1 . 323 . 2 2 1 DC C4' C 19.707 12.641 11.075 . . . 1.0 . . . . . . . . . . . . B . 11 DC C4' . . . . . . . . . c17887_2lib 1 . 1 . 324 . 2 2 1 DC C5 C 14.503 12.883 11.428 . . . 1.0 . . . . . . . . . . . . B . 11 DC C5 . . . . . . . . . c17887_2lib 1 . 1 . 325 . 2 2 1 DC C5' C 19.848 11.913 12.424 . . . 1.0 . . . . . . . . . . . . B . 11 DC C5' . . . . . . . . . c17887_2lib 1 . 1 . 326 . 2 2 1 DC C6 C 15.824 12.705 11.175 . . . 1.0 . . . . . . . . . . . . B . 11 DC C6 . . . . . . . . . c17887_2lib 1 . 1 . 327 . 2 2 1 DC H1' H 17.939 13.072 8.743 . . . 1.0 . . . . . . . . . . . . B . 11 DC H1' . . . . . . . . . c17887_2lib 1 . 1 . 328 . 2 2 1 DC H2' H 17.467 14.731 11.125 . . . 1.0 . . . . . . . . . . . . B . 11 DC H2' . . . . . . . . . c17887_2lib 1 . 1 . 329 . 2 2 1 DC H2'' H 18.414 15.099 9.606 . . . 1.0 . . . . . . . . . . . . B . 11 DC H2'' . . . . . . . . . c17887_2lib 1 . 1 . 330 . 2 2 1 DC H3' H 19.304 14.273 12.278 . . . 1.0 . . . . . . . . . . . . B . 11 DC H3' . . . . . . . . . c17887_2lib 1 . 1 . 331 . 2 2 1 DC H4' H 20.642 12.457 10.535 . . . 1.0 . . . . . . . . . . . . B . 11 DC H4' . . . . . . . . . c17887_2lib 1 . 1 . 332 . 2 2 1 DC H41 H 11.876 13.767 9.675 . . . 1.0 . . . . . . . . . . . . B . 11 DC H41 . . . . . . . . . c17887_2lib 1 . 1 . 333 . 2 2 1 DC H42 H 12.011 13.417 11.405 . . . 1.0 . . . . . . . . . . . . B . 11 DC H42 . . . . . . . . . c17887_2lib 1 . 1 . 334 . 2 2 1 DC H5 H 14.151 12.898 12.446 . . . 1.0 . . . . . . . . . . . . B . 11 DC H5 . . . . . . . . . c17887_2lib 1 . 1 . 335 . 2 2 1 DC H5' H 20.115 10.875 12.217 . . . 1.0 . . . . . . . . . . . . B . 11 DC H5' . . . . . . . . . c17887_2lib 1 . 1 . 336 . 2 2 1 DC H5'' H 20.671 12.363 12.983 . . . 1.0 . . . . . . . . . . . . B . 11 DC H5'' . . . . . . . . . c17887_2lib 1 . 1 . 337 . 2 2 1 DC H6 H 16.565 12.525 11.917 . . . 1.0 . . . . . . . . . . . . B . 11 DC H6 . . . . . . . . . c17887_2lib 1 . 1 . 338 . 2 2 1 DC HO5' H 18.549 11.025 13.563 . . . 1.0 . . . . . . . . . . . . B . 11 DC HO5' . . . . . . . . . c17887_2lib 1 . 1 . 339 . 2 2 1 DC N1 N 16.332 12.875 9.936 . . . 1.0 . . . . . . . . . . . . B . 11 DC N1 . . . . . . . . . c17887_2lib 1 . 1 . 340 . 2 2 1 DC N3 N 14.137 13.314 9.086 . . . 1.0 . . . . . . . . . . . . B . 11 DC N3 . . . . . . . . . c17887_2lib 1 . 1 . 341 . 2 2 1 DC N4 N 12.410 13.448 10.474 . . . 1.0 . . . . . . . . . . . . B . 11 DC N4 . . . . . . . . . c17887_2lib 1 . 1 . 342 . 2 2 1 DC O2 O 15.884 13.342 7.731 . . . 1.0 . . . . . . . . . . . . B . 11 DC O2 . . . . . . . . . c17887_2lib 1 . 1 . 343 . 2 2 1 DC O3' O 20.669 14.860 10.749 . . . 1.0 . . . . . . . . . . . . B . 11 DC O3' . . . . . . . . . c17887_2lib 1 . 1 . 344 . 2 2 1 DC O4' O 18.590 12.071 10.378 . . . 1.0 . . . . . . . . . . . . B . 11 DC O4' . . . . . . . . . c17887_2lib 1 . 1 . 345 . 2 2 1 DC O5' O 18.661 11.942 13.215 . . . 1.0 . . . . . . . . . . . . B . 11 DC O5' . . . . . . . . . c17887_2lib 1 . 1 . 346 . 2 2 2 DG C1' C 17.964 18.998 7.780 . . . 1.0 . . . . . . . . . . . . B . 12 DG C1' . . . . . . . . . c17887_2lib 1 . 1 . 347 . 2 2 2 DG C2 C 13.729 19.417 7.016 . . . 1.0 . . . . . . . . . . . . B . 12 DG C2 . . . . . . . . . c17887_2lib 1 . 1 . 348 . 2 2 2 DG C2' C 19.073 19.811 8.438 . . . 1.0 . . . . . . . . . . . . B . 12 DG C2' . . . . . . . . . c17887_2lib 1 . 1 . 349 . 2 2 2 DG C3' C 20.350 19.285 7.799 . . . 1.0 . . . . . . . . . . . . B . 12 DG C3' . . . . . . . . . c17887_2lib 1 . 1 . 350 . 2 2 2 DG C4 C 15.488 18.929 8.304 . . . 1.0 . . . . . . . . . . . . B . 12 DG C4 . . . . . . . . . c17887_2lib 1 . 1 . 351 . 2 2 2 DG C4' C 19.933 17.867 7.382 . . . 1.0 . . . . . . . . . . . . B . 12 DG C4' . . . . . . . . . c17887_2lib 1 . 1 . 352 . 2 2 2 DG C5 C 14.718 18.483 9.357 . . . 1.0 . . . . . . . . . . . . B . 12 DG C5 . . . . . . . . . c17887_2lib 1 . 1 . 353 . 2 2 2 DG C5' C 20.517 16.816 8.343 . . . 1.0 . . . . . . . . . . . . B . 12 DG C5' . . . . . . . . . c17887_2lib 1 . 1 . 354 . 2 2 2 DG C6 C 13.282 18.492 9.189 . . . 1.0 . . . . . . . . . . . . B . 12 DG C6 . . . . . . . . . c17887_2lib 1 . 1 . 355 . 2 2 2 DG C8 C 16.759 18.205 9.930 . . . 1.0 . . . . . . . . . . . . B . 12 DG C8 . . . . . . . . . c17887_2lib 1 . 1 . 356 . 2 2 2 DG H1 H 11.881 19.067 7.813 . . . 1.0 . . . . . . . . . . . . B . 12 DG H1 . . . . . . . . . c17887_2lib 1 . 1 . 357 . 2 2 2 DG H1' H 17.626 19.456 6.849 . . . 1.0 . . . . . . . . . . . . B . 12 DG H1' . . . . . . . . . c17887_2lib 1 . 1 . 358 . 2 2 2 DG H2' H 19.105 19.603 9.508 . . . 1.0 . . . . . . . . . . . . B . 12 DG H2' . . . . . . . . . c17887_2lib 1 . 1 . 359 . 2 2 2 DG H2'' H 18.941 20.869 8.231 . . . 1.0 . . . . . . . . . . . . B . 12 DG H2'' . . . . . . . . . c17887_2lib 1 . 1 . 360 . 2 2 2 DG H21 H 12.209 19.916 5.807 . . . 1.0 . . . . . . . . . . . . B . 12 DG H21 . . . . . . . . . c17887_2lib 1 . 1 . 361 . 2 2 2 DG H22 H 13.860 20.065 5.166 . . . 1.0 . . . . . . . . . . . . B . 12 DG H22 . . . . . . . . . c17887_2lib 1 . 1 . 362 . 2 2 2 DG H3' H 21.153 19.157 8.526 . . . 1.0 . . . . . . . . . . . . B . 12 DG H3' . . . . . . . . . c17887_2lib 1 . 1 . 363 . 2 2 2 DG H4' H 20.288 17.685 6.372 . . . 1.0 . . . . . . . . . . . . B . 12 DG H4' . . . . . . . . . c17887_2lib 1 . 1 . 364 . 2 2 2 DG H5' H 20.157 15.828 8.057 . . . 1.0 . . . . . . . . . . . . B . 12 DG H5' . . . . . . . . . c17887_2lib 1 . 1 . 365 . 2 2 2 DG H5'' H 21.604 16.831 8.249 . . . 1.0 . . . . . . . . . . . . B . 12 DG H5'' . . . . . . . . . c17887_2lib 1 . 1 . 366 . 2 2 2 DG H8 H 17.639 17.804 10.426 . . . 1.0 . . . . . . . . . . . . B . 12 DG H8 . . . . . . . . . c17887_2lib 1 . 1 . 367 . 2 2 2 DG N1 N 12.875 19.019 7.984 . . . 1.0 . . . . . . . . . . . . B . 12 DG N1 . . . . . . . . . c17887_2lib 1 . 1 . 368 . 2 2 2 DG N2 N 13.216 19.859 5.911 . . . 1.0 . . . . . . . . . . . . B . 12 DG N2 . . . . . . . . . c17887_2lib 1 . 1 . 369 . 2 2 2 DG N3 N 15.050 19.411 7.104 . . . 1.0 . . . . . . . . . . . . B . 12 DG N3 . . . . . . . . . c17887_2lib 1 . 1 . 370 . 2 2 2 DG N7 N 15.545 18.030 10.399 . . . 1.0 . . . . . . . . . . . . B . 12 DG N7 . . . . . . . . . c17887_2lib 1 . 1 . 371 . 2 2 2 DG N9 N 16.801 18.752 8.667 . . . 1.0 . . . . . . . . . . . . B . 12 DG N9 . . . . . . . . . c17887_2lib 1 . 1 . 372 . 2 2 2 DG O3' O 20.784 20.061 6.685 . . . 1.0 . . . . . . . . . . . . B . 12 DG O3' . . . . . . . . . c17887_2lib 1 . 1 . 373 . 2 2 2 DG O4' O 18.518 17.755 7.396 . . . 1.0 . . . . . . . . . . . . B . 12 DG O4' . . . . . . . . . c17887_2lib 1 . 1 . 374 . 2 2 2 DG O5' O 20.138 17.097 9.688 . . . 1.0 . . . . . . . . . . . . B . 12 DG O5' . . . . . . . . . c17887_2lib 1 . 1 . 375 . 2 2 2 DG O6 O 12.390 18.091 9.938 . . . 1.0 . . . . . . . . . . . . B . 12 DG O6 . . . . . . . . . c17887_2lib 1 . 1 . 376 . 2 2 2 DG OP1 O 22.309 16.707 10.842 . . . 1.0 . . . . . . . . . . . . B . 12 DG OP1 . . . . . . . . . c17887_2lib 1 . 1 . 377 . 2 2 2 DG OP2 O 20.144 16.881 12.150 . . . 1.0 . . . . . . . . . . . . B . 12 DG OP2 . . . . . . . . . c17887_2lib 1 . 1 . 378 . 2 2 2 DG P P 20.859 16.429 10.941 . . . 1.0 . . . . . . . . . . . . B . 12 DG P . . . . . . . . . c17887_2lib 1 . 1 . 379 . 2 2 3 DT C1' C 16.327 23.445 5.905 . . . 1.0 . . . . . . . . . . . . B . 13 DT C1' . . . . . . . . . c17887_2lib 1 . 1 . 380 . 2 2 3 DT C2 C 14.297 22.799 7.206 . . . 1.0 . . . . . . . . . . . . B . 13 DT C2 . . . . . . . . . c17887_2lib 1 . 1 . 381 . 2 2 3 DT C2' C 17.039 24.766 6.196 . . . 1.0 . . . . . . . . . . . . B . 13 DT C2' . . . . . . . . . c17887_2lib 1 . 1 . 382 . 2 2 3 DT C3' C 18.304 24.786 5.349 . . . 1.0 . . . . . . . . . . . . B . 13 DT C3' . . . . . . . . . c17887_2lib 1 . 1 . 383 . 2 2 3 DT C4 C 14.499 22.106 9.549 . . . 1.0 . . . . . . . . . . . . B . 13 DT C4 . . . . . . . . . c17887_2lib 1 . 1 . 384 . 2 2 3 DT C4' C 18.386 23.321 4.888 . . . 1.0 . . . . . . . . . . . . B . 13 DT C4' . . . . . . . . . c17887_2lib 1 . 1 . 385 . 2 2 3 DT C5 C 15.939 22.287 9.423 . . . 1.0 . . . . . . . . . . . . B . 13 DT C5 . . . . . . . . . c17887_2lib 1 . 1 . 386 . 2 2 3 DT C5' C 19.734 22.621 5.103 . . . 1.0 . . . . . . . . . . . . B . 13 DT C5' . . . . . . . . . c17887_2lib 1 . 1 . 387 . 2 2 3 DT C6 C 16.486 22.659 8.236 . . . 1.0 . . . . . . . . . . . . B . 13 DT C6 . . . . . . . . . c17887_2lib 1 . 1 . 388 . 2 2 3 DT C7 C 16.810 22.109 10.652 . . . 1.0 . . . . . . . . . . . . B . 13 DT C7 . . . . . . . . . c17887_2lib 1 . 1 . 389 . 2 2 3 DT H1' H 15.596 23.585 5.103 . . . 1.0 . . . . . . . . . . . . B . 13 DT H1' . . . . . . . . . c17887_2lib 1 . 1 . 390 . 2 2 3 DT H2' H 17.323 24.833 7.245 . . . 1.0 . . . . . . . . . . . . B . 13 DT H2' . . . . . . . . . c17887_2lib 1 . 1 . 391 . 2 2 3 DT H2'' H 16.377 25.577 5.926 . . . 1.0 . . . . . . . . . . . . B . 13 DT H2'' . . . . . . . . . c17887_2lib 1 . 1 . 392 . 2 2 3 DT H3 H 12.762 22.359 8.489 . . . 1.0 . . . . . . . . . . . . B . 13 DT H3 . . . . . . . . . c17887_2lib 1 . 1 . 393 . 2 2 3 DT H3' H 19.164 25.013 5.980 . . . 1.0 . . . . . . . . . . . . B . 13 DT H3' . . . . . . . . . c17887_2lib 1 . 1 . 394 . 2 2 3 DT H4' H 18.189 23.325 3.822 . . . 1.0 . . . . . . . . . . . . B . 13 DT H4' . . . . . . . . . c17887_2lib 1 . 1 . 395 . 2 2 3 DT H5' H 19.648 21.619 4.678 . . . 1.0 . . . . . . . . . . . . B . 13 DT H5' . . . . . . . . . c17887_2lib 1 . 1 . 396 . 2 2 3 DT H5'' H 20.492 23.161 4.537 . . . 1.0 . . . . . . . . . . . . B . 13 DT H5'' . . . . . . . . . c17887_2lib 1 . 1 . 397 . 2 2 3 DT H6 H 17.556 22.799 8.114 . . . 1.0 . . . . . . . . . . . . B . 13 DT H6 . . . . . . . . . c17887_2lib 1 . 1 . 398 . 2 2 3 DT H71 H 16.388 22.688 11.473 . . . 1.0 . . . . . . . . . . . . B . 13 DT H71 . . . . . . . . . c17887_2lib 1 . 1 . 399 . 2 2 3 DT H72 H 16.821 21.060 10.945 . . . 1.0 . . . . . . . . . . . . B . 13 DT H72 . . . . . . . . . c17887_2lib 1 . 1 . 400 . 2 2 3 DT H73 H 17.816 22.475 10.479 . . . 1.0 . . . . . . . . . . . . B . 13 DT H73 . . . . . . . . . c17887_2lib 1 . 1 . 401 . 2 2 3 DT N1 N 15.693 22.908 7.137 . . . 1.0 . . . . . . . . . . . . B . 13 DT N1 . . . . . . . . . c17887_2lib 1 . 1 . 402 . 2 2 3 DT N3 N 13.770 22.401 8.416 . . . 1.0 . . . . . . . . . . . . B . 13 DT N3 . . . . . . . . . c17887_2lib 1 . 1 . 403 . 2 2 3 DT O2 O 13.541 23.046 6.264 . . . 1.0 . . . . . . . . . . . . B . 13 DT O2 . . . . . . . . . c17887_2lib 1 . 1 . 404 . 2 2 3 DT O3' O 18.225 25.719 4.265 . . . 1.0 . . . . . . . . . . . . B . 13 DT O3' . . . . . . . . . c17887_2lib 1 . 1 . 405 . 2 2 3 DT O4 O 13.920 21.719 10.561 . . . 1.0 . . . . . . . . . . . . B . 13 DT O4 . . . . . . . . . c17887_2lib 1 . 1 . 406 . 2 2 3 DT O4' O 17.339 22.562 5.476 . . . 1.0 . . . . . . . . . . . . B . 13 DT O4' . . . . . . . . . c17887_2lib 1 . 1 . 407 . 2 2 3 DT O5' O 20.153 22.514 6.465 . . . 1.0 . . . . . . . . . . . . B . 13 DT O5' . . . . . . . . . c17887_2lib 1 . 1 . 408 . 2 2 3 DT OP1 O 22.409 21.722 5.807 . . . 1.0 . . . . . . . . . . . . B . 13 DT OP1 . . . . . . . . . c17887_2lib 1 . 1 . 409 . 2 2 3 DT OP2 O 21.732 21.775 8.264 . . . 1.0 . . . . . . . . . . . . B . 13 DT OP2 . . . . . . . . . c17887_2lib 1 . 1 . 410 . 2 2 3 DT P P 21.372 21.542 6.844 . . . 1.0 . . . . . . . . . . . . B . 13 DT P . . . . . . . . . c17887_2lib 1 . 1 . 411 . 2 2 4 DC C1' C 13.173 27.180 6.128 . . . 1.0 . . . . . . . . . . . . B . 14 DC C1' . . . . . . . . . c17887_2lib 1 . 1 . 412 . 2 2 4 DC C2 C 12.605 26.124 8.359 . . . 1.0 . . . . . . . . . . . . B . 14 DC C2 . . . . . . . . . c17887_2lib 1 . 1 . 413 . 2 2 4 DC C2' C 13.292 28.704 6.064 . . . 1.0 . . . . . . . . . . . . B . 14 DC C2' . . . . . . . . . c17887_2lib 1 . 1 . 414 . 2 2 4 DC C3' C 13.918 29.049 4.715 . . . 1.0 . . . . . . . . . . . . B . 14 DC C3' . . . . . . . . . c17887_2lib 1 . 1 . 415 . 2 2 4 DC C4 C 14.313 25.587 9.807 . . . 1.0 . . . . . . . . . . . . B . 14 DC C4 . . . . . . . . . c17887_2lib 1 . 1 . 416 . 2 2 4 DC C4' C 14.301 27.665 4.162 . . . 1.0 . . . . . . . . . . . . B . 14 DC C4' . . . . . . . . . c17887_2lib 1 . 1 . 417 . 2 2 4 DC C5 C 15.293 26.141 8.945 . . . 1.0 . . . . . . . . . . . . B . 14 DC C5 . . . . . . . . . c17887_2lib 1 . 1 . 418 . 2 2 4 DC C5' C 15.754 27.538 3.690 . . . 1.0 . . . . . . . . . . . . B . 14 DC C5' . . . . . . . . . c17887_2lib 1 . 1 . 419 . 2 2 4 DC C6 C 14.853 26.686 7.790 . . . 1.0 . . . . . . . . . . . . B . 14 DC C6 . . . . . . . . . c17887_2lib 1 . 1 . 420 . 2 2 4 DC H1' H 12.178 26.859 5.887 . . . 1.0 . . . . . . . . . . . . B . 14 DC H1' . . . . . . . . . c17887_2lib 1 . 1 . 421 . 2 2 4 DC H2' H 13.962 29.103 6.820 . . . 1.0 . . . . . . . . . . . . B . 14 DC H2' . . . . . . . . . c17887_2lib 1 . 1 . 422 . 2 2 4 DC H2'' H 12.294 29.112 6.188 . . . 1.0 . . . . . . . . . . . . B . 14 DC H2'' . . . . . . . . . c17887_2lib 1 . 1 . 423 . 2 2 4 DC H3' H 14.827 29.641 4.882 . . . 1.0 . . . . . . . . . . . . B . 14 DC H3' . . . . . . . . . c17887_2lib 1 . 1 . 424 . 2 2 4 DC H4' H 13.655 27.460 3.307 . . . 1.0 . . . . . . . . . . . . B . 14 DC H4' . . . . . . . . . c17887_2lib 1 . 1 . 425 . 2 2 4 DC H41 H 13.962 24.693 11.544 . . . 1.0 . . . . . . . . . . . . B . 14 DC H41 . . . . . . . . . c17887_2lib 1 . 1 . 426 . 2 2 4 DC H42 H 15.652 25.158 11.226 . . . 1.0 . . . . . . . . . . . . B . 14 DC H42 . . . . . . . . . c17887_2lib 1 . 1 . 427 . 2 2 4 DC H5 H 16.346 26.144 9.180 . . . 1.0 . . . . . . . . . . . . B . 14 DC H5 . . . . . . . . . c17887_2lib 1 . 1 . 428 . 2 2 4 DC H5' H 15.872 26.540 3.264 . . . 1.0 . . . . . . . . . . . . B . 14 DC H5' . . . . . . . . . c17887_2lib 1 . 1 . 429 . 2 2 4 DC H5'' H 15.933 28.264 2.896 . . . 1.0 . . . . . . . . . . . . B . 14 DC H5'' . . . . . . . . . c17887_2lib 1 . 1 . 430 . 2 2 4 DC H6 H 15.490 27.147 7.055 . . . 1.0 . . . . . . . . . . . . B . 14 DC H6 . . . . . . . . . c17887_2lib 1 . 1 . 431 . 2 2 4 DC N1 N 13.542 26.650 7.460 . . . 1.0 . . . . . . . . . . . . B . 14 DC N1 . . . . . . . . . c17887_2lib 1 . 1 . 432 . 2 2 4 DC N3 N 13.020 25.586 9.533 . . . 1.0 . . . . . . . . . . . . B . 14 DC N3 . . . . . . . . . c17887_2lib 1 . 1 . 433 . 2 2 4 DC N4 N 14.679 25.092 10.950 . . . 1.0 . . . . . . . . . . . . B . 14 DC N4 . . . . . . . . . c17887_2lib 1 . 1 . 434 . 2 2 4 DC O2 O 11.393 26.162 8.130 . . . 1.0 . . . . . . . . . . . . B . 14 DC O2 . . . . . . . . . c17887_2lib 1 . 1 . 435 . 2 2 4 DC O3' O 13.007 29.711 3.837 . . . 1.0 . . . . . . . . . . . . B . 14 DC O3' . . . . . . . . . c17887_2lib 1 . 1 . 436 . 2 2 4 DC O4' O 14.042 26.669 5.140 . . . 1.0 . . . . . . . . . . . . B . 14 DC O4' . . . . . . . . . c17887_2lib 1 . 1 . 437 . 2 2 4 DC O5' O 16.716 27.717 4.731 . . . 1.0 . . . . . . . . . . . . B . 14 DC O5' . . . . . . . . . c17887_2lib 1 . 1 . 438 . 2 2 4 DC OP1 O 18.631 27.956 3.188 . . . 1.0 . . . . . . . . . . . . B . 14 DC OP1 . . . . . . . . . c17887_2lib 1 . 1 . 439 . 2 2 4 DC OP2 O 19.038 27.625 5.691 . . . 1.0 . . . . . . . . . . . . B . 14 DC OP2 . . . . . . . . . c17887_2lib 1 . 1 . 440 . 2 2 4 DC P P 18.245 27.321 4.472 . . . 1.0 . . . . . . . . . . . . B . 14 DC P . . . . . . . . . c17887_2lib 1 . 1 . 441 . 2 2 5 DC C1' C 9.844 29.959 8.711 . . . 1.0 . . . . . . . . . . . . B . 15 DC C1' . . . . . . . . . c17887_2lib 1 . 1 . 442 . 2 2 5 DC C2 C 10.509 28.776 10.842 . . . 1.0 . . . . . . . . . . . . B . 15 DC C2 . . . . . . . . . c17887_2lib 1 . 1 . 443 . 2 2 5 DC C2' C 9.878 31.486 8.635 . . . 1.0 . . . . . . . . . . . . B . 15 DC C2' . . . . . . . . . c17887_2lib 1 . 1 . 444 . 2 2 5 DC C3' C 9.470 31.903 7.195 . . . 1.0 . . . . . . . . . . . . B . 15 DC C3' . . . . . . . . . c17887_2lib 1 . 1 . 445 . 2 2 5 DC C4 C 12.729 28.414 11.359 . . . 1.0 . . . . . . . . . . . . B . 15 DC C4 . . . . . . . . . c17887_2lib 1 . 1 . 446 . 2 2 5 DC C4' C 9.543 30.540 6.521 . . . 1.0 . . . . . . . . . . . . B . 15 DC C4' . . . . . . . . . c17887_2lib 1 . 1 . 447 . 2 2 5 DC C5 C 13.162 29.039 10.165 . . . 1.0 . . . . . . . . . . . . B . 15 DC C5 . . . . . . . . . c17887_2lib 1 . 1 . 448 . 2 2 5 DC C5' C 10.239 30.590 5.158 . . . 1.0 . . . . . . . . . . . . B . 15 DC C5' . . . . . . . . . c17887_2lib 1 . 1 . 449 . 2 2 5 DC C6 C 12.211 29.563 9.358 . . . 1.0 . . . . . . . . . . . . B . 15 DC C6 . . . . . . . . . c17887_2lib 1 . 1 . 450 . 2 2 5 DC H1' H 8.833 29.618 8.985 . . . 1.0 . . . . . . . . . . . . B . 15 DC H1' . . . . . . . . . c17887_2lib 1 . 1 . 451 . 2 2 5 DC H2' H 10.874 31.799 8.937 . . . 1.0 . . . . . . . . . . . . B . 15 DC H2' . . . . . . . . . c17887_2lib 1 . 1 . 452 . 2 2 5 DC H2'' H 9.151 31.861 9.332 . . . 1.0 . . . . . . . . . . . . B . 15 DC H2'' . . . . . . . . . c17887_2lib 1 . 1 . 453 . 2 2 5 DC H3' H 10.076 32.639 6.632 . . . 1.0 . . . . . . . . . . . . B . 15 DC H3' . . . . . . . . . c17887_2lib 1 . 1 . 454 . 2 2 5 DC H4' H 8.517 30.245 6.415 . . . 1.0 . . . . . . . . . . . . B . 15 DC H4' . . . . . . . . . c17887_2lib 1 . 1 . 455 . 2 2 5 DC H41 H 13.309 27.349 12.939 . . . 1.0 . . . . . . . . . . . . B . 15 DC H41 . . . . . . . . . c17887_2lib 1 . 1 . 456 . 2 2 5 DC H42 H 14.561 27.788 11.765 . . . 1.0 . . . . . . . . . . . . B . 15 DC H42 . . . . . . . . . c17887_2lib 1 . 1 . 457 . 2 2 5 DC H5 H 14.199 29.048 9.860 . . . 1.0 . . . . . . . . . . . . B . 15 DC H5 . . . . . . . . . c17887_2lib 1 . 1 . 458 . 2 2 5 DC H5' H 10.339 29.573 4.776 . . . 1.0 . . . . . . . . . . . . B . 15 DC H5' . . . . . . . . . c17887_2lib 1 . 1 . 459 . 2 2 5 DC H5'' H 9.611 31.155 4.469 . . . 1.0 . . . . . . . . . . . . B . 15 DC H5'' . . . . . . . . . c17887_2lib 1 . 1 . 460 . 2 2 5 DC H6 H 12.492 30.049 8.440 . . . 1.0 . . . . . . . . . . . . B . 15 DC H6 . . . . . . . . . c17887_2lib 1 . 1 . 461 . 2 2 5 DC N1 N 10.879 29.429 9.657 . . . 1.0 . . . . . . . . . . . . B . 15 DC N1 . . . . . . . . . c17887_2lib 1 . 1 . 462 . 2 2 5 DC N3 N 11.456 28.288 11.690 . . . 1.0 . . . . . . . . . . . . B . 15 DC N3 . . . . . . . . . c17887_2lib 1 . 1 . 463 . 2 2 5 DC N4 N 13.630 27.891 12.143 . . . 1.0 . . . . . . . . . . . . B . 15 DC N4 . . . . . . . . . c17887_2lib 1 . 1 . 464 . 2 2 5 DC O2 O 9.325 28.618 11.146 . . . 1.0 . . . . . . . . . . . . B . 15 DC O2 . . . . . . . . . c17887_2lib 1 . 1 . 465 . 2 2 5 DC O3' O 8.141 32.400 7.153 . . . 1.0 . . . . . . . . . . . . B . 15 DC O3' . . . . . . . . . c17887_2lib 1 . 1 . 466 . 2 2 5 DC O4' O 10.140 29.578 7.384 . . . 1.0 . . . . . . . . . . . . B . 15 DC O4' . . . . . . . . . c17887_2lib 1 . 1 . 467 . 2 2 5 DC O5' O 11.524 31.207 5.256 . . . 1.0 . . . . . . . . . . . . B . 15 DC O5' . . . . . . . . . c17887_2lib 1 . 1 . 468 . 2 2 5 DC OP1 O 11.730 31.580 2.821 . . . 1.0 . . . . . . . . . . . . B . 15 DC OP1 . . . . . . . . . c17887_2lib 1 . 1 . 469 . 2 2 5 DC OP2 O 13.674 32.084 4.376 . . . 1.0 . . . . . . . . . . . . B . 15 DC OP2 . . . . . . . . . c17887_2lib 1 . 1 . 470 . 2 2 5 DC P P 12.521 31.231 4.017 . . . 1.0 . . . . . . . . . . . . B . 15 DC P . . . . . . . . . c17887_2lib 1 . 1 . 471 . 2 2 6 DT C1' C 7.569 31.391 12.751 . . . 1.0 . . . . . . . . . . . . B . 16 DT C1' . . . . . . . . . c17887_2lib 1 . 1 . 472 . 2 2 6 DT C2 C 9.314 30.440 14.293 . . . 1.0 . . . . . . . . . . . . B . 16 DT C2 . . . . . . . . . c17887_2lib 1 . 1 . 473 . 2 2 6 DT C2' C 7.034 32.797 12.924 . . . 1.0 . . . . . . . . . . . . B . 16 DT C2' . . . . . . . . . c17887_2lib 1 . 1 . 474 . 2 2 6 DT C3' C 5.782 32.782 12.042 . . . 1.0 . . . . . . . . . . . . B . 16 DT C3' . . . . . . . . . c17887_2lib 1 . 1 . 475 . 2 2 6 DT C4 C 11.678 30.941 13.869 . . . 1.0 . . . . . . . . . . . . B . 16 DT C4 . . . . . . . . . c17887_2lib 1 . 1 . 476 . 2 2 6 DT C4' C 6.278 31.872 10.906 . . . 1.0 . . . . . . . . . . . . B . 16 DT C4' . . . . . . . . . c17887_2lib 1 . 1 . 477 . 2 2 6 DT C5 C 11.244 31.764 12.735 . . . 1.0 . . . . . . . . . . . . B . 16 DT C5 . . . . . . . . . c17887_2lib 1 . 1 . 478 . 2 2 6 DT C5' C 6.333 32.492 9.500 . . . 1.0 . . . . . . . . . . . . B . 16 DT C5' . . . . . . . . . c17887_2lib 1 . 1 . 479 . 2 2 6 DT C6 C 9.921 31.891 12.455 . . . 1.0 . . . . . . . . . . . . B . 16 DT C6 . . . . . . . . . c17887_2lib 1 . 1 . 480 . 2 2 6 DT C7 C 12.259 32.457 11.843 . . . 1.0 . . . . . . . . . . . . B . 16 DT C7 . . . . . . . . . c17887_2lib 1 . 1 . 481 . 2 2 6 DT H1' H 6.857 30.626 13.057 . . . 1.0 . . . . . . . . . . . . B . 16 DT H1' . . . . . . . . . c17887_2lib 1 . 1 . 482 . 2 2 6 DT H2' H 7.768 33.507 12.516 . . . 1.0 . . . . . . . . . . . . B . 16 DT H2' . . . . . . . . . c17887_2lib 1 . 1 . 483 . 2 2 6 DT H2'' H 6.813 32.936 13.973 . . . 1.0 . . . . . . . . . . . . B . 16 DT H2'' . . . . . . . . . c17887_2lib 1 . 1 . 484 . 2 2 6 DT H3 H 10.934 29.786 15.379 . . . 1.0 . . . . . . . . . . . . B . 16 DT H3 . . . . . . . . . c17887_2lib 1 . 1 . 485 . 2 2 6 DT H3' H 5.519 33.750 11.600 . . . 1.0 . . . . . . . . . . . . B . 16 DT H3' . . . . . . . . . c17887_2lib 1 . 1 . 486 . 2 2 6 DT H4' H 5.590 31.055 10.791 . . . 1.0 . . . . . . . . . . . . B . 16 DT H4' . . . . . . . . . c17887_2lib 1 . 1 . 487 . 2 2 6 DT H5' H 6.496 31.660 8.813 . . . 1.0 . . . . . . . . . . . . B . 16 DT H5' . . . . . . . . . c17887_2lib 1 . 1 . 488 . 2 2 6 DT H5'' H 5.353 32.908 9.261 . . . 1.0 . . . . . . . . . . . . B . 16 DT H5'' . . . . . . . . . c17887_2lib 1 . 1 . 489 . 2 2 6 DT H6 H 9.533 32.448 11.605 . . . 1.0 . . . . . . . . . . . . B . 16 DT H6 . . . . . . . . . c17887_2lib 1 . 1 . 490 . 2 2 6 DT H71 H 12.879 33.117 12.447 . . . 1.0 . . . . . . . . . . . . B . 16 DT H71 . . . . . . . . . c17887_2lib 1 . 1 . 491 . 2 2 6 DT H72 H 11.768 33.041 11.064 . . . 1.0 . . . . . . . . . . . . B . 16 DT H72 . . . . . . . . . c17887_2lib 1 . 1 . 492 . 2 2 6 DT H73 H 12.911 31.714 11.387 . . . 1.0 . . . . . . . . . . . . B . 16 DT H73 . . . . . . . . . c17887_2lib 1 . 1 . 493 . 2 2 6 DT N1 N 8.972 31.236 13.194 . . . 1.0 . . . . . . . . . . . . B . 16 DT N1 . . . . . . . . . c17887_2lib 1 . 1 . 494 . 2 2 6 DT N3 N 10.660 30.335 14.576 . . . 1.0 . . . . . . . . . . . . B . 16 DT N3 . . . . . . . . . c17887_2lib 1 . 1 . 495 . 2 2 6 DT O2 O 8.492 29.851 14.995 . . . 1.0 . . . . . . . . . . . . B . 16 DT O2 . . . . . . . . . c17887_2lib 1 . 1 . 496 . 2 2 6 DT O3' O 4.679 32.240 12.786 . . . 1.0 . . . . . . . . . . . . B . 16 DT O3' . . . . . . . . . c17887_2lib 1 . 1 . 497 . 2 2 6 DT O4 O 12.839 30.731 14.217 . . . 1.0 . . . . . . . . . . . . B . 16 DT O4 . . . . . . . . . c17887_2lib 1 . 1 . 498 . 2 2 6 DT O4' O 7.512 31.306 11.330 . . . 1.0 . . . . . . . . . . . . B . 16 DT O4' . . . . . . . . . c17887_2lib 1 . 1 . 499 . 2 2 6 DT O5' O 7.334 33.484 9.267 . . . 1.0 . . . . . . . . . . . . B . 16 DT O5' . . . . . . . . . c17887_2lib 1 . 1 . 500 . 2 2 6 DT OP1 O 6.558 34.327 7.045 . . . 1.0 . . . . . . . . . . . . B . 16 DT OP1 . . . . . . . . . c17887_2lib 1 . 1 . 501 . 2 2 6 DT OP2 O 8.975 34.676 7.762 . . . 1.0 . . . . . . . . . . . . B . 16 DT OP2 . . . . . . . . . c17887_2lib 1 . 1 . 502 . 2 2 6 DT P P 7.758 33.830 7.752 . . . 1.0 . . . . . . . . . . . . B . 16 DT P . . . . . . . . . c17887_2lib 1 . 1 . 503 . 2 2 7 DG C1' C 6.318 31.760 18.599 . . . 1.0 . . . . . . . . . . . . B . 17 DG C1' . . . . . . . . . c17887_2lib 1 . 1 . 504 . 2 2 7 DG C2 C 10.511 30.940 19.951 . . . 1.0 . . . . . . . . . . . . B . 17 DG C2 . . . . . . . . . c17887_2lib 1 . 1 . 505 . 2 2 7 DG C2' C 5.434 33.016 18.603 . . . 1.0 . . . . . . . . . . . . B . 17 DG C2' . . . . . . . . . c17887_2lib 1 . 1 . 506 . 2 2 7 DG C3' C 4.029 32.456 18.424 . . . 1.0 . . . . . . . . . . . . B . 17 DG C3' . . . . . . . . . c17887_2lib 1 . 1 . 507 . 2 2 7 DG C4 C 8.907 31.749 18.604 . . . 1.0 . . . . . . . . . . . . B . 17 DG C4 . . . . . . . . . c17887_2lib 1 . 1 . 508 . 2 2 7 DG C4' C 4.327 31.222 17.552 . . . 1.0 . . . . . . . . . . . . B . 17 DG C4' . . . . . . . . . c17887_2lib 1 . 1 . 509 . 2 2 7 DG C5 C 9.810 32.147 17.635 . . . 1.0 . . . . . . . . . . . . B . 17 DG C5 . . . . . . . . . c17887_2lib 1 . 1 . 510 . 2 2 7 DG C5' C 3.947 31.380 16.056 . . . 1.0 . . . . . . . . . . . . B . 17 DG C5' . . . . . . . . . c17887_2lib 1 . 1 . 511 . 2 2 7 DG C6 C 11.204 31.912 17.863 . . . 1.0 . . . . . . . . . . . . B . 17 DG C6 . . . . . . . . . c17887_2lib 1 . 1 . 512 . 2 2 7 DG C8 C 7.919 32.713 16.914 . . . 1.0 . . . . . . . . . . . . B . 17 DG C8 . . . . . . . . . c17887_2lib 1 . 1 . 513 . 2 2 7 DG H1 H 12.429 31.076 19.271 . . . 1.0 . . . . . . . . . . . . B . 17 DG H1 . . . . . . . . . c17887_2lib 1 . 1 . 514 . 2 2 7 DG H1' H 6.358 31.347 19.610 . . . 1.0 . . . . . . . . . . . . B . 17 DG H1' . . . . . . . . . c17887_2lib 1 . 1 . 515 . 2 2 7 DG H2' H 5.643 33.676 17.764 . . . 1.0 . . . . . . . . . . . . B . 17 DG H2' . . . . . . . . . c17887_2lib 1 . 1 . 516 . 2 2 7 DG H2'' H 5.561 33.568 19.529 . . . 1.0 . . . . . . . . . . . . B . 17 DG H2'' . . . . . . . . . c17887_2lib 1 . 1 . 517 . 2 2 7 DG H21 H 11.927 30.144 21.146 . . . 1.0 . . . . . . . . . . . . B . 17 DG H21 . . . . . . . . . c17887_2lib 1 . 1 . 518 . 2 2 7 DG H22 H 10.245 29.987 21.667 . . . 1.0 . . . . . . . . . . . . B . 17 DG H22 . . . . . . . . . c17887_2lib 1 . 1 . 519 . 2 2 7 DG H3' H 3.361 33.158 17.897 . . . 1.0 . . . . . . . . . . . . B . 17 DG H3' . . . . . . . . . c17887_2lib 1 . 1 . 520 . 