data_Remediated_restraints_file_for_PDB_entry_1x2s # This BMRB archive file contains, for PDB entry 1x2s: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process, minor modifications could # have occurred to the NMR restraints information, or data could have been lost # because of parsing or conversion errors. The PDB file remains the # authoritative reference for the atomic coordinates and the originally deposited # restraints files remain the primary reference for these data. # # This file is generated as part of the wwPDB at the BioMagResBank (BMRB) in # collaboration with the PDBe (formerly MSD) group at the European # Bioinformatics Institute (EBI) and the CMBI/IMM group at the Radboud # University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister, # G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for # 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389-396. ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID rr_1x2s _Entry.Title 'wwPDB remediated NMR restraints for PDB entry 1x2s' _Entry.Version_type original _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Contains the remediated restraint lists and coordinates for PDB entry 1x2s' _Entry.PDB_coordinate_file_version 3.20 loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1x2s 'Master copy' rr_1x2s stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_1x2s _Assembly.ID 1 _Assembly.Name 1x2s _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 7432.67164 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 '5 D GP AP CP TP GP TP AP CP AP GP TP C 3' 1 $5__D__GP_AP_CP_TP_GP_TP_AP_CP_AP_GP_TP_C__3_ A . no . . . . . . rr_1x2s 1 2 '5 D GP AP CP TP GP TP AP CP AP GP TP C 3' 1 $5__D__GP_AP_CP_TP_GP_TP_AP_CP_AP_GP_TP_C__3_ B . no . . . . . . rr_1x2s 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_5__D__GP_AP_CP_TP_GP_TP_AP_CP_AP_GP_TP_C__3_ _Entity.Sf_category entity _Entity.Sf_framecode 5__D__GP_AP_CP_TP_GP_TP_AP_CP_AP_GP_TP_C__3_ _Entity.Entry_ID rr_1x2s _Entity.ID 1 _Entity.Name 5__D__GP_AP_CP_TP_GP_TP_AP_CP_AP_GP_TP_C__3_ _Entity.Type polymer _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code GACTGTACAGTC _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality yes _Entity.Nstd_linkage no _Entity.Number_of_monomers 12 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Parent_entity_ID 1 _Entity.Formula_weight 3716.33582 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 . rr_1x2s 1 2 . DA . rr_1x2s 1 3 . DC . rr_1x2s 1 4 . DT . rr_1x2s 1 5 . DG . rr_1x2s 1 6 . DT . rr_1x2s 1 7 . DA . rr_1x2s 1 8 . DC . rr_1x2s 1 9 . DA . rr_1x2s 1 10 . DG . rr_1x2s 1 11 . DT . rr_1x2s 1 12 . DC . rr_1x2s 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 rr_1x2s 1 . DA 2 2 rr_1x2s 1 . DC 3 3 rr_1x2s 1 . DT 4 4 rr_1x2s 1 . DG 5 5 rr_1x2s 1 . DT 6 6 rr_1x2s 1 . DA 7 7 rr_1x2s 1 . DC 8 8 rr_1x2s 1 . DA 9 9 rr_1x2s 1 . DG 10 10 rr_1x2s 1 . DT 11 11 rr_1x2s 1 . DC 12 12 rr_1x2s 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 rr_1x2s _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 rr_1x2s _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 . . . rr_1x2s 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 . . . . rr_1x2s 1 stop_ loop_ _Atom_site.Assembly_ID _Atom_site.Model_ID _Atom_site.Model_site_ID _Atom_site.ID _Atom_site.Assembly_atom_ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Cartn_x_esd _Atom_site.Cartn_y_esd _Atom_site.Cartn_z_esd _Atom_site.Occupancy _Atom_site.Occupancy_esd _Atom_site.Uncertainty _Atom_site.Ordered_flag _Atom_site.Footnote_ID _Atom_site.PDBX_label_asym_ID _Atom_site.PDBX_label_seq_ID _Atom_site.PDBX_label_comp_ID _Atom_site.PDBX_label_atom_ID _Atom_site.PDBX_formal_charge _Atom_site.PDBX_label_entity_ID _Atom_site.PDB_record_ID _Atom_site.PDB_model_num _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Auth_entity_assembly_ID _Atom_site.Auth_asym_ID _Atom_site.Auth_chain_ID _Atom_site.Auth_seq_ID _Atom_site.Auth_comp_ID _Atom_site.Auth_atom_ID _Atom_site.Auth_alt_ID _Atom_site.Auth_atom_name _Atom_site.Details _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID . 1 . 1 . 1 1 1 DG C1' C -7.772 -9.303 -14.437 . . . 1.0 . . . . . . . . . . . . A . 1 DG C1' . . . . . . . . . rr_1x2s 1 . 1 . 2 . 1 1 1 DG C2 C -10.892 -6.908 -12.631 . . . 1.0 . . . . . . . . . . . . A . 1 DG C2 . . . . . . . . . rr_1x2s 1 . 1 . 3 . 1 1 1 DG C2' C -6.281 -9.332 -14.256 . . . 1.0 . . . . . . . . . . . . A . 1 DG C2' . . . . . . . . . rr_1x2s 1 . 1 . 4 . 1 1 1 DG C3' C -5.814 -9.711 -15.645 . . . 1.0 . . . . . . . . . . . . A . 1 DG C3' . . . . . . . . . rr_1x2s 1 . 1 . 5 . 1 1 1 DG C4 C -9.525 -8.643 -12.746 . . . 1.0 . . . . . . . . . . . . A . 1 DG C4 . . . . . . . . . rr_1x2s 1 . 1 . 6 . 1 1 1 DG C4' C -6.935 -10.577 -16.193 . . . 1.0 . . . . . . . . . . . . A . 1 DG C4' . . . . . . . . . rr_1x2s 1 . 1 . 7 . 1 1 1 DG C5 C -9.968 -9.220 -11.581 . . . 1.0 . . . . . . . . . . . . A . 1 DG C5 . . . . . . . . . rr_1x2s 1 . 1 . 8 . 1 1 1 DG C5' C -6.651 -12.050 -16.214 . . . 1.0 . . . . . . . . . . . . A . 1 DG C5' . . . . . . . . . rr_1x2s 1 . 1 . 9 . 1 1 1 DG C6 C -10.995 -8.575 -10.847 . . . 1.0 . . . . . . . . . . . . A . 