data_c17885_2lia ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c17885_2lia _Entry.Title ; Solution NMR structure of a DNA dodecamer containing the 7-aminomethyl-7-deaza-2'-deoxyguanosine adduct ; _Entry.Version_type original _Entry.Submission_date 2011-08-26 _Entry.Accession_date 2011-08-26 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.31 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Marta Szulik . W. . c17885_2lia 2 Manjori Ganguly . . . c17885_2lia 3 Ruo-Wen Wang . . . c17885_2lia 4 Barry Gold . . . c17885_2lia 5 Michael Stone . P. . c17885_2lia 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' . c17885_2lia stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DNA . c17885_2lia stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c17885_2lia stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 73 c17885_2lia stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-08-27 2011-08-26 original author . c17885_2lia stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID c17885_2lia _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title "Enthalpic Stabilization Of DNA By a Cationic 7-Aminomethyl-7-Deaza-2'-Deoxyguanosine Adduct" _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Marta Szulik . W. . c17885_2lia 1 2 Manjori Ganguly . . . c17885_2lia 1 3 Ruo-Wen Wang . . . c17885_2lia 1 4 Barry Gold . . . c17885_2lia 1 5 Michael Stone . P. . c17885_2lia 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c17885_2lia _Assembly.ID 1 _Assembly.Name DNA_dodecamer _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 "DNA (5'-D(P*AP*GP*AP*CP*GP*CP*TP*CP*TP*C)-3')" 1 $DNA_dodecamer A . yes native no no . . . c17885_2lia 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DNA_dodecamer _Entity.Sf_category entity _Entity.Sf_framecode DNA_dodecamer _Entity.Entry_ID c17885_2lia _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DNA_dodecamer _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID 'A and B' _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code GAGAXCGCTCTC _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details selfcomplementary _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 12 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3005.005 _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 . c17885_2lia 1 2 . DA . c17885_2lia 1 3 . DG . c17885_2lia 1 4 . DA . c17885_2lia 1 5 . 2LA . c17885_2lia 1 6 . DC . c17885_2lia 1 7 . DG . c17885_2lia 1 8 . DC . c17885_2lia 1 9 . DT . c17885_2lia 1 10 . DC . c17885_2lia 1 11 . DT . c17885_2lia 1 12 . DC . c17885_2lia 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 c17885_2lia 1 . DA 2 2 c17885_2lia 1 . DG 3 3 c17885_2lia 1 . DA 4 4 c17885_2lia 1 . 2LA 5 5 c17885_2lia 1 . DC 6 6 c17885_2lia 1 . DG 7 7 c17885_2lia 1 . DC 8 8 c17885_2lia 1 . DT 9 9 c17885_2lia 1 . DC 10 10 c17885_2lia 1 . DT 11 11 c17885_2lia 1 . DC 12 12 c17885_2lia 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID c17885_2lia _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_dodecamer . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . c17885_2lia 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 c17885_2lia _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_dodecamer . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c17885_2lia 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_2LA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_2LA _Chem_comp.Entry_ID c17885_2lia _Chem_comp.ID 2LA _Chem_comp.Provenance . _Chem_comp.Name 2-amino-5-(aminomethyl)-7-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one _Chem_comp.Type 'DNA LINKING' _Chem_comp.BMRB_code . _Chem_comp.PDB_code 2LA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2011-09-07 _Chem_comp.Modified_date 2011-09-09 _Chem_comp.Release_status HOLD _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code 2LA _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 . _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 'C12 H18 N5 O7 P' _Chem_comp.Formula_weight 375.274 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2LIA _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 Wed Sep 14 15:34:03 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(n2c1N=C(N)NC(=O)c1c(c2)CN)CC3O SMILES ACDLabs 12.01 c17885_2lia 2LA InChI=1S/C12H18N5O7P/c13-2-5-3-17(10-9(5)11(19)16-12(14)15-10)8-1-6(18)7(24-8)4-23-25(20,21)22/h3,6-8,18H,1-2,4,13H2,(H2,20,21,22)(H3,14,15,16,19)/t6-,7+,8+/m0/s1 InChI InChI 1.03 c17885_2lia 2LA XWOYGAPHZUWPLY-XLPZGREQSA-N InChIKey InChI 1.03 c17885_2lia 2LA NCc1cn([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)c3N=C(N)NC(=O)c13 SMILES_CANONICAL CACTVS 3.370 c17885_2lia 2LA NCc1cn([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)c3N=C(N)NC(=O)c13 SMILES CACTVS 3.370 c17885_2lia 2LA c1c(c2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N)CN SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.2 c17885_2lia 2LA c1c(c2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=C(NC2=O)N)CN SMILES 'OpenEye OEToolkits' 1.7.2 c17885_2lia 2LA 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-amino-5-(aminomethyl)-7-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one 'SYSTEMATIC NAME' ACDLabs 12.01 c17885_2lia 2LA '[(2R,3S,5R)-5-[5-(aminomethyl)-2-azanyl-4-oxidanylidene-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.2 c17885_2lia 2LA 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 P . P . . P . . N 0 . . . . no no . . . . 5.425 . 0.049 . 28.927 . 5.225 -0.745 -0.479 1 . c17885_2lia 2LA N1 . N1 . . N . . N 0 . . . . no no . . . . -2.123 . 1.080 . 23.061 . -5.421 0.288 -0.570 2 . c17885_2lia 2LA C2 . C2 . . C . . N 0 . . . . no no . . . . -2.423 . 0.102 . 23.928 . -4.700 1.377 -0.960 3 . c17885_2lia 2LA N2 . N2 . . N . . N 0 . . . . no no . . . . -3.578 . -0.490 . 23.775 . -5.357 2.439 -1.530 4 . c17885_2lia 2LA N3 . N3 . . N . . N 0 . . . . no no . . . . -1.624 . -0.374 . 24.857 . -3.397 1.443 -0.808 5 . c17885_2lia 2LA C4 . C4 . . C . . N 0 . . . . yes no . . . . -0.415 . 0.211 . 24.818 . -2.710 0.432 -0.257 6 . c17885_2lia 2LA C5 . C5 . . C . . N 0 . . . . yes no . . . . 0.011 . 1.180 . 23.950 . -3.399 -0.714 0.163 7 . c17885_2lia 2LA C6 . C6 . . C . . N 0 . . . . no no . . . . -0.912 . 1.685 . 22.986 . -4.800 -0.773 -0.006 8 . c17885_2lia 2LA O6 . O6 . . O . . N 0 . . . . no no . . . . -0.749 . 2.570 . 22.155 . -5.432 -1.753 0.348 9 . c17885_2lia 2LA C7 . C7 . . C . . N 0 . . . . yes no . . . . 1.369 . 1.552 . 24.139 . -2.392 -1.621 0.711 10 . c17885_2lia 2LA C8 . C8 . . C . . N 0 . . . . yes no . . . . 1.698 . 0.688 . 25.169 . -1.208 -0.999 0.596 11 . c17885_2lia 2LA N9 . N9 . . N . . N 0 . . . . yes no . . . . 0.666 . -0.099 . 25.607 . -1.388 0.232 0.017 12 . c17885_2lia 2LA C1' . C1' . . C . . R 0 . . . . no no . . . . 0.691 . -1.113 . 26.675 . -0.318 1.191 -0.267 13 . c17885_2lia 2LA C10 . C10 . . C . . N 0 . . . . no no . . . . 2.402 . 2.448 . 23.477 . -2.636 -2.990 1.294 14 . c17885_2lia 2LA N11 . N11 . . N . . N 0 . . . . no no . . . . 1.816 . 3.576 . 22.704 . -2.780 -3.966 0.206 15 . c17885_2lia 2LA OP1 . OP1 . . O . . N 0 . . . . no no . . . . 5.968 . -0.708 . 30.076 . 5.000 -1.926 0.386 16 . c17885_2lia 2LA C2' . C2' . . C . . N 0 . . . . no no . . . . 1.531 . -2.314 . 26.265 . -0.201 2.204 0.889 17 . c17885_2lia 2LA OP2 . OP2 . . O . . N 0 . . . . no no . . . . 6.327 . 0.338 . 27.782 . 5.641 -1.233 -1.955 18 . c17885_2lia 2LA C3' . C3' . . C . . S 0 . . . . no no . . . . 2.119 . -2.823 . 27.586 . 1.257 2.046 1.386 19 . c17885_2lia 2LA O3' . O3' . . O . . N 0 . . . . no no . . . . 1.432 . -3.969 . 28.094 . 1.834 3.319 1.683 20 . c17885_2lia 2LA C4' . C4' . . C . . R 0 . . . . no no . . . . 1.869 . -1.651 . 28.555 . 1.949 1.397 0.160 21 . c17885_2lia 2LA O4' . O4' . . O . . N 0 . . . . no no . . . . 1.265 . -0.578 . 27.856 . 0.941 0.505 -0.362 22 . c17885_2lia 2LA C5' . C5' . . C . . N 0 . . . . no no . . . . 3.115 . -1.154 . 29.259 . 3.190 0.614 0.594 23 . c17885_2lia 2LA O5' . O5' . . O . . N 0 . . . . no no . . . . 4.105 . -0.690 . 28.374 . 3.872 0.124 -0.562 24 . c17885_2lia 2LA H1N1 . H1N1 . . H . . N 0 . . . . no no . . . . -2.838 . 1.382 . 22.430 . -6.383 0.275 -0.694 25 . c17885_2lia 2LA H8 . H8 . . H . . N 0 . . . . no no . . . . 2.690 . 0.638 . 25.594 . -0.258 -1.405 0.911 26 . c17885_2lia 2LA H10 . H10 . . H . . N 0 . . . . no no . . . . 3.040 . 2.872 . 24.266 . -1.794 -3.271 1.926 27 . c17885_2lia 2LA H10A . H10A . . H . . N 0 . . . . no no . . . . 2.993 . 1.831 . 22.784 . -3.549 -2.973 1.890 28 . c17885_2lia 2LA H1' . H1' . . H . . N 0 . . . . no no . . . . -0.350 . -1.419 . 26.854 . -0.528 1.716 -1.199 29 . c17885_2lia 2LA HN11 . HN11 . . H . . N 0 . . . . no no . . . . 2.551 . 4.120 . 22.299 . -1.973 -3.954 -0.400 30 . c17885_2lia 2LA HN1A . HN1A . . H . . N 0 . . . . no no . . . . 1.230 . 3.214 . 21.979 . -2.944 -4.892 0.571 31 . c17885_2lia 2LA H12' . H12' . . H . . N 0 . . . . no no . . . . 0.916 . -3.085 . 25.777 . -0.373 3.217 0.527 32 . c17885_2lia 2LA H22' . H22' . . H . . N 0 . . . . no no . . . . 2.324 . -2.026 . 25.559 . -0.904 1.957 1.685 33 . c17885_2lia 2LA HN2 . HN2 . . H . . N 0 . . . . no no . . . . -3.821 . -1.270 . 24.352 . -6.319 2.407 -1.649 34 . c17885_2lia 2LA HN2A . HN2A . . H . . N 0 . . . . no no . . . . -4.219 . -0.163 . 23.081 . -4.859 3.222 -1.813 35 . c17885_2lia 2LA H3' . H3' . . H . . N 0 . . . . no no . . . . 3.170 . -3.121 . 27.461 . 1.303 1.388 2.253 36 . c17885_2lia 2LA H4' . H4' . . H . . N 0 . . . . no no . . . . 1.203 . -2.039 . 29.340 . 2.211 2.155 -0.578 37 . c17885_2lia 2LA H15' . H15' . . H . . N 0 . . . . no no . . . . 2.828 . -0.323 . 29.921 . 3.854 1.269 1.159 38 . c17885_2lia 2LA H25' . H25' . . H . . N 0 . . . . no no . . . . 3.537 . -1.987 . 29.841 . 2.888 -0.226 1.221 39 . c17885_2lia 2LA OP3 . OP3 . . O . . N 0 . . . . no yes . . . . 5.264 . 1.608 . 29.636 . 6.406 0.156 0.141 40 . c17885_2lia 2LA HOP2 . HOP2 . . H . . N 0 . . . . no no . . . . 7.187 . -0.027 . 27.956 . 6.449 -1.764 -1.981 41 . c17885_2lia 2LA HO3' . HO3' . . H . . N 0 . . . . no yes . . . . 1.834 . -4.244 . 28.910 . 1.378 3.803 2.385 42 . c17885_2lia 2LA HOP3 . HOP3 . . H . . N 0 . . . . no no . . . . 5.553 . 1.576 . 30.540 . 6.608 0.949 -0.375 43 . c17885_2lia 2LA 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 . DOUB P OP1 no N 1 . c17885_2lia 2LA 2 . SING P OP2 no N 2 . c17885_2lia 2LA 3 . SING P O5' no N 3 . c17885_2lia 2LA 4 . SING N1 C2 no N 4 . c17885_2lia 2LA 5 . SING N1 C6 no N 5 . c17885_2lia 2LA 6 . SING N1 H1N1 no N 6 . c17885_2lia 2LA 7 . SING C2 N2 no N 7 . c17885_2lia 2LA 8 . DOUB C2 N3 no N 8 . c17885_2lia 2LA 9 . SING N2 HN2 no N 9 . c17885_2lia 2LA 10 . SING N2 HN2A no N 10 . c17885_2lia 2LA 11 . SING N3 C4 no N 11 . c17885_2lia 2LA 12 . DOUB C4 C5 yes N 12 . c17885_2lia 2LA 13 . SING C4 N9 yes N 13 . c17885_2lia 2LA 14 . SING C5 C6 no N 14 . c17885_2lia 2LA 15 . SING C5 C7 yes N 15 . c17885_2lia 2LA 16 . DOUB C6 O6 no N 16 . c17885_2lia 2LA 17 . DOUB C7 C8 yes N 17 . c17885_2lia 2LA 18 . SING C7 C10 no N 18 . c17885_2lia 2LA 19 . SING C8 N9 yes N 19 . c17885_2lia 2LA 20 . SING C8 H8 no N 20 . c17885_2lia 2LA 21 . SING N9 C1' no N 21 . c17885_2lia 2LA 22 . SING C1' C2' no N 22 . c17885_2lia 2LA 23 . SING C1' O4' no N 23 . c17885_2lia 2LA 24 . SING C1' H1' no N 24 . c17885_2lia 2LA 25 . SING C10 N11 no N 25 . c17885_2lia 2LA 26 . SING C10 H10 no N 26 . c17885_2lia 2LA 27 . SING C10 H10A no N 27 . c17885_2lia 2LA 28 . SING N11 HN11 no N 28 . c17885_2lia 2LA 29 . SING N11 HN1A no N 29 . c17885_2lia 2LA 30 . SING C2' C3' no N 30 . c17885_2lia 2LA 31 . SING C2' H12' no N 31 . c17885_2lia 2LA 32 . SING C2' H22' no N 32 . c17885_2lia 2LA 33 . SING C3' O3' no N 33 . c17885_2lia 2LA 34 . SING C3' C4' no N 34 . c17885_2lia 2LA 35 . SING C3' H3' no N 35 . c17885_2lia 2LA 36 . SING C4' O4' no N 36 . c17885_2lia 2LA 37 . SING C4' C5' no N 37 . c17885_2lia 2LA 38 . SING C4' H4' no N 38 . c17885_2lia 2LA 39 . SING C5' O5' no N 39 . c17885_2lia 2LA 40 . SING C5' H15' no N 40 . c17885_2lia 2LA 41 . SING C5' H25' no N 41 . c17885_2lia 2LA 42 . SING P OP3 no N 42 . c17885_2lia 2LA 43 . SING OP2 HOP2 no N 43 . c17885_2lia 2LA 44 . SING O3' HO3' no N 44 . c17885_2lia 2LA 45 . SING OP3 HOP3 no N 45 . c17885_2lia 2LA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_7amG_sample _Sample.Sf_category sample _Sample.Sf_framecode 7amG_sample _Sample.Entry_ID c17885_2lia _Sample.ID 1 _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 dodecamer' [U-2H] . . 1 $DNA_dodecamer . . 0.25 . . mM . . . . c17885_2lia 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . c17885_2lia 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . c17885_2lia 1 4 'sodium azide' 'natural abundance' . . . . . . 0.011 . . M . . . . c17885_2lia 1 5 'sodium EDTA' 'natural abundance' . . . . . . 0.05 . . mM . . . . c17885_2lia 1 stop_ save_ ####################### # Sample conditions # ####################### save_7amG_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 7amG_sample_conditions _Sample_condition_list.Entry_ID c17885_2lia _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID temperature 273 . K c17885_2lia 1 pH 7 . pH c17885_2lia 1 pressure 1 . atm c17885_2lia 1 'ionic strength' 0.21 . M c17885_2lia 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID c17885_2lia _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.0.b.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . c17885_2lia 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing c17885_2lia 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID c17885_2lia _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . c17885_2lia 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' c17885_2lia 2 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID c17885_2lia _Software.ID 3 _Software.Name AMBER _Software.Version 10 _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' . . c17885_2lia 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement c17885_2lia 3 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 c17885_2lia _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 c17885_2lia _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 . 800 . . . c17885_2lia 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 c17885_2lia _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.X_ray_instrument_ID _Experiment.X_ray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $7amG_sample isotropic . . 1 $7amG_sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c17885_2lia 1 2 '2D 1H-1H COSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $7amG_sample isotropic . . 1 $7amG_sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c17885_2lia 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID c17885_2lia _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 c17885_2lia _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . . . . . c17885_2lia 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 c17885_2lia _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $7amG_sample_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . c17885_2lia 1 2 '2D 1H-1H COSY' . . . c17885_2lia 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 5.495 . . . . . . A 1 DG H1' . c17885_2lia 1 2 . 1 1 1 1 DG H2' H 1 2.389 . . . . . . A 1 DG H2' . c17885_2lia 1 3 . 1 1 1 1 DG H2'' H 1 2.588 . . 2 . . . A 1 DG H2'' . c17885_2lia 1 4 . 1 1 1 1 DG H3' H 1 4.765 . . . . . . A 1 DG H3' . c17885_2lia 1 5 . 1 1 1 1 DG H8 H 1 7.802 . . 1 . . . A 1 DG H8 . c17885_2lia 1 6 . 1 1 2 2 DA H1' H 1 5.894 . . . . . . A 2 DA H1' . c17885_2lia 1 7 . 1 1 2 2 DA H2 H 1 7.707 . . 1 . . . A 2 DA H2 . c17885_2lia 1 8 . 1 1 2 2 DA H2' H 1 2.699 . . . . . . A 2 DA H2' . c17885_2lia 1 9 . 1 1 2 2 DA H2'' H 1 2.833 . . 2 . . . A 2 DA H2'' . c17885_2lia 1 10 . 1 1 2 2 DA H3' H 1 4.981 . . . . . . A 2 DA H3' . c17885_2lia 1 11 . 1 1 2 2 DA H8 H 1 8.127 . . 1 . . . A 2 DA H8 . c17885_2lia 1 12 . 1 1 3 3 DG H1' H 1 5.450 . . . . . . A 3 DG H1' . c17885_2lia 1 13 . 1 1 3 3 DG H2' H 1 2.521 . . . . . . A 3 DG H2' . c17885_2lia 1 14 . 1 1 3 3 DG H2'' H 1 2.640 . . 2 . . . A 3 DG H2'' . c17885_2lia 1 15 . 1 1 3 3 DG H3' H 1 4.943 . . . . . . A 3 DG H3' . c17885_2lia 1 16 . 1 1 3 3 DG H8 H 1 7.641 . . 1 . . . A 3 DG H8 . c17885_2lia 1 17 . 1 1 4 4 DA H1' H 1 6.143 . . . . . . A 4 DA H1' . c17885_2lia 1 18 . 1 1 4 4 DA H2 H 1 7.726 . . 1 . . . A 4 DA H2 . c17885_2lia 1 19 . 1 1 4 4 DA H2' H 1 2.726 . . . . . . A 4 DA H2' . c17885_2lia 1 20 . 1 1 4 4 DA H2'' H 1 2.669 . . 2 . . . A 4 DA H2'' . c17885_2lia 1 21 . 1 1 4 4 DA H3' H 1 4.964 . . . . . . A 4 DA H3' . c17885_2lia 1 22 . 1 1 4 4 DA H5' H 1 4.400 . . . . . . A 4 DA H5' . c17885_2lia 1 23 . 1 1 4 4 DA H8 H 1 8.019 . . 1 . . . A 4 DA H8 . c17885_2lia 1 24 . 1 1 5 5 2LA H1' H 1 5.492 . . . . . . A 5 2LA H1' . c17885_2lia 1 25 . 1 1 5 5 2LA H10 H 1 3.638 . . . . . . A 5 2LA H10 . c17885_2lia 1 26 . 1 1 5 5 2LA H10A H 1 3.467 . . . . . . A 5 2LA H10A . c17885_2lia 1 27 . 1 1 5 5 2LA H2' H 1 2.229 . . . . . . A 5 2LA H2' . c17885_2lia 1 28 . 1 1 5 5 2LA H2'' H 1 2.214 . . . . . . A 5 2LA H2'' . c17885_2lia 1 29 . 1 1 5 5 2LA H3' H 1 4.822 . . . . . . A 5 2LA H3' . c17885_2lia 1 30 . 1 1 5 5 2LA H8 H 1 6.507 . . . . . . A 5 2LA H8 . c17885_2lia 1 31 . 1 1 6 6 DC H1' H 1 5.781 . . . . . . A 6 DC H1' . c17885_2lia 1 32 . 1 1 6 6 DC H2' H 1 1.856 . . . . . . A 6 DC H2' . c17885_2lia 1 33 . 1 1 6 6 DC H2'' H 1 2.363 . . 2 . . . A 6 DC H2'' . c17885_2lia 1 34 . 1 1 6 6 DC H3' H 1 4.771 . . . . . . A 6 DC H3' . c17885_2lia 1 35 . 1 1 6 6 DC H5 H 1 5.149 . . 1 . . . A 6 DC H5 . c17885_2lia 1 36 . 1 1 6 6 DC H6 H 1 7.255 . . 1 . . . A 6 DC H6 . c17885_2lia 1 37 . 1 1 7 7 DG H1' H 1 5.863 . . . . . . A 7 DG H1' . c17885_2lia 1 38 . 1 1 7 7 DG H2' H 1 2.595 . . . . . . A 7 DG H2' . c17885_2lia 1 39 . 1 1 7 7 DG H2'' H 1 2.671 . . 2 . . . A 7 DG H2'' . c17885_2lia 1 40 . 1 1 7 7 DG H3' H 1 4.914 . . . . . . A 7 DG H3' . c17885_2lia 1 41 . 1 1 7 7 DG H8 H 1 7.797 . . 1 . . . A 7 DG H8 . c17885_2lia 1 42 . 1 1 8 8 DC H1' H 1 5.839 . . . . . . A 8 DC H1' . c17885_2lia 1 43 . 1 1 8 8 DC H2' H 1 1.995 . . . . . . A 8 DC H2' . c17885_2lia 1 44 . 1 1 8 8 DC H2'' H 1 2.464 . . 2 . . . A 8 DC H2'' . c17885_2lia 1 45 . 1 1 8 8 DC H3' H 1 4.649 . . . . . . A 8 DC H3' . c17885_2lia 1 46 . 1 1 8 8 DC H5 H 1 5.341 . . 1 . . . A 8 DC H5 . c17885_2lia 1 47 . 1 1 8 8 DC H6 H 1 7.347 . . 1 . . . A 8 DC H6 . c17885_2lia 1 48 . 1 1 9 9 DT H1' H 1 6.059 . . . . . . A 9 DT H1' . c17885_2lia 1 49 . 1 1 9 9 DT H2' H 1 2.125 . . . . . . A 9 DT H2' . c17885_2lia 1 50 . 1 1 9 9 DT H2'' H 1 2.246 . . 2 . . . A 9 DT H2'' . c17885_2lia 1 51 . 1 1 9 9 DT H3' H 1 4.851 . . . . . . A 9 DT H3' . c17885_2lia 1 52 . 1 1 9 9 DT H6 H 1 7.445 . . 1 . . . A 9 DT H6 . c17885_2lia 1 53 . 1 1 9 9 DT H71 H 1 1.514 . . 1 . . . A 9 DT H7 . c17885_2lia 1 54 . 1 1 9 9 DT H72 H 1 1.514 . . 1 . . . A 9 DT H7 . c17885_2lia 1 55 . 1 1 9 9 DT H73 H 1 1.514 . . 1 . . . A 9 DT H7 . c17885_2lia 1 56 . 1 1 10 10 DC H1' H 1 5.970 . . . . . . A 10 DC H1' . c17885_2lia 1 57 . 1 1 10 10 DC H2' H 1 2.499 . . . . . . A 10 DC H2' . c17885_2lia 1 58 . 1 1 10 10 DC H2'' H 1 2.491 . . 2 . . . A 10 DC H2'' . c17885_2lia 1 59 . 1 1 10 10 DC H3' H 1 4.743 . . . . . . A 10 DC H3' . c17885_2lia 1 60 . 1 1 10 10 DC H5 H 1 5.641 . . 1 . . . A 10 DC H5 . c17885_2lia 1 61 . 1 1 10 10 DC H6 H 1 7.587 . . 1 . . . A 10 DC H6 . c17885_2lia 1 62 . 1 1 11 11 DT H1' H 1 6.073 . . . . . . A 11 DT H1' . c17885_2lia 1 63 . 1 1 11 11 DT H2' H 1 2.152 . . . . . . A 11 DT H2' . c17885_2lia 1 64 . 1 1 11 11 DT H2'' H 1 2.243 . . 2 . . . A 11 DT H2'' . c17885_2lia 1 65 . 1 1 11 11 DT H3' H 1 4.841 . . . . . . A 11 DT H3' . c17885_2lia 1 66 . 1 1 11 11 DT H6 H 1 7.453 . . 1 . . . A 11 DT H6 . c17885_2lia 1 67 . 1 1 11 11 DT H71 H 1 1.703 . . 1 . . . A 11 DT H7 . c17885_2lia 1 68 . 1 1 11 11 DT H72 H 1 1.703 . . 1 . . . A 11 DT H7 . c17885_2lia 1 69 . 1 1 11 11 DT H73 H 1 1.703 . . 1 . . . A 11 DT H7 . c17885_2lia 1 70 . 1 1 12 12 DC H1' H 1 6.245 . . . . . . A 12 DC H1' . c17885_2lia 1 71 . 1 1 12 12 DC H3' H 1 4.534 . . . . . . A 12 DC H3' . c17885_2lia 1 72 . 1 1 12 12 DC H5 H 1 5.838 . . 1 . . . A 12 DC H5 . c17885_2lia 1 73 . 1 1 12 12 DC H6 H 1 7.646 . . 1 . . . A 12 DC H6 . c17885_2lia 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 c17885_2lia _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 c17885_2lia _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 . . . c17885_2lia 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 . . . . c17885_2lia 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 8.696 -14.784 13.261 . . . 1.0 . . . . . . . . . . . . A . 1 DG C1' . . . . . . . . . c17885_2lia 1 . 1 . 2 . 1 1 1 DG C2 C 8.618 -12.473 9.573 . . . 1.0 . . . . . . . . . . . . A . 1 DG C2 . . . . . . . . . c17885_2lia 1 . 1 . 3 . 1 1 1 DG C2' C 8.231 -14.768 14.728 . . . 1.0 . . . . . . . . . . . . A . 1 DG C2' . . . . . . . . . c17885_2lia 1 . 1 . 4 . 1 1 1 DG C3' C 9.156 -15.815 15.377 . . . 1.0 . . . . . . . . . . . . A . 1 DG C3' . . . . . . . . . c17885_2lia 1 . 1 . 5 . 1 1 1 DG C4 C 7.707 -13.824 11.126 . . . 1.0 . . . . . . . . . . . . A . 1 DG C4 . . . . . . . . . c17885_2lia 1 . 1 . 6 . 1 1 1 DG C4' C 9.415 -16.796 14.228 . . . 1.0 . . . . . . . . . . . . A . 1 DG C4' . . . . . . . . . c17885_2lia 1 . 1 . 7 . 1 1 1 DG C5 C 6.511 -13.945 10.459 . . . 1.0 . . . . . . . . . . . . A . 1 DG C5 . . . . . . . . . c17885_2lia 1 . 1 . 8 . 1 1 1 DG C5' C 8.459 -18.009 14.158 . . . 1.0 . . . . . . . . . . . . A . 1 DG C5' . . . . . . . . . c17885_2lia 1 . 1 . 9 . 1 1 1 DG C6 C 6.372 -13.289 9.191 . . . 1.0 . . . . . . . . . . . . A . 1 DG C6 . . . . . . . . . c17885_2lia 1 . 1 . 10 . 1 1 1 DG C8 C 6.307 -15.069 12.264 . . . 1.0 . . . . . . . . . . . . A . 1 DG C8 . . . . . . . . . c17885_2lia 1 . 1 . 11 . 1 1 1 DG H1 H 7.396 -12.012 7.979 . . . 1.0 . . . . . . . . . . . . A . 1 DG H1 . . . . . . . . . c17885_2lia 1 . 1 . 12 . 1 1 1 DG H1' H 9.435 -13.990 13.154 . . . 1.0 . . . . . . . . . . . . A . 1 DG H1' . . . . . . . . . c17885_2lia 1 . 1 . 13 . 1 1 1 DG H2' H 7.205 -15.107 14.866 . . . 1.0 . . . . . . . . . . . . A . 1 DG H2' . . . . . . . . . c17885_2lia 1 . 1 . 14 . 1 1 1 DG H2'' H 8.358 -13.768 15.144 . . . 1.0 . . . . . . . . . . . . A . 1 DG H2'' . . . . . . . . . c17885_2lia 1 . 1 . 15 . 1 1 1 DG H21 H 10.436 -11.651 9.714 . . . 1.0 . . . . . . . . . . . . A . 1 DG H21 . . . . . . . . . c17885_2lia 1 . 1 . 16 . 1 1 1 DG H22 H 9.468 -11.162 8.324 . . . 1.0 . . . . . . . . . . . . A . 1 DG H22 . . . . . . . . . c17885_2lia 1 . 1 . 17 . 1 1 1 DG H3' H 8.620 -16.313 16.185 . . . 1.0 . . . . . . . . . . . . A . 1 DG H3' . . . . . . . . . c17885_2lia 1 . 1 . 18 . 1 1 1 DG H4' H 10.416 -17.219 14.313 . . . 1.0 . . . . . . . . . . . . A . 1 DG H4' . . . . . . . . . c17885_2lia 1 . 1 . 19 . 