2 2 7 DG H4' H 3.772 30.394 17.981 . . . 1.0 . . . . . . . . . . . . B . 17 DG H4' . . . . . . . . . c17887_2lib 1 . 1 . 521 . 2 2 7 DG H5' H 4.256 30.486 15.513 . . . 1.0 . . . . . . . . . . . . B . 17 DG H5' . . . . . . . . . c17887_2lib 1 . 1 . 522 . 2 2 7 DG H5'' H 2.860 31.430 16.006 . . . 1.0 . . . . . . . . . . . . B . 17 DG H5'' . . . . . . . . . c17887_2lib 1 . 1 . 523 . 2 2 7 DG H8 H 7.097 33.084 16.336 . . . 1.0 . . . . . . . . . . . . B . 17 DG H8 . . . . . . . . . c17887_2lib 1 . 1 . 524 . 2 2 7 DG N1 N 11.466 31.296 19.064 . . . 1.0 . . . . . . . . . . . . B . 17 DG N1 . . . . . . . . . c17887_2lib 1 . 1 . 525 . 2 2 7 DG N2 N 10.934 30.326 21.020 . . . 1.0 . . . . . . . . . . . . B . 17 DG N2 . . . . . . . . . c17887_2lib 1 . 1 . 526 . 2 2 7 DG N3 N 9.200 31.150 19.805 . . . 1.0 . . . . . . . . . . . . B . 17 DG N3 . . . . . . . . . c17887_2lib 1 . 1 . 527 . 2 2 7 DG N7 N 9.169 32.776 16.563 . . . 1.0 . . . . . . . . . . . . B . 17 DG N7 . . . . . . . . . c17887_2lib 1 . 1 . 528 . 2 2 7 DG N9 N 7.668 32.069 18.087 . . . 1.0 . . . . . . . . . . . . B . 17 DG N9 . . . . . . . . . c17887_2lib 1 . 1 . 529 . 2 2 7 DG O3' O 3.479 32.066 19.683 . . . 1.0 . . . . . . . . . . . . B . 17 DG O3' . . . . . . . . . c17887_2lib 1 . 1 . 530 . 2 2 7 DG O4' O 5.697 30.871 17.688 . . . 1.0 . . . . . . . . . . . . B . 17 DG O4' . . . . . . . . . c17887_2lib 1 . 1 . 531 . 2 2 7 DG O5' O 4.495 32.537 15.411 . . . 1.0 . . . . . . . . . . . . B . 17 DG O5' . . . . . . . . . c17887_2lib 1 . 1 . 532 . 2 2 7 DG O6 O 12.158 32.209 17.149 . . . 1.0 . . . . . . . . . . . . B . 17 DG O6 . . . . . . . . . c17887_2lib 1 . 1 . 533 . 2 2 7 DG OP1 O 2.507 32.794 13.900 . . . 1.0 . . . . . . . . . . . . B . 17 DG OP1 . . . . . . . . . c17887_2lib 1 . 1 . 534 . 2 2 7 DG OP2 O 4.386 34.483 13.866 . . . 1.0 . . . . . . . . . . . . B . 17 DG OP2 . . . . . . . . . c17887_2lib 1 . 1 . 535 . 2 2 7 DG P P 3.959 33.071 13.980 . . . 1.0 . . . . . . . . . . . . B . 17 DG P . . . . . . . . . c17887_2lib 1 . 1 . 536 . 2 2 8 DG C1' C 8.111 34.494 22.018 . . . 1.0 . . . . . . . . . . . . B . 18 DG C1' . . . . . . . . . c17887_2lib 1 . 1 . 537 . 2 2 8 DG C2 C 12.364 33.987 20.822 . . . 1.0 . . . . . . . . . . . . B . 18 DG C2 . . . . . . . . . c17887_2lib 1 . 1 . 538 . 2 2 8 DG C2' C 7.126 35.606 22.399 . . . 1.0 . . . . . . . . . . . . B . 18 DG C2' . . . . . . . . . c17887_2lib 1 . 1 . 539 . 2 2 8 DG C3' C 6.279 34.898 23.451 . . . 1.0 . . . . . . . . . . . . B . 18 DG C3' . . . . . . . . . c17887_2lib 1 . 1 . 540 . 2 2 8 DG C4 C 10.196 34.545 20.529 . . . 1.0 . . . . . . . . . . . . B . 18 DG C4 . . . . . . . . . c17887_2lib 1 . 1 . 541 . 2 2 8 DG C4' C 6.238 33.473 22.877 . . . 1.0 . . . . . . . . . . . . B . 18 DG C4' . . . . . . . . . c17887_2lib 1 . 1 . 542 . 2 2 8 DG C5 C 10.412 35.045 19.262 . . . 1.0 . . . . . . . . . . . . B . 18 DG C5 . . . . . . . . . c17887_2lib 1 . 1 . 543 . 2 2 8 DG C5' C 4.874 32.938 22.411 . . . 1.0 . . . . . . . . . . . . B . 18 DG C5' . . . . . . . . . c17887_2lib 1 . 1 . 544 . 2 2 8 DG C6 C 11.751 35.050 18.748 . . . 1.0 . . . . . . . . . . . . B . 18 DG C6 . . . . . . . . . c17887_2lib 1 . 1 . 545 . 2 2 8 DG C8 C 8.323 35.210 19.595 . . . 1.0 . . . . . . . . . . . . B . 18 DG C8 . . . . . . . . . c17887_2lib 1 . 1 . 546 . 2 2 8 DG H1 H 13.642 34.486 19.310 . . . 1.0 . . . . . . . . . . . . B . 18 DG H1 . . . . . . . . . c17887_2lib 1 . 1 . 547 . 2 2 8 DG H1' H 8.842 34.291 22.808 . . . 1.0 . . . . . . . . . . . . B . 18 DG H1' . . . . . . . . . c17887_2lib 1 . 1 . 548 . 2 2 8 DG H2' H 6.494 35.874 21.552 . . . 1.0 . . . . . . . . . . . . B . 18 DG H2' . . . . . . . . . c17887_2lib 1 . 1 . 549 . 2 2 8 DG H2'' H 7.612 36.495 22.783 . . . 1.0 . . . . . . . . . . . . B . 18 DG H2'' . . . . . . . . . c17887_2lib 1 . 1 . 550 . 2 2 8 DG H21 H 14.294 33.475 21.116 . . . 1.0 . . . . . . . . . . . . B . 18 DG H21 . . . . . . . . . c17887_2lib 1 . 1 . 551 . 2 2 8 DG H22 H 13.169 33.017 22.381 . . . 1.0 . . . . . . . . . . . . B . 18 DG H22 . . . . . . . . . c17887_2lib 1 . 1 . 552 . 2 2 8 DG H3' H 5.280 35.329 23.534 . . . 1.0 . . . . . . . . . . . . B . 18 DG H3' . . . . . . . . . c17887_2lib 1 . 1 . 553 . 2 2 8 DG H4' H 6.528 32.798 23.673 . . . 1.0 . . . . . . . . . . . . B . 18 DG H4' . . . . . . . . . c17887_2lib 1 . 1 . 554 . 2 2 8 DG H5' H 5.069 31.978 21.941 . . . 1.0 . . . . . . . . . . . . B . 18 DG H5' . . . . . . . . . c17887_2lib 1 . 1 . 555 . 2 2 8 DG H5'' H 4.260 32.752 23.294 . . . 1.0 . . . . . . . . . . . . B . 18 DG H5'' . . . . . . . . . c17887_2lib 1 . 1 . 556 . 2 2 8 DG H8 H 7.253 35.329 19.481 . . . 1.0 . . . . . . . . . . . . B . 18 DG H8 . . . . . . . . . c17887_2lib 1 . 1 . 557 . 2 2 8 DG N1 N 12.675 34.488 19.603 . . . 1.0 . . . . . . . . . . . . B . 18 DG N1 . . . . . . . . . c17887_2lib 1 . 1 . 558 . 2 2 8 DG N2 N 13.348 33.447 21.491 . . . 1.0 . . . . . . . . . . . . B . 18 DG N2 . . . . . . . . . c17887_2lib 1 . 1 . 559 . 2 2 8 DG N3 N 11.140 33.994 21.366 . . . 1.0 . . . . . . . . . . . . B . 18 DG N3 . . . . . . . . . c17887_2lib 1 . 1 . 560 . 2 2 8 DG N7 N 9.208 35.442 18.664 . . . 1.0 . . . . . . . . . . . . B . 18 DG N7 . . . . . . . . . c17887_2lib 1 . 1 . 561 . 2 2 8 DG N9 N 8.846 34.731 20.763 . . . 1.0 . . . . . . . . . . . . B . 18 DG N9 . . . . . . . . . c17887_2lib 1 . 1 . 562 . 2 2 8 DG O3' O 6.971 34.892 24.697 . . . 1.0 . . . . . . . . . . . . B . 18 DG O3' . . . . . . . . . c17887_2lib 1 . 1 . 563 . 2 2 8 DG O4' O 7.231 33.390 21.857 . . . 1.0 . . . . . . . . . . . . B . 18 DG O4' . . . . . . . . . c17887_2lib 1 . 1 . 564 . 2 2 8 DG O5' O 4.132 33.747 21.504 . . . 1.0 . . . . . . . . . . . . B . 18 DG O5' . . . . . . . . . c17887_2lib 1 . 1 . 565 . 2 2 8 DG O6 O 12.139 35.484 17.665 . . . 1.0 . . . . . . . . . . . . B . 18 DG O6 . . . . . . . . . c17887_2lib 1 . 1 . 566 . 2 2 8 DG OP1 O 2.049 32.372 21.694 . . . 1.0 . . . . . . . . . . . . B . 18 DG OP1 . . . . . . . . . c17887_2lib 1 . 1 . 567 . 2 2 8 DG OP2 O 2.223 34.219 19.957 . . . 1.0 . . . . . . . . . . . . B . 18 DG OP2 . . . . . . . . . c17887_2lib 1 . 1 . 568 . 2 2 8 DG P P 2.865 33.131 20.720 . . . 1.0 . . . . . . . . . . . . B . 18 DG P . . . . . . . . . c17887_2lib 1 . 1 . 569 . 2 2 9 DA C1' C 11.687 35.979 25.615 . . . 1.0 . . . . . . . . . . . . B . 19 DA C1' . . . . . . . . . c17887_2lib 1 . 1 . 570 . 2 2 9 DA C2 C 14.242 36.620 22.182 . . . 1.0 . . . . . . . . . . . . B . 19 DA C2 . . . . . . . . . c17887_2lib 1 . 1 . 571 . 2 2 9 DA C2' C 11.596 37.097 26.644 . . . 1.0 . . . . . . . . . . . . B . 19 DA C2' . . . . . . . . . c17887_2lib 1 . 1 . 572 . 2 2 9 DA C3' C 10.939 36.473 27.865 . . . 1.0 . . . . . . . . . . . . B . 19 DA C3' . . . . . . . . . c17887_2lib 1 . 1 . 573 . 2 2 9 DA C4 C 12.297 36.648 23.257 . . . 1.0 . . . . . . . . . . . . B . 19 DA C4 . . . . . . . . . c17887_2lib 1 . 1 . 574 . 2 2 9 DA C4' C 10.307 35.197 27.294 . . . 1.0 . . . . . . . . . . . . B . 19 DA C4' . . . . . . . . . c17887_2lib 1 . 1 . 575 . 2 2 9 DA C5 C 11.617 37.240 22.226 . . . 1.0 . . . . . . . . . . . . B . 19 DA C5 . . . . . . . . . c17887_2lib 1 . 1 . 576 . 2 2 9 DA C5' C 8.767 35.223 27.322 . . . 1.0 . . . . . . . . . . . . B . 19 DA C5' . . . . . . . . . c17887_2lib 1 . 1 . 577 . 2 2 9 DA C6 C 12.427 37.482 21.093 . . . 1.0 . . . . . . . . . . . . B . 19 DA C6 . . . . . . . . . c17887_2lib 1 . 1 . 578 . 2 2 9 DA C8 C 10.227 37.065 23.813 . . . 1.0 . . . . . . . . . . . . B . 19 DA C8 . . . . . . . . . c17887_2lib 1 . 1 . 579 . 2 2 9 DA H1' H 12.693 35.549 25.638 . . . 1.0 . . . . . . . . . . . . B . 19 DA H1' . . . . . . . . . c17887_2lib 1 . 1 . 580 . 2 2 9 DA H2 H 15.304 36.426 22.163 . . . 1.0 . . . . . . . . . . . . B . 19 DA H2 . . . . . . . . . c17887_2lib 1 . 1 . 581 . 2 2 9 DA H2' H 10.970 37.913 26.287 . . . 1.0 . . . . . . . . . . . . B . 19 DA H2' . . . . . . . . . c17887_2lib 1 . 1 . 582 . 2 2 9 DA H2'' H 12.595 37.463 26.856 . . . 1.0 . . . . . . . . . . . . B . 19 DA H2'' . . . . . . . . . c17887_2lib 1 . 1 . 583 . 2 2 9 DA H3' H 10.124 37.121 28.191 . . . 1.0 . . . . . . . . . . . . B . 19 DA H3' . . . . . . . . . c17887_2lib 1 . 1 . 584 . 2 2 9 DA H4' H 10.661 34.353 27.884 . . . 1.0 . . . . . . . . . . . . B . 19 DA H4' . . . . . . . . . c17887_2lib 1 . 1 . 585 . 2 2 9 DA H5' H 8.422 34.235 27.022 . . . 1.0 . . . . . . . . . . . . B . 19 DA H5' . . . . . . . . . c17887_2lib 1 . 1 . 586 . 2 2 9 DA H5'' H 8.435 35.391 28.347 . . . 1.0 . . . . . . . . . . . . B . 19 DA H5'' . . . . . . . . . c17887_2lib 1 . 1 . 587 . 2 2 9 DA H61 H 12.679 38.093 19.198 . . . 1.0 . . . . . . . . . . . . B . 19 DA H61 . . . . . . . . . c17887_2lib 1 . 1 . 588 . 2 2 9 DA H62 H 11.040 38.218 19.806 . . . 1.0 . . . . . . . . . . . . B . 19 DA H62 . . . . . . . . . c17887_2lib 1 . 1 . 589 . 2 2 9 DA H8 H 9.379 37.189 24.473 . . . 1.0 . . . . . . . . . . . . B . 19 DA H8 . . . . . . . . . c17887_2lib 1 . 1 . 590 . 2 2 9 DA N1 N 13.723 37.174 21.094 . . . 1.0 . . . . . . . . . . . . B . 19 DA N1 . . . . . . . . . c17887_2lib 1 . 1 . 591 . 2 2 9 DA N3 N 13.614 36.302 23.310 . . . 1.0 . . . . . . . . . . . . B . 19 DA N3 . . . . . . . . . c17887_2lib 1 . 1 . 592 . 2 2 9 DA N6 N 12.012 37.998 19.954 . . . 1.0 . . . . . . . . . . . . B . 19 DA N6 . . . . . . . . . c17887_2lib 1 . 1 . 593 . 2 2 9 DA N7 N 10.278 37.502 22.578 . . . 1.0 . . . . . . . . . . . . B . 19 DA N7 . . . . . . . . . c17887_2lib 1 . 1 . 594 . 2 2 9 DA N9 N 11.389 36.499 24.268 . . . 1.0 . . . . . . . . . . . . B . 19 DA N9 . . . . . . . . . c17887_2lib 1 . 1 . 595 . 2 2 9 DA O3' O 11.891 36.189 28.888 . . . 1.0 . . . . . . . . . . . . B . 19 DA O3' . . . . . . . . . c17887_2lib 1 . 1 . 596 . 2 2 9 DA O4' O 10.734 34.996 25.955 . . . 1.0 . . . . . . . . . . . . B . 19 DA O4' . . . . . . . . . c17887_2lib 1 . 1 . 597 . 2 2 9 DA O5' O 8.182 36.217 26.474 . . . 1.0 . . . . . . . . . . . . B . 19 DA O5' . . . . . . . . . c17887_2lib 1 . 1 . 598 . 2 2 9 DA OP1 O 5.835 35.383 26.828 . . . 1.0 . . . . . . . . . . . . B . 19 DA OP1 . . . . . . . . . c17887_2lib 1 . 1 . 599 . 2 2 9 DA OP2 O 6.313 37.278 25.190 . . . 1.0 . . . . . . . . . . . . B . 19 DA OP2 . . . . . . . . . c17887_2lib 1 . 1 . 600 . 2 2 9 DA P P 6.727 36.003 25.822 . . . 1.0 . . . . . . . . . . . . B . 19 DA P . . . . . . . . . c17887_2lib 1 . 1 . 601 . 2 2 10 DC C1' C 15.323 39.464 25.585 . . . 1.0 . . . . . . . . . . . . B . 20 DC C1' . . . . . . . . . c17887_2lib 1 . 1 . 602 . 2 2 10 DC C2 C 14.719 39.902 23.210 . . . 1.0 . . . . . . . . . . . . B . 20 DC C2 . . . . . . . . . c17887_2lib 1 . 1 . 603 . 2 2 10 DC C2' C 15.152 40.644 26.560 . . . 1.0 . . . . . . . . . . . . B . 20 DC C2' . . . . . . . . . c17887_2lib 1 . 1 . 604 . 2 2 10 DC C3' C 15.625 40.104 27.917 . . . 1.0 . . . . . . . . . . . . B . 20 DC C3' . . . . . . . . . c17887_2lib 1 . 1 . 605 . 2 2 10 DC C4 C 12.587 40.600 22.707 . . . 1.0 . . . . . . . . . . . . B . 20 DC C4 . . . . . . . . . c17887_2lib 1 . 1 . 606 . 2 2 10 DC C4' C 15.608 38.576 27.690 . . . 1.0 . . . . . . . . . . . . B . 20 DC C4' . . . . . . . . . c17887_2lib 1 . 1 . 607 . 2 2 10 DC C5 C 12.122 40.303 24.019 . . . 1.0 . . . . . . . . . . . . B . 20 DC C5 . . . . . . . . . c17887_2lib 1 . 1 . 608 . 2 2 10 DC C5' C 14.844 37.758 28.747 . . . 1.0 . . . . . . . . . . . . B . 20 DC C5' . . . . . . . . . c17887_2lib 1 . 1 . 609 . 2 2 10 DC C6 C 13.007 39.763 24.883 . . . 1.0 . . . . . . . . . . . . B . 20 DC C6 . . . . . . . . . c17887_2lib 1 . 1 . 610 . 2 2 10 DC H1' H 16.334 39.430 25.138 . . . 1.0 . . . . . . . . . . . . B . 20 DC H1' . . . . . . . . . c17887_2lib 1 . 1 . 611 . 2 2 10 DC H2' H 14.119 40.986 26.638 . . . 1.0 . . . . . . . . . . . . B . 20 DC H2' . . . . . . . . . c17887_2lib 1 . 1 . 612 . 2 2 10 DC H2'' H 15.701 41.500 26.187 . . . 1.0 . . . . . . . . . . . . B . 20 DC H2'' . . . . . . . . . c17887_2lib 1 . 1 . 613 . 2 2 10 DC H3' H 14.985 40.407 28.770 . . . 1.0 . . . . . . . . . . . . B . 20 DC H3' . . . . . . . . . c17887_2lib 1 . 1 . 614 . 2 2 10 DC H4' H 16.644 38.233 27.703 . . . 1.0 . . . . . . . . . . . . B . 20 DC H4' . . . . . . . . . c17887_2lib 1 . 1 . 615 . 2 2 10 DC H41 H 12.198 41.219 20.879 . . . 1.0 . . . . . . . . . . . . B . 20 DC H41 . . . . . . . . . c17887_2lib 1 . 1 . 616 . 2 2 10 DC H42 H 10.857 41.376 22.024 . . . 1.0 . . . . . . . . . . . . B . 20 DC H42 . . . . . . . . . c17887_2lib 1 . 1 . 617 . 2 2 10 DC H5 H 11.130 40.482 24.376 . . . 1.0 . . . . . . . . . . . . B . 20 DC H5 . . . . . . . . . c17887_2lib 1 . 1 . 618 . 2 2 10 DC H5' H 14.815 36.722 28.407 . . . 1.0 . . . . . . . . . . . . B . 20 DC H5' . . . . . . . . . c17887_2lib 1 . 1 . 619 . 2 2 10 DC H5'' H 15.404 37.803 29.681 . . . 1.0 . . . . . . . . . . . . B . 20 DC H5'' . . . . . . . . . c17887_2lib 1 . 1 . 620 . 2 2 10 DC H6 H 12.738 39.494 25.905 . . . 1.0 . . . . . . . . . . . . B . 20 DC H6 . . . . . . . . . c17887_2lib 1 . 1 . 621 . 2 2 10 DC HO3' H 16.896 41.586 28.049 . . . 1.0 . . . . . . . . . . . . B . 20 DC HO3' . . . . . . . . . c17887_2lib 1 . 1 . 622 . 2 2 10 DC N1 N 14.311 39.592 24.513 . . . 1.0 . . . . . . . . . . . . B . 20 DC N1 . . . . . . . . . c17887_2lib 1 . 1 . 623 . 2 2 10 DC N3 N 13.828 40.392 22.316 . . . 1.0 . . . . . . . . . . . . B . 20 DC N3 . . . . . . . . . c17887_2lib 1 . 1 . 624 . 2 2 10 DC N4 N 11.801 41.098 21.799 . . . 1.0 . . . . . . . . . . . . B . 20 DC N4 . . . . . . . . . c17887_2lib 1 . 1 . 625 . 2 2 10 DC O2 O 15.892 39.778 22.851 . . . 1.0 . . . . . . . . . . . . B . 20 DC O2 . . . . . . . . . c17887_2lib 1 . 1 . 626 . 2 2 10 DC O3' O 16.943 40.610 28.112 . . . 1.0 . . . . . . . . . . . . B . 20 DC O3' . . . . . . . . . c17887_2lib 1 . 1 . 627 . 2 2 10 DC O4' O 15.091 38.319 26.385 . . . 1.0 . . . . . . . . . . . . B . 20 DC O4' . . . . . . . . . c17887_2lib 1 . 1 . 628 . 2 2 10 DC O5' O 13.515 38.202 28.996 . . . 1.0 . . . . . . . . . . . . B . 20 DC O5' . . . . . . . . . c17887_2lib 1 . 1 . 629 . 2 2 10 DC OP1 O 13.189 36.637 30.943 . . . 1.0 . . . . . . . . . . . . B . 20 DC OP1 . . . . . . . . . c17887_2lib 1 . 1 . 630 . 2 2 10 DC OP2 O 11.347 38.239 30.181 . . . 1.0 . . . . . . . . . . . . B . 20 DC OP2 . . . . . . . . . c17887_2lib 1 . 1 . 631 . 2 2 10 DC P P 12.469 37.333 29.849 . . . 1.0 . . . . . . . . . . . . B . 20 DC P . . . . . . . . . c17887_2lib 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 c17887_2lib _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 2lib.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c17887_2lib 1 1 2lib.mr . . AMBER 2 'dihedral angle' 'Not applicable' 'Not applicable' 181 c17887_2lib 1 1 2lib.mr . . AMBER 3 distance NOE simple 246 c17887_2lib 1 1 2lib.mr . . AMBER 4 distance 'hydrogen bond' simple 25 c17887_2lib 1 1 2lib.mr . . AMBER 5 distance NOE simple 27 c17887_2lib 1 1 2lib.mr . . AMBER 6 'dipolar coupling' 'Not applicable' 'Not applicable' 46 c17887_2lib 1 1 2lib.mr . . 'MR format' 7 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c17887_2lib 1 stop_ save_ save_AMBER_distance_constraints_3 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode AMBER_distance_constraints_3 _Gen_dist_constraint_list.Entry_ID c17887_2lib _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 . . . . c17887_2lib 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 1 1 DG H8 H . . . 1 1 1 1 DG H2' H . . . . . 3.03 2.84 5.03 . . . . . A . 1 DG H8 . . A . 1 DG H2' . . . 1 . H8 . . . . . 1 . H2''2 . . c17887_2lib 1 2 1 . . 1 1 1 1 DG H8 H . . . 1 1 2 2 DT H6 H . . . . . 6.23 4.89 8.23 . . . . . A . 1 DG H8 . . A . 2 DT H6 . . . 1 . H8 . . . . . 2 . H6 . . c17887_2lib 1 3 1 . . 1 1 2 2 DT H6 H . . . 1 1 1 1 DG H2' H . . . . . 3.17 2.89 5.17 . . . . . A . 2 DT H6 . . A . 1 DG H2' . . . 2 . H6 . . . . . 1 . H2''2 . . c17887_2lib 1 4 1 . . 1 1 2 2 DT H6 H . . . 1 1 2 2 DT H1' H . . . . . 3.84 3.40 5.84 . . . . . A . 2 DT H6 . . A . 2 DT H1' . . . 2 . H6 . . . . . 2 . H1'' . . c17887_2lib 1 5 1 . . 1 1 1 1 DG H8 H . . . 1 1 2 2 DT M7 H . . . . . 4.63 4.35 6.63 . . . . . A . 1 DG H8 . . A . 2 DT M7 . 2lib_ambr001 . 1 THY H8 . . . 2lib_ambr001 . 2 THY H71 . . c17887_2lib 1 6 1 . . 1 1 2 2 DT M7 H . . . 1 1 1 1 DG H2'' H . . . . . 3.76 3.36 5.76 . . . . . A . 2 DT M7 . . A . 1 DG H2'' . 2lib_ambr001 . 2 THY H71 . . . 2lib_ambr001 . 1 THY H2'2 . . c17887_2lib 1 7 1 . . 1 1 2 2 DT H1' H . . . 1 1 2 2 DT H3' H . . . . . 4.63 3.73 6.63 . . . . . A . 2 DT H1' . . A . 2 DT H3' . . . 2 . H1'' . . . . . 2 . H3'' . . c17887_2lib 1 8 1 . . 1 1 2 2 DT H6 H . . . 1 1 2 2 DT H3' H . . . . . 4.20 3.37 6.20 . . . . . A . 2 DT H6 . . A . 2 DT H3' . . . 2 . H6 . . . . . 2 . H3'' . . c17887_2lib 1 9 1 . . 1 1 2 2 DT H1' H . . . 1 1 2 2 DT H2' H . . . . . 3.15 2.72 5.15 . . . . . A . 2 DT H1' . . A . 2 DT H2' . . . 2 . H1'' . . . . . 2 . H2''1 . . c17887_2lib 1 10 1 . . 1 1 2 2 DT H3' H . . . 1 1 2 2 DT H2' H . . . . . 2.35 2.16 4.35 . . . . . A . 2 DT H3' . . A . 2 DT H2' . . . 2 . H3'' . . . . . 2 . H2''1 . . c17887_2lib 1 11 1 . . 1 1 2 2 DT H6 H . . . 1 1 2 2 DT H2'' H . . . . . 3.84 2.85 5.84 . . . . . A . 2 DT H6 . . A . 2 DT H2'' . . . 2 . H6 . . . . . 2 . H2''2 . . c17887_2lib 1 12 1 . . 1 1 2 2 DT H3' H . . . 1 1 2 2 DT H2'' H . . . . . 2.91 2.65 4.91 . . . . . A . 2 DT H3' . . A . 2 DT H2'' . . . 2 . H3'' . . . . . 2 . H2''2 . . c17887_2lib 1 13 1 . . 1 1 2 2 DT H1' H . . . 1 1 3 3 DC H6 H . . . . . 4.44 3.66 6.44 . . . . . A . 2 DT H1' . . A . 3 DC H6 . . . 2 . H1'' . . . . . 3 . H6 . . c17887_2lib 1 14 1 . . 1 1 5 5 A3A H3' H . . . 1 1 5 5 A3A H8A H . . . . . 4.43 3.81 6.43 . . . . . A . 5 A3A H3' . . A . 5 A3A H8A . . . 5 . H3'' . . . . . 5 . H8 . . c17887_2lib 1 15 1 . . 1 1 5 5 A3A H8A H . . . 1 1 6 6 DG H4' H . . . . . 5.23 4.05 7.23 . . . . . A . 5 A3A H8A . . A . 6 DG H4' . . . 5 . H8 . . . . . 6 . H4'' . . c17887_2lib 1 16 1 . . 1 1 6 6 DG H4' H . . . 1 1 6 6 DG H1' H . . . . . 3.30 3.08 5.30 . . . . . A . 6 DG H4' . . A . 6 DG H1' . . . 6 . H4'' . . . . . 6 . H1'' . . c17887_2lib 1 17 1 . . 1 1 5 5 A3A H8A H . . . 1 1 6 6 DG H8 H . . . . . 3.99 3.68 5.99 . . . . . A . 5 A3A H8A . . A . 6 DG H8 . . . 5 . H8 . . . . . 6 . H8 . . c17887_2lib 1 18 1 . . 1 1 5 5 A3A H3' H . . . 1 1 6 6 DG H8 H . . . . . 5.31 4.04 7.31 . . . . . A . 5 A3A H3' . . A . 6 DG H8 . . . 5 . H3'' . . . . . 6 . H8 . . c17887_2lib 1 19 1 . . 1 1 6 6 DG H4' H . . . 1 1 6 6 DG H8 H . . . . . 5.30 4.38 7.30 . . . . . A . 6 DG H4' . . A . 6 DG H8 . . . 6 . H4'' . . . . . 6 . H8 . . c17887_2lib 1 20 1 . . 1 1 6 6 DG H1' H . . . 1 1 6 6 DG H8 H . . . . . 4.72 3.65 6.72 . . . . . A . 6 DG H1' . . A . 6 DG H8 . . . 6 . H1'' . . . . . 6 . H8 . . c17887_2lib 1 21 1 . . 1 1 6 6 DG H8 H . . . 1 1 6 6 DG H3' H . . . . . 5.28 3.96 7.28 . . . . . A . 6 DG H8 . . A . 6 DG H3' . . . 6 . H8 . . . . . 6 . H3'' . . c17887_2lib 1 22 1 . . 1 1 6 6 DG H4' H . . . 1 1 6 6 DG H2' H . . . . . 4.20 3.38 6.20 . . . . . A . 6 DG H4' . . A . 6 DG H2' . . . 6 . H4'' . . . . . 6 . H2''1 . . c17887_2lib 1 23 1 . . 1 1 6 6 DG H8 H . . . 1 1 6 6 DG H2' H . . . . . 2.47 2.32 4.47 . . . . . A . 6 DG H8 . . A . 6 DG H2' . . . 6 . H8 . . . . . 6 . H2''1 . . c17887_2lib 1 24 1 . . 1 1 6 6 DG H3' H . . . 1 1 6 6 DG H2' H . . . . . 2.41 1.91 4.41 . . . . . A . 6 DG H3' . . A . 6 DG H2' . . . 6 . H3'' . . . . . 6 . H2''1 . . c17887_2lib 1 25 1 . . 1 1 6 6 DG H1' H . . . 1 1 6 6 DG H2' H . . . . . 2.29 2.15 4.29 . . . . . A . 6 DG H1' . . A . 6 DG H2' . . . 6 . H1'' . . . . . 6 . H2''2 . . c17887_2lib 1 26 1 . . 1 1 6 6 DG H8 H . . . 1 1 6 6 DG H2' H . . . . . 4.16 2.91 6.16 . . . . . A . 6 DG H8 . . A . 6 DG H2' . . . 6 . H8 . . . . . 6 . H2''2 . . c17887_2lib 1 27 1 . . 1 1 6 6 DG H3' H . . . 1 1 6 6 DG H2' H . . . . . 3.05 2.54 5.05 . . . . . A . 6 DG H3' . . A . 6 DG H2' . . . 6 . H3'' . . . . . 6 . H2''2 . . c17887_2lib 1 28 1 . . 1 1 6 6 DG H1' H . . . 1 1 7 7 DG H8 H . . . . . 4.94 4.07 6.94 . . . . . A . 6 DG H1' . . A . 7 DG H8 . . . 6 . H1'' . . . . . 7 . H8 . . c17887_2lib 1 29 1 . . 1 1 6 6 DG H8 H . . . 1 1 7 7 DG H8 H . . . . . 6.09 4.72 8.09 . . . . . A . 6 DG H8 . . A . 7 DG H8 . . . 6 . H8 . . . . . 7 . H8 . . c17887_2lib 1 30 1 . . 1 1 6 6 DG H3' H . . . 1 1 7 7 DG H8 H . . . . . 5.28 3.99 7.28 . . . . . A . 6 DG H3' . . A . 7 DG H8 . . . 6 . H3'' . . . . . 7 . H8 . . c17887_2lib 1 31 1 . . 1 1 6 6 DG H2' H . . . 1 1 7 7 DG H8 H . . . . . 4.39 3.53 6.39 . . . . . A . 6 DG H2' . . A . 7 DG H8 . . . 6 . H2''1 . . . . . 7 . H8 . . c17887_2lib 1 32 1 . . 1 1 7 7 DG H8 H . . . 1 1 7 7 DG H3' H . . . . . 5.50 3.99 7.50 . . . . . A . 7 DG H8 . . A . 7 DG H3' . . . 7 . H8 . . . . . 7 . H3'' . . c17887_2lib 1 33 1 . . 1 1 7 7 DG H8 H . . . 1 1 7 7 DG H2' H . . . . . 2.47 2.30 4.47 . . . . . A . 7 DG H8 . . A . 7 DG H2' . . . 7 . H8 . . . . . 7 . H2''1 . . c17887_2lib 1 34 1 . . 1 1 7 7 DG H8 H . . . 1 1 8 8 DA H8 H . . . . . 6.13 4.66 8.13 . . . . . A . 7 DG H8 . . A . 8 DA H8 . . . 7 . H8 . . . . . 8 . H8 . . c17887_2lib 1 35 1 . . 1 1 7 7 DG H3' H . . . 1 1 8 8 DA H8 H . . . . . 4.90 4.03 6.90 . . . . . A . 7 DG H3' . . A . 8 DA H8 . . . 7 . H3'' . . . . . 8 . H8 . . c17887_2lib 1 36 1 . . 1 1 7 7 DG H2' H . . . 1 1 8 8 DA H8 H . . . . . 4.12 3.15 6.12 . . . . . A . 7 DG H2' . . A . 8 DA H8 . . . 7 . H2''1 . . . . . 8 . H8 . . c17887_2lib 1 37 1 . . 1 1 8 8 DA H8 H . . . 1 1 8 8 DA H1' H . . . . . 4.37 3.61 6.37 . . . . . A . 8 DA H8 . . A . 8 DA H1' . . . 8 . H8 . . . . . 8 . H1'' . . c17887_2lib 1 38 1 . . 1 1 8 8 DA H1' H . . . 1 1 8 8 DA H3' H . . . . . 5.13 4.16 7.13 . . . . . A . 8 DA H1' . . A . 8 DA H3' . . . 8 . H1'' . . . . . 8 . H3'' . . c17887_2lib 1 39 1 . . 1 1 8 8 DA H8 H . . . 1 1 8 8 DA H3' H . . . . . 5.36 3.73 7.36 . . . . . A . 8 DA H8 . . A . 8 DA H3' . . . 8 . H8 . . . . . 8 . H3'' . . c17887_2lib 1 40 1 . . 1 1 8 8 DA H8 H . . . 1 1 8 8 DA H2' H . . . . . 2.31 2.19 4.31 . . . . . A . 8 DA H8 . . A . 8 DA H2' . . . 8 . H8 . . . . . 8 . H2''1 . . c17887_2lib 1 41 1 . . 1 1 8 8 DA H3' H . . . 1 1 8 8 DA H2' H . . . . . 2.33 2.17 4.33 . . . . . A . 8 DA H3' . . A . 8 DA H2' . . . 8 . H3'' . . . . . 8 . H2''1 . . c17887_2lib 1 42 1 . . 1 1 8 8 DA H8 H . . . 1 1 8 8 DA H2' H . . . . . 4.51 3.11 6.51 . . . . . A . 8 DA H8 . . A . 8 DA H2' . . . 8 . H8 . . . . . 8 . H2''2 . . c17887_2lib 1 43 1 . . 1 1 8 8 DA H1' H . . . 1 1 9 9 DC H6 H . . . . . 4.05 3.43 6.05 . . . . . A . 8 DA H1' . . A . 9 DC H6 . . . 8 . H1'' . . . . . 9 . H6 . . c17887_2lib 1 44 1 . . 1 1 8 8 DA H8 H . . . 1 1 9 9 DC H6 H . . . . . 5.63 4.23 7.63 . . . . . A . 8 DA H8 . . A . 9 DC H6 . . . 8 . H8 . . . . . 9 . H6 . . c17887_2lib 1 45 1 . . 1 1 8 8 DA H3' H . . . 1 1 9 9 DC H6 H . . . . . 4.21 3.65 6.21 . . . . . A . 8 DA H3' . . A . 9 DC H6 . . . 8 . H3'' . . . . . 9 . H6 . . c17887_2lib 1 46 1 . . 1 1 8 8 DA H2' H . . . 1 1 9 9 DC H6 H . . . . . 3.66 3.05 5.66 . . . . . A . 8 DA H2' . . A . 9 DC H6 . . . 8 . H2''1 . . . . . 9 . H6 . . c17887_2lib 1 47 1 . . 1 1 8 8 DA H2' H . . . 1 1 9 9 DC H6 H . . . . . 2.50 2.35 4.50 . . . . . A . 8 DA H2' . . A . 9 DC H6 . . . 8 . H2''2 . . . . . 9 . H6 . . c17887_2lib 1 48 1 . . 1 1 8 8 DA H1' H . . . 1 1 9 9 DC H5 H . . . . . 6.16 4.50 8.16 . . . . . A . 8 DA H1' . . A . 9 DC H5 . . . 8 . H1'' . . . . . 9 . H5 . . c17887_2lib 1 49 1 . . 1 1 8 8 DA H8 H . . . 1 1 9 9 DC H5 H . . . . . 3.73 3.39 5.73 . . . . . A . 8 DA H8 . . A . 9 DC H5 . . . 8 . H8 . . . . . 9 . H5 . . c17887_2lib 1 50 1 . . 1 1 8 8 DA H2' H . . . 1 1 9 9 DC H5 H . . . . . 4.11 3.16 6.11 . . . . . A . 8 DA H2' . . A . 9 DC H5 . . . 8 . H2''1 . . . . . 9 . H5 . . c17887_2lib 1 51 1 . . 1 1 8 8 DA H2' H . . . 1 1 9 9 DC H5 H . . . . . 4.38 3.19 6.38 . . . . . A . 8 DA H2' . . A . 9 DC H5 . . . 8 . H2''2 . . . . . 9 . H5 . . c17887_2lib 1 52 1 . . 1 1 9 9 DC H6 H . . . 1 1 9 9 DC H3' H . . . . . 4.13 3.25 6.13 . . . . . A . 9 DC H6 . . A . 9 DC H3' . . . 9 . H6 . . . . . 9 . H3'' . . c17887_2lib 1 53 1 . . 1 1 9 9 DC H6 H . . . 1 1 9 9 DC H2' H . . . . . 2.25 2.11 4.25 . . . . . A . 9 DC H6 . . A . 9 DC H2' . . . 9 . H6 . . . . . 9 . H2''1 . . c17887_2lib 1 54 1 . . 1 1 9 9 DC H5 H . . . 1 1 9 9 DC H2' H . . . . . 4.88 3.82 6.88 . . . . . A . 9 DC H5 . . A . 9 DC H2' . . . 9 . H5 . . . . . 9 . H2''1 . . c17887_2lib 1 55 1 . . 1 1 9 9 DC H3' H . . . 1 1 9 9 DC H2' H . . . . . 2.81 2.41 4.81 . . . . . A . 9 DC H3' . . A . 9 DC H2' . . . 9 . H3'' . . . . . 9 . H2''1 . . c17887_2lib 1 56 1 . . 1 1 9 9 DC H6 H . . . 1 1 9 9 DC H2' H . . . . . 4.49 3.37 6.49 . . . . . A . 9 DC H6 . . A . 9 DC H2' . . . 9 . H6 . . . . . 9 . H2''2 . . c17887_2lib 1 57 1 . . 1 1 9 9 DC H6 H . . . 1 1 10 10 DG H8 H . . . . . 5.42 4.42 7.42 . . . . . A . 9 DC H6 . . A . 10 DG H8 . . . 9 . H6 . . . . . 10 . H8 . . c17887_2lib 1 58 1 . . 1 1 9 9 DC H3' H . . . 1 1 10 10 DG H8 H . . . . . 4.86 4.18 6.86 . . . . . A . 9 DC H3' . . A . 10 DG H8 . . . 9 . H3'' . . . . . 10 . H8 . . c17887_2lib 1 59 1 . . 1 1 9 9 DC H2' H . . . 1 1 10 10 DG H8 H . . . . . 3.69 3.30 5.69 . . . . . A . 9 DC H2' . . A . 10 DG H8 . . . 9 . H2''1 . . . . . 10 . H8 . . c17887_2lib 1 60 1 . . 1 1 9 9 DC H2' H . . . 1 1 10 10 DG H8 H . . . . . 