1 DG C6 . . . . . . . . . rr_1x2s 1 . 1 . 10 . 1 1 1 DG C8 C -8.456 -10.513 -12.324 . . . 1.0 . . . . . . . . . . . . A . 1 DG C8 . . . . . . . . . rr_1x2s 1 . 1 . 11 . 1 1 1 DG H1 H -12.134 -6.869 -11.011 . . . 1.0 . . . . . . . . . . . . A . 1 DG H1 . . . . . . . . . rr_1x2s 1 . 1 . 12 . 1 1 1 DG H1' H -8.092 -8.384 -14.924 . . . 1.0 . . . . . . . . . . . . A . 1 DG H1' . . . . . . . . . rr_1x2s 1 . 1 . 13 . 1 1 1 DG H2' H -5.970 -10.063 -13.513 . . . 1.0 . . . . . . . . . . . . A . 1 DG H2' . . . . . . . . . rr_1x2s 1 . 1 . 14 . 1 1 1 DG H2'' H -5.910 -8.357 -13.966 . . . 1.0 . . . . . . . . . . . . A . 1 DG H2'' . . . . . . . . . rr_1x2s 1 . 1 . 15 . 1 1 1 DG H21 H -12.144 -5.301 -12.538 . . . 1.0 . . . . . . . . . . . . A . 1 DG H21 . . . . . . . . . rr_1x2s 1 . 1 . 16 . 1 1 1 DG H22 H -11.079 -5.345 -13.919 . . . 1.0 . . . . . . . . . . . . A . 1 DG H22 . . . . . . . . . rr_1x2s 1 . 1 . 17 . 1 1 1 DG H3' H -4.869 -10.245 -15.624 . . . 1.0 . . . . . . . . . . . . A . 1 DG H3' . . . . . . . . . rr_1x2s 1 . 1 . 18 . 1 1 1 DG H4' H -7.110 -10.257 -17.221 . . . 1.0 . . . . . . . . . . . . A . 1 DG H4' . . . . . . . . . rr_1x2s 1 . 1 . 19 . 1 1 1 DG H5' H -7.531 -12.575 -16.567 . . . 1.0 . . . . . . . . . . . . A . 1 DG H5' . . . . . . . . . rr_1x2s 1 . 1 . 20 . 1 1 1 DG H5'' H -5.837 -12.236 -16.903 . . . 1.0 . . . . . . . . . . . . A . 1 DG H5'' . . . . . . . . . rr_1x2s 1 . 1 . 21 . 1 1 1 DG H8 H -7.771 -11.337 -12.438 . . . 1.0 . . . . . . . . . . . . A . 1 DG H8 . . . . . . . . . rr_1x2s 1 . 1 . 22 . 1 1 1 DG HO5' H -6.025 -12.540 -14.683 . . . 1.0 . . . . . . . . . . . . A . 1 DG HO5' . . . . . . . . . rr_1x2s 1 . 1 . 23 . 1 1 1 DG N1 N -11.404 -7.400 -11.462 . . . 1.0 . . . . . . . . . . . . A . 1 DG N1 . . . . . . . . . rr_1x2s 1 . 1 . 24 . 1 1 1 DG N2 N -11.415 -5.757 -13.065 . . . 1.0 . . . . . . . . . . . . A . 1 DG N2 . . . . . . . . . rr_1x2s 1 . 1 . 25 . 1 1 1 DG N3 N -9.937 -7.501 -13.325 . . . 1.0 . . . . . . . . . . . . A . 1 DG N3 . . . . . . . . . rr_1x2s 1 . 1 . 26 . 1 1 1 DG N7 N -9.285 -10.398 -11.327 . . . 1.0 . . . . . . . . . . . . A . 1 DG N7 . . . . . . . . . rr_1x2s 1 . 1 . 27 . 1 1 1 DG N9 N -8.548 -9.482 -13.220 . . . 1.0 . . . . . . . . . . . . A . 1 DG N9 . . . . . . . . . rr_1x2s 1 . 1 . 28 . 1 1 1 DG O3' O -5.626 -8.569 -16.472 . . . 1.0 . . . . . . . . . . . . A . 1 DG O3' . . . . . . . . . rr_1x2s 1 . 1 . 29 . 1 1 1 DG O4' O -8.067 -10.348 -15.320 . . . 1.0 . . . . . . . . . . . . A . 1 DG O4' . . . . . . . . . rr_1x2s 1 . 1 . 30 . 1 1 1 DG O5' O -6.300 -12.518 -14.910 . . . 1.0 . . . . . . . . . . . . A . 1 DG O5' . . . . . . . . . rr_1x2s 1 . 1 . 31 . 1 1 1 DG O6 O -11.523 -8.928 -9.792 . . . 1.0 . . . . . . . . . . . . A . 1 DG O6 . . . . . . . . . rr_1x2s 1 . 1 . 32 . 1 1 2 DA C1' C -7.804 -4.414 -13.032 . . . 1.0 . . . . . . . . . . . . A . 2 DA C1' . . . . . . . . . rr_1x2s 1 . 1 . 33 . 1 1 2 DA C2 C -10.565 -4.109 -9.682 . . . 1.0 . . . . . . . . . . . . A . 2 DA C2 . . . . . . . . . rr_1x2s 1 . 1 . 34 . 1 1 2 DA C2' C -6.370 -3.974 -13.213 . . . 1.0 . . . . . . . . . . . . A . 2 DA C2' . . . . . . . . . rr_1x2s 1 . 1 . 35 . 1 1 2 DA C3' C -6.316 -3.683 -14.701 . . . 1.0 . . . . . . . . . . . . A . 2 DA C3' . . . . . . . . . rr_1x2s 1 . 1 . 36 . 1 1 2 DA C4 C -8.971 -5.037 -10.879 . . . 1.0 . . . . . . . . . . . . A . 2 DA C4 . . . . . . . . . rr_1x2s 1 . 1 . 37 . 1 1 2 DA C4' C -7.332 -4.647 -15.307 . . . 1.0 . . . . . . . . . . . . A . 2 DA C4' . . . . . . . . . rr_1x2s 1 . 1 . 38 . 1 1 2 DA C5 C -8.855 -6.100 -10.005 . . . 1.0 . . . . . . . . . . . . A . 2 DA C5 . . . . . . . . . rr_1x2s 1 . 1 . 39 . 1 1 2 DA C5' C -6.750 -5.840 -16.023 . . . 1.0 . . . . . . . . . . . . A . 2 DA C5' . . . . . . . . . rr_1x2s 1 . 1 . 40 . 1 1 2 DA C6 C -9.707 -6.103 -8.889 . . . 1.0 . . . . . . . . . . . . A . 2 DA C6 . . . . . . . . . rr_1x2s 1 . 1 . 41 . 1 1 2 DA C8 C -7.428 -6.445 -11.540 . . . 1.0 . . . . . . . . . . . . A . 2 DA C8 . . . . . . . . . rr_1x2s 1 . 1 . 42 . 1 1 2 DA H1' H -8.479 -3.558 -12.983 . . . 1.0 . . . . . . . . . . . . A . 2 DA H1' . . . . . . . . . rr_1x2s 1 . 1 . 43 . 1 1 2 DA H2 H -11.277 -3.301 -9.518 . . . 1.0 . . . . . . . . . . . . A . 2 DA H2 . . . . . . . . . rr_1x2s 1 . 1 . 44 . 1 1 2 DA H2' H -5.661 -4.754 -12.935 . . . 1.0 . . . . . . . . . . . . A . 2 DA H2' . . . . . . . . . rr_1x2s 1 . 1 . 45 . 1 1 2 DA H2'' H -6.167 -3.082 -12.625 . . . 1.0 . . . . . . . . . . . . A . 2 DA H2'' . . . . . . . . . rr_1x2s 1 . 1 . 46 . 1 1 2 DA H3' H -5.319 -3.834 -15.116 . . . 1.0 . . . . . . . . . . . . A . 2 DA H3' . . . . . . . . . rr_1x2s 1 . 1 . 47 . 1 1 2 DA H4' H -7.906 -4.075 -16.037 . . . 1.0 . . . . . . . . . . . . A . 2 DA H4' . . . . . . . . . rr_1x2s 1 . 1 . 48 . 1 1 2 DA H5' H -7.505 -6.623 -16.089 . . . 1.0 . . . . . . . . . . . . A . 2 DA H5' . . . . . . . . . rr_1x2s 1 . 1 . 49 . 1 1 2 DA H5'' H -6.465 -5.543 -17.030 . . . 1.0 . . . . . . . . . . . . A . 2 DA H5'' . . . . . . . . . rr_1x2s 1 . 1 . 50 . 1 1 2 DA H61 H -10.350 -7.010 -7.186 . . . 1.0 . . . . . . . . . . . . A . 2 DA H61 . . . . . . . . . rr_1x2s 1 . 1 . 51 . 1 1 2 DA H62 H -9.078 -7.845 -8.047 . . . 1.0 . . . . . . . . . . . . A . 