1 1 1 DG H5' H 8.597 -18.488 13.189 . . . 1.0 . . . . . . . . . . . . A . 1 DG H5' . . . . . . . . . c17885_2lia 1 . 1 . 20 . 1 1 1 DG H5'' H 8.718 -18.732 14.931 . . . 1.0 . . . . . . . . . . . . A . 1 DG H5'' . . . . . . . . . c17885_2lia 1 . 1 . 21 . 1 1 1 DG H8 H 5.937 -15.700 13.058 . . . 1.0 . . . . . . . . . . . . A . 1 DG H8 . . . . . . . . . c17885_2lia 1 . 1 . 22 . 1 1 1 DG HO5' H 6.581 -18.481 14.296 . . . 1.0 . . . . . . . . . . . . A . 1 DG HO5' . . . . . . . . . c17885_2lia 1 . 1 . 23 . 1 1 1 DG N1 N 7.488 -12.556 8.825 . . . 1.0 . . . . . . . . . . . . A . 1 DG N1 . . . . . . . . . c17885_2lia 1 . 1 . 24 . 1 1 1 DG N2 N 9.619 -11.753 9.129 . . . 1.0 . . . . . . . . . . . . A . 1 DG N2 . . . . . . . . . c17885_2lia 1 . 1 . 25 . 1 1 1 DG N3 N 8.802 -13.091 10.732 . . . 1.0 . . . . . . . . . . . . A . 1 DG N3 . . . . . . . . . c17885_2lia 1 . 1 . 26 . 1 1 1 DG N7 N 5.605 -14.726 11.214 . . . 1.0 . . . . . . . . . . . . A . 1 DG N7 . . . . . . . . . c17885_2lia 1 . 1 . 27 . 1 1 1 DG N9 N 7.590 -14.548 12.293 . . . 1.0 . . . . . . . . . . . . A . 1 DG N9 . . . . . . . . . c17885_2lia 1 . 1 . 28 . 1 1 1 DG O3' O 10.395 -15.297 15.836 . . . 1.0 . . . . . . . . . . . . A . 1 DG O3' . . . . . . . . . c17885_2lia 1 . 1 . 29 . 1 1 1 DG O4' O 9.323 -16.027 13.030 . . . 1.0 . . . . . . . . . . . . A . 1 DG O4' . . . . . . . . . c17885_2lia 1 . 1 . 30 . 1 1 1 DG O5' O 7.087 -17.665 14.297 . . . 1.0 . . . . . . . . . . . . A . 1 DG O5' . . . . . . . . . c17885_2lia 1 . 1 . 31 . 1 1 1 DG O6 O 5.408 -13.276 8.413 . . . 1.0 . . . . . . . . . . . . A . 1 DG O6 . . . . . . . . . c17885_2lia 1 . 1 . 32 . 1 1 2 DA C1' C 9.304 -10.243 13.503 . . . 1.0 . . . . . . . . . . . . A . 2 DA C1' . . . . . . . . . c17885_2lia 1 . 1 . 33 . 1 1 2 DA C2 C 7.234 -9.192 9.822 . . . 1.0 . . . . . . . . . . . . A . 2 DA C2 . . . . . . . . . c17885_2lia 1 . 1 . 34 . 1 1 2 DA C2' C 9.427 -9.675 14.922 . . . 1.0 . . . . . . . . . . . . A . 2 DA C2' . . . . . . . . . c17885_2lia 1 . 1 . 35 . 1 1 2 DA C3' C 10.903 -9.905 15.216 . . . 1.0 . . . . . . . . . . . . A . 2 DA C3' . . . . . . . . . c17885_2lia 1 . 1 . 36 . 1 1 2 DA C4 C 7.375 -10.097 11.868 . . . 1.0 . . . . . . . . . . . . A . 2 DA C4 . . . . . . . . . c17885_2lia 1 . 1 . 37 . 1 1 2 DA C4' C 11.192 -11.197 14.411 . . . 1.0 . . . . . . . . . . . . A . 2 DA C4' . . . . . . . . . c17885_2lia 1 . 1 . 38 . 1 1 2 DA C5 C 6.100 -10.573 11.837 . . . 1.0 . . . . . . . . . . . . A . 2 DA C5 . . . . . . . . . c17885_2lia 1 . 1 . 39 . 1 1 2 DA C5' C 11.508 -12.440 15.271 . . . 1.0 . . . . . . . . . . . . A . 2 DA C5' . . . . . . . . . c17885_2lia 1 . 1 . 40 . 1 1 2 DA C6 C 5.423 -10.299 10.616 . . . 1.0 . . . . . . . . . . . . A . 2 DA C6 . . . . . . . . . c17885_2lia 1 . 1 . 41 . 1 1 2 DA C8 C 6.889 -11.142 13.725 . . . 1.0 . . . . . . . . . . . . A . 2 DA C8 . . . . . . . . . c17885_2lia 1 . 1 . 42 . 1 1 2 DA H1' H 9.744 -9.527 12.809 . . . 1.0 . . . . . . . . . . . . A . 2 DA H1' . . . . . . . . . c17885_2lia 1 . 1 . 43 . 1 1 2 DA H2 H 7.702 -8.642 9.020 . . . 1.0 . . . . . . . . . . . . A . 2 DA H2 . . . . . . . . . c17885_2lia 1 . 1 . 44 . 1 1 2 DA H2' H 8.824 -10.252 15.624 . . . 1.0 . . . . . . . . . . . . A . 2 DA H2' . . . . . . . . . c17885_2lia 1 . 1 . 45 . 1 1 2 DA H2'' H 9.161 -8.618 14.932 . . . 1.0 . . . . . . . . . . . . A . 2 DA H2'' . . . . . . . . . c17885_2lia 1 . 1 . 46 . 1 1 2 DA H3' H 11.082 -10.048 16.281 . . . 1.0 . . . . . . . . . . . . A . 2 DA H3' . . . . . . . . . c17885_2lia 1 . 1 . 47 . 1 1 2 DA H4' H 12.081 -10.993 13.815 . . . 1.0 . . . . . . . . . . . . A . 2 DA H4' . . . . . . . . . c17885_2lia 1 . 1 . 48 . 1 1 2 DA H5' H 11.718 -13.254 14.577 . . . 1.0 . . . . . . . . . . . . A . 2 DA H5' . . . . . . . . . c17885_2lia 1 . 1 . 49 . 1 1 2 DA H5'' H 12.421 -12.251 15.835 . . . 1.0 . . . . . . . . . . . . A . 2 DA H5'' . . . . . . . . . c17885_2lia 1 . 1 . 50 . 1 1 2 DA H61 H 3.677 -11.145 11.081 . . . 1.0 . . . . . . . . . . . . A . 2 DA H61 . . . . . . . . . c17885_2lia 1 . 1 . 51 . 1 1 2 DA H62 H 3.807 -10.513 9.421 . . . 1.0 . . . . . . . . . . . . A . 2 DA H62 . . . . . . . . . c17885_2lia 1 . 1 . 52 . 1 1 2 DA H8 H 7.001 -11.564 14.713 . . . 1.0 . . . . . . . . . . . . A . 2 DA H8 . . . . . . . . . c17885_2lia 1 . 1 . 53 . 1 1 2 DA N1 N 6.008 -9.643 9.606 . . . 1.0 . . . . . . . . . . . . A . 2 DA N1 . . . . . . . . . c17885_2lia 1 . 1 . 54 . 1 1 2 DA N3 N 8.003 -9.383 10.881 . . . 1.0 . . . . . . . . . . . . A . 2 DA N3 . . . . . . . . . c17885_2lia 1 . 1 . 55 . 1 1 2 DA N6 N 4.186 -10.683 10.341 . . . 1.0 . . . . . . . . . . . . A . 2 DA N6 . . . . . . . . . c17885_2lia 1 . 1 . 56 . 1 1 2 DA N7 N 5.775 -11.237 13.034 . . . 1.0 . . . . . . . . . . . . A . 2 DA N7 . . . . . . . . . c17885_2lia 1 . 1 . 57 . 1 1 2 DA N9 N 7.919 -10.501 13.062 . . . 1.0 . . . . . . . . . . . . A . 2 DA N9 . . . . . . . . . c17885_2lia 1 . 1 . 58 . 1 1 2 DA O3' O 11.699 -8.860 14.670 . . . 1.0 . . . . . . . . . . . . A . 2 DA O3' . . . . . . . . . c17885_2lia 1 . 1 . 59 . 1 1 2 DA O4' O 10.097 -11.427 13.518 . . . 1.0 . . . . . . . . . . . . A . 2 DA O4' . . . . . . . . . c17885_2lia 1 . 1 . 60 . 1 1 2 DA O5' O 10.464 -12.792 16.164 . . . 1.0 . . . . . . . . . . . . A . 2 DA O5' . . . . . . . . . c17885_2lia 1 . 1 . 61 . 1 1 2 DA OP1 O 11.895 -14.308 17.579 . . . 1.0 . . . . . . . . . . . . A . 2 DA OP1 . . . . . . . . . c17885_2lia 1 . 1 . 62 . 1 1 2 DA OP2 O 9.368 -14.311 17.887 . . . 1.0 . . . . . . . . . . . . A . 2 DA OP2 . . . . . . . . . c17885_2lia 1 . 1 . 63 . 1 1 2 DA P P 10.532 -14.177 16.990 . . . 1.0 . . . . . . . . . . . . A . 2 DA P . . . . . . . . . c17885_2lia 1 . 1 . 64 . 1 1 3 DG C1' C 9.819 -4.422 12.119 . . . 1.0 . . . . . . . . . . . . A . 3 DG C1' . . . . . . . . . c17885_2lia 1 . 1 . 65 . 1 1 3 DG C2 C 6.175 -4.735 9.736 . . . 1.0 . . . . . . . . . . . . A . 3 DG C2 . . . . . . . . . c17885_2lia 1 . 1 . 66 . 1 1 3 DG C2' C 10.334 -3.705 13.363 . . . 1.0 . . . . . . . . . . . . A . 3 DG C2' . . . . . . . . . c17885_2lia 1 . 1 . 67 . 1 1 3 DG C3' C 11.842 -3.682 13.141 . . . 1.0 . . . . . . . . . . . . A . 3 DG C3' . . . . . . . . . c17885_2lia 1 . 1 . 68 . 1 1 3 DG C4 C 7.492 -5.226 11.484 . . . 1.0 . . . . . . . . . . . . A . 3 DG C4 . . . . . . . . . c17885_2lia 1 . 1 . 69 . 1 1 3 DG C4' C 12.077 -4.975 12.366 . . . 1.0 . . . . . . . . . . . . A . 3 DG C4' . . . . . . . . . c17885_2lia 1 . 1 . 70 . 1 1 3 DG C5 C 6.631 -6.195 11.973 . . . 1.0 . . . . . . . . . . . . A . 3 DG C5 . . . . . . . . . c17885_2lia 1 . 1 . 71 . 1 1 3 DG C5' C 12.435 -6.193 13.226 . . . 1.0 . . . . . . . . . . . . A . 3 DG C5' . . . . . . . . . c17885_2lia 1 . 1 . 72 . 1 1 3 DG C6 C 5.446 -6.462 11.233 . . . 1.0 . . . . . . . . . . . . A . 3 DG C6 . . . . . . . . . c17885_2lia 1 . 1 . 73 . 1 1 3 DG C8 C 8.318 -6.143 13.304 . . . 1.0 . . . . . . . . . . . . A . 3 DG C8 . . . . . . . . . c17885_2lia 1 . 1 . 74 . 1 1 3 DG H1 H 4.453 -5.800 9.576 . . . 1.0 . . . . . . . . . . . . A . 3 DG H1 . . . . . . . . . c17885_2lia 1 . 1 . 75 . 1 1 3 DG H1' H 9.629 -3.657 11.366 . . . 1.0 . . . . . . . . . . . . A . 3 DG H1' . . . . . . . . . c17885_2lia 1 . 1 . 76 . 1 1 3 DG H2' H 10.124 -4.263 14.275 . . . 1.0 . . . . . . . . . . . . A . 3 DG H2' . . . . . . . . . c17885_2lia 1 . 1 . 77 . 1 1 3 DG H2'' H 9.924 -2.698 13.439 . . . 1.0 . . . . . . . . . . . . A . 3 DG H2'' . . . . . . . . . c17885_2lia 1 . 1 . 78 . 1 1 3 DG H21 H 6.553 -3.342 8.376 . . . 1.0 . . . . . . . . . . . . A . 3 DG H21 . . . . . . . . . c17885_2lia 1 . 1 . 79 . 1 1 3 DG H22 H 5.002 -4.142 8.178 . . . 1.0 . . . . . . . . . . . . A . 3 DG H22 . . . . . . . . . c17885_2lia 1 . 1 . 80 . 1 1 3 DG H3' H 12.400 -3.685 14.078 . . . 1.0 . . . . . . . . . . . . A . 3 DG H3' . . . . . . . . . c17885_2lia 1 . 1 . 81 . 1 1 3 DG H4' H 12.875 -4.792 11.647 . . . 1.0 . . . . . . . . . . . . A . 3 DG H4' . . . . . . . . . c17885_2lia 1 . 1 . 82 . 1 1 3 DG H5' H 12.383 -7.100 12.623 . . . 1.0 . . . . . . . . . . . . A . 3 DG H5' . . . . . . . . . c17885_2lia 1 . 1 . 83 . 1 1 3 DG H5'' H 13.479 -6.096 13.524 . . . 1.0 . . . . . . . . . . . . A . 3 DG H5'' . . . . . . . . . c17885_2lia 1 . 1 . 84 . 1 1 3 DG H8 H 8.985 -6.335 14.131 . . . 1.0 . . . . . . . . . . . . A . 3 DG H8 . . . . . . . . . c17885_2lia 1 . 1 . 85 . 1 1 3 DG N1 N 5.287 -5.672 10.131 . . . 1.0 . . . . . . . . . . . . A . 3 DG N1 . . . . . . . . . c17885_2lia 1 . 1 . 86 . 1 1 3 DG N2 N 5.882 -4.040 8.663 . . . 1.0 . . . . . . . . . . . . A . 3 DG N2 . . . . . . . . . c17885_2lia 1 . 1 . 87 . 1 1 3 DG N3 N 7.316 -4.464 10.361 . . . 1.0 . . . . . . . . . . . . A . 3 DG N3 . . . . . . . . . c17885_2lia 1 . 1 . 88 . 1 1 3 DG N7 N 7.160 -6.747 13.166 . . . 1.0 . . . . . . . . . . . . A . 3 DG N7 . . . . . . . . . c17885_2lia 1 . 1 . 89 . 1 1 3 DG N9 N 8.602 -5.234 12.303 . . . 1.0 . . . . . . . . . . . . A . 3 DG N9 . . . . . . . . . c17885_2lia 1 . 1 . 90 . 1 1 3 DG O3' O 12.267 -2.559 12.351 . . . 1.0 . . . . . . . . . . . . A . 3 DG O3' . . . . . . . . . c17885_2lia 1 . 1 . 91 . 1 1 3 DG O4' O 10.879 -5.248 11.659 . . . 1.0 . . . . . . . . . . . . A . 3 DG O4' . . . . . . . . . c17885_2lia 1 . 1 . 92 . 1 1 3 DG O5' O 11.652 -6.379 14.415 . . . 1.0 . . . . . . . . . . . . A . 3 DG O5' . . . . . . . . . c17885_2lia 1 . 1 . 93 . 1 1 3 DG O6 O 4.553 -7.268 11.456 . . . 1.0 . . . . . . . . . . . . A . 3 DG O6 . . . . . . . . . c17885_2lia 1 . 1 . 94 . 1 1 3 DG OP1 O 13.486 -7.487 15.730 . . . 1.0 . . . . . . . . . . . . A . 3 DG OP1 . . . . . . . . . c17885_2lia 1 . 1 . 95 . 1 1 3 DG OP2 O 11.108 -7.348 16.635 . . . 1.0 . . . . . . . . . . . . A . 3 DG OP2 . . . . . . . . . c17885_2lia 1 . 1 . 96 . 1 1 3 DG P P 12.037 -7.502 15.488 . . . 1.0 . . . . . . . . . . . . A . 3 DG P . . . . . . . . . c17885_2lia 1 . 1 . 97 . 1 1 4 DA C1' C 7.289 0.182 11.447 . . . 1.0 . . . . . . . . . . . . A . 4 DA C1' . . . . . . . . . c17885_2lia 1 . 1 . 98 . 1 1 4 DA C2 C 3.624 -2.089 10.643 . . . 1.0 . . . . . . . . . . . . A . 4 DA C2 . . . . . . . . . c17885_2lia 1 . 1 . 99 . 1 1 4 DA C2' C 7.976 1.157 12.396 . . . 1.0 . . . . . . . . . . . . A . 4 DA C2' . . . . . . . . . c17885_2lia 1 . 1 . 100 . 1 1 4 DA C3' C 9.076 1.786 11.539 . . . 1.0 . . . . . . . . . . . . A . 4 DA C3' . . . . . . . . . c17885_2lia 1 . 1 . 101 . 1 1 4 DA C4 C 5.500 -1.614 11.750 . . . 1.0 . . . . . . . . . . . . A . 4 DA C4 . . . . . . . . . c17885_2lia 1 . 1 . 102 . 1 1 4 DA C4' C 9.417 0.628 10.582 . . . 1.0 . . . . . . . . . . . . A . 4 DA C4' . . . . . . . . . c17885_2lia 1 . 1 . 103 . 1 1 4 DA C5 C 5.309 -2.636 12.638 . . . 1.0 . . . . . . . . . . . . A . 4 DA C5 . . . . . . . . . c17885_2lia 1 . 1 . 104 . 1 1 4 DA C5' C 10.725 -0.099 10.970 . . . 1.0 . . . . . . . . . . . . A . 4 DA C5' . . . . . . . . . c17885_2lia 1 . 1 . 105 . 1 1 4 DA C6 C 4.136 -3.396 12.435 . . . 1.0 . . . . . . . . . . . . A . 4 DA C6 . . . . . . . . . c17885_2lia 1 . 1 . 106 . 1 1 4 DA C8 C 7.155 -1.716 13.195 . . . 1.0 . . . . . . . . . . . . A . 4 DA C8 . . . . . . . . . c17885_2lia 1 . 1 . 107 . 1 1 4 DA H1' H 6.509 0.734 10.923 . . . 1.0 . . . . . . . . . . . . A . 4 DA H1' . . . . . . . . . c17885_2lia 1 . 1 . 108 . 1 1 4 DA H2 H 2.901 -1.890 9.866 . . . 1.0 . . . . . . . . . . . . A . 4 DA H2 . . . . . . . . . c17885_2lia 1 . 1 . 109 . 1 1 4 DA H2' H 8.442 0.643 13.236 . . . 1.0 . . . . . . . . . . . . A . 4 DA H2' . . . . . . . . . c17885_2lia 1 . 1 . 110 . 1 1 4 DA H2'' H 7.273 1.890 12.793 . . . 1.0 . . . . . . . . . . . . A . 4 DA H2'' . . . . . . . . . c17885_2lia 1 . 1 . 111 . 1 1 4 DA H3' H 9.917 2.039 12.185 . . . 1.0 . . . . . . . . . . . . A . 4 DA H3' . . . . . . . . . c17885_2lia 1 . 1 . 112 . 1 1 4 DA H4' H 9.544 1.028 9.576 . . . 1.0 . . . . . . . . . . . . A . 4 DA H4' . . . . . . . . . c17885_2lia 1 . 1 . 113 . 1 1 4 DA H5' H 10.802 -1.002 10.364 . . . 1.0 . . . . . . . . . . . . A . 4 DA H5' . . . . . . . . . c17885_2lia 1 . 1 . 114 . 1 1 4 DA H5'' H 11.532 0.589 10.719 . . . 1.0 . . . . . . . . . . . . A . 4 DA H5'' . . . . . . . . . c17885_2lia 1 . 1 . 115 . 1 1 4 DA H61 H 4.377 -4.719 13.954 . . . 1.0 . . . . . . . . . . . . A . 4 DA H61 . . . . . . . . . c17885_2lia 1 . 1 . 116 . 1 1 4 DA H62 H 2.949 -4.950 12.980 . . . 1.0 . . . . . . . . . . . . A . 4 DA H62 . . . . . . . . . c17885_2lia 1 . 1 . 117 . 1 1 4 DA H8 H 8.054 -1.442 13.728 . . . 1.0 . . . . . . . . . . . . A . 4 DA H8 . . . . . . . . . c17885_2lia 1 . 1 . 118 . 1 1 4 DA N1 N 3.306 -3.101 11.438 . . . 1.0 . . . . . . . . . . . . A . 4 DA N1 . . . . . . . . . c17885_2lia 1 . 1 . 119 . 1 1 4 DA N3 N 4.675 -1.280 10.724 . . . 1.0 . . . . . . . . . . . . A . 4 DA N3 . . . . . . . . . c17885_2lia 1 . 1 . 120 . 1 1 4 DA N6 N 3.786 -4.426 13.189 . . . 1.0 . . . . . . . . . . . . A . 4 DA N6 . . . . . . . . . c17885_2lia 1 . 1 . 121 . 1 1 4 DA N7 N 6.378 -2.700 13.568 . . . 1.0 . . . . . . . . . . . . A . 4 DA N7 . . . . . . . . . c17885_2lia 1 . 1 . 122 . 1 1 4 DA N9 N 6.690 -0.999 12.112 . . . 1.0 . . . . . . . . . . . . A . 4 DA N9 . . . . . . . . . c17885_2lia 1 . 1 . 123 . 1 1 4 DA O3' O 8.675 2.920 10.772 . . . 1.0 . . . . . . . . . . . . A . 4 DA O3' . . . . . . . . . c17885_2lia 1 . 1 . 124 . 1 1 4 DA O4' O 8.308 -0.278 10.570 . . . 1.0 . . . . . . . . . . . . A . 4 DA O4' . . . . . . . . . c17885_2lia 1 . 1 . 125 . 1 1 4 DA O5' O 10.877 -0.393 12.362 . . . 1.0 . . . . . . . . . . . . A . 4 DA O5' . . . . . . . . . c17885_2lia 1 . 1 . 126 . 1 1 4 DA OP1 O 13.379 -0.319 12.271 . . . 1.0 . . . . . . . . . . . . A . 4 DA OP1 . . . . . . . . . c17885_2lia 1 . 1 . 127 . 1 1 4 DA OP2 O 12.164 -1.065 14.391 . . . 1.0 . . . . . . . . . . . . A . 4 DA OP2 . . . . . . . . . c17885_2lia 1 . 1 . 128 . 1 1 4 DA P P 12.254 -1.032 12.918 . . . 1.0 . . . . . . . . . . . . A . 4 DA P . . . . . . . . . c17885_2lia 1 . 1 . 129 . 1 1 5 . C1' C 3.163 2.450 11.305 . . . 1.0 . . . . . . . . . . . . A . 5 2LA C1' . . . . . . . . . c17885_2lia 1 . 1 . 130 . 1 1 5 . C10 C 5.115 -0.030 15.313 . . . 1.0 . . . . . . . . . . . . A . 5 2LA C10 . . . . . . . . . c17885_2lia 1 . 1 . 131 . 1 1 5 . C2 C 0.500 -0.705 12.649 . . . 1.0 . . . . . . . . . . . . A . 5 2LA C2 . . . . . . . . . c17885_2lia 1 . 1 . 132 . 1 1 5 . C2' C 2.954 3.824 11.898 . . . 1.0 . . . . . . . . . . . . A . 5 2LA C2' . . . . . . . . . c17885_2lia 1 . 1 . 133 . 1 1 5 . C3' C 3.704 4.771 10.957 . . . 1.0 . . . . . . . . . . . . A . 5 2LA C3' . . . . . . . . . c17885_2lia 1 . 1 . 134 . 1 1 5 . C4 C 2.352 0.490 12.698 . . . 1.0 . . . . . . . . . . . . A . 5 2LA C4 . . . . . . . . . c17885_2lia 1 . 1 . 135 . 1 1 5 . C4' C 4.549 3.819 10.077 . . . 1.0 . . . . . . . . . . . . A . 5 2LA C4' . . . . . . . . . c17885_2lia 1 . 1 . 136 . 1 1 5 . C5 C 2.855 -0.210 13.767 . . . 1.0 . . . . . . . . . . . . A . 5 2LA C5 . . . . . . . . . c17885_2lia 1 . 1 . 137 . 1 1 5 . C5' C 6.037 4.227 9.988 . . . 1.0 . . . . . . . . . . . . A . 5 2LA C5' . . . . . . . . . c17885_2lia 1 . 1 . 138 . 1 1 5 . C6 C 2.124 -1.302 14.289 . . . 1.0 . . . . . . . . . . . . A . 5 2LA C6 . . . . . . . . . c17885_2lia 1 . 1 . 139 . 1 1 5 . C7 C 4.117 0.253 14.189 . . . 1.0 . . . . . . . . . . . . A . 5 2LA C7 . . . . . . . . . c17885_2lia 1 . 1 . 140 . 1 1 5 . C8 C 4.318 1.297 13.279 . . . 1.0 . . . . . . . . . . . . A . 5 2LA C8 . . . . . . . . . c17885_2lia 1 . 1 . 141 . 1 1 5 . H1' H 2.359 2.185 10.618 . . . 1.0 . . . . . . . . . . . . A . 5 2LA H1' . . . . . . . . . c17885_2lia 1 . 1 . 142 . 1 1 5 . H10 H 6.126 0.152 14.947 . . . 1.0 . . . . . . . . . . . . A . 5 2LA H10 . . . . . . . . . c17885_2lia 1 . 1 . 143 . 1 1 5 . H10A H 4.964 0.725 16.085 . . . 1.0 . . . . . . . . . . . . A . 5 2LA H10A . . . . . . . . . c17885_2lia 1 . 1 . 144 . 1 1 5 . H111 H 5.328 -2.076 15.233 . . . 1.0 . . . . . . . . . . . . A . 5 2LA H111 . . . . . . . . . c17885_2lia 1 . 1 . 145 . 1 1 5 . H12' H 3.415 3.869 12.885 . . . 1.0 . . . . . . . . . . . . A . 5 2LA H12' . . . . . . . . . c17885_2lia 1 . 1 . 146 . 1 1 5 . H15' H 6.565 3.530 9.338 . . . 1.0 . . . . . . . . . . . . A . 5 2LA H15' . . . . . . . . . c17885_2lia 1 . 1 . 147 . 1 1 5 . H1N1 H 0.353 -2.219 14.000 . . . 1.0 . . . . . . . . . . . . A . 5 2LA H1N1 . . . . . . . . . c17885_2lia 1 . 1 . 148 . 1 1 5 . H22' H 1.899 4.092 11.951 . . . 1.0 . . . . . . . . . . . . A . 5 2LA H22' . . . . . . . . . c17885_2lia 1 . 1 . 149 . 1 1 5 . H25' H 6.100 5.224 9.554 . . . 1.0 . . . . . . . . . . . . A . 5 2LA H25' . . . . . . . . . c17885_2lia 1 . 1 . 150 . 1 1 5 . H3' H 4.367 5.420 11.530 . . . 1.0 . . . . . . . . . . . . A . 5 2LA H3' . . . . . . . . . c17885_2lia 1 . 1 . 151 . 1 1 5 . H4' H 4.150 3.827 9.063 . . . 1.0 . . . . . . . . . . . . A . 5 2LA H4' . . . . . . . . . c17885_2lia 1 . 1 . 152 . 1 1 5 . H8 H 5.184 1.939 13.336 . . . 1.0 . . . . . . . . . . . . A . 5 2LA H8 . . . . . . . . . c17885_2lia 1 . 1 . 153 . 1 1 5 . HN11 H 4.045 -1.613 16.088 . . . 1.0 . . . . . . . . . . . . A . 5 2LA HN11 . . . . . . . . . c17885_2lia 1 . 1 . 154 . 1 1 5 . HN1A H 5.553 -1.474 16.737 . . . 1.0 . . . . . . . . . . . . A . 5 2LA HN1A . . . . . . . . . c17885_2lia 1 . 1 . 155 . 1 1 5 . HN2 H -1.010 -0.393 11.399 . . . 1.0 . . . . . . . . . . . . A . 5 2LA HN2 . . . . . . . . . c17885_2lia 1 . 1 . 156 . 1 1 5 . HN2A H -1.228 -1.728 12.551 . . . 1.0 . . . . . . . . . . . . A . 5 2LA HN2A . . . . . . . . . c17885_2lia 1 . 1 . 157 . 1 1 5 . N1 N 0.926 -1.450 13.683 . . . 1.0 . . . . . . . . . . . . A . 5 2LA N1 . . . . . . . . . c17885_2lia 1 . 1 . 158 . 1 1 5 . N11 N 5.008 -1.380 15.892 . . . 1.0 . . . . . . . . . . . . A . 5 2LA N11 . . . . . . . . . c17885_2lia 1 . 1 . 159 . 1 1 5 . N2 N -0.689 -0.966 12.166 . . . 1.0 . . . . . . . . . . . . A . 5 2LA N2 . . . . . . . . . c17885_2lia 1 . 1 . 160 . 1 1 5 . N3 N 1.170 0.294 12.088 . . . 1.0 . . . . . . . . . . . . A . 5 2LA N3 . . . . . . . . . c17885_2lia 1 . 1 . 161 . 1 1 5 . N9 N 3.290 1.435 12.371 . . . 1.0 . . . . . . . . . . . . A . 5 2LA N9 . . . . . . . . . c17885_2lia 1 . 1 . 162 . 1 1 5 . O3' O 2.885 5.540 10.098 . . . 1.0 . . . . . . . . . . . . A . 5 2LA O3' . . . . . . . . . c17885_2lia 1 . 1 . 163 . 1 1 5 . O4' O 4.388 2.504 10.588 . . . 1.0 . . . . . . . . . . . . A . 5 2LA O4' . . . . . . . . . c17885_2lia 1 . 1 . 164 . 1 1 5 . O5' O 6.645 4.279 11.279 . . . 1.0 . . . . . . . . . . . . A . 5 2LA O5' . . . . . . . . . c17885_2lia 1 . 1 . 165 . 1 1 5 . O6 O 2.393 -2.097 15.177 . . . 1.0 . . . . . . . . . . . . A . 5 2LA O6 . . . . . . . . . c17885_2lia 1 . 1 . 166 . 1 1 5 . OP1 O 8.740 5.433 10.562 . . . 1.0 . . . . . . . . . . . . A . 5 2LA OP1 . . . . . . . . . c17885_2lia 1 . 1 . 167 . 1 1 5 . OP2 O 8.595 4.325 12.876 . . . 1.0 . . . . . . . . . . . . A . 5 2LA OP2 . . . . . . . . . c17885_2lia 1 . 1 . 168 . 1 1 5 . P P 8.246 4.331 11.426 . . . 1.0 . . . . . . . . . . . . A . 5 2LA P . . . . . . . . . c17885_2lia 1 . 1 . 169 . 1 1 6 DC C1' C -1.521 3.467 13.071 . . . 1.0 . . . . . . . . . . . . A . 6 DC C1' . . . . . . . . . c17885_2lia 1 . 1 . 170 . 1 1 6 DC C2 C -1.013 1.647 14.728 . . . 1.0 . . . . . . . . . . . . A . 6 DC C2 . . . . . . . . . c17885_2lia 1 . 1 . 171 . 1 1 6 DC C2' C -1.961 4.895 13.394 . . . 1.0 . . . . . . . . . . . . A . 6 DC C2' . . . . . . . . . c17885_2lia 1 . 1 . 172 . 1 1 6 DC C3' C -2.196 5.528 12.020 . . . 1.0 . . . . . . . . . . . . A . 6 DC C3' . . . . . . . . . c17885_2lia 1 . 1 . 173 . 1 1 6 DC C4 C 0.933 1.691 15.936 . . . 1.0 . . . . . . . . . . . . A . 6 DC C4 . . . . . . . . . c17885_2lia 1 . 1 . 174 . 1 1 6 DC C4' C -1.358 4.632 11.088 . . . 1.0 . . . . . . . . . . . . A . 6 DC C4' . . . . . . . . . c17885_2lia 1 . 1 . 175 . 1 1 6 DC C5 C 1.343 2.925 15.354 . . . 1.0 . . . . . . . . . . . . A . 6 DC C5 . . . . . . . . . c17885_2lia 1 . 1 . 176 . 1 1 6 DC C5' C -0.262 5.364 10.301 . . . 1.0 . . . . . . . . . . . . A . 6 DC C5' . . . . . . . . . c17885_2lia 1 . 1 . 177 . 1 1 6 DC C6 C 0.517 3.480 14.454 . . . 1.0 . . . . . . . . . . . . A . 6 DC C6 . . . . . . . . . c17885_2lia 1 . 1 . 178 . 1 1 6 DC H1' H -2.407 2.852 12.911 . . . 1.0 . . . . . . . . . . . . A . 6 DC H1' . . . . . . . . . c17885_2lia 1 . 1 . 179 . 1 1 6 DC H2' H -1.171 5.428 13.924 . . . 1.0 . . . . . . . . . . . . A . 6 DC H2' . . . . . . . . . c17885_2lia 1 . 1 . 180 . 1 1 6 DC H2'' H -2.866 4.889 14.001 . . . 1.0 . . . . . . . . . . . . A . 6 DC H2'' . . . . . . . . . c17885_2lia 1 . 1 . 181 . 1 1 6 DC H3' H -1.789 6.539 12.009 . . . 1.0 . . . . . . . . . . . . A . 6 DC H3' . . . . . . . . . c17885_2lia 1 . 1 . 182 . 1 1 6 DC H4' H -2.031 4.210 10.341 . . . 1.0 . . . . . . . . . . . . A . 6 DC H4' . . . . . . . . . c17885_2lia 1 . 1 . 183 . 1 1 6 DC H41 H 2.570 1.566 17.071 . . . 1.0 . . . . . . . . . . . . A . 6 DC H41 . . . . . . . . . c17885_2lia 1 . 1 . 184 . 1 1 6 DC H42 H 1.407 0.232 17.180 . . . 1.0 . . . . . . . . . . . . A . 6 DC H42 . . . . . . . . . c17885_2lia 1 . 1 . 185 . 1 1 6 DC H5 H 2.285 3.403 15.580 . . . 1.0 . . . . . . . . . . . . A . 6 DC H5 . . . . . . . . . c17885_2lia 1 . 1 . 186 . 1 1 6 DC H5' H 0.286 4.622 9.721 . . . 1.0 . . . . . . . . . . . . A . 6 DC H5' . . . . . . . . . c17885_2lia 1 . 1 . 187 . 1 1 6 DC H5'' H -0.720 6.075 9.613 . . . 1.0 . . . . . . . . . . . . A . 6 DC H5'' . . . . . . . . . c17885_2lia 1 . 1 . 188 . 1 1 6 DC H6 H 0.772 4.398 13.945 . . . 1.0 . . . . . . . . . . . . A . 6 DC H6 . . . . . . . . . c17885_2lia 1 . 1 . 189 . 1 1 6 DC N1 N -0.657 2.863 14.116 . . . 1.0 . . . . . . . . . . . . A . 6 DC N1 . . . . . . . . . c17885_2lia 1 . 1 . 190 . 1 1 6 DC N3 N -0.194 1.079 15.645 . . . 1.0 . . . . . . . . . . . . A . 6 DC N3 . . . . . . . . . c17885_2lia 1 . 1 . 191 . 1 1 6 DC N4 N 1.710 1.115 16.795 . . . 1.0 . . . . . . . . . . . . A . 6 DC N4 . . . . . . . . . c17885_2lia 1 . 1 . 192 . 1 1 6 DC O2 O -2.075 1.052 14.511 . . . 1.0 . . . . . . . . . . . . A . 6 DC O2 . . . . . . . . . c17885_2lia 1 . 1 . 193 . 1 1 6 DC O3' O -3.552 5.514 11.562 . . . 1.0 . . . . . . . . . . . . A . 6 DC O3' . . . . . . . . . c17885_2lia 1 . 1 . 194 . 1 1 6 DC O4' O -0.816 3.558 11.836 . . . 1.0 . . . . . . . . . . . . A . 6 DC O4' . . . . . . . . . c17885_2lia 1 . 1 . 195 . 1 1 6 DC O5' O 0.627 6.082 11.179 . . . 1.0 . . . . . . . . . . . . A . 6 DC O5' . . . . . . . . . c17885_2lia 1 . 1 . 196 . 1 1 6 DC OP1 O 1.613 7.615 9.487 . . . 1.0 . . . . . . . . . . . . A . 6 DC OP1 . . . . . . . . . c17885_2lia 1 . 1 . 197 . 1 1 6 DC OP2 O 2.684 7.407 11.774 . . . 1.0 . . . . . . . . . . . . A . 6 DC OP2 . . . . . . . . . c17885_2lia 1 . 1 . 198 . 1 1 6 DC P P 1.982 6.771 10.641 . . . 1.0 . . . . . . . . . . . . A . 6 DC P . . . . . . . . . c17885_2lia 1 . 1 . 199 . 1 1 7 DG C1' C -5.583 2.810 16.146 . . . 1.0 . . . . . . . . . . . . A . 7 DG C1' . . . . . . . . . c17885_2lia 1 . 1 . 200 . 1 1 7 DG C2 C -3.643 0.040 18.909 . . . 1.0 . . . . . . . . . . . . A . 7 DG C2 . . . . . . . . . c17885_2lia 1 . 1 . 201 . 1 1 7 DG C2' C -6.421 4.091 16.354 . . . 