3.85 3.36 5.85 . . . . . A . 9 DC H2' . . A . 10 DG H8 . . . 9 . H2''2 . . . . . 10 . H8 . . c17887_2lib 1 61 1 . . 1 1 10 10 DG H8 H . . . 1 1 10 10 DG H1' H . . . . . 4.29 3.65 6.29 . . . . . A . 10 DG H8 . . A . 10 DG H1' . . . 10 . H8 . . . . . 10 . H1'' . . c17887_2lib 1 62 1 . . 1 1 10 10 DG H1' H . . . 1 1 10 10 DG H3' H . . . . . 4.92 4.09 6.92 . . . . . A . 10 DG H1' . . A . 10 DG H3' . . . 10 . H1'' . . . . . 10 . H3'' . . c17887_2lib 1 63 1 . . 1 1 10 10 DG H8 H . . . 1 1 10 10 DG H3' H . . . . . 4.28 3.51 6.28 . . . . . A . 10 DG H8 . . A . 10 DG H3' . . . 10 . H8 . . . . . 10 . H3'' . . c17887_2lib 1 64 1 . . 1 1 10 10 DG H1' H . . . 1 1 10 10 DG H2' H . . . . . 3.49 2.69 5.49 . . . . . A . 10 DG H1' . . A . 10 DG H2' . . . 10 . H1'' . . . . . 10 . H2''1 . . c17887_2lib 1 65 1 . . 1 1 10 10 DG H8 H . . . 1 1 10 10 DG H2' H . . . . . 2.45 2.33 4.45 . . . . . A . 10 DG H8 . . A . 10 DG H2' . . . 10 . H8 . . . . . 10 . H2''1 . . c17887_2lib 1 66 1 . . 1 1 10 10 DG H3' H . . . 1 1 10 10 DG H2' H . . . . . 2.61 2.44 4.61 . . . . . A . 10 DG H3' . . A . 10 DG H2' . . . 10 . H3'' . . . . . 10 . H2''1 . . c17887_2lib 1 67 1 . . 2 2 1 1 DC H3' H . . . 2 2 1 1 DC H6 H . . . . . 4.19 3.43 6.19 . . . . . B . 11 DC H3' . . B . 11 DC H6 . . . 11 . H3'' . . . . . 11 . H6 . . c17887_2lib 1 68 1 . . 2 2 1 1 DC H6 H . . . 2 2 1 1 DC H2' H . . . . . 2.41 2.31 4.41 . . . . . B . 11 DC H6 . . B . 11 DC H2' . . . 11 . H6 . . . . . 11 . H2''1 . . c17887_2lib 1 69 1 . . 2 2 1 1 DC H3' H . . . 2 2 2 2 DG H8 H . . . . . 4.20 3.69 6.20 . . . . . B . 11 DC H3' . . B . 12 DG H8 . . . 11 . H3'' . . . . . 12 . H8 . . c17887_2lib 1 70 1 . . 2 2 1 1 DC H2' H . . . 2 2 2 2 DG H8 H . . . . . 3.65 3.26 5.65 . . . . . B . 11 DC H2' . . B . 12 DG H8 . . . 11 . H2''1 . . . . . 12 . H8 . . c17887_2lib 1 71 1 . . 2 2 2 2 DG H3' H . . . 2 2 2 2 DG H1' H . . . . . 4.41 3.73 6.41 . . . . . B . 12 DG H3' . . B . 12 DG H1' . . . 12 . H3'' . . . . . 12 . H1'' . . c17887_2lib 1 72 1 . . 2 2 2 2 DG H8 H . . . 2 2 2 2 DG H3' H . . . . . 4.91 3.92 6.91 . . . . . B . 12 DG H8 . . B . 12 DG H3' . . . 12 . H8 . . . . . 12 . H3'' . . c17887_2lib 1 73 1 . . 2 2 2 2 DG H8 H . . . 2 2 2 2 DG H2' H . . . . . 2.45 2.31 4.45 . . . . . B . 12 DG H8 . . B . 12 DG H2' . . . 12 . H8 . . . . . 12 . H2''1 . . c17887_2lib 1 74 1 . . 2 2 2 2 DG H8 H . . . 2 2 2 2 DG H2' H . . . . . 4.59 3.23 6.59 . . . . . B . 12 DG H8 . . B . 12 DG H2' . . . 12 . H8 . . . . . 12 . H2''2 . . c17887_2lib 1 75 1 . . 2 2 2 2 DG H1' H . . . 2 2 3 3 DT H6 H . . . . . 3.53 3.21 5.53 . . . . . B . 12 DG H1' . . B . 13 DT H6 . . . 12 . H1'' . . . . . 13 . H6 . . c17887_2lib 1 76 1 . . 2 2 2 2 DG H8 H . . . 2 2 3 3 DT H6 H . . . . . 5.66 4.31 7.66 . . . . . B . 12 DG H8 . . B . 13 DT H6 . . . 12 . H8 . . . . . 13 . H6 . . c17887_2lib 1 77 1 . . 2 2 2 2 DG H3' H . . . 2 2 3 3 DT H6 H . . . . . 5.20 3.76 7.20 . . . . . B . 12 DG H3' . . B . 13 DT H6 . . . 12 . H3'' . . . . . 13 . H6 . . c17887_2lib 1 78 1 . . 2 2 2 2 DG H2' H . . . 2 2 3 3 DT H6 H . . . . . 3.83 3.16 5.83 . . . . . B . 12 DG H2' . . B . 13 DT H6 . . . 12 . H2''1 . . . . . 13 . H6 . . c17887_2lib 1 79 1 . . 2 2 3 3 DT H6 H . . . 2 2 3 3 DT H1' H . . . . . 3.95 3.23 5.95 . . . . . B . 13 DT H6 . . B . 13 DT H1' . . . 13 . H6 . . . . . 13 . H1'' . . c17887_2lib 1 80 1 . . 2 2 2 2 DG H1' H . . . 2 2 3 3 DT M7 H . . . . . 4.77 4.19 6.77 . . . . . B . 12 DG H1' . . B . 13 DT M7 . 2lib_ambr002 . 2 THY H1' . . . 2lib_ambr002 . 3 THY H71 . . c17887_2lib 1 81 1 . . 2 2 2 2 DG H8 H . . . 2 2 3 3 DT M7 H . . . . . 4.03 3.81 6.03 . . . . . B . 12 DG H8 . . B . 13 DT M7 . 2lib_ambr002 . 2 THY H8 . . . 2lib_ambr002 . 3 THY H71 . . c17887_2lib 1 82 1 . . 2 2 2 2 DG H3' H . . . 2 2 3 3 DT M7 H . . . . . 5.69 4.66 7.69 . . . . . B . 12 DG H3' . . B . 13 DT M7 . 2lib_ambr002 . 2 THY H3' . . . 2lib_ambr002 . 3 THY H71 . . c17887_2lib 1 83 1 . . 2 2 2 2 DG H2' H . . . 2 2 3 3 DT M7 H . . . . . 3.82 3.39 5.82 . . . . . B . 12 DG H2' . . B . 13 DT M7 . 2lib_ambr002 . 2 THY H2'1 . . . 2lib_ambr002 . 3 THY H71 . . c17887_2lib 1 84 1 . . 2 2 3 3 DT M7 H . . . 2 2 2 2 DG H2'' H . . . . . 3.74 3.43 5.74 . . . . . B . 13 DT M7 . . B . 12 DG H2'' . 2lib_ambr002 . 3 THY H71 . . . 2lib_ambr002 . 2 THY H2'2 . . c17887_2lib 1 85 1 . . 2 2 3 3 DT H1' H . . . 2 2 3 3 DT H3' H . . . . . 4.79 3.47 6.79 . . . . . B . 13 DT H1' . . B . 13 DT H3' . . . 13 . H1'' . . . . . 13 . H3'' . . c17887_2lib 1 86 1 . . 2 2 3 3 DT H6 H . . . 2 2 3 3 DT H3' H . . . . . 4.92 3.39 6.92 . . . . . B . 13 DT H6 . . B . 13 DT H3' . . . 13 . H6 . . . . . 13 . H3'' . . c17887_2lib 1 87 1 . . 2 2 3 3 DT H1' H . . . 2 2 3 3 DT H2' H . . . . . 3.29 2.84 5.29 . . . . . B . 13 DT H1' . . B . 13 DT H2' . . . 13 . H1'' . . . . . 13 . H2''1 . . c17887_2lib 1 88 1 . . 2 2 3 3 DT H6 H . . . 2 2 3 3 DT H2' H . . . . . 2.14 1.98 4.14 . . . . . B . 13 DT H6 . . B . 13 DT H2' . . . 13 . H6 . . . . . 13 . H2''1 . . c17887_2lib 1 89 1 . . 2 2 3 3 DT H3' H . . . 2 2 3 3 DT H2' H . . . . . 2.33 2.13 4.33 . . . . . B . 13 DT H3' . . B . 13 DT H2' . . . 13 . H3'' . . . . . 13 . H2''1 . . c17887_2lib 1 90 1 . . 2 2 3 3 DT H1' H . . . 2 2 4 4 DC H6 H . . . . . 4.74 3.89 6.74 . . . . . B . 13 DT H1' . . B . 14 DC H6 . . . 13 . H1'' . . . . . 14 . H6 . . c17887_2lib 1 91 1 . . 2 2 3 3 DT H6 H . . . 2 2 4 4 DC H6 H . . . . . 6.40 4.29 8.40 . . . . . B . 13 DT H6 . . B . 14 DC H6 . . . 13 . H6 . . . . . 14 . H6 . . c17887_2lib 1 92 1 . . 2 2 4 4 DC H6 H . . . 2 2 4 4 DC H3' H . . . . . 3.88 3.16 5.88 . . . . . B . 14 DC H6 . . B . 14 DC H3' . . . 14 . H6 . . . . . 14 . H3'' . . c17887_2lib 1 93 1 . . 2 2 4 4 DC H3' H . . . 2 2 4 4 DC H2' H . . . . . 3.52 2.98 5.52 . . . . . B . 14 DC H3' . . B . 14 DC H2' . . . 14 . H3'' . . . . . 14 . H2''2 . . c17887_2lib 1 94 1 . . 2 2 4 4 DC H3' H . . . 2 2 5 5 DC H6 H . . . . . 4.49 3.52 6.49 . . . . . B . 14 DC H3' . . B . 15 DC H6 . . . 14 . H3'' . . . . . 15 . H6 . . c17887_2lib 1 95 1 . . 2 2 5 5 DC H6 H . . . 2 2 4 4 DC H2' H . . . . . 2.68 2.47 4.68 . . . . . B . 15 DC H6 . . B . 14 DC H2' . . . 15 . H6 . . . . . 14 . H2''2 . . c17887_2lib 1 96 1 . . 2 2 5 5 DC H6 H . . . 2 2 5 5 DC H2' H . . . . . 2.31 2.18 4.31 . . . . . B . 15 DC H6 . . B . 15 DC H2' . . . 15 . H6 . . . . . 15 . H2''1 . . c17887_2lib 1 97 1 . . 2 2 5 5 DC H2' H . . . 2 2 6 6 DT H6 H . . . . . 2.94 2.61 4.94 . . . . . B . 15 DC H2' . . B . 16 DT H6 . . . 15 . H2''1 . . . . . 16 . H6 . . c17887_2lib 1 98 1 . . 2 2 5 5 DC H2' H . . . 2 2 6 6 DT H6 H . . . . . 2.75 2.52 4.75 . . . . . B . 15 DC H2' . . B . 16 DT H6 . . . 15 . H2''2 . . . . . 16 . H6 . . c17887_2lib 1 99 1 . . 2 2 6 6 DT H6 H . . . 2 2 6 6 DT H1' H . . . . . 3.96 3.24 5.96 . . . . . B . 16 DT H6 . . B . 16 DT H1' . . . 16 . H6 . . . . . 16 . H1'' . . c17887_2lib 1 100 1 . . 2 2 5 5 DC H6 H . . . 2 2 6 6 DT M7 H . . . . . 4.07 3.75 6.07 . . . . . B . 15 DC H6 . . B . 16 DT M7 . 2lib_ambr002 . 5 THY H6 . . . 2lib_ambr002 . 6 THY H71 . . c17887_2lib 1 101 1 . . 2 2 6 6 DT H1' H . . . 2 2 6 6 DT H3' H . . . . . 4.62 3.61 6.62 . . . . . B . 16 DT H1' . . B . 16 DT H3' . . . 16 . H1'' . . . . . 16 . H3'' . . c17887_2lib 1 102 1 . . 2 2 6 6 DT H6 H . . . 2 2 6 6 DT H3' H . . . . . 5.50 3.88 7.50 . . . . . B . 16 DT H6 . . B . 16 DT H3' . . . 16 . H6 . . . . . 16 . H3'' . . c17887_2lib 1 103 1 . . 2 2 6 6 DT H1' H . . . 2 2 6 6 DT H2' H . . . . . 3.74 2.68 5.74 . . . . . B . 16 DT H1' . . B . 16 DT H2' . . . 16 . H1'' . . . . . 16 . H2''1 . . c17887_2lib 1 104 1 . . 2 2 6 6 DT H6 H . . . 2 2 6 6 DT H2' H . . . . . 2.12 1.96 4.12 . . . . . B . 16 DT H6 . . B . 16 DT H2' . . . 16 . H6 . . . . . 16 . H2''1 . . c17887_2lib 1 105 1 . . 2 2 6 6 DT H1' H . . . 2 2 6 6 DT H2'' H . . . . . 2.31 2.00 4.31 . . . . . B . 16 DT H1' . . B . 16 DT H2'' . . . 16 . H1'' . . . . . 16 . H2''2 . . c17887_2lib 1 106 1 . . 2 2 6 6 DT H6 H . . . 2 2 6 6 DT H2'' H . . . . . 4.69 2.86 6.69 . . . . . B . 16 DT H6 . . B . 16 DT H2'' . . . 16 . H6 . . . . . 16 . H2''2 . . c17887_2lib 1 107 1 . . 2 2 6 6 DT H1' H . . . 2 2 7 7 DG H8 H . . . . . 5.20 4.00 7.20 . . . . . B . 16 DT H1' . . B . 17 DG H8 . . . 16 . H1'' . . . . . 17 . H8 . . c17887_2lib 1 108 1 . . 2 2 6 6 DT H6 H . . . 2 2 7 7 DG H8 H . . . . . 5.61 4.16 7.61 . . . . . B . 16 DT H6 . . B . 17 DG H8 . . . 16 . H6 . . . . . 17 . H8 . . c17887_2lib 1 109 1 . . 2 2 6 6 DT H3' H . . . 2 2 7 7 DG H8 H . . . . . 7.18 5.18 9.18 . . . . . B . 16 DT H3' . . B . 17 DG H8 . . . 16 . H3'' . . . . . 17 . H8 . . c17887_2lib 1 110 1 . . 2 2 6 6 DT H2' H . . . 2 2 7 7 DG H8 H . . . . . 5.70 3.99 7.70 . . . . . B . 16 DT H2' . . B . 17 DG H8 . . . 16 . H2''1 . . . . . 17 . H8 . . c17887_2lib 1 111 1 . . 2 2 7 7 DG H3' H . . . 2 2 7 7 DG H1' H . . . . . 4.78 4.01 6.78 . . . . . B . 17 DG H3' . . B . 17 DG H1' . . . 17 . H3'' . . . . . 17 . H1'' . . c17887_2lib 1 112 1 . . 2 2 7 7 DG H8 H . . . 2 2 7 7 DG H3' H . . . . . 4.57 3.61 6.57 . . . . . B . 17 DG H8 . . B . 17 DG H3' . . . 17 . H8 . . . . . 17 . H3'' . . c17887_2lib 1 113 1 . . 2 2 9 9 DA H8 H . . . 2 2 8 8 DG H8 H . . . . . 5.80 4.71 7.80 . . . . . B . 19 DA H8 . . B . 18 DG H8 . . . 19 . H8 . . . . . 18 . H8 . . c17887_2lib 1 114 1 . . 2 2 9 9 DA H8 H . . . 2 2 9 9 DA H1' H . . . . . 4.17 3.70 6.17 . . . . . B . 19 DA H8 . . B . 19 DA H1' . . . 19 . H8 . . . . . 19 . H1'' . . c17887_2lib 1 115 1 . . 2 2 9 9 DA H1' H . . . 2 2 9 9 DA H3' H . . . . . 4.67 3.76 6.67 . . . . . B . 19 DA H1' . . B . 19 DA H3' . . . 19 . H1'' . . . . . 19 . H3'' . . c17887_2lib 1 116 1 . . 2 2 9 9 DA H8 H . . . 2 2 9 9 DA H2' H . . . . . 4.41 3.35 6.41 . . . . . B . 19 DA H8 . . B . 19 DA H2' . . . 19 . H8 . . . . . 19 . H2''2 . . c17887_2lib 1 117 1 . . 2 2 9 9 DA H1' H . . . 2 2 10 10 DC H6 H . . . . . 4.69 3.64 6.69 . . . . . B . 19 DA H1' . . B . 20 DC H6 . . . 19 . H1'' . . . . . 20 . H6 . . c17887_2lib 1 118 1 . . 2 2 9 9 DA H8 H . . . 2 2 10 10 DC H6 H . . . . . 5.53 4.21 7.53 . . . . . B . 19 DA H8 . . B . 20 DC H6 . . . 19 . H8 . . . . . 20 . H6 . . c17887_2lib 1 119 1 . . 2 2 9 9 DA H1' H . . . 2 2 10 10 DC H5 H . . . . . 5.79 4.37 7.79 . . . . . B . 19 DA H1' . . B . 20 DC H5 . . . 19 . H1'' . . . . . 20 . H5 . . c17887_2lib 1 120 1 . . 2 2 9 9 DA H8 H . . . 2 2 10 10 DC H5 H . . . . . 3.71 3.41 5.71 . . . . . B . 19 DA H8 . . B . 20 DC H5 . . . 19 . H8 . . . . . 20 . H5 . . c17887_2lib 1 121 1 . . 2 2 10 10 DC H5 H . . . 2 2 9 9 DA H2' H . . . . . 5.66 3.56 7.66 . . . . . B . 20 DC H5 . . B . 19 DA H2' . . . 20 . H5 . . . . . 19 . H2''2 . . c17887_2lib 1 122 1 . . 2 2 10 10 DC H6 H . . . 2 2 10 10 DC H3' H . . . . . 3.60 3.04 5.60 . . . . . B . 20 DC H6 . . B . 20 DC H3' . . . 20 . H6 . . . . . 20 . H3'' . . c17887_2lib 1 123 1 . . 2 2 10 10 DC H6 H . . . 2 2 10 10 DC H2' H . . . . . 2.31 2.10 4.31 . . . . . B . 20 DC H6 . . B . 20 DC H2' . . . 20 . H6 . . . . . 20 . H2''1 . . c17887_2lib 1 124 1 . . 2 2 10 10 DC H3' H . . . 2 2 10 10 DC H2' H . . . . . 2.70 2.53 4.70 . . . . . B . 20 DC H3' . . B . 20 DC H2' . . . 20 . H3'' . . . . . 20 . H2''1 . . c17887_2lib 1 125 1 . . 2 2 10 10 DC H6 H . . . 2 2 10 10 DC H2' H . . . . . 4.18 2.90 6.18 . . . . . B . 20 DC H6 . . B . 20 DC H2' . . . 20 . H6 . . . . . 20 . H2''2 . . c17887_2lib 1 126 1 . . 2 2 10 10 DC H5 H . . . 2 2 10 10 DC H2' H . . . . . 4.85 3.67 6.85 . . . . . B . 20 DC H5 . . B . 20 DC H2' . . . 20 . H5 . . . . . 20 . H2''2 . . c17887_2lib 1 127 1 . . 1 1 1 1 DG H8 H . . . 1 1 1 1 DG H1' H . . . . . 4.43 3.75 6.43 . . . . . A . 1 DG H8 . . A . 1 DG H1' . . . 1 . H8 . . . . . 1 . H1'' . . c17887_2lib 1 128 1 . . 1 1 2 2 DT H6 H . . . 1 1 1 1 DG H1' H . . . . . 4.36 3.55 6.36 . . . . . A . 2 DT H6 . . A . 1 DG H1' . . . 2 . H6 . . . . . 1 . H1'' . . c17887_2lib 1 129 1 . . 1 1 2 2 DT M7 H . . . 1 1 1 1 DG H1' H . . . . . 5.79 4.76 7.79 . . . . . A . 2 DT M7 . . A . 1 DG H1' . 2lib_ambr001 . 2 THY H71 . . . 2lib_ambr001 . 1 GUA H1' . . c17887_2lib 1 130 1 . . 1 1 1 1 DG H8 H . . . 1 1 1 1 DG H3' H . . . . . 5.50 4.30 7.50 . . . . . A . 1 DG H8 . . A . 1 DG H3' . . . 1 . H8 . . . . . 1 . H3'' . . c17887_2lib 1 131 1 . . 1 1 1 1 DG H3' H . . . 1 1 1 1 DG H2' H . . . . . 2.86 2.72 4.86 . . . . . A . 1 DG H3' . . A . 1 DG H2' . . . 1 . H3'' . . . . . 1 . H2''2 . . c17887_2lib 1 132 1 . . 1 1 2 2 DT H6 H . . . 1 1 1 1 DG H3' H . . . . . 4.41 3.59 6.41 . . . . . A . 2 DT H6 . . A . 1 DG H3' . . . 2 . H6 . . . . . 1 . H3'' . . c17887_2lib 1 133 1 . . 1 1 2 2 DT H1' H . . . 1 1 2 2 DT H4' H . . . . . 3.00 2.86 5.00 . . . . . A . 2 DT H1' . . A . 2 DT H4' . . . 2 . H1'' . . . . . 2 . H4'' . . c17887_2lib 1 134 1 . . 1 1 2 2 DT H6 H . . . 1 1 2 2 DT H4' H . . . . . 4.54 3.88 6.54 . . . . . A . 2 DT H6 . . A . 2 DT H4' . . . 2 . H6 . . . . . 2 . H4'' . . c17887_2lib 1 135 1 . . 1 1 2 2 DT H2' H . . . 1 1 2 2 DT H4' H . . . . . 4.16 3.25 6.16 . . . . . A . 2 DT H2' . . A . 2 DT H4' . . . 2 . H2''1 . . . . . 2 . H4'' . . c17887_2lib 1 136 1 . . 1 1 2 2 DT H2'' H . . . 1 1 2 2 DT H4' H . . . . . 4.36 3.09 6.36 . . . . . A . 2 DT H2'' . . A . 2 DT H4' . . . 2 . H2''2 . . . . . 2 . H4'' . . c17887_2lib 1 137 1 . . 1 1 1 1 DG H8 H . . . 1 1 1 1 DG H2' H . . . . . 6.46 4.66 8.46 . . . . . A . 1 DG H8 . . A . 1 DG H2' . . . 1 . H8 . . . . . 1 . H2''1 . . c17887_2lib 1 138 1 . . 1 1 2 2 DT H6 H . . . 1 1 1 1 DG H2' H . . . . . 2.94 2.74 4.94 . . . . . A . 2 DT H6 . . A . 1 DG H2' . . . 2 . H6 . . . . . 1 . H2''1 . . c17887_2lib 1 139 1 . . 1 1 2 2 DT M7 H . . . 1 1 1 1 DG H2' H . . . . . 4.45 3.53 6.45 . . . . . A . 2 DT M7 . . A . 1 DG H2' . 2lib_ambr001 . 2 THY H71 . . . 2lib_ambr001 . 1 GUA H2'1 . . c17887_2lib 1 140 1 . . 1 1 3 3 DC H6 H . . . 1 1 3 3 DC H3' H . . . . . 3.76 3.20 5.76 . . . . . A . 3 DC H6 . . A . 3 DC H3' . . . 3 . H6 . . . . . 3 . H3'' . . c17887_2lib 1 141 1 . . 1 1 3 3 DC H3' H . . . 1 1 3 3 DC H2' H . . . . . 3.08 2.64 5.08 . . . . . A . 3 DC H3' . . A . 3 DC H2' . . . 3 . H3'' . . . . . 3 . H2''2 . . c17887_2lib 1 142 1 . . 1 1 4 4 DC H1' H . . . 1 1 4 4 DC H2' H . . . . . 3.65 3.05 5.65 . . . . . A . 4 DC H1' . . A . 4 DC H2' . . . 4 . H1'' . . . . . 4 . H2''1 . . c17887_2lib 1 143 1 . . 1 1 4 4 DC H2' H . . . 1 1 4 4 DC H6 H . . . . . 2.24 2.06 4.24 . . . . . A . 4 DC H2' . . A . 4 DC H6 . . . 4 . H2''1 . . . . . 4 . H6 . . c17887_2lib 1 144 1 . . 1 1 4 4 DC H1' H . . . 1 1 4 4 DC H6 H . . . . . 3.42 3.22 5.42 . . . . . A . 4 DC H1' . . A . 4 DC H6 . . . 4 . H1'' . . . . . 4 . H6 . . c17887_2lib 1 145 1 . . 1 1 4 4 DC H2' H . . . 1 1 5 5 A3A H1' H . . . . . 3.50 2.61 5.50 . . . . . A . 4 DC H2' . . A . 5 A3A H1' . . . 4 . H2''1 . . . . . 5 . H1'' . . c17887_2lib 1 146 1 . . 1 1 5 5 A3A H8A H . . . 1 1 5 5 A3A H1' H . . . . . 3.62 3.36 5.62 . . . . . A . 5 A3A H8A . . A . 5 A3A H1' . . . 5 . H8 . . . . . 5 . H1'' . . c17887_2lib 1 147 1 . . 1 1 5 5 A3A H3' H . . . 1 1 5 5 A3A H1' H . . . . . 4.44 3.57 6.44 . . . . . A . 5 A3A H3' . . A . 5 A3A H1' . . . 5 . H3'' . . . . . 5 . H1'' . . c17887_2lib 1 148 1 . . 1 1 6 6 DG H8 H . . . 1 1 5 5 A3A H1' H . . . . . 5.34 4.30 7.34 . . . . . A . 6 DG H8 . . A . 5 A3A H1' . . . 6 . H8 . . . . . 5 . H1'' . . c17887_2lib 1 149 1 . . 1 1 8 8 DA H1' H . . . 1 1 8 8 DA H4' H . . . . . 3.15 3.01 5.15 . . . . . A . 8 DA H1' . . A . 8 DA H4' . . . 8 . H1'' . . . . . 8 . H4'' . . c17887_2lib 1 150 1 . . 1 1 8 8 DA H8 H . . . 1 1 8 8 DA H4' H . . . . . 5.04 4.31 7.04 . . . . . A . 8 DA H8 . . A . 8 DA H4' . . . 8 . H8 . . . . . 8 . H4'' . . c17887_2lib 1 151 1 . . 1 1 8 8 DA H3' H . . . 1 1 8 8 DA H4' H . . . . . 2.96 2.76 4.96 . . . . . A . 8 DA H3' . . A . 8 DA H4' . . . 8 . H3'' . . . . . 8 . H4'' . . c17887_2lib 1 152 1 . . 1 1 8 8 DA H2' H . . . 1 1 8 8 DA H4' H . . . . . 4.54 3.59 6.54 . . . . . A . 8 DA H2' . . A . 8 DA H4' . . . 8 . H2''1 . . . . . 8 . H4'' . . c17887_2lib 1 153 1 . . 1 1 8 8 DA H2' H . . . 1 1 8 8 DA H4' H . . . . . 3.97 3.18 5.97 . . . . . A . 8 DA H2' . . A . 8 DA H4' . . . 8 . H2''2 . . . . . 8 . H4'' . . c17887_2lib 1 154 1 . . 1 1 7 7 DG H8 H . . . 1 1 7 7 DG H1' H . . . . . 4.83 3.91 6.83 . . . . . A . 7 DG H8 . . A . 7 DG H1' . . . 7 . H8 . . . . . 7 . H1'' . . c17887_2lib 1 155 1 . . 1 1 7 7 DG H2' H . . . 1 1 7 7 DG H1' H . . . . . 2.76 2.37 4.76 . . . . . A . 7 DG H2' . . A . 7 DG H1' . . . 7 . H2''1 . . . . . 7 . H1'' . . c17887_2lib 1 156 1 . . 1 1 8 8 DA H8 H . . . 1 1 7 7 DG H1' H . . . . . 3.38 3.15 5.38 . . . . . A . 8 DA H8 . . A . 7 DG H1' . . . 8 . H8 . . . . . 7 . H1'' . . c17887_2lib 1 157 1 . . 1 1 7 7 DG H2' H . . . 1 1 8 8 DA H8 H . . . . . 2.79 2.57 4.79 . . . . . A . 7 DG H2' . . A . 8 DA H8 . . . 7 . H2''2 . . . . . 8 . H8 . . c17887_2lib 1 158 1 . . 1 1 9 9 DC H6 H . . . 1 1 9 9 DC H1' H . . . . . 3.77 3.32 5.77 . . . . . A . 9 DC H6 . . A . 9 DC H1' . . . 9 . H6 . . . . . 9 . H1'' . . c17887_2lib 1 159 1 . . 1 1 9 9 DC H3' H . . . 1 1 9 9 DC H1' H . . . . . 4.76 3.94 6.76 . . . . . A . 9 DC H3' . . A . 9 DC H1' . . . 9 . H3'' . . . . . 9 . H1'' . . c17887_2lib 1 160 1 . . 1 1 9 9 DC H2' H . . . 1 1 9 9 DC H1' H . . . . . 3.71 3.13 5.71 . . . . . A . 9 DC H2' . . A . 9 DC H1' . . . 9 . H2''1 . . . . . 9 . H1'' . . c17887_2lib 1 161 1 . . 1 1 10 10 DG H8 H . . . 1 1 9 9 DC H1' H . . . . . 4.36 3.80 6.36 . . . . . A . 10 DG H8 . . A . 9 DC H1' . . . 10 . H8 . . . . . 9 . H1'' . . c17887_2lib 1 162 1 . . 1 1 10 10 DG H1' H . . . 1 1 10 10 DG H4' H . . . . . 3.28 3.11 5.28 . . . . . A . 10 DG H1' . . A . 10 DG H4' . . . 10 . H1'' . . . . . 10 . H4'' . . c17887_2lib 1 163 1 . . 1 1 10 10 DG H8 H . . . 1 1 10 10 DG H4' H . . . . . 5.04 4.40 7.04 . . . . . A . 10 DG H8 . . A . 10 DG H4' . . . 10 . H8 . . . . . 10 . H4'' . . c17887_2lib 1 164 1 . . 2 2 1 1 DC H6 H . . . 2 2 1 1 DC H1' H . . . . . 3.14 2.94 5.14 . . . . . B . 11 DC H6 . . B . 11 DC H1' . . . 11 . H6 . . . . . 11 . H1'' . . c17887_2lib 1 165 1 . . 2 2 1 1 DC H3' H . . . 2 2 1 1 DC H1' H . . . . . 4.48 3.83 6.48 . . . . . B . 11 DC H3' . . B . 11 DC H1' . . . 11 . H3'' . . . . . 11 . H1'' . . c17887_2lib 1 166 1 . . 2 2 2 2 DG H8 H . . . 2 2 1 1 DC H1' H . . . . . 4.88 3.97 6.88 . . . . . B . 12 DG H8 . . B . 11 DC H1' . . . 12 . H8 . . . . . 11 . H1'' . . c17887_2lib 1 167 1 . . 2 2 2 2 DG H1' H . . . 2 2 2 2 DG H4' H . . . . . 3.18 3.00 5.18 . . . . . B . 12 DG H1' . . B . 12 DG H4' . . . 12 . H1'' . . . . . 12 . H4'' . . c17887_2lib 1 168 1 . . 2 2 2 2 DG H8 H . . . 2 2 2 2 DG H4' H . . . . . 5.34 4.43 7.34 . . . . . B . 12 DG H8 . . B . 12 DG H4' . . . 12 . H8 . . . . . 12 . H4'' . . c17887_2lib 1 169 1 . . 2 2 2 2 DG H2' H . . . 2 2 2 2 DG H4' H . . . . . 3.85 3.37 5.85 . . . . . B . 12 DG H2' . . B . 12 DG H4' . . . 12 . H2''1 . . . . . 12 . H4'' . . c17887_2lib 1 170 1 . . 2 2 1 1 DC H2' H . . . 2 2 2 2 DG H8 H . . . . . 3.43 3.10 5.43 . . . . . B . 11 DC H2' . . B . 12 DG H8 . . . 11 . H2''2 . . . . . 12 . H8 . . c17887_2lib 1 171 1 . . 2 2 1 1 DC H2' H . . . 2 2 1 1 DC H1' H . . . . . 2.51 2.27 4.51 . . . . . B . 11 DC H2' . . B . 11 DC H1' . . . 11 . H2''2 . . . . . 11 . H1'' . . c17887_2lib 1 172 1 . . 2 2 3 3 DT H1' H . . . 2 2 3 3 DT H4' H . . . . . 2.92 2.80 4.92 . . . . . B . 13 DT H1' . . B . 13 DT H4' . . . 13 . H1'' . . . . . 13 . H4'' . . c17887_2lib 1 173 1 . . 2 2 3 3 DT H6 H . . . 2 2 3 3 DT H4' H . . . . . 4.29 3.76 6.29 . . . . . B . 13 DT H6 . . B . 13 DT H4' . . . 13 . H6 . . . . . 13 . H4'' . . c17887_2lib 1 174 1 . . 2 2 3 3 DT H2' H . . . 2 2 3 3 DT H4' H . . . . . 3.90 3.11 5.90 . . . . . B . 13 DT H2' . . B . 13 DT H4' . . . 13 . H2''1 . . . . . 13 . H4'' . . c17887_2lib 1 175 1 . . 2 2 4 4 DC H6 H . . . 2 2 4 4 DC H1' H . . . . . 3.23 3.04 5.23 . . . . . B . 14 DC H6 . . B . 14 DC H1' . . . 14 . H6 . . . . . 14 . H1'' . . c17887_2lib 1 176 1 . . 2 2 4 4 DC H3' H . . . 2 2 4 4 DC H1' H . . . . . 4.64 3.77 6.64 . . . . . B . 14 DC H3' . . B . 14 DC H1' . . . 14 . H3'' . . . . . 14 . H1'' . . c17887_2lib 1 177 1 . . 2 2 4 4 DC H1' H . . . 2 2 4 4 DC H2' H . . . . . 3.98 3.06 5.98 . . . . . B . 14 DC H1' . . B . 14 DC H2' . . . 14 . H1'' . . . . . 14 . H2''1 . . c17887_2lib 1 178 1 . . 2 2 5 5 DC H2' H . . . 2 2 5 5 DC H1' H . . . . . 4.22 3.06 6.22 . . . . . B . 15 DC H2' . . B . 15 DC H1' . . . 15 . H2''1 . . . . . 15 . H1'' . . c17887_2lib 1 179 1 . . 2 2 5 5 DC H2' H . . . 2 2 5 5 DC H1' H . . . . . 2.28 2.02 4.28 . . . . . B . 15 DC H2' . . B . 15 DC H1' . . . 15 . H2''2 . . . . . 15 . H1'' . . c17887_2lib 1 180 1 . . 2 2 6 6 DT H6 H . . . 2 2 5 5 DC H1' H . . . . . 4.91 3.53 6.91 . . . . . B . 16 DT H6 . . B . 15 DC H1' . . . 16 . H6 . . . . . 15 . H1'' . . c17887_2lib 1 181 1 . . 2 2 6 6 DT M7 H . . . 2 2 5 5 DC H1' H . . . . . 5.46 4.47 7.46 . . . . . B . 16 DT M7 . . B . 15 DC H1' . 2lib_ambr002 . 6 THY H71 . . . 2lib_ambr002 . 5 CYT H1' . . c17887_2lib 1 182 1 . . 2 2 6 6 DT H1' H . . . 2 2 6 6 DT H4' H . . . . . 2.97 2.81 4.97 . . . . . B . 16 DT H1' . . B . 16 DT H4' . . . 16 . H1'' . . . . . 16 . H4'' . . c17887_2lib 1 183 1 . . 2 2 6 6 DT H6 H . . . 2 2 6 6 DT H4' H . . . . . 3.98 3.62 5.98 . . . . . B . 16 DT H6 . . B . 16 DT H4' . . . 16 . H6 . . . . . 16 . H4'' . . c17887_2lib 1 184 1 . . 2 2 4 4 DC H6 H . . . 2 2 5 5 DC H5 H . . . . . 3.62 3.34 5.62 . . . . . B . 14 DC H6 . . B . 15 DC H5 . . . 14 . H6 . . . . . 15 . H5 . . c17887_2lib 1 185 1 . . 2 2 4 4 DC H3' H . . . 2 2 5 5 DC H5 H . . . . . 4.96 4.03 6.96 . . . . . B . 14 DC H3' . . B . 15 DC H5 . . . 14 . H3'' . . . . . 15 . H5 . . c17887_2lib 1 186 1 . . 2 2 4 4 DC H2' H . . . 2 2 5 5 DC H5 H . . . . . 3.44 3.17 5.44 . . . . . B . 14 DC H2' . . B . 15 DC H5 . . . 14 . H2''1 . . . . . 15 . H5 . . c17887_2lib 1 187 1 . . 2 2 5 5 DC H2' H . . . 2 2 5 5 DC H5 H . . . . . 5.28 3.90 7.28 . . . . . B . 15 DC H2' . . B . 15 DC H5 . . . 15 . H2''1 . . . . . 15 . H5 . . c17887_2lib 1 188 1 . . 2 2 6 6 DT M7 H . . . 2 2 5 5 DC H5 H . . . . . 4.10 3.90 6.10 . . . . . B . 16 DT M7 . . B . 15 DC H5 . 2lib_ambr002 . 6 THY H71 . . . 2lib_ambr002 . 5 CYT H5 . . c17887_2lib 1 189 1 . . 2 2 7 7 DG H1' H . . . 2 2 7 7 DG H4' H . . . . . 3.05 2.90 5.05 . . . . . B . 17 DG H1' . . B . 17 DG H4' . . . 17 . H1'' . . . . . 17 . H4'' . . c17887_2lib 1 190 1 . . 2 2 7 7 DG H8 H . . . 2 2 7 7 DG H4' H . . . . . 4.62 4.00 6.62 . . . . . B . 17 DG H8 . . B . 17 DG H4' . . . 17 . H8 . . . . . 17 . H4'' . . c17887_2lib 1 191 1 . . 2 2 8 8 DG H8 H . . . 2 2 8 8 DG H1' H . . . . . 4.16 3.67 6.16 . . . . . B . 18 DG H8 . . B . 18 DG H1' . . . 18 . H8 . . . . . 18 . H1'' . . c17887_2lib 1 192 1 . . 2 2 8 8 DG H1' H . . . 2 2 8 8 DG H3' H . . . . . 4.38 3.42 6.38 . . . . . B . 18 DG H1' . . B . 18 DG H3' . . . 18 . H1'' . . . . . 18 . H3'' . . c17887_2lib 1 193 1 . . 2 2 9 9 DA H8 H . . . 2 2 8 8 DG H1' H . . . . . 3.35 3.16 5.35 . . . . . B . 19 DA H8 . . B . 18 DG H1' . . . 19 . H8 . . . . . 18 . H1'' . . c17887_2lib 1 194 1 . . 2 2 9 9 DA H1' H . . . 2 2 9 9 DA H4' H . . . . . 3.20 3.04 5.20 . . . . . B . 19 DA H1' . . B . 19 DA H4' . . . 19 . H1'' . . . . . 19 . H4'' . . c17887_2lib 1 195 1 . . 2 2 9 9 DA H8 H . . . 2 2 9 9 DA H4' H . . . . . 5.06 4.13 7.06 . . . . . B . 19 DA H8 . . B . 19 DA H4' . . . 19 . H8 . . . . . 19 . H4'' . . c17887_2lib 1 196 1 . . 2 2 9 9 DA H8 H . . . 2 2 8 8 DG H2' H . . . . . 2.76 2.62 4.76 . . . . . B . 19 DA H8 . . B . 18 DG H2' . . . 19 . H8 . . . . . 18 . H2''2 . . c17887_2lib 1 197 1 . . 1 1 2 2 DT H6 H . . . 1 1 3 3 DC H5 H . . . . . 3.67 3.34 5.67 . . . . . A . 2 DT H6 . . A . 3 DC H5 . . . 2 . H6 . . . . . 3 . H5 . . c17887_2lib 1 198 1 . . 1 1 2 2 DT M7 H . . . 1 1 3 3 DC H5 H . . . . . 4.75 4.45 6.75 . . . . . A . 2 DT M7 . . A . 3 DC H5 . 2lib_ambr001 . 2 THY H71 . . . 2lib_ambr001 . 3 CYT H5 . . c17887_2lib 1 199 1 . . 1 1 8 8 DA H1' H . . . 1 1 8 8 DA H2 H . . . . . 4.40 3.97 6.40 . . . . . A . 8 DA H1' . . A . 8 DA H2 . . . 8 . H1'' . . . . . 8 . H2 . . c17887_2lib 1 200 1 . . 1 1 9 9 DC H1' H . . . 1 1 8 8 DA H2 H . . . . . 4.40 3.81 6.40 . . . . . A . 9 DC H1' . . A . 8 DA H2 . . . 9 . H1'' . . . . . 8 . H2 . . c17887_2lib 1 201 1 . . 2 2 4 4 DC H1' H . . . 1 1 8 8 DA H2 H . . . . . 4.36 3.82 6.36 . . . . . B . 14 DC H1' . . A . 8 DA H2 . . . 14 . H1'' . . . . . 8 . H2 . . c17887_2lib 1 202 1 . . 1 1 8 8 DA H1' H . . . 1 1 9 9 DC H4' H . . . . . 3.62 3.23 5.62 . . . . . A . 8 DA H1' . . A . 9 DC H4' . . . 8 . H1'' . . . . . 9 . H4'' . . c17887_2lib 1 203 1 . . 1 1 9 9 DC H6 H . . . 1 1 9 9 DC H4' H . . . . . 4.08 3.57 6.08 . . . . . A . 9 DC H6 . . A . 9 DC H4' . . . 9 . H6 . . . . . 9 . H4'' . . c17887_2lib 1 204 1 . . 1 1 9 9 DC H2' H . . . 1 1 9 9 DC H4' H . . . . . 4.17 3.13 6.17 . . . . . A . 9 DC H2' . . A . 9 DC H4' . . . 9 . H2''1 . . . . . 9 . H4'' . . c17887_2lib 1 205 1 . . 1 1 10 10 DG H1' H . . . 1 1 10 10 DG H2' H . . . . . 2.40 2.20 4.40 . . . . . A . 10 DG H1' . . A . 10 DG H2' . . . 10 . H1'' . . . . . 10 . H2''2 . . c17887_2lib 1 206 1 . . 1 1 10 10 DG H8 H . . . 1 1 10 10 DG H2' H . . . . . 6.07 3.97 8.07 . . . . . A . 10 DG H8 . . A . 10 DG H2' . . . 10 . H8 . . . . . 10 . H2''2 . . c17887_2lib 1 207 1 . . 1 1 10 10 DG H3' H . . . 1 1 10 10 DG H2' H . . . . . 3.86 2.79 5.86 . . . . . A . 10 DG H3' . . A . 