2 DA H62 . . . . . . . . . rr_1x2s 1 . 1 . 52 . 1 1 2 DA H8 H -6.643 -6.886 -12.136 . . . 1.0 . . . . . . . . . . . . A . 2 DA H8 . . . . . . . . . rr_1x2s 1 . 1 . 53 . 1 1 2 DA N1 N -10.567 -5.071 -8.753 . . . 1.0 . . . . . . . . . . . . A . 2 DA N1 . . . . . . . . . rr_1x2s 1 . 1 . 54 . 1 1 2 DA N3 N -9.816 -3.997 -10.774 . . . 1.0 . . . . . . . . . . . . A . 2 DA N3 . . . . . . . . . rr_1x2s 1 . 1 . 55 . 1 1 2 DA N6 N -9.711 -7.064 -7.965 . . . 1.0 . . . . . . . . . . . . A . 2 DA N6 . . . . . . . . . rr_1x2s 1 . 1 . 56 . 1 1 2 DA N7 N -7.875 -6.984 -10.435 . . . 1.0 . . . . . . . . . . . . A . 2 DA N7 . . . . . . . . . rr_1x2s 1 . 1 . 57 . 1 1 2 DA N9 N -8.049 -5.266 -11.871 . . . 1.0 . . . . . . . . . . . . A . 2 DA N9 . . . . . . . . . rr_1x2s 1 . 1 . 58 . 1 1 2 DA O3' O -6.682 -2.334 -14.987 . . . 1.0 . . . . . . . . . . . . A . 2 DA O3' . . . . . . . . . rr_1x2s 1 . 1 . 59 . 1 1 2 DA O4' O -8.134 -5.131 -14.195 . . . 1.0 . . . . . . . . . . . . A . 2 DA O4' . . . . . . . . . rr_1x2s 1 . 1 . 60 . 1 1 2 DA O5' O -5.612 -6.329 -15.323 . . . 1.0 . . . . . . . . . . . . A . 2 DA O5' . . . . . . . . . rr_1x2s 1 . 1 . 61 . 1 1 2 DA OP1 O -4.049 -6.773 -17.211 . . . 1.0 . . . . . . . . . . . . A . 2 DA OP1 . . . . . . . . . rr_1x2s 1 . 1 . 62 . 1 1 2 DA OP2 O -3.745 -7.934 -14.945 . . . 1.0 . . . . . . . . . . . . A . 2 DA OP2 . . . . . . . . . rr_1x2s 1 . 1 . 63 . 1 1 2 DA P P -4.638 -7.391 -15.999 . . . 1.0 . . . . . . . . . . . . A . 2 DA P . . . . . . . . . rr_1x2s 1 . 1 . 64 . 1 1 3 DC C1' C -8.397 -0.198 -10.007 . . . 1.0 . . . . . . . . . . . . A . 3 DC C1' . . . . . . . . . rr_1x2s 1 . 1 . 65 . 1 1 3 DC C2 C -8.610 -1.851 -8.182 . . . 1.0 . . . . . . . . . . . . A . 3 DC C2 . . . . . . . . . rr_1x2s 1 . 1 . 66 . 1 1 3 DC C2' C -7.273 0.762 -10.327 . . . 1.0 . . . . . . . . . . . . A . 3 DC C2' . . . . . . . . . rr_1x2s 1 . 1 . 67 . 1 1 3 DC C3' C -7.822 1.525 -11.518 . . . 1.0 . . . . . . . . . . . . A . 3 DC C3' . . . . . . . . . rr_1x2s 1 . 1 . 68 . 1 1 3 DC C4 C -7.264 -3.748 -8.125 . . . 1.0 . . . . . . . . . . . . A . 3 DC C4 . . . . . . . . . rr_1x2s 1 . 1 . 69 . 1 1 3 DC C4' C -8.727 0.517 -12.217 . . . 1.0 . . . . . . . . . . . . A . 3 DC C4' . . . . . . . . . rr_1x2s 1 . 1 . 70 . 1 1 3 DC C5 C -6.600 -3.365 -9.324 . . . 1.0 . . . . . . . . . . . . A . 3 DC C5 . . . . . . . . . rr_1x2s 1 . 1 . 71 . 1 1 3 DC C5' C -8.136 -0.150 -13.434 . . . 1.0 . . . . . . . . . . . . A . 3 DC C5' . . . . . . . . . rr_1x2s 1 . 1 . 72 . 1 1 3 DC C6 C -6.984 -2.220 -9.903 . . . 1.0 . . . . . . . . . . . . A . 3 DC C6 . . . . . . . . . rr_1x2s 1 . 1 . 73 . 1 1 3 DC H1' H -9.152 0.274 -9.378 . . . 1.0 . . . . . . . . . . . . A . 3 DC H1' . . . . . . . . . rr_1x2s 1 . 1 . 74 . 1 1 3 DC H2' H -6.348 0.245 -10.578 . . . 1.0 . . . . . . . . . . . . A . 3 DC H2' . . . . . . . . . rr_1x2s 1 . 1 . 75 . 1 1 3 DC H2'' H -7.092 1.423 -9.480 . . . 1.0 . . . . . . . . . . . . A . 3 DC H2'' . . . . . . . . . rr_1x2s 1 . 1 . 76 . 1 1 3 DC H3' H -7.032 1.881 -12.180 . . . 1.0 . . . . . . . . . . . . A . 3 DC H3' . . . . . . . . . rr_1x2s 1 . 1 . 77 . 1 1 3 DC H4' H -9.609 1.066 -12.544 . . . 1.0 . . . . . . . . . . . . A . 3 DC H4' . . . . . . . . . rr_1x2s 1 . 1 . 78 . 1 1 3 DC H41 H -7.395 -5.148 -6.653 . . . 1.0 . . . . . . . . . . . . A . 3 DC H41 . . . . . . . . . rr_1x2s 1 . 1 . 79 . 1 1 3 DC H42 H -6.196 -5.465 -7.884 . . . 1.0 . . . . . . . . . . . . A . 3 DC H42 . . . . . . . . . rr_1x2s 1 . 1 . 80 . 1 1 3 DC H5 H -5.808 -3.978 -9.751 . . . 1.0 . . . . . . . . . . . . A . 3 DC H5 . . . . . . . . . rr_1x2s 1 . 1 . 81 . 1 1 3 DC H5' H -8.769 -0.984 -13.729 . . . 1.0 . . . . . . . . . . . . A . 3 DC H5' . . . . . . . . . rr_1x2s 1 . 1 . 82 . 1 1 3 DC H5'' H -8.101 0.571 -14.246 . . . 1.0 . . . . . . . . . . . . A . 3 DC H5'' . . . . . . . . . rr_1x2s 1 . 1 . 83 . 1 1 3 DC H6 H -6.492 -1.895 -10.818 . . . 1.0 . . . . . . . . . . . . A . 3 DC H6 . . . . . . . . . rr_1x2s 1 . 1 . 84 . 1 1 3 DC N1 N -7.976 -1.453 -9.362 . . . 1.0 . . . . . . . . . . . . A . 3 DC N1 . . . . . . . . . rr_1x2s 1 . 1 . 85 . 1 1 3 DC N3 N -8.232 -3.005 -7.586 . . . 1.0 . . . . . . . . . . . . A . 3 DC N3 . . . . . . . . . rr_1x2s 1 . 1 . 86 . 1 1 3 DC N4 N -6.924 -4.879 -7.503 . . . 1.0 . . . . . . . . . . . . A . 3 DC N4 . . . . . . . . . rr_1x2s 1 . 1 . 87 . 1 1 3 DC O2 O -9.504 -1.134 -7.711 . . . 1.0 . . . . . . . . . . . . A . 3 DC O2 . . . . . . . . . rr_1x2s 1 . 1 . 88 . 1 1 3 DC O3' O -8.575 2.671 -11.123 . . . 1.0 . . . . . . . . . . . . A . 3 DC O3' . . . . . . . . . rr_1x2s 1 . 1 . 89 . 1 1 3 DC O4' O -9.019 -0.513 -11.233 . . . 1.0 . . . . . . . . . . . . A . 3 DC O4' . . . . . . . . . rr_1x2s 1 . 1 . 90 . 1 1 3 DC O5' O -6.823 -0.623 -13.150 . . . 1.0 . . . . . . . . . . . . A . 3 DC O5' . . . . . . . . . rr_1x2s 1 . 1 . 91 . 1 1 3 DC OP1 O -5.759 -0.034 -15.321 . . . 1.0 . . . . . . . . . . . . A . 3 DC OP1 . . . . . . . . . rr_1x2s 1 . 1 . 92 . 1 1 3 DC OP2 O -4.634 -1.674 -13.704 . . . 1.0 . . . . . . . . . . . . A . 3 DC OP2 . . . . . . . . . rr_1x2s 1 . 1 . 93 . 1 1 3 DC P P -5.867 -1.121 -14.318 . . . 1.0 . . . . . . . . . . . . A . 3 DC P . . . . . . . . . rr_1x2s 1 . 1 . 