1.0 . . . . . . . . . . . . A . 7 DG C2' . . . . . . . . . c17885_2lia 1 . 1 . 202 . 1 1 7 DG C3' C -7.332 4.108 15.124 . . . 1.0 . . . . . . . . . . . . A . 7 DG C3' . . . . . . . . . c17885_2lia 1 . 1 . 203 . 1 1 7 DG C4 C -3.734 1.897 17.628 . . . 1.0 . . . . . . . . . . . . A . 7 DG C4 . . . . . . . . . c17885_2lia 1 . 1 . 204 . 1 1 7 DG C4' C -6.498 3.311 14.098 . . . 1.0 . . . . . . . . . . . . A . 7 DG C4' . . . . . . . . . c17885_2lia 1 . 1 . 205 . 1 1 7 DG C5 C -2.458 2.300 17.951 . . . 1.0 . . . . . . . . . . . . A . 7 DG C5 . . . . . . . . . c17885_2lia 1 . 1 . 206 . 1 1 7 DG C5' C -5.963 4.151 12.929 . . . 1.0 . . . . . . . . . . . . A . 7 DG C5' . . . . . . . . . c17885_2lia 1 . 1 . 207 . 1 1 7 DG C6 C -1.679 1.450 18.816 . . . 1.0 . . . . . . . . . . . . A . 7 DG C6 . . . . . . . . . c17885_2lia 1 . 1 . 208 . 1 1 7 DG C8 C -3.296 3.839 16.734 . . . 1.0 . . . . . . . . . . . . A . 7 DG C8 . . . . . . . . . c17885_2lia 1 . 1 . 209 . 1 1 7 DG H1 H -1.850 -0.307 19.843 . . . 1.0 . . . . . . . . . . . . A . 7 DG H1 . . . . . . . . . c17885_2lia 1 . 1 . 210 . 1 1 7 DG H1' H -6.163 1.970 16.526 . . . 1.0 . . . . . . . . . . . . A . 7 DG H1' . . . . . . . . . c17885_2lia 1 . 1 . 211 . 1 1 7 DG H2' H -5.786 4.977 16.339 . . . 1.0 . . . . . . . . . . . . A . 7 DG H2' . . . . . . . . . c17885_2lia 1 . 1 . 212 . 1 1 7 DG H2'' H -7.013 4.048 17.268 . . . 1.0 . . . . . . . . . . . . A . 7 DG H2'' . . . . . . . . . c17885_2lia 1 . 1 . 213 . 1 1 7 DG H21 H -5.121 -1.248 19.220 . . . 1.0 . . . . . . . . . . . . A . 7 DG H21 . . . . . . . . . c17885_2lia 1 . 1 . 214 . 1 1 7 DG H22 H -3.652 -1.581 20.112 . . . 1.0 . . . . . . . . . . . . A . 7 DG H22 . . . . . . . . . c17885_2lia 1 . 1 . 215 . 1 1 7 DG H3' H -7.472 5.135 14.789 . . . 1.0 . . . . . . . . . . . . A . 7 DG H3' . . . . . . . . . c17885_2lia 1 . 1 . 216 . 1 1 7 DG H4' H -7.119 2.518 13.683 . . . 1.0 . . . . . . . . . . . . A . 7 DG H4' . . . . . . . . . c17885_2lia 1 . 1 . 217 . 1 1 7 DG H5' H -5.257 3.549 12.356 . . . 1.0 . . . . . . . . . . . . A . 7 DG H5' . . . . . . . . . c17885_2lia 1 . 1 . 218 . 1 1 7 DG H5'' H -6.779 4.385 12.245 . . . 1.0 . . . . . . . . . . . . A . 7 DG H5'' . . . . . . . . . c17885_2lia 1 . 1 . 219 . 1 1 7 DG H8 H -3.455 4.742 16.164 . . . 1.0 . . . . . . . . . . . . A . 7 DG H8 . . . . . . . . . c17885_2lia 1 . 1 . 220 . 1 1 7 DG N1 N -2.353 0.330 19.242 . . . 1.0 . . . . . . . . . . . . A . 7 DG N1 . . . . . . . . . c17885_2lia 1 . 1 . 221 . 1 1 7 DG N2 N -4.160 -1.025 19.439 . . . 1.0 . . . . . . . . . . . . A . 7 DG N2 . . . . . . . . . c17885_2lia 1 . 1 . 222 . 1 1 7 DG N3 N -4.400 0.789 18.107 . . . 1.0 . . . . . . . . . . . . A . 7 DG N3 . . . . . . . . . c17885_2lia 1 . 1 . 223 . 1 1 7 DG N7 N -2.184 3.559 17.378 . . . 1.0 . . . . . . . . . . . . A . 7 DG N7 . . . . . . . . . c17885_2lia 1 . 1 . 224 . 1 1 7 DG N9 N -4.277 2.882 16.838 . . . 1.0 . . . . . . . . . . . . A . 7 DG N9 . . . . . . . . . c17885_2lia 1 . 1 . 225 . 1 1 7 DG O3' O -8.596 3.464 15.272 . . . 1.0 . . . . . . . . . . . . A . 7 DG O3' . . . . . . . . . c17885_2lia 1 . 1 . 226 . 1 1 7 DG O4' O -5.391 2.722 14.749 . . . 1.0 . . . . . . . . . . . . A . 7 DG O4' . . . . . . . . . c17885_2lia 1 . 1 . 227 . 1 1 7 DG O5' O -5.316 5.352 13.334 . . . 1.0 . . . . . . . . . . . . A . 7 DG O5' . . . . . . . . . c17885_2lia 1 . 1 . 228 . 1 1 7 DG O6 O -0.526 1.595 19.229 . . . 1.0 . . . . . . . . . . . . A . 7 DG O6 . . . . . . . . . c17885_2lia 1 . 1 . 229 . 1 1 7 DG OP1 O -5.782 6.652 11.238 . . . 1.0 . . . . . . . . . . . . A . 7 DG OP1 . . . . . . . . . c17885_2lia 1 . 1 . 230 . 1 1 7 DG OP2 O -4.128 7.543 12.999 . . . 1.0 . . . . . . . . . . . . A . 7 DG OP2 . . . . . . . . . c17885_2lia 1 . 1 . 231 . 1 1 7 DG P P -4.720 6.392 12.256 . . . 1.0 . . . . . . . . . . . . A . 7 DG P . . . . . . . . . c17885_2lia 1 . 1 . 232 . 1 1 8 DC C1' C -7.628 1.619 20.611 . . . 1.0 . . . . . . . . . . . . A . 8 DC C1' . . . . . . . . . c17885_2lia 1 . 1 . 233 . 1 1 8 DC C2 C -5.267 1.902 21.376 . . . 1.0 . . . . . . . . . . . . A . 8 DC C2 . . . . . . . . . c17885_2lia 1 . 1 . 234 . 1 1 8 DC C2' C -8.827 2.274 21.280 . . . 1.0 . . . . . . . . . . . . A . 8 DC C2' . . . . . . . . . c17885_2lia 1 . 1 . 235 . 1 1 8 DC C3' C -9.998 2.087 20.325 . . . 1.0 . . . . . . . . . . . . A . 8 DC C3' . . . . . . . . . c17885_2lia 1 . 1 . 236 . 1 1 8 DC C4 C -4.008 3.697 20.719 . . . 1.0 . . . . . . . . . . . . A . 8 DC C4 . . . . . . . . . c17885_2lia 1 . 1 . 237 . 1 1 8 DC C4' C -9.356 1.380 19.121 . . . 1.0 . . . . . . . . . . . . A . 8 DC C4' . . . . . . . . . c17885_2lia 1 . 1 . 238 . 1 1 8 DC C5 C -5.092 4.304 20.034 . . . 1.0 . . . . . . . . . . . . A . 8 DC C5 . . . . . . . . . c17885_2lia 1 . 1 . 239 . 1 1 8 DC C5' C -9.820 1.895 17.737 . . . 1.0 . . . . . . . . . . . . A . 8 DC C5' . . . . . . . . . c17885_2lia 1 . 1 . 240 . 1 1 8 DC C6 C -6.271 3.629 20.054 . . . 1.0 . . . . . . . . . . . . A . 8 DC C6 . . . . . . . . . c17885_2lia 1 . 1 . 241 . 1 1 8 DC H1' H -7.478 0.647 21.082 . . . 1.0 . . . . . . . . . . . . A . 8 DC H1' . . . . . . . . . c17885_2lia 1 . 1 . 242 . 1 1 8 DC H2' H -8.671 3.341 21.440 . . . 1.0 . . . . . . . . . . . . A . 8 DC H2' . . . . . . . . . c17885_2lia 1 . 1 . 243 . 1 1 8 DC H2'' H -8.988 1.791 22.244 . . . 1.0 . . . . . . . . . . . . A . 8 DC H2'' . . . . . . . . . c17885_2lia 1 . 1 . 244 . 1 1 8 DC H3' H -10.410 3.049 20.021 . . . 1.0 . . . . . . . . . . . . A . 8 DC H3' . . . . . . . . . c17885_2lia 1 . 1 . 245 . 1 1 8 DC H4' H -9.605 0.321 19.179 . . . 1.0 . . . . . . . . . . . . A . 8 DC H4' . . . . . . . . . c17885_2lia 1 . 1 . 246 . 1 1 8 DC H41 H -2.612 5.070 20.244 . . . 1.0 . . . . . . . . . . . . A . 8 DC H41 . . . . . . . . . c17885_2lia 1 . 1 . 247 . 1 1 8 DC H42 H -2.086 3.686 21.206 . . . 1.0 . . . . . . . . . . . . A . 8 DC H42 . . . . . . . . . c17885_2lia 1 . 1 . 248 . 1 1 8 DC H5 H -5.030 5.233 19.487 . . . 1.0 . . . . . . . . . . . . A . 8 DC H5 . . . . . . . . . c17885_2lia 1 . 1 . 249 . 1 1 8 DC H5' H -9.299 1.334 16.962 . . . 1.0 . . . . . . . . . . . . A . 8 DC H5' . . . . . . . . . c17885_2lia 1 . 1 . 250 . 1 1 8 DC H5'' H -10.887 1.696 17.638 . . . 1.0 . . . . . . . . . . . . A . 8 DC H5'' . . . . . . . . . c17885_2lia 1 . 1 . 251 . 1 1 8 DC H6 H -7.135 4.039 19.552 . . . 1.0 . . . . . . . . . . . . A . 8 DC H6 . . . . . . . . . c17885_2lia 1 . 1 . 252 . 1 1 8 DC N1 N -6.374 2.424 20.704 . . . 1.0 . . . . . . . . . . . . A . 8 DC N1 . . . . . . . . . c17885_2lia 1 . 1 . 253 . 1 1 8 DC N3 N -4.087 2.552 21.380 . . . 1.0 . . . . . . . . . . . . A . 8 DC N3 . . . . . . . . . c17885_2lia 1 . 1 . 254 . 1 1 8 DC N4 N -2.810 4.211 20.736 . . . 1.0 . . . . . . . . . . . . A . 8 DC N4 . . . . . . . . . c17885_2lia 1 . 1 . 255 . 1 1 8 DC O2 O -5.312 0.822 21.967 . . . 1.0 . . . . . . . . . . . . A . 8 DC O2 . . . . . . . . . c17885_2lia 1 . 1 . 256 . 1 1 8 DC O3' O -11.042 1.272 20.883 . . . 1.0 . . . . . . . . . . . . A . 8 DC O3' . . . . . . . . . c17885_2lia 1 . 1 . 257 . 1 1 8 DC O4' O -7.951 1.455 19.251 . . . 1.0 . . . . . . . . . . . . A . 8 DC O4' . . . . . . . . . c17885_2lia 1 . 1 . 258 . 1 1 8 DC O5' O -9.565 3.289 17.590 . . . 1.0 . . . . . . . . . . . . A . 8 DC O5' . . . . . . . . . c17885_2lia 1 . 1 . 259 . 1 1 8 DC OP1 O -11.075 3.618 15.610 . . . 1.0 . . . . . . . . . . . . A . 8 DC OP1 . . . . . . . . . c17885_2lia 1 . 1 . 260 . 1 1 8 DC OP2 O -9.552 5.521 16.402 . . . 1.0 . . . . . . . . . . . . A . 8 DC OP2 . . . . . . . . . c17885_2lia 1 . 1 . 261 . 1 1 8 DC P P -9.779 4.061 16.184 . . . 1.0 . . . . . . . . . . . . A . 8 DC P . . . . . . . . . c17885_2lia 1 . 1 . 262 . 1 1 9 DT C1' C -7.782 0.820 25.409 . . . 1.0 . . . . . . . . . . . . A . 9 DT C1' . . . . . . . . . c17885_2lia 1 . 1 . 263 . 1 1 9 DT C2 C -5.558 1.963 25.335 . . . 1.0 . . . . . . . . . . . . A . 9 DT C2 . . . . . . . . . c17885_2lia 1 . 1 . 264 . 1 1 9 DT C2' C -8.890 1.302 26.334 . . . 1.0 . . . . . . . . . . . . A . 9 DT C2' . . . . . . . . . c17885_2lia 1 . 1 . 265 . 1 1 9 DT C3' C -10.094 0.383 26.064 . . . 1.0 . . . . . . . . . . . . A . 9 DT C3' . . . . . . . . . c17885_2lia 1 . 1 . 266 . 1 1 9 DT C4 C -5.295 4.098 24.157 . . . 1.0 . . . . . . . . . . . . A . 9 DT C4 . . . . . . . . . c17885_2lia 1 . 1 . 267 . 1 1 9 DT C4' C -9.708 -0.286 24.730 . . . 1.0 . . . . . . . . . . . . A . 9 DT C4' . . . . . . . . . c17885_2lia 1 . 1 . 268 . 1 1 9 DT C5 C -6.744 4.087 23.963 . . . 1.0 . . . . . . . . . . . . A . 9 DT C5 . . . . . . . . . c17885_2lia 1 . 1 . 269 . 1 1 9 DT C5' C -10.772 -0.088 23.634 . . . 1.0 . . . . . . . . . . . . A . 9 DT C5' . . . . . . . . . c17885_2lia 1 . 1 . 270 . 1 1 9 DT C6 C -7.491 3.026 24.369 . . . 1.0 . . . . . . . . . . . . A . 9 DT C6 . . . . . . . . . c17885_2lia 1 . 1 . 271 . 1 1 9 DT C7 C -7.454 5.252 23.342 . . . 1.0 . . . . . . . . . . . . A . 9 DT C7 . . . . . . . . . c17885_2lia 1 . 1 . 272 . 1 1 9 DT H1' H -7.179 0.068 25.919 . . . 1.0 . . . . . . . . . . . . A . 9 DT H1' . . . . . . . . . c17885_2lia 1 . 1 . 273 . 1 1 9 DT H2' H -9.155 2.349 26.181 . . . 1.0 . . . . . . . . . . . . A . 9 DT H2' . . . . . . . . . c17885_2lia 1 . 1 . 274 . 1 1 9 DT H2'' H -8.516 1.255 27.357 . . . 1.0 . . . . . . . . . . . . A . 9 DT H2'' . . . . . . . . . c17885_2lia 1 . 1 . 275 . 1 1 9 DT H3 H -3.834 3.051 25.124 . . . 1.0 . . . . . . . . . . . . A . 9 DT H3 . . . . . . . . . c17885_2lia 1 . 1 . 276 . 1 1 9 DT H3' H -11.005 0.970 25.949 . . . 1.0 . . . . . . . . . . . . A . 9 DT H3' . . . . . . . . . c17885_2lia 1 . 1 . 277 . 1 1 9 DT H4' H -9.580 -1.354 24.909 . . . 1.0 . . . . . . . . . . . . A . 9 DT H4' . . . . . . . . . c17885_2lia 1 . 1 . 278 . 1 1 9 DT H5' H -10.366 -0.547 22.732 . . . 1.0 . . . . . . . . . . . . A . 9 DT H5' . . . . . . . . . c17885_2lia 1 . 1 . 279 . 1 1 9 DT H5'' H -11.666 -0.644 23.916 . . . 1.0 . . . . . . . . . . . . A . 9 DT H5'' . . . . . . . . . c17885_2lia 1 . 1 . 280 . 1 1 9 DT H6 H -8.564 3.009 24.247 . . . 1.0 . . . . . . . . . . . . A . 9 DT H6 . . . . . . . . . c17885_2lia 1 . 1 . 281 . 1 1 9 DT H71 H -7.253 5.317 22.273 . . . 1.0 . . . . . . . . . . . . A . 9 DT H71 . . . . . . . . . c17885_2lia 1 . 1 . 282 . 1 1 9 DT H72 H -8.521 5.124 23.525 . . . 1.0 . . . . . . . . . . . . A . 9 DT H72 . . . . . . . . . c17885_2lia 1 . 1 . 283 . 1 1 9 DT H73 H -7.162 6.173 23.847 . . . 1.0 . . . . . . . . . . . . A . 9 DT H73 . . . . . . . . . c17885_2lia 1 . 1 . 284 . 1 1 9 DT N1 N -6.912 1.946 24.972 . . . 1.0 . . . . . . . . . . . . A . 9 DT N1 . . . . . . . . . c17885_2lia 1 . 1 . 285 . 1 1 9 DT N3 N -4.812 3.025 24.874 . . . 1.0 . . . . . . . . . . . . A . 9 DT N3 . . . . . . . . . c17885_2lia 1 . 1 . 286 . 1 1 9 DT O2 O -5.035 1.117 26.057 . . . 1.0 . . . . . . . . . . . . A . 9 DT O2 . . . . . . . . . c17885_2lia 1 . 1 . 287 . 1 1 9 DT O3' O -10.226 -0.598 27.088 . . . 1.0 . . . . . . . . . . . . A . 9 DT O3' . . . . . . . . . c17885_2lia 1 . 1 . 288 . 1 1 9 DT O4 O -4.532 4.967 23.763 . . . 1.0 . . . . . . . . . . . . A . 9 DT O4 . . . . . . . . . c17885_2lia 1 . 1 . 289 . 1 1 9 DT O4' O -8.456 0.259 24.294 . . . 1.0 . . . . . . . . . . . . A . 9 DT O4' . . . . . . . . . c17885_2lia 1 . 1 . 290 . 1 1 9 DT O5' O -11.094 1.282 23.420 . . . 1.0 . . . . . . . . . . . . A . 9 DT O5' . . . . . . . . . c17885_2lia 1 . 1 . 291 . 1 1 9 DT OP1 O -13.215 0.941 22.088 . . . 1.0 . . . . . . . . . . . . A . 9 DT OP1 . . . . . . . . . c17885_2lia 1 . 1 . 292 . 1 1 9 DT OP2 O -12.075 3.213 22.116 . . . 1.0 . . . . . . . . . . . . A . 9 DT OP2 . . . . . . . . . c17885_2lia 1 . 1 . 293 . 1 1 9 DT P P -11.962 1.733 22.123 . . . 1.0 . . . . . . . . . . . . A . 9 DT P . . . . . . . . . c17885_2lia 1 . 1 . 294 . 1 1 10 DC C1' C -6.436 2.578 30.038 . . . 1.0 . . . . . . . . . . . . A . 10 DC C1' . . . . . . . . . c17885_2lia 1 . 1 . 295 . 1 1 10 DC C2 C -5.142 4.275 28.719 . . . 1.0 . . . . . . . . . . . . A . 10 DC C2 . . . . . . . . . c17885_2lia 1 . 1 . 296 . 1 1 10 DC C2' C -7.601 2.848 30.997 . . . 1.0 . . . . . . . . . . . . A . 10 DC C2' . . . . . . . . . c17885_2lia 1 . 1 . 297 . 1 1 10 DC C3' C -8.016 1.454 31.479 . . . 1.0 . . . . . . . . . . . . A . 10 DC C3' . . . . . . . . . c17885_2lia 1 . 1 . 298 . 1 1 10 DC C4 C -6.131 5.565 27.084 . . . 1.0 . . . . . . . . . . . . A . 10 DC C4 . . . . . . . . . c17885_2lia 1 . 1 . 299 . 1 1 10 DC C4' C -7.436 0.547 30.373 . . . 1.0 . . . . . . . . . . . . A . 10 DC C4' . . . . . . . . . c17885_2lia 1 . 1 . 300 . 1 1 10 DC C5 C -7.375 4.882 27.255 . . . 1.0 . . . . . . . . . . . . A . 10 DC C5 . . . . . . . . . c17885_2lia 1 . 1 . 301 . 1 1 10 DC C5' C -8.494 -0.342 29.679 . . . 1.0 . . . . . . . . . . . . A . 10 DC C5' . . . . . . . . . c17885_2lia 1 . 1 . 302 . 1 1 10 DC C6 C -7.438 3.914 28.183 . . . 1.0 . . . . . . . . . . . . A . 10 DC C6 . . . . . . . . . c17885_2lia 1 . 1 . 303 . 1 1 10 DC H1' H -5.535 2.555 30.651 . . . 1.0 . . . . . . . . . . . . A . 10 DC H1' . . . . . . . . . c17885_2lia 1 . 1 . 304 . 1 1 10 DC H2' H -8.425 3.301 30.445 . . . 1.0 . . . . . . . . . . . . A . 10 DC H2' . . . . . . . . . c17885_2lia 1 . 1 . 305 . 1 1 10 DC H2'' H -7.303 3.484 31.831 . . . 1.0 . . . . . . . . . . . . A . 10 DC H2'' . . . . . . . . . c17885_2lia 1 . 1 . 306 . 1 1 10 DC H3' H -9.102 1.396 31.537 . . . 1.0 . . . . . . . . . . . . A . 10 DC H3' . . . . . . . . . c17885_2lia 1 . 1 . 307 . 1 1 10 DC H4' H -6.711 -0.130 30.825 . . . 1.0 . . . . . . . . . . . . A . 10 DC H4' . . . . . . . . . c17885_2lia 1 . 1 . 308 . 1 1 10 DC H41 H -6.840 6.880 25.737 . . . 1.0 . . . . . . . . . . . . A . 10 DC H41 . . . . . . . . . c17885_2lia 1 . 1 . 309 . 1 1 10 DC H42 H -5.136 7.005 26.141 . . . 1.0 . . . . . . . . . . . . A . 10 DC H42 . . . . . . . . . c17885_2lia 1 . 1 . 310 . 1 1 10 DC H5 H -8.262 5.124 26.688 . . . 1.0 . . . . . . . . . . . . A . 10 DC H5 . . . . . . . . . c17885_2lia 1 . 1 . 311 . 1 1 10 DC H5' H -8.059 -0.738 28.761 . . . 1.0 . . . . . . . . . . . . A . 10 DC H5' . . . . . . . . . c17885_2lia 1 . 1 . 312 . 1 1 10 DC H5'' H -8.722 -1.174 30.344 . . . 1.0 . . . . . . . . . . . . A . 10 DC H5'' . . . . . . . . . c17885_2lia 1 . 1 . 313 . 1 1 10 DC H6 H -8.359 3.360 28.285 . . . 1.0 . . . . . . . . . . . . A . 10 DC H6 . . . . . . . . . c17885_2lia 1 . 1 . 314 . 1 1 10 DC N1 N -6.343 3.607 28.951 . . . 1.0 . . . . . . . . . . . . A . 10 DC N1 . . . . . . . . . c17885_2lia 1 . 1 . 315 . 1 1 10 DC N3 N -5.064 5.267 27.787 . . . 1.0 . . . . . . . . . . . . A . 10 DC N3 . . . . . . . . . c17885_2lia 1 . 1 . 316 . 1 1 10 DC N4 N -6.045 6.589 26.287 . . . 1.0 . . . . . . . . . . . . A . 10 DC N4 . . . . . . . . . c17885_2lia 1 . 1 . 317 . 1 1 10 DC O2 O -4.130 4.043 29.394 . . . 1.0 . . . . . . . . . . . . A . 10 DC O2 . . . . . . . . . c17885_2lia 1 . 1 . 318 . 1 1 10 DC O3' O -7.441 1.038 32.723 . . . 1.0 . . . . . . . . . . . . A . 10 DC O3' . . . . . . . . . c17885_2lia 1 . 1 . 319 . 1 1 10 DC O4' O -6.728 1.323 29.448 . . . 1.0 . . . . . . . . . . . . A . 10 DC O4' . . . . . . . . . c17885_2lia 1 . 1 . 320 . 1 1 10 DC O5' O -9.654 0.392 29.322 . . . 1.0 . . . . . . . . . . . . A . 10 DC O5' . . . . . . . . . c17885_2lia 1 . 1 . 321 . 1 1 10 DC OP1 O -11.221 -1.567 29.175 . . . 1.0 . . . . . . . . . . . . A . 10 DC OP1 . . . . . . . . . c17885_2lia 1 . 1 . 322 . 1 1 10 DC OP2 O -11.939 0.746 28.367 . . . 1.0 . . . . . . . . . . . . A . 10 DC OP2 . . . . . . . . . c17885_2lia 1 . 1 . 323 . 1 1 10 DC P P -10.871 -0.278 28.526 . . . 1.0 . . . . . . . . . . . . A . 10 DC P . . . . . . . . . c17885_2lia 1 . 1 . 324 . 1 1 11 DT C1' C -4.531 5.954 32.473 . . . 1.0 . . . . . . . . . . . . A . 11 DT C1' . . . . . . . . . c17885_2lia 1 . 1 . 325 . 1 1 11 DT C2 C -4.490 7.531 30.545 . . . 1.0 . . . . . . . . . . . . A . 11 DT C2 . . . . . . . . . c17885_2lia 1 . 1 . 326 . 1 1 11 DT C2' C -5.024 6.580 33.777 . . . 1.0 . . . . . . . . . . . . A . 11 DT C2' . . . . . . . . . c17885_2lia 1 . 1 . 327 . 1 1 11 DT C3' C -5.394 5.403 34.669 . . . 1.0 . . . . . . . . . . . . A . 11 DT C3' . . . . . . . . . c17885_2lia 1 . 1 . 328 . 1 1 11 DT C4 C -6.535 8.069 29.300 . . . 1.0 . . . . . . . . . . . . A . 11 DT C4 . . . . . . . . . c17885_2lia 1 . 1 . 329 . 1 1 11 DT C4' C -4.776 4.229 33.930 . . . 1.0 . . . . . . . . . . . . A . 11 DT C4' . . . . . . . . . c17885_2lia 1 . 1 . 330 . 1 1 11 DT C5 C -7.243 7.068 30.121 . . . 1.0 . . . . . . . . . . . . A . 11 DT C5 . . . . . . . . . c17885_2lia 1 . 1 . 331 . 1 1 11 DT C5' C -5.472 2.888 34.211 . . . 1.0 . . . . . . . . . . . . A . 11 DT C5' . . . . . . . . . c17885_2lia 1 . 1 . 332 . 1 1 11 DT C6 C -6.559 6.365 31.061 . . . 1.0 . . . . . . . . . . . . A . 11 DT C6 . . . . . . . . . c17885_2lia 1 . 1 . 333 . 1 1 11 DT C7 C -8.730 6.855 29.946 . . . 1.0 . . . . . . . . . . . . A . 11 DT C7 . . . . . . . . . c17885_2lia 1 . 1 . 334 . 1 1 11 DT H1' H -3.452 6.096 32.410 . . . 1.0 . . . . . . . . . . . . A . 11 DT H1' . . . . . . . . . c17885_2lia 1 . 1 . 335 . 1 1 11 DT H2' H -5.938 7.151 33.615 . . . 1.0 . . . . . . . . . . . . A . 11 DT H2' . . . . . . . . . c17885_2lia 1 . 1 . 336 . 1 1 11 DT H2'' H -4.231 7.204 34.190 . . . 1.0 . . . . . . . . . . . . A . 11 DT H2'' . . . . . . . . . c17885_2lia 1 . 1 . 337 . 1 1 11 DT H3 H -4.690 8.929 29.099 . . . 1.0 . . . . . . . . . . . . A . 11 DT H3 . . . . . . . . . c17885_2lia 1 . 1 . 338 . 1 1 11 DT H3' H -6.476 5.279 34.639 . . . 1.0 . . . . . . . . . . . . A . 11 DT H3' . . . . . . . . . c17885_2lia 1 . 1 . 339 . 1 1 11 DT H4' H -3.724 4.169 34.207 . . . 1.0 . . . . . . . . . . . . A . 11 DT H4' . . . . . . . . . c17885_2lia 1 . 1 . 340 . 1 1 11 DT H5' H -5.141 2.185 33.447 . . . 1.0 . . . . . . . . . . . . A . 11 DT H5' . . . . . . . . . c17885_2lia 1 . 1 . 341 . 1 1 11 DT H5'' H -5.122 2.519 35.176 . . . 1.0 . . . . . . . . . . . . A . 11 DT H5'' . . . . . . . . . c17885_2lia 1 . 1 . 342 . 1 1 11 DT H6 H -7.053 5.629 31.678 . . . 1.0 . . . . . . . . . . . . A . 11 DT H6 . . . . . . . . . c17885_2lia 1 . 1 . 343 . 1 1 11 DT H71 H -9.049 5.982 30.516 . . . 1.0 . . . . . . . . . . . . A . 11 DT H71 . . . . . . . . . c17885_2lia 1 . 1 . 344 . 1 1 11 DT H72 H -9.277 7.722 30.316 . . . 1.0 . . . . . . . . . . . . A . 11 DT H72 . . . . . . . . . c17885_2lia 1 . 1 . 345 . 1 1 11 DT H73 H -8.962 6.749 28.886 . . . 1.0 . . . . . . . . . . . . A . 11 DT H73 . . . . . . . . . c17885_2lia 1 . 1 . 346 . 1 1 11 DT N1 N -5.209 6.587 31.284 . . . 1.0 . . . . . . . . . . . . A . 11 DT N1 . . . . . . . . . c17885_2lia 1 . 1 . 347 . 1 1 11 DT N3 N -5.208 8.226 29.607 . . . 1.0 . . . . . . . . . . . . A . 11 DT N3 . . . . . . . . . c17885_2lia 1 . 1 . 348 . 1 1 11 DT O2 O -3.300 7.832 30.760 . . . 1.0 . . . . . . . . . . . . A . 11 DT O2 . . . . . . . . . c17885_2lia 1 . 1 . 349 . 1 1 11 DT O3' O -4.909 5.516 36.007 . . . 1.0 . . . . . . . . . . . . A . 11 DT O3' . . . . . . . . . c17885_2lia 1 . 1 . 350 . 1 1 11 DT O4 O -7.004 8.795 28.411 . . . 1.0 . . . . . . . . . . . . A . 11 DT O4 . . . . . . . . . c17885_2lia 1 . 1 . 351 . 1 1 11 DT O4' O -4.841 4.563 32.551 . . . 1.0 . . . . . . . . . . . . A . 11 DT O4' . . . . . . . . . c17885_2lia 1 . 1 . 352 . 1 1 11 DT O5' O -6.895 2.968 34.208 . . . 1.0 . . . . . . . . . . . . A . 11 DT O5' . . . . . . . . . c17885_2lia 1 . 1 . 353 . 1 1 11 DT OP1 O -7.357 0.700 35.208 . . . 1.0 . . . . . . . . . . . . A . 11 DT OP1 . . . . . . . . . c17885_2lia 1 . 1 . 354 . 1 1 11 DT OP2 O -9.254 2.067 34.130 . . . 1.0 . . . . . . . . . . . . A . 11 DT OP2 . . . . . . . . . c17885_2lia 1 . 1 . 355 . 1 1 11 DT P P -7.821 1.638 34.149 . . . 1.0 . . . . . . . . . . . . A . 11 DT P . . . . . . . . . c17885_2lia 1 . 1 . 356 . 1 1 12 DC C1' C -2.679 10.050 34.083 . . . 1.0 . . . . . . . . . . . . A . 12 DC C1' . . . . . . . . . c17885_2lia 1 . 1 . 357 . 1 1 12 DC C2 C -3.804 10.943 32.061 . . . 1.0 . . . . . . . . . . . . A . 12 DC C2 . . . . . . . . . c17885_2lia 1 . 1 . 358 . 1 1 12 DC C2' C -2.557 11.166 35.136 . . . 1.0 . . . . . . . . . . . . A . 12 DC C2' . . . . . . . . . c17885_2lia 1 . 1 . 359 . 1 1 12 DC C3' C -3.044 10.517 36.437 . . . 1.0 . . . . . . . . . . . . A . 12 DC C3' . . . . . . . . . c17885_2lia 1 . 1 . 360 . 1 1 12 DC C4 C -6.074 10.843 31.763 . . . 1.0 . . . . . . . . . . . . A . 12 DC C4 . . . . . . . . . c17885_2lia 1 . 1 . 361 . 1 1 12 DC C4' C -2.523 9.097 36.209 . . . 1.0 . . . . . . . . . . . . A . 12 DC C4' . . . . . . . . . c17885_2lia 1 . 1 . 362 . 1 1 12 DC C5 C -6.265 10.158 32.994 . . . 1.0 . . . . . . . . . . . . A . 12 DC C5 . . . . . . . . . c17885_2lia 1 . 1 . 363 . 1 1 12 DC C5' C -3.225 7.992 37.017 . . . 1.0 . . . . . . . . . . . . A . 12 DC C5' . . . . . . . . . c17885_2lia 1 . 1 . 364 . 1 1 12 DC C6 C -5.162 9.879 33.735 . . . 1.0 . . . . . . . . . . . . A . 12 DC C6 . . . . . . . . . c17885_2lia 1 . 1 . 365 . 1 1 12 DC H1' H -1.824 10.031 33.407 . . . 1.0 . . . . . . . . . . . . A . 12 DC H1' . . . . . . . . . c17885_2lia 1 . 1 . 366 . 1 1 12 DC H2' H -3.157 12.037 34.873 . . . 1.0 . . . . . . . . . . . . A . 12 DC H2' . . . . . . . . . c17885_2lia 1 . 1 . 367 . 1 1 12 DC H2'' H -1.508 11.445 35.241 . . . 1.0 . . . . . . . . . . . . A . 12 DC H2'' . . . . . . . . . c17885_2lia 1 . 1 . 368 . 1 1 12 DC H3' H -4.133 10.491 36.465 . . . 1.0 . . . . . . . . . . . . A . 12 DC H3' . . . . . . . . . c17885_2lia 1 . 1 . 369 . 1 1 12 DC H4' H -1.468 9.060 36.480 . . . 1.0 . . . . . . . . . . . . A . 12 DC H4' . . . . . . . . . c17885_2lia 1 . 1 . 370 . 1 1 12 DC H41 H -8.018 10.991 31.284 . . . 1.0 . . . . . . . . . . . . A . 12 DC H41 . . . . . . . . . c17885_2lia 1 . 1 . 371 . 1 1 12 DC H42 H -6.848 11.653 30.121 . . . 1.0 . . . . . . . . . . . . A . 12 DC H42 . . . . . . . . . c17885_2lia 1 . 1 . 372 . 1 1 12 DC H5 H -7.243 9.872 33.353 . . . 1.0 . . . . . . . . . . . . A . 12 DC H5 . . . . . . . . . c17885_2lia 1 . 1 . 373 . 1 1 12 DC H5' H -2.759 7.040 36.760 . . . 1.0 . . . . . . . . . . . . A . 12 DC H5' . . . . . . . . . c17885_2lia 1 . 1 . 374 . 1 1 12 DC H5'' H -3.099 8.163 38.086 . . . 1.0 . . . . . . . . . . . . A . 12 DC H5'' . . . . . . . . . c17885_2lia 1 . 1 . 375 . 1 1 12 DC H6 H -5.248 9.365 34.682 . . . 1.0 . . . . . . . . . . . . A . 12 DC H6 . . . . . . . . . c17885_2lia 1 . 1 . 376 . 1 1 12 DC HO3' H -2.738 12.060 37.612 . . . 1.0 . . . . . . . . . . . . A . 12 DC HO3' . . . . . . . . . c17885_2lia 1 . 1 . 377 . 1 1 12 DC N1 N -3.918 10.218 33.266 . . . 1.0 . . . . . . . . . . . . A . 12 DC N1 . . . . . . . . . c17885_2lia 1 . 1 . 378 . 1 1 12 DC N3 N -4.895 11.241 31.329 . . . 1.0 . . . . . . . . . . . . A . 12 DC N3 . . . . . . . . . c17885_2lia 1 . 1 . 379 . 1 1 12 DC N4 N -7.072 11.199 30.995 . . . 1.0 . . . . . . . . . . . . A . 12 DC N4 . . . . . . . . . c17885_2lia 1 . 1 . 380 . 1 1 12 DC O2 O -2.725 11.368 31.635 . . . 1.0 . . . . . . . . . . . . A . 12 DC O2 . . . . . . . . . c17885_2lia 1 . 1 . 381 . 1 1 12 DC O3' O -2.465 11.141 37.581 . . . 