10 DG H2' . . . 10 . H3'' . . . . . 10 . H2''2 . . c17887_2lib 1 208 1 . . 2 2 3 3 DT H1' H . . . 2 2 4 4 DC H5 H . . . . . 5.25 3.96 7.25 . . . . . B . 13 DT H1' . . B . 14 DC H5 . . . 13 . H1'' . . . . . 14 . H5 . . c17887_2lib 1 209 1 . . 2 2 3 3 DT H6 H . . . 2 2 4 4 DC H5 H . . . . . 3.81 3.46 5.81 . . . . . B . 13 DT H6 . . B . 14 DC H5 . . . 13 . H6 . . . . . 14 . H5 . . c17887_2lib 1 210 1 . . 2 2 3 3 DT M7 H . . . 2 2 4 4 DC H5 H . . . . . 4.58 4.31 6.58 . . . . . B . 13 DT M7 . . B . 14 DC H5 . 2lib_ambr002 . 3 THY H71 . . . 2lib_ambr002 . 4 CYT H5 . . c17887_2lib 1 211 1 . . 2 2 5 5 DC H6 H . . . 2 2 5 5 DC H3' H . . . . . 4.89 4.07 6.89 . . . . . B . 15 DC H6 . . B . 15 DC H3' . . . 15 . H6 . . . . . 15 . H3'' . . c17887_2lib 1 212 1 . . 2 2 5 5 DC H2' H . . . 2 2 5 5 DC H3' H . . . . . 3.37 2.88 5.37 . . . . . B . 15 DC H2' . . B . 15 DC H3' . . . 15 . H2''1 . . . . . 15 . H3'' . . c17887_2lib 1 213 1 . . 2 2 7 7 DG H1' H . . . 2 2 7 7 DG H2' H . . . . . 2.34 2.21 4.34 . . . . . B . 17 DG H1' . . B . 17 DG H2' . . . 17 . H1'' . . . . . 17 . H2''2 . . c17887_2lib 1 214 1 . . 2 2 8 8 DG H1' H . . . 2 2 8 8 DG H2' H . . . . . 3.48 2.62 5.48 . . . . . B . 18 DG H1' . . B . 18 DG H2' . . . 18 . H1'' . . . . . 18 . H2''1 . . c17887_2lib 1 215 1 . . 1 1 2 2 DT H1' H . . . 2 2 9 9 DA H2 H . . . . . 5.09 4.33 7.09 . . . . . A . 2 DT H1' . . B . 19 DA H2 . . . 2 . H1'' . . . . . 19 . H2 . . c17887_2lib 1 216 1 . . 2 2 9 9 DA H1' H . . . 2 2 9 9 DA H2 H . . . . . 4.35 3.95 6.35 . . . . . B . 19 DA H1' . . B . 19 DA H2 . . . 19 . H1'' . . . . . 19 . H2 . . c17887_2lib 1 217 1 . . 2 2 10 10 DC H5 H . . . 2 2 9 9 DA H2' H . . . . . 3.86 3.21 5.86 . . . . . B . 20 DC H5 . . B . 19 DA H2' . . . 20 . H5 . . . . . 19 . H2''1 . . c17887_2lib 1 218 1 . . 2 2 9 9 DA H4' H . . . 2 2 9 9 DA H2' H . . . . . 4.30 3.56 6.30 . . . . . B . 19 DA H4' . . B . 19 DA H2' . . . 19 . H4'' . . . . . 19 . H2''1 . . c17887_2lib 1 219 1 . . 1 1 1 1 DG H8 H . . . 1 1 1 1 DG H4' H . . . . . 5.91 4.64 7.91 . . . . . A . 1 DG H8 . . A . 1 DG H4' . . . 1 . H8 . . . . . 1 . H4'' . . c17887_2lib 1 220 1 . . 1 1 3 3 DC H6 H . . . 1 1 3 3 DC H1' H . . . . . 3.70 3.39 5.70 . . . . . A . 3 DC H6 . . A . 3 DC H1' . . . 3 . H6 . . . . . 3 . H1'' . . c17887_2lib 1 221 1 . . 1 1 4 4 DC H6 H . . . 1 1 3 3 DC H1' H . . . . . 3.60 3.29 5.60 . . . . . A . 4 DC H6 . . A . 3 DC H1' . . . 4 . H6 . . . . . 3 . H1'' . . c17887_2lib 1 222 1 . . 1 1 3 3 DC H1' H . . . 1 1 3 3 DC H2' H . . . . . 3.26 2.93 5.26 . . . . . A . 3 DC H1' . . A . 3 DC H2' . . . 3 . H1'' . . . . . 3 . H2''1 . . c17887_2lib 1 223 1 . . 1 1 4 4 DC H2' H . . . 1 1 4 4 DC H4' H . . . . . 3.74 3.10 5.74 . . . . . A . 4 DC H2' . . A . 4 DC H4' . . . 4 . H2''1 . . . . . 4 . H4'' . . c17887_2lib 1 224 1 . . 1 1 4 4 DC H2' H . . . 1 1 4 4 DC H3' H . . . . . 2.48 2.20 4.48 . . . . . A . 4 DC H2' . . A . 4 DC H3' . . . 4 . H2''1 . . . . . 4 . H3'' . . c17887_2lib 1 225 1 . . 1 1 5 5 A3A H8A H . . . 1 1 5 5 A3A H4' H . . . . . 2.67 2.39 4.67 . . . . . A . 5 A3A H8A . . A . 5 A3A H4' . . . 5 . H8 . . . . . 5 . H4'' . . c17887_2lib 1 226 1 . . 1 1 6 6 DG H8 H . . . 1 1 5 5 A3A H4' H . . . . . 5.92 4.35 7.92 . . . . . A . 6 DG H8 . . A . 5 A3A H4' . . . 6 . H8 . . . . . 5 . H4'' . . c17887_2lib 1 227 1 . . 1 1 5 5 A3A H1' H . . . 1 1 5 5 A3A H4' H . . . . . 4.05 3.71 6.05 . . . . . A . 5 A3A H1' . . A . 5 A3A H4' . . . 5 . H1'' . . . . . 5 . H4'' . . c17887_2lib 1 228 1 . . 1 1 7 7 DG H8 H . . . 1 1 7 7 DG H4' H . . . . . 5.09 4.34 7.09 . . . . . A . 7 DG H8 . . A . 7 DG H4' . . . 7 . H8 . . . . . 7 . H4'' . . c17887_2lib 1 229 1 . . 1 1 8 8 DA H8 H . . . 1 1 7 7 DG H4' H . . . . . 5.20 4.43 7.20 . . . . . A . 8 DA H8 . . A . 7 DG H4' . . . 8 . H8 . . . . . 7 . H4'' . . c17887_2lib 1 230 1 . . 1 1 7 7 DG H1' H . . . 1 1 7 7 DG H4' H . . . . . 3.10 2.89 5.10 . . . . . A . 7 DG H1' . . A . 7 DG H4' . . . 7 . H1'' . . . . . 7 . H4'' . . c17887_2lib 1 231 1 . . 2 2 1 1 DC H1' H . . . 2 2 1 1 DC H4' H . . . . . 3.64 3.44 5.64 . . . . . B . 11 DC H1' . . B . 11 DC H4' . . . 11 . H1'' . . . . . 11 . H4'' . . c17887_2lib 1 232 1 . . 2 2 5 5 DC H2' H . . . 2 2 5 5 DC H4' H . . . . . 3.50 3.16 5.50 . . . . . B . 15 DC H2' . . B . 15 DC H4' . . . 15 . H2''1 . . . . . 15 . H4'' . . c17887_2lib 1 233 1 . . 2 2 8 8 DG H8 H . . . 2 2 8 8 DG H4' H . . . . . 4.83 4.05 6.83 . . . . . B . 18 DG H8 . . B . 18 DG H4' . . . 18 . H8 . . . . . 18 . H4'' . . c17887_2lib 1 234 1 . . 2 2 9 9 DA H8 H . . . 2 2 8 8 DG H4' H . . . . . 5.28 4.34 7.28 . . . . . B . 19 DA H8 . . B . 18 DG H4' . . . 19 . H8 . . . . . 18 . H4'' . . c17887_2lib 1 235 1 . . 2 2 8 8 DG H1' H . . . 2 2 8 8 DG H4' H . . . . . 3.18 3.00 5.18 . . . . . B . 18 DG H1' . . B . 18 DG H4' . . . 18 . H1'' . . . . . 18 . H4'' . . c17887_2lib 1 236 1 . . 2 2 10 10 DC H6 H . . . 2 2 10 10 DC H1' H . . . . . 3.99 3.50 5.99 . . . . . B . 20 DC H6 . . B . 20 DC H1' . . . 20 . H6 . . . . . 20 . H1'' . . c17887_2lib 1 237 1 . . 2 2 10 10 DC H3' H . . . 2 2 10 10 DC H1' H . . . . . 5.02 4.16 7.02 . . . . . B . 20 DC H3' . . B . 20 DC H1' . . . 20 . H3'' . . . . . 20 . H1'' . . c17887_2lib 1 238 1 . . 2 2 3 3 DT H6 H . . . 2 2 3 3 DT H2'' H . . . . . 3.89 2.44 5.89 . . . . . B . 13 DT H6 . . B . 13 DT H2'' . . . 13 . H6 . . . . . 13 . H2''2 . . c17887_2lib 1 239 1 . . 2 2 10 10 DC H6 H . . . 2 2 10 10 DC H4' H . . . . . 4.92 3.98 6.92 . . . . . B . 20 DC H6 . . B . 20 DC H4' . . . 20 . H6 . . . . . 20 . H4'' . . c17887_2lib 1 240 1 . . 2 2 10 10 DC H1' H . . . 2 2 10 10 DC H4' H . . . . . 2.92 2.72 4.92 . . . . . B . 20 DC H1' . . B . 20 DC H4' . . . 20 . H1'' . . . . . 20 . H4'' . . c17887_2lib 1 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 'distance constraint number 1' 1 1 1 33 c17887_2lib 1 2 'distance constraint number 2' 5 1 5 33 c17887_2lib 1 3 'distance constraint number 3' 9 1 9 33 c17887_2lib 1 4 'distance constraint number 4' 13 1 13 33 c17887_2lib 1 5 'distance constraint number 5' 17 1 17 33 c17887_2lib 1 6 'distance constraint number 6' 22 1 22 33 c17887_2lib 1 7 'distance constraint number 7' 27 1 27 33 c17887_2lib 1 8 'distance constraint number 8' 31 1 31 33 c17887_2lib 1 9 'distance constraint number 9' 35 1 35 33 c17887_2lib 1 10 'distance constraint number 10' 39 1 39 33 c17887_2lib 1 11 'distance constraint number 11' 43 1 43 33 c17887_2lib 1 12 'distance constraint number 12' 47 1 47 33 c17887_2lib 1 13 'distance constraint number 13' 51 1 51 33 c17887_2lib 1 14 'distance constraint number 14' 55 1 55 33 c17887_2lib 1 15 'distance constraint number 15' 59 1 59 33 c17887_2lib 1 16 'distance constraint number 16' 63 1 63 33 c17887_2lib 1 17 'distance constraint number 17' 67 1 67 33 c17887_2lib 1 18 'distance constraint number 18' 71 1 71 33 c17887_2lib 1 19 'distance constraint number 19' 75 1 75 33 c17887_2lib 1 20 'distance constraint number 20' 79 1 79 33 c17887_2lib 1 21 'distance constraint number 21' 83 1 83 33 c17887_2lib 1 22 'distance constraint number 22' 87 1 87 33 c17887_2lib 1 23 'distance constraint number 23' 91 1 91 33 c17887_2lib 1 24 'distance constraint number 24' 95 1 95 33 c17887_2lib 1 25 'distance constraint number 25' 99 1 99 33 c17887_2lib 1 26 'distance constraint number 26' 103 1 103 33 c17887_2lib 1 27 'distance constraint number 27' 107 1 107 33 c17887_2lib 1 28 'distance constraint number 28' 111 1 111 33 c17887_2lib 1 29 'distance constraint number 29' 115 1 115 33 c17887_2lib 1 30 'distance constraint number 30' 119 1 119 33 c17887_2lib 1 31 'distance constraint number 31' 123 1 123 33 c17887_2lib 1 32 'distance constraint number 32' 127 1 127 33 c17887_2lib 1 33 'distance constraint number 33' 131 1 131 33 c17887_2lib 1 34 'distance constraint number 34' 135 1 135 33 c17887_2lib 1 35 'distance constraint number 35' 139 1 139 33 c17887_2lib 1 36 'distance constraint number 36' 143 1 143 33 c17887_2lib 1 37 'distance constraint number 37' 147 1 147 33 c17887_2lib 1 38 'distance constraint number 38' 151 1 151 33 c17887_2lib 1 39 'distance constraint number 39' 155 1 155 33 c17887_2lib 1 40 'distance constraint number 40' 159 1 159 33 c17887_2lib 1 41 'distance constraint number 41' 163 1 163 33 c17887_2lib 1 42 'distance constraint number 42' 167 1 167 33 c17887_2lib 1 43 'distance constraint number 43' 171 1 171 33 c17887_2lib 1 44 'distance constraint number 44' 175 1 175 33 c17887_2lib 1 45 'distance constraint number 45' 179 1 179 33 c17887_2lib 1 46 'distance constraint number 46' 183 1 183 33 c17887_2lib 1 47 'distance constraint number 47' 187 1 187 33 c17887_2lib 1 48 'distance constraint number 48' 191 1 191 33 c17887_2lib 1 49 'distance constraint number 49' 195 1 195 33 c17887_2lib 1 50 'distance constraint number 50' 199 1 199 33 c17887_2lib 1 51 'distance constraint number 51' 203 1 203 33 c17887_2lib 1 52 'distance constraint number 52' 207 1 207 33 c17887_2lib 1 53 'distance constraint number 53' 211 1 211 33 c17887_2lib 1 54 'distance constraint number 54' 215 1 215 33 c17887_2lib 1 55 'distance constraint number 55' 219 1 219 33 c17887_2lib 1 56 'distance constraint number 56' 223 1 223 33 c17887_2lib 1 57 'distance constraint number 57' 227 1 227 33 c17887_2lib 1 58 'distance constraint number 58' 231 1 231 33 c17887_2lib 1 59 'distance constraint number 59' 235 1 235 33 c17887_2lib 1 60 'distance constraint number 60' 239 1 239 33 c17887_2lib 1 61 'distance constraint number 61' 243 1 243 33 c17887_2lib 1 62 'distance constraint number 62' 247 1 247 33 c17887_2lib 1 63 'distance constraint number 63' 251 1 251 33 c17887_2lib 1 64 'distance constraint number 64' 255 1 255 33 c17887_2lib 1 65 'distance constraint number 65' 259 1 259 33 c17887_2lib 1 66 'distance constraint number 66' 263 1 263 33 c17887_2lib 1 67 'distance constraint number 67' 267 1 267 33 c17887_2lib 1 68 'distance constraint number 68' 271 1 271 33 c17887_2lib 1 69 'distance constraint number 69' 275 1 275 33 c17887_2lib 1 70 'distance constraint number 70' 279 1 279 33 c17887_2lib 1 71 'distance constraint number 71' 283 1 283 33 c17887_2lib 1 72 'distance constraint number 72' 287 1 287 33 c17887_2lib 1 73 'distance constraint number 73' 291 1 291 33 c17887_2lib 1 74 'distance constraint number 74' 295 1 295 33 c17887_2lib 1 75 'distance constraint number 75' 299 1 299 33 c17887_2lib 1 76 'distance constraint number 76' 303 1 303 33 c17887_2lib 1 77 'distance constraint number 77' 307 1 307 33 c17887_2lib 1 78 'distance constraint number 78' 311 1 311 33 c17887_2lib 1 79 'distance constraint number 79' 315 1 315 33 c17887_2lib 1 80 'distance constraint number 80' 319 1 319 33 c17887_2lib 1 81 'distance constraint number 81' 323 1 323 33 c17887_2lib 1 82 'distance constraint number 82' 327 1 327 33 c17887_2lib 1 83 'distance constraint number 83' 331 1 331 33 c17887_2lib 1 84 'distance constraint number 84' 335 1 335 33 c17887_2lib 1 85 'distance constraint number 85' 339 1 339 33 c17887_2lib 1 86 'distance constraint number 86' 344 1 344 33 c17887_2lib 1 87 'distance constraint number 87' 349 1 349 33 c17887_2lib 1 88 'distance constraint number 88' 354 1 354 33 c17887_2lib 1 89 'distance constraint number 89' 359 1 359 33 c17887_2lib 1 90 'distance constraint number 90' 364 1 364 33 c17887_2lib 1 91 'distance constraint number 91' 368 1 368 33 c17887_2lib 1 92 'distance constraint number 92' 372 1 372 33 c17887_2lib 1 93 'distance constraint number 93' 376 1 376 33 c17887_2lib 1 94 'distance constraint number 94' 380 1 380 33 c17887_2lib 1 95 'distance constraint number 95' 384 1 384 33 c17887_2lib 1 96 'distance constraint number 96' 388 1 388 33 c17887_2lib 1 97 'distance constraint number 97' 392 1 392 33 c17887_2lib 1 98 'distance constraint number 98' 396 1 396 33 c17887_2lib 1 99 'distance constraint number 99' 400 1 400 33 c17887_2lib 1 100 'distance constraint number 100' 404 1 404 33 c17887_2lib 1 101 'distance constraint number 101' 408 1 408 33 c17887_2lib 1 102 'distance constraint number 102' 412 1 412 33 c17887_2lib 1 103 'distance constraint number 103' 416 1 416 33 c17887_2lib 1 104 'distance constraint number 104' 420 1 420 33 c17887_2lib 1 105 'distance constraint number 105' 424 1 424 33 c17887_2lib 1 106 'distance constraint number 106' 429 1 429 33 c17887_2lib 1 107 'distance constraint number 107' 433 1 433 33 c17887_2lib 1 108 'distance constraint number 108' 437 1 437 33 c17887_2lib 1 109 'distance constraint number 109' 441 1 441 33 c17887_2lib 1 110 'distance constraint number 110' 445 1 445 33 c17887_2lib 1 111 'distance constraint number 111' 449 1 449 33 c17887_2lib 1 112 'distance constraint number 112' 453 1 453 33 c17887_2lib 1 113 'distance constraint number 113' 457 1 457 33 c17887_2lib 1 114 'distance constraint number 114' 461 1 461 33 c17887_2lib 1 115 'distance constraint number 115' 465 1 465 33 c17887_2lib 1 116 'distance constraint number 116' 469 1 469 33 c17887_2lib 1 117 'distance constraint number 117' 473 1 473 33 c17887_2lib 1 118 'distance constraint number 118' 477 1 477 33 c17887_2lib 1 119 'distance constraint number 119' 481 1 481 33 c17887_2lib 1 120 'distance constraint number 120' 485 1 485 33 c17887_2lib 1 121 'distance constraint number 121' 489 1 489 33 c17887_2lib 1 122 'distance constraint number 122' 493 1 493 33 c17887_2lib 1 123 'distance constraint number 123' 497 1 497 33 c17887_2lib 1 124 'distance constraint number 124' 501 1 501 33 c17887_2lib 1 125 'distance constraint number 125' 505 1 505 33 c17887_2lib 1 126 'distance constraint number 126' 509 1 509 33 c17887_2lib 1 127 'distance constraint number 127' 513 1 513 33 c17887_2lib 1 128 'distance constraint number 128' 517 1 517 33 c17887_2lib 1 129 'distance constraint number 129' 521 1 521 33 c17887_2lib 1 130 'distance constraint number 130' 525 1 525 33 c17887_2lib 1 131 'distance constraint number 131' 529 1 529 33 c17887_2lib 1 132 'distance constraint number 132' 533 1 533 33 c17887_2lib 1 133 'distance constraint number 133' 537 1 537 33 c17887_2lib 1 134 'distance constraint number 134' 541 1 541 33 c17887_2lib 1 135 'distance constraint number 135' 546 1 546 33 c17887_2lib 1 136 'distance constraint number 136' 550 1 550 33 c17887_2lib 1 137 'distance constraint number 137' 554 1 554 33 c17887_2lib 1 138 'distance constraint number 138' 558 1 558 33 c17887_2lib 1 139 'distance constraint number 139' 562 1 562 33 c17887_2lib 1 140 'distance constraint number 140' 566 1 566 33 c17887_2lib 1 141 'distance constraint number 141' 570 1 570 33 c17887_2lib 1 142 'distance constraint number 142' 574 1 574 33 c17887_2lib 1 143 'distance constraint number 143' 578 1 578 33 c17887_2lib 1 144 'distance constraint number 144' 582 1 582 33 c17887_2lib 1 145 'distance constraint number 145' 587 1 587 33 c17887_2lib 1 146 'distance constraint number 146' 591 1 591 33 c17887_2lib 1 147 'distance constraint number 147' 595 1 595 33 c17887_2lib 1 148 'distance constraint number 148' 599 1 599 33 c17887_2lib 1 149 'distance constraint number 149' 603 1 603 33 c17887_2lib 1 150 'distance constraint number 150' 607 1 607 33 c17887_2lib 1 151 'distance constraint number 151' 611 1 611 33 c17887_2lib 1 152 'distance constraint number 152' 615 1 615 33 c17887_2lib 1 153 'distance constraint number 153' 619 1 619 33 c17887_2lib 1 154 'distance constraint number 154' 623 1 623 33 c17887_2lib 1 155 'distance constraint number 155' 627 1 627 33 c17887_2lib 1 156 'distance constraint number 156' 631 1 631 33 c17887_2lib 1 157 'distance constraint number 157' 635 1 635 33 c17887_2lib 1 158 'distance constraint number 158' 639 1 639 33 c17887_2lib 1 159 'distance constraint number 159' 643 1 643 33 c17887_2lib 1 160 'distance constraint number 160' 647 1 647 33 c17887_2lib 1 161 'distance constraint number 161' 651 1 651 33 c17887_2lib 1 162 'distance constraint number 162' 655 1 655 33 c17887_2lib 1 163 'distance constraint number 163' 659 1 659 33 c17887_2lib 1 164 'distance constraint number 164' 663 1 663 33 c17887_2lib 1 165 'distance constraint number 165' 667 1 667 33 c17887_2lib 1 166 'distance constraint number 166' 671 1 671 33 c17887_2lib 1 167 'distance constraint number 167' 675 1 675 33 c17887_2lib 1 168 'distance constraint number 168' 679 1 679 33 c17887_2lib 1 169 'distance constraint number 169' 683 1 683 33 c17887_2lib 1 170 'distance constraint number 170' 687 1 687 33 c17887_2lib 1 171 'distance constraint number 171' 691 1 691 33 c17887_2lib 1 172 'distance constraint number 172' 695 1 695 33 c17887_2lib 1 173 'distance constraint number 173' 699 1 699 33 c17887_2lib 1 174 'distance constraint number 174' 703 1 703 33 c17887_2lib 1 175 'distance constraint number 175' 707 1 707 33 c17887_2lib 1 176 'distance constraint number 176' 711 1 711 33 c17887_2lib 1 177 'distance constraint number 177' 715 1 715 33 c17887_2lib 1 178 'distance constraint number 178' 719 1 719 33 c17887_2lib 1 179 'distance constraint number 179' 723 1 723 33 c17887_2lib 1 180 'distance constraint number 180' 727 1 727 33 c17887_2lib 1 181 'distance constraint number 181' 731 1 731 33 c17887_2lib 1 182 'distance constraint number 182' 735 1 735 33 c17887_2lib 1 183 'distance constraint number 183' 739 1 739 33 c17887_2lib 1 184 'distance constraint number 184' 743 1 743 33 c17887_2lib 1 185 'distance constraint number 185' 747 1 747 33 c17887_2lib 1 186 'distance constraint number 186' 751 1 751 33 c17887_2lib 1 187 'distance constraint number 187' 755 1 755 33 c17887_2lib 1 188 'distance constraint number 188' 760 1 760 33 c17887_2lib 1 189 'distance constraint number 189' 764 1 764 33 c17887_2lib 1 190 'distance constraint number 190' 768 1 768 33 c17887_2lib 1 191 'distance constraint number 191' 772 1 772 33 c17887_2lib 1 192 'distance constraint number 192' 776 1 776 33 c17887_2lib 1 193 'distance constraint number 193' 780 1 780 33 c17887_2lib 1 194 'distance constraint number 194' 784 1 784 33 c17887_2lib 1 195 'distance constraint number 195' 789 1 789 33 c17887_2lib 1 196 'distance constraint number 196' 793 1 793 33 c17887_2lib 1 197 'distance constraint number 197' 797 1 797 33 c17887_2lib 1 198 'distance constraint number 198' 801 1 801 33 c17887_2lib 1 199 'distance constraint number 199' 805 1 805 33 c17887_2lib 1 200 'distance constraint number 200' 809 1 809 33 c17887_2lib 1 201 'distance constraint number 201' 813 1 813 33 c17887_2lib 1 202 'distance constraint number 202' 817 1 817 33 c17887_2lib 1 203 'distance constraint number 203' 821 1 821 33 c17887_2lib 1 204 'distance constraint number 204' 825 1 825 33 c17887_2lib 1 205 'distance constraint number 205' 830 1 830 33 c17887_2lib 1 206 'distance constraint number 206' 834 1 834 33 c17887_2lib 1 207 'distance constraint number 207' 838 1 838 33 c17887_2lib 1 208 'distance constraint number 208' 842 1 842 33 c17887_2lib 1 209 'distance constraint number 209' 846 1 846 33 c17887_2lib 1 210 'distance constraint number 210' 850 1 850 33 c17887_2lib 1 211 'distance constraint number 211' 854 1 854 33 c17887_2lib 1 212 'distance constraint number 212' 858 1 858 33 c17887_2lib 1 213 'distance constraint number 213' 862 1 862 33 c17887_2lib 1 214 'distance constraint number 214' 866 1 866 33 c17887_2lib 1 215 'distance constraint number 215' 870 1 870 33 c17887_2lib 1 216 'distance constraint number 216' 874 1 874 33 c17887_2lib 1 217 'distance constraint number 217' 879 1 879 33 c17887_2lib 1 218 'distance constraint number 218' 883 1 883 33 c17887_2lib 1 219 'distance constraint number 219' 887 1 887 33 c17887_2lib 1 220 'distance constraint number 220' 891 1 891 33 c17887_2lib 1 221 'distance constraint number 221' 895 1 895 33 c17887_2lib 1 222 'distance constraint number 222' 899 1 899 33 c17887_2lib 1 223 'distance constraint number 223' 903 1 903 33 c17887_2lib 1 224 'distance constraint number 224' 907 1 907 33 c17887_2lib 1 225 'distance constraint number 225' 911 1 911 33 c17887_2lib 1 226 'distance constraint number 226' 915 1 915 33 c17887_2lib 1 227 'distance constraint number 227' 919 1 919 33 c17887_2lib 1 228 'distance constraint number 228' 923 1 923 33 c17887_2lib 1 229 'distance constraint number 229' 927 1 927 33 c17887_2lib 1 230 'distance constraint number 230' 931 1 931 33 c17887_2lib 1 231 'distance constraint number 231' 935 1 935 33 c17887_2lib 1 232 'distance constraint number 232' 939 1 939 33 c17887_2lib 1 233 'distance constraint number 233' 943 1 943 33 c17887_2lib 1 234 'distance constraint number 234' 947 1 947 33 c17887_2lib 1 235 'distance constraint number 235' 951 1 951 33 c17887_2lib 1 236 'distance constraint number 236' 955 1 955 33 c17887_2lib 1 237 'distance constraint number 237' 959 1 959 33 c17887_2lib 1 238 'distance constraint number 238' 963 1 963 33 c17887_2lib 1 239 'distance constraint number 239' 967 1 967 33 c17887_2lib 1 240 'distance constraint number 240' 971 1 971 33 c17887_2lib 1 241 'distance constraint number 241' 975 1 975 33 c17887_2lib 1 242 'distance constraint number 242' 979 1 979 33 c17887_2lib 1 243 'distance constraint number 243' 983 1 983 33 c17887_2lib 1 244 'distance constraint number 244' 987 1 987 33 c17887_2lib 1 245 'distance constraint number 245' 991 1 991 33 c17887_2lib 1 246 'distance constraint number 246' 995 1 995 33 c17887_2lib 1 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 15 1 "Not handling restraint 15, item 1, resonance(s) ' .5.H2''1' (nmrStar names) not linked" c17887_2lib 1 2 3 16 1 "Not handling restraint 16, item 1, resonance(s) ' .5.H2''2' (nmrStar names) not linked" c17887_2lib 1 3 3 17 1 "Not handling restraint 17, item 1, resonance(s) ' .5.H2''2' (nmrStar names) not linked" c17887_2lib 1 4 3 22 1 "Not handling restraint 22, item 1, resonance(s) ' .5.H2''1' (nmrStar names) not linked" c17887_2lib 1 5 3 23 1 "Not handling restraint 23, item 1, resonance(s) ' .5.H2''2' (nmrStar names) not linked" c17887_2lib 1 6 3 153 1 "Not handling restraint 153, item 1, resonance(s) ' .5.H2''1' (nmrStar names) not linked" c17887_2lib 1 stop_ save_ save_AMBER_distance_constraints_5 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode AMBER_distance_constraints_5 _Gen_dist_constraint_list.Entry_ID c17887_2lib _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 . . . . c17887_2lib 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 H1 H . . . 1 1 2 2 DT H3 H . . . . . 5.0 2.0 6.0 . . . . . A . 1 DG H1 . . A . 2 DT H3 . . . 1 . H1 . . . . . 2 . H3 . . c17887_2lib 2 2 1 . . 1 1 2 2 DT H3 H . . . 2 2 8 8 DG H1 H . . . . . 5.0 2.0 6.0 . . . . . A . 2 DT H3 . . B . 18 DG H1 . . . 2 . H3 . . . . . 18 . H1 . . c17887_2lib 2 3 1 . . 2 2 2 2 DG H1 H . . . 2 2 3 3 DT H3 H . . . . . 5.0 2.0 6.0 . . . . . B . 12 DG H1 . . B . 13 DT H3 . . . 12 . H1 . . . . . 13 . H3 . . c17887_2lib 2 4 1 . . 2 2 3 3 DT H3 H . . . 1 1 7 7 DG H1 H . . . . . 5.0 2.0 6.0 . . . . . B . 13 DT H3 . . A . 7 DG H1 . . . 13 . H3 . . . . . 7 . H1 . . c17887_2lib 2 5 1 . . 2 2 8 8 DG H1 H . . . 2 2 7 7 DG H1 H . . . . . 5.0 2.0 6.0 . . . . . B . 18 DG H1 . . B . 17 DG H1 . . . 18 . H1 . . . . . 17 . H1 . . c17887_2lib 2 6 1 . . 2 2 9 9 DA H2 H . . . 1 1 2 2 DT H3 H . . . . . 5.0 2.0 6.0 . . . . . B . 19 DA H2 . . A . 2 DT H3 . . . 19 . H2 . . . . . 2 . H3 . . c17887_2lib 2 7 1 . . 1 1 8 8 DA H2 H . . . 2 2 3 3 DT H3 H . . . . . 5.0 2.0 6.0 . . . . . A . 8 DA H2 . . B . 13 DT H3 . . . 8 . H2 . . . . . 13 . H3 . . c17887_2lib 2 8 1 . . 1 1 5 5 A3A H2A H . . . 1 1 6 6 DG H1 H . . . . . 5.0 2.0 6.0 . . . . . A . 5 A3A H2A . . A . 6 DG H1 . . . 5 . H2 . . . . . 6 . H1 . . c17887_2lib 2 9 1 . . 2 2 7 7 DG H1 H . . . 1 1 5 5 A3A H2A H . . . . . 5.0 2.0 6.0 . . . . . B . 17 DG H1 . . A . 5 A3A H2A . . . 17 . H1 . . . . . 5 . H2 . . c17887_2lib 2 10 1 . . 1 1 8 8 DA H2 H . . . 2 2 2 2 DG H1 H . . . . . 5.0 2.0 6.0 . . . . . A . 8 DA H2 . . B . 12 DG H1 . . . 8 . H2 . . . . . 12 . H1 . . c17887_2lib 2 11 1 . . 1 1 8 8 DA H2 H . . . 1 1 7 7 DG H1 H . . . . . 5.0 2.0 6.0 . . . . . A . 8 DA H2 . . A . 7 DG H1 . . . 8 . H2 . . . . . 7 . H1 . . c17887_2lib 2 12 1 . . 2 2 9 9 DA H2 H . . . 2 2 8 8 DG H1 H . . . . . 5.0 2.0 6.0 . . . . . B . 19 DA H2 . . B . 18 DG H1 . . . 19 . H2 . . . . . 18 . H1 . . c17887_2lib 2 13 1 . . 1 1 1 1 DG H1 H . . . 2 2 10 10 DC H41 H . . . . . 5.0 2.0 6.0 . . . . . A . 1 DG H1 . . B . 20 DC H41 . . . 1 . H1 . . . . . 20 . H41 . . c17887_2lib 2 14 1 . . 1 1 1 1 DG H1 H . . . 2 2 10 10 DC H42 H . . . . . 5.0 2.0 6.0 . . . . . A . 1 DG H1 . . B . 20 DC H42 . . . 1 . H1 . . . . . 20 . H42 . . c17887_2lib 2 15 1 . . 2 2 2 2 DG H1 H . . . 1 1 9 9 DC H41 H . . . . . 5.0 2.0 6.0 . . . . . B . 12 DG H1 . . A . 9 DC H41 . . . 12 . H1 . . . . . 9 . H41 . . c17887_2lib 2 16 1 . . 2 2 2 2 DG H1 H . . . 1 1 9 9 DC H42 H . . . . . 5.0 2.0 6.0 . . . . . B . 12 DG H1 . . A . 9 DC H42 . . . 12 . H1 . . . . . 9 . H42 . . c17887_2lib 2 17 1 . . 1 1 6 6 DG H1 H . . . 2 2 5 5 DC H41 H . . . . . 5.0 2.0 6.0 . . . . . A . 6 DG H1 . . B . 15 DC H41 . . . 6 . H1 . . . . . 15 . H41 . . c17887_2lib 2 18 1 . . 1 1 6 6 DG H1 H . . . 2 2 5 5 DC H42 H . . . . . 