94 . 1 1 4 DT C1' C -8.988 1.926 -5.410 . . . 1.0 . . . . . . . . . . . . A . 4 DT C1' . . . . . . . . . rr_1x2s 1 . 1 . 95 . 1 1 4 DT C2 C -8.239 -0.155 -4.359 . . . 1.0 . . . . . . . . . . . . A . 4 DT C2 . . . . . . . . . rr_1x2s 1 . 1 . 96 . 1 1 4 DT C2' C -8.270 3.256 -5.494 . . . 1.0 . . . . . . . . . . . . A . 4 DT C2' . . . . . . . . . rr_1x2s 1 . 1 . 97 . 1 1 4 DT C3' C -9.321 4.149 -6.129 . . . 1.0 . . . . . . . . . . . . A . 4 DT C3' . . . . . . . . . rr_1x2s 1 . 1 . 98 . 1 1 4 DT C4 C -6.441 -1.485 -5.388 . . . 1.0 . . . . . . . . . . . . A . 4 DT C4 . . . . . . . . . rr_1x2s 1 . 1 . 99 . 1 1 4 DT C4' C -10.142 3.200 -6.999 . . . 1.0 . . . . . . . . . . . . A . 4 DT C4' . . . . . . . . . rr_1x2s 1 . 1 . 100 . 1 1 4 DT C5 C -6.351 -0.502 -6.440 . . . 1.0 . . . . . . . . . . . . A . 4 DT C5 . . . . . . . . . rr_1x2s 1 . 1 . 101 . 1 1 4 DT C5' C -9.865 3.278 -8.481 . . . 1.0 . . . . . . . . . . . . A . 4 DT C5' . . . . . . . . . rr_1x2s 1 . 1 . 102 . 1 1 4 DT C6 C -7.178 0.553 -6.396 . . . 1.0 . . . . . . . . . . . . A . 4 DT C6 . . . . . . . . . rr_1x2s 1 . 1 . 103 . 1 1 4 DT C7 C -5.338 -0.693 -7.523 . . . 1.0 . . . . . . . . . . . . A . 4 DT C7 . . . . . . . . . rr_1x2s 1 . 1 . 104 . 1 1 4 DT H1' H -9.639 1.883 -4.535 . . . 1.0 . . . . . . . . . . . . A . 4 DT H1' . . . . . . . . . rr_1x2s 1 . 1 . 105 . 1 1 4 DT H2' H -7.372 3.201 -6.108 . . . 1.0 . . . . . . . . . . . . A . 4 DT H2' . . . . . . . . . rr_1x2s 1 . 1 . 106 . 1 1 4 DT H2'' H -8.000 3.606 -4.498 . . . 1.0 . . . . . . . . . . . . A . 4 DT H2'' . . . . . . . . . rr_1x2s 1 . 1 . 107 . 1 1 4 DT H3 H -7.466 -1.902 -3.676 . . . 1.0 . . . . . . . . . . . . A . 4 DT H3 . . . . . . . . . rr_1x2s 1 . 1 . 108 . 1 1 4 DT H3' H -8.878 4.954 -6.718 . . . 1.0 . . . . . . . . . . . . A . 4 DT H3' . . . . . . . . . rr_1x2s 1 . 1 . 109 . 1 1 4 DT H4' H -11.188 3.468 -6.849 . . . 1.0 . . . . . . . . . . . . A . 4 DT H4' . . . . . . . . . rr_1x2s 1 . 1 . 110 . 1 1 4 DT H5' H -10.243 2.377 -8.963 . . . 1.0 . . . . . . . . . . . . A . 4 DT H5' . . . . . . . . . rr_1x2s 1 . 1 . 111 . 1 1 4 DT H5'' H -10.383 4.142 -8.892 . . . 1.0 . . . . . . . . . . . . A . 4 DT H5'' . . . . . . . . . rr_1x2s 1 . 1 . 112 . 1 1 4 DT H6 H -7.113 1.296 -7.190 . . . 1.0 . . . . . . . . . . . . A . 4 DT H6 . . . . . . . . . rr_1x2s 1 . 1 . 113 . 1 1 4 DT H71 H -4.956 -0.530 -7.672 . . . 1.0 . . . . . . . . . . . . A . 4 DT H71 . . . . . . . . . rr_1x2s 1 . 1 . 114 . 1 1 4 DT H72 H -5.037 -0.996 -7.708 . . . 1.0 . . . . . . . . . . . . A . 4 DT H72 . . . . . . . . . rr_1x2s 1 . 1 . 115 . 1 1 4 DT H73 H -5.280 -0.692 -7.979 . . . 1.0 . . . . . . . . . . . . A . 4 DT H73 . . . . . . . . . rr_1x2s 1 . 1 . 116 . 1 1 4 DT N1 N -8.106 0.743 -5.394 . . . 1.0 . . . . . . . . . . . . A . 4 DT N1 . . . . . . . . . rr_1x2s 1 . 1 . 117 . 1 1 4 DT N3 N -7.389 -1.227 -4.421 . . . 1.0 . . . . . . . . . . . . A . 4 DT N3 . . . . . . . . . rr_1x2s 1 . 1 . 118 . 1 1 4 DT O2 O -9.046 -0.015 -3.455 . . . 1.0 . . . . . . . . . . . . A . 4 DT O2 . . . . . . . . . rr_1x2s 1 . 1 . 119 . 1 1 4 DT O3' O -10.146 4.768 -5.143 . . . 1.0 . . . . . . . . . . . . A . 4 DT O3' . . . . . . . . . rr_1x2s 1 . 1 . 120 . 1 1 4 DT O4 O -5.753 -2.500 -5.313 . . . 1.0 . . . . . . . . . . . . A . 4 DT O4 . . . . . . . . . rr_1x2s 1 . 1 . 121 . 1 1 4 DT O4' O -9.818 1.856 -6.546 . . . 1.0 . . . . . . . . . . . . A . 4 DT O4' . . . . . . . . . rr_1x2s 1 . 1 . 122 . 1 1 4 DT O5' O -8.466 3.397 -8.716 . . . 1.0 . . . . . . . . . . . . A . 4 DT O5' . . . . . . . . . rr_1x2s 1 . 1 . 123 . 1 1 4 DT OP1 O -8.467 5.101 -10.535 . . . 1.0 . . . . . . . . . . . . A . 4 DT OP1 . . . . . . . . . rr_1x2s 1 . 1 . 124 . 1 1 4 DT OP2 O -6.442 3.570 -10.162 . . . 1.0 . . . . . . . . . . . . A . 4 DT OP2 . . . . . . . . . rr_1x2s 1 . 1 . 125 . 1 1 4 DT P P -7.913 3.776 -10.160 . . . 1.0 . . . . . . . . . . . . A . 4 DT P . . . . . . . . . rr_1x2s 1 . 1 . 126 . 1 1 5 DG C1' C -8.272 2.153 -0.262 . . . 1.0 . . . . . . . . . . . . A . 5 DG C1' . . . . . . . . . rr_1x2s 1 . 1 . 127 . 1 1 5 DG C2 C -6.470 -1.599 0.930 . . . 1.0 . . . . . . . . . . . . A . 5 DG C2 . . . . . . . . . rr_1x2s 1 . 1 . 128 . 1 1 5 DG C2' C -7.916 3.605 -0.060 . . . 1.0 . . . . . . . . . . . . A . 5 DG C2' . . . . . . . . . rr_1x2s 1 . 1 . 129 . 1 1 5 DG C3' C -9.280 4.270 -0.039 . . . 1.0 . . . . . . . . . . . . A . 5 DG C3' . . . . . . . . . rr_1x2s 1 . 1 . 130 . 1 1 5 DG C4 C -6.737 0.151 -0.396 . . . 1.0 . . . . . . . . . . . . A . 5 DG C4 . . . . . . . . . rr_1x2s 1 . 1 . 131 . 1 1 5 DG C4' C -10.138 3.389 -0.944 . . . 1.0 . . . . . . . . . . . . A . 5 DG C4' . . . . . . . . . rr_1x2s 1 . 1 . 132 . 1 1 5 DG C5 C -5.779 -0.241 -1.307 . . . 1.0 . . . . . . . . . . . . A . 5 DG C5 . . . . . . . . . rr_1x2s 1 . 1 . 133 . 1 1 5 DG C5' C -10.420 3.947 -2.319 . . . 1.0 . . . . . . . . . . . . A . 5 DG C5' . . . . . . . . . rr_1x2s 1 . 1 . 134 . 1 1 5 DG C6 C -5.080 -1.452 -1.084 . . . 1.0 . . . . . . . . . . . . A . 5 DG C6 . . . . . . . . . rr_1x2s 1 . 1 . 135 . 1 1 5 DG C8 C -6.546 1.600 -2.037 . . . 1.0 . . . . . . . . . . . . A . 5 DG C8 . . . . . . . . . rr_1x2s 1 . 1 . 136 . 1 1 5 DG H1 H -5.057 -2.950 0.329 . . . 