1.0 . . . . . . . . . . . . A . 12 DC O3' . . . . . . . . . c17885_2lia 1 . 1 . 382 . 1 1 12 DC O4' O -2.682 8.834 34.816 . . . 1.0 . . . . . . . . . . . . A . 12 DC O4' . . . . . . . . . c17885_2lia 1 . 1 . 383 . 1 1 12 DC O5' O -4.628 7.908 36.745 . . . 1.0 . . . . . . . . . . . . A . 12 DC O5' . . . . . . . . . c17885_2lia 1 . 1 . 384 . 1 1 12 DC OP1 O -5.115 6.099 38.432 . . . 1.0 . . . . . . . . . . . . A . 12 DC OP1 . . . . . . . . . c17885_2lia 1 . 1 . 385 . 1 1 12 DC OP2 O -6.915 6.848 36.776 . . . 1.0 . . . . . . . . . . . . A . 12 DC OP2 . . . . . . . . . c17885_2lia 1 . 1 . 386 . 1 1 12 DC P P -5.485 6.584 37.081 . . . 1.0 . . . . . . . . . . . . A . 12 DC P . . . . . . . . . c17885_2lia 1 . 1 . 387 . 2 1 1 DG C1' C -2.992 16.704 25.670 . . . 1.0 . . . . . . . . . . . . B . 13 DG C1' . . . . . . . . . c17885_2lia 1 . 1 . 388 . 2 1 1 DG C2 C -3.220 13.912 29.071 . . . 1.0 . . . . . . . . . . . . B . 13 DG C2 . . . . . . . . . c17885_2lia 1 . 1 . 389 . 2 1 1 DG C2' C -2.731 16.641 24.169 . . . 1.0 . . . . . . . . . . . . B . 13 DG C2' . . . . . . . . . c17885_2lia 1 . 1 . 390 . 2 1 1 DG C3' C -2.391 18.077 23.811 . . . 1.0 . . . . . . . . . . . . B . 13 DG C3' . . . . . . . . . c17885_2lia 1 . 1 . 391 . 2 1 1 DG C4 C -4.000 14.917 27.197 . . . 1.0 . . . . . . . . . . . . B . 13 DG C4 . . . . . . . . . c17885_2lia 1 . 1 . 392 . 2 1 1 DG C4' C -3.210 18.871 24.845 . . . 1.0 . . . . . . . . . . . . B . 13 DG C4' . . . . . . . . . c17885_2lia 1 . 1 . 393 . 2 1 1 DG C5 C -5.204 14.232 27.219 . . . 1.0 . . . . . . . . . . . . B . 13 DG C5 . . . . . . . . . c17885_2lia 1 . 1 . 394 . 2 1 1 DG C5' C -4.549 19.370 24.297 . . . 1.0 . . . . . . . . . . . . B . 13 DG C5' . . . . . . . . . c17885_2lia 1 . 1 . 395 . 2 1 1 DG C6 C -5.432 13.318 28.326 . . . 1.0 . . . . . . . . . . . . B . 13 DG C6 . . . . . . . . . c17885_2lia 1 . 1 . 396 . 2 1 1 DG C8 C -5.284 15.528 25.521 . . . 1.0 . . . . . . . . . . . . B . 13 DG C8 . . . . . . . . . c17885_2lia 1 . 1 . 397 . 2 1 1 DG H1 H -4.447 12.529 29.949 . . . 1.0 . . . . . . . . . . . . B . 13 DG H1 . . . . . . . . . c17885_2lia 1 . 1 . 398 . 2 1 1 DG H1' H -2.062 16.426 26.166 . . . 1.0 . . . . . . . . . . . . B . 13 DG H1' . . . . . . . . . c17885_2lia 1 . 1 . 399 . 2 1 1 DG H2' H -3.613 16.346 23.600 . . . 1.0 . . . . . . . . . . . . B . 13 DG H2' . . . . . . . . . c17885_2lia 1 . 1 . 400 . 2 1 1 DG H2'' H -1.909 15.955 23.961 . . . 1.0 . . . . . . . . . . . . B . 13 DG H2'' . . . . . . . . . c17885_2lia 1 . 1 . 401 . 2 1 1 DG H21 H -1.431 14.227 29.881 . . . 1.0 . . . . . . . . . . . . B . 13 DG H21 . . . . . . . . . c17885_2lia 1 . 1 . 402 . 2 1 1 DG H22 H -2.390 12.978 30.653 . . . 1.0 . . . . . . . . . . . . B . 13 DG H22 . . . . . . . . . c17885_2lia 1 . 1 . 403 . 2 1 1 DG H3' H -2.697 18.312 22.792 . . . 1.0 . . . . . . . . . . . . B . 13 DG H3' . . . . . . . . . c17885_2lia 1 . 1 . 404 . 2 1 1 DG H4' H -2.652 19.770 25.106 . . . 1.0 . . . . . . . . . . . . B . 13 DG H4' . . . . . . . . . c17885_2lia 1 . 1 . 405 . 2 1 1 DG H5' H -5.096 19.802 25.134 . . . 1.0 . . . . . . . . . . . . B . 13 DG H5' . . . . . . . . . c17885_2lia 1 . 1 . 406 . 2 1 1 DG H5'' H -4.329 20.154 23.572 . . . 1.0 . . . . . . . . . . . . B . 13 DG H5'' . . . . . . . . . c17885_2lia 1 . 1 . 407 . 2 1 1 DG H8 H -5.627 16.075 24.655 . . . 1.0 . . . . . . . . . . . . B . 13 DG H8 . . . . . . . . . c17885_2lia 1 . 1 . 408 . 2 1 1 DG HO5' H -6.218 18.727 23.509 . . . 1.0 . . . . . . . . . . . . B . 13 DG HO5' . . . . . . . . . c17885_2lia 1 . 1 . 409 . 2 1 1 DG N1 N -4.365 13.205 29.203 . . . 1.0 . . . . . . . . . . . . B . 13 DG N1 . . . . . . . . . c17885_2lia 1 . 1 . 410 . 2 1 1 DG N2 N -2.296 13.715 29.969 . . . 1.0 . . . . . . . . . . . . B . 13 DG N2 . . . . . . . . . c17885_2lia 1 . 1 . 411 . 2 1 1 DG N3 N -2.967 14.785 28.085 . . . 1.0 . . . . . . . . . . . . B . 13 DG N3 . . . . . . . . . c17885_2lia 1 . 1 . 412 . 2 1 1 DG N7 N -6.017 14.650 26.142 . . . 1.0 . . . . . . . . . . . . B . 13 DG N7 . . . . . . . . . c17885_2lia 1 . 1 . 413 . 2 1 1 DG N9 N -4.048 15.740 26.086 . . . 1.0 . . . . . . . . . . . . B . 13 DG N9 . . . . . . . . . c17885_2lia 1 . 1 . 414 . 2 1 1 DG O3' O -1.028 18.413 24.016 . . . 1.0 . . . . . . . . . . . . B . 13 DG O3' . . . . . . . . . c17885_2lia 1 . 1 . 415 . 2 1 1 DG O4' O -3.387 18.035 26.000 . . . 1.0 . . . . . . . . . . . . B . 13 DG O4' . . . . . . . . . c17885_2lia 1 . 1 . 416 . 2 1 1 DG O5' O -5.342 18.370 23.672 . . . 1.0 . . . . . . . . . . . . B . 13 DG O5' . . . . . . . . . c17885_2lia 1 . 1 . 417 . 2 1 1 DG O6 O -6.447 12.654 28.586 . . . 1.0 . . . . . . . . . . . . B . 13 DG O6 . . . . . . . . . c17885_2lia 1 . 1 . 418 . 2 1 2 DA C1' C -0.003 13.229 26.273 . . . 1.0 . . . . . . . . . . . . B . 14 DA C1' . . . . . . . . . c17885_2lia 1 . 1 . 419 . 2 1 2 DA C2 C -2.465 10.387 28.502 . . . 1.0 . . . . . . . . . . . . B . 14 DA C2 . . . . . . . . . c17885_2lia 1 . 1 . 420 . 2 1 2 DA C2' C 1.132 12.844 25.324 . . . 1.0 . . . . . . . . . . . . B . 14 DA C2' . . . . . . . . . c17885_2lia 1 . 1 . 421 . 2 1 2 DA C3' C 2.028 14.089 25.309 . . . 1.0 . . . . . . . . . . . . B . 14 DA C3' . . . . . . . . . c17885_2lia 1 . 1 . 422 . 2 1 2 DA C4 C -1.935 11.638 26.754 . . . 1.0 . . . . . . . . . . . . B . 14 DA C4 . . . . . . . . . c17885_2lia 1 . 1 . 423 . 2 1 2 DA C4' C 1.136 15.156 25.966 . . . 1.0 . . . . . . . . . . . . B . 14 DA C4' . . . . . . . . . c17885_2lia 1 . 1 . 424 . 2 1 2 DA C5 C -3.124 11.386 26.116 . . . 1.0 . . . . . . . . . . . . B . 14 DA C5 . . . . . . . . . c17885_2lia 1 . 1 . 425 . 2 1 2 DA C5' C 1.119 16.511 25.245 . . . 1.0 . . . . . . . . . . . . B . 14 DA C5' . . . . . . . . . c17885_2lia 1 . 1 . 426 . 2 1 2 DA C6 C -4.013 10.569 26.854 . . . 1.0 . . . . . . . . . . . . B . 14 DA C6 . . . . . . . . . c17885_2lia 1 . 1 . 427 . 2 1 2 DA C8 C -2.059 12.707 24.851 . . . 1.0 . . . . . . . . . . . . B . 14 DA C8 . . . . . . . . . c17885_2lia 1 . 1 . 428 . 2 1 2 DA H1' H 0.282 12.973 27.293 . . . 1.0 . . . . . . . . . . . . B . 14 DA H1' . . . . . . . . . c17885_2lia 1 . 1 . 429 . 2 1 2 DA H2 H -2.220 9.972 29.468 . . . 1.0 . . . . . . . . . . . . B . 14 DA H2 . . . . . . . . . c17885_2lia 1 . 1 . 430 . 2 1 2 DA H2' H 0.739 12.702 24.317 . . . 1.0 . . . . . . . . . . . . B . 14 DA H2' . . . . . . . . . c17885_2lia 1 . 1 . 431 . 2 1 2 DA H2'' H 1.671 11.955 25.653 . . . 1.0 . . . . . . . . . . . . B . 14 DA H2'' . . . . . . . . . c17885_2lia 1 . 1 . 432 . 2 1 2 DA H3' H 2.238 14.341 24.270 . . . 1.0 . . . . . . . . . . . . B . 14 DA H3' . . . . . . . . . c17885_2lia 1 . 1 . 433 . 2 1 2 DA H4' H 1.520 15.339 26.970 . . . 1.0 . . . . . . . . . . . . B . 14 DA H4' . . . . . . . . . c17885_2lia 1 . 1 . 434 . 2 1 2 DA H5' H 0.519 17.178 25.864 . . . 1.0 . . . . . . . . . . . . B . 14 DA H5' . . . . . . . . . c17885_2lia 1 . 1 . 435 . 2 1 2 DA H5'' H 2.137 16.896 25.194 . . . 1.0 . . . . . . . . . . . . B . 14 DA H5'' . . . . . . . . . c17885_2lia 1 . 1 . 436 . 2 1 2 DA H61 H -5.583 10.580 25.593 . . . 1.0 . . . . . . . . . . . . B . 14 DA H61 . . . . . . . . . c17885_2lia 1 . 1 . 437 . 2 1 2 DA H62 H -5.823 9.748 27.138 . . . 1.0 . . . . . . . . . . . . B . 14 DA H62 . . . . . . . . . c17885_2lia 1 . 1 . 438 . 2 1 2 DA H8 H -1.742 13.313 24.016 . . . 1.0 . . . . . . . . . . . . B . 14 DA H8 . . . . . . . . . c17885_2lia 1 . 1 . 439 . 2 1 2 DA N1 N -3.670 10.104 28.046 . . . 1.0 . . . . . . . . . . . . B . 14 DA N1 . . . . . . . . . c17885_2lia 1 . 1 . 440 . 2 1 2 DA N3 N -1.525 11.146 27.955 . . . 1.0 . . . . . . . . . . . . B . 14 DA N3 . . . . . . . . . c17885_2lia 1 . 1 . 441 . 2 1 2 DA N6 N -5.248 10.272 26.495 . . . 1.0 . . . . . . . . . . . . B . 14 DA N6 . . . . . . . . . c17885_2lia 1 . 1 . 442 . 2 1 2 DA N7 N -3.193 12.053 24.881 . . . 1.0 . . . . . . . . . . . . B . 14 DA N7 . . . . . . . . . c17885_2lia 1 . 1 . 443 . 2 1 2 DA N9 N -1.261 12.524 25.947 . . . 1.0 . . . . . . . . . . . . B . 14 DA N9 . . . . . . . . . c17885_2lia 1 . 1 . 444 . 2 1 2 DA O3' O 3.223 13.929 26.056 . . . 1.0 . . . . . . . . . . . . B . 14 DA O3' . . . . . . . . . c17885_2lia 1 . 1 . 445 . 2 1 2 DA O4' O -0.152 14.617 26.105 . . . 1.0 . . . . . . . . . . . . B . 14 DA O4' . . . . . . . . . c17885_2lia 1 . 1 . 446 . 2 1 2 DA O5' O 0.552 16.453 23.936 . . . 1.0 . . . . . . . . . . . . B . 14 DA O5' . . . . . . . . . c17885_2lia 1 . 1 . 447 . 2 1 2 DA OP1 O 1.341 18.721 23.209 . . . 1.0 . . . . . . . . . . . . B . 14 DA OP1 . . . . . . . . . c17885_2lia 1 . 1 . 448 . 2 1 2 DA OP2 O -0.359 17.443 21.788 . . . 1.0 . . . . . . . . . . . . B . 14 DA OP2 . . . . . . . . . c17885_2lia 1 . 1 . 449 . 2 1 2 DA P P 0.192 17.787 23.119 . . . 1.0 . . . . . . . . . . . . B . 14 DA P . . . . . . . . . c17885_2lia 1 . 1 . 450 . 2 1 3 DG C1' C 2.244 8.572 27.467 . . . 1.0 . . . . . . . . . . . . B . 15 DG C1' . . . . . . . . . c17885_2lia 1 . 1 . 451 . 2 1 3 DG C2 C -1.431 6.379 28.371 . . . 1.0 . . . . . . . . . . . . B . 15 DG C2 . . . . . . . . . c17885_2lia 1 . 1 . 452 . 2 1 3 DG C2' C 3.481 8.388 26.597 . . . 1.0 . . . . . . . . . . . . B . 15 DG C2' . . . . . . . . . c17885_2lia 1 . 1 . 453 . 2 1 3 DG C3' C 4.576 9.001 27.509 . . . 1.0 . . . . . . . . . . . . B . 15 DG C3' . . . . . . . . . c17885_2lia 1 . 1 . 454 . 2 1 3 DG C4 C -0.119 7.738 27.126 . . . 1.0 . . . . . . . . . . . . B . 15 DG C4 . . . . . . . . . c17885_2lia 1 . 1 . 455 . 2 1 3 DG C4' C 3.795 10.095 28.239 . . . 1.0 . . . . . . . . . . . . B . 15 DG C4' . . . . . . . . . c17885_2lia 1 . 1 . 456 . 2 1 3 DG C5 C -1.116 8.037 26.222 . . . 1.0 . . . . . . . . . . . . B . 15 DG C5 . . . . . . . . . c17885_2lia 1 . 1 . 457 . 2 1 3 DG C5' C 4.183 11.496 27.722 . . . 1.0 . . . . . . . . . . . . B . 15 DG C5' . . . . . . . . . c17885_2lia 1 . 1 . 458 . 2 1 3 DG C6 C -2.413 7.421 26.428 . . . 1.0 . . . . . . . . . . . . B . 15 DG C6 . . . . . . . . . c17885_2lia 1 . 1 . 459 . 2 1 3 DG C8 C 0.610 9.090 25.537 . . . 1.0 . . . . . . . . . . . . B . 15 DG C8 . . . . . . . . . c17885_2lia 1 . 1 . 460 . 2 1 3 DG H1 H -3.358 6.114 27.681 . . . 1.0 . . . . . . . . . . . . B . 15 DG H1 . . . . . . . . . c17885_2lia 1 . 1 . 461 . 2 1 3 DG H1' H 2.275 7.786 28.222 . . . 1.0 . . . . . . . . . . . . B . 15 DG H1' . . . . . . . . . c17885_2lia 1 . 1 . 462 . 2 1 3 DG H2' H 3.400 8.946 25.663 . . . 1.0 . . . . . . . . . . . . B . 15 DG H2' . . . . . . . . . c17885_2lia 1 . 1 . 463 . 2 1 3 DG H2'' H 3.673 7.337 26.384 . . . 1.0 . . . . . . . . . . . . B . 15 DG H2'' . . . . . . . . . c17885_2lia 1 . 1 . 464 . 2 1 3 DG H21 H -0.797 5.295 29.918 . . . 1.0 . . . . . . . . . . . . B . 15 DG H21 . . . . . . . . . c17885_2lia 1 . 1 . 465 . 2 1 3 DG H22 H -2.441 4.941 29.394 . . . 1.0 . . . . . . . . . . . . B . 15 DG H22 . . . . . . . . . c17885_2lia 1 . 1 . 466 . 2 1 3 DG H3' H 5.401 9.387 26.911 . . . 1.0 . . . . . . . . . . . . B . 15 DG H3' . . . . . . . . . c17885_2lia 1 . 1 . 467 . 2 1 3 DG H4' H 4.024 10.057 29.304 . . . 1.0 . . . . . . . . . . . . B . 15 DG H4' . . . . . . . . . c17885_2lia 1 . 1 . 468 . 2 1 3 DG H5' H 3.529 12.253 28.154 . . . 1.0 . . . . . . . . . . . . B . 15 DG H5' . . . . . . . . . c17885_2lia 1 . 1 . 469 . 2 1 3 DG H5'' H 5.190 11.743 28.059 . . . 1.0 . . . . . . . . . . . . B . 15 DG H5'' . . . . . . . . . c17885_2lia 1 . 1 . 470 . 2 1 3 DG H8 H 1.292 9.710 24.975 . . . 1.0 . . . . . . . . . . . . B . 15 DG H8 . . . . . . . . . c17885_2lia 1 . 1 . 471 . 2 1 3 DG N1 N -2.475 6.582 27.533 . . . 1.0 . . . . . . . . . . . . B . 15 DG N1 . . . . . . . . . c17885_2lia 1 . 1 . 472 . 2 1 3 DG N2 N -1.583 5.467 29.308 . . . 1.0 . . . . . . . . . . . . B . 15 DG N2 . . . . . . . . . c17885_2lia 1 . 1 . 473 . 2 1 3 DG N3 N -0.222 6.923 28.229 . . . 1.0 . . . . . . . . . . . . B . 15 DG N3 . . . . . . . . . c17885_2lia 1 . 1 . 474 . 2 1 3 DG N7 N -0.644 8.912 25.216 . . . 1.0 . . . . . . . . . . . . B . 15 DG N7 . . . . . . . . . c17885_2lia 1 . 1 . 475 . 2 1 3 DG N9 N 0.972 8.476 26.718 . . . 1.0 . . . . . . . . . . . . B . 15 DG N9 . . . . . . . . . c17885_2lia 1 . 1 . 476 . 2 1 3 DG O3' O 5.057 8.044 28.443 . . . 1.0 . . . . . . . . . . . . B . 15 DG O3' . . . . . . . . . c17885_2lia 1 . 1 . 477 . 2 1 3 DG O4' O 2.399 9.841 28.102 . . . 1.0 . . . . . . . . . . . . B . 15 DG O4' . . . . . . . . . c17885_2lia 1 . 1 . 478 . 2 1 3 DG O5' O 4.117 11.597 26.309 . . . 1.0 . . . . . . . . . . . . B . 15 DG O5' . . . . . . . . . c17885_2lia 1 . 1 . 479 . 2 1 3 DG O6 O -3.445 7.539 25.787 . . . 1.0 . . . . . . . . . . . . B . 15 DG O6 . . . . . . . . . c17885_2lia 1 . 1 . 480 . 2 1 3 DG OP1 O 5.719 13.479 26.103 . . . 1.0 . . . . . . . . . . . . B . 15 DG OP1 . . . . . . . . . c17885_2lia 1 . 1 . 481 . 2 1 3 DG OP2 O 4.322 12.744 24.091 . . . 1.0 . . . . . . . . . . . . B . 15 DG OP2 . . . . . . . . . c17885_2lia 1 . 1 . 482 . 2 1 3 DG P P 4.444 12.966 25.557 . . . 1.0 . . . . . . . . . . . . B . 15 DG P . . . . . . . . . c17885_2lia 1 . 1 . 483 . 2 1 4 DA C1' C 2.567 3.005 27.919 . . . 1.0 . . . . . . . . . . . . B . 16 DA C1' . . . . . . . . . c17885_2lia 1 . 1 . 484 . 2 1 4 DA C2 C -1.680 2.781 26.862 . . . 1.0 . . . . . . . . . . . . B . 16 DA C2 . . . . . . . . . c17885_2lia 1 . 1 . 485 . 2 1 4 DA C2' C 3.975 2.668 27.450 . . . 1.0 . . . . . . . . . . . . B . 16 DA C2' . . . . . . . . . c17885_2lia 1 . 1 . 486 . 2 1 4 DA C3' C 4.804 2.669 28.728 . . . 1.0 . . . . . . . . . . . . B . 16 DA C3' . . . . . . . . . c17885_2lia 1 . 1 . 487 . 2 1 4 DA C4 C 0.399 3.590 26.725 . . . 1.0 . . . . . . . . . . . . B . 16 DA C4 . . . . . . . . . c17885_2lia 1 . 1 . 488 . 2 1 4 DA C4' C 4.041 3.735 29.556 . . . 1.0 . . . . . . . . . . . . B . 16 DA C4' . . . . . . . . . c17885_2lia 1 . 1 . 489 . 2 1 4 DA C5 C 0.087 4.424 25.683 . . . 1.0 . . . . . . . . . . . . B . 16 DA C5 . . . . . . . . . c17885_2lia 1 . 1 . 490 . 2 1 4 DA C5' C 4.737 5.101 29.530 . . . 1.0 . . . . . . . . . . . . B . 16 DA C5' . . . . . . . . . c17885_2lia 1 . 1 . 491 . 2 1 4 DA C6 C -1.264 4.334 25.257 . . . 1.0 . . . . . . . . . . . . B . 16 DA C6 . . . . . . . . . c17885_2lia 1 . 1 . 492 . 2 1 4 DA C8 C 2.152 4.724 26.029 . . . 1.0 . . . . . . . . . . . . B . 16 DA C8 . . . . . . . . . c17885_2lia 1 . 1 . 493 . 2 1 4 DA H1' H 2.073 2.057 28.132 . . . 1.0 . . . . . . . . . . . . B . 16 DA H1' . . . . . . . . . c17885_2lia 1 . 1 . 494 . 2 1 4 DA H2 H -2.401 2.124 27.326 . . . 1.0 . . . . . . . . . . . . B . 16 DA H2 . . . . . . . . . c17885_2lia 1 . 1 . 495 . 2 1 4 DA H2' H 4.365 3.432 26.778 . . . 1.0 . . . . . . . . . . . . B . 16 DA H2' . . . . . . . . . c17885_2lia 1 . 1 . 496 . 2 1 4 DA H2'' H 4.028 1.711 26.931 . . . 1.0 . . . . . . . . . . . . B . 16 DA H2'' . . . . . . . . . c17885_2lia 1 . 1 . 497 . 2 1 4 DA H3' H 5.820 2.991 28.500 . . . 1.0 . . . . . . . . . . . . B . 16 DA H3' . . . . . . . . . c17885_2lia 1 . 1 . 498 . 2 1 4 DA H4' H 4.015 3.418 30.599 . . . 1.0 . . . . . . . . . . . . B . 16 DA H4' . . . . . . . . . c17885_2lia 1 . 1 . 499 . 2 1 4 DA H5' H 4.087 5.828 30.017 . . . 1.0 . . . . . . . . . . . . B . 16 DA H5' . . . . . . . . . c17885_2lia 1 . 1 . 500 . 2 1 4 DA H5'' H 5.641 5.012 30.132 . . . 1.0 . . . . . . . . . . . . B . 16 DA H5'' . . . . . . . . . c17885_2lia 1 . 1 . 501 . 2 1 4 DA H61 H -1.165 5.668 23.737 . . . 1.0 . . . . . . . . . . . . B . 16 DA H61 . . . . . . . . . c17885_2lia 1 . 1 . 502 . 2 1 4 DA H62 H -2.749 5.016 24.007 . . . 1.0 . . . . . . . . . . . . B . 16 DA H62 . . . . . . . . . c17885_2lia 1 . 1 . 503 . 2 1 4 DA H8 H 3.167 5.090 25.987 . . . 1.0 . . . . . . . . . . . . B . 16 DA H8 . . . . . . . . . c17885_2lia 1 . 1 . 504 . 2 1 4 DA N1 N -2.114 3.502 25.838 . . . 1.0 . . . . . . . . . . . . B . 16 DA N1 . . . . . . . . . c17885_2lia 1 . 1 . 505 . 2 1 4 DA N3 N -0.433 2.712 27.351 . . . 1.0 . . . . . . . . . . . . B . 16 DA N3 . . . . . . . . . c17885_2lia 1 . 1 . 506 . 2 1 4 DA N6 N -1.773 5.059 24.266 . . . 1.0 . . . . . . . . . . . . B . 16 DA N6 . . . . . . . . . c17885_2lia 1 . 1 . 507 . 2 1 4 DA N7 N 1.205 5.143 25.229 . . . 1.0 . . . . . . . . . . . . B . 16 DA N7 . . . . . . . . . c17885_2lia 1 . 1 . 508 . 2 1 4 DA N9 N 1.754 3.764 26.938 . . . 1.0 . . . . . . . . . . . . B . 16 DA N9 . . . . . . . . . c17885_2lia 1 . 1 . 509 . 2 1 4 DA O3' O 4.824 1.449 29.485 . . . 1.0 . . . . . . . . . . . . B . 16 DA O3' . . . . . . . . . c17885_2lia 1 . 1 . 510 . 2 1 4 DA O4' O 2.693 3.820 29.069 . . . 1.0 . . . . . . . . . . . . B . 16 DA O4' . . . . . . . . . c17885_2lia 1 . 1 . 511 . 2 1 4 DA O5' O 5.115 5.553 28.238 . . . 1.0 . . . . . . . . . . . . B . 16 DA O5' . . . . . . . . . c17885_2lia 1 . 1 . 512 . 2 1 4 DA OP1 O 7.155 6.838 29.030 . . . 1.0 . . . . . . . . . . . . B . 16 DA OP1 . . . . . . . . . c17885_2lia 1 . 1 . 513 . 2 1 4 DA OP2 O 6.363 6.950 26.612 . . . 1.0 . . . . . . . . . . . . B . 16 DA OP2 . . . . . . . . . c17885_2lia 1 . 1 . 514 . 2 1 4 DA P P 6.040 6.853 28.050 . . . 1.0 . . . . . . . . . . . . B . 16 DA P . . . . . . . . . c17885_2lia 1 . 1 . 515 . 2 1 5 . C1' C 0.691 -1.113 26.675 . . . 1.0 . . . . . . . . . . . . B . 17 2LA C1' . . . . . . . . . c17885_2lia 1 . 1 . 516 . 2 1 5 . C10 C 2.402 2.448 23.477 . . . 1.0 . . . . . . . . . . . . B . 17 2LA C10 . . . . . . . . . c17885_2lia 1 . 1 . 517 . 2 1 5 . C2 C -2.423 0.102 23.928 . . . 1.0 . . . . . . . . . . . . B . 17 2LA C2 . . . . . . . . . c17885_2lia 1 . 1 . 518 . 2 1 5 . C2' C 1.531 -2.314 26.265 . . . 1.0 . . . . . . . . . . . . B . 17 2LA C2' . . . . . . . . . c17885_2lia 1 . 1 . 519 . 2 1 5 . C3' C 2.119 -2.823 27.586 . . . 1.0 . . . . . . . . . . . . B . 17 2LA C3' . . . . . . . . . c17885_2lia 1 . 1 . 520 . 2 1 5 . C4 C -0.415 0.211 24.818 . . . 1.0 . . . . . . . . . . . . B . 17 2LA C4 . . . . . . . . . c17885_2lia 1 . 1 . 521 . 2 1 5 . C4' C 1.869 -1.651 28.555 . . . 1.0 . . . . . . . . . . . . B . 17 2LA C4' . . . . . . . . . c17885_2lia 1 . 1 . 522 . 2 1 5 . C5 C 0.011 1.180 23.950 . . . 1.0 . . . . . . . . . . . . B . 17 2LA C5 . . . . . . . . . c17885_2lia 1 . 1 . 523 . 2 1 5 . C5' C 3.115 -1.154 29.259 . . . 1.0 . . . . . . . . . . . . B . 17 2LA C5' . . . . . . . . . c17885_2lia 1 . 1 . 524 . 2 1 5 . C6 C -0.912 1.685 22.986 . . . 1.0 . . . . . . . . . . . . B . 17 2LA C6 . . . . . . . . . c17885_2lia 1 . 1 . 525 . 2 1 5 . C7 C 1.369 1.552 24.139 . . . 1.0 . . . . . . . . . . . . B . 17 2LA C7 . . . . . . . . . c17885_2lia 1 . 1 . 526 . 2 1 5 . C8 C 1.698 0.688 25.169 . . . 1.0 . . . . . . . . . . . . B . 17 2LA C8 . . . . . . . . . c17885_2lia 1 . 1 . 527 . 2 1 5 . H1' H -0.324 -1.438 26.903 . . . 1.0 . . . . . . . . . . . . B . 17 2LA H1' . . . . . . . . . c17885_2lia 1 . 1 . 528 . 2 1 5 . H10 H 3.075 2.828 24.245 . . . 1.0 . . . . . . . . . . . . B . 17 2LA H10 . . . . . . . . . c17885_2lia 1 . 1 . 529 . 2 1 5 . H10A H 3.010 1.810 22.836 . . . 1.0 . . . . . . . . . . . . B . 17 2LA H10A . . . . . . . . . c17885_2lia 1 . 1 . 530 . 2 1 5 . H111 H 1.035 3.260 22.147 . . . 1.0 . . . . . . . . . . . . B . 17 2LA H111 . . . . . . . . . c17885_2lia 1 . 1 . 531 . 2 1 5 . H12' H 2.347 -2.013 25.608 . . . 1.0 . . . . . . . . . . . . B . 17 2LA H12' . . . . . . . . . c17885_2lia 1 . 1 . 532 . 2 1 5 . H15' H 2.815 -0.321 29.895 . . . 1.0 . . . . . . . . . . . . B . 17 2LA H15' . . . . . . . . . c17885_2lia 1 . 1 . 533 . 2 1 5 . H1N1 H -2.831 1.432 22.431 . . . 1.0 . . . . . . . . . . . . B . 17 2LA H1N1 . . . . . . . . . c17885_2lia 1 . 1 . 534 . 2 1 5 . H22' H 0.903 -3.045 25.756 . . . 1.0 . . . . . . . . . . . . B . 17 2LA H22' . . . . . . . . . c17885_2lia 1 . 1 . 535 . 2 1 5 . H25' H 3.539 -1.941 29.883 . . . 1.0 . . . . . . . . . . . . B . 17 2LA H25' . . . . . . . . . c17885_2lia 1 . 1 . 536 . 2 1 5 . H3' H 3.193 -2.978 27.480 . . . 1.0 . . . . . . . . . . . . B . 17 2LA H3' . . . . . . . . . c17885_2lia 1 . 1 . 537 . 2 1 5 . H4' H 1.185 -2.030 29.315 . . . 1.0 . . . . . . . . . . . . B . 17 2LA H4' . . . . . . . . . c17885_2lia 1 . 1 . 538 . 2 1 5 . H8 H 2.689 0.672 25.597 . . . 1.0 . . . . . . . . . . . . B . 17 2LA H8 . . . . . . . . . c17885_2lia 1 . 1 . 539 . 2 1 5 . HN11 H 2.505 3.985 22.089 . . . 1.0 . . . . . . . . . . . . B . 17 2LA HN11 . . . . . . . . . c17885_2lia 1 . 1 . 540 . 2 1 5 . HN1A H 1.493 4.283 23.350 . . . 1.0 . . . . . . . . . . . . B . 17 2LA HN1A . . . . . . . . . c17885_2lia 1 . 1 . 541 . 2 1 5 . HN2 H -3.831 -1.224 24.421 . . . 1.0 . . . . . . . . . . . . B . 17 2LA HN2 . . . . . . . . . c17885_2lia 1 . 1 . 542 . 2 1 5 . HN2A H -4.209 -0.157 23.060 . . . 1.0 . . . . . . . . . . . . B . 17 2LA HN2A . . . . . . . . . c17885_2lia 1 . 1 . 543 . 2 1 5 . N1 N -2.123 1.080 23.061 . . . 1.0 . . . . . . . . . . . . B . 17 2LA N1 . . . . . . . . . c17885_2lia 1 . 1 . 544 . 2 1 5 . N11 N 1.816 3.576 22.704 . . . 1.0 . . . . . . . . . . . . B . 17 2LA N11 . . . . . . . . . c17885_2lia 1 . 1 . 545 . 2 1 5 . N2 N -3.578 -0.490 23.775 . . . 1.0 . . . . . . . . . . . . B . 17 2LA N2 . . . . . . . . . c17885_2lia 1 . 1 . 546 . 2 1 5 . N3 N -1.624 -0.374 24.857 . . . 1.0 . . . . . . . . . . . . B . 17 2LA N3 . . . . . . . . . c17885_2lia 1 . 1 . 547 . 2 1 5 . N9 N 0.666 -0.099 25.607 . . . 1.0 . . . . . . . . . . . . B . 17 2LA N9 . . . . . . . . . c17885_2lia 1 . 1 . 548 . 2 1 5 . O3' O 1.432 -3.969 28.094 . . . 1.0 . . . . . . . . . . . . B . 17 2LA O3' . . . . . . . . . c17885_2lia 1 . 1 . 549 . 2 1 5 . O4' O 1.265 -0.578 27.856 . . . 1.0 . . . . . . . . . . . . B . 17 2LA O4' . . . . . . . . . c17885_2lia 1 . 1 . 550 . 2 1 5 . O5' O 4.105 -0.690 28.374 . . . 1.0 . . . . . . . . . . . . B . 17 2LA O5' . . . . . . . . . c17885_2lia 1 . 1 . 551 . 2 1 5 . O6 O -0.749 2.570 22.155 . . . 1.0 . . . . . . . . . . . . B . 17 2LA O6 . . . . . . . . . c17885_2lia 1 . 1 . 552 . 2 1 5 . OP1 O 5.968 -0.708 30.076 . . . 1.0 . . . . . . . . . . . . B . 17 2LA OP1 . . . . . . . . . c17885_2lia 1 . 1 . 553 . 2 1 5 . OP2 O 6.327 0.338 27.782 . . . 1.0 . . . . . . . . . . . . B . 17 2LA OP2 . . . . . . . . . c17885_2lia 1 . 1 . 554 . 2 1 5 . P P 5.425 0.049 28.927 . . . 1.0 . . . . . . . . . . . . B . 17 2LA P . . . . . . . . . c17885_2lia 1 . 1 . 555 . 2 1 6 DC C1' C -1.594 -4.261 23.232 . . . 1.0 . . . . . . . . . . . . B . 18 DC C1' . . . . . . . . . c17885_2lia 1 . 1 . 556 . 2 1 6 DC C2 C -1.416 -2.339 21.648 . . . 1.0 . . . . . . . . . . . . B . 18 DC C2 . . . . . . . . . c17885_2lia 1 . 1 . 557 . 2 1 6 DC C2' C -1.032 -5.665 23.004 . . . 1.0 . . . . . . . . . . . . B . 18 DC C2' . . . . . . . . . c17885_2lia 1 . 1 . 558 . 2 1 6 DC C3' C -1.452 -6.425 24.265 . . . 1.0 . . . . . . . . . . . . B . 18 DC C3' . . . . . . . . . c17885_2lia 1 . 1 . 559 . 2 1 6 DC C4 C 0.536 -1.143 21.457 . . . 1.0 . . . . . . . . . . . . B . 18 DC C4 . . . . . . . . . c17885_2lia 1 . 1 . 560 . 2 1 6 DC C4' C -1.724 -5.304 25.301 . . . 1.0 . . . . . . . . . . . . B . 18 DC C4' . . . . . . . . . c17885_2lia 1 . 1 . 561 . 2 1 6 DC C5 C 1.214 -2.013 22.337 . . . 1.0 . . . . . . . . . . . . B . 