5.0 2.0 6.0 . . . . . A . 6 DG H1 . . B . 15 DC H42 . . . 6 . H1 . . . . . 15 . H42 . . c17887_2lib 2 19 1 . . 1 1 7 7 DG H1 H . . . 2 2 4 4 DC H41 H . . . . . 5.0 2.0 6.0 . . . . . A . 7 DG H1 . . B . 14 DC H41 . . . 7 . H1 . . . . . 14 . H41 . . c17887_2lib 2 20 1 . . 1 1 7 7 DG H1 H . . . 2 2 4 4 DC H42 H . . . . . 5.0 2.0 6.0 . . . . . A . 7 DG H1 . . B . 14 DC H42 . . . 7 . H1 . . . . . 14 . H42 . . c17887_2lib 2 21 1 . . 2 2 8 8 DG H1 H . . . 1 1 3 3 DC H41 H . . . . . 5.0 2.0 6.0 . . . . . B . 18 DG H1 . . A . 3 DC H41 . . . 18 . H1 . . . . . 3 . H41 . . c17887_2lib 2 22 1 . . 2 2 8 8 DG H1 H . . . 1 1 3 3 DC H42 H . . . . . 5.0 2.0 6.0 . . . . . B . 18 DG H1 . . A . 3 DC H42 . . . 18 . H1 . . . . . 3 . H42 . . c17887_2lib 2 23 1 . . 2 2 7 7 DG H1 H . . . 1 1 4 4 DC H41 H . . . . . 5.0 2.0 6.0 . . . . . B . 17 DG H1 . . A . 4 DC H41 . . . 17 . H1 . . . . . 4 . H41 . . c17887_2lib 2 24 1 . . 2 2 7 7 DG H1 H . . . 1 1 4 4 DC H42 H . . . . . 5.0 2.0 6.0 . . . . . B . 17 DG H1 . . A . 4 DC H42 . . . 17 . H1 . . . . . 4 . H42 . . c17887_2lib 2 25 1 . . 1 1 5 5 A3A H2A H . . . 2 2 5 5 DC H41 H . . . . . 5.0 2.0 6.0 . . . . . A . 5 A3A H2A . . B . 15 DC H41 . . . 5 . H2 . . . . . 15 . H41 . . c17887_2lib 2 26 1 . . 1 1 5 5 A3A H2A H . . . 2 2 5 5 DC H42 H . . . . . 5.0 2.0 6.0 . . . . . A . 5 A3A H2A . . B . 15 DC H42 . . . 5 . H2 . . . . . 15 . H42 . . c17887_2lib 2 27 1 . . 1 1 5 5 A3A H2A H . . . 1 1 4 4 DC H41 H . . . . . 5.0 2.0 6.0 . . . . . A . 5 A3A H2A . . A . 4 DC H41 . . . 5 . H2 . . . . . 4 . H41 . . c17887_2lib 2 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 'distance constraint number 1' 1 1 1 33 c17887_2lib 2 2 'distance constraint number 2' 5 1 5 33 c17887_2lib 2 3 'distance constraint number 3' 9 1 9 33 c17887_2lib 2 4 'distance constraint number 4' 13 1 13 33 c17887_2lib 2 5 'distance constraint number 5' 17 1 17 33 c17887_2lib 2 6 'distance constraint number 6' 21 1 21 33 c17887_2lib 2 7 'distance constraint number 7' 25 1 25 33 c17887_2lib 2 8 'distance constraint number 8' 29 1 29 33 c17887_2lib 2 9 'distance constraint number 9' 33 1 33 33 c17887_2lib 2 10 'distance constraint number 10' 37 1 37 34 c17887_2lib 2 11 'distance constraint number 11' 41 1 41 34 c17887_2lib 2 12 'distance constraint number 12' 45 1 45 34 c17887_2lib 2 13 'distance constraint number 13' 49 1 49 34 c17887_2lib 2 14 'distance constraint number 14' 53 1 53 34 c17887_2lib 2 15 'distance constraint number 15' 57 1 57 34 c17887_2lib 2 16 'distance constraint number 16' 61 1 61 34 c17887_2lib 2 17 'distance constraint number 17' 65 1 65 34 c17887_2lib 2 18 'distance constraint number 18' 69 1 69 34 c17887_2lib 2 19 'distance constraint number 19' 73 1 73 34 c17887_2lib 2 20 'distance constraint number 20' 77 1 77 34 c17887_2lib 2 21 'distance constraint number 21' 81 1 81 34 c17887_2lib 2 22 'distance constraint number 22' 85 1 85 34 c17887_2lib 2 23 'distance constraint number 23' 89 1 89 34 c17887_2lib 2 24 'distance constraint number 24' 93 1 93 34 c17887_2lib 2 25 'distance constraint number 25' 97 1 97 34 c17887_2lib 2 26 'distance constraint number 26' 101 1 101 34 c17887_2lib 2 27 'distance constraint number 27' 105 1 105 34 c17887_2lib 2 stop_ save_ save_AMBER_distance_constraints_4 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode AMBER_distance_constraints_4 _Gen_dist_constraint_list.Entry_ID c17887_2lib _Gen_dist_constraint_list.ID 2 _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 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 . . . . c17887_2lib 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 1 1 DG O6 O . . . 2 2 10 10 DC N4 N . . . . . 3.01 2.81 3.51 . . . . . A . 1 DG O6 . . B . 20 DC N4 . . . 1 . O6 . . . . . 20 . N4 . . c17887_2lib 3 2 1 . . 1 1 1 1 DG N1 N . . . 2 2 10 10 DC N3 N . . . . . 3.05 2.85 3.55 . . . . . A . 1 DG N1 . . B . 20 DC N3 . . . 1 . N1 . . . . . 20 . N3 . . c17887_2lib 3 3 1 . . 1 1 1 1 DG N2 N . . . 2 2 10 10 DC O2 O . . . . . 2.96 2.76 3.46 . . . . . A . 1 DG N2 . . B . 20 DC O2 . . . 1 . N2 . . . . . 20 . O2 . . c17887_2lib 3 4 1 . . 2 2 8 8 DG O6 O . . . 1 1 3 3 DC N4 N . . . . . 3.01 2.81 3.51 . . . . . B . 18 DG O6 . . A . 3 DC N4 . . . 18 . O6 . . . . . 3 . N4 . . c17887_2lib 3 5 1 . . 2 2 8 8 DG N1 N . . . 1 1 3 3 DC N3 N . . . . . 3.05 2.85 3.55 . . . . . B . 18 DG N1 . . A . 3 DC N3 . . . 18 . N1 . . . . . 3 . N3 . . c17887_2lib 3 6 1 . . 2 2 8 8 DG N2 N . . . 1 1 3 3 DC O2 O . . . . . 2.96 2.76 3.46 . . . . . B . 18 DG N2 . . A . 3 DC O2 . . . 18 . N2 . . . . . 3 . O2 . . c17887_2lib 3 7 1 . . 2 2 7 7 DG O6 O . . . 1 1 4 4 DC N4 N . . . . . 3.01 2.81 3.51 . . . . . B . 17 DG O6 . . A . 4 DC N4 . . . 17 . O6 . . . . . 4 . N4 . . c17887_2lib 3 8 1 . . 2 2 7 7 DG N1 N . . . 1 1 4 4 DC N3 N . . . . . 3.05 2.85 3.55 . . . . . B . 17 DG N1 . . A . 4 DC N3 . . . 17 . N1 . . . . . 4 . N3 . . c17887_2lib 3 9 1 . . 2 2 7 7 DG N2 N . . . 1 1 4 4 DC O2 O . . . . . 2.96 2.76 3.46 . . . . . B . 17 DG N2 . . A . 4 DC O2 . . . 17 . N2 . . . . . 4 . O2 . . c17887_2lib 3 10 1 . . 1 1 6 6 DG O6 O . . . 2 2 5 5 DC N4 N . . . . . 3.01 2.81 3.51 . . . . . A . 6 DG O6 . . B . 15 DC N4 . . . 6 . O6 . . . . . 15 . N4 . . c17887_2lib 3 11 1 . . 1 1 6 6 DG N1 N . . . 2 2 5 5 DC N3 N . . . . . 3.05 2.85 3.55 . . . . . A . 6 DG N1 . . B . 15 DC N3 . . . 6 . N1 . . . . . 15 . N3 . . c17887_2lib 3 12 1 . . 1 1 6 6 DG N2 N . . . 2 2 5 5 DC O2 O . . . . . 2.96 2.76 3.46 . . . . . A . 6 DG N2 . . B . 15 DC O2 . . . 6 . N2 . . . . . 15 . O2 . . c17887_2lib 3 13 1 . . 1 1 7 7 DG O6 O . . . 2 2 4 4 DC N4 N . . . . . 3.01 2.81 3.51 . . . . . A . 7 DG O6 . . B . 14 DC N4 . . . 7 . O6 . . . . . 14 . N4 . . c17887_2lib 3 14 1 . . 1 1 7 7 DG N1 N . . . 2 2 4 4 DC N3 N . . . . . 3.05 2.85 3.55 . . . . . A . 7 DG N1 . . B . 14 DC N3 . . . 7 . N1 . . . . . 14 . N3 . . c17887_2lib 3 15 1 . . 1 1 7 7 DG N2 N . . . 2 2 4 4 DC O2 O . . . . . 2.96 2.76 3.46 . . . . . A . 7 DG N2 . . B . 14 DC O2 . . . 7 . N2 . . . . . 14 . O2 . . c17887_2lib 3 16 1 . . 2 2 2 2 DG O6 O . . . 1 1 9 9 DC N4 N . . . . . 3.01 2.81 3.51 . . . . . B . 12 DG O6 . . A . 9 DC N4 . . . 12 . O6 . . . . . 9 . N4 . . c17887_2lib 3 17 1 . . 2 2 2 2 DG N1 N . . . 1 1 9 9 DC N3 N . . . . . 3.05 2.85 3.55 . . . . . B . 12 DG N1 . . A . 9 DC N3 . . . 12 . N1 . . . . . 9 . N3 . . c17887_2lib 3 18 1 . . 2 2 2 2 DG N2 N . . . 1 1 9 9 DC O2 O . . . . . 2.96 2.76 3.46 . . . . . B . 12 DG N2 . . A . 9 DC O2 . . . 12 . N2 . . . . . 9 . O2 . . c17887_2lib 3 19 1 . . 1 1 10 10 DG O6 O . . . 2 2 1 1 DC N4 N . . . . . 3.01 2.81 3.51 . . . . . A . 10 DG O6 . . B . 11 DC N4 . . . 10 . O6 . . . . . 11 . N4 . . c17887_2lib 3 20 1 . . 1 1 10 10 DG N1 N . . . 2 2 1 1 DC N3 N . . . . . 3.05 2.85 3.55 . . . . . A . 10 DG N1 . . B . 11 DC N3 . . . 10 . N1 . . . . . 11 . N3 . . c17887_2lib 3 21 1 . . 1 1 10 10 DG N2 N . . . 2 2 1 1 DC O2 O . . . . . 2.96 2.76 3.46 . . . . . A . 10 DG N2 . . B . 11 DC O2 . . . 10 . N2 . . . . . 11 . O2 . . c17887_2lib 3 22 1 . . 2 2 9 9 DA N1 N . . . 1 1 2 2 DT N3 N . . . . . 2.92 2.72 3.42 . . . . . B . 19 DA N1 . . A . 2 DT N3 . . . 19 . N1 . . . . . 2 . N3 . . c17887_2lib 3 23 1 . . 2 2 9 9 DA N6 N . . . 1 1 2 2 DT O4 O . . . . . 3.05 2.85 3.55 . . . . . B . 19 DA N6 . . A . 2 DT O4 . . . 19 . N6 . . . . . 2 . O4 . . c17887_2lib 3 24 1 . . 1 1 8 8 DA N1 N . . . 2 2 3 3 DT N3 N . . . . . 2.92 2.72 3.42 . . . . . A . 8 DA N1 . . B . 13 DT N3 . . . 8 . N1 . . . . . 13 . N3 . . c17887_2lib 3 25 1 . . 1 1 8 8 DA N6 N . . . 2 2 3 3 DT O4 O . . . . . 3.05 2.85 3.55 . . . . . A . 8 DA N6 . . B . 13 DT O4 . . . 8 . N6 . . . . . 13 . O4 . . c17887_2lib 3 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 'G-C base pairs: 1-20,18-3,17-4,15-6,7-14,12-9,10-11:' 1 1 1 55 c17887_2lib 3 2 'A-T base pairs: 19-2,8-13: (5-16 rk=5.0)' 73 1 73 43 c17887_2lib 3 3 'H2O rst' 89 1 89 9 c17887_2lib 3 stop_ save_ save_AMBER_dihedral_2 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode AMBER_dihedral_2 _Torsion_angle_constraint_list.Entry_ID c17887_2lib _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 . . . . c17887_2lib 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 . . 1 1 1 1 DG C4' C . . 1 1 1 1 DG O4' O . . 1 1 1 1 DG C1' C . . 1 1 1 1 DG C2' C . -49.8 -19.8 . . . A . 1 DG C4' . . A . 1 DG O4' . . A . 1 DG C1' . . A . 1 DG C2' . 2lib_ambr001 . 1 GUA C4' . . . 2lib_ambr001 . 1 GUA O4' . . . 2lib_ambr001 . 1 GUA C1' . . . 2lib_ambr001 . 1 GUA C2' . . c17887_2lib 1 2 . . 1 1 1 1 DG O4' O . . 1 1 1 1 DG C1' C . . 1 1 1 1 DG C2' C . . 1 1 1 1 DG C3' C . 10.2 40.2 . . . A . 1 DG O4' . . A . 1 DG C1' . . A . 1 DG C2' . . A . 1 DG C3' . 2lib_ambr001 . 1 GUA O4' . . . 2lib_ambr001 . 1 GUA C1' . . . 2lib_ambr001 . 1 GUA C2' . . . 2lib_ambr001 . 1 GUA C3' . . c17887_2lib 1 3 . . 1 1 1 1 DG C1' C . . 1 1 1 1 DG C2' C . . 1 1 1 1 DG C3' C . . 1 1 1 1 DG C4' C . -31.1 11.9 . . . A . 1 DG C1' . . A . 1 DG C2' . . A . 1 DG C3' . . A . 1 DG C4' . 2lib_ambr001 . 1 GUA C1' . . . 2lib_ambr001 . 1 GUA C2' . . . 2lib_ambr001 . 1 GUA C3' . . . 2lib_ambr001 . 1 GUA C4' . . c17887_2lib 1 4 . . 1 1 1 1 DG C2' C . . 1 1 1 1 DG C3' C . . 1 1 1 1 DG C4' C . . 1 1 1 1 DG O4' O . -31.1 11.9 . . . A . 1 DG C2' . . A . 1 DG C3' . . A . 1 DG C4' . . A . 1 DG O4' . 2lib_ambr001 . 1 GUA C2' . . . 2lib_ambr001 . 1 GUA C3' . . . 2lib_ambr001 . 1 GUA C4' . . . 2lib_ambr001 . 1 GUA O4' . . c17887_2lib 1 5 . . 1 1 1 1 DG C3' C . . 1 1 1 1 DG C4' C . . 1 1 1 1 DG O4' O . . 1 1 1 1 DG C1' C . 10.2 40.2 . . . A . 1 DG C3' . . A . 1 DG C4' . . A . 1 DG O4' . . A . 1 DG C1' . 2lib_ambr001 . 1 GUA C3' . . . 2lib_ambr001 . 1 GUA C4' . . . 2lib_ambr001 . 1 GUA O4' . . . 2lib_ambr001 . 1 GUA C1' . . c17887_2lib 1 6 . . 1 1 2 2 DT C4' C . . 1 1 2 2 DT O4' O . . 1 1 2 2 DT C1' C . . 1 1 2 2 DT C2' C . -43.5 -13.5 . . . A . 2 DT C4' . . A . 2 DT O4' . . A . 2 DT C1' . . A . 2 DT C2' . 2lib_ambr001 . 2 THY C4' . . . 2lib_ambr001 . 2 THY O4' . . . 2lib_ambr001 . 2 THY C1' . . . 2lib_ambr001 . 2 THY C2' . . c17887_2lib 1 7 . . 1 1 2 2 DT O4' O . . 1 1 2 2 DT C1' C . . 1 1 2 2 DT C2' C . . 1 1 2 2 DT C3' C . 22.6 52.6 . . . A . 2 DT O4' . . A . 2 DT C1' . . A . 2 DT C2' . . A . 2 DT C3' . 2lib_ambr001 . 2 THY O4' . . . 2lib_ambr001 . 2 THY C1' . . . 2lib_ambr001 . 2 THY C2' . . . 2lib_ambr001 . 2 THY C3' . . c17887_2lib 1 8 . . 1 1 2 2 DT C1' C . . 1 1 2 2 DT C2' C . . 1 1 2 2 DT C3' C . . 1 1 2 2 DT C4' C . -46.9 -16.9 . . . A . 2 DT C1' . . A . 2 DT C2' . . A . 2 DT C3' . . A . 2 DT C4' . 2lib_ambr001 . 2 THY C1' . . . 2lib_ambr001 . 2 THY C2' . . . 2lib_ambr001 . 2 THY C3' . . . 2lib_ambr001 . 2 THY C4' . . c17887_2lib 1 9 . . 1 1 2 2 DT C2' C . . 1 1 2 2 DT C3' C . . 1 1 2 2 DT C4' C . . 1 1 2 2 DT O4' O . -0.7 29.3 . . . A . 2 DT C2' . . A . 2 DT C3' . . A . 2 DT C4' . . A . 2 DT O4' . 2lib_ambr001 . 2 THY C2' . . . 2lib_ambr001 . 2 THY C3' . . . 2lib_ambr001 . 2 THY C4' . . . 2lib_ambr001 . 2 THY O4' . . c17887_2lib 1 10 . . 1 1 2 2 DT C3' C . . 1 1 2 2 DT C4' C . . 1 1 2 2 DT O4' O . . 1 1 2 2 DT C1' C . -6.2 23.8 . . . A . 2 DT C3' . . A . 2 DT C4' . . A . 2 DT O4' . . A . 2 DT C1' . 2lib_ambr001 . 2 THY C3' . . . 2lib_ambr001 . 2 THY C4' . . . 2lib_ambr001 . 2 THY O4' . . . 2lib_ambr001 . 2 THY C1' . . c17887_2lib 1 11 . . 1 1 3 3 DC C4' C . . 1 1 3 3 DC O4' O . . 1 1 3 3 DC C1' C . . 1 1 3 3 DC C2' C . -42.8 -12.8 . . . A . 3 DC C4' . . A . 3 DC O4' . . A . 3 DC C1' . . A . 3 DC C2' . 2lib_ambr001 . 3 CYT C4' . . . 2lib_ambr001 . 3 CYT O4' . . . 2lib_ambr001 . 3 CYT C1' . . . 2lib_ambr001 . 3 CYT C2' . . c17887_2lib 1 12 . . 1 1 3 3 DC O4' O . . 1 1 3 3 DC C1' C . . 1 1 3 3 DC C2' C . . 1 1 3 3 DC C3' C . 22.0 52.0 . . . A . 3 DC O4' . . A . 3 DC C1' . . A . 3 DC C2' . . A . 3 DC C3' . 2lib_ambr001 . 3 CYT O4' . . . 2lib_ambr001 . 3 CYT C1' . . . 2lib_ambr001 . 3 CYT C2' . . . 2lib_ambr001 . 3 CYT C3' . . c17887_2lib 1 13 . . 1 1 3 3 DC C1' C . . 1 1 3 3 DC C2' C . . 1 1 3 3 DC C3' C . . 1 1 3 3 DC C4' C . -46.1 -16.1 . . . A . 3 DC C1' . . A . 3 DC C2' . . A . 3 DC C3' . . A . 3 DC C4' . 2lib_ambr001 . 3 CYT C1' . . . 2lib_ambr001 . 3 CYT C2' . . . 2lib_ambr001 . 3 CYT C3' . . . 2lib_ambr001 . 3 CYT C4' . . c17887_2lib 1 14 . . 1 1 3 3 DC C2' C . . 1 1 3 3 DC C3' C . . 1 1 3 3 DC C4' C . . 1 1 3 3 DC O4' O . -1.0 29.0 . . . A . 3 DC C2' . . A . 3 DC C3' . . A . 3 DC C4' . . A . 3 DC O4' . 2lib_ambr001 . 3 CYT C2' . . . 2lib_ambr001 . 3 CYT C3' . . . 2lib_ambr001 . 3 CYT C4' . . . 2lib_ambr001 . 3 CYT O4' . . c17887_2lib 1 15 . . 1 1 3 3 DC C3' C . . 1 1 3 3 DC C4' C . . 1 1 3 3 DC O4' O . . 1 1 3 3 DC C1' C . -6.4 23.6 . . . A . 3 DC C3' . . A . 3 DC C4' . . A . 3 DC O4' . . A . 3 DC C1' . 2lib_ambr001 . 3 CYT C3' . . . 2lib_ambr001 . 3 CYT C4' . . . 2lib_ambr001 . 3 CYT O4' . . . 2lib_ambr001 . 3 CYT C1' . . c17887_2lib 1 16 . . 1 1 4 4 DC C4' C . . 1 1 4 4 DC O4' O . . 1 1 4 4 DC C1' C . . 1 1 4 4 DC C2' C . -44.6 -14.6 . . . A . 4 DC C4' . . A . 4 DC O4' . . A . 4 DC C1' . . A . 4 DC C2' . 2lib_ambr001 . 4 CYT C4' . . . 2lib_ambr001 . 4 CYT O4' . . . 2lib_ambr001 . 4 CYT C1' . . . 2lib_ambr001 . 4 CYT C2' . . c17887_2lib 1 17 . . 1 1 4 4 DC O4' O . . 1 1 4 4 DC C1' C . . 1 1 4 4 DC C2' C . . 1 1 4 4 DC C3' C . 22.6 52.6 . . . A . 4 DC O4' . . A . 4 DC C1' . . A . 4 DC C2' . . A . 4 DC C3' . 2lib_ambr001 . 4 CYT O4' . . . 2lib_ambr001 . 4 CYT C1' . . . 2lib_ambr001 . 4 CYT C2' . . . 2lib_ambr001 . 4 CYT C3' . . c17887_2lib 1 18 . . 1 1 4 4 DC C1' C . . 1 1 4 4 DC C2' C . . 1 1 4 4 DC C3' C . . 1 1 4 4 DC C4' C . -44.6 -14.6 . . . A . 4 DC C1' . . A . 4 DC C2' . . A . 4 DC C3' . . A . 4 DC C4' . 2lib_ambr001 . 4 CYT C1' . . . 2lib_ambr001 . 4 CYT C2' . . . 2lib_ambr001 . 4 CYT C3' . . . 2lib_ambr001 . 4 CYT C4' . . c17887_2lib 1 19 . . 1 1 4 4 DC C2' C . . 1 1 4 4 DC C3' C . . 1 1 4 4 DC C4' C . . 1 1 4 4 DC O4' O . -3.7 26.3 . . . A . 4 DC C2' . . A . 4 DC C3' . . A . 4 DC C4' . . A . 4 DC O4' . 2lib_ambr001 . 4 CYT C2' . . . 2lib_ambr001 . 4 CYT C3' . . . 2lib_ambr001 . 4 CYT C4' . . . 2lib_ambr001 . 4 CYT O4' . . c17887_2lib 1 20 . . 1 1 4 4 DC C3' C . . 1 1 4 4 DC C4' C . . 1 1 4 4 DC O4' O . . 1 1 4 4 DC C1' C . -3.7 26.3 . . . A . 4 DC C3' . . A . 4 DC C4' . . A . 4 DC O4' . . A . 4 DC C1' . 2lib_ambr001 . 4 CYT C3' . . . 2lib_ambr001 . 4 CYT C4' . . . 2lib_ambr001 . 4 CYT O4' . . . 2lib_ambr001 . 4 CYT C1' . . c17887_2lib 1 21 . . 1 1 6 6 DG C4' C . . 1 1 6 6 DG O4' O . . 1 1 6 6 DG C1' C . . 1 1 6 6 DG C2' C . -50.4 -20.4 . . . A . 6 DG C4' . . A . 6 DG O4' . . A . 6 DG C1' . . A . 6 DG C2' . 2lib_ambr001 . 6 GUA C4' . . . 2lib_ambr001 . 6 GUA O4' . . . 2lib_ambr001 . 6 GUA C1' . . . 2lib_ambr001 . 6 GUA C2' . . c17887_2lib 1 22 . . 1 1 6 6 DG O4' O . . 1 1 6 6 DG C1' C . . 1 1 6 6 DG C2' C . . 1 1 6 6 DG C3' C . 9.9 39.9 . . . A . 6 DG O4' . . A . 6 DG C1' . . A . 6 DG C2' . . A . 6 DG C3' . 2lib_ambr001 . 6 GUA O4' . . . 2lib_ambr001 . 6 GUA C1' . . . 2lib_ambr001 . 6 GUA C2' . . . 2lib_ambr001 . 6 GUA C3' . . c17887_2lib 1 23 . . 1 1 6 6 DG C1' C . . 1 1 6 6 DG C2' C . . 1 1 6 6 DG C3' C . . 1 1 6 6 DG C4' C . -21.0 10.0 . . . A . 6 DG C1' . . A . 6 DG C2' . . A . 6 DG C3' . . A . 6 DG C4' . 2lib_ambr001 . 6 GUA C1' . . . 2lib_ambr001 . 6 GUA C2' . . . 2lib_ambr001 . 6 GUA C3' . . . 2lib_ambr001 . 6 GUA C4' . . c17887_2lib 1 24 . . 1 1 6 6 DG C2' C . . 1 1 6 6 DG C3' C . . 1 1 6 6 DG C4' C . . 1 1 6 6 DG O4' O . -31.0 -1.0 . . . A . 6 DG C2' . . A . 6 DG C3' . . A . 6 DG C4' . . A . 6 DG O4' . 2lib_ambr001 . 6 GUA C2' . . . 2lib_ambr001 . 6 GUA C3' . . . 2lib_ambr001 . 6 GUA C4' . . . 2lib_ambr001 . 6 GUA O4' . . c17887_2lib 1 25 . . 1 1 6 6 DG C3' C . . 1 1 6 6 DG C4' C . . 1 1 6 6 DG O4' O . . 1 1 6 6 DG C1' C . 16.3 46.3 . . . A . 6 DG C3' . . A . 6 DG C4' . . A . 6 DG O4' . . A . 6 DG C1' . 2lib_ambr001 . 6 GUA C3' . . . 2lib_ambr001 . 6 GUA C4' . . . 2lib_ambr001 . 6 GUA O4' . . . 2lib_ambr001 . 6 GUA C1' . . c17887_2lib 1 26 . . 1 1 7 7 DG C4' C . . 1 1 7 7 DG O4' O . . 1 1 7 7 DG C1' C . . 1 1 7 7 DG C2' C . -43.5 -13.5 . . . A . 7 DG C4' . . A . 7 DG O4' . . A . 7 DG C1' . . A . 7 DG C2' . 2lib_ambr001 . 7 GUA C4' . . . 2lib_ambr001 . 7 GUA O4' . . . 2lib_ambr001 . 7 GUA C1' . . . 2lib_ambr001 . 7 GUA C2' . . c17887_2lib 1 27 . . 1 1 7 7 DG O4' O . . 1 1 7 7 DG C1' C . . 1 1 7 7 DG C2' C . . 1 1 7 7 DG C3' C . 21.8 51.8 . . . A . 7 DG O4' . . A . 7 DG C1' . . A . 7 DG C2' . . A . 7 DG C3' . 2lib_ambr001 . 7 GUA O4' . . . 2lib_ambr001 . 7 GUA C1' . . . 2lib_ambr001 . 7 GUA C2' . . . 2lib_ambr001 . 7 GUA C3' . . c17887_2lib 1 28 . . 1 1 7 7 DG C1' C . . 1 1 7 7 DG C2' C . . 1 1 7 7 DG C3' C . . 1 1 7 7 DG C4' C . -43.4 -13.4 . . . A . 7 DG C1' . . A . 7 DG C2' . . A . 7 DG C3' . . A . 7 DG C4' . 2lib_ambr001 . 7 GUA C1' . . . 2lib_ambr001 . 7 GUA C2' . . . 2lib_ambr001 . 7 GUA C3' . . . 2lib_ambr001 . 7 GUA C4' . . c17887_2lib 1 29 . . 1 1 7 7 DG C2' C . . 1 1 7 7 DG C3' C . . 1 1 7 7 DG C4' C . . 1 1 7 7 DG O4' O . -4.1 25.9 . . . A . 7 DG C2' . . A . 7 DG C3' . . A . 7 DG C4' . . A . 7 DG O4' . 2lib_ambr001 . 7 GUA C2' . . . 2lib_ambr001 . 7 GUA C3' . . . 2lib_ambr001 . 7 GUA C4' . . . 2lib_ambr001 . 7 GUA O4' . . c17887_2lib 1 30 . . 1 1 7 7 DG C3' C . . 1 1 7 7 DG C4' C . . 1 1 7 7 DG O4' O . . 1 1 7 7 DG C1' C . -4.1 25.9 . . . A . 7 DG C3' . . A . 7 DG C4' . . A . 7 DG O4' . . A . 7 DG C1' . 2lib_ambr001 . 7 GUA C3' . . . 2lib_ambr001 . 7 GUA C4' . . . 2lib_ambr001 . 7 GUA O4' . . . 2lib_ambr001 . 7 GUA C1' . . c17887_2lib 1 31 . . 1 1 8 8 DA C4' C . . 1 1 8 8 DA O4' O . . 1 1 8 8 DA C1' C . . 1 1 8 8 DA C2' C . -37.7 0.0 . . . A . 8 DA C4' . . A . 8 DA O4' . . A . 8 DA C1' . . A . 8 DA C2' . 2lib_ambr001 . 8 ADE C4' . . . 2lib_ambr001 . 8 ADE O4' . . . 2lib_ambr001 . 8 ADE C1' . . . 2lib_ambr001 . 8 ADE C2' . . c17887_2lib 1 32 . . 1 1 8 8 DA O4' O . . 1 1 8 8 DA C1' C . . 1 1 8 8 DA C2' C . . 1 1 8 8 DA C3' C . 15.6 45.6 . . . A . 8 DA O4' . . A . 8 DA C1' . . A . 8 DA C2' . . A . 8 DA C3' . 2lib_ambr001 . 8 ADE O4' . . . 2lib_ambr001 . 8 ADE C1' . . . 2lib_ambr001 . 8 ADE C2' . . . 2lib_ambr001 . 8 ADE C3' . . c17887_2lib 1 33 . . 1 1 8 8 DA C1' C . . 1 1 8 8 DA C2' C . . 1 1 8 8 DA C3' C . . 1 1 8 8 DA C4' C . -43.9 -13.9 . . . A . 8 DA C1' . . A . 8 DA C2' . . A . 8 DA C3' . . A . 8 DA C4' . 2lib_ambr001 . 8 ADE C1' . . . 2lib_ambr001 . 8 ADE C2' . . . 2lib_ambr001 . 8 ADE C3' . . . 2lib_ambr001 . 8 ADE C4' . . c17887_2lib 1 34 . . 1 1 8 8 DA C2' C . . 1 1 8 8 DA C3' C . . 1 1 8 8 DA C4' C . . 1 1 8 8 DA O4' O . -4.0 36.6 . . . A . 8 DA C2' . . A . 8 DA C3' . . A . 8 DA C4' . . A . 8 DA O4' . 2lib_ambr001 . 8 ADE C2' . . . 2lib_ambr001 . 8 ADE C3' . . . 2lib_ambr001 . 8 ADE C4' . . . 2lib_ambr001 . 8 ADE O4' . . c17887_2lib 1 35 . . 1 1 8 8 DA C3' C . . 1 1 8 8 DA C4' C . . 1 1 8 8 DA O4' O . . 1 1 8 8 DA C1' C . -22.6 25.8 . . . A . 8 DA C3' . . A . 8 DA C4' . . A . 8 DA O4' . . A . 8 DA C1' . 2lib_ambr001 . 8 ADE C3' . . . 2lib_ambr001 . 8 ADE C4' . . . 2lib_ambr001 . 8 ADE O4' . . . 2lib_ambr001 . 8 ADE C1' . . c17887_2lib 1 36 . . 1 1 9 9 DC C4' C . . 1 1 9 9 DC O4' O . . 1 1 9 9 DC C1' C . . 1 1 9 9 DC C2' C . -48.1 -18.1 . . . A . 9 DC C4' . . A . 9 DC O4' . . A . 9 DC C1' . . A . 9 DC C2' . 2lib_ambr001 . 9 CYT C4' . . . 2lib_ambr001 . 9 CYT O4' . . . 2lib_ambr001 . 9 CYT C1' . . . 2lib_ambr001 . 9 CYT C2' . . c17887_2lib 1 37 . . 1 1 9 9 DC O4' O . . 1 1 9 9 DC C1' C . . 1 1 9 9 DC C2' C . . 1 1 9 9 DC C3' C . 19.8 49.8 . . . A . 9 DC O4' . . A . 9 DC C1' . . A . 9 DC C2' . . A . 9 DC C3' . 2lib_ambr001 . 9 CYT O4' . . . 2lib_ambr001 . 9 CYT C1' . . . 2lib_ambr001 . 9 CYT C2' . . . 2lib_ambr001 . 9 CYT C3' . . c17887_2lib 1 38 . . 1 1 9 9 DC C1' C . . 1 1 9 9 DC C2' C . . 1 1 9 9 DC C3' C . . 1 1 9 9 DC C4' C . -37.9 -7.9 . . . A . 9 DC C1' . . A . 9 DC C2' . . A . 9 DC C3' . . A . 9 DC C4' . 2lib_ambr001 . 9 CYT C1' . . . 2lib_ambr001 . 9 CYT C2' . . . 2lib_ambr001 . 9 CYT C3' . . . 2lib_ambr001 . 9 CYT C4' . . c17887_2lib 1 39 . . 1 1 9 9 DC C2' C . . 1 1 9 9 DC C3' C . . 1 1 9 9 DC C4' C . . 1 1 9 9 DC O4' O . -12.5 17.5 . . . A . 9 DC C2' . . A . 9 DC C3' . . A . 9 DC C4' . . A . 9 DC O4' . 2lib_ambr001 . 9 CYT C2' . . . 2lib_ambr001 . 9 CYT C3' . . . 2lib_ambr001 . 9 CYT C4' . . . 2lib_ambr001 . 9 CYT O4' . . c17887_2lib 1 40 . . 1 1 9 9 DC C3' C . . 1 1 9 9 DC C4' C . . 1 1 9 9 DC O4' O . . 1 1 9 9 DC C1' C . 3.9 33.9 . . . A . 9 DC C3' . . A . 9 DC C4' . . A . 9 DC O4' . . A . 9 DC C1' . 2lib_ambr001 . 9 CYT C3' . . . 2lib_ambr001 . 9 CYT C4' . . . 2lib_ambr001 . 9 CYT O4' . . . 2lib_ambr001 . 9 CYT C1' . . c17887_2lib 1 41 . . 1 1 10 10 DG C4' C . . 1 1 10 10 DG O4' O . . 1 1 10 10 DG C1' C . . 1 1 10 10 DG C2' C . -45.2 -15.2 . . . A . 10 DG C4' . . A . 10 DG O4' . . A . 10 DG C1' . . A . 10 DG C2' . 2lib_ambr001 . 10 GUA C4' . . . 2lib_ambr001 . 10 GUA O4' . . . 2lib_ambr001 . 10 GUA C1' . . . 2lib_ambr001 . 10 GUA C2' . . c17887_2lib 1 42 . . 1 1 10 10 DG O4' O . . 1 1 10 10 DG C1' C . . 1 1 10 10 DG C2' C . . 1 1 10 10 DG C3' C . 22.6 52.6 . . . A . 10 DG O4' . . A . 10 DG C1' . . A . 10 DG C2' . . A . 10 DG C3' . 2lib_ambr001 . 10 GUA O4' . . . 2lib_ambr001 . 10 GUA C1' . . . 2lib_ambr001 . 10 GUA C2' . . . 2lib_ambr001 . 10 GUA C3' . . c17887_2lib 1 43 . . 1 1 10 10 DG C1' C . . 1 1 10 10 DG C2' C . . 1 1 10 10 DG C3' C . . 1 1 10 10 DG C4' C . -44.4 -14.4 . . . A . 10 DG C1' . . A . 10 DG C2' . . A . 10 DG C3' . . A . 10 DG C4' . 2lib_ambr001 . 10 GUA C1' . . . 2lib_ambr001 . 10 GUA C2' . . . 2lib_ambr001 . 10 GUA C3' . . . 2lib_ambr001 . 10 GUA C4' . . c17887_2lib 1 44 . . 1 1 10 10 DG C2' C . . 1 1 10 10 DG C3' C . . 1 1 10 10 DG C4' C . . 1 1 10 10 DG O4' O . -4.2 25.8 . . . A . 10 DG C2' . . A . 10 DG C3' . . A . 10 DG C4' . . A . 10 DG O4' . 2lib_ambr001 . 10 GUA C2' . . . 2lib_ambr001 . 10 GUA C3' . . . 2lib_ambr001 . 10 GUA C4' . . . 2lib_ambr001 . 10 GUA O4' . . c17887_2lib 1 45 . . 1 1 10 10 DG C3' C . . 1 1 10 10 DG C4' C . . 1 1 10 10 DG O4' O . . 1 1 10 10 DG C1' C . -3.0 27.0 . . . A . 10 DG C3' . . A . 10 DG C4' . . A . 10 DG O4' . . A . 10 DG C1' . 2lib_ambr001 . 10 GUA C3' . . . 2lib_ambr001 . 10 GUA C4' . . . 2lib_ambr001 . 10 GUA O4' . . . 2lib_ambr001 . 10 GUA C1' . . c17887_2lib 1 46 . . 2 2 1 1 DC C4' C . . 2 2 1 1 DC O4' O . . 2 2 1 1 DC C1' C . . 2 2 1 1 DC C2' C . -41.1 -11.1 . . . B . 11 DC C4' . . B . 11 DC O4' . . B . 11 DC C1' . . B . 11 DC C2' . 2lib_ambr002 . 1 CYT C4' . . . 2lib_ambr002 . 1 CYT O4' . . . 2lib_ambr002 . 1 CYT C1' . . . 2lib_ambr002 . 1 CYT C2' . . c17887_2lib 1 47 . . 2 2 1 1 DC O4' O . . 2 2 1 1 DC C1' C . . 2 2 1 1 DC C2' C . . 2 2 1 1 DC C3' C . 20.8 50.8 . . . B . 11 DC O4' . . B . 11 DC C1' . . B . 11 DC C2' . . B . 11 DC C3' . 2lib_ambr002 . 1 CYT O4' . . . 2lib_ambr002 . 1 CYT C1' . . . 2lib_ambr002 . 1 CYT C2' . . . 2lib_ambr002 . 1 CYT C3' . . c17887_2lib 1 48 . . 2 2 1 1 DC C1' C . . 2 2 1 1 DC C2' C . . 2 2 1 1 DC C3' C . . 2 2 1 1 DC C4' C . -44.7 -14.7 . . . B . 11 DC C1' . . B . 11 DC C2' . . B . 11 DC C3' . . B . 11 DC C4' . 2lib_ambr002 . 1 CYT C1' . . . 2lib_ambr002 . 1 CYT C2' . . . 2lib_ambr002 . 1 CYT C3' . . . 2lib_ambr002 . 1 CYT C4' . . c17887_2lib 1 49 . . 2 2 1 1 DC C2' C . . 2 2 1 1 DC C3' C . . 2 2 1 1 DC C4' C . . 2 2 1 1 DC O4' O . -2.0 29.1 . . . B . 11 DC C2' . . B . 11 DC C3' . . B . 11 DC C4' . . B . 11 DC O4' . 2lib_ambr002 . 1 CYT C2' . . . 2lib_ambr002 . 1 CYT C3' . . . 2lib_ambr002 . 1 CYT C4' . . . 2lib_ambr002 . 1 CYT O4' . . c17887_2lib 1 50 . . 2 2 1 1 DC C3' C . . 2 2 1 1 DC C4' C . . 2 2 1 1 DC O4' O . . 2 2 1 1 DC C1' C . -8.6 24.2 . . . B . 11 DC C3' . . B . 11 DC C4' . . B . 11 DC O4' . . B . 11 DC C1' . 2lib_ambr002 . 1 CYT C3' . . . 2lib_ambr002 . 1 CYT C4' . . . 2lib_ambr002 . 1 CYT O4' . . . 2lib_ambr002 . 1 CYT C1' . . c17887_2lib 1 51 . . 2 2 2 2 DG C4' C . . 2 2 2 2 DG O4' O . . 2 2 2 2 DG C1' C . . 2 2 2 2 DG C2' C . -39.1 -9.1 . . . B . 12 DG C4' . . B . 12 DG O4' . . B . 12 DG C1' . . B . 12 DG C2' . 2lib_ambr002 . 2 GUA C4' . . . 2lib_ambr002 . 2 GUA O4' . . . 2lib_ambr002 . 2 GUA C1' . . . 2lib_ambr002 . 2 GUA C2' . . c17887_2lib 1 52 . . 2 2 2 2 DG O4' O . . 2 2 2 2 DG C1' C . . 2 2 2 2 DG C2' C . . 2 2 2 2 DG C3' C . 19.8 49.8 . . . B . 12 DG O4' . . B . 12 DG C1' . . B . 12 DG C2' . . B . 12 DG C3' . 2lib_ambr002 . 2 GUA O4' . . . 2lib_ambr002 . 2 GUA C1' . . . 2lib_ambr002 . 2 GUA C2' . . . 2lib_ambr002 . 2 GUA C3' . . c17887_2lib 1 53 . . 2 2 2 2 DG C1' C . . 2 2 2 2 DG C2' C . . 2 2 2 2 DG C3' C . . 2 2 2 2 DG C4' C . -45.8 -15.8 . . . B . 12 DG C1' . . B . 12 DG C2' . . B . 12 DG C3' . . B . 12 DG C4' . 2lib_ambr002 . 2 GUA C1' . . . 2lib_ambr002 . 2 GUA C2' . . . 2lib_ambr002 . 2 GUA C3' . . . 2lib_ambr002 . 2 GUA C4' . . c17887_2lib 1 54 . . 2 2 2 2 DG C2' C . . 2 2 2 2 DG C3' C . . 2 2 2 2 DG C4' C . . 2 2 2 2 DG O4' O . 0.7 31.1 . . . B . 12 DG C2' . . B . 12 DG C3' . . B . 12 DG C4' . . B . 12 DG O4' . 2lib_ambr002 . 2 GUA C2' . . . 2lib_ambr002 . 2 GUA C3' . . . 2lib_ambr002 . 2 GUA C4' . . . 2lib_ambr002 . 2 GUA O4' . . c17887_2lib 1 55 . . 2 2 2 2 DG C3' C . . 2 2 2 2 DG C4' C . . 2 2 2 2 DG O4' O . . 2 2 2 2 DG C1' C . -11.8 22.1 . . . B . 