1.0 . . . . . . . . . . . . A . 5 DG H1 . . . . . . . . . rr_1x2s 1 . 1 . 137 . 1 1 5 DG H1' H -8.564 1.687 0.677 . . . 1.0 . . . . . . . . . . . . A . 5 DG H1' . . . . . . . . . rr_1x2s 1 . 1 . 138 . 1 1 5 DG H2' H -7.299 3.992 -0.866 . . . 1.0 . . . . . . . . . . . . A . 5 DG H2' . . . . . . . . . rr_1x2s 1 . 1 . 139 . 1 1 5 DG H2'' H -7.392 3.738 0.885 . . . 1.0 . . . . . . . . . . . . A . 5 DG H2'' . . . . . . . . . rr_1x2s 1 . 1 . 140 . 1 1 5 DG H21 H -6.233 -3.206 2.166 . . . 1.0 . . . . . . . . . . . . A . 5 DG H21 . . . . . . . . . rr_1x2s 1 . 1 . 141 . 1 1 5 DG H22 H -7.438 -2.046 2.670 . . . 1.0 . . . . . . . . . . . . A . 5 DG H22 . . . . . . . . . rr_1x2s 1 . 1 . 142 . 1 1 5 DG H3' H -9.244 5.301 -0.397 . . . 1.0 . . . . . . . . . . . . A . 5 DG H3' . . . . . . . . . rr_1x2s 1 . 1 . 143 . 1 1 5 DG H4' H -11.097 3.267 -0.440 . . . 1.0 . . . . . . . . . . . . A . 5 DG H4' . . . . . . . . . rr_1x2s 1 . 1 . 144 . 1 1 5 DG H5' H -10.568 3.123 -3.016 . . . 1.0 . . . . . . . . . . . . A . 5 DG H5' . . . . . . . . . rr_1x2s 1 . 1 . 145 . 1 1 5 DG H5'' H -11.329 4.542 -2.278 . . . 1.0 . . . . . . . . . . . . A . 5 DG H5'' . . . . . . . . . rr_1x2s 1 . 1 . 146 . 1 1 5 DG H8 H -6.711 2.480 -2.638 . . . 1.0 . . . . . . . . . . . . A . 5 DG H8 . . . . . . . . . rr_1x2s 1 . 1 . 147 . 1 1 5 DG N1 N -5.500 -2.077 0.085 . . . 1.0 . . . . . . . . . . . . A . 5 DG N1 . . . . . . . . . rr_1x2s 1 . 1 . 148 . 1 1 5 DG N2 N -6.736 -2.345 2.011 . . . 1.0 . . . . . . . . . . . . A . 5 DG N2 . . . . . . . . . rr_1x2s 1 . 1 . 149 . 1 1 5 DG N3 N -7.130 -0.473 0.733 . . . 1.0 . . . . . . . . . . . . A . 5 DG N3 . . . . . . . . . rr_1x2s 1 . 1 . 150 . 1 1 5 DG N7 N -5.671 0.682 -2.337 . . . 1.0 . . . . . . . . . . . . A . 5 DG N7 . . . . . . . . . rr_1x2s 1 . 1 . 151 . 1 1 5 DG N9 N -7.230 1.339 -0.875 . . . 1.0 . . . . . . . . . . . . A . 5 DG N9 . . . . . . . . . rr_1x2s 1 . 1 . 152 . 1 1 5 DG O3' O -9.832 4.310 1.277 . . . 1.0 . . . . . . . . . . . . A . 5 DG O3' . . . . . . . . . rr_1x2s 1 . 1 . 153 . 1 1 5 DG O4' O -9.405 2.142 -1.099 . . . 1.0 . . . . . . . . . . . . A . 5 DG O4' . . . . . . . . . rr_1x2s 1 . 1 . 154 . 1 1 5 DG O5' O -9.333 4.756 -2.757 . . . 1.0 . . . . . . . . . . . . A . 5 DG O5' . . . . . . . . . rr_1x2s 1 . 1 . 155 . 1 1 5 DG O6 O -4.197 -1.968 -1.776 . . . 1.0 . . . . . . . . . . . . A . 5 DG O6 . . . . . . . . . rr_1x2s 1 . 1 . 156 . 1 1 5 DG OP1 O -10.483 6.760 -3.687 . . . 1.0 . . . . . . . . . . . . A . 5 DG OP1 . . . . . . . . . rr_1x2s 1 . 1 . 157 . 1 1 5 DG OP2 O -8.127 6.112 -4.470 . . . 1.0 . . . . . . . . . . . . A . 5 DG OP2 . . . . . . . . . rr_1x2s 1 . 1 . 158 . 1 1 5 DG P P -9.485 5.713 -4.021 . . . 1.0 . . . . . . . . . . . . A . 5 DG P . . . . . . . . . rr_1x2s 1 . 1 . 159 . 1 1 6 DT C1' C -6.136 0.917 4.174 . . . 1.0 . . . . . . . . . . . . A . 6 DT C1' . . . . . . . . . rr_1x2s 1 . 1 . 160 . 1 1 6 DT C2 C -4.340 -0.302 3.043 . . . 1.0 . . . . . . . . . . . . A . 6 DT C2 . . . . . . . . . rr_1x2s 1 . 1 . 161 . 1 1 6 DT C2' C -6.045 2.205 4.957 . . . 1.0 . . . . . . . . . . . . A . 6 DT C2' . . . . . . . . . rr_1x2s 1 . 1 . 162 . 1 1 6 DT C3' C -7.443 2.329 5.532 . . . 1.0 . . . . . . . . . . . . A . 6 DT C3' . . . . . . . . . rr_1x2s 1 . 1 . 163 . 1 1 6 DT C4 C -3.382 0.565 0.947 . . . 1.0 . . . . . . . . . . . . A . 6 DT C4 . . . . . . . . . rr_1x2s 1 . 1 . 164 . 1 1 6 DT C4' C -8.334 1.648 4.497 . . . 1.0 . . . . . . . . . . . . A . 6 DT C4' . . . . . . . . . rr_1x2s 1 . 1 . 165 . 1 1 6 DT C5 C -4.283 1.689 1.029 . . . 1.0 . . . . . . . . . . . . A . 6 DT C5 . . . . . . . . . rr_1x2s 1 . 1 . 166 . 1 1 6 DT C5' C -9.132 2.577 3.614 . . . 1.0 . . . . . . . . . . . . A . 6 DT C5' . . . . . . . . . rr_1x2s 1 . 1 . 167 . 1 1 6 DT C6 C -5.126 1.751 2.070 . . . 1.0 . . . . . . . . . . . . A . 6 DT C6 . . . . . . . . . rr_1x2s 1 . 1 . 168 . 1 1 6 DT C7 C -4.237 2.733 -0.041 . . . 1.0 . . . . . . . . . . . . A . 6 DT C7 . . . . . . . . . rr_1x2s 1 . 1 . 169 . 1 1 6 DT H1' H -6.022 0.053 4.826 . . . 1.0 . . . . . . . . . . . . A . 6 DT H1' . . . . . . . . . rr_1x2s 1 . 1 . 170 . 1 1 6 DT H2' H -5.800 3.053 4.323 . . . 1.0 . . . . . . . . . . . . A . 6 DT H2' . . . . . . . . . rr_1x2s 1 . 1 . 171 . 1 1 6 DT H2'' H -5.297 2.120 5.743 . . . 1.0 . . . . . . . . . . . . A . 6 DT H2'' . . . . . . . . . rr_1x2s 1 . 1 . 172 . 1 1 6 DT H3 H -2.861 -1.140 1.939 . . . 1.0 . . . . . . . . . . . . A . 6 DT H3 . . . . . . . . . rr_1x2s 1 . 1 . 173 . 1 1 6 DT H3' H -7.735 3.368 5.692 . . . 1.0 . . . . . . . . . . . . A . 6 DT H3' . . . . . . . . . rr_1x2s 1 . 1 . 174 . 1 1 6 DT H4' H -9.045 1.036 5.053 . . . 1.0 . . . . . . . . . . . . A . 6 DT H4' . . . . . . . . . rr_1x2s 1 . 1 . 175 . 1 1 6 DT H5' H -9.487 2.026 2.743 . . . 1.0 . . . . . . . . . . . . A . 6 DT H5' . . . . . . . . . rr_1x2s 1 . 1 . 176 . 1 1 6 DT H5'' H -9.989 2.944 4.173 . . . 1.0 . . . . . . . . . . . . A . 6 DT H5'' . . . . . . . . . rr_1x2s 1 . 1 . 177 . 1 1 6 DT H6 H -5.797 2.604 2.141 . . . 1.0 . . . . . . . . . . . . A . 6 DT H6 . . . . . . . . . rr_1x2s 1 . 1 . 178 . 1 1 6 DT H71 H -3.981 3.046 -0.236 . . . 1.0 . . . . . . . . . . . . A . 6 DT H71 . . . . . . . . . rr_1x2s 1 . 