18 DC C5 . . . . . . . . . c17885_2lia 1 . 1 . 562 . 2 1 6 DC C5' C -0.860 -5.343 26.563 . . . 1.0 . . . . . . . . . . . . B . 18 DC C5' . . . . . . . . . c17885_2lia 1 . 1 . 563 . 2 1 6 DC C6 C 0.508 -3.032 22.875 . . . 1.0 . . . . . . . . . . . . B . 18 DC C6 . . . . . . . . . c17885_2lia 1 . 1 . 564 . 2 1 6 DC H1' H -2.629 -4.261 22.888 . . . 1.0 . . . . . . . . . . . . B . 18 DC H1' . . . . . . . . . c17885_2lia 1 . 1 . 565 . 2 1 6 DC H2' H 0.054 -5.603 22.932 . . . 1.0 . . . . . . . . . . . . B . 18 DC H2' . . . . . . . . . c17885_2lia 1 . 1 . 566 . 2 1 6 DC H2'' H -1.394 -6.076 22.062 . . . 1.0 . . . . . . . . . . . . B . 18 DC H2'' . . . . . . . . . c17885_2lia 1 . 1 . 567 . 2 1 6 DC H3' H -0.635 -7.058 24.611 . . . 1.0 . . . . . . . . . . . . B . 18 DC H3' . . . . . . . . . c17885_2lia 1 . 1 . 568 . 2 1 6 DC H4' H -2.770 -5.367 25.598 . . . 1.0 . . . . . . . . . . . . B . 18 DC H4' . . . . . . . . . c17885_2lia 1 . 1 . 569 . 2 1 6 DC H41 H 2.143 -0.026 21.007 . . . 1.0 . . . . . . . . . . . . B . 18 DC H41 . . . . . . . . . c17885_2lia 1 . 1 . 570 . 2 1 6 DC H42 H 0.599 0.415 20.255 . . . 1.0 . . . . . . . . . . . . B . 18 DC H42 . . . . . . . . . c17885_2lia 1 . 1 . 571 . 2 1 6 DC H5 H 2.242 -1.862 22.632 . . . 1.0 . . . . . . . . . . . . B . 18 DC H5 . . . . . . . . . c17885_2lia 1 . 1 . 572 . 2 1 6 DC H5' H -1.089 -4.469 27.172 . . . 1.0 . . . . . . . . . . . . B . 18 DC H5' . . . . . . . . . c17885_2lia 1 . 1 . 573 . 2 1 6 DC H5'' H -1.167 -6.235 27.109 . . . 1.0 . . . . . . . . . . . . B . 18 DC H5'' . . . . . . . . . c17885_2lia 1 . 1 . 574 . 2 1 6 DC H6 H 0.945 -3.729 23.575 . . . 1.0 . . . . . . . . . . . . B . 18 DC H6 . . . . . . . . . c17885_2lia 1 . 1 . 575 . 2 1 6 DC N1 N -0.798 -3.205 22.556 . . . 1.0 . . . . . . . . . . . . B . 18 DC N1 . . . . . . . . . c17885_2lia 1 . 1 . 576 . 2 1 6 DC N3 N -0.722 -1.316 21.111 . . . 1.0 . . . . . . . . . . . . B . 18 DC N3 . . . . . . . . . c17885_2lia 1 . 1 . 577 . 2 1 6 DC N4 N 1.147 -0.149 20.888 . . . 1.0 . . . . . . . . . . . . B . 18 DC N4 . . . . . . . . . c17885_2lia 1 . 1 . 578 . 2 1 6 DC O2 O -2.580 -2.467 21.282 . . . 1.0 . . . . . . . . . . . . B . 18 DC O2 . . . . . . . . . c17885_2lia 1 . 1 . 579 . 2 1 6 DC O3' O -2.653 -7.195 24.096 . . . 1.0 . . . . . . . . . . . . B . 18 DC O3' . . . . . . . . . c17885_2lia 1 . 1 . 580 . 2 1 6 DC O4' O -1.563 -4.047 24.642 . . . 1.0 . . . . . . . . . . . . B . 18 DC O4' . . . . . . . . . c17885_2lia 1 . 1 . 581 . 2 1 6 DC O5' O 0.541 -5.429 26.289 . . . 1.0 . . . . . . . . . . . . B . 18 DC O5' . . . . . . . . . c17885_2lia 1 . 1 . 582 . 2 1 6 DC OP1 O 1.224 -6.435 28.496 . . . 1.0 . . . . . . . . . . . . B . 18 DC OP1 . . . . . . . . . c17885_2lia 1 . 1 . 583 . 2 1 6 DC OP2 O 2.994 -5.546 26.865 . . . 1.0 . . . . . . . . . . . . B . 18 DC OP2 . . . . . . . . . c17885_2lia 1 . 1 . 584 . 2 1 6 DC P P 1.636 -5.441 27.469 . . . 1.0 . . . . . . . . . . . . B . 18 DC P . . . . . . . . . c17885_2lia 1 . 1 . 585 . 2 1 7 DG C1' C -3.508 -5.605 18.676 . . . 1.0 . . . . . . . . . . . . B . 19 DG C1' . . . . . . . . . c17885_2lia 1 . 1 . 586 . 2 1 7 DG C2 C -2.431 -1.985 16.487 . . . 1.0 . . . . . . . . . . . . B . 19 DG C2 . . . . . . . . . c17885_2lia 1 . 1 . 587 . 2 1 7 DG C2' C -3.430 -7.078 18.299 . . . 1.0 . . . . . . . . . . . . B . 19 DG C2' . . . . . . . . . c17885_2lia 1 . 1 . 588 . 2 1 7 DG C3' C -4.550 -7.717 19.115 . . . 1.0 . . . . . . . . . . . . B . 19 DG C3' . . . . . . . . . c17885_2lia 1 . 1 . 589 . 2 1 7 DG C4 C -1.994 -3.738 17.810 . . . 1.0 . . . . . . . . . . . . B . 19 DG C4 . . . . . . . . . c17885_2lia 1 . 1 . 590 . 2 1 7 DG C4' C -4.766 -6.719 20.264 . . . 1.0 . . . . . . . . . . . . B . 19 DG C4' . . . . . . . . . c17885_2lia 1 . 1 . 591 . 2 1 7 DG C5 C -0.722 -3.313 18.126 . . . 1.0 . . . . . . . . . . . . B . 19 DG C5 . . . . . . . . . c17885_2lia 1 . 1 . 592 . 2 1 7 DG C5' C -4.510 -7.306 21.649 . . . 1.0 . . . . . . . . . . . . B . 19 DG C5' . . . . . . . . . c17885_2lia 1 . 1 . 593 . 2 1 7 DG C6 C -0.249 -2.091 17.527 . . . 1.0 . . . . . . . . . . . . B . 19 DG C6 . . . . . . . . . c17885_2lia 1 . 1 . 594 . 2 1 7 DG C8 C -1.020 -5.152 19.161 . . . 1.0 . . . . . . . . . . . . B . 19 DG C8 . . . . . . . . . c17885_2lia 1 . 1 . 595 . 2 1 7 DG H1 H -0.910 -0.628 16.261 . . . 1.0 . . . . . . . . . . . . B . 19 DG H1 . . . . . . . . . c17885_2lia 1 . 1 . 596 . 2 1 7 DG H1' H -4.234 -5.109 18.032 . . . 1.0 . . . . . . . . . . . . B . 19 DG H1' . . . . . . . . . c17885_2lia 1 . 1 . 597 . 2 1 7 DG H2' H -2.485 -7.518 18.619 . . . 1.0 . . . . . . . . . . . . B . 19 DG H2' . . . . . . . . . c17885_2lia 1 . 1 . 598 . 2 1 7 DG H2'' H -3.553 -7.233 17.227 . . . 1.0 . . . . . . . . . . . . B . 19 DG H2'' . . . . . . . . . c17885_2lia 1 . 1 . 599 . 2 1 7 DG H21 H -4.113 -1.739 15.419 . . . 1.0 . . . . . . . . . . . . B . 19 DG H21 . . . . . . . . . c17885_2lia 1 . 1 . 600 . 2 1 7 DG H22 H -2.923 -0.459 15.259 . . . 1.0 . . . . . . . . . . . . B . 19 DG H22 . . . . . . . . . c17885_2lia 1 . 1 . 601 . 2 1 7 DG H3' H -4.181 -8.677 19.477 . . . 1.0 . . . . . . . . . . . . B . 19 DG H3' . . . . . . . . . c17885_2lia 1 . 1 . 602 . 2 1 7 DG H4' H -5.804 -6.388 20.232 . . . 1.0 . . . . . . . . . . . . B . 19 DG H4' . . . . . . . . . c17885_2lia 1 . 1 . 603 . 2 1 7 DG H5' H -4.599 -6.508 22.387 . . . 1.0 . . . . . . . . . . . . B . 19 DG H5' . . . . . . . . . c17885_2lia 1 . 1 . 604 . 2 1 7 DG H5'' H -5.295 -8.031 21.866 . . . 1.0 . . . . . . . . . . . . B . 19 DG H5'' . . . . . . . . . c17885_2lia 1 . 1 . 605 . 2 1 7 DG H8 H -0.890 -6.035 19.769 . . . 1.0 . . . . . . . . . . . . B . 19 DG H8 . . . . . . . . . c17885_2lia 1 . 1 . 606 . 2 1 7 DG N1 N -1.180 -1.495 16.703 . . . 1.0 . . . . . . . . . . . . B . 19 DG N1 . . . . . . . . . c17885_2lia 1 . 1 . 607 . 2 1 7 DG N2 N -3.229 -1.326 15.678 . . . 1.0 . . . . . . . . . . . . B . 19 DG N2 . . . . . . . . . c17885_2lia 1 . 1 . 608 . 2 1 7 DG N3 N -2.898 -3.126 16.978 . . . 1.0 . . . . . . . . . . . . B . 19 DG N3 . . . . . . . . . c17885_2lia 1 . 1 . 609 . 2 1 7 DG N7 N -0.100 -4.253 18.969 . . . 1.0 . . . . . . . . . . . . B . 19 DG N7 . . . . . . . . . c17885_2lia 1 . 1 . 610 . 2 1 7 DG N9 N -2.216 -4.880 18.551 . . . 1.0 . . . . . . . . . . . . B . 19 DG N9 . . . . . . . . . c17885_2lia 1 . 1 . 611 . 2 1 7 DG O3' O -5.783 -7.875 18.423 . . . 1.0 . . . . . . . . . . . . B . 19 DG O3' . . . . . . . . . c17885_2lia 1 . 1 . 612 . 2 1 7 DG O4' O -3.916 -5.593 20.040 . . . 1.0 . . . . . . . . . . . . B . 19 DG O4' . . . . . . . . . c17885_2lia 1 . 1 . 613 . 2 1 7 DG O5' O -3.239 -7.942 21.789 . . . 1.0 . . . . . . . . . . . . B . 19 DG O5' . . . . . . . . . c17885_2lia 1 . 1 . 614 . 2 1 7 DG O6 O 0.831 -1.517 17.643 . . . 1.0 . . . . . . . . . . . . B . 19 DG O6 . . . . . . . . . c17885_2lia 1 . 1 . 615 . 2 1 7 DG OP1 O -3.829 -9.376 23.762 . . . 1.0 . . . . . . . . . . . . B . 19 DG OP1 . . . . . . . . . c17885_2lia 1 . 1 . 616 . 2 1 7 DG OP2 O -1.390 -9.095 23.035 . . . 1.0 . . . . . . . . . . . . B . 19 DG OP2 . . . . . . . . . c17885_2lia 1 . 1 . 617 . 2 1 7 DG P P -2.746 -8.527 23.203 . . . 1.0 . . . . . . . . . . . . B . 19 DG P . . . . . . . . . c17885_2lia 1 . 1 . 618 . 2 1 8 DC C1' C -3.839 -5.214 13.744 . . . 1.0 . . . . . . . . . . . . B . 20 DC C1' . . . . . . . . . c17885_2lia 1 . 1 . 619 . 2 1 8 DC C2 C -1.647 -4.069 13.954 . . . 1.0 . . . . . . . . . . . . B . 20 DC C2 . . . . . . . . . c17885_2lia 1 . 1 . 620 . 2 1 8 DC C2' C -4.096 -6.319 12.695 . . . 1.0 . . . . . . . . . . . . B . 20 DC C2' . . . . . . . . . c17885_2lia 1 . 1 . 621 . 2 1 8 DC C3' C -5.478 -6.884 13.094 . . . 1.0 . . . . . . . . . . . . B . 20 DC C3' . . . . . . . . . c17885_2lia 1 . 1 . 622 . 2 1 8 DC C4 C 0.026 -4.948 15.252 . . . 1.0 . . . . . . . . . . . . B . 20 DC C4 . . . . . . . . . c17885_2lia 1 . 1 . 623 . 2 1 8 DC C4' C -5.841 -6.154 14.379 . . . 1.0 . . . . . . . . . . . . B . 20 DC C4' . . . . . . . . . c17885_2lia 1 . 1 . 624 . 2 1 8 DC C5 C -0.736 -6.111 15.561 . . . 1.0 . . . . . . . . . . . . B . 20 DC C5 . . . . . . . . . c17885_2lia 1 . 1 . 625 . 2 1 8 DC C5' C -6.471 -7.025 15.499 . . . 1.0 . . . . . . . . . . . . B . 20 DC C5' . . . . . . . . . c17885_2lia 1 . 1 . 626 . 2 1 8 DC C6 C -1.964 -6.224 14.999 . . . 1.0 . . . . . . . . . . . . B . 20 DC C6 . . . . . . . . . c17885_2lia 1 . 1 . 627 . 2 1 8 DC H1' H -4.123 -4.267 13.286 . . . 1.0 . . . . . . . . . . . . B . 20 DC H1' . . . . . . . . . c17885_2lia 1 . 1 . 628 . 2 1 8 DC H2' H -3.347 -7.110 12.737 . . . 1.0 . . . . . . . . . . . . B . 20 DC H2' . . . . . . . . . c17885_2lia 1 . 1 . 629 . 2 1 8 DC H2'' H -4.122 -5.868 11.704 . . . 1.0 . . . . . . . . . . . . B . 20 DC H2'' . . . . . . . . . c17885_2lia 1 . 1 . 630 . 2 1 8 DC H3' H -5.372 -7.948 13.304 . . . 1.0 . . . . . . . . . . . . B . 20 DC H3' . . . . . . . . . c17885_2lia 1 . 1 . 631 . 2 1 8 DC H4' H -6.590 -5.406 14.118 . . . 1.0 . . . . . . . . . . . . B . 20 DC H4' . . . . . . . . . c17885_2lia 1 . 1 . 632 . 2 1 8 DC H41 H 1.583 -5.406 16.437 . . . 1.0 . . . . . . . . . . . . B . 20 DC H41 . . . . . . . . . c17885_2lia 1 . 1 . 633 . 2 1 8 DC H42 H 1.671 -3.883 15.546 . . . 1.0 . . . . . . . . . . . . B . 20 DC H42 . . . . . . . . . c17885_2lia 1 . 1 . 634 . 2 1 8 DC H5 H -0.398 -6.889 16.229 . . . 1.0 . . . . . . . . . . . . B . 20 DC H5 . . . . . . . . . c17885_2lia 1 . 1 . 635 . 2 1 8 DC H5' H -6.664 -6.363 16.343 . . . 1.0 . . . . . . . . . . . . B . 20 DC H5' . . . . . . . . . c17885_2lia 1 . 1 . 636 . 2 1 8 DC H5'' H -7.428 -7.413 15.148 . . . 1.0 . . . . . . . . . . . . B . 20 DC H5'' . . . . . . . . . c17885_2lia 1 . 1 . 637 . 2 1 8 DC H6 H -2.570 -7.092 15.210 . . . 1.0 . . . . . . . . . . . . B . 20 DC H6 . . . . . . . . . c17885_2lia 1 . 1 . 638 . 2 1 8 DC N1 N -2.447 -5.189 14.214 . . . 1.0 . . . . . . . . . . . . B . 20 DC N1 . . . . . . . . . c17885_2lia 1 . 1 . 639 . 2 1 8 DC N3 N -0.411 -3.965 14.477 . . . 1.0 . . . . . . . . . . . . B . 20 DC N3 . . . . . . . . . c17885_2lia 1 . 1 . 640 . 2 1 8 DC N4 N 1.198 -4.745 15.777 . . . 1.0 . . . . . . . . . . . . B . 20 DC N4 . . . . . . . . . c17885_2lia 1 . 1 . 641 . 2 1 8 DC O2 O -1.994 -3.193 13.166 . . . 1.0 . . . . . . . . . . . . B . 20 DC O2 . . . . . . . . . c17885_2lia 1 . 1 . 642 . 2 1 8 DC O3' O -6.497 -6.680 12.126 . . . 1.0 . . . . . . . . . . . . B . 20 DC O3' . . . . . . . . . c17885_2lia 1 . 1 . 643 . 2 1 8 DC O4' O -4.675 -5.481 14.857 . . . 1.0 . . . . . . . . . . . . B . 20 DC O4' . . . . . . . . . c17885_2lia 1 . 1 . 644 . 2 1 8 DC O5' O -5.630 -8.101 15.915 . . . 1.0 . . . . . . . . . . . . B . 20 DC O5' . . . . . . . . . c17885_2lia 1 . 1 . 645 . 2 1 8 DC OP1 O -7.463 -9.261 17.170 . . . 1.0 . . . . . . . . . . . . B . 20 DC OP1 . . . . . . . . . c17885_2lia 1 . 1 . 646 . 2 1 8 DC OP2 O -5.040 -10.068 17.363 . . . 1.0 . . . . . . . . . . . . B . 20 DC OP2 . . . . . . . . . c17885_2lia 1 . 1 . 647 . 2 1 8 DC P P -6.016 -8.952 17.236 . . . 1.0 . . . . . . . . . . . . B . 20 DC P . . . . . . . . . c17885_2lia 1 . 1 . 648 . 2 1 9 DT C1' C -2.455 -4.104 9.129 . . . 1.0 . . . . . . . . . . . . B . 21 DT C1' . . . . . . . . . c17885_2lia 1 . 1 . 649 . 2 1 9 DT C2 C -0.253 -3.862 10.288 . . . 1.0 . . . . . . . . . . . . B . 21 DT C2 . . . . . . . . . c17885_2lia 1 . 1 . 650 . 2 1 9 DT C2' C -2.714 -5.022 7.924 . . . 1.0 . . . . . . . . . . . . B . 21 DT C2' . . . . . . . . . c17885_2lia 1 . 1 . 651 . 2 1 9 DT C3' C -4.204 -4.839 7.622 . . . 1.0 . . . . . . . . . . . . B . 21 DT C3' . . . . . . . . . c17885_2lia 1 . 1 . 652 . 2 1 9 DT C4 C 0.598 -5.647 11.727 . . . 1.0 . . . . . . . . . . . . B . 21 DT C4 . . . . . . . . . c17885_2lia 1 . 1 . 653 . 2 1 9 DT C4' C -4.750 -4.226 8.924 . . . 1.0 . . . . . . . . . . . . B . 21 DT C4' . . . . . . . . . c17885_2lia 1 . 1 . 654 . 2 1 9 DT C5 C -0.535 -6.450 11.300 . . . 1.0 . . . . . . . . . . . . B . 21 DT C5 . . . . . . . . . c17885_2lia 1 . 1 . 655 . 2 1 9 DT C5' C -5.892 -5.044 9.578 . . . 1.0 . . . . . . . . . . . . B . 21 DT C5' . . . . . . . . . c17885_2lia 1 . 1 . 656 . 2 1 9 DT C6 C -1.485 -5.938 10.472 . . . 1.0 . . . . . . . . . . . . B . 21 DT C6 . . . . . . . . . c17885_2lia 1 . 1 . 657 . 2 1 9 DT C7 C -0.705 -7.896 11.730 . . . 1.0 . . . . . . . . . . . . B . 21 DT C7 . . . . . . . . . c17885_2lia 1 . 1 . 658 . 2 1 9 DT H1' H -2.184 -3.118 8.752 . . . 1.0 . . . . . . . . . . . . B . 21 DT H1' . . . . . . . . . c17885_2lia 1 . 1 . 659 . 2 1 9 DT H2' H -2.489 -6.070 8.121 . . . 1.0 . . . . . . . . . . . . B . 21 DT H2' . . . . . . . . . c17885_2lia 1 . 1 . 660 . 2 1 9 DT H2'' H -2.064 -4.702 7.109 . . . 1.0 . . . . . . . . . . . . B . 21 DT H2'' . . . . . . . . . c17885_2lia 1 . 1 . 661 . 2 1 9 DT H3 H 1.521 -3.861 11.282 . . . 1.0 . . . . . . . . . . . . B . 21 DT H3 . . . . . . . . . c17885_2lia 1 . 1 . 662 . 2 1 9 DT H3' H -4.660 -5.807 7.414 . . . 1.0 . . . . . . . . . . . . B . 21 DT H3' . . . . . . . . . c17885_2lia 1 . 1 . 663 . 2 1 9 DT H4' H -5.143 -3.239 8.681 . . . 1.0 . . . . . . . . . . . . B . 21 DT H4' . . . . . . . . . c17885_2lia 1 . 1 . 664 . 2 1 9 DT H5' H -6.117 -4.582 10.539 . . . 1.0 . . . . . . . . . . . . B . 21 DT H5' . . . . . . . . . c17885_2lia 1 . 1 . 665 . 2 1 9 DT H5'' H -6.778 -4.942 8.952 . . . 1.0 . . . . . . . . . . . . B . 21 DT H5'' . . . . . . . . . c17885_2lia 1 . 1 . 666 . 2 1 9 DT H6 H -2.334 -6.539 10.182 . . . 1.0 . . . . . . . . . . . . B . 21 DT H6 . . . . . . . . . c17885_2lia 1 . 1 . 667 . 2 1 9 DT H71 H -0.963 -7.919 12.789 . . . 1.0 . . . . . . . . . . . . B . 21 DT H71 . . . . . . . . . c17885_2lia 1 . 1 . 668 . 2 1 9 DT H72 H -1.436 -8.381 11.083 . . . 1.0 . . . . . . . . . . . . B . 21 DT H72 . . . . . . . . . c17885_2lia 1 . 1 . 669 . 2 1 9 DT H73 H 0.249 -8.415 11.632 . . . 1.0 . . . . . . . . . . . . B . 21 DT H73 . . . . . . . . . c17885_2lia 1 . 1 . 670 . 2 1 9 DT N1 N -1.383 -4.645 10.007 . . . 1.0 . . . . . . . . . . . . B . 21 DT N1 . . . . . . . . . c17885_2lia 1 . 1 . 671 . 2 1 9 DT N3 N 0.674 -4.395 11.152 . . . 1.0 . . . . . . . . . . . . B . 21 DT N3 . . . . . . . . . c17885_2lia 1 . 1 . 672 . 2 1 9 DT O2 O -0.033 -2.773 9.776 . . . 1.0 . . . . . . . . . . . . B . 21 DT O2 . . . . . . . . . c17885_2lia 1 . 1 . 673 . 2 1 9 DT O3' O -4.437 -3.950 6.532 . . . 1.0 . . . . . . . . . . . . B . 21 DT O3' . . . . . . . . . c17885_2lia 1 . 1 . 674 . 2 1 9 DT O4 O 1.474 -5.969 12.509 . . . 1.0 . . . . . . . . . . . . B . 21 DT O4 . . . . . . . . . c17885_2lia 1 . 1 . 675 . 2 1 9 DT O4' O -3.671 -4.037 9.841 . . . 1.0 . . . . . . . . . . . . B . 21 DT O4' . . . . . . . . . c17885_2lia 1 . 1 . 676 . 2 1 9 DT O5' O -5.535 -6.407 9.775 . . . 1.0 . . . . . . . . . . . . B . 21 DT O5' . . . . . . . . . c17885_2lia 1 . 1 . 677 . 2 1 9 DT OP1 O -7.842 -7.275 10.107 . . . 1.0 . . . . . . . . . . . . B . 21 DT OP1 . . . . . . . . . c17885_2lia 1 . 1 . 678 . 2 1 9 DT OP2 O -5.800 -8.680 10.744 . . . 1.0 . . . . . . . . . . . . B . 21 DT OP2 . . . . . . . . . c17885_2lia 1 . 1 . 679 . 2 1 9 DT P P -6.473 -7.359 10.655 . . . 1.0 . . . . . . . . . . . . B . 21 DT P . . . . . . . . . c17885_2lia 1 . 1 . 680 . 2 1 10 DC C1' C 1.176 -4.433 5.642 . . . 1.0 . . . . . . . . . . . . B . 22 DC C1' . . . . . . . . . c17885_2lia 1 . 1 . 681 . 2 1 10 DC C2 C 2.544 -5.236 7.586 . . . 1.0 . . . . . . . . . . . . B . 22 DC C2 . . . . . . . . . c17885_2lia 1 . 1 . 682 . 2 1 10 DC C2' C 0.804 -5.124 4.352 . . . 1.0 . . . . . . . . . . . . B . 22 DC C2' . . . . . . . . . c17885_2lia 1 . 1 . 683 . 2 1 10 DC C3' C 0.031 -4.008 3.597 . . . 1.0 . . . . . . . . . . . . B . 22 DC C3' . . . . . . . . . c17885_2lia 1 . 1 . 684 . 2 1 10 DC C4 C 1.890 -7.032 8.849 . . . 1.0 . . . . . . . . . . . . B . 22 DC C4 . . . . . . . . . c17885_2lia 1 . 1 . 685 . 2 1 10 DC C4' C -0.444 -3.076 4.719 . . . 1.0 . . . . . . . . . . . . B . 22 DC C4' . . . . . . . . . c17885_2lia 1 . 1 . 686 . 2 1 10 DC C5 C 0.660 -7.135 8.146 . . . 1.0 . . . . . . . . . . . . B . 22 DC C5 . . . . . . . . . c17885_2lia 1 . 1 . 687 . 2 1 10 DC C5' C -1.971 -2.989 4.808 . . . 1.0 . . . . . . . . . . . . B . 22 DC C5' . . . . . . . . . c17885_2lia 1 . 1 . 688 . 2 1 10 DC C6 C 0.438 -6.274 7.139 . . . 1.0 . . . . . . . . . . . . B . 22 DC C6 . . . . . . . . . c17885_2lia 1 . 1 . 689 . 2 1 10 DC H1' H 2.090 -3.868 5.464 . . . 1.0 . . . . . . . . . . . . B . 22 DC H1' . . . . . . . . . c17885_2lia 1 . 1 . 690 . 2 1 10 DC H2' H 0.151 -5.969 4.570 . . . 1.0 . . . . . . . . . . . . B . 22 DC H2' . . . . . . . . . c17885_2lia 1 . 1 . 691 . 2 1 10 DC H2'' H 1.690 -5.452 3.807 . . . 1.0 . . . . . . . . . . . . B . 22 DC H2'' . . . . . . . . . c17885_2lia 1 . 1 . 692 . 2 1 10 DC H3' H -0.810 -4.438 3.054 . . . 1.0 . . . . . . . . . . . . B . 22 DC H3' . . . . . . . . . c17885_2lia 1 . 1 . 693 . 2 1 10 DC H4' H -0.076 -2.067 4.535 . . . 1.0 . . . . . . . . . . . . B . 22 DC H4' . . . . . . . . . c17885_2lia 1 . 1 . 694 . 2 1 10 DC H41 H 1.520 -8.635 10.004 . . . 1.0 . . . . . . . . . . . . B . 22 DC H41 . . . . . . . . . c17885_2lia 1 . 1 . 695 . 2 1 10 DC H42 H 3.026 -7.761 10.311 . . . 1.0 . . . . . . . . . . . . B . 22 DC H42 . . . . . . . . . c17885_2lia 1 . 1 . 696 . 2 1 10 DC H5 H -0.099 -7.869 8.375 . . . 1.0 . . . . . . . . . . . . B . 22 DC H5 . . . . . . . . . c17885_2lia 1 . 1 . 697 . 2 1 10 DC H5' H -2.247 -2.433 5.704 . . . 1.0 . . . . . . . . . . . . B . 22 DC H5' . . . . . . . . . c17885_2lia 1 . 1 . 698 . 2 1 10 DC H5'' H -2.315 -2.397 3.959 . . . 1.0 . . . . . . . . . . . . B . 22 DC H5'' . . . . . . . . . c17885_2lia 1 . 1 . 699 . 2 1 10 DC H6 H -0.501 -6.300 6.607 . . . 1.0 . . . . . . . . . . . . B . 22 DC H6 . . . . . . . . . c17885_2lia 1 . 1 . 700 . 2 1 10 DC N1 N 1.384 -5.347 6.803 . . . 1.0 . . . . . . . . . . . . B . 22 DC N1 . . . . . . . . . c17885_2lia 1 . 1 . 701 . 2 1 10 DC N3 N 2.806 -6.098 8.591 . . . 1.0 . . . . . . . . . . . . B . 22 DC N3 . . . . . . . . . c17885_2lia 1 . 1 . 702 . 2 1 10 DC N4 N 2.164 -7.884 9.799 . . . 1.0 . . . . . . . . . . . . B . 22 DC N4 . . . . . . . . . c17885_2lia 1 . 1 . 703 . 2 1 10 DC O2 O 3.371 -4.353 7.372 . . . 1.0 . . . . . . . . . . . . B . 22 DC O2 . . . . . . . . . c17885_2lia 1 . 1 . 704 . 2 1 10 DC O3' O 0.841 -3.191 2.748 . . . 1.0 . . . . . . . . . . . . B . 22 DC O3' . . . . . . . . . c17885_2lia 1 . 1 . 705 . 2 1 10 DC O4' O 0.112 -3.555 5.943 . . . 1.0 . . . . . . . . . . . . B . 22 DC O4' . . . . . . . . . c17885_2lia 1 . 1 . 706 . 2 1 10 DC O5' O -2.639 -4.258 4.805 . . . 1.0 . . . . . . . . . . . . B . 22 DC O5' . . . . . . . . . c17885_2lia 1 . 1 . 707 . 2 1 10 DC OP1 O -4.862 -3.302 4.186 . . . 1.0 . . . . . . . . . . . . B . 22 DC OP1 . . . . . . . . . c17885_2lia 1 . 1 . 708 . 2 1 10 DC OP2 O -4.658 -5.767 4.795 . . . 1.0 . . . . . . . . . . . . B . 22 DC OP2 . . . . . . . . . c17885_2lia 1 . 1 . 709 . 2 1 10 DC P P -4.222 -4.366 4.996 . . . 1.0 . . . . . . . . . . . . B . 22 DC P . . . . . . . . . c17885_2lia 1 . 1 . 710 . 2 1 11 DT C1' C 5.181 -6.075 4.790 . . . 1.0 . . . . . . . . . . . . B . 23 DT C1' . . . . . . . . . c17885_2lia 1 . 1 . 711 . 2 1 11 DT C2 C 5.141 -7.664 6.665 . . . 1.0 . . . . . . . . . . . . B . 23 DT C2 . . . . . . . . . c17885_2lia 1 . 1 . 712 . 2 1 11 DT C2' C 5.727 -6.709 3.506 . . . 1.0 . . . . . . . . . . . . B . 23 DT C2' . . . . . . . . . c17885_2lia 1 . 1 . 713 . 2 1 11 DT C3' C 5.333 -5.730 2.393 . . . 1.0 . . . . . . . . . . . . B . 23 DT C3' . . . . . . . . . c17885_2lia 1 . 1 . 714 . 2 1 11 DT C4 C 3.341 -9.292 6.981 . . . 1.0 . . . . . . . . . . . . B . 23 DT C4 . . . . . . . . . c17885_2lia 1 . 1 . 715 . 2 1 11 DT C4' C 4.858 -4.495 3.188 . . . 1.0 . . . . . . . . . . . . B . 23 DT C4' . . . . . . . . . c17885_2lia 1 . 1 . 716 . 2 1 11 DT C5 C 2.691 -8.710 5.789 . . . 1.0 . . . . . . . . . . . . B . 23 DT C5 . . . . . . . . . c17885_2lia 1 . 1 . 717 . 2 1 11 DT C5' C 3.859 -3.607 2.428 . . . 1.0 . . . . . . . . . . . . B . 23 DT C5' . . . . . . . . . c17885_2lia 1 . 1 . 718 . 2 1 11 DT C6 C 3.257 -7.642 5.144 . . . 1.0 . . . . . . . . . . . . B . 23 DT C6 . . . . . . . . . c17885_2lia 1 . 1 . 719 . 2 1 11 DT C7 C 1.363 -9.269 5.304 . . . 1.0 . . . . . . . . . . . . B . 23 DT C7 . . . . . . . . . c17885_2lia 1 . 1 . 720 . 2 1 11 DT H1' H 6.023 -5.693 5.366 . . . 1.0 . . . . . . . . . . . . B . 23 DT H1' . . . . . . . . . c17885_2lia 1 . 1 . 721 . 2 1 11 DT H2' H 5.289 -7.681 3.276 . . . 1.0 . . . . . . . . . . . . B . 23 DT H2' . . . . . . . . . c17885_2lia 1 . 1 . 722 . 2 1 11 DT H2'' H 6.811 -6.808 3.568 . . . 1.0 . . . . . . . . . . . . B . 23 DT H2'' . . . . . . . . . c17885_2lia 1 . 1 . 723 . 2 1 11 DT H3 H 5.026 -9.080 8.109 . . . 1.0 . . . . . . . . . . . . B . 23 DT H3 . . . . . . . . . c17885_2lia 1 . 1 . 724 . 2 1 11 DT H3' H 4.463 -6.150 1.890 . . . 1.0 . . . . . . . . . . . . B . 23 DT H3' . . . . . . . . . c17885_2lia 1 . 1 . 725 . 2 1 11 DT H4' H 5.729 -3.887 3.430 . . . 1.0 . . . . . . . . . . . . B . 23 DT H4' . . . . . . . . . c17885_2lia 1 . 1 . 726 . 2 1 11 DT H5' H 3.442 -2.899 3.144 . . . 1.0 . . . . . . . . . . . . B . 23 DT H5' . . . . . . . . . c17885_2lia 1 . 1 . 727 . 2 1 11 DT H5'' H 4.382 -3.038 1.660 . . . 1.0 . . . . . . . . . . . . B . 23 DT H5'' . . . . . . . . . c17885_2lia 1 . 1 . 728 . 2 1 11 DT H6 H 2.802 -7.196 4.272 . . . 1.0 . . . . . . . . . . . . B . 23 DT H6 . . . . . . . . . c17885_2lia 1 . 1 . 729 . 2 1 11 DT H71 H 0.612 -9.180 6.089 . . . 1.0 . . . . . . . . . . . . B . 23 DT H71 . . . . . . . . . c17885_2lia 1 . 1 . 730 . 2 1 11 DT H72 H 0.996 -8.715 4.440 . . . 1.0 . . . . . . . . . . . . B . 23 DT H72 . . . . . . . . . c17885_2lia 1 . 1 . 731 . 2 1 11 DT H73 H 1.490 -10.321 5.050 . . . 1.0 . . . . . . . . . . . . B . 23 DT H73 . . . . . . . . . c17885_2lia 1 . 1 . 732 . 2 1 11 DT N1 N 4.465 -7.124 5.566 . . . 1.0 . . . . . . . . . . . . B . 23 DT N1 . . . . . . . . . c17885_2lia 1 . 1 . 733 . 2 1 11 DT N3 N 4.520 -8.686 7.329 . . . 1.0 . . . . . . . . . . . . B . 23 DT N3 . . . . . . . . . c17885_2lia 1 . 1 . 734 . 2 1 11 DT O2 O 6.233 -7.256 7.060 . . . 1.0 . . . . . . . . . . . . B . 23 DT O2 . . . . . . . . . c17885_2lia 1 . 1 . 735 . 2 1 11 DT O3' O 6.377 -5.420 1.487 . . . 1.0 . . . . . . . . . . . . B . 23 DT O3' . . . . . . . . . c17885_2lia 1 . 1 . 736 . 2 1 11 DT O4 O 2.962 -10.244 7.647 . . . 1.0 . . . . . . . . . . . . B . 23 DT O4 . . . . . . . . . c17885_2lia 1 . 1 . 737 . 2 1 11 DT O4' O 4.339 -5.016 4.403 . . . 1.0 . . . . . . . . . . . . B . 23 DT O4' . . . . . . . . . c17885_2lia 1 . 1 . 738 . 2 1 11 DT O5' O 2.817 -4.390 1.814 . . . 1.0 . . . . . . . . . . . . B . 23 DT O5' . . . . . . . . . c17885_2lia 1 . 1 . 739 . 2 1 11 DT OP1 O 1.720 -2.531 0.541 . . . 1.0 . . . . . . . . . . . . B . 23 DT OP1 . . . . . . . . . c17885_2lia 1 . 1 . 740 . 2 1 11 DT OP2 O 0.537 -4.770 0.818 . . . 1.0 . . . . . . . . . . . . B . 23 DT OP2 . . . . . . . . . c17885_2lia 1 . 1 . 741 . 