12 DG C3' . . B . 12 DG C4' . . B . 12 DG O4' . . B . 12 DG C1' . 2lib_ambr002 . 2 GUA C3' . . . 2lib_ambr002 . 2 GUA C4' . . . 2lib_ambr002 . 2 GUA O4' . . . 2lib_ambr002 . 2 GUA C1' . . c17887_2lib 1 56 . . 2 2 3 3 DT C4' C . . 2 2 3 3 DT O4' O . . 2 2 3 3 DT C1' C . . 2 2 3 3 DT C2' C . -27.2 12.5 . . . B . 13 DT C4' . . B . 13 DT O4' . . B . 13 DT C1' . . B . 13 DT C2' . 2lib_ambr002 . 3 THY C4' . . . 2lib_ambr002 . 3 THY O4' . . . 2lib_ambr002 . 3 THY C1' . . . 2lib_ambr002 . 3 THY C2' . . c17887_2lib 1 57 . . 2 2 3 3 DT O4' O . . 2 2 3 3 DT C1' C . . 2 2 3 3 DT C2' C . . 2 2 3 3 DT C3' C . 9.7 39.7 . . . B . 13 DT O4' . . B . 13 DT C1' . . B . 13 DT C2' . . B . 13 DT C3' . 2lib_ambr002 . 3 THY O4' . . . 2lib_ambr002 . 3 THY C1' . . . 2lib_ambr002 . 3 THY C2' . . . 2lib_ambr002 . 3 THY C3' . . c17887_2lib 1 58 . . 2 2 3 3 DT C1' C . . 2 2 3 3 DT C2' C . . 2 2 3 3 DT C3' C . . 2 2 3 3 DT C4' C . -49.6 -19.6 . . . B . 13 DT C1' . . B . 13 DT C2' . . B . 13 DT C3' . . B . 13 DT C4' . 2lib_ambr002 . 3 THY C1' . . . 2lib_ambr002 . 3 THY C2' . . . 2lib_ambr002 . 3 THY C3' . . . 2lib_ambr002 . 3 THY C4' . . c17887_2lib 1 59 . . 2 2 3 3 DT C2' C . . 2 2 3 3 DT C3' C . . 2 2 3 3 DT C4' C . . 2 2 3 3 DT O4' O . 13.0 43.0 . . . B . 13 DT C2' . . B . 13 DT C3' . . B . 13 DT C4' . . B . 13 DT O4' . 2lib_ambr002 . 3 THY C2' . . . 2lib_ambr002 . 3 THY C3' . . . 2lib_ambr002 . 3 THY C4' . . . 2lib_ambr002 . 3 THY O4' . . c17887_2lib 1 60 . . 2 2 3 3 DT C3' C . . 2 2 3 3 DT C4' C . . 2 2 3 3 DT O4' O . . 2 2 3 3 DT C1' C . -31.5 6.0 . . . B . 13 DT C3' . . B . 13 DT C4' . . B . 13 DT O4' . . B . 13 DT C1' . 2lib_ambr002 . 3 THY C3' . . . 2lib_ambr002 . 3 THY C4' . . . 2lib_ambr002 . 3 THY O4' . . . 2lib_ambr002 . 3 THY C1' . . c17887_2lib 1 61 . . 2 2 4 4 DC C4' C . . 2 2 4 4 DC O4' O . . 2 2 4 4 DC C1' C . . 2 2 4 4 DC C2' C . -36.5 -6.5 . . . B . 14 DC C4' . . B . 14 DC O4' . . B . 14 DC C1' . . B . 14 DC C2' . 2lib_ambr002 . 4 CYT C4' . . . 2lib_ambr002 . 4 CYT O4' . . . 2lib_ambr002 . 4 CYT C1' . . . 2lib_ambr002 . 4 CYT C2' . . c17887_2lib 1 62 . . 2 2 4 4 DC O4' O . . 2 2 4 4 DC C1' C . . 2 2 4 4 DC C2' C . . 2 2 4 4 DC C3' C . 18.1 48.1 . . . B . 14 DC O4' . . B . 14 DC C1' . . B . 14 DC C2' . . B . 14 DC C3' . 2lib_ambr002 . 4 CYT O4' . . . 2lib_ambr002 . 4 CYT C1' . . . 2lib_ambr002 . 4 CYT C2' . . . 2lib_ambr002 . 4 CYT C3' . . c17887_2lib 1 63 . . 2 2 4 4 DC C1' C . . 2 2 4 4 DC C2' C . . 2 2 4 4 DC C3' C . . 2 2 4 4 DC C4' C . -45.8 -15.8 . . . B . 14 DC C1' . . B . 14 DC C2' . . B . 14 DC C3' . . B . 14 DC C4' . 2lib_ambr002 . 4 CYT C1' . . . 2lib_ambr002 . 4 CYT C2' . . . 2lib_ambr002 . 4 CYT C3' . . . 2lib_ambr002 . 4 CYT C4' . . c17887_2lib 1 64 . . 2 2 4 4 DC C2' C . . 2 2 4 4 DC C3' C . . 2 2 4 4 DC C4' C . . 2 2 4 4 DC O4' O . 0.7 34.0 . . . B . 14 DC C2' . . B . 14 DC C3' . . B . 14 DC C4' . . B . 14 DC O4' . 2lib_ambr002 . 4 CYT C2' . . . 2lib_ambr002 . 4 CYT C3' . . . 2lib_ambr002 . 4 CYT C4' . . . 2lib_ambr002 . 4 CYT O4' . . c17887_2lib 1 65 . . 2 2 4 4 DC C3' C . . 2 2 4 4 DC C4' C . . 2 2 4 4 DC O4' O . . 2 2 4 4 DC C1' C . -16.8 22.1 . . . B . 14 DC C3' . . B . 14 DC C4' . . B . 14 DC O4' . . B . 14 DC C1' . 2lib_ambr002 . 4 CYT C3' . . . 2lib_ambr002 . 4 CYT C4' . . . 2lib_ambr002 . 4 CYT O4' . . . 2lib_ambr002 . 4 CYT C1' . . c17887_2lib 1 66 . . 2 2 5 5 DC C4' C . . 2 2 5 5 DC O4' O . . 2 2 5 5 DC C1' C . . 2 2 5 5 DC C2' C . -44.7 -14.7 . . . B . 15 DC C4' . . B . 15 DC O4' . . B . 15 DC C1' . . B . 15 DC C2' . 2lib_ambr002 . 5 CYT C4' . . . 2lib_ambr002 . 5 CYT O4' . . . 2lib_ambr002 . 5 CYT C1' . . . 2lib_ambr002 . 5 CYT C2' . . c17887_2lib 1 67 . . 2 2 5 5 DC O4' O . . 2 2 5 5 DC C1' C . . 2 2 5 5 DC C2' C . . 2 2 5 5 DC C3' C . 20.2 50.2 . . . B . 15 DC O4' . . B . 15 DC C1' . . B . 15 DC C2' . . B . 15 DC C3' . 2lib_ambr002 . 5 CYT O4' . . . 2lib_ambr002 . 5 CYT C1' . . . 2lib_ambr002 . 5 CYT C2' . . . 2lib_ambr002 . 5 CYT C3' . . c17887_2lib 1 68 . . 2 2 5 5 DC C1' C . . 2 2 5 5 DC C2' C . . 2 2 5 5 DC C3' C . . 2 2 5 5 DC C4' C . -40.2 -10.2 . . . B . 15 DC C1' . . B . 15 DC C2' . . B . 15 DC C3' . . B . 15 DC C4' . 2lib_ambr002 . 5 CYT C1' . . . 2lib_ambr002 . 5 CYT C2' . . . 2lib_ambr002 . 5 CYT C3' . . . 2lib_ambr002 . 5 CYT C4' . . c17887_2lib 1 69 . . 2 2 5 5 DC C2' C . . 2 2 5 5 DC C3' C . . 2 2 5 5 DC C4' C . . 2 2 5 5 DC O4' O . -10.6 24.2 . . . B . 15 DC C2' . . B . 15 DC C3' . . B . 15 DC C4' . . B . 15 DC O4' . 2lib_ambr002 . 5 CYT C2' . . . 2lib_ambr002 . 5 CYT C3' . . . 2lib_ambr002 . 5 CYT C4' . . . 2lib_ambr002 . 5 CYT O4' . . c17887_2lib 1 70 . . 2 2 5 5 DC C3' C . . 2 2 5 5 DC C4' C . . 2 2 5 5 DC O4' O . . 2 2 5 5 DC C1' C . -1.9 30.3 . . . B . 15 DC C3' . . B . 15 DC C4' . . B . 15 DC O4' . . B . 15 DC C1' . 2lib_ambr002 . 5 CYT C3' . . . 2lib_ambr002 . 5 CYT C4' . . . 2lib_ambr002 . 5 CYT O4' . . . 2lib_ambr002 . 5 CYT C1' . . c17887_2lib 1 71 . . 2 2 6 6 DT C4' C . . 2 2 6 6 DT O4' O . . 2 2 6 6 DT C1' C . . 2 2 6 6 DT C2' C . -40.2 -10.2 . . . B . 16 DT C4' . . B . 16 DT O4' . . B . 16 DT C1' . . B . 16 DT C2' . 2lib_ambr002 . 6 THY C4' . . . 2lib_ambr002 . 6 THY O4' . . . 2lib_ambr002 . 6 THY C1' . . . 2lib_ambr002 . 6 THY C2' . . c17887_2lib 1 72 . . 2 2 6 6 DT O4' O . . 2 2 6 6 DT C1' C . . 2 2 6 6 DT C2' C . . 2 2 6 6 DT C3' C . 19.2 49.2 . . . B . 16 DT O4' . . B . 16 DT C1' . . B . 16 DT C2' . . B . 16 DT C3' . 2lib_ambr002 . 6 THY O4' . . . 2lib_ambr002 . 6 THY C1' . . . 2lib_ambr002 . 6 THY C2' . . . 2lib_ambr002 . 6 THY C3' . . c17887_2lib 1 73 . . 2 2 6 6 DT C1' C . . 2 2 6 6 DT C2' C . . 2 2 6 6 DT C3' C . . 2 2 6 6 DT C4' C . -39.2 -9.2 . . . B . 16 DT C1' . . B . 16 DT C2' . . B . 16 DT C3' . . B . 16 DT C4' . 2lib_ambr002 . 6 THY C1' . . . 2lib_ambr002 . 6 THY C2' . . . 2lib_ambr002 . 6 THY C3' . . . 2lib_ambr002 . 6 THY C4' . . c17887_2lib 1 74 . . 2 2 6 6 DT C2' C . . 2 2 6 6 DT C3' C . . 2 2 6 6 DT C4' C . . 2 2 6 6 DT O4' O . -13.8 31.1 . . . B . 16 DT C2' . . B . 16 DT C3' . . B . 16 DT C4' . . B . 16 DT O4' . 2lib_ambr002 . 6 THY C2' . . . 2lib_ambr002 . 6 THY C3' . . . 2lib_ambr002 . 6 THY C4' . . . 2lib_ambr002 . 6 THY O4' . . c17887_2lib 1 75 . . 2 2 6 6 DT C3' C . . 2 2 6 6 DT C4' C . . 2 2 6 6 DT O4' O . . 2 2 6 6 DT C1' C . -11.8 32.3 . . . B . 16 DT C3' . . B . 16 DT C4' . . B . 16 DT O4' . . B . 16 DT C1' . 2lib_ambr002 . 6 THY C3' . . . 2lib_ambr002 . 6 THY C4' . . . 2lib_ambr002 . 6 THY O4' . . . 2lib_ambr002 . 6 THY C1' . . c17887_2lib 1 76 . . 2 2 7 7 DG C4' C . . 2 2 7 7 DG O4' O . . 2 2 7 7 DG C1' C . . 2 2 7 7 DG C2' C . -35.5 -5.5 . . . B . 17 DG C4' . . B . 17 DG O4' . . B . 17 DG C1' . . B . 17 DG C2' . 2lib_ambr002 . 7 GUA C4' . . . 2lib_ambr002 . 7 GUA O4' . . . 2lib_ambr002 . 7 GUA C1' . . . 2lib_ambr002 . 7 GUA C2' . . c17887_2lib 1 77 . . 2 2 7 7 DG O4' O . . 2 2 7 7 DG C1' C . . 2 2 7 7 DG C2' C . . 2 2 7 7 DG C3' C . 19.8 49.8 . . . B . 17 DG O4' . . B . 17 DG C1' . . B . 17 DG C2' . . B . 17 DG C3' . 2lib_ambr002 . 7 GUA O4' . . . 2lib_ambr002 . 7 GUA C1' . . . 2lib_ambr002 . 7 GUA C2' . . . 2lib_ambr002 . 7 GUA C3' . . c17887_2lib 1 78 . . 2 2 7 7 DG C1' C . . 2 2 7 7 DG C2' C . . 2 2 7 7 DG C3' C . . 2 2 7 7 DG C4' C . -50.8 -20.8 . . . B . 17 DG C1' . . B . 17 DG C2' . . B . 17 DG C3' . . B . 17 DG C4' . 2lib_ambr002 . 7 GUA C1' . . . 2lib_ambr002 . 7 GUA C2' . . . 2lib_ambr002 . 7 GUA C3' . . . 2lib_ambr002 . 7 GUA C4' . . c17887_2lib 1 79 . . 2 2 7 7 DG C2' C . . 2 2 7 7 DG C3' C . . 2 2 7 7 DG C4' C . . 2 2 7 7 DG O4' O . 8.1 38.1 . . . B . 17 DG C2' . . B . 17 DG C3' . . B . 17 DG C4' . . B . 17 DG O4' . 2lib_ambr002 . 7 GUA C2' . . . 2lib_ambr002 . 7 GUA C3' . . . 2lib_ambr002 . 7 GUA C4' . . . 2lib_ambr002 . 7 GUA O4' . . c17887_2lib 1 80 . . 2 2 7 7 DG C3' C . . 2 2 7 7 DG C4' C . . 2 2 7 7 DG O4' O . . 2 2 7 7 DG C1' C . -16.6 13.4 . . . B . 17 DG C3' . . B . 17 DG C4' . . B . 17 DG O4' . . B . 17 DG C1' . 2lib_ambr002 . 7 GUA C3' . . . 2lib_ambr002 . 7 GUA C4' . . . 2lib_ambr002 . 7 GUA O4' . . . 2lib_ambr002 . 7 GUA C1' . . c17887_2lib 1 81 . . 2 2 8 8 DG C4' C . . 2 2 8 8 DG O4' O . . 2 2 8 8 DG C1' C . . 2 2 8 8 DG C2' C . -42.0 -12.0 . . . B . 18 DG C4' . . B . 18 DG O4' . . B . 18 DG C1' . . B . 18 DG C2' . 2lib_ambr002 . 8 GUA C4' . . . 2lib_ambr002 . 8 GUA O4' . . . 2lib_ambr002 . 8 GUA C1' . . . 2lib_ambr002 . 8 GUA C2' . . c17887_2lib 1 82 . . 2 2 8 8 DG O4' O . . 2 2 8 8 DG C1' C . . 2 2 8 8 DG C2' C . . 2 2 8 8 DG C3' C . 21.3 51.3 . . . B . 18 DG O4' . . B . 18 DG C1' . . B . 18 DG C2' . . B . 18 DG C3' . 2lib_ambr002 . 8 GUA O4' . . . 2lib_ambr002 . 8 GUA C1' . . . 2lib_ambr002 . 8 GUA C2' . . . 2lib_ambr002 . 8 GUA C3' . . c17887_2lib 1 83 . . 2 2 8 8 DG C1' C . . 2 2 8 8 DG C2' C . . 2 2 8 8 DG C3' C . . 2 2 8 8 DG C4' C . -44.5 -14.5 . . . B . 18 DG C1' . . B . 18 DG C2' . . B . 18 DG C3' . . B . 18 DG C4' . 2lib_ambr002 . 8 GUA C1' . . . 2lib_ambr002 . 8 GUA C2' . . . 2lib_ambr002 . 8 GUA C3' . . . 2lib_ambr002 . 8 GUA C4' . . c17887_2lib 1 84 . . 2 2 8 8 DG C2' C . . 2 2 8 8 DG C3' C . . 2 2 8 8 DG C4' C . . 2 2 8 8 DG O4' O . -2.2 27.8 . . . B . 18 DG C2' . . B . 18 DG C3' . . B . 18 DG C4' . . B . 18 DG O4' . 2lib_ambr002 . 8 GUA C2' . . . 2lib_ambr002 . 8 GUA C3' . . . 2lib_ambr002 . 8 GUA C4' . . . 2lib_ambr002 . 8 GUA O4' . . c17887_2lib 1 85 . . 2 2 8 8 DG C3' C . . 2 2 8 8 DG C4' C . . 2 2 8 8 DG O4' O . . 2 2 8 8 DG C1' C . -6.6 24.2 . . . B . 18 DG C3' . . B . 18 DG C4' . . B . 18 DG O4' . . B . 18 DG C1' . 2lib_ambr002 . 8 GUA C3' . . . 2lib_ambr002 . 8 GUA C4' . . . 2lib_ambr002 . 8 GUA O4' . . . 2lib_ambr002 . 8 GUA C1' . . c17887_2lib 1 86 . . 2 2 9 9 DA C4' C . . 2 2 9 9 DA O4' O . . 2 2 9 9 DA C1' C . . 2 2 9 9 DA C2' C . -40.2 -10.2 . . . B . 19 DA C4' . . B . 19 DA O4' . . B . 19 DA C1' . . B . 19 DA C2' . 2lib_ambr002 . 9 ADE C4' . . . 2lib_ambr002 . 9 ADE O4' . . . 2lib_ambr002 . 9 ADE C1' . . . 2lib_ambr002 . 9 ADE C2' . . c17887_2lib 1 87 . . 2 2 9 9 DA O4' O . . 2 2 9 9 DA C1' C . . 2 2 9 9 DA C2' C . . 2 2 9 9 DA C3' C . 19.8 49.8 . . . B . 19 DA O4' . . B . 19 DA C1' . . B . 19 DA C2' . . B . 19 DA C3' . 2lib_ambr002 . 9 ADE O4' . . . 2lib_ambr002 . 9 ADE C1' . . . 2lib_ambr002 . 9 ADE C2' . . . 2lib_ambr002 . 9 ADE C3' . . c17887_2lib 1 88 . . 2 2 9 9 DA C1' C . . 2 2 9 9 DA C2' C . . 2 2 9 9 DA C3' C . . 2 2 9 9 DA C4' C . -40.8 -10.8 . . . B . 19 DA C1' . . B . 19 DA C2' . . B . 19 DA C3' . . B . 19 DA C4' . 2lib_ambr002 . 9 ADE C1' . . . 2lib_ambr002 . 9 ADE C2' . . . 2lib_ambr002 . 9 ADE C3' . . . 2lib_ambr002 . 9 ADE C4' . . c17887_2lib 1 89 . . 2 2 9 9 DA C2' C . . 2 2 9 9 DA C3' C . . 2 2 9 9 DA C4' C . . 2 2 9 9 DA O4' O . -10.6 31.1 . . . B . 19 DA C2' . . B . 19 DA C3' . . B . 19 DA C4' . . B . 19 DA O4' . 2lib_ambr002 . 9 ADE C2' . . . 2lib_ambr002 . 9 ADE C3' . . . 2lib_ambr002 . 9 ADE C4' . . . 2lib_ambr002 . 9 ADE O4' . . c17887_2lib 1 90 . . 2 2 9 9 DA C3' C . . 2 2 9 9 DA C4' C . . 2 2 9 9 DA O4' O . . 2 2 9 9 DA C1' C . -11.8 30.3 . . . B . 19 DA C3' . . B . 19 DA C4' . . B . 19 DA O4' . . B . 19 DA C1' . 2lib_ambr002 . 9 ADE C3' . . . 2lib_ambr002 . 9 ADE C4' . . . 2lib_ambr002 . 9 ADE O4' . . . 2lib_ambr002 . 9 ADE C1' . . c17887_2lib 1 91 . . 2 2 10 10 DC C4' C . . 2 2 10 10 DC O4' O . . 2 2 10 10 DC C1' C . . 2 2 10 10 DC C2' C . -47.9 -17.9 . . . B . 20 DC C4' . . B . 20 DC O4' . . B . 20 DC C1' . . B . 20 DC C2' . 2lib_ambr002 . 10 CYT C4' . . . 2lib_ambr002 . 10 CYT O4' . . . 2lib_ambr002 . 10 CYT C1' . . . 2lib_ambr002 . 10 CYT C2' . . c17887_2lib 1 92 . . 2 2 10 10 DC O4' O . . 2 2 10 10 DC C1' C . . 2 2 10 10 DC C2' C . . 2 2 10 10 DC C3' C . 15.8 45.8 . . . B . 20 DC O4' . . B . 20 DC C1' . . B . 20 DC C2' . . B . 20 DC C3' . 2lib_ambr002 . 10 CYT O4' . . . 2lib_ambr002 . 10 CYT C1' . . . 2lib_ambr002 . 10 CYT C2' . . . 2lib_ambr002 . 10 CYT C3' . . c17887_2lib 1 93 . . 2 2 10 10 DC C1' C . . 2 2 10 10 DC C2' C . . 2 2 10 10 DC C3' C . . 2 2 10 10 DC C4' C . -34.3 -0.7 . . . B . 20 DC C1' . . B . 20 DC C2' . . B . 20 DC C3' . . B . 20 DC C4' . 2lib_ambr002 . 10 CYT C1' . . . 2lib_ambr002 . 10 CYT C2' . . . 2lib_ambr002 . 10 CYT C3' . . . 2lib_ambr002 . 10 CYT C4' . . c17887_2lib 1 94 . . 2 2 10 10 DC C2' C . . 2 2 10 10 DC C3' C . . 2 2 10 10 DC C4' C . . 2 2 10 10 DC O4' O . -22.1 17.5 . . . B . 20 DC C2' . . B . 20 DC C3' . . B . 20 DC C4' . . B . 20 DC O4' . 2lib_ambr002 . 10 CYT C2' . . . 2lib_ambr002 . 10 CYT C3' . . . 2lib_ambr002 . 10 CYT C4' . . . 2lib_ambr002 . 10 CYT O4' . . c17887_2lib 1 95 . . 2 2 10 10 DC C3' C . . 2 2 10 10 DC C4' C . . 2 2 10 10 DC O4' O . . 2 2 10 10 DC C1' C . 6.1 36.4 . . . B . 20 DC C3' . . B . 20 DC C4' . . B . 20 DC O4' . . B . 20 DC C1' . 2lib_ambr002 . 10 CYT C3' . . . 2lib_ambr002 . 10 CYT C4' . . . 2lib_ambr002 . 10 CYT O4' . . . 2lib_ambr002 . 10 CYT C1' . . c17887_2lib 1 96 . . 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 DT P P . 174.0 214.0 . . . A . 1 DG C4' . . A . 1 DG C3' . . A . 1 DG O3' . . A . 2 DT P . 2lib_ambr001 . 1 GUA C4' . . . 2lib_ambr001 . 1 GUA C3' . . . 2lib_ambr001 . 1 GUA O3' . . . 2lib_ambr001 . 2 THY P . . c17887_2lib 1 97 . . 1 1 2 2 DT C4' C . . 1 1 2 2 DT C3' C . . 1 1 2 2 DT O3' O . . 1 1 3 3 DC P P . 178.0 198.0 . . . A . 2 DT C4' . . A . 2 DT C3' . . A . 2 DT O3' . . A . 3 DC P . 2lib_ambr001 . 2 THY C4' . . . 2lib_ambr001 . 2 THY C3' . . . 2lib_ambr001 . 2 THY O3' . . . 2lib_ambr001 . 3 CYT P . . c17887_2lib 1 98 . . 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 DC P P . 172.0 212.0 . . . A . 3 DC C4' . . A . 3 DC C3' . . A . 3 DC O3' . . A . 4 DC P . 2lib_ambr001 . 3 CYT C4' . . . 2lib_ambr001 . 3 CYT C3' . . . 2lib_ambr001 . 3 CYT O3' . . . 2lib_ambr001 . 4 CYT P . . c17887_2lib 1 99 . . 1 1 4 4 DC C4' C . . 1 1 4 4 DC C3' C . . 1 1 4 4 DC O3' O . . 1 1 5 5 A3A P P . 169.0 194.0 . . . A . 4 DC C4' . . A . 4 DC C3' . . A . 4 DC O3' . . A . 5 A3A P . 2lib_ambr001 . 4 CYT C4' . . . 2lib_ambr001 . 4 CYT C3' . . . 2lib_ambr001 . 4 CYT O3' . . . 2lib_ambr001 . 5 ADE P . . c17887_2lib 1 100 . . 1 1 5 5 A3A C4' C . . 1 1 5 5 A3A C3' C . . 1 1 5 5 A3A O3' O . . 1 1 6 6 DG P P . 194.0 218.0 . . . A . 5 A3A C4' . . A . 5 A3A C3' . . A . 5 A3A O3' . . A . 6 DG P . 2lib_ambr001 . 5 ADE C4' . . . 2lib_ambr001 . 5 ADE C3' . . . 2lib_ambr001 . 5 ADE O3' . . . 2lib_ambr001 . 6 GUA P . . c17887_2lib 1 101 . . 1 1 6 6 DG C4' C . . 1 1 6 6 DG C3' C . . 1 1 6 6 DG O3' O . . 1 1 7 7 DG P P . 177.0 197.0 . . . A . 6 DG C4' . . A . 6 DG C3' . . A . 6 DG O3' . . A . 7 DG P . 2lib_ambr001 . 6 GUA C4' . . . 2lib_ambr001 . 6 GUA C3' . . . 2lib_ambr001 . 6 GUA O3' . . . 2lib_ambr001 . 7 GUA P . . c17887_2lib 1 102 . . 1 1 7 7 DG C4' C . . 1 1 7 7 DG C3' C . . 1 1 7 7 DG O3' O . . 1 1 8 8 DA P P . 181.0 201.0 . . . A . 7 DG C4' . . A . 7 DG C3' . . A . 7 DG O3' . . A . 8 DA P . 2lib_ambr001 . 7 GUA C4' . . . 2lib_ambr001 . 7 GUA C3' . . . 2lib_ambr001 . 7 GUA O3' . . . 2lib_ambr001 . 8 ADE P . . c17887_2lib 1 103 . . 1 1 8 8 DA C4' C . . 1 1 8 8 DA C3' C . . 1 1 8 8 DA O3' O . . 1 1 9 9 DC P P . 179.0 199.0 . . . A . 8 DA C4' . . A . 8 DA C3' . . A . 8 DA O3' . . A . 9 DC P . 2lib_ambr001 . 8 ADE C4' . . . 2lib_ambr001 . 8 ADE C3' . . . 2lib_ambr001 . 8 ADE O3' . . . 2lib_ambr001 . 9 CYT P . . c17887_2lib 1 104 . . 1 1 9 9 DC C4' C . . 1 1 9 9 DC C3' C . . 1 1 9 9 DC O3' O . . 1 1 10 10 DG P P . 182.0 206.0 . . . A . 9 DC C4' . . A . 9 DC C3' . . A . 9 DC O3' . . A . 10 DG P . 2lib_ambr001 . 9 CYT C4' . . . 2lib_ambr001 . 9 CYT C3' . . . 2lib_ambr001 . 9 CYT O3' . . . 2lib_ambr001 . 10 GUA P . . c17887_2lib 1 105 . . 2 2 1 1 DC C4' C . . 2 2 1 1 DC C3' C . . 2 2 1 1 DC O3' O . . 2 2 2 2 DG P P . 183.0 213.0 . . . B . 11 DC C4' . . B . 11 DC C3' . . B . 11 DC O3' . . B . 12 DG P . 2lib_ambr002 . 1 CYT C4' . . . 2lib_ambr002 . 1 CYT C3' . . . 2lib_ambr002 . 1 CYT O3' . . . 2lib_ambr002 . 2 GUA P . . c17887_2lib 1 106 . . 2 2 2 2 DG C4' C . . 2 2 2 2 DG C3' C . . 2 2 2 2 DG O3' O . . 2 2 3 3 DT P P . 176.0 196.0 . . . B . 12 DG C4' . . B . 12 DG C3' . . B . 12 DG O3' . . B . 13 DT P . 2lib_ambr002 . 2 GUA C4' . . . 2lib_ambr002 . 2 GUA C3' . . . 2lib_ambr002 . 2 GUA O3' . . . 2lib_ambr002 . 3 THY P . . c17887_2lib 1 107 . . 2 2 3 3 DT C4' C . . 2 2 3 3 DT C3' C . . 2 2 3 3 DT O3' O . . 2 2 4 4 DC P P . 174.0 194.0 . . . B . 13 DT C4' . . B . 13 DT C3' . . B . 13 DT O3' . . B . 14 DC P . 2lib_ambr002 . 3 THY C4' . . . 2lib_ambr002 . 3 THY C3' . . . 2lib_ambr002 . 3 THY O3' . . . 2lib_ambr002 . 4 CYT P . . c17887_2lib 1 108 . . 2 2 4 4 DC C4' C . . 2 2 4 4 DC C3' C . . 2 2 4 4 DC O3' O . . 2 2 5 5 DC P P . 184.0 204.0 . . . B . 14 DC C4' . . B . 14 DC C3' . . B . 14 DC O3' . . B . 15 DC P . 2lib_ambr002 . 4 CYT C4' . . . 2lib_ambr002 . 4 CYT C3' . . . 2lib_ambr002 . 4 CYT O3' . . . 2lib_ambr002 . 5 CYT P . . c17887_2lib 1 109 . . 2 2 5 5 DC C4' C . . 2 2 5 5 DC C3' C . . 2 2 5 5 DC O3' O . . 2 2 6 6 DT P P . 157.0 207.0 . . . B . 15 DC C4' . . B . 15 DC C3' . . B . 15 DC O3' . . B . 16 DT P . 2lib_ambr002 . 5 CYT C4' . . . 2lib_ambr002 . 5 CYT C3' . . . 2lib_ambr002 . 5 CYT O3' . . . 2lib_ambr002 . 6 THY P . . c17887_2lib 1 110 . . 2 2 6 6 DT C4' C . . 2 2 6 6 DT C3' C . . 2 2 6 6 DT O3' O . . 2 2 7 7 DG P P . 166.0 216.0 . . . B . 16 DT C4' . . B . 16 DT C3' . . B . 16 DT O3' . . B . 17 DG P . 2lib_ambr002 . 6 THY C4' . . . 2lib_ambr002 . 6 THY C3' . . . 2lib_ambr002 . 6 THY O3' . . . 2lib_ambr002 . 7 GUA P . . c17887_2lib 1 111 . . 2 2 7 7 DG C4' C . . 2 2 7 7 DG C3' C . . 2 2 7 7 DG O3' O . . 2 2 8 8 DG P P . 180.0 200.0 . . . B . 17 DG C4' . . B . 17 DG C3' . . B . 17 DG O3' . . B . 18 DG P . 2lib_ambr002 . 7 GUA C4' . . . 2lib_ambr002 . 7 GUA C3' . . . 2lib_ambr002 . 7 GUA O3' . . . 2lib_ambr002 . 8 GUA P . . c17887_2lib 1 112 . . 2 2 8 8 DG C4' C . . 2 2 8 8 DG C3' C . . 2 2 8 8 DG O3' O . . 2 2 9 9 DA P P . 179.0 203.0 . . . B . 18 DG C4' . . B . 18 DG C3' . . B . 18 DG O3' . . B . 19 DA P . 2lib_ambr002 . 8 GUA C4' . . . 2lib_ambr002 . 8 GUA C3' . . . 2lib_ambr002 . 8 GUA O3' . . . 2lib_ambr002 . 9 ADE P . . c17887_2lib 1 113 . . 2 2 9 9 DA C4' C . . 2 2 9 9 DA C3' C . . 2 2 9 9 DA O3' O . . 2 2 10 10 DC P P . 181.0 201.0 . . . B . 19 DA C4' . . B . 19 DA C3' . . B . 19 DA O3' . . B . 20 DC P . 2lib_ambr002 . 9 ADE C4' . . . 2lib_ambr002 . 9 ADE C3' . . . 2lib_ambr002 . 9 ADE O3' . . . 2lib_ambr002 . 10 CYT P . . c17887_2lib 1 114 . . 1 1 1 1 DG C3' C . . 1 1 1 1 DG O3' O . . 1 1 2 2 DT P P . . 1 1 2 2 DT O5' O . 150.0 315.0 . . . A . 1 DG C3' . . A . 1 DG O3' . . A . 2 DT P . . A . 2 DT O5' . 2lib_ambr001 . 1 GUA C3' . . . 2lib_ambr001 . 1 GUA O3' . . . 2lib_ambr001 . 2 THY P . . . 2lib_ambr001 . 2 THY O5' . . c17887_2lib 1 115 . . 1 1 2 2 DT C3' C . . 1 1 2 2 DT O3' O . . 1 1 3 3 DC P P . . 1 1 3 3 DC O5' O . 150.0 315.0 . . . A . 2 DT C3' . . A . 2 DT O3' . . A . 3 DC P . . A . 3 DC O5' . 2lib_ambr001 . 2 THY C3' . . . 2lib_ambr001 . 2 THY O3' . . . 2lib_ambr001 . 3 CYT P . . . 2lib_ambr001 . 3 CYT O5' . . c17887_2lib 1 116 . . 1 1 3 3 DC C3' C . . 1 1 3 3 DC O3' O . . 1 1 4 4 DC P P . . 1 1 4 4 DC O5' O . 150.0 315.0 . . . A . 3 DC C3' . . A . 3 DC O3' . . A . 4 DC P . . A . 4 DC O5' . 2lib_ambr001 . 3 CYT C3' . . . 2lib_ambr001 . 3 CYT O3' . . . 2lib_ambr001 . 4 CYT P . . . 2lib_ambr001 . 4 CYT O5' . . c17887_2lib 1 117 . . 1 1 6 6 DG C3' C . . 1 1 6 6 DG O3' O . . 1 1 7 7 DG P P . . 1 1 7 7 DG O5' O . 150.0 315.0 . . . A . 6 DG C3' . . A . 6 DG O3' . . A . 7 DG P . . A . 7 DG O5' . 2lib_ambr001 . 6 GUA C3' . . . 2lib_ambr001 . 6 GUA O3' . . . 2lib_ambr001 . 7 GUA P . . . 2lib_ambr001 . 7 GUA O5' . . c17887_2lib 1 118 . . 1 1 7 7 DG C3' C . . 1 1 7 7 DG O3' O . . 1 1 8 8 DA P P . . 1 1 8 8 DA O5' O . 150.0 315.0 . . . A . 7 DG C3' . . A . 7 DG O3' . . A . 8 DA P . . A . 8 DA O5' . 2lib_ambr001 . 7 GUA C3' . . . 2lib_ambr001 . 7 GUA O3' . . . 2lib_ambr001 . 8 ADE P . . . 2lib_ambr001 . 8 ADE O5' . . c17887_2lib 1 119 . . 1 1 8 8 DA C3' C . . 1 1 8 8 DA O3' O . . 1 1 9 9 DC P P . . 1 1 9 9 DC O5' O . 150.0 315.0 . . . A . 8 DA C3' . . A . 8 DA O3' . . A . 9 DC P . . A . 9 DC O5' . 2lib_ambr001 . 8 ADE C3' . . . 2lib_ambr001 . 8 ADE O3' . . . 2lib_ambr001 . 9 CYT P . . . 2lib_ambr001 . 9 CYT O5' . . c17887_2lib 1 120 . . 1 1 9 9 DC C3' C . . 1 1 9 9 DC O3' O . . 1 1 10 10 DG P P . . 1 1 10 10 DG O5' O . 150.0 315.0 . . . A . 9 DC C3' . . A . 9 DC O3' . . A . 10 DG P . . A . 10 DG O5' . 2lib_ambr001 . 9 CYT C3' . . . 2lib_ambr001 . 9 CYT O3' . . . 2lib_ambr001 . 10 GUA P . . . 2lib_ambr001 . 10 GUA O5' . . c17887_2lib 1 121 . . 2 2 1 1 DC C3' C . . 2 2 1 1 DC O3' O . . 2 2 2 2 DG P P . . 2 2 2 2 DG O5' O . 150.0 315.0 . . . B . 11 DC C3' . . B . 11 DC O3' . . B . 12 DG P . . B . 12 DG O5' . 2lib_ambr002 . 1 CYT C3' . . . 2lib_ambr002 . 1 CYT O3' . . . 2lib_ambr002 . 2 GUA P . . . 2lib_ambr002 . 2 GUA O5' . . c17887_2lib 1 122 . . 2 2 2 2 DG C3' C . . 2 2 2 2 DG O3' O . . 2 2 3 3 DT P P . . 2 2 3 3 DT O5' O . 150.0 315.0 . . . B . 12 DG C3' . . B . 12 DG O3' . . B . 13 DT P . . B . 13 DT O5' . 2lib_ambr002 . 2 GUA C3' . . . 2lib_ambr002 . 2 GUA O3' . . . 2lib_ambr002 . 3 THY P . . . 2lib_ambr002 . 3 THY O5' . . c17887_2lib 1 123 . . 2 2 3 3 DT C3' C . . 2 2 3 3 DT O3' O . . 2 2 4 4 DC P P . . 2 2 4 4 DC O5' O . 150.0 315.0 . . . B . 13 DT C3' . . B . 13 DT O3' . . B . 14 DC P . . B . 14 DC O5' . 2lib_ambr002 . 3 THY C3' . . . 2lib_ambr002 . 3 THY O3' . . . 2lib_ambr002 . 4 CYT P . . . 2lib_ambr002 . 4 CYT O5' . . c17887_2lib 1 124 . . 2 2 4 4 DC C3' C . . 2 2 4 4 DC O3' O . . 2 2 5 5 DC P P . . 2 2 5 5 DC O5' O . 150.0 315.0 . . . B . 14 DC C3' . . B . 14 DC O3' . . B . 15 DC P . . B . 15 DC O5' . 2lib_ambr002 . 4 CYT C3' . . . 2lib_ambr002 . 4 CYT O3' . . . 2lib_ambr002 . 5 CYT P . . . 2lib_ambr002 . 5 CYT O5' . . c17887_2lib 1 125 . . 2 2 5 5 DC C3' C . . 2 2 5 5 DC O3' O . . 2 2 6 6 DT P P . . 2 2 6 6 DT O5' O . 150.0 315.0 . . . B . 15 DC C3' . . B . 15 DC O3' . . B . 16 DT P . . B . 16 DT O5' . 2lib_ambr002 . 5 CYT C3' . . . 2lib_ambr002 . 5 CYT O3' . . . 2lib_ambr002 . 6 THY P . . . 2lib_ambr002 . 6 THY O5' . . c17887_2lib 1 126 . . 2 2 6 6 DT C3' C . . 2 2 6 6 DT O3' O . . 2 2 7 7 DG P P . . 2 2 7 7 DG O5' O . 150.0 315.0 . . . B . 16 DT C3' . . B . 16 DT O3' . . B . 17 DG P . . B . 17 DG O5' . 2lib_ambr002 . 6 THY C3' . . . 2lib_ambr002 . 6 THY O3' . . . 2lib_ambr002 . 7 GUA P . . . 2lib_ambr002 . 7 GUA O5' . . c17887_2lib 1 127 . . 2 2 7 7 DG C3' C . . 2 2 7 7 DG O3' O . . 2 2 8 8 DG P P . . 2 2 8 8 DG O5' O . 150.0 315.0 . . . B . 17 DG C3' . . B . 17 DG O3' . . B . 18 DG P . . B . 18 DG O5' . 2lib_ambr002 . 7 GUA C3' . . . 2lib_ambr002 . 7 GUA O3' . . . 2lib_ambr002 . 8 GUA P . . . 2lib_ambr002 . 8 GUA O5' . . c17887_2lib 1 128 . . 2 2 8 8 DG C3' C . . 2 2 8 8 DG O3' O . . 2 2 9 9 DA P P . . 2 2 9 9 DA O5' O . 150.0 315.0 . . . B . 18 DG C3' . . B . 18 DG O3' . . B . 19 DA P . . B . 19 DA O5' . 2lib_ambr002 . 8 GUA C3' . . . 2lib_ambr002 . 8 GUA O3' . . . 2lib_ambr002 . 9 ADE P . . . 2lib_ambr002 . 9 ADE O5' . . c17887_2lib 1 129 . . 2 2 9 9 DA C3' C . . 2 2 9 9 DA O3' O . . 2 2 10 10 DC P P . . 2 2 10 10 DC O5' O . 150.0 315.0 . . . B . 19 DA C3' . . B . 19 DA O3' . . B . 20 DC P . . B . 20 DC O5' . 2lib_ambr002 . 9 ADE C3' . . . 2lib_ambr002 . 9 ADE O3' . . . 2lib_ambr002 . 10 CYT P . . . 2lib_ambr002 . 10 CYT O5' . . c17887_2lib 1 130 . . 1 1 1 1 DG O3' O . . 1 1 2 2 DT P P . . 1 1 2 2 DT O5' O . . 1 1 2 2 DT C5' C . 270.0 330.0 . . . A . 1 DG O3' . . A . 2 DT P . . A . 2 DT O5' . . A . 2 DT C5' . 2lib_ambr001 . 1 GUA O3' . . . 2lib_ambr001 . 2 THY P . . . 2lib_ambr001 . 2 THY O5' . . . 2lib_ambr001 . 2 THY C5' . . c17887_2lib 1 131 . . 1 1 2 2 DT O3' O . . 1 1 3 3 DC P P . . 1 1 3 3 DC O5' O . . 1 1 3 3 DC C5' C . 270.0 330.0 . . . A . 2 DT O3' . . A . 3 DC P . . A . 3 DC O5' . . A . 3 DC C5' . 2lib_ambr001 . 2 THY O3' . . . 2lib_ambr001 . 3 CYT P . . . 2lib_ambr001 . 3 CYT O5' . . . 2lib_ambr001 . 3 CYT C5' . . c17887_2lib 1 132 . . 1 1 5 5 A3A O3' O . . 1 1 6 6 DG P P . . 1 1 6 6 DG O5' O . . 1 1 6 6 DG C5' C . 270.0 330.0 . . . A . 5 A3A O3' . . A . 6 DG P . . A . 6 DG O5' . . A . 6 DG C5' . 2lib_ambr001 . 5 ADE O3' . . . 2lib_ambr001 . 6 GUA P . . . 2lib_ambr001 . 6 GUA O5' . . . 2lib_ambr001 . 6 GUA C5' . . c17887_2lib 1 133 . . 1 1 6 6 DG O3' O . . 1 1 7 7 DG P P . . 1 1 7 7 DG O5' O . . 1 1 7 7 DG C5' C . 270.0 330.0 . . . A . 6 DG O3' . . A . 7 DG P . . A . 7 DG O5' . . A . 7 DG C5' . 2lib_ambr001 . 6 GUA O3' . . . 2lib_ambr001 . 7 GUA P . . . 2lib_ambr001 . 7 GUA O5' . . . 2lib_ambr001 . 7 GUA C5' . . c17887_2lib 1 134 . . 1 1 7 7 DG O3' O . . 1 1 8 8 DA P P . . 1 1 8 8 DA O5' O . . 1 1 8 8 DA C5' C . 270.0 330.0 . . . A . 7 DG O3' . . A . 8 DA P . . A . 8 DA O5' . . A . 8 DA C5' . 2lib_ambr001 . 7 GUA O3' . . . 2lib_ambr001 . 8 ADE P . . . 2lib_ambr001 . 8 ADE O5' . . . 2lib_ambr001 . 8 ADE C5' . . c17887_2lib 1 135 . . 1 1 8 8 DA O3' O . . 1 1 9 9 DC P P . . 1 1 9 9 DC O5' O . . 1 1 9 9 DC C5' C . 270.0 330.0 . . . A . 8 DA O3' . . A . 9 DC P . . A . 9 DC O5' . . A . 9 DC C5' . 2lib_ambr001 . 8 ADE O3' . . . 2lib_ambr001 . 9 CYT P . . . 2lib_ambr001 . 9 CYT O5' . . . 