1 . 179 . 1 1 6 DT H72 H -4.272 2.814 -0.490 . . . 1.0 . . . . . . . . . . . . A . 6 DT H72 . . . . . . . . . rr_1x2s 1 . 1 . 180 . 1 1 6 DT H73 H -4.424 3.101 -0.178 . . . 1.0 . . . . . . . . . . . . A . 6 DT H73 . . . . . . . . . rr_1x2s 1 . 1 . 181 . 1 1 6 DT N1 N -5.175 0.792 3.061 . . . 1.0 . . . . . . . . . . . . A . 6 DT N1 . . . . . . . . . rr_1x2s 1 . 1 . 182 . 1 1 6 DT N3 N -3.485 -0.349 1.975 . . . 1.0 . . . . . . . . . . . . A . 6 DT N3 . . . . . . . . . rr_1x2s 1 . 1 . 183 . 1 1 6 DT O2 O -4.352 -1.164 3.906 . . . 1.0 . . . . . . . . . . . . A . 6 DT O2 . . . . . . . . . rr_1x2s 1 . 1 . 184 . 1 1 6 DT O3' O -7.551 1.672 6.794 . . . 1.0 . . . . . . . . . . . . A . 6 DT O3' . . . . . . . . . rr_1x2s 1 . 1 . 185 . 1 1 6 DT O4 O -2.566 0.383 0.048 . . . 1.0 . . . . . . . . . . . . A . 6 DT O4 . . . . . . . . . rr_1x2s 1 . 1 . 186 . 1 1 6 DT O4' O -7.442 0.870 3.650 . . . 1.0 . . . . . . . . . . . . A . 6 DT O4' . . . . . . . . . rr_1x2s 1 . 1 . 187 . 1 1 6 DT O5' O -8.326 3.672 3.191 . . . 1.0 . . . . . . . . . . . . A . 6 DT O5' . . . . . . . . . rr_1x2s 1 . 1 . 188 . 1 1 6 DT OP1 O -9.951 5.540 3.438 . . . 1.0 . . . . . . . . . . . . A . 6 DT OP1 . . . . . . . . . rr_1x2s 1 . 1 . 189 . 1 1 6 DT OP2 O -7.893 5.781 1.926 . . . 1.0 . . . . . . . . . . . . A . 6 DT OP2 . . . . . . . . . rr_1x2s 1 . 1 . 190 . 1 1 6 DT P P -8.981 4.941 2.488 . . . 1.0 . . . . . . . . . . . . A . 6 DT P . . . . . . . . . rr_1x2s 1 . 1 . 191 . 1 1 7 DA C1' C -2.423 -1.084 7.330 . . . 1.0 . . . . . . . . . . . . A . 7 DA C1' . . . . . . . . . rr_1x2s 1 . 1 . 192 . 1 1 7 DA C2 C 0.746 -2.612 4.758 . . . 1.0 . . . . . . . . . . . . A . 7 DA C2 . . . . . . . . . rr_1x2s 1 . 1 . 193 . 1 1 7 DA C2' C -2.419 -0.108 8.486 . . . 1.0 . . . . . . . . . . . . A . 7 DA C2' . . . . . . . . . rr_1x2s 1 . 1 . 194 . 1 1 7 DA C3' C -3.593 -0.591 9.318 . . . 1.0 . . . . . . . . . . . . A . 7 DA C3' . . . . . . . . . rr_1x2s 1 . 1 . 195 . 1 1 7 DA C4 C -0.802 -1.185 5.388 . . . 1.0 . . . . . . . . . . . . A . 7 DA C4 . . . . . . . . . rr_1x2s 1 . 1 . 196 . 1 1 7 DA C4' C -4.550 -1.202 8.296 . . . 1.0 . . . . . . . . . . . . A . 7 DA C4' . . . . . . . . . rr_1x2s 1 . 1 . 197 . 1 1 7 DA C5 C -0.558 -0.357 4.308 . . . 1.0 . . . . . . . . . . . . A . 7 DA C5 . . . . . . . . . rr_1x2s 1 . 1 . 198 . 1 1 7 DA C5' C -5.768 -0.371 7.967 . . . 1.0 . . . . . . . . . . . . A . 7 DA C5' . . . . . . . . . rr_1x2s 1 . 1 . 199 . 1 1 7 DA C6 C 0.444 -0.757 3.411 . . . 1.0 . . . . . . . . . . . . A . 7 DA C6 . . . . . . . . . rr_1x2s 1 . 1 . 200 . 1 1 7 DA C8 C -2.112 0.569 5.419 . . . 1.0 . . . . . . . . . . . . A . 7 DA C8 . . . . . . . . . rr_1x2s 1 . 1 . 201 . 1 1 7 DA H1' H -1.939 -2.024 7.600 . . . 1.0 . . . . . . . . . . . . A . 7 DA H1' . . . . . . . . . rr_1x2s 1 . 1 . 202 . 1 1 7 DA H2 H 1.299 -3.537 4.914 . . . 1.0 . . . . . . . . . . . . A . 7 DA H2 . . . . . . . . . rr_1x2s 1 . 1 . 203 . 1 1 7 DA H2' H -2.562 0.920 8.157 . . . 1.0 . . . . . . . . . . . . A . 7 DA H2' . . . . . . . . . rr_1x2s 1 . 1 . 204 . 1 1 7 DA H2'' H -1.482 -0.178 9.039 . . . 1.0 . . . . . . . . . . . . A . 7 DA H2'' . . . . . . . . . rr_1x2s 1 . 1 . 205 . 1 1 7 DA H3' H -4.064 0.219 9.878 . . . 1.0 . . . . . . . . . . . . A . 7 DA H3' . . . . . . . . . rr_1x2s 1 . 1 . 206 . 1 1 7 DA H4' H -4.901 -2.141 8.722 . . . 1.0 . . . . . . . . . . . . A . 7 DA H4' . . . . . . . . . rr_1x2s 1 . 1 . 207 . 1 1 7 DA H5' H -6.119 -0.628 6.968 . . . 1.0 . . . . . . . . . . . . A . 7 DA H5' . . . . . . . . . rr_1x2s 1 . 1 . 208 . 1 1 7 DA H5'' H -6.553 -0.597 8.686 . . . 1.0 . . . . . . . . . . . . A . 7 DA H5'' . . . . . . . . . rr_1x2s 1 . 1 . 209 . 1 1 7 DA H61 H 1.514 -0.401 1.715 . . . 1.0 . . . . . . . . . . . . A . 7 DA H61 . . . . . . . . . rr_1x2s 1 . 1 . 210 . 1 1 7 DA H62 H 0.314 0.805 2.111 . . . 1.0 . . . . . . . . . . . . A . 7 DA H62 . . . . . . . . . rr_1x2s 1 . 1 . 211 . 1 1 7 DA H8 H -2.868 1.265 5.747 . . . 1.0 . . . . . . . . . . . . A . 7 DA H8 . . . . . . . . . rr_1x2s 1 . 1 . 212 . 1 1 7 DA N1 N 1.091 -1.913 3.669 . . . 1.0 . . . . . . . . . . . . A . 7 DA N1 . . . . . . . . . rr_1x2s 1 . 1 . 213 . 1 1 7 DA N3 N -0.178 -2.340 5.674 . . . 1.0 . . . . . . . . . . . . A . 7 DA N3 . . . . . . . . . rr_1x2s 1 . 1 . 214 . 1 1 7 DA N6 N 0.786 -0.061 2.325 . . . 1.0 . . . . . . . . . . . . A . 7 DA N6 . . . . . . . . . rr_1x2s 1 . 1 . 215 . 1 1 7 DA N7 N -1.393 0.749 4.339 . . . 1.0 . . . . . . . . . . . . A . 7 DA N7 . . . . . . . . . rr_1x2s 1 . 1 . 216 . 1 1 7 DA N9 N -1.810 -0.584 6.100 . . . 1.0 . . . . . . . . . . . . A . 7 DA N9 . . . . . . . . . rr_1x2s 1 . 1 . 217 . 1 1 7 DA O3' O -3.187 -1.570 10.274 . . . 1.0 . . . . . . . . . . . . A . 7 DA O3' . . . . . . . . . rr_1x2s 1 . 1 . 218 . 1 1 7 DA O4' O -3.777 -1.375 7.075 . . . 1.0 . . . . . . . . . . . . A . 7 DA O4' . . . . . . . . . rr_1x2s 1 . 1 . 219 . 1 1 7 DA O5' O -5.450 1.015 8.021 . . . 1.0 . . . . . . . . . . . . A . 7 DA O5' . . . . . . . . . rr_1x2s 1 . 1 . 220 . 1 1 7 DA OP1 O -7.389 1.962 9.263 . . . 1.0 . . . . . . . . . . . . A . 7 DA OP1 . . . . . . . . . rr_1x2s 1 . 1 . 221 . 1 1 7 DA OP2 O -5.988 3.429 7.693 . . . 1.0 . . . . . . . . . . . . A . 