2 1 11 DT P P 1.422 -3.722 1.358 . . . 1.0 . . . . . . . . . . . . B . 23 DT P . . . . . . . . . c17885_2lia 1 . 1 . 742 . 2 1 12 DC C1' C 9.347 -8.465 4.761 . . . 1.0 . . . . . . . . . . . . B . 24 DC C1' . . . . . . . . . c17885_2lia 1 . 1 . 743 . 2 1 12 DC C2 C 8.058 -10.021 6.177 . . . 1.0 . . . . . . . . . . . . B . 24 DC C2 . . . . . . . . . c17885_2lia 1 . 1 . 744 . 2 1 12 DC C2' C 10.476 -9.206 4.061 . . . 1.0 . . . . . . . . . . . . B . 24 DC C2' . . . . . . . . . c17885_2lia 1 . 1 . 745 . 2 1 12 DC C3' C 10.377 -8.680 2.632 . . . 1.0 . . . . . . . . . . . . B . 24 DC C3' . . . . . . . . . c17885_2lia 1 . 1 . 746 . 2 1 12 DC C4 C 6.148 -11.079 5.478 . . . 1.0 . . . . . . . . . . . . B . 24 DC C4 . . . . . . . . . c17885_2lia 1 . 1 . 747 . 2 1 12 DC C4' C 9.923 -7.251 2.872 . . . 1.0 . . . . . . . . . . . . B . 24 DC C4' . . . . . . . . . c17885_2lia 1 . 1 . 748 . 2 1 12 DC C5 C 6.234 -10.481 4.184 . . . 1.0 . . . . . . . . . . . . B . 24 DC C5 . . . . . . . . . c17885_2lia 1 . 1 . 749 . 2 1 12 DC C5' C 9.264 -6.539 1.685 . . . 1.0 . . . . . . . . . . . . B . 24 DC C5' . . . . . . . . . c17885_2lia 1 . 1 . 750 . 2 1 12 DC C6 C 7.268 -9.634 3.958 . . . 1.0 . . . . . . . . . . . . B . 24 DC C6 . . . . . . . . . c17885_2lia 1 . 1 . 751 . 2 1 12 DC H1' H 9.690 -8.104 5.731 . . . 1.0 . . . . . . . . . . . . B . 24 DC H1' . . . . . . . . . c17885_2lia 1 . 1 . 752 . 2 1 12 DC H2' H 10.379 -10.292 4.076 . . . 1.0 . . . . . . . . . . . . B . 24 DC H2' . . . . . . . . . c17885_2lia 1 . 1 . 753 . 2 1 12 DC H2'' H 11.417 -8.891 4.512 . . . 1.0 . . . . . . . . . . . . B . 24 DC H2'' . . . . . . . . . c17885_2lia 1 . 1 . 754 . 2 1 12 DC H3' H 9.609 -9.223 2.081 . . . 1.0 . . . . . . . . . . . . B . 24 DC H3' . . . . . . . . . c17885_2lia 1 . 1 . 755 . 2 1 12 DC H4' H 10.789 -6.667 3.184 . . . 1.0 . . . . . . . . . . . . B . 24 DC H4' . . . . . . . . . c17885_2lia 1 . 1 . 756 . 2 1 12 DC H41 H 4.509 -12.152 5.067 . . . 1.0 . . . . . . . . . . . . B . 24 DC H41 . . . . . . . . . c17885_2lia 1 . 1 . 757 . 2 1 12 DC H42 H 5.173 -12.310 6.699 . . . 1.0 . . . . . . . . . . . . B . 24 DC H42 . . . . . . . . . c17885_2lia 1 . 1 . 758 . 2 1 12 DC H5 H 5.541 -10.681 3.380 . . . 1.0 . . . . . . . . . . . . B . 24 DC H5 . . . . . . . . . c17885_2lia 1 . 1 . 759 . 2 1 12 DC H5' H 8.998 -5.528 1.996 . . . 1.0 . . . . . . . . . . . . B . 24 DC H5' . . . . . . . . . c17885_2lia 1 . 1 . 760 . 2 1 12 DC H5'' H 9.982 -6.448 0.870 . . . 1.0 . . . . . . . . . . . . B . 24 DC H5'' . . . . . . . . . c17885_2lia 1 . 1 . 761 . 2 1 12 DC H6 H 7.383 -9.153 2.997 . . . 1.0 . . . . . . . . . . . . B . 24 DC H6 . . . . . . . . . c17885_2lia 1 . 1 . 762 . 2 1 12 DC HO3' H 11.550 -8.539 1.085 . . . 1.0 . . . . . . . . . . . . B . 24 DC HO3' . . . . . . . . . c17885_2lia 1 . 1 . 763 . 2 1 12 DC N1 N 8.171 -9.354 4.955 . . . 1.0 . . . . . . . . . . . . B . 24 DC N1 . . . . . . . . . c17885_2lia 1 . 1 . 764 . 2 1 12 DC N3 N 7.028 -10.873 6.431 . . . 1.0 . . . . . . . . . . . . B . 24 DC N3 . . . . . . . . . c17885_2lia 1 . 1 . 765 . 2 1 12 DC N4 N 5.211 -11.936 5.761 . . . 1.0 . . . . . . . . . . . . B . 24 DC N4 . . . . . . . . . c17885_2lia 1 . 1 . 766 . 2 1 12 DC O2 O 8.880 -9.865 7.082 . . . 1.0 . . . . . . . . . . . . B . 24 DC O2 . . . . . . . . . c17885_2lia 1 . 1 . 767 . 2 1 12 DC O3' O 11.643 -8.800 2.004 . . . 1.0 . . . . . . . . . . . . B . 24 DC O3' . . . . . . . . . c17885_2lia 1 . 1 . 768 . 2 1 12 DC O4' O 9.039 -7.348 3.971 . . . 1.0 . . . . . . . . . . . . B . 24 DC O4' . . . . . . . . . c17885_2lia 1 . 1 . 769 . 2 1 12 DC O5' O 8.112 -7.212 1.205 . . . 1.0 . . . . . . . . . . . . B . 24 DC O5' . . . . . . . . . c17885_2lia 1 . 1 . 770 . 2 1 12 DC OP1 O 7.601 -5.626 -0.696 . . . 1.0 . . . . . . . . . . . . B . 24 DC OP1 . . . . . . . . . c17885_2lia 1 . 1 . 771 . 2 1 12 DC OP2 O 5.896 -7.387 0.012 . . . 1.0 . . . . . . . . . . . . B . 24 DC OP2 . . . . . . . . . c17885_2lia 1 . 1 . 772 . 2 1 12 DC P P 6.971 -6.425 0.383 . . . 1.0 . . . . . . . . . . . . B . 24 DC P . . . . . . . . . c17885_2lia 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 c17885_2lia _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 2lia.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c17885_2lia 1 1 2lia.mr . . DYANA/DIANA 2 distance NOE simple 404 c17885_2lia 1 1 2lia.mr . . 'MR format' 3 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c17885_2lia 1 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID c17885_2lia _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 2 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 . . . . c17885_2lia 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 H2'' H . . . 1 1 1 1 DG H1' H . . . . . . . 1.94 . . . . . A . 1 DG H2'' . . A . 1 DG H1' . . . 1 DG5 H2'2 . . . . . 1 DG5 H1' . . c17885_2lia 1 2 1 . . 1 1 1 1 DG H1' H . . . 1 1 1 1 DG H2' H . . . . . . . 2.16 . . . . . A . 1 DG H1' . . A . 1 DG H2' . . . 1 DG5 H1' . . . . . 1 DG5 H2'1 . . c17885_2lia 1 3 1 . . 1 1 1 1 DG H1' H . . . 1 1 1 1 DG H3' H . . . . . . . 2.95 . . . . . A . 1 DG H1' . . A . 1 DG H3' . . . 1 DG5 H1' . . . . . 1 DG5 H3' . . c17885_2lia 1 4 1 . . 1 1 1 1 DG H2'' H . . . 1 1 1 1 DG H3' H . . . . . . . 2.26 . . . . . A . 1 DG H2'' . . A . 1 DG H3' . . . 1 DG5 H2'2 . . . . . 1 DG5 H3' . . c17885_2lia 1 5 1 . . 1 1 1 1 DG H2' H . . . 1 1 1 1 DG H3' H . . . . . . . 1.70 . . . . . A . 1 DG H2' . . A . 1 DG H3' . . . 1 DG5 H2'1 . . . . . 1 DG5 H3' . . c17885_2lia 1 6 1 . . 1 1 1 1 DG H1' H . . . 1 1 1 1 DG H8 H . . . . . . . 2.80 . . . . . A . 1 DG H1' . . A . 1 DG H8 . . . 1 DG5 H1' . . . . . 1 DG5 H8 . . c17885_2lia 1 7 1 . . 1 1 1 1 DG H2' H . . . 1 1 1 1 DG H8 H . . . . . . . 1.85 . . . . . A . 1 DG H2' . . A . 1 DG H8 . . . 1 DG5 H2'1 . . . . . 1 DG5 H8 . . c17885_2lia 1 8 1 . . 1 1 1 1 DG H3' H . . . 1 1 1 1 DG H8 H . . . . . . . 3.24 . . . . . A . 1 DG H3' . . A . 1 DG H8 . . . 1 DG5 H3' . . . . . 1 DG5 H8 . . c17885_2lia 1 9 1 . . 1 1 2 2 DA H2'' H . . . 1 1 2 2 DA H1' H . . . . . . . 1.73 . . . . . A . 2 DA H2'' . . A . 2 DA H1' . . . 2 DA H2'2 . . . . . 2 DA H1' . . c17885_2lia 1 10 1 . . 1 1 2 2 DA H1' H . . . 1 1 2 2 DA H2' H . . . . . . . 2.34 . . . . . A . 2 DA H1' . . A . 2 DA H2' . . . 2 DA H1' . . . . . 2 DA H2'1 . . c17885_2lia 1 11 1 . . 1 1 2 2 DA H1' H . . . 1 1 2 2 DA H3' H . . . . . . . 3.32 . . . . . A . 2 DA H1' . . A . 2 DA H3' . . . 2 DA H1' . . . . . 2 DA H3' . . c17885_2lia 1 12 1 . . 1 1 2 2 DA H2'' H . . . 1 1 2 2 DA H3' H . . . . . . . 2.05 . . . . . A . 2 DA H2'' . . A . 2 DA H3' . . . 2 DA H2'2 . . . . . 2 DA H3' . . c17885_2lia 1 13 1 . . 1 1 2 2 DA H2' H . . . 1 1 2 2 DA H3' H . . . . . . . 2.23 . . . . . A . 2 DA H2' . . A . 2 DA H3' . . . 2 DA H2'1 . . . . . 2 DA H3' . . c17885_2lia 1 14 1 . . 1 1 1 1 DG H1' H . . . 1 1 2 2 DA H8 H . . . . . . . 3.23 . . . . . A . 1 DG H1' . . A . 2 DA H8 . . . 1 DG5 H1' . . . . . 2 DA H8 . . c17885_2lia 1 15 1 . . 1 1 1 1 DG H2'' H . . . 1 1 2 2 DA H8 H . . . . . . . 2.62 . . . . . A . 1 DG H2'' . . A . 2 DA H8 . . . 1 DG5 H2'2 . . . . . 2 DA H8 . . c17885_2lia 1 16 1 . . 1 1 1 1 DG H2' H . . . 1 1 2 2 DA H8 H . . . . . . . 2.68 . . . . . A . 1 DG H2' . . A . 2 DA H8 . . . 1 DG5 H2'1 . . . . . 2 DA H8 . . c17885_2lia 1 17 1 . . 1 1 1 1 DG H3' H . . . 1 1 2 2 DA H8 H . . . . . . . 4.15 . . . . . A . 1 DG H3' . . A . 2 DA H8 . . . 1 DG5 H3' . . . . . 2 DA H8 . . c17885_2lia 1 18 1 . . 1 1 2 2 DA H1' H . . . 1 1 2 2 DA H8 H . . . . . . . 3.14 . . . . . A . 2 DA H1' . . A . 2 DA H8 . . . 2 DA H1' . . . . . 2 DA H8 . . c17885_2lia 1 19 1 . . 1 1 2 2 DA H2'' H . . . 1 1 2 2 DA H8 H . . . . . . . 2.34 . . . . . A . 2 DA H2'' . . A . 2 DA H8 . . . 2 DA H2'2 . . . . . 2 DA H8 . . c17885_2lia 1 20 1 . . 1 1 2 2 DA H2' H . . . 1 1 2 2 DA H8 H . . . . . . . 2.12 . . . . . A . 2 DA H2' . . A . 2 DA H8 . . . 2 DA H2'1 . . . . . 2 DA H8 . . c17885_2lia 1 21 1 . . 1 1 2 2 DA H3' H . . . 1 1 2 2 DA H8 H . . . . . . . 3.24 . . . . . A . 2 DA H3' . . A . 2 DA H8 . . . 2 DA H3' . . . . . 2 DA H8 . . c17885_2lia 1 22 1 . . 1 1 3 3 DG H2'' H . . . 1 1 3 3 DG H1' H . . . . . . . 1.96 . . . . . A . 3 DG H2'' . . A . 3 DG H1' . . . 3 DG H2'2 . . . . . 3 DG H1' . . c17885_2lia 1 23 1 . . 1 1 3 3 DG H1' H . . . 1 1 3 3 DG H2' H . . . . . . . 2.70 . . . . . A . 3 DG H1' . . A . 3 DG H2' . . . 3 DG H1' . . . . . 3 DG H2'1 . . c17885_2lia 1 24 1 . . 1 1 3 3 DG H1' H . . . 1 1 3 3 DG H3' H . . . . . . . 2.91 . . . . . A . 3 DG H1' . . A . 3 DG H3' . . . 3 DG H1' . . . . . 3 DG H3' . . c17885_2lia 1 25 1 . . 1 1 3 3 DG H2'' H . . . 1 1 3 3 DG H3' H . . . . . . . 2.14 . . . . . A . 3 DG H2'' . . A . 3 DG H3' . . . 3 DG H2'2 . . . . . 3 DG H3' . . c17885_2lia 1 26 1 . . 1 1 3 3 DG H2' H . . . 1 1 3 3 DG H3' H . . . . . . . 2.36 . . . . . A . 3 DG H2' . . A . 3 DG H3' . . . 3 DG H2'1 . . . . . 3 DG H3' . . c17885_2lia 1 27 1 . . 1 1 2 2 DA H1' H . . . 1 1 3 3 DG H8 H . . . . . . . 3.39 . . . . . A . 2 DA H1' . . A . 3 DG H8 . . . 2 DA H1' . . . . . 3 DG H8 . . c17885_2lia 1 28 1 . . 1 1 2 2 DA H2'' H . . . 1 1 3 3 DG H8 H . . . . . . . 2.35 . . . . . A . 2 DA H2'' . . A . 3 DG H8 . . . 2 DA H2'2 . . . . . 3 DG H8 . . c17885_2lia 1 29 1 . . 1 1 2 2 DA H3' H . . . 1 1 3 3 DG H8 H . . . . . . . 3.31 . . . . . A . 2 DA H3' . . A . 3 DG H8 . . . 2 DA H3' . . . . . 3 DG H8 . . c17885_2lia 1 30 1 . . 1 1 2 2 DA H8 H . . . 1 1 3 3 DG H8 H . . . . . . . 3.72 . . . . . A . 2 DA H8 . . A . 3 DG H8 . . . 2 DA H8 . . . . . 3 DG H8 . . c17885_2lia 1 31 1 . . 1 1 3 3 DG H1' H . . . 1 1 3 3 DG H8 H . . . . . . . 3.13 . . . . . A . 3 DG H1' . . A . 3 DG H8 . . . 3 DG H1' . . . . . 3 DG H8 . . c17885_2lia 1 32 1 . . 1 1 3 3 DG H2'' H . . . 1 1 3 3 DG H8 H . . . . . . . 2.25 . . . . . A . 3 DG H2'' . . A . 3 DG H8 . . . 3 DG H2'2 . . . . . 3 DG H8 . . c17885_2lia 1 33 1 . . 1 1 3 3 DG H2' H . . . 1 1 3 3 DG H8 H . . . . . . . 2.40 . . . . . A . 3 DG H2' . . A . 3 DG H8 . . . 3 DG H2'1 . . . . . 3 DG H8 . . c17885_2lia 1 34 1 . . 1 1 3 3 DG H3' H . . . 1 1 3 3 DG H8 H . . . . . . . 3.37 . . . . . A . 3 DG H3' . . A . 3 DG H8 . . . 3 DG H3' . . . . . 3 DG H8 . . c17885_2lia 1 35 1 . . 1 1 4 4 DA H1' H . . . 1 1 4 4 DA H2'' H . . . . . . . 1.73 . . . . . A . 4 DA H1' . . A . 4 DA H2'' . . . 4 DA H1' . . . . . 4 DA H2'2 . . c17885_2lia 1 36 1 . . 1 1 4 4 DA H1' H . . . 1 1 4 4 DA H2' H . . . . . . . 2.05 . . . . . A . 4 DA H1' . . A . 4 DA H2' . . . 4 DA H1' . . . . . 4 DA H2'1 . . c17885_2lia 1 37 1 . . 1 1 4 4 DA H1' H . . . 1 1 4 4 DA H3' H . . . . . . . 3.06 . . . . . A . 4 DA H1' . . A . 4 DA H3' . . . 4 DA H1' . . . . . 4 DA H3' . . c17885_2lia 1 38 1 . . 1 1 4 4 DA H2'' H . . . 1 1 4 4 DA H3' H . . . . . . . 2.26 . . . . . A . 4 DA H2'' . . A . 4 DA H3' . . . 4 DA H2'2 . . . . . 4 DA H3' . . c17885_2lia 1 39 1 . . 1 1 4 4 DA H2' H . . . 1 1 4 4 DA H3' H . . . . . . . 1.92 . . . . . A . 4 DA H2' . . A . 4 DA H3' . . . 4 DA H2'1 . . . . . 4 DA H3' . . c17885_2lia 1 40 1 . . 1 1 3 3 DG H1' H . . . 1 1 4 4 DA H8 H . . . . . . . 2.76 . . . . . A . 3 DG H1' . . A . 4 DA H8 . . . 3 DG H1' . . . . . 4 DA H8 . . c17885_2lia 1 41 1 . . 1 1 3 3 DG H2'' H . . . 1 1 4 4 DA H8 H . . . . . . . 2.32 . . . . . A . 3 DG H2'' . . A . 4 DA H8 . . . 3 DG H2'2 . . . . . 4 DA H8 . . c17885_2lia 1 42 1 . . 1 1 3 3 DG H2' H . . . 1 1 4 4 DA H8 H . . . . . . . 2.93 . . . . . A . 3 DG H2' . . A . 4 DA H8 . . . 3 DG H2'1 . . . . . 4 DA H8 . . c17885_2lia 1 43 1 . . 1 1 3 3 DG H8 H . . . 1 1 4 4 DA H8 H . . . . . . . 3.68 . . . . . A . 3 DG H8 . . A . 4 DA H8 . . . 3 DG H8 . . . . . 4 DA H8 . . c17885_2lia 1 44 1 . . 1 1 4 4 DA H1' H . . . 1 1 4 4 DA H8 H . . . . . . . 3.18 . . . . . A . 4 DA H1' . . A . 4 DA H8 . . . 4 DA H1' . . . . . 4 DA H8 . . c17885_2lia 1 45 1 . . 1 1 4 4 DA H2'' H . . . 1 1 4 4 DA H8 H . . . . . . . 2.56 . . . . . A . 4 DA H2'' . . A . 4 DA H8 . . . 4 DA H2'2 . . . . . 4 DA H8 . . c17885_2lia 1 46 1 . . 1 1 4 4 DA H2' H . . . 1 1 4 4 DA H8 H . . . . . . . 1.95 . . . . . A . 4 DA H2' . . A . 4 DA H8 . . . 4 DA H2'1 . . . . . 4 DA H8 . . c17885_2lia 1 47 1 . . 1 1 4 4 DA H3' H . . . 1 1 4 4 DA H8 H . . . . . . . 3.07 . . . . . A . 4 DA H3' . . A . 4 DA H8 . . . 4 DA H3' . . . . . 4 DA H8 . . c17885_2lia 1 48 1 . . 1 1 6 6 DC H2'' H . . . 1 1 6 6 DC H1' H . . . . . . . 1.95 . . . . . A . 6 DC H2'' . . A . 6 DC H1' . . . 6 DC H2'2 . . . . . 6 DC H1' . . c17885_2lia 1 49 1 . . 1 1 6 6 DC H1' H . . . 1 1 6 6 DC H2' H . . . . . . . 2.26 . . . . . A . 6 DC H1' . . A . 6 DC H2' . . . 6 DC H1' . . . . . 6 DC H2'1 . . c17885_2lia 1 50 1 . . 1 1 6 6 DC H1' H . . . 1 1 6 6 DC H3' H . . . . . . . 3.41 . . . . . A . 6 DC H1' . . A . 6 DC H3' . . . 6 DC H1' . . . . . 6 DC H3' . . c17885_2lia 1 51 1 . . 1 1 6 6 DC H2' H . . . 1 1 6 6 DC H3' H . . . . . . . 2.33 . . . . . A . 6 DC H2' . . A . 6 DC H3' . . . 6 DC H2'1 . . . . . 6 DC H3' . . c17885_2lia 1 52 1 . . 1 1 6 6 DC H1' H . . . 1 1 6 6 DC H6 H . . . . . . . 3.10 . . . . . A . 6 DC H1' . . A . 6 DC H6 . . . 6 DC H1' . . . . . 6 DC H6 . . c17885_2lia 1 53 1 . . 1 1 6 6 DC H2'' H . . . 1 1 6 6 DC H6 H . . . . . . . 2.73 . . . . . A . 6 DC H2'' . . A . 6 DC H6 . . . 6 DC H2'2 . . . . . 6 DC H6 . . c17885_2lia 1 54 1 . . 1 1 6 6 DC H2' H . . . 1 1 6 6 DC H6 H . . . . . . . 2.19 . . . . . A . 6 DC H2' . . A . 6 DC H6 . . . 6 DC H2'1 . . . . . 6 DC H6 . . c17885_2lia 1 55 1 . . 1 1 6 6 DC H3' H . . . 1 1 6 6 DC H6 H . . . . . . . 3.13 . . . . . A . 6 DC H3' . . A . 6 DC H6 . . . 6 DC H3' . . . . . 6 DC H6 . . c17885_2lia 1 56 1 . . 1 1 6 6 DC H1' H . . . 1 1 6 6 DC H5 H . . . . . . . 3.87 . . . . . A . 6 DC H1' . . A . 6 DC H5 . . . 6 DC H1' . . . . . 6 DC H5 . . c17885_2lia 1 57 1 . . 1 1 6 6 DC H2'' H . . . 1 1 6 6 DC H5 H . . . . . . . 4.53 . . . . . A . 6 DC H2'' . . A . 6 DC H5 . . . 6 DC H2'2 . . . . . 6 DC H5 . . c17885_2lia 1 58 1 . . 1 1 6 6 DC H2' H . . . 1 1 6 6 DC H5 H . . . . . . . 3.09 . . . . . A . 6 DC H2' . . A . 6 DC H5 . . . 6 DC H2'1 . . . . . 6 DC H5 . . c17885_2lia 1 59 1 . . 1 1 6 6 DC H3' H . . . 1 1 6 6 DC H5 H . . . . . . . 4.08 . . . . . A . 6 DC H3' . . A . 6 DC H5 . . . 6 DC H3' . . . . . 6 DC H5 . . c17885_2lia 1 60 1 . . 1 1 7 7 DG H2'' H . . . 1 1 7 7 DG H1' H . . . . . . . 1.86 . . . . . A . 7 DG H2'' . . A . 7 DG H1' . . . 7 DG H2'2 . . . . . 7 DG H1' . . c17885_2lia 1 61 1 . . 1 1 7 7 DG H1' H . . . 1 1 7 7 DG H2' H . . . . . . . 2.09 . . . . . A . 7 DG H1' . . A . 7 DG H2' . . . 7 DG H1' . . . . . 7 DG H2'1 . . c17885_2lia 1 62 1 . . 1 1 7 7 DG H1' H . . . 1 1 7 7 DG H3' H . . . . . . . 3.02 . . . . . A . 7 DG H1' . . A . 7 DG H3' . . . 7 DG H1' . . . . . 7 DG H3' . . c17885_2lia 1 63 1 . . 1 1 7 7 DG H2'' H . . . 1 1 7 7 DG H3' H . . . . . . . 2.17 . . . . . A . 7 DG H2'' . . A . 7 DG H3' . . . 7 DG H2'2 . . . . . 7 DG H3' . . c17885_2lia 1 64 1 . . 1 1 7 7 DG H2' H . . . 1 1 7 7 DG H3' H . . . . . . . 2.22 . . . . . A . 7 DG H2' . . A . 7 DG H3' . . . 7 DG H2'1 . . . . . 7 DG H3' . . c17885_2lia 1 65 1 . . 1 1 6 6 DC H2' H . . . 1 1 7 7 DG H8 H . . . . . . . 2.48 . . . . . A . 6 DC H2' . . A . 7 DG H8 . . . 6 DC H2'1 . . . . . 7 DG H8 . . c17885_2lia 1 66 1 . . 1 1 6 6 DC H6 H . . . 1 1 7 7 DG H8 H . . . . . . . 3.65 . . . . . A . 6 DC H6 . . A . 7 DG H8 . . . 6 DC H6 . . . . . 7 DG H8 . . c17885_2lia 1 67 1 . . 1 1 7 7 DG H1' H . . . 1 1 7 7 DG H8 H . . . . . . . 2.61 . . . . . A . 7 DG H1' . . A . 7 DG H8 . . . 7 DG H1' . . . . . 7 DG H8 . . c17885_2lia 1 68 1 . . 1 1 7 7 DG H2'' H . . . 1 1 7 7 DG H8 H . . . . . . . 2.16 . . . . . A . 7 DG H2'' . . A . 7 DG H8 . . . 7 DG H2'2 . . . . . 7 DG H8 . . c17885_2lia 1 69 1 . . 1 1 7 7 DG H2' H . . . 1 1 7 7 DG H8 H . . . . . . . 1.78 . . . . . A . 7 DG H2' . . A . 7 DG H8 . . . 7 DG H2'1 . . . . . 7 DG H8 . . c17885_2lia 1 70 1 . . 1 1 7 7 DG H3' H . . . 1 1 7 7 DG H8 H . . . . . . . 3.10 . . . . . A . 7 DG H3' . . A . 7 DG H8 . . . 7 DG H3' . . . . . 7 DG H8 . . c17885_2lia 1 71 1 . . 1 1 8 8 DC H2'' H . . . 1 1 8 8 DC H1' H . . . . . . . 1.62 . . . . . A . 8 DC H2'' . . A . 8 DC H1' . . . 8 DC H2'2 . . . . . 8 DC H1' . . c17885_2lia 1 72 1 . . 1 1 8 8 DC H1' H . . . 1 1 8 8 DC H2' H . . . . . . . 2.31 . . . . . A . 8 DC H1' . . A . 8 DC H2' . . . 8 DC H1' . . . . . 8 DC H2'1 . . c17885_2lia 1 73 1 . . 1 1 8 8 DC H1' H . . . 1 1 8 8 DC H3' H . . . . . . . 3.03 . . . . . A . 8 DC H1' . . A . 8 DC H3' . . . 8 DC H1' . . . . . 8 DC H3' . . c17885_2lia 1 74 1 . . 1 1 8 8 DC H2'' H . . . 1 1 8 8 DC H3' H . . . . . . . 2.48 . . . . . A . 8 DC H2'' . . A . 8 DC H3' . . . 8 DC H2'2 . . . . . 8 DC H3' . . c17885_2lia 1 75 1 . . 1 1 8 8 DC H2' H . . . 1 1 8 8 DC H3' H . . . . . . . 2.26 . . . . . A . 8 DC H2' . . A . 8 DC H3' . . . 8 DC H2'1 . . . . . 8 DC H3' . . c17885_2lia 1 76 1 . . 1 1 7 7 DG H2'' H . . . 1 1 8 8 DC H6 H . . . . . . . 2.21 . . . . . A . 7 DG H2'' . . A . 8 DC H6 . . . 7 DG H2'2 . . . . . 8 DC H6 . . c17885_2lia 1 77 1 . . 1 1 7 7 DG H2' H . . . 1 1 8 8 DC H6 H . . . . . . . 2.64 . . . . . A . 7 DG H2' . . A . 8 DC H6 . . . 7 DG H2'1 . . . . . 8 DC H6 . . c17885_2lia 1 78 1 . . 1 1 7 7 DG H3' H . . . 1 1 8 8 DC H6 H . . . . . . . 3.65 . . . . . A . 7 DG H3' . . A . 8 DC H6 . . . 7 DG H3' . . . . . 8 DC H6 . . c17885_2lia 1 79 1 . . 1 1 7 7 DG H8 H . . . 1 1 8 8 DC H6 H . . . . . . . 3.23 . . . . . A . 7 DG H8 . . A . 8 DC H6 . . . 7 DG H8 . . . . . 8 DC H6 . . c17885_2lia 1 80 1 . . 1 1 8 8 DC H1' H . . . 1 1 8 8 DC H6 H . . . . . . . 2.35 . . . . . A . 8 DC H1' . . A . 8 DC H6 . . . 8 DC H1' . . . . . 8 DC H6 . . c17885_2lia 1 81 1 . . 1 1 8 8 DC H2'' H . . . 1 1 8 8 DC H6 H . . . . . . . 2.73 . . . . . A . 8 DC H2'' . . A . 8 DC H6 . . . 8 DC H2'2 . . . . . 8 DC H6 . . c17885_2lia 1 82 1 . . 1 1 8 8 DC H2' H . . . 1 1 8 8 DC H6 H . . . . . . . 2.19 . . . . . A . 8 DC H2' . . A . 8 DC H6 . . . 8 DC H2'1 . . . . . 8 DC H6 . . c17885_2lia 1 83 1 . . 1 1 8 8 DC H3' H . . . 1 1 8 8 DC H6 H . . . . . . . 3.13 . . . . . A . 8 DC H3' . . A . 8 DC H6 . . . 8 DC H3' . . . . . 8 DC H6 . . c17885_2lia 1 84 1 . . 1 1 7 7 DG H1' H . . . 1 1 8 8 DC H5 H . . . . . . . 3.50 . . . . . A . 7 DG H1' . . A . 8 DC H5 . . . 7 DG H1' . . . . . 8 DC H5 . . c17885_2lia 1 85 1 . . 1 1 7 7 DG H2'' H . . . 1 1 8 8 DC H5 H . . . . . . . 2.66 . . . . . A . 7 DG H2'' . . A . 8 DC H5 . . . 7 DG H2'2 . . . . . 8 DC H5 . . c17885_2lia 1 86 1 . . 1 1 7 7 DG H2' H . . . 1 1 8 8 DC H5 H . . . . . . . 3.11 . . . . . A . 7 DG H2' . . A . 8 DC H5 . . . 7 DG H2'1 . . . . . 8 DC H5 . . c17885_2lia 1 87 1 . . 1 1 7 7 DG H3' H . . . 1 1 8 8 DC H5 H . . . . . . . 3.64 . . . . . A . 7 DG H3' . . A . 8 DC H5 . . . 7 DG H3' . . . . . 8 DC H5 . . c17885_2lia 1 88 1 . . 1 1 7 7 DG H8 H . . . 1 1 8 8 DC H5 H . . . . . . . 3.25 . . . . . A . 7 DG H8 . . A . 8 DC H5 . . . 7 DG H8 . . . . . 8 DC H5 . . c17885_2lia 1 89 1 . . 1 1 8 8 DC H2' H . . . 1 1 8 8 DC H5 H . . . . . . . 3.35 . . . . . A . 8 DC H2' . . A . 8 DC H5 . . . 8 DC H2'1 . . . . . 8 DC H5 . . c17885_2lia 1 90 1 . . 1 1 8 8 DC H3' H . . . 1 1 8 8 DC H5 H . . . . . . . 3.79 . . . . . A . 8 DC H3' . . A . 8 DC H5 . . . 8 DC H3' . . . . . 8 DC H5 . . c17885_2lia 1 91 1 . . 1 1 8 8 DC H1' H . . . 1 1 9 9 DT H2'' H . . . . . . . 2.49 . . . . . A . 8 DC H1' . . A . 9 DT H2'' . . . 8 DC H1' . . . . . 9 DT H2'2 . . c17885_2lia 1 92 1 . . 1 1 9 9 DT H2'' H . . . 1 1 9 9 DT H1' H . . . . . . . 1.90 . . . . . A . 9 DT H2'' . . A . 9 DT H1' . . . 9 DT H2'2 . . . . . 9 DT H1' . . c17885_2lia 1 93 1 . . 1 1 8 8 DC H2' H . . . 1 1 9 9 DT H3' H . . . . . . . 3.19 . . . . . A . 8 DC H2' . . A . 9 DT H3' . . . 8 DC H2'1 . . . . . 9 DT H3' . . c17885_2lia 1 94 1 . . 1 1 9 9 DT H1' H . . . 1 1 9 9 DT H3' H . . . . . . . 2.17 . . . . . A . 9 DT H1' . . A . 9 DT H3' . . . 9 DT H1' . . . . . 9 DT H3' . . c17885_2lia 1 95 1 . . 1 1 9 9 DT H2'' H . . . 1 1 9 9 DT H3' H . . . . . . . 2.06 . . . . . A . 9 DT H2'' . . A . 9 DT H3' . . . 9 DT H2'2 . . . . . 9 DT H3' . . c17885_2lia 1 96 1 . . 1 1 8 8 DC H1' H . . . 1 1 9 9 DT H6 H . . . . . . . 2.23 . . . . . A . 8 DC H1' . . A . 9 DT H6 . . . 8 DC H1' . . . . . 9 DT H6 . . c17885_2lia 1 97 1 . . 1 1 8 8 DC H2' H . . . 1 1 9 9 DT H6 H . . . . . . . 2.18 . . . . . A . 8 DC H2' . . A . 9 DT H6 . . . 8 DC H2'1 . . . . . 9 DT H6 . . c17885_2lia 1 98 1 . . 1 1 8 8 DC H3' H . . . 1 1 9 9 DT H6 H . . . . . . . 3.41 . . . . . A . 8 DC H3' . . A . 9 DT H6 . . . 8 DC H3' . . . . . 9 DT H6 . . c17885_2lia 1 99 1 . . 1 1 9 9 DT H1' H . . . 1 1 9 9 DT H6 H . . . . . . . 2.03 . . . . . A . 9 DT H1' . . A . 9 DT H6 . . . 9 DT H1' . . . . . 9 DT H6 . . c17885_2lia 1 100 1 . . 1 1 9 9 DT H2'' H . . . 1 1 9 9 DT H6 H . . . . . . . 1.65 . . . . . A . 9 DT H2'' . . A . 9 DT H6 . . . 9 DT H2'2 . . . . . 9 DT H6 . . c17885_2lia 1 101 1 . . 1 1 9 9 DT H3' H . . . 1 1 9 9 DT H6 H . . . . . . . 2.85 . . . . . A . 9 DT H3' . . A . 9 DT H6 . . . 9 DT H3' . . . . . 9 DT H6 . . c17885_2lia 1 102 1 . . 1 1 8 8 DC H1' H . . . 1 1 9 9 DT M7 H . . . . . . . 2.89 . . . . . A . 8 DC H1' . . A . 9 DT M7 . . . 8 DC H1' . . . . . 9 DT M7 . . c17885_2lia 1 103 1 . . 1 1 8 8 DC H2'' H . . . 1 1 9 9 DT M7 H . . . . . . . 3.14 . . . . . A . 8 DC H2'' . . A . 9 DT M7 . . . 8 DC H2'2 . . . . . 9 DT M7 . . c17885_2lia 1 104 1 . . 1 1 8 8 DC H2' H . . . 1 1 9 9 DT M7 H . . . . . . . 2.75 . . . . . A . 8 DC H2' . . A . 9 DT M7 . . . 8 DC H2'1 . . . . . 9 DT M7 . . c17885_2lia 1 105 1 . . 1 1 8 8 DC H3' H . . . 1 1 9 9 DT M7 H . . . . . . . 3.47 . . . . . A . 8 DC H3' . . A . 9 DT M7 . . . 8 DC H3' . . . . . 9 DT M7 . . c17885_2lia 1 106 1 . . 1 1 8 8 DC H6 H . . . 1 1 9 9 DT M7 H . . . . . . . 2.81 . . . . . A . 8 DC H6 . . A . 9 DT M7 . . . 8 DC H6 . . . . . 9 DT M7 . . c17885_2lia 1 107 1 . . 1 1 8 8 DC H5 H . . . 1 1 9 9 DT M7 H . . . . . . . 3.08 . . . . . A . 8 DC H5 . . A . 9 DT M7 . . . 8 DC H5 . . . . . 9 DT M7 . . c17885_2lia 1 108 1 . . 1 1 9 9 DT H1' H . . . 1 1 9 9 DT M7 H . . . . . . . 2.68 . . . . . A . 9 DT H1' . . A . 9 DT M7 . . . 9 DT H1' . . . . . 9 DT M7 . . c17885_2lia 1 109 1 . . 1 1 9 9 DT H2'' H . . . 1 1 9 9 DT M7 H . . . . . . . 2.36 . . . . . A . 9 DT H2'' . . A . 9 DT M7 . . . 9 DT H2'2 . . . . . 9 DT M7 . . c17885_2lia 1 110 1 . . 1 1 9 9 DT H3' H . . . 1 1 9 9 DT M7 H . . . . . . . 3.83 . . . . . A . 9 DT H3' . . A . 9 DT M7 . . . 9 DT H3' . . . . . 9 DT M7 . . c17885_2lia 1 111 1 . . 1 1 9 9 DT H6 H . . . 1 1 9 9 DT M7 H . . . . . . . 2.37 . . . . . A . 9 DT H6 . . A . 9 DT M7 . . . 9 DT H6 . . . . . 9 DT M7 . . c17885_2lia 1 112 1 . . 1 1 10 10 DC H1' H . . . 1 1 9 9 DT H2' H . . . . . . . 1.97 . . . . . A . 10 DC H1' . . A . 9 DT H2' . . . 10 DC H1' . . . . . 9 DT H2'1 . . c17885_2lia 1 113 1 . . 1 1 9 9 DT H1' H . . . 1 1 10 10 DC H2'' H . . . . . . . 1.72 . . . . . A . 9 DT H1' . . A . 10 DC H2'' . . . 9 DT H1' . . . . . 10 DC H2'2 . . c17885_2lia 1 114 1 . . 1 1 9 9 DT H3' H . . . 1 1 10 10 DC H2' H . . . . . . . 2.45 . . . . . A . 9 DT H3' . . A . 10 DC H2' . . . 9 DT H3' . . . . . 10 DC H2'1 . . c17885_2lia 1 115 1 . . 