2lib_ambr001 . 9 CYT C5' . . c17887_2lib 1 136 . . 1 1 9 9 DC O3' O . . 1 1 10 10 DG P P . . 1 1 10 10 DG O5' O . . 1 1 10 10 DG C5' C . 270.0 330.0 . . . A . 9 DC O3' . . A . 10 DG P . . A . 10 DG O5' . . A . 10 DG C5' . 2lib_ambr001 . 9 CYT O3' . . . 2lib_ambr001 . 10 GUA P . . . 2lib_ambr001 . 10 GUA O5' . . . 2lib_ambr001 . 10 GUA C5' . . c17887_2lib 1 137 . . 2 2 1 1 DC O3' O . . 2 2 2 2 DG P P . . 2 2 2 2 DG O5' O . . 2 2 2 2 DG C5' C . 270.0 330.0 . . . B . 11 DC O3' . . B . 12 DG P . . B . 12 DG O5' . . B . 12 DG C5' . 2lib_ambr002 . 1 CYT O3' . . . 2lib_ambr002 . 2 GUA P . . . 2lib_ambr002 . 2 GUA O5' . . . 2lib_ambr002 . 2 GUA C5' . . c17887_2lib 1 138 . . 2 2 2 2 DG O3' O . . 2 2 3 3 DT P P . . 2 2 3 3 DT O5' O . . 2 2 3 3 DT C5' C . 270.0 330.0 . . . B . 12 DG O3' . . B . 13 DT P . . B . 13 DT O5' . . B . 13 DT C5' . 2lib_ambr002 . 2 GUA O3' . . . 2lib_ambr002 . 3 THY P . . . 2lib_ambr002 . 3 THY O5' . . . 2lib_ambr002 . 3 THY C5' . . c17887_2lib 1 139 . . 2 2 3 3 DT O3' O . . 2 2 4 4 DC P P . . 2 2 4 4 DC O5' O . . 2 2 4 4 DC C5' C . 270.0 330.0 . . . B . 13 DT O3' . . B . 14 DC P . . B . 14 DC O5' . . B . 14 DC C5' . 2lib_ambr002 . 3 THY O3' . . . 2lib_ambr002 . 4 CYT P . . . 2lib_ambr002 . 4 CYT O5' . . . 2lib_ambr002 . 4 CYT C5' . . c17887_2lib 1 140 . . 2 2 4 4 DC O3' O . . 2 2 5 5 DC P P . . 2 2 5 5 DC O5' O . . 2 2 5 5 DC C5' C . 270.0 330.0 . . . B . 14 DC O3' . . B . 15 DC P . . B . 15 DC O5' . . B . 15 DC C5' . 2lib_ambr002 . 4 CYT O3' . . . 2lib_ambr002 . 5 CYT P . . . 2lib_ambr002 . 5 CYT O5' . . . 2lib_ambr002 . 5 CYT C5' . . c17887_2lib 1 141 . . 2 2 5 5 DC O3' O . . 2 2 6 6 DT P P . . 2 2 6 6 DT O5' O . . 2 2 6 6 DT C5' C . 270.0 330.0 . . . B . 15 DC O3' . . B . 16 DT P . . B . 16 DT O5' . . B . 16 DT C5' . 2lib_ambr002 . 5 CYT O3' . . . 2lib_ambr002 . 6 THY P . . . 2lib_ambr002 . 6 THY O5' . . . 2lib_ambr002 . 6 THY C5' . . c17887_2lib 1 142 . . 2 2 6 6 DT O3' O . . 2 2 7 7 DG P P . . 2 2 7 7 DG O5' O . . 2 2 7 7 DG C5' C . 270.0 330.0 . . . B . 16 DT O3' . . B . 17 DG P . . B . 17 DG O5' . . B . 17 DG C5' . 2lib_ambr002 . 6 THY O3' . . . 2lib_ambr002 . 7 GUA P . . . 2lib_ambr002 . 7 GUA O5' . . . 2lib_ambr002 . 7 GUA C5' . . c17887_2lib 1 143 . . 2 2 7 7 DG O3' O . . 2 2 8 8 DG P P . . 2 2 8 8 DG O5' O . . 2 2 8 8 DG C5' C . 270.0 330.0 . . . B . 17 DG O3' . . B . 18 DG P . . B . 18 DG O5' . . B . 18 DG C5' . 2lib_ambr002 . 7 GUA O3' . . . 2lib_ambr002 . 8 GUA P . . . 2lib_ambr002 . 8 GUA O5' . . . 2lib_ambr002 . 8 GUA C5' . . c17887_2lib 1 144 . . 2 2 8 8 DG O3' O . . 2 2 9 9 DA P P . . 2 2 9 9 DA O5' O . . 2 2 9 9 DA C5' C . 270.0 330.0 . . . B . 18 DG O3' . . B . 19 DA P . . B . 19 DA O5' . . B . 19 DA C5' . 2lib_ambr002 . 8 GUA O3' . . . 2lib_ambr002 . 9 ADE P . . . 2lib_ambr002 . 9 ADE O5' . . . 2lib_ambr002 . 9 ADE C5' . . c17887_2lib 1 145 . . 2 2 9 9 DA O3' O . . 2 2 10 10 DC P P . . 2 2 10 10 DC O5' O . . 2 2 10 10 DC C5' C . 270.0 330.0 . . . B . 19 DA O3' . . B . 20 DC P . . B . 20 DC O5' . . B . 20 DC C5' . 2lib_ambr002 . 9 ADE O3' . . . 2lib_ambr002 . 10 CYT P . . . 2lib_ambr002 . 10 CYT O5' . . . 2lib_ambr002 . 10 CYT C5' . . c17887_2lib 1 146 . . 1 1 2 2 DT P P . . 1 1 2 2 DT O5' O . . 1 1 2 2 DT C5' C . . 1 1 2 2 DT C4' C . 135.0 215.0 . . . A . 2 DT P . . A . 2 DT O5' . . A . 2 DT C5' . . A . 2 DT C4' . 2lib_ambr001 . 2 THY P . . . 2lib_ambr001 . 2 THY O5' . . . 2lib_ambr001 . 2 THY C5' . . . 2lib_ambr001 . 2 THY C4' . . c17887_2lib 1 147 . . 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 . 135.0 215.0 . . . A . 3 DC P . . A . 3 DC O5' . . A . 3 DC C5' . . A . 3 DC C4' . 2lib_ambr001 . 3 CYT P . . . 2lib_ambr001 . 3 CYT O5' . . . 2lib_ambr001 . 3 CYT C5' . . . 2lib_ambr001 . 3 CYT C4' . . c17887_2lib 1 148 . . 1 1 4 4 DC P P . . 1 1 4 4 DC O5' O . . 1 1 4 4 DC C5' C . . 1 1 4 4 DC C4' C . 135.0 215.0 . . . A . 4 DC P . . A . 4 DC O5' . . A . 4 DC C5' . . A . 4 DC C4' . 2lib_ambr001 . 4 CYT P . . . 2lib_ambr001 . 4 CYT O5' . . . 2lib_ambr001 . 4 CYT C5' . . . 2lib_ambr001 . 4 CYT C4' . . c17887_2lib 1 149 . . 1 1 6 6 DG P P . . 1 1 6 6 DG O5' O . . 1 1 6 6 DG C5' C . . 1 1 6 6 DG C4' C . 135.0 215.0 . . . A . 6 DG P . . A . 6 DG O5' . . A . 6 DG C5' . . A . 6 DG C4' . 2lib_ambr001 . 6 GUA P . . . 2lib_ambr001 . 6 GUA O5' . . . 2lib_ambr001 . 6 GUA C5' . . . 2lib_ambr001 . 6 GUA C4' . . c17887_2lib 1 150 . . 1 1 7 7 DG P P . . 1 1 7 7 DG O5' O . . 1 1 7 7 DG C5' C . . 1 1 7 7 DG C4' C . 135.0 215.0 . . . A . 7 DG P . . A . 7 DG O5' . . A . 7 DG C5' . . A . 7 DG C4' . 2lib_ambr001 . 7 GUA P . . . 2lib_ambr001 . 7 GUA O5' . . . 2lib_ambr001 . 7 GUA C5' . . . 2lib_ambr001 . 7 GUA C4' . . c17887_2lib 1 151 . . 1 1 8 8 DA P P . . 1 1 8 8 DA O5' O . . 1 1 8 8 DA C5' C . . 1 1 8 8 DA C4' C . 135.0 215.0 . . . A . 8 DA P . . A . 8 DA O5' . . A . 8 DA C5' . . A . 8 DA C4' . 2lib_ambr001 . 8 ADE P . . . 2lib_ambr001 . 8 ADE O5' . . . 2lib_ambr001 . 8 ADE C5' . . . 2lib_ambr001 . 8 ADE C4' . . c17887_2lib 1 152 . . 1 1 9 9 DC P P . . 1 1 9 9 DC O5' O . . 1 1 9 9 DC C5' C . . 1 1 9 9 DC C4' C . 135.0 215.0 . . . A . 9 DC P . . A . 9 DC O5' . . A . 9 DC C5' . . A . 9 DC C4' . 2lib_ambr001 . 9 CYT P . . . 2lib_ambr001 . 9 CYT O5' . . . 2lib_ambr001 . 9 CYT C5' . . . 2lib_ambr001 . 9 CYT C4' . . c17887_2lib 1 153 . . 1 1 10 10 DG P P . . 1 1 10 10 DG O5' O . . 1 1 10 10 DG C5' C . . 1 1 10 10 DG C4' C . 135.0 215.0 . . . A . 10 DG P . . A . 10 DG O5' . . A . 10 DG C5' . . A . 10 DG C4' . 2lib_ambr001 . 10 GUA P . . . 2lib_ambr001 . 10 GUA O5' . . . 2lib_ambr001 . 10 GUA C5' . . . 2lib_ambr001 . 10 GUA C4' . . c17887_2lib 1 154 . . 2 2 2 2 DG P P . . 2 2 2 2 DG O5' O . . 2 2 2 2 DG C5' C . . 2 2 2 2 DG C4' C . 135.0 215.0 . . . B . 12 DG P . . B . 12 DG O5' . . B . 12 DG C5' . . B . 12 DG C4' . 2lib_ambr002 . 2 GUA P . . . 2lib_ambr002 . 2 GUA O5' . . . 2lib_ambr002 . 2 GUA C5' . . . 2lib_ambr002 . 2 GUA C4' . . c17887_2lib 1 155 . . 2 2 3 3 DT P P . . 2 2 3 3 DT O5' O . . 2 2 3 3 DT C5' C . . 2 2 3 3 DT C4' C . 135.0 215.0 . . . B . 13 DT P . . B . 13 DT O5' . . B . 13 DT C5' . . B . 13 DT C4' . 2lib_ambr002 . 3 THY P . . . 2lib_ambr002 . 3 THY O5' . . . 2lib_ambr002 . 3 THY C5' . . . 2lib_ambr002 . 3 THY C4' . . c17887_2lib 1 156 . . 2 2 4 4 DC P P . . 2 2 4 4 DC O5' O . . 2 2 4 4 DC C5' C . . 2 2 4 4 DC C4' C . 135.0 215.0 . . . B . 14 DC P . . B . 14 DC O5' . . B . 14 DC C5' . . B . 14 DC C4' . 2lib_ambr002 . 4 CYT P . . . 2lib_ambr002 . 4 CYT O5' . . . 2lib_ambr002 . 4 CYT C5' . . . 2lib_ambr002 . 4 CYT C4' . . c17887_2lib 1 157 . . 2 2 5 5 DC P P . . 2 2 5 5 DC O5' O . . 2 2 5 5 DC C5' C . . 2 2 5 5 DC C4' C . 135.0 215.0 . . . B . 15 DC P . . B . 15 DC O5' . . B . 15 DC C5' . . B . 15 DC C4' . 2lib_ambr002 . 5 CYT P . . . 2lib_ambr002 . 5 CYT O5' . . . 2lib_ambr002 . 5 CYT C5' . . . 2lib_ambr002 . 5 CYT C4' . . c17887_2lib 1 158 . . 2 2 6 6 DT P P . . 2 2 6 6 DT O5' O . . 2 2 6 6 DT C5' C . . 2 2 6 6 DT C4' C . 135.0 215.0 . . . B . 16 DT P . . B . 16 DT O5' . . B . 16 DT C5' . . B . 16 DT C4' . 2lib_ambr002 . 6 THY P . . . 2lib_ambr002 . 6 THY O5' . . . 2lib_ambr002 . 6 THY C5' . . . 2lib_ambr002 . 6 THY C4' . . c17887_2lib 1 159 . . 2 2 7 7 DG P P . . 2 2 7 7 DG O5' O . . 2 2 7 7 DG C5' C . . 2 2 7 7 DG C4' C . 135.0 215.0 . . . B . 17 DG P . . B . 17 DG O5' . . B . 17 DG C5' . . B . 17 DG C4' . 2lib_ambr002 . 7 GUA P . . . 2lib_ambr002 . 7 GUA O5' . . . 2lib_ambr002 . 7 GUA C5' . . . 2lib_ambr002 . 7 GUA C4' . . c17887_2lib 1 160 . . 2 2 8 8 DG P P . . 2 2 8 8 DG O5' O . . 2 2 8 8 DG C5' C . . 2 2 8 8 DG C4' C . 135.0 215.0 . . . B . 18 DG P . . B . 18 DG O5' . . B . 18 DG C5' . . B . 18 DG C4' . 2lib_ambr002 . 8 GUA P . . . 2lib_ambr002 . 8 GUA O5' . . . 2lib_ambr002 . 8 GUA C5' . . . 2lib_ambr002 . 8 GUA C4' . . c17887_2lib 1 161 . . 2 2 9 9 DA P P . . 2 2 9 9 DA O5' O . . 2 2 9 9 DA C5' C . . 2 2 9 9 DA C4' C . 135.0 215.0 . . . B . 19 DA P . . B . 19 DA O5' . . B . 19 DA C5' . . B . 19 DA C4' . 2lib_ambr002 . 9 ADE P . . . 2lib_ambr002 . 9 ADE O5' . . . 2lib_ambr002 . 9 ADE C5' . . . 2lib_ambr002 . 9 ADE C4' . . c17887_2lib 1 162 . . 2 2 10 10 DC P P . . 2 2 10 10 DC O5' O . . 2 2 10 10 DC C5' C . . 2 2 10 10 DC C4' C . 135.0 215.0 . . . B . 20 DC P . . B . 20 DC O5' . . B . 20 DC C5' . . B . 20 DC C4' . 2lib_ambr002 . 10 CYT P . . . 2lib_ambr002 . 10 CYT O5' . . . 2lib_ambr002 . 10 CYT C5' . . . 2lib_ambr002 . 10 CYT C4' . . c17887_2lib 1 163 . . 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 . 30.0 90.0 . . . A . 1 DG O5' . . A . 1 DG C5' . . A . 1 DG C4' . . A . 1 DG C3' . 2lib_ambr001 . 1 GUA O5' . . . 2lib_ambr001 . 1 GUA C5' . . . 2lib_ambr001 . 1 GUA C4' . . . 2lib_ambr001 . 1 GUA C3' . . c17887_2lib 1 164 . . 1 1 2 2 DT O5' O . . 1 1 2 2 DT C5' C . . 1 1 2 2 DT C4' C . . 1 1 2 2 DT C3' C . 30.0 90.0 . . . A . 2 DT O5' . . A . 2 DT C5' . . A . 2 DT C4' . . A . 2 DT C3' . 2lib_ambr001 . 2 THY O5' . . . 2lib_ambr001 . 2 THY C5' . . . 2lib_ambr001 . 2 THY C4' . . . 2lib_ambr001 . 2 THY C3' . . c17887_2lib 1 165 . . 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 . 30.0 90.0 . . . A . 3 DC O5' . . A . 3 DC C5' . . A . 3 DC C4' . . A . 3 DC C3' . 2lib_ambr001 . 3 CYT O5' . . . 2lib_ambr001 . 3 CYT C5' . . . 2lib_ambr001 . 3 CYT C4' . . . 2lib_ambr001 . 3 CYT C3' . . c17887_2lib 1 166 . . 1 1 4 4 DC O5' O . . 1 1 4 4 DC C5' C . . 1 1 4 4 DC C4' C . . 1 1 4 4 DC C3' C . 30.0 90.0 . . . A . 4 DC O5' . . A . 4 DC C5' . . A . 4 DC C4' . . A . 4 DC C3' . 2lib_ambr001 . 4 CYT O5' . . . 2lib_ambr001 . 4 CYT C5' . . . 2lib_ambr001 . 4 CYT C4' . . . 2lib_ambr001 . 4 CYT C3' . . c17887_2lib 1 167 . . 1 1 6 6 DG O5' O . . 1 1 6 6 DG C5' C . . 1 1 6 6 DG C4' C . . 1 1 6 6 DG C3' C . 30.0 90.0 . . . A . 6 DG O5' . . A . 6 DG C5' . . A . 6 DG C4' . . A . 6 DG C3' . 2lib_ambr001 . 6 GUA O5' . . . 2lib_ambr001 . 6 GUA C5' . . . 2lib_ambr001 . 6 GUA C4' . . . 2lib_ambr001 . 6 GUA C3' . . c17887_2lib 1 168 . . 1 1 7 7 DG O5' O . . 1 1 7 7 DG C5' C . . 1 1 7 7 DG C4' C . . 1 1 7 7 DG C3' C . 30.0 90.0 . . . A . 7 DG O5' . . A . 7 DG C5' . . A . 7 DG C4' . . A . 7 DG C3' . 2lib_ambr001 . 7 GUA O5' . . . 2lib_ambr001 . 7 GUA C5' . . . 2lib_ambr001 . 7 GUA C4' . . . 2lib_ambr001 . 7 GUA C3' . . c17887_2lib 1 169 . . 1 1 8 8 DA O5' O . . 1 1 8 8 DA C5' C . . 1 1 8 8 DA C4' C . . 1 1 8 8 DA C3' C . 30.0 90.0 . . . A . 8 DA O5' . . A . 8 DA C5' . . A . 8 DA C4' . . A . 8 DA C3' . 2lib_ambr001 . 8 ADE O5' . . . 2lib_ambr001 . 8 ADE C5' . . . 2lib_ambr001 . 8 ADE C4' . . . 2lib_ambr001 . 8 ADE C3' . . c17887_2lib 1 170 . . 1 1 9 9 DC O5' O . . 1 1 9 9 DC C5' C . . 1 1 9 9 DC C4' C . . 1 1 9 9 DC C3' C . 30.0 90.0 . . . A . 9 DC O5' . . A . 9 DC C5' . . A . 9 DC C4' . . A . 9 DC C3' . 2lib_ambr001 . 9 CYT O5' . . . 2lib_ambr001 . 9 CYT C5' . . . 2lib_ambr001 . 9 CYT C4' . . . 2lib_ambr001 . 9 CYT C3' . . c17887_2lib 1 171 . . 1 1 10 10 DG O5' O . . 1 1 10 10 DG C5' C . . 1 1 10 10 DG C4' C . . 1 1 10 10 DG C3' C . 30.0 90.0 . . . A . 10 DG O5' . . A . 10 DG C5' . . A . 10 DG C4' . . A . 10 DG C3' . 2lib_ambr001 . 10 GUA O5' . . . 2lib_ambr001 . 10 GUA C5' . . . 2lib_ambr001 . 10 GUA C4' . . . 2lib_ambr001 . 10 GUA C3' . . c17887_2lib 1 172 . . 2 2 1 1 DC O5' O . . 2 2 1 1 DC C5' C . . 2 2 1 1 DC C4' C . . 2 2 1 1 DC C3' C . 30.0 90.0 . . . B . 11 DC O5' . . B . 11 DC C5' . . B . 11 DC C4' . . B . 11 DC C3' . 2lib_ambr002 . 1 CYT O5' . . . 2lib_ambr002 . 1 CYT C5' . . . 2lib_ambr002 . 1 CYT C4' . . . 2lib_ambr002 . 1 CYT C3' . . c17887_2lib 1 173 . . 2 2 2 2 DG O5' O . . 2 2 2 2 DG C5' C . . 2 2 2 2 DG C4' C . . 2 2 2 2 DG C3' C . 30.0 90.0 . . . B . 12 DG O5' . . B . 12 DG C5' . . B . 12 DG C4' . . B . 12 DG C3' . 2lib_ambr002 . 2 GUA O5' . . . 2lib_ambr002 . 2 GUA C5' . . . 2lib_ambr002 . 2 GUA C4' . . . 2lib_ambr002 . 2 GUA C3' . . c17887_2lib 1 174 . . 2 2 3 3 DT O5' O . . 2 2 3 3 DT C5' C . . 2 2 3 3 DT C4' C . . 2 2 3 3 DT C3' C . 30.0 90.0 . . . B . 13 DT O5' . . B . 13 DT C5' . . B . 13 DT C4' . . B . 13 DT C3' . 2lib_ambr002 . 3 THY O5' . . . 2lib_ambr002 . 3 THY C5' . . . 2lib_ambr002 . 3 THY C4' . . . 2lib_ambr002 . 3 THY C3' . . c17887_2lib 1 175 . . 2 2 4 4 DC O5' O . . 2 2 4 4 DC C5' C . . 2 2 4 4 DC C4' C . . 2 2 4 4 DC C3' C . 30.0 90.0 . . . B . 14 DC O5' . . B . 14 DC C5' . . B . 14 DC C4' . . B . 14 DC C3' . 2lib_ambr002 . 4 CYT O5' . . . 2lib_ambr002 . 4 CYT C5' . . . 2lib_ambr002 . 4 CYT C4' . . . 2lib_ambr002 . 4 CYT C3' . . c17887_2lib 1 176 . . 2 2 5 5 DC O5' O . . 2 2 5 5 DC C5' C . . 2 2 5 5 DC C4' C . . 2 2 5 5 DC C3' C . 30.0 90.0 . . . B . 15 DC O5' . . B . 15 DC C5' . . B . 15 DC C4' . . B . 15 DC C3' . 2lib_ambr002 . 5 CYT O5' . . . 2lib_ambr002 . 5 CYT C5' . . . 2lib_ambr002 . 5 CYT C4' . . . 2lib_ambr002 . 5 CYT C3' . . c17887_2lib 1 177 . . 2 2 6 6 DT O5' O . . 2 2 6 6 DT C5' C . . 2 2 6 6 DT C4' C . . 2 2 6 6 DT C3' C . 30.0 90.0 . . . B . 16 DT O5' . . B . 16 DT C5' . . B . 16 DT C4' . . B . 16 DT C3' . 2lib_ambr002 . 6 THY O5' . . . 2lib_ambr002 . 6 THY C5' . . . 2lib_ambr002 . 6 THY C4' . . . 2lib_ambr002 . 6 THY C3' . . c17887_2lib 1 178 . . 2 2 7 7 DG O5' O . . 2 2 7 7 DG C5' C . . 2 2 7 7 DG C4' C . . 2 2 7 7 DG C3' C . 30.0 90.0 . . . B . 17 DG O5' . . B . 17 DG C5' . . B . 17 DG C4' . . B . 17 DG C3' . 2lib_ambr002 . 7 GUA O5' . . . 2lib_ambr002 . 7 GUA C5' . . . 2lib_ambr002 . 7 GUA C4' . . . 2lib_ambr002 . 7 GUA C3' . . c17887_2lib 1 179 . . 2 2 8 8 DG O5' O . . 2 2 8 8 DG C5' C . . 2 2 8 8 DG C4' C . . 2 2 8 8 DG C3' C . 30.0 90.0 . . . B . 18 DG O5' . . B . 18 DG C5' . . B . 18 DG C4' . . B . 18 DG C3' . 2lib_ambr002 . 8 GUA O5' . . . 2lib_ambr002 . 8 GUA C5' . . . 2lib_ambr002 . 8 GUA C4' . . . 2lib_ambr002 . 8 GUA C3' . . c17887_2lib 1 180 . . 2 2 9 9 DA O5' O . . 2 2 9 9 DA C5' C . . 2 2 9 9 DA C4' C . . 2 2 9 9 DA C3' C . 30.0 90.0 . . . B . 19 DA O5' . . B . 19 DA C5' . . B . 19 DA C4' . . B . 19 DA C3' . 2lib_ambr002 . 9 ADE O5' . . . 2lib_ambr002 . 9 ADE C5' . . . 2lib_ambr002 . 9 ADE C4' . . . 2lib_ambr002 . 9 ADE C3' . . c17887_2lib 1 181 . . 2 2 10 10 DC O5' O . . 2 2 10 10 DC C5' C . . 2 2 10 10 DC C4' C . . 2 2 10 10 DC C3' C . 30.0 90.0 . . . B . 20 DC O5' . . B . 20 DC C5' . . B . 20 DC C4' . . B . 20 DC C3' . 2lib_ambr002 . 10 CYT O5' . . . 2lib_ambr002 . 10 CYT C5' . . . 2lib_ambr002 . 10 CYT C4' . . . 2lib_ambr002 . 10 CYT C3' . . c17887_2lib 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 'G-C Base pair angle restraints' 1 1 1 33 c17887_2lib 1 2 'A-T Base Pair angle restraints' 73 1 73 32 c17887_2lib 1 3 ================================================================= 88 1 88 67 c17887_2lib 1 4 "1 GUA NU0: (1 DG5 C4')-(1 DG5 O4')-(1 DG5 C1')-(1 DG5 C2') -49.8 -19.8" 91 1 91 74 c17887_2lib 1 5 "1 GUA NU1: (1 DG5 O4')-(1 DG5 C1')-(1 DG5 C2')-(1 DG5 C3') 10.2 40.2" 96 1 96 74 c17887_2lib 1 6 "1 GUA NU2: (1 DG5 C1')-(1 DG5 C2')-(1 DG5 C3')-(1 DG5 C4') -31.1 11.9" 101 1 101 74 c17887_2lib 1 7 "1 GUA NU3: (1 DG5 C2')-(1 DG5 C3')-(1 DG5 C4')-(1 DG5 O4') -31.1 11.9" 106 1 106 74 c17887_2lib 1 8 "1 GUA NU4: (1 DG5 C3')-(1 DG5 C4')-(1 DG5 O4')-(1 DG5 C1') 10.2 40.2" 111 1 111 74 c17887_2lib 1 9 "2 THY NU0: (2 DT C4')-(2 DT O4')-(2 DT C1')-(2 DT C2') -43.5 -13.5" 116 1 116 70 c17887_2lib 1 10 "2 THY NU1: (2 DT O4')-(2 DT C1')-(2 DT C2')-(2 DT C3') 22.6 52.6" 121 1 121 70 c17887_2lib 1 11 "2 THY NU2: (2 DT C1')-(2 DT C2')-(2 DT C3')-(2 DT C4') -46.9 -16.9" 126 1 126 70 c17887_2lib 1 12 "2 THY NU3: (2 DT C2')-(2 DT C3')-(2 DT C4')-(2 DT O4') -0.7 29.3" 131 1 131 70 c17887_2lib 1 13 "2 THY NU4: (2 DT C3')-(2 DT C4')-(2 DT O4')-(2 DT C1') -6.2 23.8" 136 1 136 70 c17887_2lib 1 14 "3 CYT NU0: (3 DC C4')-(3 DC O4')-(3 DC C1')-(3 DC C2') -42.8 -12.8" 141 1 141 70 c17887_2lib 1 15 "3 CYT NU1: (3 DC O4')-(3 DC C1')-(3 DC C2')-(3 DC C3') 22.0 52.0" 146 1 146 70 c17887_2lib 1 16 "3 CYT NU2: (3 DC C1')-(3 DC C2')-(3 DC C3')-(3 DC C4') -46.1 -16.1" 151 1 151 70 c17887_2lib 1 17 "3 CYT NU3: (3 DC C2')-(3 DC C3')-(3 DC C4')-(3 DC O4') -1.0 29.0" 156 1 156 70 c17887_2lib 1 18 "3 CYT NU4: (3 DC C3')-(3 DC C4')-(3 DC O4')-(3 DC C1') -6.4 23.6" 161 1 161 70 c17887_2lib 1 19 "4 CYT NU0: (4 DC C4')-(4 DC O4')-(4 DC C1')-(4 DC C2') -44.6 -14.6" 166 1 166 70 c17887_2lib 1 20 "4 CYT NU1: (4 DC O4')-(4 DC C1')-(4 DC C2')-(4 DC C3') 22.6 52.6" 171 1 171 70 c17887_2lib 1 21 "4 CYT NU2: (4 DC C1')-(4 DC C2')-(4 DC C3')-(4 DC C4') -44.6 -14.6" 176 1 176 70 c17887_2lib 1 22 "4 CYT NU3: (4 DC C2')-(4 DC C3')-(4 DC C4')-(4 DC O4') -3.7 26.3" 181 1 181 70 c17887_2lib 1 23 "4 CYT NU4: (4 DC C3')-(4 DC C4')-(4 DC O4')-(4 DC C1') -3.7 26.3" 186 1 186 70 c17887_2lib 1 24 "6 GUA NU0: (6 DG C4')-(6 DG O4')-(6 DG C1')-(6 DG C2') -50.4 -20.4" 191 1 191 70 c17887_2lib 1 25 "6 GUA NU1: (6 DG O4')-(6 DG C1')-(6 DG C2')-(6 DG C3') 9.9 39.9" 196 1 196 70 c17887_2lib 1 26 "6 GUA NU2: (6 DG C1')-(6 DG C2')-(6 DG C3')-(6 DG C4') -21.0 10.0" 201 1 201 70 c17887_2lib 1 27 "6 GUA NU3: (6 DG C2')-(6 DG C3')-(6 DG C4')-(6 DG O4') -31.0 -1.0" 206 1 206 70 c17887_2lib 1 28 "6 GUA NU4: (6 DG C3')-(6 DG C4')-(6 DG O4')-(6 DG C1') 16.3 46.3" 211 1 211 70 c17887_2lib 1 29 "7 GUA NU0: (7 DG C4')-(7 DG O4')-(7 DG C1')-(7 DG C2') -43.5 -13.5" 216 1 216 70 c17887_2lib 1 30 "7 GUA NU1: (7 DG O4')-(7 DG C1')-(7 DG C2')-(7 DG C3') 21.8 51.8" 221 1 221 70 c17887_2lib 1 31 "7 GUA NU2: (7 DG C1')-(7 DG C2')-(7 DG C3')-(7 DG C4') -43.4 -13.4" 226 1 226 70 c17887_2lib 1 32 "7 GUA NU3: (7 DG C2')-(7 DG C3')-(7 DG C4')-(7 DG O4') -4.1 25.9" 231 1 231 70 c17887_2lib 1 33 "7 GUA NU4: (7 DG C3')-(7 DG C4')-(7 DG O4')-(7 DG C1') -4.1 25.9" 236 1 236 70 c17887_2lib 1 34 "8 ADE NU0: (8 DA C4')-(8 DA O4')-(8 DA C1')-(8 DA C2') -37.7 0.0" 241 1 241 70 c17887_2lib 1 35 "8 ADE NU1: (8 DA O4')-(8 DA C1')-(8 DA C2')-(8 DA C3') 15.6 45.6" 246 1 246 70 c17887_2lib 1 36 "8 ADE NU2: (8 DA C1')-(8 DA C2')-(8 DA C3')-(8 DA C4') -43.9 -13.9" 251 1 251 70 c17887_2lib 1 37 "8 ADE NU3: (8 DA C2')-(8 DA C3')-(8 DA C4')-(8 DA O4') -4.0 36.6" 256 1 256 70 c17887_2lib 1 38 "8 ADE NU4: (8 DA C3')-(8 DA C4')-(8 DA O4')-(8 DA C1') -22.6 25.8" 261 1 261 70 c17887_2lib 1 39 "9 CYT NU0: (9 DC C4')-(9 DC O4')-(9 DC C1')-(9 DC C2') -48.1 -18.1" 266 1 266 70 c17887_2lib 1 40 "9 CYT NU1: (9 DC O4')-(9 DC C1')-(9 DC C2')-(9 DC C3') 19.8 49.8" 271 1 271 70 c17887_2lib 1 41 "9 CYT NU2: (9 DC C1')-(9 DC C2')-(9 DC C3')-(9 DC C4') -37.9 -7.9" 276 1 276 70 c17887_2lib 1 42 "9 CYT NU3: (9 DC C2')-(9 DC C3')-(9 DC C4')-(9 DC O4') -12.5 17.5" 281 1 281 70 c17887_2lib 1 43 "9 CYT NU4: (9 DC C3')-(9 DC C4')-(9 DC O4')-(9 DC C1') 3.9 33.9" 286 1 286 70 c17887_2lib 1 44 "10 GUA NU0: (10 DG3 C4')-(10 DG3 O4')-(10 DG3 C1')-(10 DG3 C2') -45.2 -15.2" 291 1 291 79 c17887_2lib 1 45 "10 GUA NU1: (10 DG3 O4')-(10 DG3 C1')-(10 DG3 C2')-(10 DG3 C3') 22.6 52.6" 296 1 296 79 c17887_2lib 1 46 "10 GUA NU2: (10 DG3 C1')-(10 DG3 C2')-(10 DG3 C3')-(10 DG3 C4') -44.4 -14.4" 301 1 301 79 c17887_2lib 1 47 "10 GUA NU3: (10 DG3 C2')-(10 DG3 C3')-(10 DG3 C4')-(10 DG3 O4') -4.2 25.8" 306 1 306 79 c17887_2lib 1 48 "10 GUA NU4: (10 DG3 C3')-(10 DG3 C4')-(10 DG3 O4')-(10 DG3 C1') -3.0 27.0" 311 1 311 79 c17887_2lib 1 49 "11 CYT NU0: (11 DC5 C4')-(11 DC5 O4')-(11 DC5 C1')-(11 DC5 C2') -41.1 -11.1" 316 1 316 79 c17887_2lib 1 50 "11 CYT NU1: (11 DC5 O4')-(11 DC5 C1')-(11 DC5 C2')-(11 DC5 C3') 20.8 50.8" 321 1 321 79 c17887_2lib 1 51 "11 CYT NU2: (11 DC5 C1')-(11 DC5 C2')-(11 DC5 C3')-(11 DC5 C4') -44.7 -14.7" 326 1 326 79 c17887_2lib 1 52 "11 CYT NU3: (11 DC5 C2')-(11 DC5 C3')-(11 DC5 C4')-(11 DC5 O4') -2.0 29.1" 331 1 331 79 c17887_2lib 1 53 "11 CYT NU4: (11 DC5 C3')-(11 DC5 C4')-(11 DC5 O4')-(11 DC5 C1') -8.6 24.2" 336 1 336 79 c17887_2lib 1 54 "12 GUA NU0: (12 DG C4')-(12 DG O4')-(12 DG C1')-(12 DG C2') -39.1 -9.1" 341 1 341 75 c17887_2lib 1 55 "12 GUA NU1: (12 DG O4')-(12 DG C1')-(12 DG C2')-(12 DG C3') 19.8 49.8" 346 1 346 75 c17887_2lib 1 56 "12 GUA NU2: (12 DG C1')-(12 DG C2')-(12 DG C3')-(12 DG C4') -45.8 -15.8" 351 1 351 75 c17887_2lib 1 57 "12 GUA NU3: (12 DG C2')-(12 DG C3')-(12 DG C4')-(12 DG O4') 0.7 31.1" 356 1 356 75 c17887_2lib 1 58 "12 GUA NU4: (12 DG C3')-(12 DG C4')-(12 DG O4')-(12 DG C1') -11.8 22.1" 361 1 361 75 c17887_2lib 1 59 "13 THY NU0: (13 DT C4')-(13 DT O4')-(13 DT C1')-(13 DT C2') -27.2 12.5" 366 1 366 75 c17887_2lib 1 60 "13 THY NU1: (13 DT O4')-(13 DT C1')-(13 DT C2')-(13 DT C3') 9.7 39.7" 371 1 371 75 c17887_2lib 1 61 "13 THY NU2: (13 DT C1')-(13 DT C2')-(13 DT C3')-(13 DT C4') -49.6 -19.6" 376 1 376 75 c17887_2lib 1 62 "13 THY NU3: (13 DT C2')-(13 DT C3')-(13 DT C4')-(13 DT O4') 13.0 43.0" 381 1 381 75 c17887_2lib 1 63 "13 THY NU4: (13 DT C3')-(13 DT C4')-(13 DT O4')-(13 DT C1') -31.5 6.0" 386 1 386 75 c17887_2lib 1 64 "14 CYT NU0: (14 DC C4')-(14 DC O4')-(14 DC C1')-(14 DC C2') -36.5 -6.5" 391 1 391 75 c17887_2lib 1 65 "14 CYT NU1: (14 DC O4')-(14 DC C1')-(14 DC C2')-(14 DC C3') 18.1 48.1" 396 1 396 75 c17887_2lib 1 66 "14 CYT NU2: (14 DC C1')-(14 DC C2')-(14 DC C3')-(14 DC C4') -45.8 -15.8" 401 1 401 75 c17887_2lib 1 67 "14 CYT NU3: (14 DC C2')-(14 DC C3')-(14 DC C4')-(14 DC O4') 0.7 34.0" 406 1 406 75 c17887_2lib 1 68 "14 CYT NU4: (14 DC C3')-(14 DC C4')-(14 DC O4')-(14 DC C1') -16.8 22.1" 411 1 411 75 c17887_2lib 1 69 "15 CYT NU0: (15 DC C4')-(15 DC O4')-(15 DC C1')-(15 DC C2') -44.7 -14.7" 416 1 416 75 c17887_2lib 1 70 "15 CYT NU1: (15 DC O4')-(15 DC C1')-(15 DC C2')-(15 DC C3') 20.2 50.2" 421 1 421 75 c17887_2lib 1 71 "15 CYT NU2: (15 DC C1')-(15 DC C2')-(15 DC C3')-(15 DC C4') -40.2 -10.2" 426 1 426 75 c17887_2lib 1 72 "15 CYT NU3: (15 DC C2')-(15 DC C3')-(15 DC C4')-(15 DC O4') -10.6 24.2" 431 1 431 75 c17887_2lib 1 73 "15 CYT NU4: (15 DC C3')-(15 DC C4')-(15 DC O4')-(15 DC C1') -1.9 30.3" 436 1 436 75 c17887_2lib 1 74 "16 THY NU0: (16 DT C4')-(16 DT O4')-(16 DT C1')-(16 DT C2') -40.2 -10.2" 441 1 441 75 c17887_2lib 1 75 "16 THY NU1: (16 DT O4')-(16 DT C1')-(16 DT C2')-(16 DT C3') 19.2 49.2" 446 1 446 75 c17887_2lib 1 76 "16 THY NU2: (16 DT C1')-(16 DT C2')-(16 DT C3')-(16 DT C4') -39.2 -9.2" 451 1 451 75 c17887_2lib 1 77 "16 THY NU3: (16 DT C2')-(16 DT C3')-(16 DT C4')-(16 DT O4') -13.8 31.1" 456 1 456 75 c17887_2lib 1 78 "16 THY NU4: (16 DT C3')-(16 DT C4')-(16 DT O4')-(16 DT C1') -11.8 32.3" 461 1 461 75 c17887_2lib 1 79 "17 GUA NU0: (17 DG C4')-(17 DG O4')-(17 DG C1')-(17 DG C2') -35.5 -5.5" 466 1 466 75 c17887_2lib 1 80 "17 GUA NU1: (17 DG O4')-(17 DG C1')-(17 DG C2')-(17 DG C3') 19.8 49.8" 471 1 471 75 c17887_2lib 1 81 "17 GUA NU2: (17 DG C1')-(17 DG C2')-(17 DG C3')-(17 DG C4') -50.8 -20.8" 476 1 476 75 c17887_2lib 1 82 "17 GUA NU3: (17 DG C2')-(17 DG C3')-(17 DG C4')-(17 DG O4') 8.1 38.1" 481 1 481 75 c17887_2lib 1 83 "17 GUA NU4: (17 DG C3')-(17 DG C4')-(17 DG O4')-(17 DG C1') -16.6 13.4" 486 1 486 75 c17887_2lib 1 84 "18 GUA NU0: (18 DG C4')-(18 DG O4')-(18 DG C1')-(18 DG C2') -42.0 -12.0" 491 1 491 75 c17887_2lib 1 85 "18 GUA NU1: (18 DG O4')-(18 DG C1')-(18 DG C2')-(18 DG C3') 21.3 51.3" 496 1 496 75 c17887_2lib 1 86 "18 GUA NU2: (18 DG C1')-(18 DG C2')-(18 DG C3')-(18 DG C4') -44.5 -14.5" 501 1 501 75 c17887_2lib 1 87 "18 GUA NU3: (18 DG C2')-(18 DG C3')-(18 DG C4')-(18 DG O4') -2.2 27.8" 506 1 506 75 c17887_2lib 1 88 "18 GUA NU4: (18 DG C3')-(18 DG C4')-(18 DG O4')-(18 DG C1') -6.6 24.2" 511 1 511 75 c17887_2lib 1 89 "19 ADE NU0: (19 DA C4')-(19 DA O4')-(19 DA C1')-(19 DA C2') -40.2 -10.2" 516 1 516 75 c17887_2lib 1 90 "19 ADE NU1: (19 DA O4')-(19 DA C1')-(19 DA C2')-(19 DA C3') 19.8 49.8" 521 1 521 75 c17887_2lib 1 91 "19 ADE NU2: (19 DA C1')-(19 DA C2')-(19 DA C3')-(19 DA C4') -40.8 -10.8" 526 1 526 75 c17887_2lib 1 92 "19 ADE NU3: (19 DA C2')-(19 DA C3')-(19 DA C4')-(19 DA O4') -10.6 31.1" 531 1 531 75 c17887_2lib 1 93 "19 ADE NU4: (19 DA C3')-(19 DA C4')-(19 DA O4')-(19 DA C1') -11.8 30.3" 536 1 536 75 c17887_2lib 1 94 "20 CYT NU0: (20 DC3 C4')-(20 DC3 O4')-(20 DC3 C1')-(20 DC3 C2') -47.9 -17.9" 541 1 541 79 c17887_2lib 1 95 "20 CYT NU1: (20 DC3 O4')-(20 DC3 C1')-(20 DC3 C2')-(20 DC3 C3') 15.8 45.8" 546 1 546 79 c17887_2lib 1 96 "20 CYT NU2: (20 DC3 C1')-(20 DC3 C2')-(20 DC3 C3')-(20 DC3 C4') -34.3 -0.7" 551 1 551 79 c17887_2lib 1 97 "20 CYT NU3: (20 DC3 C2')-(20 DC3 C3')-(20 DC3 C4')-(20 DC3 O4') -22.1 17.5" 556 1 556 79 c17887_2lib 1 98 "20 CYT NU4: (20 DC3 C3')-(20 DC3 C4')-(20 DC3 O4')-(20 DC3 C1') 6.1 36.4" 561 1 561 79 c17887_2lib 1 99 ; ================================================================================== 631 atoms read from pdb file CaAG.pdb. no rsts: az C4, abgz A5, a G6 1 GUA EPSILN: (1 DG5 C4')-(1 DG5 C3')-(1 DG5 O3')-(2 DT P) 174.0 214.0 ; 565 1 569 74 c17887_2lib 1 100 "2 THY EPSILN: (2 DT C4')-(2 DT C3')-(2 DT O3')-(3 DC P) 178.0 198.0" 574 1 574 71 c17887_2lib 1 101 "3 CYT EPSILN: (3 DC C4')-(3 DC C3')-(3 DC O3')-(4 DC P) 172.0 212.0" 579 1 579 71 c17887_2lib 1 102 "4 CYT EPSILN: (4 DC C4')-(4 DC C3')-(4 DC O3')-(5 DA P) 169.0 194.0" 584 1 584 71 c17887_2lib 1 103 "5 ADE EPSILN: (5 DA C4')-(5 DA C3')-(5 DA O3')-(6 DG P) 194.0 218.0" 589 1 589 71 c17887_2lib 1 104 "6 GUA EPSILN: (6 DG C4')-(6 DG C3')-(6 DG O3')-(7 DG P) 177.0 197.0" 594 1 594 71 c17887_2lib 1 105 "7 GUA EPSILN: (7 DG C4')-(7 DG C3')-(7 DG O3')-(8 DA P) 181.0 201.0" 