7 DA OP2 . . . . . . . . . rr_1x2s 1 . 1 . 222 . 1 1 7 DA P P -6.601 2.116 8.014 . . . 1.0 . . . . . . . . . . . . A . 7 DA P . . . . . . . . . rr_1x2s 1 . 1 . 223 . 1 1 8 DC C1' C 2.325 -2.114 8.522 . . . 1.0 . . . . . . . . . . . . A . 8 DC C1' . . . . . . . . . rr_1x2s 1 . 1 . 224 . 1 1 8 DC C2 C 3.141 -1.047 6.448 . . . 1.0 . . . . . . . . . . . . A . 8 DC C2 . . . . . . . . . rr_1x2s 1 . 1 . 225 . 1 1 8 DC C2' C 2.523 -1.702 9.961 . . . 1.0 . . . . . . . . . . . . A . 8 DC C2' . . . . . . . . . rr_1x2s 1 . 1 . 226 . 1 1 8 DC C3' C 1.924 -2.875 10.717 . . . 1.0 . . . . . . . . . . . . A . 8 DC C3' . . . . . . . . . rr_1x2s 1 . 1 . 227 . 1 1 8 DC C4 C 2.256 0.975 5.714 . . . 1.0 . . . . . . . . . . . . A . 8 DC C4 . . . . . . . . . rr_1x2s 1 . 1 . 228 . 1 1 8 DC C4' C 0.844 -3.413 9.779 . . . 1.0 . . . . . . . . . . . . A . 8 DC C4' . . . . . . . . . rr_1x2s 1 . 1 . 229 . 1 1 8 DC C5 C 1.375 1.044 6.831 . . . 1.0 . . . . . . . . . . . . A . 8 DC C5 . . . . . . . . . rr_1x2s 1 . 1 . 230 . 1 1 8 DC C5' C -0.580 -3.105 10.177 . . . 1.0 . . . . . . . . . . . . A . 8 DC C5' . . . . . . . . . rr_1x2s 1 . 1 . 231 . 1 1 8 DC C6 C 1.425 0.041 7.718 . . . 1.0 . . . . . . . . . . . . A . 8 DC C6 . . . . . . . . . rr_1x2s 1 . 1 . 232 . 1 1 8 DC H1' H 3.090 -2.822 8.207 . . . 1.0 . . . . . . . . . . . . A . 8 DC H1' . . . . . . . . . rr_1x2s 1 . 1 . 233 . 1 1 8 DC H2' H 2.009 -0.774 10.197 . . . 1.0 . . . . . . . . . . . . A . 8 DC H2' . . . . . . . . . rr_1x2s 1 . 1 . 234 . 1 1 8 DC H2'' H 3.585 -1.587 10.179 . . . 1.0 . . . . . . . . . . . . A . 8 DC H2'' . . . . . . . . . rr_1x2s 1 . 1 . 235 . 1 1 8 DC H3' H 1.510 -2.580 11.682 . . . 1.0 . . . . . . . . . . . . A . 8 DC H3' . . . . . . . . . rr_1x2s 1 . 1 . 236 . 1 1 8 DC H4' H 0.952 -4.498 9.769 . . . 1.0 . . . . . . . . . . . . A . 8 DC H4' . . . . . . . . . rr_1x2s 1 . 1 . 237 . 1 1 8 DC H41 H 2.873 1.895 4.006 . . . 1.0 . . . . . . . . . . . . A . 8 DC H41 . . . . . . . . . rr_1x2s 1 . 1 . 238 . 1 1 8 DC H42 H 1.620 2.726 4.893 . . . 1.0 . . . . . . . . . . . . A . 8 DC H42 . . . . . . . . . rr_1x2s 1 . 1 . 239 . 1 1 8 DC H5 H 0.686 1.876 6.956 . . . 1.0 . . . . . . . . . . . . A . 8 DC H5 . . . . . . . . . rr_1x2s 1 . 1 . 240 . 1 1 8 DC H5' H -1.235 -3.285 9.328 . . . 1.0 . . . . . . . . . . . . A . 8 DC H5' . . . . . . . . . rr_1x2s 1 . 1 . 241 . 1 1 8 DC H5'' H -0.869 -3.765 10.992 . . . 1.0 . . . . . . . . . . . . A . 8 DC H5'' . . . . . . . . . rr_1x2s 1 . 1 . 242 . 1 1 8 DC H6 H 0.770 0.066 8.586 . . . 1.0 . . . . . . . . . . . . A . 8 DC H6 . . . . . . . . . rr_1x2s 1 . 1 . 243 . 1 1 8 DC N1 N 2.284 -1.007 7.551 . . . 1.0 . . . . . . . . . . . . A . 8 DC N1 . . . . . . . . . rr_1x2s 1 . 1 . 244 . 1 1 8 DC N3 N 3.103 -0.040 5.546 . . . 1.0 . . . . . . . . . . . . A . 8 DC N3 . . . . . . . . . rr_1x2s 1 . 1 . 245 . 1 1 8 DC N4 N 2.249 1.944 4.797 . . . 1.0 . . . . . . . . . . . . A . 8 DC N4 . . . . . . . . . rr_1x2s 1 . 1 . 246 . 1 1 8 DC O2 O 3.916 -2.005 6.325 . . . 1.0 . . . . . . . . . . . . A . 8 DC O2 . . . . . . . . . rr_1x2s 1 . 1 . 247 . 1 1 8 DC O3' O 2.905 -3.878 10.978 . . . 1.0 . . . . . . . . . . . . A . 8 DC O3' . . . . . . . . . rr_1x2s 1 . 1 . 248 . 1 1 8 DC O4' O 1.093 -2.796 8.485 . . . 1.0 . . . . . . . . . . . . A . 8 DC O4' . . . . . . . . . rr_1x2s 1 . 1 . 249 . 1 1 8 DC O5' O -0.696 -1.750 10.593 . . . 1.0 . . . . . . . . . . . . A . 8 DC O5' . . . . . . . . . rr_1x2s 1 . 1 . 250 . 1 1 8 DC OP1 O -2.227 -2.056 12.538 . . . 1.0 . . . . . . . . . . . . A . 8 DC OP1 . . . . . . . . . rr_1x2s 1 . 1 . 251 . 1 1 8 DC OP2 O -1.922 0.245 11.445 . . . 1.0 . . . . . . . . . . . . A . 8 DC OP2 . . . . . . . . . rr_1x2s 1 . 1 . 252 . 1 1 8 DC P P -2.013 -1.231 11.322 . . . 1.0 . . . . . . . . . . . . A . 8 DC P . . . . . . . . . rr_1x2s 1 . 1 . 253 . 1 1 9 DA C1' C 7.471 -1.960 7.833 . . . 1.0 . . . . . . . . . . . . A . 9 DA C1' . . . . . . . . . rr_1x2s 1 . 1 . 254 . 1 1 9 DA C2 C 8.303 0.512 4.349 . . . 1.0 . . . . . . . . . . . . A . 9 DA C2 . . . . . . . . . rr_1x2s 1 . 1 . 255 . 1 1 9 DA C2' C 7.988 -1.945 9.253 . . . 1.0 . . . . . . . . . . . . A . 9 DA C2' . . . . . . . . . rr_1x2s 1 . 1 . 256 . 1 1 9 DA C3' C 7.909 -3.413 9.633 . . . 1.0 . . . . . . . . . . . . A . 9 DA C3' . . . . . . . . . rr_1x2s 1 . 1 . 257 . 1 1 9 DA C4 C 7.281 -0.023 6.219 . . . 1.0 . . . . . . . . . . . . A . 9 DA C4 . . . . . . . . . rr_1x2s 1 . 1 . 258 . 1 1 9 DA C4' C 6.739 -3.951 8.812 . . . 1.0 . . . . . . . . . . . . A . 9 DA C4' . . . . . . . . . rr_1x2s 1 . 1 . 259 . 1 1 9 DA C5 C 6.484 1.105 6.174 . . . 1.0 . . . . . . . . . . . . A . 9 DA C5 . . . . . . . . . rr_1x2s 1 . 1 . 260 . 1 1 9 DA C5' C 5.466 -4.214 9.581 . . . 1.0 . . . . . . . . . . . . A . 9 DA C5' . . . . . . . . . rr_1x2s 1 . 1 . 261 . 1 1 9 DA C6 C 6.667 1.970 5.084 . . . 1.0 . . . . . . . . . . . . A . 9 DA C6 . . . . . . . . . rr_1x2s 1 . 1 . 262 . 1 1 9 DA C8 C 5.925 0.063 7.938 . . . 1.0 . . . . . . . . . . . . A . 9 DA C8 . . . . . . . . . rr_1x2s 1 . 1 . 263 . 1 1 9 DA H1' H 8.243 -2.281 7.132 . . . 1.0 . . . . . . . . . . . . A . 9 DA H1' . . . . . . . . . rr_1x2s 1 . 1 . 264 . 1 1 9 DA H2 H 9.050 0.299 3.584 . . . 