1 1 9 9 DT M7 H . . . 1 1 10 10 DC H2' H . . . . . . . 3.18 . . . . . A . 9 DT M7 . . A . 10 DC H2' . . . 9 DT M7 . . . . . 10 DC H2'1 . . c17885_2lia 1 116 1 . . 1 1 10 10 DC H1' H . . . 1 1 10 10 DC H2' H . . . . . . . 2.01 . . . . . A . 10 DC H1' . . A . 10 DC H2' . . . 10 DC H1' . . . . . 10 DC H2'1 . . c17885_2lia 1 117 1 . . 1 1 9 9 DT H2' H . . . 1 1 10 10 DC H3' H . . . . . . . 1.89 . . . . . A . 9 DT H2' . . A . 10 DC H3' . . . 9 DT H2'1 . . . . . 10 DC H3' . . c17885_2lia 1 118 1 . . 1 1 10 10 DC H1' H . . . 1 1 10 10 DC H3' H . . . . . . . 3.06 . . . . . A . 10 DC H1' . . A . 10 DC H3' . . . 10 DC H1' . . . . . 10 DC H3' . . c17885_2lia 1 119 1 . . 1 1 10 10 DC H2'' H . . . 1 1 10 10 DC H3' H . . . . . . . 2.05 . . . . . A . 10 DC H2'' . . A . 10 DC H3' . . . 10 DC H2'2 . . . . . 10 DC H3' . . c17885_2lia 1 120 1 . . 1 1 9 9 DT H1' H . . . 1 1 10 10 DC H6 H . . . . . . . 2.58 . . . . . A . 9 DT H1' . . A . 10 DC H6 . . . 9 DT H1' . . . . . 10 DC H6 . . c17885_2lia 1 121 1 . . 1 1 9 9 DT H2'' H . . . 1 1 10 10 DC H6 H . . . . . . . 2.30 . . . . . A . 9 DT H2'' . . A . 10 DC H6 . . . 9 DT H2'2 . . . . . 10 DC H6 . . c17885_2lia 1 122 1 . . 1 1 9 9 DT H2' H . . . 1 1 10 10 DC H6 H . . . . . . . 1.77 . . . . . A . 9 DT H2' . . A . 10 DC H6 . . . 9 DT H2'1 . . . . . 10 DC H6 . . c17885_2lia 1 123 1 . . 1 1 9 9 DT H3' H . . . 1 1 10 10 DC H6 H . . . . . . . 3.84 . . . . . A . 9 DT H3' . . A . 10 DC H6 . . . 9 DT H3' . . . . . 10 DC H6 . . c17885_2lia 1 124 1 . . 1 1 10 10 DC H1' H . . . 1 1 10 10 DC H6 H . . . . . . . 2.55 . . . . . A . 10 DC H1' . . A . 10 DC H6 . . . 10 DC H1' . . . . . 10 DC H6 . . c17885_2lia 1 125 1 . . 1 1 10 10 DC H2' H . . . 1 1 10 10 DC H6 H . . . . . . . 2.05 . . . . . A . 10 DC H2' . . A . 10 DC H6 . . . 10 DC H2'1 . . . . . 10 DC H6 . . c17885_2lia 1 126 1 . . 1 1 10 10 DC H3' H . . . 1 1 10 10 DC H6 H . . . . . . . 3.04 . . . . . A . 10 DC H3' . . A . 10 DC H6 . . . 10 DC H3' . . . . . 10 DC H6 . . c17885_2lia 1 127 1 . . 1 1 9 9 DT H1' H . . . 1 1 10 10 DC H5 H . . . . . . . 3.25 . . . . . A . 9 DT H1' . . A . 10 DC H5 . . . 9 DT H1' . . . . . 10 DC H5 . . c17885_2lia 1 128 1 . . 1 1 9 9 DT H2'' H . . . 1 1 10 10 DC H5 H . . . . . . . 2.60 . . . . . A . 9 DT H2'' . . A . 10 DC H5 . . . 9 DT H2'2 . . . . . 10 DC H5 . . c17885_2lia 1 129 1 . . 1 1 9 9 DT H3' H . . . 1 1 10 10 DC H5 H . . . . . . . 3.60 . . . . . A . 9 DT H3' . . A . 10 DC H5 . . . 9 DT H3' . . . . . 10 DC H5 . . c17885_2lia 1 130 1 . . 1 1 9 9 DT H6 H . . . 1 1 10 10 DC H5 H . . . . . . . 2.85 . . . . . A . 9 DT H6 . . A . 10 DC H5 . . . 9 DT H6 . . . . . 10 DC H5 . . c17885_2lia 1 131 1 . . 1 1 9 9 DT M7 H . . . 1 1 10 10 DC H5 H . . . . . . . 3.21 . . . . . A . 9 DT M7 . . A . 10 DC H5 . . . 9 DT M7 . . . . . 10 DC H5 . . c17885_2lia 1 132 1 . . 1 1 10 10 DC H1' H . . . 1 1 10 10 DC H5 H . . . . . . . 3.33 . . . . . A . 10 DC H1' . . A . 10 DC H5 . . . 10 DC H1' . . . . . 10 DC H5 . . c17885_2lia 1 133 1 . . 1 1 10 10 DC H2' H . . . 1 1 10 10 DC H5 H . . . . . . . 2.56 . . . . . A . 10 DC H2' . . A . 10 DC H5 . . . 10 DC H2'1 . . . . . 10 DC H5 . . c17885_2lia 1 134 1 . . 1 1 10 10 DC H3' H . . . 1 1 10 10 DC H5 H . . . . . . . 3.70 . . . . . A . 10 DC H3' . . A . 10 DC H5 . . . 10 DC H3' . . . . . 10 DC H5 . . c17885_2lia 1 135 1 . . 1 1 10 10 DC H2' H . . . 1 1 11 11 DT H1' H . . . . . . . 1.95 . . . . . A . 10 DC H2' . . A . 11 DT H1' . . . 10 DC H2'1 . . . . . 11 DT H1' . . c17885_2lia 1 136 1 . . 1 1 11 11 DT H1' H . . . 1 1 11 11 DT H2' H . . . . . . . 2.12 . . . . . A . 11 DT H1' . . A . 11 DT H2' . . . 11 DT H1' . . . . . 11 DT H2'1 . . c17885_2lia 1 137 1 . . 1 1 10 10 DC H1' H . . . 1 1 11 11 DT H3' H . . . . . . . 2.31 . . . . . A . 10 DC H1' . . A . 11 DT H3' . . . 10 DC H1' . . . . . 11 DT H3' . . c17885_2lia 1 138 1 . . 1 1 10 10 DC H2'' H . . . 1 1 11 11 DT H3' H . . . . . . . 1.85 . . . . . A . 10 DC H2'' . . A . 11 DT H3' . . . 10 DC H2'2 . . . . . 11 DT H3' . . c17885_2lia 1 139 1 . . 1 1 11 11 DT H1' H . . . 1 1 11 11 DT H3' H . . . . . . . 2.19 . . . . . A . 11 DT H1' . . A . 11 DT H3' . . . 11 DT H1' . . . . . 11 DT H3' . . c17885_2lia 1 140 1 . . 1 1 11 11 DT H2' H . . . 1 1 11 11 DT H3' H . . . . . . . 1.80 . . . . . A . 11 DT H2' . . A . 11 DT H3' . . . 11 DT H2'1 . . . . . 11 DT H3' . . c17885_2lia 1 141 1 . . 1 1 10 10 DC H1' H . . . 1 1 11 11 DT H6 H . . . . . . . 2.06 . . . . . A . 10 DC H1' . . A . 11 DT H6 . . . 10 DC H1' . . . . . 11 DT H6 . . c17885_2lia 1 142 1 . . 1 1 10 10 DC H2' H . . . 1 1 11 11 DT H6 H . . . . . . . 2.08 . . . . . A . 10 DC H2' . . A . 11 DT H6 . . . 10 DC H2'1 . . . . . 11 DT H6 . . c17885_2lia 1 143 1 . . 1 1 10 10 DC H3' H . . . 1 1 11 11 DT H6 H . . . . . . . 2.55 . . . . . A . 10 DC H3' . . A . 11 DT H6 . . . 10 DC H3' . . . . . 11 DT H6 . . c17885_2lia 1 144 1 . . 1 1 11 11 DT H1' H . . . 1 1 11 11 DT H6 H . . . . . . . 1.88 . . . . . A . 11 DT H1' . . A . 11 DT H6 . . . 11 DT H1' . . . . . 11 DT H6 . . c17885_2lia 1 145 1 . . 1 1 11 11 DT H2' H . . . 1 1 11 11 DT H6 H . . . . . . . 1.67 . . . . . A . 11 DT H2' . . A . 11 DT H6 . . . 11 DT H2'1 . . . . . 11 DT H6 . . c17885_2lia 1 146 1 . . 1 1 10 10 DC H1' H . . . 1 1 11 11 DT M7 H . . . . . . . 3.03 . . . . . A . 10 DC H1' . . A . 11 DT M7 . . . 10 DC H1' . . . . . 11 DT M7 . . c17885_2lia 1 147 1 . . 1 1 10 10 DC H2'' H . . . 1 1 11 11 DT M7 H . . . . . . . 3.01 . . . . . A . 10 DC H2'' . . A . 11 DT M7 . . . 10 DC H2'2 . . . . . 11 DT M7 . . c17885_2lia 1 148 1 . . 1 1 10 10 DC H3' H . . . 1 1 11 11 DT M7 H . . . . . . . 3.43 . . . . . A . 10 DC H3' . . A . 11 DT M7 . . . 10 DC H3' . . . . . 11 DT M7 . . c17885_2lia 1 149 1 . . 1 1 10 10 DC H6 H . . . 1 1 11 11 DT M7 H . . . . . . . 2.48 . . . . . A . 10 DC H6 . . A . 11 DT M7 . . . 10 DC H6 . . . . . 11 DT M7 . . c17885_2lia 1 150 1 . . 1 1 10 10 DC H5 H . . . 1 1 11 11 DT M7 H . . . . . . . 2.82 . . . . . A . 10 DC H5 . . A . 11 DT M7 . . . 10 DC H5 . . . . . 11 DT M7 . . c17885_2lia 1 151 1 . . 1 1 11 11 DT H1' H . . . 1 1 11 11 DT M7 H . . . . . . . 2.46 . . . . . A . 11 DT H1' . . A . 11 DT M7 . . . 11 DT H1' . . . . . 11 DT M7 . . c17885_2lia 1 152 1 . . 1 1 11 11 DT H2' H . . . 1 1 11 11 DT M7 H . . . . . . . 2.55 . . . . . A . 11 DT H2' . . A . 11 DT M7 . . . 11 DT H2'1 . . . . . 11 DT M7 . . c17885_2lia 1 153 1 . . 1 1 11 11 DT H3' H . . . 1 1 11 11 DT M7 H . . . . . . . 2.98 . . . . . A . 11 DT H3' . . A . 11 DT M7 . . . 11 DT H3' . . . . . 11 DT M7 . . c17885_2lia 1 154 1 . . 1 1 11 11 DT H6 H . . . 1 1 11 11 DT M7 H . . . . . . . 2.23 . . . . . A . 11 DT H6 . . A . 11 DT M7 . . . 11 DT H6 . . . . . 11 DT M7 . . c17885_2lia 1 155 1 . . 1 1 12 12 DC H1' H . . . 1 1 11 11 DT H2'' H . . . . . . . 1.72 . . . . . A . 12 DC H1' . . A . 11 DT H2'' . . . 12 DC3 H1' . . . . . 11 DT H2'2 . . c17885_2lia 1 156 1 . . 1 1 11 11 DT H2'' H . . . 1 1 12 12 DC H3' H . . . . . . . 2.02 . . . . . A . 11 DT H2'' . . A . 12 DC H3' . . . 11 DT H2'2 . . . . . 12 DC3 H3' . . c17885_2lia 1 157 1 . . 1 1 12 12 DC H1' H . . . 1 1 12 12 DC H3' H . . . . . . . 3.47 . . . . . A . 12 DC H1' . . A . 12 DC H3' . . . 12 DC3 H1' . . . . . 12 DC3 H3' . . c17885_2lia 1 158 1 . . 1 1 11 11 DT H1' H . . . 1 1 12 12 DC H6 H . . . . . . . 2.67 . . . . . A . 11 DT H1' . . A . 12 DC H6 . . . 11 DT H1' . . . . . 12 DC3 H6 . . c17885_2lia 1 159 1 . . 1 1 11 11 DT H2'' H . . . 1 1 12 12 DC H6 H . . . . . . . 1.85 . . . . . A . 11 DT H2'' . . A . 12 DC H6 . . . 11 DT H2'2 . . . . . 12 DC3 H6 . . c17885_2lia 1 160 1 . . 1 1 11 11 DT H2' H . . . 1 1 12 12 DC H6 H . . . . . . . 2.17 . . . . . A . 11 DT H2' . . A . 12 DC H6 . . . 11 DT H2'1 . . . . . 12 DC3 H6 . . c17885_2lia 1 161 1 . . 1 1 11 11 DT H3' H . . . 1 1 12 12 DC H6 H . . . . . . . 2.93 . . . . . A . 11 DT H3' . . A . 12 DC H6 . . . 11 DT H3' . . . . . 12 DC3 H6 . . c17885_2lia 1 162 1 . . 1 1 11 11 DT H6 H . . . 1 1 12 12 DC H6 H . . . . . . . 2.58 . . . . . A . 11 DT H6 . . A . 12 DC H6 . . . 11 DT H6 . . . . . 12 DC3 H6 . . c17885_2lia 1 163 1 . . 1 1 12 12 DC H1' H . . . 1 1 12 12 DC H6 H . . . . . . . 2.26 . . . . . A . 12 DC H1' . . A . 12 DC H6 . . . 12 DC3 H1' . . . . . 12 DC3 H6 . . c17885_2lia 1 164 1 . . 1 1 12 12 DC H3' H . . . 1 1 12 12 DC H6 H . . . . . . . 2.42 . . . . . A . 12 DC H3' . . A . 12 DC H6 . . . 12 DC3 H3' . . . . . 12 DC3 H6 . . c17885_2lia 1 165 1 . . 1 1 11 11 DT H2' H . . . 1 1 12 12 DC H5 H . . . . . . . 3.03 . . . . . A . 11 DT H2' . . A . 12 DC H5 . . . 11 DT H2'1 . . . . . 12 DC3 H5 . . c17885_2lia 1 166 1 . . 1 1 11 11 DT H3' H . . . 1 1 12 12 DC H5 H . . . . . . . 3.40 . . . . . A . 11 DT H3' . . A . 12 DC H5 . . . 11 DT H3' . . . . . 12 DC3 H5 . . c17885_2lia 1 167 1 . . 1 1 11 11 DT M7 H . . . 1 1 12 12 DC H5 H . . . . . . . 3.45 . . . . . A . 11 DT M7 . . A . 12 DC H5 . . . 11 DT M7 . . . . . 12 DC3 H5 . . c17885_2lia 1 168 1 . . 1 1 12 12 DC H1' H . . . 1 1 12 12 DC H5 H . . . . . . . 3.43 . . . . . A . 12 DC H1' . . A . 12 DC H5 . . . 12 DC3 H1' . . . . . 12 DC3 H5 . . c17885_2lia 1 169 1 . . 1 1 12 12 DC H3' H . . . 1 1 12 12 DC H5 H . . . . . . . 4.06 . . . . . A . 12 DC H3' . . A . 12 DC H5 . . . 12 DC3 H3' . . . . . 12 DC3 H5 . . c17885_2lia 1 170 1 . . 2 1 1 1 DG H2'' H . . . 2 1 1 1 DG H1' H . . . . . . . 1.94 . . . . . B . 13 DG H2'' . . B . 13 DG H1' . . . 13 DG5 H2'2 . . . . . 13 DG5 H1' . . c17885_2lia 1 171 1 . . 2 1 1 1 DG H1' H . . . 2 1 1 1 DG H2' H . . . . . . . 2.16 . . . . . B . 13 DG H1' . . B . 13 DG H2' . . . 13 DG5 H1' . . . . . 13 DG5 H2'1 . . c17885_2lia 1 172 1 . . 2 1 1 1 DG H1' H . . . 2 1 1 1 DG H3' H . . . . . . . 2.95 . . . . . B . 13 DG H1' . . B . 13 DG H3' . . . 13 DG5 H1' . . . . . 13 DG5 H3' . . c17885_2lia 1 173 1 . . 2 1 1 1 DG H2'' H . . . 2 1 1 1 DG H3' H . . . . . . . 2.26 . . . . . B . 13 DG H2'' . . B . 13 DG H3' . . . 13 DG5 H2'2 . . . . . 13 DG5 H3' . . c17885_2lia 1 174 1 . . 2 1 1 1 DG H2' H . . . 2 1 1 1 DG H3' H . . . . . . . 1.70 . . . . . B . 13 DG H2' . . B . 13 DG H3' . . . 13 DG5 H2'1 . . . . . 13 DG5 H3' . . c17885_2lia 1 175 1 . . 2 1 1 1 DG H1' H . . . 2 1 1 1 DG H8 H . . . . . . . 2.80 . . . . . B . 13 DG H1' . . B . 13 DG H8 . . . 13 DG5 H1' . . . . . 13 DG5 H8 . . c17885_2lia 1 176 1 . . 2 1 1 1 DG H2' H . . . 2 1 1 1 DG H8 H . . . . . . . 1.85 . . . . . B . 13 DG H2' . . B . 13 DG H8 . . . 13 DG5 H2'1 . . . . . 13 DG5 H8 . . c17885_2lia 1 177 1 . . 2 1 1 1 DG H3' H . . . 2 1 1 1 DG H8 H . . . . . . . 3.24 . . . . . B . 13 DG H3' . . B . 13 DG H8 . . . 13 DG5 H3' . . . . . 13 DG5 H8 . . c17885_2lia 1 178 1 . . 2 1 2 2 DA H2'' H . . . 2 1 2 2 DA H1' H . . . . . . . 1.73 . . . . . B . 14 DA H2'' . . B . 14 DA H1' . . . 14 DA H2'2 . . . . . 14 DA H1' . . c17885_2lia 1 179 1 . . 2 1 2 2 DA H1' H . . . 2 1 2 2 DA H2' H . . . . . . . 2.34 . . . . . B . 14 DA H1' . . B . 14 DA H2' . . . 14 DA H1' . . . . . 14 DA H2'1 . . c17885_2lia 1 180 1 . . 2 1 2 2 DA H1' H . . . 2 1 2 2 DA H3' H . . . . . . . 3.32 . . . . . B . 14 DA H1' . . B . 14 DA H3' . . . 14 DA H1' . . . . . 14 DA H3' . . c17885_2lia 1 181 1 . . 2 1 2 2 DA H2'' H . . . 2 1 2 2 DA H3' H . . . . . . . 2.05 . . . . . B . 14 DA H2'' . . B . 14 DA H3' . . . 14 DA H2'2 . . . . . 14 DA H3' . . c17885_2lia 1 182 1 . . 2 1 2 2 DA H2' H . . . 2 1 2 2 DA H3' H . . . . . . . 2.23 . . . . . B . 14 DA H2' . . B . 14 DA H3' . . . 14 DA H2'1 . . . . . 14 DA H3' . . c17885_2lia 1 183 1 . . 2 1 1 1 DG H1' H . . . 2 1 2 2 DA H8 H . . . . . . . 3.23 . . . . . B . 13 DG H1' . . B . 14 DA H8 . . . 13 DG5 H1' . . . . . 14 DA H8 . . c17885_2lia 1 184 1 . . 2 1 1 1 DG H2'' H . . . 2 1 2 2 DA H8 H . . . . . . . 2.62 . . . . . B . 13 DG H2'' . . B . 14 DA H8 . . . 13 DG5 H2'2 . . . . . 14 DA H8 . . c17885_2lia 1 185 1 . . 2 1 1 1 DG H2' H . . . 2 1 2 2 DA H8 H . . . . . . . 2.68 . . . . . B . 13 DG H2' . . B . 14 DA H8 . . . 13 DG5 H2'1 . . . . . 14 DA H8 . . c17885_2lia 1 186 1 . . 2 1 1 1 DG H3' H . . . 2 1 2 2 DA H8 H . . . . . . . 4.15 . . . . . B . 13 DG H3' . . B . 14 DA H8 . . . 13 DG5 H3' . . . . . 14 DA H8 . . c17885_2lia 1 187 1 . . 2 1 2 2 DA H1' H . . . 2 1 2 2 DA H8 H . . . . . . . 3.14 . . . . . B . 14 DA H1' . . B . 14 DA H8 . . . 14 DA H1' . . . . . 14 DA H8 . . c17885_2lia 1 188 1 . . 2 1 2 2 DA H2'' H . . . 2 1 2 2 DA H8 H . . . . . . . 2.34 . . . . . B . 14 DA H2'' . . B . 14 DA H8 . . . 14 DA H2'2 . . . . . 14 DA H8 . . c17885_2lia 1 189 1 . . 2 1 2 2 DA H2' H . . . 2 1 2 2 DA H8 H . . . . . . . 2.12 . . . . . B . 14 DA H2' . . B . 14 DA H8 . . . 14 DA H2'1 . . . . . 14 DA H8 . . c17885_2lia 1 190 1 . . 2 1 2 2 DA H3' H . . . 2 1 2 2 DA H8 H . . . . . . . 3.24 . . . . . B . 14 DA H3' . . B . 14 DA H8 . . . 14 DA H3' . . . . . 14 DA H8 . . c17885_2lia 1 191 1 . . 2 1 3 3 DG H2'' H . . . 2 1 3 3 DG H1' H . . . . . . . 1.96 . . . . . B . 15 DG H2'' . . B . 15 DG H1' . . . 15 DG H2'2 . . . . . 15 DG H1' . . c17885_2lia 1 192 1 . . 2 1 3 3 DG H1' H . . . 2 1 3 3 DG H2' H . . . . . . . 2.70 . . . . . B . 15 DG H1' . . B . 15 DG H2' . . . 15 DG H1' . . . . . 15 DG H2'1 . . c17885_2lia 1 193 1 . . 2 1 3 3 DG H1' H . . . 2 1 3 3 DG H3' H . . . . . . . 2.91 . . . . . B . 15 DG H1' . . B . 15 DG H3' . . . 15 DG H1' . . . . . 15 DG H3' . . c17885_2lia 1 194 1 . . 2 1 3 3 DG H2'' H . . . 2 1 3 3 DG H3' H . . . . . . . 2.14 . . . . . B . 15 DG H2'' . . B . 15 DG H3' . . . 15 DG H2'2 . . . . . 15 DG H3' . . c17885_2lia 1 195 1 . . 2 1 3 3 DG H2' H . . . 2 1 3 3 DG H3' H . . . . . . . 2.36 . . . . . B . 15 DG H2' . . B . 15 DG H3' . . . 15 DG H2'1 . . . . . 15 DG H3' . . c17885_2lia 1 196 1 . . 2 1 2 2 DA H1' H . . . 2 1 3 3 DG H8 H . . . . . . . 3.39 . . . . . B . 14 DA H1' . . B . 15 DG H8 . . . 14 DA H1' . . . . . 15 DG H8 . . c17885_2lia 1 197 1 . . 2 1 2 2 DA H2'' H . . . 2 1 3 3 DG H8 H . . . . . . . 2.35 . . . . . B . 14 DA H2'' . . B . 15 DG H8 . . . 14 DA H2'2 . . . . . 15 DG H8 . . c17885_2lia 1 198 1 . . 2 1 2 2 DA H3' H . . . 2 1 3 3 DG H8 H . . . . . . . 3.31 . . . . . B . 14 DA H3' . . B . 15 DG H8 . . . 14 DA H3' . . . . . 15 DG H8 . . c17885_2lia 1 199 1 . . 2 1 2 2 DA H8 H . . . 2 1 3 3 DG H8 H . . . . . . . 3.72 . . . . . B . 14 DA H8 . . B . 15 DG H8 . . . 14 DA H8 . . . . . 15 DG H8 . . c17885_2lia 1 200 1 . . 2 1 3 3 DG H1' H . . . 2 1 3 3 DG H8 H . . . . . . . 3.13 . . . . . B . 15 DG H1' . . B . 15 DG H8 . . . 15 DG H1' . . . . . 15 DG H8 . . c17885_2lia 1 201 1 . . 2 1 3 3 DG H2'' H . . . 2 1 3 3 DG H8 H . . . . . . . 2.25 . . . . . B . 15 DG H2'' . . B . 15 DG H8 . . . 15 DG H2'2 . . . . . 15 DG H8 . . c17885_2lia 1 202 1 . . 2 1 3 3 DG H2' H . . . 2 1 3 3 DG H8 H . . . . . . . 2.40 . . . . . B . 15 DG H2' . . B . 15 DG H8 . . . 15 DG H2'1 . . . . . 15 DG H8 . . c17885_2lia 1 203 1 . . 2 1 3 3 DG H3' H . . . 2 1 3 3 DG H8 H . . . . . . . 3.37 . . . . . B . 15 DG H3' . . B . 15 DG H8 . . . 15 DG H3' . . . . . 15 DG H8 . . c17885_2lia 1 204 1 . . 2 1 4 4 DA H1' H . . . 2 1 4 4 DA H2'' H . . . . . . . 1.73 . . . . . B . 16 DA H1' . . B . 16 DA H2'' . . . 16 DA H1' . . . . . 16 DA H2'2 . . c17885_2lia 1 205 1 . . 2 1 4 4 DA H1' H . . . 2 1 4 4 DA H2' H . . . . . . . 2.05 . . . . . B . 16 DA H1' . . B . 16 DA H2' . . . 16 DA H1' . . . . . 16 DA H2'1 . . c17885_2lia 1 206 1 . . 2 1 4 4 DA H1' H . . . 2 1 4 4 DA H3' H . . . . . . . 3.06 . . . . . B . 16 DA H1' . . B . 16 DA H3' . . . 16 DA H1' . . . . . 16 DA H3' . . c17885_2lia 1 207 1 . . 2 1 4 4 DA H2'' H . . . 2 1 4 4 DA H3' H . . . . . . . 2.26 . . . . . B . 16 DA H2'' . . B . 16 DA H3' . . . 16 DA H2'2 . . . . . 16 DA H3' . . c17885_2lia 1 208 1 . . 2 1 4 4 DA H2' H . . . 2 1 4 4 DA H3' H . . . . . . . 1.92 . . . . . B . 16 DA H2' . . B . 16 DA H3' . . . 16 DA H2'1 . . . . . 16 DA H3' . . c17885_2lia 1 209 1 . . 2 1 3 3 DG H1' H . . . 2 1 4 4 DA H8 H . . . . . . . 2.76 . . . . . B . 15 DG H1' . . B . 16 DA H8 . . . 15 DG H1' . . . . . 16 DA H8 . . c17885_2lia 1 210 1 . . 2 1 3 3 DG H2'' H . . . 2 1 4 4 DA H8 H . . . . . . . 2.32 . . . . . B . 15 DG H2'' . . B . 16 DA H8 . . . 15 DG H2'2 . . . . . 16 DA H8 . . c17885_2lia 1 211 1 . . 2 1 3 3 DG H2' H . . . 2 1 4 4 DA H8 H . . . . . . . 2.93 . . . . . B . 15 DG H2' . . B . 16 DA H8 . . . 15 DG H2'1 . . . . . 16 DA H8 . . c17885_2lia 1 212 1 . . 2 1 3 3 DG H8 H . . . 2 1 4 4 DA H8 H . . . . . . . 3.68 . . . . . B . 15 DG H8 . . B . 16 DA H8 . . . 15 DG H8 . . . . . 16 DA H8 . . c17885_2lia 1 213 1 . . 2 1 4 4 DA H1' H . . . 2 1 4 4 DA H8 H . . . . . . . 3.18 . . . . . B . 16 DA H1' . . B . 16 DA H8 . . . 16 DA H1' . . . . . 16 DA H8 . . c17885_2lia 1 214 1 . . 2 1 4 4 DA H2'' H . . . 2 1 4 4 DA H8 H . . . . . . . 2.56 . . . . . B . 16 DA H2'' . . B . 16 DA H8 . . . 16 DA H2'2 . . . . . 16 DA H8 . . c17885_2lia 1 215 1 . . 2 1 4 4 DA H2' H . . . 2 1 4 4 DA H8 H . . . . . . . 1.95 . . . . . B . 16 DA H2' . . B . 16 DA H8 . . . 16 DA H2'1 . . . . . 16 DA H8 . . c17885_2lia 1 216 1 . . 2 1 4 4 DA H3' H . . . 2 1 4 4 DA H8 H . . . . . . . 3.07 . . . . . B . 16 DA H3' . . B . 16 DA H8 . . . 16 DA H3' . . . . . 16 DA H8 . . c17885_2lia 1 217 1 . . 2 1 6 6 DC H2'' H . . . 2 1 6 6 DC H1' H . . . . . . . 1.95 . . . . . B . 18 DC H2'' . . B . 18 DC H1' . . . 18 DC H2'2 . . . . . 18 DC H1' . . c17885_2lia 1 218 1 . . 2 1 6 6 DC H1' H . . . 2 1 6 6 DC H2' H . . . . . . . 2.26 . . . . . B . 18 DC H1' . . B . 18 DC H2' . . . 18 DC H1' . . . . . 18 DC H2'1 . . c17885_2lia 1 219 1 . . 2 1 6 6 DC H1' H . . . 2 1 6 6 DC H3' H . . . . . . . 3.41 . . . . . B . 18 DC H1' . . B . 18 DC H3' . . . 18 DC H1' . . . . . 18 DC H3' . . c17885_2lia 1 220 1 . . 2 1 6 6 DC H2' H . . . 2 1 6 6 DC H3' H . . . . . . . 2.33 . . . . . B . 18 DC H2' . . B . 18 DC H3' . . . 18 DC H2'1 . . . . . 18 DC H3' . . c17885_2lia 1 221 1 . . 2 1 6 6 DC H1' H . . . 2 1 6 6 DC H6 H . . . . . . . 3.10 . . . . . B . 18 DC H1' . . B . 18 DC H6 . . . 18 DC H1' . . . . . 18 DC H6 . . c17885_2lia 1 222 1 . . 2 1 6 6 DC H2'' H . . . 2 1 6 6 DC H6 H . . . . . . . 2.73 . . . . . B . 18 DC H2'' . . B . 18 DC H6 . . . 18 DC H2'2 . . . . . 18 DC H6 . . c17885_2lia 1 223 1 . . 2 1 6 6 DC H2' H . . . 2 1 6 6 DC H6 H . . . . . . . 2.19 . . . . . B . 18 DC H2' . . B . 18 DC H6 . . . 18 DC H2'1 . . . . . 18 DC H6 . . c17885_2lia 1 224 1 . . 2 1 6 6 DC H3' H . . . 2 1 6 6 DC H6 H . . . . . . . 3.13 . . . . . B . 18 DC H3' . . B . 18 DC H6 . . . 18 DC H3' . . . . . 18 DC H6 . . c17885_2lia 1 225 1 . . 2 1 6 6 DC H1' H . . . 2 1 6 6 DC H5 H . . . . . . . 3.87 . . . . . B . 18 DC H1' . . B . 18 DC H5 . . . 18 DC H1' . . . . . 18 DC H5 . . c17885_2lia 1 226 1 . . 2 1 6 6 DC H2'' H . . . 2 1 6 6 DC H5 H . . . . . . . 4.53 . . . . . B . 18 DC H2'' . . B . 18 DC H5 . . . 18 DC H2'2 . . . . . 18 DC H5 . . c17885_2lia 1 227 1 . . 2 1 6 6 DC H2' H . . . 2 1 6 6 DC H5 H . . . . . . . 3.09 . . . . . B . 18 DC H2' . . B . 18 DC H5 . . . 18 DC H2'1 . . . . . 18 DC H5 . . c17885_2lia 1 228 1 . . 2 1 6 6 DC H3' H . . . 2 1 6 6 DC H5 H . . . . . . . 4.08 . . . . . B . 18 DC H3' . . B . 18 DC H5 . . . 18 DC H3' . . . . . 18 DC H5 . . c17885_2lia 1 229 1 . . 2 1 7 7 DG H2'' H . . . 2 1 7 7 DG H1' H . . . . . . . 1.86 . . . . . B . 19 DG H2'' . . B . 19 DG H1' . . . 19 DG H2'2 . . . . . 19 DG H1' . . c17885_2lia 1 230 1 . . 2 1 7 7 DG H1' H . . . 2 1 7 7 DG H2' H . . . . . . . 2.09 . . . . . B . 19 DG H1' . . B . 19 DG H2' . . . 19 DG H1' . . . . . 19 DG H2'1 . . c17885_2lia 1 231 1 . . 2 1 7 7 DG H1' H . . . 2 1 7 7 DG H3' H . . . . . . . 3.02 . . . . . B . 19 DG H1' . . B . 19 DG H3' . . . 19 DG H1' . . . . . 19 DG H3' . . c17885_2lia 1 232 1 . . 2 1 7 7 DG H2'' H . . . 2 1 7 7 DG H3' H . . . . . . . 2.17 . . . . . B . 19 DG H2'' . . B . 19 DG H3' . . . 19 DG H2'2 . . . . . 19 DG H3' . . c17885_2lia 1 233 1 . . 2 1 7 7 DG H2' H . . . 2 1 7 7 DG H3' H . . . . . . . 2.22 . . . . . B . 19 DG H2' . . B . 19 DG H3' . . . 19 DG H2'1 . . . . . 19 DG H3' . . c17885_2lia 1 234 1 . . 2 1 6 6 DC H2' H . . . 2 1 7 7 DG H8 H . . . . . . . 2.48 . . . . . B . 18 DC H2' . . B . 19 DG H8 . . . 18 DC H2'1 . . . . . 19 DG H8 . . c17885_2lia 1 235 1 . . 2 1 6 6 DC H6 H . . . 2 1 7 7 DG H8 H . . . . . . . 3.65 . . . . . B . 18 DC H6 . . B . 19 DG H8 . . . 18 DC H6 . . . . . 19 DG H8 . . c17885_2lia 1 236 1 . . 2 1 7 7 DG H1' H . . . 2 1 7 7 DG H8 H . . . . . . . 2.61 . . . . . B . 19 DG H1' . . B . 19 DG H8 . . . 19 DG H1' . . . . . 19 DG H8 . . c17885_2lia 1 237 1 . . 2 1 7 7 DG H2'' H . . . 2 1 7 7 DG H8 H . . . . . . . 2.16 . . . . . B . 19 DG H2'' . . B . 19 DG H8 . . . 19 DG H2'2 . . . . . 19 DG H8 . . c17885_2lia 1 238 1 . . 2 1 7 7 DG H2' H . . . 2 1 7 7 DG H8 H . . . . . . . 1.78 . . . . . B . 19 DG H2' . . B . 19 DG H8 . . . 19 DG H2'1 . . . . . 19 DG H8 . . c17885_2lia 1 239 1 . . 2 1 7 7 DG H3' H . . . 2 1 7 7 DG H8 H . . . . . . . 3.10 . . . . . B . 19 DG H3' . . B . 19 DG H8 . . . 19 DG H3' . . . . . 19 DG H8 . . c17885_2lia 1 240 1 . . 2 1 8 8 DC H2'' H . . . 2 1 8 8 DC H1' H . . . . . . . 1.62 . . . . . B . 20 DC H2'' . . B . 20 DC H1' . . . 20 DC H2'2 . . . . . 20 DC H1' . . c17885_2lia 1 241 1 . . 2 1 8 8 DC H1' H . . . 2 1 8 8 DC H2' H . . . . . . . 2.31 . . . . . B . 20 DC H1' . . B . 20 DC H2' . . . 20 DC H1' . . . . . 20 DC H2'1 . . c17885_2lia 1 242 1 . . 2 1 8 8 DC H1' H . . . 2 1 8 8 DC H3' H . . . . . . . 3.03 . . . . . B . 20 DC H1' . . B . 20 DC H3' . . . 20 DC H1' . . . . . 20 DC H3' . . c17885_2lia 1 243 1 . . 2 1 8 8 DC H2'' H . . . 2 1 8 8 DC H3' H . . . . . . . 2.48 . . . . . B . 20 DC H2'' . . B . 20 DC H3' . . . 20 DC H2'2 . . . . . 20 DC H3' . . c17885_2lia 1 244 1 . . 2 1 8 8 DC H2' H . . . 2 1 8 8 DC H3' H . . . . . . . 2.26 . . . . . B . 20 DC H2' . . B . 20 DC H3' . . . 20 DC H2'1 . . . . . 20 DC H3' . . c17885_2lia 1 245 1 . . 2 1 7 7 DG H2'' H . . . 2 1 8 8 DC H6 H . . . . . . . 2.21 . . . . . B . 19 DG H2'' . . B . 20 DC H6 . . . 19 DG H2'2 . . . . . 20 DC H6 . . c17885_2lia 1 246 1 . . 2 1 7 7 DG H2' H . . . 2 1 8 8 DC H6 H . . . . . . . 2.64 . . . . . B . 19 DG H2' . . B . 20 DC H6 . . . 19 DG H2'1 . . . . . 20 DC H6 . . c17885_2lia 1 247 1 . . 2 1 7 7 DG H3' H . . . 2 1 8 8 DC H6 H . . . . . . . 3.65 . . . . . B . 19 DG H3' . . B . 20 DC H6 . . . 19 DG H3' . . . . . 20 DC H6 . . c17885_2lia 1 248 1 . . 2 1 7 7 DG H8 H . . . 2 1 8 8 DC H6 H . . . . . . . 3.23 . . . . . B . 19 DG H8 . . B . 20 DC H6 . . . 19 DG H8 . . . . . 20 DC H6 . . c17885_2lia 1 249 1 . . 2 1 8 8 DC H1' H . . . 2 1 8 8 DC H6 H . . . . . . . 2.35 . . . . . B . 20 DC H1' . . B . 20 DC H6 . . . 20 DC H1' . . . . . 20 DC H6 . . c17885_2lia 1 250 1 . . 2 1 8 8 DC H2'' H . . . 2 1 8 8 DC H6 H . . . . . . . 2.73 . . . . . B . 20 DC H2'' . . B . 20 DC H6 . . . 20 DC H2'2 . . . . . 20 DC H6 . . c17885_2lia 1 251 1 . . 2 1 8 8 DC H2' H . . . 2 1 8 8 DC H6 H . . . . . . . 2.19 . . . . . B . 20 DC H2' . . B . 20 DC H6 . . . 20 DC H2'1 . . . . . 20 DC H6 . . c17885_2lia 1 252 1 . . 2 1 8 8 DC H3' H . . . 2 1 8 8 DC H6 H . . . . . . . 3.13 . . . . . B . 20 DC H3' . . B . 20 DC H6 . . . 