599 1 599 71 c17887_2lib 1 106 "8 ADE EPSILN: (8 DA C4')-(8 DA C3')-(8 DA O3')-(9 DC P) 179.0 199.0" 604 1 604 71 c17887_2lib 1 107 "9 CYT EPSILN: (9 DC C4')-(9 DC C3')-(9 DC O3')-(10 DG3 P) 182.0 206.0" 609 1 609 73 c17887_2lib 1 108 "11 CYT EPSILN: (11 DC5 C4')-(11 DC5 C3')-(11 DC5 O3')-(12 DG P) 183.0 213.0" 614 1 614 79 c17887_2lib 1 109 "12 GUA EPSILN: (12 DG C4')-(12 DG C3')-(12 DG O3')-(13 DT P) 176.0 196.0" 619 1 619 76 c17887_2lib 1 110 "13 THY EPSILN: (13 DT C4')-(13 DT C3')-(13 DT O3')-(14 DC P) 174.0 194.0" 624 1 624 76 c17887_2lib 1 111 "14 CYT EPSILN: (14 DC C4')-(14 DC C3')-(14 DC O3')-(15 DC P) 184.0 204.0" 629 1 629 76 c17887_2lib 1 112 "15 CYT EPSILN: (15 DC C4')-(15 DC C3')-(15 DC O3')-(16 DT P) 157.0 207.0" 634 1 634 76 c17887_2lib 1 113 "16 THY EPSILN: (16 DT C4')-(16 DT C3')-(16 DT O3')-(17 DG P) 166.0 216.0" 639 1 639 76 c17887_2lib 1 114 "17 GUA EPSILN: (17 DG C4')-(17 DG C3')-(17 DG O3')-(18 DG P) 180.0 200.0" 644 1 644 76 c17887_2lib 1 115 "18 GUA EPSILN: (18 DG C4')-(18 DG C3')-(18 DG O3')-(19 DA P) 179.0 203.0" 649 1 649 76 c17887_2lib 1 116 "19 ADE EPSILN: (19 DA C4')-(19 DA C3')-(19 DA O3')-(20 DC3 P) 181.0 201.0" 654 1 654 77 c17887_2lib 1 117 "1 GUA ZETA: (1 DG5 C3')-(1 DG5 O3')-(2 DT P)-(2 DT O5') 150.0 315.0" 659 1 659 71 c17887_2lib 1 118 "2 THY ZETA: (2 DT C3')-(2 DT O3')-(3 DC P)-(3 DC O5') 150.0 315.0" 664 1 664 69 c17887_2lib 1 119 "3 CYT ZETA: (3 DC C3')-(3 DC O3')-(4 DC P)-(4 DC O5') 150.0 315.0" 669 1 669 69 c17887_2lib 1 120 ; ====================================================================== 4 CYT ZETA: (4 DC C3')-(4 DC O3')-(5 DA P)-(5 DA O5') 150.0 315.0 &rst iat = 118, 123, 124, 127, r1 = 130.0, r2 = 150.0, r3 = 315.0, r4 = 335.0, rk2 = 50.0, rk3 = 50.0, &end ======================================================================= 6 GUA ZETA: (6 DG C3')-(6 DG O3')-(7 DG P)-(7 DG O5') 150.0 315.0 ; 673 1 680 69 c17887_2lib 1 121 "7 GUA ZETA: (7 DG C3')-(7 DG O3')-(8 DA P)-(8 DA O5') 150.0 315.0" 685 1 685 69 c17887_2lib 1 122 "8 ADE ZETA: (8 DA C3')-(8 DA O3')-(9 DC P)-(9 DC O5') 150.0 315.0" 690 1 690 69 c17887_2lib 1 123 "9 CYT ZETA: (9 DC C3')-(9 DC O3')-(10 DG3 P)-(10 DG3 O5') 150.0 315.0" 695 1 695 73 c17887_2lib 1 124 "11 CYT ZETA: (11 DC5 C3')-(11 DC5 O3')-(12 DG P)-(12 DG O5') 150.0 315.0" 700 1 700 76 c17887_2lib 1 125 "12 GUA ZETA: (12 DG C3')-(12 DG O3')-(13 DT P)-(13 DT O5') 150.0 315.0" 705 1 705 74 c17887_2lib 1 126 "13 THY ZETA: (13 DT C3')-(13 DT O3')-(14 DC P)-(14 DC O5') 150.0 315.0" 710 1 710 74 c17887_2lib 1 127 "14 CYT ZETA: (14 DC C3')-(14 DC O3')-(15 DC P)-(15 DC O5') 150.0 315.0" 715 1 715 74 c17887_2lib 1 128 "15 CYT ZETA: (15 DC C3')-(15 DC O3')-(16 DT P)-(16 DT O5') 150.0 315.0" 720 1 720 74 c17887_2lib 1 129 "16 THY ZETA: (16 DT C3')-(16 DT O3')-(17 DG P)-(17 DG O5') 150.0 315.0" 725 1 725 74 c17887_2lib 1 130 "17 GUA ZETA: (17 DG C3')-(17 DG O3')-(18 DG P)-(18 DG O5') 150.0 315.0" 730 1 730 74 c17887_2lib 1 131 "18 GUA ZETA: (18 DG C3')-(18 DG O3')-(19 DA P)-(19 DA O5') 150.0 315.0" 735 1 735 74 c17887_2lib 1 132 "19 ADE ZETA: (19 DA C3')-(19 DA O3')-(20 DC3 P)-(20 DC3 O5') 150.0 315.0" 740 1 740 76 c17887_2lib 1 133 "2 THY ALPHA: (1 DG5 O3')-(2 DT P)-(2 DT O5')-(2 DT C5') 270.0 330.0" 745 1 745 71 c17887_2lib 1 134 "3 CYT ALPHA: (2 DT O3')-(3 DC P)-(3 DC O5')-(3 DC C5') 270.0 330.0" 750 1 750 70 c17887_2lib 1 135 ; ==================================================================== 4 CYT ALPHA: (3 DC O3')-(4 DC P)-(4 DC O5')-(4 DC C5') 270.0 330.0 &rst iat = 93, 94, 97, 98, r1 = 250.1, r2 = 270.0, r3 = 330.0, r4 = 350.1, rk2 = 50.0, rk3 = 50.0, &end ===================================================================== 6 GUA ALPHA: (5 DA O3')-(6 DG P)-(6 DG O5')-(6 DG C5') 270.0 330.0 ; 754 1 761 70 c17887_2lib 1 136 "7 GUA ALPHA: (6 DG O3')-(7 DG P)-(7 DG O5')-(7 DG C5') 270.0 330.0" 766 1 766 70 c17887_2lib 1 137 "8 ADE ALPHA: (7 DG O3')-(8 DA P)-(8 DA O5')-(8 DA C5') 270.0 330.0" 771 1 771 70 c17887_2lib 1 138 "9 CYT ALPHA: (8 DA O3')-(9 DC P)-(9 DC O5')-(9 DC C5') 270.0 330.0" 776 1 776 70 c17887_2lib 1 139 "10 GUA ALPHA: (9 DC O3')-(10 DG3 P)-(10 DG3 O5')-(10 DG3 C5') 270.0 330.0" 781 1 781 77 c17887_2lib 1 140 "12 GUA ALPHA: (11 DC5 O3')-(12 DG P)-(12 DG O5')-(12 DG C5') 270.0 330.0" 786 1 786 76 c17887_2lib 1 141 "13 THY ALPHA: (12 DG O3')-(13 DT P)-(13 DT O5')-(13 DT C5') 270.0 330.0" 791 1 791 75 c17887_2lib 1 142 "14 CYT ALPHA: (13 DT O3')-(14 DC P)-(14 DC O5')-(14 DC C5') 270.0 330.0" 796 1 796 75 c17887_2lib 1 143 "15 CYT ALPHA: (14 DC O3')-(15 DC P)-(15 DC O5')-(15 DC C5') 270.0 330.0" 801 1 801 75 c17887_2lib 1 144 "16 THY ALPHA: (15 DC O3')-(16 DT P)-(16 DT O5')-(16 DT C5') 270.0 330.0" 806 1 806 75 c17887_2lib 1 145 "17 GUA ALPHA: (16 DT O3')-(17 DG P)-(17 DG O5')-(17 DG C5') 270.0 330.0" 811 1 811 75 c17887_2lib 1 146 "18 GUA ALPHA: (17 DG O3')-(18 DG P)-(18 DG O5')-(18 DG C5') 270.0 330.0" 816 1 816 75 c17887_2lib 1 147 "19 ADE ALPHA: (18 DG O3')-(19 DA P)-(19 DA O5')-(19 DA C5') 270.0 330.0" 821 1 821 75 c17887_2lib 1 148 "20 CYT ALPHA: (19 DA O3')-(20 DC3 P)-(20 DC3 O5')-(20 DC3 C5') 270.0 330.0" 826 1 826 78 c17887_2lib 1 149 "2 THY BETA: (2 DT P)-(2 DT O5')-(2 DT C5')-(2 DT C4') 135.0 215.0" 832 1 832 69 c17887_2lib 1 150 "3 CYT BETA: (3 DC P)-(3 DC O5')-(3 DC C5')-(3 DC C4') 135.0 215.0" 837 1 837 69 c17887_2lib 1 151 "4 CYT BETA: (4 DC P)-(4 DC O5')-(4 DC C5')-(4 DC C4') 135.0 215.0" 842 1 842 69 c17887_2lib 1 152 "6 GUA BETA: (6 DG P)-(6 DG O5')-(6 DG C5')-(6 DG C4') 135.0 215.0" 847 1 847 69 c17887_2lib 1 153 "7 GUA BETA: (7 DG P)-(7 DG O5')-(7 DG C5')-(7 DG C4') 135.0 215.0" 852 1 852 69 c17887_2lib 1 154 "8 ADE BETA: (8 DA P)-(8 DA O5')-(8 DA C5')-(8 DA C4') 135.0 215.0" 857 1 857 69 c17887_2lib 1 155 "9 CYT BETA: (9 DC P)-(9 DC O5')-(9 DC C5')-(9 DC C4') 135.0 215.0" 862 1 862 69 c17887_2lib 1 156 "10 GUA BETA: (10 DG3 P)-(10 DG3 O5')-(10 DG3 C5')-(10 DG3 C4') 135.0 215.0" 867 1 867 78 c17887_2lib 1 157 "12 GUA BETA: (12 DG P)-(12 DG O5')-(12 DG C5')-(12 DG C4') 135.0 215.0" 872 1 872 74 c17887_2lib 1 158 "13 THY BETA: (13 DT P)-(13 DT O5')-(13 DT C5')-(13 DT C4') 135.0 215.0" 877 1 877 74 c17887_2lib 1 159 "14 CYT BETA: (14 DC P)-(14 DC O5')-(14 DC C5')-(14 DC C4') 135.0 215.0" 882 1 882 74 c17887_2lib 1 160 "15 CYT BETA: (15 DC P)-(15 DC O5')-(15 DC C5')-(15 DC C4') 135.0 215.0" 887 1 887 74 c17887_2lib 1 161 "16 THY BETA: (16 DT P)-(16 DT O5')-(16 DT C5')-(16 DT C4') 135.0 215.0" 892 1 892 74 c17887_2lib 1 162 "17 GUA BETA: (17 DG P)-(17 DG O5')-(17 DG C5')-(17 DG C4') 135.0 215.0" 897 1 897 74 c17887_2lib 1 163 "18 GUA BETA: (18 DG P)-(18 DG O5')-(18 DG C5')-(18 DG C4') 135.0 215.0" 902 1 902 74 c17887_2lib 1 164 "19 ADE BETA: (19 DA P)-(19 DA O5')-(19 DA C5')-(19 DA C4') 135.0 215.0" 907 1 907 74 c17887_2lib 1 165 "20 CYT BETA: (20 DC3 P)-(20 DC3 O5')-(20 DC3 C5')-(20 DC3 C4') 135.0 215.0" 912 1 912 78 c17887_2lib 1 166 "1 GUA GAMMA: (1 DG5 O5')-(1 DG5 C5')-(1 DG5 C4')-(1 DG5 C3') 30.0 90.0" 917 1 917 76 c17887_2lib 1 167 "2 THY GAMMA: (2 DT O5')-(2 DT C5')-(2 DT C4')-(2 DT C3') 30.0 90.0" 922 1 922 72 c17887_2lib 1 168 "3 CYT GAMMA: (3 DC O5')-(3 DC C5')-(3 DC C4')-(3 DC C3') 30.0 90.0" 927 1 927 72 c17887_2lib 1 169 "4 CYT GAMMA: (4 DC O5')-(4 DC C5')-(4 DC C4')-(4 DC C3') 30.0 90.0" 932 1 932 72 c17887_2lib 1 170 ; ====================================================================== 5 ADE GAMMA: (5 DA O5')-(5 DA C5')-(5 DA C4')-(5 DA C3') 30.0 90.0 &rst iat = 127, 128, 131, 150, r1 = 10.3, r2 = 30.0, r3 = 90.0, r4 = 110.3, rk2 = 50.0, rk3 = 50.0, &end ====================================================================== 6 GUA GAMMA: (6 DG O5')-(6 DG C5')-(6 DG C4')-(6 DG C3') 30.0 90.0 ; 936 1 942 72 c17887_2lib 1 171 "7 GUA GAMMA: (7 DG O5')-(7 DG C5')-(7 DG C4')-(7 DG C3') 30.0 90.0" 947 1 947 72 c17887_2lib 1 172 "8 ADE GAMMA: (8 DA O5')-(8 DA C5')-(8 DA C4')-(8 DA C3') 30.0 90.0" 952 1 952 72 c17887_2lib 1 173 "9 CYT GAMMA: (9 DC O5')-(9 DC C5')-(9 DC C4')-(9 DC C3') 30.0 90.0" 957 1 957 72 c17887_2lib 1 174 "10 GUA GAMMA: (10 DG3 O5')-(10 DG3 C5')-(10 DG3 C4')-(10 DG3 C3') 30.0 90.0" 962 1 962 81 c17887_2lib 1 175 "11 CYT GAMMA: (11 DC5 O5')-(11 DC5 C5')-(11 DC5 C4')-(11 DC5 C3') 30.0 90.0" 967 1 967 81 c17887_2lib 1 176 "12 GUA GAMMA: (12 DG O5')-(12 DG C5')-(12 DG C4')-(12 DG C3') 30.0 90.0" 972 1 972 77 c17887_2lib 1 177 "13 THY GAMMA: (13 DT O5')-(13 DT C5')-(13 DT C4')-(13 DT C3') 30.0 90.0" 977 1 977 77 c17887_2lib 1 178 "14 CYT GAMMA: (14 DC O5')-(14 DC C5')-(14 DC C4')-(14 DC C3') 30.0 90.0" 982 1 982 77 c17887_2lib 1 179 "15 CYT GAMMA: (15 DC O5')-(15 DC C5')-(15 DC C4')-(15 DC C3') 30.0 90.0" 987 1 987 77 c17887_2lib 1 180 "16 THY GAMMA: (16 DT O5')-(16 DT C5')-(16 DT C4')-(16 DT C3') 30.0 90.0" 992 1 992 77 c17887_2lib 1 181 "17 GUA GAMMA: (17 DG O5')-(17 DG C5')-(17 DG C4')-(17 DG C3') 30.0 90.0" 997 1 997 77 c17887_2lib 1 182 "18 GUA GAMMA: (18 DG O5')-(18 DG C5')-(18 DG C4')-(18 DG C3') 30.0 90.0" 1002 1 1002 77 c17887_2lib 1 183 "19 ADE GAMMA: (19 DA O5')-(19 DA C5')-(19 DA C4')-(19 DA C3') 30.0 90.0" 1007 1 1007 77 c17887_2lib 1 184 "20 CYT GAMMA: (20 DC3 O5')-(20 DC3 C5')-(20 DC3 C4')-(20 DC3 C3') 30.0 90.0" 1012 1 1012 81 c17887_2lib 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 '95 constraints (0 torsion + 19 pseudorotation) converted to RST format.' 89 1 89 71 c17887_2lib 1 stop_ save_ save_AMBER_dipolar_coupling_6 _RDC_constraint_list.Sf_category RDC_constraints _RDC_constraint_list.Sf_framecode AMBER_dipolar_coupling_6 _RDC_constraint_list.Entry_ID c17887_2lib _RDC_constraint_list.ID 1 _RDC_constraint_list.Details 'Generated by Wattos' _RDC_constraint_list.Constraint_file_ID 1 _RDC_constraint_list.Block_ID 6 loop_ _RDC_constraint_software.Software_ID _RDC_constraint_software.Software_label _RDC_constraint_software.Method_ID _RDC_constraint_software.Method_label _RDC_constraint_software.Entry_ID _RDC_constraint_software.RDC_constraint_list_ID . . . . c17887_2lib 1 stop_ loop_ _RDC_constraint.ID _RDC_constraint.Assembly_atom_ID_1 _RDC_constraint.Entity_assembly_ID_1 _RDC_constraint.Entity_ID_1 _RDC_constraint.Comp_index_ID_1 _RDC_constraint.Seq_ID_1 _RDC_constraint.Comp_ID_1 _RDC_constraint.Atom_ID_1 _RDC_constraint.Atom_type_1 _RDC_constraint.Atom_isotope_number_1 _RDC_constraint.Resonance_ID_1 _RDC_constraint.Assembly_atom_ID_2 _RDC_constraint.Entity_assembly_ID_2 _RDC_constraint.Entity_ID_2 _RDC_constraint.Comp_index_ID_2 _RDC_constraint.Seq_ID_2 _RDC_constraint.Comp_ID_2 _RDC_constraint.Atom_ID_2 _RDC_constraint.Atom_type_2 _RDC_constraint.Atom_isotope_number_2 _RDC_constraint.Resonance_ID_2 _RDC_constraint.RDC_val _RDC_constraint.RDC_lower_bound _RDC_constraint.RDC_upper_bound _RDC_constraint.RDC_val_err _RDC_constraint.RDC_val_scale_factor _RDC_constraint.RDC_bond_length _RDC_constraint.Source_experiment_ID _RDC_constraint.PDB_record_ID_1 _RDC_constraint.PDB_model_num_1 _RDC_constraint.PDB_strand_ID_1 _RDC_constraint.PDB_ins_code_1 _RDC_constraint.PDB_residue_no_1 _RDC_constraint.PDB_residue_name_1 _RDC_constraint.PDB_atom_name_1 _RDC_constraint.PDB_record_ID_2 _RDC_constraint.PDB_model_num_2 _RDC_constraint.PDB_strand_ID_2 _RDC_constraint.PDB_ins_code_2 _RDC_constraint.PDB_residue_no_2 _RDC_constraint.PDB_residue_name_2 _RDC_constraint.PDB_atom_name_2 _RDC_constraint.Auth_entity_assembly_ID_1 _RDC_constraint.Auth_asym_ID_1 _RDC_constraint.Auth_chain_ID_1 _RDC_constraint.Auth_seq_ID_1 _RDC_constraint.Auth_comp_ID_1 _RDC_constraint.Auth_atom_ID_1 _RDC_constraint.Auth_alt_ID_1 _RDC_constraint.Auth_atom_name_1 _RDC_constraint.Auth_entity_assembly_ID_2 _RDC_constraint.Auth_asym_ID_2 _RDC_constraint.Auth_chain_ID_2 _RDC_constraint.Auth_seq_ID_2 _RDC_constraint.Auth_comp_ID_2 _RDC_constraint.Auth_atom_ID_2 _RDC_constraint.Auth_alt_ID_2 _RDC_constraint.Auth_atom_name_2 _RDC_constraint.Entry_ID _RDC_constraint.RDC_constraint_list_ID 1 . 1 1 2 2 DT C1' C . . . 1 1 2 2 DT H1' H . . . 4.3 4.3 . . . . . . A . 2 DT H1' . . A . 2 DT C1' . 2lib_ambr001 . 2 THY H1' . . . 2lib_ambr001 . 2 THY C1' . . c17887_2lib 1 2 . 1 1 5 5 A3A C1' C . . . 1 1 5 5 A3A H1' H . . . 5.2 5.2 . . . . . . A . 5 A3A H1' . . A . 5 A3A C1' . 2lib_ambr001 . 5 ADE H1' . . . 2lib_ambr001 . 5 ADE C1' . . c17887_2lib 1 3 . 1 1 6 6 DG C1' C . . . 1 1 6 6 DG H1' H . . . 4.1 4.1 . . . . . . A . 6 DG H1' . . A . 6 DG C1' . 2lib_ambr001 . 6 GUA H1' . . . 2lib_ambr001 . 6 GUA C1' . . c17887_2lib 1 4 . 1 1 7 7 DG C1' C . . . 1 1 7 7 DG H1' H . . . 6.3 6.3 . . . . . . A . 7 DG H1' . . A . 7 DG C1' . 2lib_ambr001 . 7 GUA H1' . . . 2lib_ambr001 . 7 GUA C1' . . c17887_2lib 1 5 . 1 1 9 9 DC C1' C . . . 1 1 9 9 DC H1' H . . . 1.9 1.9 . . . . . . A . 9 DC H1' . . A . 9 DC C1' . 2lib_ambr001 . 9 CYT H1' . . . 2lib_ambr001 . 9 CYT C1' . . c17887_2lib 1 6 . 1 1 10 10 DG C1' C . . . 1 1 10 10 DG H1' H . . . 5.8 5.8 . . . . . . A . 10 DG H1' . . A . 10 DG C1' . 2lib_ambr001 . 10 GUA H1' . . . 2lib_ambr001 . 10 GUA C1' . . c17887_2lib 1 7 . 2 2 1 1 DC C1' C . . . 2 2 1 1 DC H1' H . . . -2.2 -2.2 . . . . . . B . 11 DC H1' . . B . 11 DC C1' . 2lib_ambr002 . 1 CYT H1' . . . 2lib_ambr002 . 1 CYT C1' . . c17887_2lib 1 8 . 2 2 2 2 DG C1' C . . . 2 2 2 2 DG H1' H . . . 9.8 9.8 . . . . . . B . 12 DG H1' . . B . 12 DG C1' . 2lib_ambr002 . 2 GUA H1' . . . 2lib_ambr002 . 2 GUA C1' . . c17887_2lib 1 9 . 2 2 3 3 DT C1' C . . . 2 2 3 3 DT H1' H . . . 0.3 0.3 . . . . . . B . 13 DT H1' . . B . 13 DT C1' . 2lib_ambr002 . 3 THY H1' . . . 2lib_ambr002 . 3 THY C1' . . c17887_2lib 1 10 . 2 2 6 6 DT C1' C . . . 2 2 6 6 DT H1' H . . . 0.6 0.6 . . . . . . B . 16 DT H1' . . B . 16 DT C1' . 2lib_ambr002 . 6 THY H1' . . . 2lib_ambr002 . 6 THY C1' . . c17887_2lib 1 11 . 2 2 7 7 DG C1' C . . . 2 2 7 7 DG H1' H . . . 9.0 9.0 . . . . . . B . 17 DG H1' . . B . 17 DG C1' . 2lib_ambr002 . 7 GUA H1' . . . 2lib_ambr002 . 7 GUA C1' . . c17887_2lib 1 12 . 2 2 8 8 DG C1' C . . . 2 2 8 8 DG H1' H . . . 2.5 2.5 . . . . . . B . 18 DG H1' . . B . 18 DG C1' . 2lib_ambr002 . 8 GUA H1' . . . 2lib_ambr002 . 8 GUA C1' . . c17887_2lib 1 13 . 1 1 3 3 DC C3' C . . . 1 1 3 3 DC H3' H . . . -0.6 -0.6 . . . . . . A . 3 DC H3' . . A . 3 DC C3' . 2lib_ambr001 . 3 CYT H3' . . . 2lib_ambr001 . 3 CYT C3' . . c17887_2lib 1 14 . 1 1 4 4 DC C3' C . . . 1 1 4 4 DC H3' H . . . 3.4 11.1 . . . . . . A . 4 DC H3' . . A . 4 DC C3' . 2lib_ambr001 . 4 CYT H3' . . . 2lib_ambr001 . 4 CYT C3' . . c17887_2lib 1 15 . 1 1 10 10 DG C3' C . . . 1 1 10 10 DG H3' H . . . 2.0 2.0 . . . . . . A . 10 DG H3' . . A . 10 DG C3' . 2lib_ambr001 . 10 GUA H3' . . . 2lib_ambr001 . 10 GUA C3' . . c17887_2lib 1 16 . 2 2 1 1 DC C3' C . . . 2 2 1 1 DC H3' H . . . -2.8 -2.8 . . . . . . B . 11 DC H3' . . B . 11 DC C3' . 2lib_ambr002 . 1 CYT H3' . . . 2lib_ambr002 . 1 CYT C3' . . c17887_2lib 1 17 . 2 2 2 2 DG C3' C . . . 2 2 2 2 DG H3' H . . . 0.5 0.5 . . . . . . B . 12 DG H3' . . B . 12 DG C3' . 2lib_ambr002 . 2 GUA H3' . . . 2lib_ambr002 . 2 GUA C3' . . c17887_2lib 1 18 . 2 2 5 5 DC C3' C . . . 2 2 5 5 DC H3' H . . . 7.5 7.5 . . . . . . B . 15 DC H3' . . B . 15 DC C3' . 2lib_ambr002 . 5 CYT H3' . . . 2lib_ambr002 . 5 CYT C3' . . c17887_2lib 1 19 . 2 2 6 6 DT C3' C . . . 2 2 6 6 DT H3' H . . . 14.1 14.1 . . . . . . B . 16 DT H3' . . B . 16 DT C3' . 2lib_ambr002 . 6 THY H3' . . . 2lib_ambr002 . 6 THY C3' . . c17887_2lib 1 20 . 2 2 8 8 DG C3' C . . . 2 2 8 8 DG H3' H . . . 7.5 7.5 . . . . . . B . 18 DG H3' . . B . 18 DG C3' . 2lib_ambr002 . 8 GUA H3' . . . 2lib_ambr002 . 8 GUA C3' . . c17887_2lib 1 21 . 2 2 9 9 DA C3' C . . . 2 2 9 9 DA H3' H . . . 4.6 4.6 . . . . . . B . 19 DA H3' . . B . 19 DA C3' . 2lib_ambr002 . 9 ADE H3' . . . 2lib_ambr002 . 9 ADE C3' . . c17887_2lib 1 22 . 2 2 10 10 DC C3' C . . . 2 2 10 10 DC H3' H . . . -1.7 -1.7 . . . . . . B . 20 DC H3' . . B . 20 DC C3' . 2lib_ambr002 . 10 CYT H3' . . . 2lib_ambr002 . 10 CYT C3' . . c17887_2lib 1 23 . 1 1 2 2 DT C6 C . . . 1 1 2 2 DT H6 H . . . 6.4 6.4 . . . . . . A . 2 DT H6 . . A . 2 DT C6 . 2lib_ambr001 . 2 THY H6 . . . 2lib_ambr001 . 2 THY C6 . . c17887_2lib 1 24 . 1 1 5 5 A3A C8A C . . . 1 1 5 5 A3A H8A H . . . 10.9 10.9 . . . . . . A . 5 A3A H8A . . A . 5 A3A C8A . 2lib_ambr001 . 5 ADE H8 . . . 2lib_ambr001 . 5 ADE C8 . . c17887_2lib 1 25 . 1 1 6 6 DG C8 C . . . 1 1 6 6 DG H8 H . . . 12.3 12.3 . . . . . . A . 6 DG H8 . . A . 6 DG C8 . 2lib_ambr001 . 6 GUA H8 . . . 2lib_ambr001 . 6 GUA C8 . . c17887_2lib 1 26 . 1 1 7 7 DG C8 C . . . 1 1 7 7 DG H8 H . . . 12.0 12.0 . . . . . . A . 7 DG H8 . . A . 7 DG C8 . 2lib_ambr001 . 7 GUA H8 . . . 2lib_ambr001 . 7 GUA C8 . . c17887_2lib 1 27 . 1 1 8 8 DA C8 C . . . 1 1 8 8 DA H8 H . . . 3.0 3.0 . . . . . . A . 8 DA H8 . . A . 8 DA C8 . 2lib_ambr001 . 8 ADE H8 . . . 2lib_ambr001 . 8 ADE C8 . . c17887_2lib 1 28 . 1 1 9 9 DC C6 C . . . 1 1 9 9 DC H6 H . . . -2.7 -2.7 . . . . . . A . 9 DC H6 . . A . 9 DC C6 . 2lib_ambr001 . 9 CYT H6 . . . 2lib_ambr001 . 9 CYT C6 . . c17887_2lib 1 29 . 1 1 10 10 DG C8 C . . . 1 1 10 10 DG H8 H . . . 0.6 0.6 . . . . . . A . 10 DG H8 . . A . 10 DG C8 . 2lib_ambr001 . 10 GUA H8 . . . 2lib_ambr001 . 10 GUA C8 . . c17887_2lib 1 30 . 2 2 1 1 DC C6 C . . . 2 2 1 1 DC H6 H . . . 1.9 1.9 . . . . . . B . 11 DC H6 . . B . 11 DC C6 . 2lib_ambr002 . 1 CYT H6 . . . 2lib_ambr002 . 1 CYT C6 . . c17887_2lib 1 31 . 2 2 2 2 DG C8 C . . . 2 2 2 2 DG H8 H . . . 8.8 8.8 . . . . . . B . 12 DG H8 . . B . 12 DG C8 . 2lib_ambr002 . 2 GUA H8 . . . 2lib_ambr002 . 2 GUA C8 . . c17887_2lib 1 32 . 2 2 3 3 DT C6 C . . . 2 2 3 3 DT H6 H . . . 1.7 1.7 . . . . . . B . 13 DT H6 . . B . 13 DT C6 . 2lib_ambr002 . 3 THY H6 . . . 2lib_ambr002 . 3 THY C6 . . c17887_2lib 1 33 . 2 2 5 5 DC C6 C . . . 2 2 5 5 DC H6 H . . . 10.6 10.6 . . . . . . B . 15 DC H6 . . B . 15 DC C6 . 2lib_ambr002 . 5 CYT H6 . . . 2lib_ambr002 . 5 CYT C6 . . c17887_2lib 1 34 . 2 2 6 6 DT C6 C . . . 2 2 6 6 DT H6 H . . . 12.4 12.4 . . . . . . B . 16 DT H6 . . B . 16 DT C6 . 2lib_ambr002 . 6 THY H6 . . . 2lib_ambr002 . 6 THY C6 . . c17887_2lib 1 35 . 2 2 7 7 DG C8 C . . . 2 2 7 7 DG H8 H . . . 7.8 7.8 . . . . . . B . 17 DG H8 . . B . 17 DG C8 . 2lib_ambr002 . 7 GUA H8 . . . 2lib_ambr002 . 7 GUA C8 . . c17887_2lib 1 36 . 2 2 8 8 DG C8 C . . . 2 2 8 8 DG H8 H . . . 3.6 3.6 . . . . . . B . 18 DG H8 . . B . 18 DG C8 . 2lib_ambr002 . 8 GUA H8 . . . 2lib_ambr002 . 8 GUA C8 . . c17887_2lib 1 37 . 2 2 9 9 DA C8 C . . . 2 2 9 9 DA H8 H . . . 3.2 3.2 . . . . . . B . 19 DA H8 . . B . 19 DA C8 . 2lib_ambr002 . 9 ADE H8 . . . 2lib_ambr002 . 9 ADE C8 . . c17887_2lib 1 38 . 2 2 10 10 DC C6 C . . . 2 2 10 10 DC H6 H . . . 6.5 6.5 . . . . . . B . 20 DC H6 . . B . 20 DC C6 . 2lib_ambr002 . 10 CYT H6 . . . 2lib_ambr002 . 10 CYT C6 . . c17887_2lib 1 39 . 1 1 5 5 A3A C2A C . . . 1 1 5 5 A3A H2A H . . . 6.2 6.2 . . . . . . A . 5 A3A H2A . . A . 5 A3A C2A . 2lib_ambr001 . 5 ADE H2 . . . 2lib_ambr001 . 5 ADE C2 . . c17887_2lib 1 40 . 1 1 8 8 DA C2 C . . . 1 1 8 8 DA H2 H . . . 10.9 10.9 . . . . . . A . 8 DA H2 . . A . 8 DA C2 . 2lib_ambr001 . 8 ADE H2 . . . 2lib_ambr001 . 8 ADE C2 . . c17887_2lib 1 41 . 2 2 9 9 DA C2 C . . . 2 2 9 9 DA H2 H . . . 5.2 5.2 . . . . . . B . 19 DA H2 . . B . 19 DA C2 . 2lib_ambr002 . 9 ADE H2 . . . 2lib_ambr002 . 9 ADE C2 . . c17887_2lib 1 42 . 1 1 4 4 DC C5 C . . . 1 1 4 4 DC H5 H . . . 8.4 8.4 . . . . . . A . 4 DC C5 . . A . 4 DC H5 . 2lib_ambr001 . 4 CYT C5 . . . 2lib_ambr001 . 4 CYT H5 . . c17887_2lib 1 43 . 1 1 9 9 DC C5 C . . . 1 1 9 9 DC H5 H . . . 6.9 6.9 . . . . . . A . 9 DC H5 . . A . 9 DC C5 . 2lib_ambr001 . 9 CYT H5 . . . 2lib_ambr001 . 9 CYT C5 . . c17887_2lib 1 44 . 2 2 1 1 DC C5 C . . . 2 2 1 1 DC H5 H . . . -0.1 -0.1 . . . . . . B . 11 DC C5 . . B . 11 DC H5 . 2lib_ambr002 . 1 CYT C5 . . . 2lib_ambr002 . 1 CYT H5 . . c17887_2lib 1 45 . 2 2 5 5 DC C5 C . . . 2 2 5 5 DC H5 H . . . 4.8 4.8 . . . . . . B . 15 DC H5 . . B . 15 DC C5 . 2lib_ambr002 . 5 CYT H5 . . . 2lib_ambr002 . 5 CYT C5 . . c17887_2lib 1 46 . 2 2 10 10 DC C5 C . . . 2 2 10 10 DC H5 H . . . 4.3 4.3 . . . . . . B . 20 DC H5 . . B . 20 DC C5 . 2lib_ambr002 . 10 CYT H5 . . . 2lib_ambr002 . 10 CYT C5 . . c17887_2lib 1 stop_ loop_ _RDC_constraint_parse_err.ID _RDC_constraint_parse_err.Content _RDC_constraint_parse_err.Begin_line _RDC_constraint_parse_err.Begin_column _RDC_constraint_parse_err.End_line _RDC_constraint_parse_err.End_column _RDC_constraint_parse_err.Entry_ID _RDC_constraint_parse_err.RDC_constraint_list_ID 1 '&align ndip=46, dcut=1.0, freezemol=True, s11=-5.336, s22=-0.075, s12=17.232, s13=8.403, s23=34.885,' 1 2 3 61 c17887_2lib 1 2 '(1)= 7.84665, dij(1)= 1.09, dwt(1)=1.00000,' 4 61 4 103 c17887_2lib 1 3 '(2)= 7.84665, dij(2)= 1.09, dwt(2)=1.00000,' 5 63 5 105 c17887_2lib 1 4 '(3)= 7.84665, dij(3)= 1.09, dwt(3)=1.00000,' 6 63 6 105 c17887_2lib 1 5 '(4)= 7.84665, dij(4)= 1.09, dwt(4)=1.00000,' 7 63 7 105 c17887_2lib 1 6 '(5)= 7.84665, dij(5)= 1.09, dwt(5)=1.00000,' 8 63 8 105 c17887_2lib 1 7 '(6)= 7.84665, dij(6)= 1.09, dwt(6)=1.00000,' 9 63 9 105 c17887_2lib 1 8 '(7)= 7.84665, dij(7)= 1.09, dwt(7)=1.00000,' 10 65 10 107 c17887_2lib 1 9 '(8)= 7.84665, dij(8)= 1.09, dwt(8)=1.00000,' 11 63 11 105 c17887_2lib 1 10 '(9)= 7.84665, dij(9)= 1.09, dwt(9)=1.00000,' 12 63 12 105 c17887_2lib 1 11 '(10)= 7.84665, dij(10)= 1.09, dwt(10)=1.00000,' 13 67 13 112 c17887_2lib 1 12 '(11)= 7.84665, dij(11)= 1.09, dwt(11)=1.00000,' 14 67 14 112 c17887_2lib 1 13 '(12)= 7.84665, dij(12)= 1.09, dwt(12)=1.00000,' 15 67 15 112 c17887_2lib 1 14 '(13)= 7.84665, dij(13)= 1.09, dwt(13)=1.00000,' 16 67 16 112 c17887_2lib 1 15 '(14)= 7.84665, dij(14)= 1.09, dwt(14)=1.00000,' 17 68 17 113 c17887_2lib 1 16 '(15)= 7.84665, dij(15)= 1.09, dwt(15)=1.00000,' 18 67 18 112 c17887_2lib 1 17 '(16)= 7.84665, dij(16)= 1.09, dwt(16)=1.00000,' 19 69 19 114 c17887_2lib 1 18 '(17)= 7.84665, dij(17)= 1.09, dwt(17)=1.00000,' 20 67 20 112 c17887_2lib 1 19 '(18)= 7.84665, dij(18)= 1.09, dwt(18)=1.00000,' 21 67 21 112 c17887_2lib 1 20 '(19)= 7.84665, dij(19)= 1.09, dwt(19)=1.00000,' 22 69 22 114 c17887_2lib 1 21 '(20)= 7.84665, dij(20)= 1.09, dwt(20)=1.00000,' 23 67 23 112 c17887_2lib 1 22 '(21)= 7.84665, dij(21)= 1.09, dwt(21)=1.00000,' 24 67 24 112 c17887_2lib 1 23 '(22)= 7.84665, dij(22)= 1.09, dwt(22)=1.00000,' 25 69 25 114 c17887_2lib 1 24 '(23)= 7.84665, dij(23)= 1.09, dwt(23)=1.00000,' 26 66 26 111 c17887_2lib 1 25 '(24)= 7.84665, dij(24)= 1.09, dwt(24)=1.00000,' 27 69 27 114 c17887_2lib 1 26 '(25)= 7.84665, dij(25)= 1.09, dwt(25)=1.00000,' 28 69 28 114 c17887_2lib 1 27 '(26)= 7.84665, dij(26)= 1.09, dwt(26)=1.00000,' 29 69 29 114 c17887_2lib 1 28 '(27)= 7.84665, dij(27)= 1.09, dwt(27)=1.00000,' 30 67 30 112 c17887_2lib 1 29 '(28)= 7.84665, dij(28)= 1.09, dwt(28)=1.00000,' 31 69 31 114 c17887_2lib 1 30 '(29)= 7.84665, dij(29)= 1.09, dwt(29)=1.00000,' 32 67 32 112 c17887_2lib 1 31 '(30)= 7.84665, dij(30)= 1.09, dwt(30)=1.00000,' 33 67 33 112 c17887_2lib 1 32 '(31)= 7.84665, dij(31)= 1.09, dwt(31)=1.00000,' 34 67 34 112 c17887_2lib 1 33 '(32)= 7.84665, dij(32)= 1.09, dwt(32)=1.00000,' 35 67 35 112 c17887_2lib 1 34 '(33)= 7.84665, dij(33)= 1.09, dwt(33)=1.00000,' 36 69 36 114 c17887_2lib 1 35 '(34)= 7.84665, dij(34)= 1.09, dwt(34)=1.00000,' 37 69 37 114 c17887_2lib 1 36 '(35)= 7.84665, dij(35)= 1.09, dwt(35)=1.00000,' 38 67 38 112 c17887_2lib 1 37 '(36)= 7.84665, dij(36)= 1.09, dwt(36)=1.00000,' 39 67 39 112 c17887_2lib 1 38 '(37)= 7.84665, dij(37)= 1.09, dwt(37)=1.00000,' 40 68 40 113 c17887_2lib 1 39 '(38)= 7.84665, dij(38)= 1.09, dwt(38)=1.00000,' 41 67 41 112 c17887_2lib 1 40 '(39)= 7.84665, dij(39)= 1.09, dwt(39)=1.00000,' 42 67 42 112 c17887_2lib 1 41 '(40)= 7.84665, dij(40)= 1.09, dwt(40)=1.00000,' 43 69 43 114 c17887_2lib 1 42 '(41)= 7.84665, dij(41)= 1.09, dwt(41)=1.00000,' 44 67 44 112 c17887_2lib 1 43 '(42)= 7.84665, dij(42)= 1.09, dwt(42)=1.00000,' 45 67 45 112 c17887_2lib 1 44 '(43)= 7.84665, dij(43)= 1.09, dwt(43)=1.00000,' 46 67 46 112 c17887_2lib 1 45 '(44)= 7.84665, dij(44)= 1.09, dwt(44)=1.00000,' 47 69 47 114 c17887_2lib 1 46 '(45)= 7.84665, dij(45)= 1.09, dwt(45)=1.00000,' 48 67 48 112 c17887_2lib 1 47 '(46)= 7.84665, dij(46)= 1.09, dwt(46)=1.00000, /' 49 67 51 4 c17887_2lib 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 c17887_2lib _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 27-AUG-11 2LIB *TITLE DNA SEQUENCE CONTEXT CONCEALS ALPHA ANOMERIC LESION *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: DNA (5'-D(*GP*TP*CP*CP*(A3A)P*GP*GP*AP*CP*G)-3'); *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES; *COMPND 5 MOL_ID: 2; *COMPND 6 MOLECULE: DNA (5'-D(*CP*GP*TP*CP*CP*TP*GP*GP*AP*C)-3'); *COMPND 7 CHAIN: B; *COMPND 8 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 MOL_ID: 2; *SOURCE 4 SYNTHETIC: YES *KEYWDS ALPHA ANOMERIC ADENOSINE, DNA DAMAGE, FLANKING SEQUENCE EFFECTS, *KEYWDS 2 STRUCTURAL PERTURBATION, STRUCTURAL DISTORTION, MINOR GROOVE *KEYWDS 3 DISTORTION, ENDONUCLEASE IV, ENZYME RECOGNITION, HELICAL AXIS KINK, *KEYWDS 4 ENZYME MODULATION, DNA REPAIR, DNA PERTURBATION, DNA *EXPDTA SOLUTION NMR *NUMMDL 1 *AUTHOR C.N.JOHNSON, A.M.SPRING, R.P.CUNNINGHAM, M.W.GERMANN *REVDAT 1 08-AUG-12 2LIB 0" save_