20 DC H3' . . . . . 20 DC H6 . . c17885_2lia 1 253 1 . . 2 1 7 7 DG H1' H . . . 2 1 8 8 DC H5 H . . . . . . . 3.50 . . . . . B . 19 DG H1' . . B . 20 DC H5 . . . 19 DG H1' . . . . . 20 DC H5 . . c17885_2lia 1 254 1 . . 2 1 7 7 DG H2'' H . . . 2 1 8 8 DC H5 H . . . . . . . 2.66 . . . . . B . 19 DG H2'' . . B . 20 DC H5 . . . 19 DG H2'2 . . . . . 20 DC H5 . . c17885_2lia 1 255 1 . . 2 1 7 7 DG H2' H . . . 2 1 8 8 DC H5 H . . . . . . . 3.11 . . . . . B . 19 DG H2' . . B . 20 DC H5 . . . 19 DG H2'1 . . . . . 20 DC H5 . . c17885_2lia 1 256 1 . . 2 1 7 7 DG H3' H . . . 2 1 8 8 DC H5 H . . . . . . . 3.64 . . . . . B . 19 DG H3' . . B . 20 DC H5 . . . 19 DG H3' . . . . . 20 DC H5 . . c17885_2lia 1 257 1 . . 2 1 7 7 DG H8 H . . . 2 1 8 8 DC H5 H . . . . . . . 3.25 . . . . . B . 19 DG H8 . . B . 20 DC H5 . . . 19 DG H8 . . . . . 20 DC H5 . . c17885_2lia 1 258 1 . . 2 1 8 8 DC H2' H . . . 2 1 8 8 DC H5 H . . . . . . . 3.35 . . . . . B . 20 DC H2' . . B . 20 DC H5 . . . 20 DC H2'1 . . . . . 20 DC H5 . . c17885_2lia 1 259 1 . . 2 1 8 8 DC H3' H . . . 2 1 8 8 DC H5 H . . . . . . . 3.79 . . . . . B . 20 DC H3' . . B . 20 DC H5 . . . 20 DC H3' . . . . . 20 DC H5 . . c17885_2lia 1 260 1 . . 2 1 8 8 DC H1' H . . . 2 1 9 9 DT H2'' H . . . . . . . 2.49 . . . . . B . 20 DC H1' . . B . 21 DT H2'' . . . 20 DC H1' . . . . . 21 DT H2'2 . . c17885_2lia 1 261 1 . . 2 1 9 9 DT H2'' H . . . 2 1 9 9 DT H1' H . . . . . . . 1.90 . . . . . B . 21 DT H2'' . . B . 21 DT H1' . . . 21 DT H2'2 . . . . . 21 DT H1' . . c17885_2lia 1 262 1 . . 2 1 8 8 DC H2' H . . . 2 1 9 9 DT H3' H . . . . . . . 3.19 . . . . . B . 20 DC H2' . . B . 21 DT H3' . . . 20 DC H2'1 . . . . . 21 DT H3' . . c17885_2lia 1 263 1 . . 2 1 9 9 DT H1' H . . . 2 1 9 9 DT H3' H . . . . . . . 2.17 . . . . . B . 21 DT H1' . . B . 21 DT H3' . . . 21 DT H1' . . . . . 21 DT H3' . . c17885_2lia 1 264 1 . . 2 1 9 9 DT H2'' H . . . 2 1 9 9 DT H3' H . . . . . . . 2.06 . . . . . B . 21 DT H2'' . . B . 21 DT H3' . . . 21 DT H2'2 . . . . . 21 DT H3' . . c17885_2lia 1 265 1 . . 2 1 8 8 DC H1' H . . . 2 1 9 9 DT H6 H . . . . . . . 2.23 . . . . . B . 20 DC H1' . . B . 21 DT H6 . . . 20 DC H1' . . . . . 21 DT H6 . . c17885_2lia 1 266 1 . . 2 1 8 8 DC H2' H . . . 2 1 9 9 DT H6 H . . . . . . . 2.18 . . . . . B . 20 DC H2' . . B . 21 DT H6 . . . 20 DC H2'1 . . . . . 21 DT H6 . . c17885_2lia 1 267 1 . . 2 1 8 8 DC H3' H . . . 2 1 9 9 DT H6 H . . . . . . . 3.41 . . . . . B . 20 DC H3' . . B . 21 DT H6 . . . 20 DC H3' . . . . . 21 DT H6 . . c17885_2lia 1 268 1 . . 2 1 9 9 DT H1' H . . . 2 1 9 9 DT H6 H . . . . . . . 2.03 . . . . . B . 21 DT H1' . . B . 21 DT H6 . . . 21 DT H1' . . . . . 21 DT H6 . . c17885_2lia 1 269 1 . . 2 1 9 9 DT H2'' H . . . 2 1 9 9 DT H6 H . . . . . . . 1.65 . . . . . B . 21 DT H2'' . . B . 21 DT H6 . . . 21 DT H2'2 . . . . . 21 DT H6 . . c17885_2lia 1 270 1 . . 2 1 9 9 DT H3' H . . . 2 1 9 9 DT H6 H . . . . . . . 2.85 . . . . . B . 21 DT H3' . . B . 21 DT H6 . . . 21 DT H3' . . . . . 21 DT H6 . . c17885_2lia 1 271 1 . . 2 1 8 8 DC H1' H . . . 2 1 9 9 DT M7 H . . . . . . . 2.89 . . . . . B . 20 DC H1' . . B . 21 DT M7 . . . 20 DC H1' . . . . . 21 DT M7 . . c17885_2lia 1 272 1 . . 2 1 8 8 DC H2'' H . . . 2 1 9 9 DT M7 H . . . . . . . 3.14 . . . . . B . 20 DC H2'' . . B . 21 DT M7 . . . 20 DC H2'2 . . . . . 21 DT M7 . . c17885_2lia 1 273 1 . . 2 1 8 8 DC H2' H . . . 2 1 9 9 DT M7 H . . . . . . . 2.75 . . . . . B . 20 DC H2' . . B . 21 DT M7 . . . 20 DC H2'1 . . . . . 21 DT M7 . . c17885_2lia 1 274 1 . . 2 1 8 8 DC H3' H . . . 2 1 9 9 DT M7 H . . . . . . . 3.47 . . . . . B . 20 DC H3' . . B . 21 DT M7 . . . 20 DC H3' . . . . . 21 DT M7 . . c17885_2lia 1 275 1 . . 2 1 8 8 DC H6 H . . . 2 1 9 9 DT M7 H . . . . . . . 2.81 . . . . . B . 20 DC H6 . . B . 21 DT M7 . . . 20 DC H6 . . . . . 21 DT M7 . . c17885_2lia 1 276 1 . . 2 1 8 8 DC H5 H . . . 2 1 9 9 DT M7 H . . . . . . . 3.08 . . . . . B . 20 DC H5 . . B . 21 DT M7 . . . 20 DC H5 . . . . . 21 DT M7 . . c17885_2lia 1 277 1 . . 2 1 9 9 DT H1' H . . . 2 1 9 9 DT M7 H . . . . . . . 2.68 . . . . . B . 21 DT H1' . . B . 21 DT M7 . . . 21 DT H1' . . . . . 21 DT M7 . . c17885_2lia 1 278 1 . . 2 1 9 9 DT H2'' H . . . 2 1 9 9 DT M7 H . . . . . . . 2.36 . . . . . B . 21 DT H2'' . . B . 21 DT M7 . . . 21 DT H2'2 . . . . . 21 DT M7 . . c17885_2lia 1 279 1 . . 2 1 9 9 DT H3' H . . . 2 1 9 9 DT M7 H . . . . . . . 3.83 . . . . . B . 21 DT H3' . . B . 21 DT M7 . . . 21 DT H3' . . . . . 21 DT M7 . . c17885_2lia 1 280 1 . . 2 1 9 9 DT H6 H . . . 2 1 9 9 DT M7 H . . . . . . . 2.37 . . . . . B . 21 DT H6 . . B . 21 DT M7 . . . 21 DT H6 . . . . . 21 DT M7 . . c17885_2lia 1 281 1 . . 2 1 10 10 DC H1' H . . . 2 1 9 9 DT H2' H . . . . . . . 1.97 . . . . . B . 22 DC H1' . . B . 21 DT H2' . . . 22 DC H1' . . . . . 21 DT H2'1 . . c17885_2lia 1 282 1 . . 2 1 9 9 DT H1' H . . . 2 1 10 10 DC H2'' H . . . . . . . 1.72 . . . . . B . 21 DT H1' . . B . 22 DC H2'' . . . 21 DT H1' . . . . . 22 DC H2'2 . . c17885_2lia 1 283 1 . . 2 1 9 9 DT H3' H . . . 2 1 10 10 DC H2' H . . . . . . . 2.45 . . . . . B . 21 DT H3' . . B . 22 DC H2' . . . 21 DT H3' . . . . . 22 DC H2'1 . . c17885_2lia 1 284 1 . . 2 1 9 9 DT M7 H . . . 2 1 10 10 DC H2' H . . . . . . . 3.18 . . . . . B . 21 DT M7 . . B . 22 DC H2' . . . 21 DT M7 . . . . . 22 DC H2'1 . . c17885_2lia 1 285 1 . . 2 1 10 10 DC H1' H . . . 2 1 10 10 DC H2' H . . . . . . . 2.01 . . . . . B . 22 DC H1' . . B . 22 DC H2' . . . 22 DC H1' . . . . . 22 DC H2'1 . . c17885_2lia 1 286 1 . . 2 1 9 9 DT H2' H . . . 2 1 10 10 DC H3' H . . . . . . . 1.89 . . . . . B . 21 DT H2' . . B . 22 DC H3' . . . 21 DT H2'1 . . . . . 22 DC H3' . . c17885_2lia 1 287 1 . . 2 1 10 10 DC H1' H . . . 2 1 10 10 DC H3' H . . . . . . . 3.06 . . . . . B . 22 DC H1' . . B . 22 DC H3' . . . 22 DC H1' . . . . . 22 DC H3' . . c17885_2lia 1 288 1 . . 2 1 10 10 DC H2'' H . . . 2 1 10 10 DC H3' H . . . . . . . 2.05 . . . . . B . 22 DC H2'' . . B . 22 DC H3' . . . 22 DC H2'2 . . . . . 22 DC H3' . . c17885_2lia 1 289 1 . . 2 1 9 9 DT H1' H . . . 2 1 10 10 DC H6 H . . . . . . . 2.58 . . . . . B . 21 DT H1' . . B . 22 DC H6 . . . 21 DT H1' . . . . . 22 DC H6 . . c17885_2lia 1 290 1 . . 2 1 9 9 DT H2'' H . . . 2 1 10 10 DC H6 H . . . . . . . 2.20 . . . . . B . 21 DT H2'' . . B . 22 DC H6 . . . 21 DT H2'2 . . . . . 22 DC H6 . . c17885_2lia 1 291 1 . . 2 1 9 9 DT H2' H . . . 2 1 10 10 DC H6 H . . . . . . . 1.77 . . . . . B . 21 DT H2' . . B . 22 DC H6 . . . 21 DT H2'1 . . . . . 22 DC H6 . . c17885_2lia 1 292 1 . . 2 1 9 9 DT H3' H . . . 2 1 10 10 DC H6 H . . . . . . . 3.84 . . . . . B . 21 DT H3' . . B . 22 DC H6 . . . 21 DT H3' . . . . . 22 DC H6 . . c17885_2lia 1 293 1 . . 2 1 10 10 DC H1' H . . . 2 1 10 10 DC H6 H . . . . . . . 2.55 . . . . . B . 22 DC H1' . . B . 22 DC H6 . . . 22 DC H1' . . . . . 22 DC H6 . . c17885_2lia 1 294 1 . . 2 1 10 10 DC H2' H . . . 2 1 10 10 DC H6 H . . . . . . . 2.05 . . . . . B . 22 DC H2' . . B . 22 DC H6 . . . 22 DC H2'1 . . . . . 22 DC H6 . . c17885_2lia 1 295 1 . . 2 1 10 10 DC H3' H . . . 2 1 10 10 DC H6 H . . . . . . . 3.04 . . . . . B . 22 DC H3' . . B . 22 DC H6 . . . 22 DC H3' . . . . . 22 DC H6 . . c17885_2lia 1 296 1 . . 2 1 9 9 DT H1' H . . . 2 1 10 10 DC H5 H . . . . . . . 3.25 . . . . . B . 21 DT H1' . . B . 22 DC H5 . . . 21 DT H1' . . . . . 22 DC H5 . . c17885_2lia 1 297 1 . . 2 1 9 9 DT H2'' H . . . 2 1 10 10 DC H5 H . . . . . . . 2.60 . . . . . B . 21 DT H2'' . . B . 22 DC H5 . . . 21 DT H2'2 . . . . . 22 DC H5 . . c17885_2lia 1 298 1 . . 2 1 9 9 DT H3' H . . . 2 1 10 10 DC H5 H . . . . . . . 3.60 . . . . . B . 21 DT H3' . . B . 22 DC H5 . . . 21 DT H3' . . . . . 22 DC H5 . . c17885_2lia 1 299 1 . . 2 1 9 9 DT H6 H . . . 2 1 10 10 DC H5 H . . . . . . . 2.85 . . . . . B . 21 DT H6 . . B . 22 DC H5 . . . 21 DT H6 . . . . . 22 DC H5 . . c17885_2lia 1 300 1 . . 2 1 9 9 DT M7 H . . . 2 1 10 10 DC H5 H . . . . . . . 3.21 . . . . . B . 21 DT M7 . . B . 22 DC H5 . . . 21 DT M7 . . . . . 22 DC H5 . . c17885_2lia 1 301 1 . . 2 1 10 10 DC H1' H . . . 2 1 10 10 DC H5 H . . . . . . . 3.33 . . . . . B . 22 DC H1' . . B . 22 DC H5 . . . 22 DC H1' . . . . . 22 DC H5 . . c17885_2lia 1 302 1 . . 2 1 10 10 DC H2' H . . . 2 1 10 10 DC H5 H . . . . . . . 2.56 . . . . . B . 22 DC H2' . . B . 22 DC H5 . . . 22 DC H2'1 . . . . . 22 DC H5 . . c17885_2lia 1 303 1 . . 2 1 10 10 DC H3' H . . . 2 1 10 10 DC H5 H . . . . . . . 3.70 . . . . . B . 22 DC H3' . . B . 22 DC H5 . . . 22 DC H3' . . . . . 22 DC H5 . . c17885_2lia 1 304 1 . . 2 1 10 10 DC H2' H . . . 2 1 11 11 DT H1' H . . . . . . . 1.95 . . . . . B . 22 DC H2' . . B . 23 DT H1' . . . 22 DC H2'1 . . . . . 23 DT H1' . . c17885_2lia 1 305 1 . . 2 1 11 11 DT H1' H . . . 2 1 11 11 DT H2' H . . . . . . . 2.12 . . . . . B . 23 DT H1' . . B . 23 DT H2' . . . 23 DT H1' . . . . . 23 DT H2'1 . . c17885_2lia 1 306 1 . . 2 1 10 10 DC H1' H . . . 2 1 11 11 DT H3' H . . . . . . . 2.31 . . . . . B . 22 DC H1' . . B . 23 DT H3' . . . 22 DC H1' . . . . . 23 DT H3' . . c17885_2lia 1 307 1 . . 2 1 10 10 DC H2'' H . . . 2 1 11 11 DT H3' H . . . . . . . 1.85 . . . . . B . 22 DC H2'' . . B . 23 DT H3' . . . 22 DC H2'2 . . . . . 23 DT H3' . . c17885_2lia 1 308 1 . . 2 1 11 11 DT H1' H . . . 2 1 11 11 DT H3' H . . . . . . . 2.19 . . . . . B . 23 DT H1' . . B . 23 DT H3' . . . 23 DT H1' . . . . . 23 DT H3' . . c17885_2lia 1 309 1 . . 2 1 11 11 DT H2' H . . . 2 1 11 11 DT H3' H . . . . . . . 1.80 . . . . . B . 23 DT H2' . . B . 23 DT H3' . . . 23 DT H2'1 . . . . . 23 DT H3' . . c17885_2lia 1 310 1 . . 2 1 10 10 DC H1' H . . . 2 1 11 11 DT H6 H . . . . . . . 2.06 . . . . . B . 22 DC H1' . . B . 23 DT H6 . . . 22 DC H1' . . . . . 23 DT H6 . . c17885_2lia 1 311 1 . . 2 1 10 10 DC H2' H . . . 2 1 11 11 DT H6 H . . . . . . . 2.08 . . . . . B . 22 DC H2' . . B . 23 DT H6 . . . 22 DC H2'1 . . . . . 23 DT H6 . . c17885_2lia 1 312 1 . . 2 1 10 10 DC H3' H . . . 2 1 11 11 DT H6 H . . . . . . . 2.55 . . . . . B . 22 DC H3' . . B . 23 DT H6 . . . 22 DC H3' . . . . . 23 DT H6 . . c17885_2lia 1 313 1 . . 2 1 11 11 DT H1' H . . . 2 1 11 11 DT H6 H . . . . . . . 1.88 . . . . . B . 23 DT H1' . . B . 23 DT H6 . . . 23 DT H1' . . . . . 23 DT H6 . . c17885_2lia 1 314 1 . . 2 1 11 11 DT H2' H . . . 2 1 11 11 DT H6 H . . . . . . . 1.67 . . . . . B . 23 DT H2' . . B . 23 DT H6 . . . 23 DT H2'1 . . . . . 23 DT H6 . . c17885_2lia 1 315 1 . . 2 1 10 10 DC H1' H . . . 2 1 11 11 DT M7 H . . . . . . . 3.03 . . . . . B . 22 DC H1' . . B . 23 DT M7 . . . 22 DC H1' . . . . . 23 DT M7 . . c17885_2lia 1 316 1 . . 2 1 10 10 DC H2'' H . . . 2 1 11 11 DT M7 H . . . . . . . 3.01 . . . . . B . 22 DC H2'' . . B . 23 DT M7 . . . 22 DC H2'2 . . . . . 23 DT M7 . . c17885_2lia 1 317 1 . . 2 1 10 10 DC H3' H . . . 2 1 11 11 DT M7 H . . . . . . . 3.43 . . . . . B . 22 DC H3' . . B . 23 DT M7 . . . 22 DC H3' . . . . . 23 DT M7 . . c17885_2lia 1 318 1 . . 2 1 10 10 DC H6 H . . . 2 1 11 11 DT M7 H . . . . . . . 2.48 . . . . . B . 22 DC H6 . . B . 23 DT M7 . . . 22 DC H6 . . . . . 23 DT M7 . . c17885_2lia 1 319 1 . . 2 1 10 10 DC H5 H . . . 2 1 11 11 DT M7 H . . . . . . . 2.82 . . . . . B . 22 DC H5 . . B . 23 DT M7 . . . 22 DC H5 . . . . . 23 DT M7 . . c17885_2lia 1 320 1 . . 2 1 11 11 DT H1' H . . . 2 1 11 11 DT M7 H . . . . . . . 2.46 . . . . . B . 23 DT H1' . . B . 23 DT M7 . . . 23 DT H1' . . . . . 23 DT M7 . . c17885_2lia 1 321 1 . . 2 1 11 11 DT H2' H . . . 2 1 11 11 DT M7 H . . . . . . . 2.55 . . . . . B . 23 DT H2' . . B . 23 DT M7 . . . 23 DT H2'1 . . . . . 23 DT M7 . . c17885_2lia 1 322 1 . . 2 1 11 11 DT H3' H . . . 2 1 11 11 DT M7 H . . . . . . . 2.98 . . . . . B . 23 DT H3' . . B . 23 DT M7 . . . 23 DT H3' . . . . . 23 DT M7 . . c17885_2lia 1 323 1 . . 2 1 11 11 DT H6 H . . . 2 1 11 11 DT M7 H . . . . . . . 2.23 . . . . . B . 23 DT H6 . . B . 23 DT M7 . . . 23 DT H6 . . . . . 23 DT M7 . . c17885_2lia 1 324 1 . . 2 1 12 12 DC H1' H . . . 2 1 11 11 DT H2'' H . . . . . . . 1.72 . . . . . B . 24 DC H1' . . B . 23 DT H2'' . . . 24 DC3 H1' . . . . . 23 DT H2'2 . . c17885_2lia 1 325 1 . . 2 1 11 11 DT H2'' H . . . 2 1 12 12 DC H3' H . . . . . . . 2.02 . . . . . B . 23 DT H2'' . . B . 24 DC H3' . . . 23 DT H2'2 . . . . . 24 DC3 H3' . . c17885_2lia 1 326 1 . . 2 1 12 12 DC H1' H . . . 2 1 12 12 DC H3' H . . . . . . . 3.47 . . . . . B . 24 DC H1' . . B . 24 DC H3' . . . 24 DC3 H1' . . . . . 24 DC3 H3' . . c17885_2lia 1 327 1 . . 2 1 11 11 DT H1' H . . . 2 1 12 12 DC H6 H . . . . . . . 2.67 . . . . . B . 23 DT H1' . . B . 24 DC H6 . . . 23 DT H1' . . . . . 24 DC3 H6 . . c17885_2lia 1 328 1 . . 2 1 11 11 DT H2'' H . . . 2 1 12 12 DC H6 H . . . . . . . 1.85 . . . . . B . 23 DT H2'' . . B . 24 DC H6 . . . 23 DT H2'2 . . . . . 24 DC3 H6 . . c17885_2lia 1 329 1 . . 2 1 11 11 DT H2' H . . . 2 1 12 12 DC H6 H . . . . . . . 2.17 . . . . . B . 23 DT H2' . . B . 24 DC H6 . . . 23 DT H2'1 . . . . . 24 DC3 H6 . . c17885_2lia 1 330 1 . . 2 1 11 11 DT H3' H . . . 2 1 12 12 DC H6 H . . . . . . . 2.93 . . . . . B . 23 DT H3' . . B . 24 DC H6 . . . 23 DT H3' . . . . . 24 DC3 H6 . . c17885_2lia 1 331 1 . . 2 1 11 11 DT H6 H . . . 2 1 12 12 DC H6 H . . . . . . . 2.58 . . . . . B . 23 DT H6 . . B . 24 DC H6 . . . 23 DT H6 . . . . . 24 DC3 H6 . . c17885_2lia 1 332 1 . . 2 1 12 12 DC H1' H . . . 2 1 12 12 DC H6 H . . . . . . . 2.26 . . . . . B . 24 DC H1' . . B . 24 DC H6 . . . 24 DC3 H1' . . . . . 24 DC3 H6 . . c17885_2lia 1 333 1 . . 2 1 12 12 DC H3' H . . . 2 1 12 12 DC H6 H . . . . . . . 2.42 . . . . . B . 24 DC H3' . . B . 24 DC H6 . . . 24 DC3 H3' . . . . . 24 DC3 H6 . . c17885_2lia 1 334 1 . . 2 1 11 11 DT H2' H . . . 2 1 12 12 DC H5 H . . . . . . . 3.03 . . . . . B . 23 DT H2' . . B . 24 DC H5 . . . 23 DT H2'1 . . . . . 24 DC3 H5 . . c17885_2lia 1 335 1 . . 2 1 11 11 DT H3' H . . . 2 1 12 12 DC H5 H . . . . . . . 3.40 . . . . . B . 23 DT H3' . . B . 24 DC H5 . . . 23 DT H3' . . . . . 24 DC3 H5 . . c17885_2lia 1 336 1 . . 2 1 11 11 DT M7 H . . . 2 1 12 12 DC H5 H . . . . . . . 3.45 . . . . . B . 23 DT M7 . . B . 24 DC H5 . . . 23 DT M7 . . . . . 24 DC3 H5 . . c17885_2lia 1 337 1 . . 2 1 12 12 DC H1' H . . . 2 1 12 12 DC H5 H . . . . . . . 3.43 . . . . . B . 24 DC H1' . . B . 24 DC H5 . . . 24 DC3 H1' . . . . . 24 DC3 H5 . . c17885_2lia 1 338 1 . . 2 1 12 12 DC H3' H . . . 2 1 12 12 DC H5 H . . . . . . . 4.06 . . . . . B . 24 DC H3' . . B . 24 DC H5 . . . 24 DC3 H3' . . . . . 24 DC3 H5 . . c17885_2lia 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 2 48 1 "Not handling restraint 48, item 1, resonance(s) ' .5.H101' (nmrStar names) not linked" c17885_2lia 1 2 2 49 1 "Not handling restraint 49, item 1, resonance(s) ' .5.H101' (nmrStar names) not linked" c17885_2lia 1 3 2 50 1 "Not handling restraint 50, item 1, resonance(s) ' .5.H101' (nmrStar names) not linked" c17885_2lia 1 4 2 51 1 "Not handling restraint 51, item 1, resonance(s) ' .5.H101' (nmrStar names) not linked" c17885_2lia 1 5 2 52 1 "Not handling restraint 52, item 1, resonance(s) ' .5.H101' (nmrStar names) not linked" c17885_2lia 1 6 2 53 1 "Not handling restraint 53, item 1, resonance(s) ' .5.H102' (nmrStar names) not linked" c17885_2lia 1 7 2 54 1 "Not handling restraint 54, item 1, resonance(s) ' .5.H102' (nmrStar names) not linked" c17885_2lia 1 8 2 55 1 "Not handling restraint 55, item 1, resonance(s) ' .5.H102' (nmrStar names) not linked" c17885_2lia 1 9 2 56 1 "Not handling restraint 56, item 1, resonance(s) ' .5.H102' (nmrStar names) not linked" c17885_2lia 1 10 2 57 1 "Not handling restraint 57, item 1, resonance(s) ' .5.H102' (nmrStar names) not linked" c17885_2lia 1 11 2 58 1 "Not handling restraint 58, item 1, resonance(s) ' .5.H2'1' (nmrStar names),' .5.H1'' (nmrStar names) not linked" c17885_2lia 1 12 2 59 1 "Not handling restraint 59, item 1, resonance(s) ' .5.H3'' (nmrStar names) not linked" c17885_2lia 1 13 2 60 1 "Not handling restraint 60, item 1, resonance(s) ' .5.H1'' (nmrStar names),' .5.H3'' (nmrStar names) not linked" c17885_2lia 1 14 2 61 1 "Not handling restraint 61, item 1, resonance(s) ' .5.H3'' (nmrStar names),' .5.H2'2' (nmrStar names) not linked" c17885_2lia 1 15 2 62 1 "Not handling restraint 62, item 1, resonance(s) ' .5.H8' (nmrStar names) not linked" c17885_2lia 1 16 2 63 1 "Not handling restraint 63, item 1, resonance(s) ' .5.H8' (nmrStar names) not linked" c17885_2lia 1 17 2 64 1 "Not handling restraint 64, item 1, resonance(s) ' .5.H8' (nmrStar names) not linked" c17885_2lia 1 18 2 65 1 "Not handling restraint 65, item 1, resonance(s) ' .5.H8' (nmrStar names) not linked" c17885_2lia 1 19 2 66 1 "Not handling restraint 66, item 1, resonance(s) ' .5.H8' (nmrStar names) not linked" c17885_2lia 1 20 2 67 1 "Not handling restraint 67, item 1, resonance(s) ' .5.H101' (nmrStar names),' .5.H8' (nmrStar names) not linked" c17885_2lia 1 21 2 68 1 "Not handling restraint 68, item 1, resonance(s) ' .5.H102' (nmrStar names),' .5.H8' (nmrStar names) not linked" c17885_2lia 1 22 2 69 1 "Not handling restraint 69, item 1, resonance(s) ' .5.H1'' (nmrStar names),' .5.H8' (nmrStar names) not linked" c17885_2lia 1 23 2 70 1 "Not handling restraint 70, item 1, resonance(s) ' .5.H2'2' (nmrStar names),' .5.H8' (nmrStar names) not linked" c17885_2lia 1 24 2 71 1 "Not handling restraint 71, item 1, resonance(s) ' .5.H3'' (nmrStar names),' .5.H8' (nmrStar names) not linked" c17885_2lia 1 25 2 76 1 "Not handling restraint 76, item 1, resonance(s) ' .5.H1'' (nmrStar names) not linked" c17885_2lia 1 26 2 77 1 "Not handling restraint 77, item 1, resonance(s) ' .5.H2'2' (nmrStar names) not linked" c17885_2lia 1 27 2 78 1 "Not handling restraint 78, item 1, resonance(s) ' .5.H8' (nmrStar names) not linked" c17885_2lia 1 28 2 83 1 "Not handling restraint 83, item 1, resonance(s) ' .5.H101' (nmrStar names) not linked" c17885_2lia 1 29 2 84 1 "Not handling restraint 84, item 1, resonance(s) ' .5.H102' (nmrStar names) not linked" c17885_2lia 1 30 2 85 1 "Not handling restraint 85, item 1, resonance(s) ' .5.H1'' (nmrStar names) not linked" c17885_2lia 1 31 2 86 1 "Not handling restraint 86, item 1, resonance(s) ' .5.H2'1' (nmrStar names) not linked" c17885_2lia 1 32 2 87 1 "Not handling restraint 87, item 1, resonance(s) ' .5.H3'' (nmrStar names) not linked" c17885_2lia 1 33 2 88 1 "Not handling restraint 88, item 1, resonance(s) ' .5.H8' (nmrStar names) not linked" c17885_2lia 1 34 2 250 1 "Not handling restraint 250, item 1, resonance(s) ' .17.H101' (nmrStar names) not linked" c17885_2lia 1 35 2 251 1 "Not handling restraint 251, item 1, resonance(s) ' .17.H101' (nmrStar names) not linked" c17885_2lia 1 36 2 252 1 "Not handling restraint 252, item 1, resonance(s) ' .17.H101' (nmrStar names) not linked" c17885_2lia 1 37 2 253 1 "Not handling restraint 253, item 1, resonance(s) ' .17.H101' (nmrStar names) not linked" c17885_2lia 1 38 2 254 1 "Not handling restraint 254, item 1, resonance(s) ' .17.H101' (nmrStar names) not linked" c17885_2lia 1 39 2 255 1 "Not handling restraint 255, item 1, resonance(s) ' .17.H102' (nmrStar names) not linked" c17885_2lia 1 40 2 256 1 "Not handling restraint 256, item 1, resonance(s) ' .17.H102' (nmrStar names) not linked" c17885_2lia 1 41 2 257 1 "Not handling restraint 257, item 1, resonance(s) ' .17.H102' (nmrStar names) not linked" c17885_2lia 1 42 2 258 1 "Not handling restraint 258, item 1, resonance(s) ' .17.H102' (nmrStar names) not linked" c17885_2lia 1 43 2 259 1 "Not handling restraint 259, item 1, resonance(s) ' .17.H102' (nmrStar names) not linked" c17885_2lia 1 44 2 260 1 "Not handling restraint 260, item 1, resonance(s) ' .17.H2'1' (nmrStar names),' .17.H1'' (nmrStar names) not linked" c17885_2lia 1 45 2 261 1 "Not handling restraint 261, item 1, resonance(s) ' .17.H3'' (nmrStar names) not linked" c17885_2lia 1 46 2 262 1 "Not handling restraint 262, item 1, resonance(s) ' .17.H1'' (nmrStar names),' .17.H3'' (nmrStar names) not linked" c17885_2lia 1 47 2 263 1 "Not handling restraint 263, item 1, resonance(s) ' .17.H3'' (nmrStar names),' .17.H2'2' (nmrStar names) not linked" c17885_2lia 1 48 2 264 1 "Not handling restraint 264, item 1, resonance(s) ' .17.H8' (nmrStar names) not linked" c17885_2lia 1 49 2 265 1 "Not handling restraint 265, item 1, resonance(s) ' .17.H8' (nmrStar names) not linked" c17885_2lia 1 50 2 266 1 "Not handling restraint 266, item 1, resonance(s) ' .17.H8' (nmrStar names) not linked" c17885_2lia 1 51 2 267 1 "Not handling restraint 267, item 1, resonance(s) ' .17.H8' (nmrStar names) not linked" c17885_2lia 1 52 2 268 1 "Not handling restraint 268, item 1, resonance(s) ' .17.H8' (nmrStar names) not linked" c17885_2lia 1 53 2 269 1 "Not handling restraint 269, item 1, resonance(s) ' .17.H101' (nmrStar names),' .17.H8' (nmrStar names) not linked" c17885_2lia 1 54 2 270 1 "Not handling restraint 270, item 1, resonance(s) ' .17.H102' (nmrStar names),' .17.H8' (nmrStar names) not linked" c17885_2lia 1 55 2 271 1 "Not handling restraint 271, item 1, resonance(s) ' .17.H1'' (nmrStar names),' .17.H8' (nmrStar names) not linked" c17885_2lia 1 56 2 272 1 "Not handling restraint 272, item 1, resonance(s) ' .17.H2'2' (nmrStar names),' .17.H8' (nmrStar names) not linked" c17885_2lia 1 57 2 273 1 "Not handling restraint 273, item 1, resonance(s) ' .17.H3'' (nmrStar names),' .17.H8' (nmrStar names) not linked" c17885_2lia 1 58 2 278 1 "Not handling restraint 278, item 1, resonance(s) ' .17.H1'' (nmrStar names) not linked" c17885_2lia 1 59 2 279 1 "Not handling restraint 279, item 1, resonance(s) ' .17.H2'2' (nmrStar names) not linked" c17885_2lia 1 60 2 280 1 "Not handling restraint 280, item 1, resonance(s) ' .17.H8' (nmrStar names) not linked" c17885_2lia 1 61 2 285 1 "Not handling restraint 285, item 1, resonance(s) ' .17.H101' (nmrStar names) not linked" c17885_2lia 1 62 2 286 1 "Not handling restraint 286, item 1, resonance(s) ' .17.H102' (nmrStar names) not linked" c17885_2lia 1 63 2 287 1 "Not handling restraint 287, item 1, resonance(s) ' .17.H1'' (nmrStar names) not linked" c17885_2lia 1 64 2 288 1 "Not handling restraint 288, item 1, resonance(s) ' .17.H2'1' (nmrStar names) not linked" c17885_2lia 1 65 2 289 1 "Not handling restraint 289, item 1, resonance(s) ' .17.H3'' (nmrStar names) not linked" c17885_2lia 1 66 2 290 1 "Not handling restraint 290, item 1, resonance(s) ' .17.H8' (nmrStar names) not linked" c17885_2lia 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 c17885_2lia _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 26-AUG-11 2LIA *TITLE SOLUTION NMR STRUCTURE OF A DNA DODECAMER CONTAINING THE 7- *TITLE 2 AMINOMETHYL-7-DEAZA-2'-DEOXYGUANOSINE ADDUCT *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: DNA (5'-D(*GP*AP*GP*AP*(2LA)P*CP*GP*CP*TP*CP*TP*C)-3'); *COMPND 3 CHAIN: A, B; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES *KEYWDS DNA *EXPDTA SOLUTION NMR *NUMMDL 1 *AUTHOR M.W.SZULIK, M.GANGULY, R.WANG, B.GOLD, M.P.STONE *REVDAT 1 29-AUG-12 2LIA 0" save_