1.0 . . . . . . . . . . . . A . 9 DA H2 . . . . . . . . . rr_1x2s 1 . 1 . 265 . 1 1 9 DA H2' H 7.371 -1.332 9.910 . . . 1.0 . . . . . . . . . . . . A . 9 DA H2' . . . . . . . . . rr_1x2s 1 . 1 . 266 . 1 1 9 DA H2'' H 9.013 -1.579 9.283 . . . 1.0 . . . . . . . . . . . . A . 9 DA H2'' . . . . . . . . . rr_1x2s 1 . 1 . 267 . 1 1 9 DA H3' H 7.752 -3.557 10.703 . . . 1.0 . . . . . . . . . . . . A . 9 DA H3' . . . . . . . . . rr_1x2s 1 . 1 . 268 . 1 1 9 DA H4' H 7.065 -4.901 8.389 . . . 1.0 . . . . . . . . . . . . A . 9 DA H4' . . . . . . . . . rr_1x2s 1 . 1 . 269 . 1 1 9 DA H5' H 4.615 -4.128 8.906 . . . 1.0 . . . . . . . . . . . . A . 9 DA H5' . . . . . . . . . rr_1x2s 1 . 1 . 270 . 1 1 9 DA H5'' H 5.498 -5.226 9.979 . . . 1.0 . . . . . . . . . . . . A . 9 DA H5'' . . . . . . . . . rr_1x2s 1 . 1 . 271 . 1 1 9 DA H61 H 6.147 3.674 4.100 . . . 1.0 . . . . . . . . . . . . A . 9 DA H61 . . . . . . . . . rr_1x2s 1 . 1 . 272 . 1 1 9 DA H62 H 5.263 3.360 5.575 . . . 1.0 . . . . . . . . . . . . A . 9 DA H62 . . . . . . . . . rr_1x2s 1 . 1 . 273 . 1 1 9 DA H8 H 5.442 -0.204 8.864 . . . 1.0 . . . . . . . . . . . . A . 9 DA H8 . . . . . . . . . rr_1x2s 1 . 1 . 274 . 1 1 9 DA N1 N 7.605 1.639 4.171 . . . 1.0 . . . . . . . . . . . . A . 9 DA N1 . . . . . . . . . rr_1x2s 1 . 1 . 275 . 1 1 9 DA N3 N 8.220 -0.383 5.329 . . . 1.0 . . . . . . . . . . . . A . 9 DA N3 . . . . . . . . . rr_1x2s 1 . 1 . 276 . 1 1 9 DA N6 N 5.969 3.093 4.905 . . . 1.0 . . . . . . . . . . . . A . 9 DA N6 . . . . . . . . . rr_1x2s 1 . 1 . 277 . 1 1 9 DA N7 N 5.629 1.148 7.266 . . . 1.0 . . . . . . . . . . . . A . 9 DA N7 . . . . . . . . . rr_1x2s 1 . 1 . 278 . 1 1 9 DA N9 N 6.912 -0.695 7.359 . . . 1.0 . . . . . . . . . . . . A . 9 DA N9 . . . . . . . . . rr_1x2s 1 . 1 . 279 . 1 1 9 DA O3' O 9.110 -4.105 9.296 . . . 1.0 . . . . . . . . . . . . A . 9 DA O3' . . . . . . . . . rr_1x2s 1 . 1 . 280 . 1 1 9 DA O4' O 6.459 -2.938 7.806 . . . 1.0 . . . . . . . . . . . . A . 9 DA O4' . . . . . . . . . rr_1x2s 1 . 1 . 281 . 1 1 9 DA O5' O 5.329 -3.280 10.648 . . . 1.0 . . . . . . . . . . . . A . 9 DA O5' . . . . . . . . . rr_1x2s 1 . 1 . 282 . 1 1 9 DA OP1 O 4.634 -4.705 12.566 . . . 1.0 . . . . . . . . . . . . A . 9 DA OP1 . . . . . . . . . rr_1x2s 1 . 1 . 283 . 1 1 9 DA OP2 O 4.033 -2.213 12.493 . . . 1.0 . . . . . . . . . . . . A . 9 DA OP2 . . . . . . . . . rr_1x2s 1 . 1 . 284 . 1 1 9 DA P P 4.242 -3.503 11.789 . . . 1.0 . . . . . . . . . . . . A . 9 DA P . . . . . . . . . rr_1x2s 1 . 1 . 285 . 1 1 10 DG C1' C 12.035 -0.155 6.177 . . . 1.0 . . . . . . . . . . . . A . 10 DG C1' . . . . . . . . . rr_1x2s 1 . 1 . 286 . 1 1 10 DG C2 C 11.208 3.359 3.785 . . . 1.0 . . . . . . . . . . . . A . 10 DG C2 . . . . . . . . . rr_1x2s 1 . 1 . 287 . 1 1 10 DG C2' C 12.935 -0.427 7.360 . . . 1.0 . . . . . . . . . . . . A . 10 DG C2' . . . . . . . . . rr_1x2s 1 . 1 . 288 . 1 1 10 DG C3' C 13.303 -1.882 7.147 . . . 1.0 . . . . . . . . . . . . A . 10 DG C3' . . . . . . . . . rr_1x2s 1 . 1 . 289 . 1 1 10 DG C4 C 10.915 2.011 5.515 . . . 1.0 . . . . . . . . . . . . A . 10 DG C4 . . . . . . . . . rr_1x2s 1 . 1 . 290 . 1 1 10 DG C4' C 12.075 -2.477 6.465 . . . 1.0 . . . . . . . . . . . . A . 10 DG C4' . . . . . . . . . rr_1x2s 1 . 1 . 291 . 1 1 10 DG C5 C 9.918 2.767 6.091 . . . 1.0 . . . . . . . . . . . . A . 10 DG C5 . . . . . . . . . rr_1x2s 1 . 1 . 292 . 1 1 10 DG C5' C 11.170 -3.299 7.351 . . . 1.0 . . . . . . . . . . . . A . 10 DG C5' . . . . . . . . . rr_1x2s 1 . 1 . 293 . 1 1 10 DG C6 C 9.508 3.961 5.446 . . . 1.0 . . . . . . . . . . . . A . 10 DG C6 . . . . . . . . . rr_1x2s 1 . 1 . 294 . 1 1 10 DG C8 C 10.194 1.104 7.383 . . . 1.0 . . . . . . . . . . . . A . 10 DG C8 . . . . . . . . . rr_1x2s 1 . 1 . 295 . 1 1 10 DG H1 H 10.002 5.011 3.744 . . . 1.0 . . . . . . . . . . . . A . 10 DG H1 . . . . . . . . . rr_1x2s 1 . 1 . 296 . 1 1 10 DG H1' H 12.614 0.038 5.275 . . . 1.0 . . . . . . . . . . . . A . 10 DG H1' . . . . . . . . . rr_1x2s 1 . 1 . 297 . 1 1 10 DG H2' H 12.423 -0.285 8.309 . . . 1.0 . . . . . . . . . . . . A . 10 DG H2' . . . . . . . . . rr_1x2s 1 . 1 . 298 . 1 1 10 DG H2'' H 13.813 0.215 7.330 . . . 1.0 . . . . . . . . . . . . A . 10 DG H2'' . . . . . . . . . rr_1x2s 1 . 1 . 299 . 1 1 10 DG H21 H 11.492 4.594 2.184 . . . 1.0 . . . . . . . . . . . . A . 10 DG H21 . . . . . . . . . rr_1x2s 1 . 1 . 300 . 1 1 10 DG H22 H 12.517 3.179 2.228 . . . 1.0 . . . . . . . . . . . . A . 10 DG H22 . . . . . . . . . rr_1x2s 1 . 1 . 301 . 1 1 10 DG H3' H 13.531 -2.395 8.084 . . . 1.0 . . . . . . . . . . . . A . 10 DG H3' . . . . . . . . . rr_1x2s 1 . 1 . 302 . 1 1 10 DG H4' H 12.444 -3.134 5.681 . . . 1.0 . . . . . . . . . . . . A . 10 DG H4' . . . . . . . . . rr_1x2s 1 . 1 . 303 . 1 1 10 DG H5' H 10.165 -3.290 6.940 . . . 1.0 . . . . . . . . . . . . A . 10 DG H5' . . . . . . . . . rr_1x2s 1 . 1 . 304 . 1 1 10 DG H5'' H 11.533 -4.321 7.373 . . . 1.0 . . . . . . . . . . . . A . 10 DG H5'' . . . . . . . . . rr_1x2s 1 . 1 . 305 . 1 1 10 DG H8 H 10.101 0.413 8.207 . . . 1.0 . . . . . . . . . . . . A . 10 DG H8 . . . . . . . . . rr_1x2s 1 . 1 . 306 . 1 1 10 DG N1 N 10.225 4.182 4.274 . . . 1.0 . . . . . . . . . . . . A . 10 DG N1 . . . . . . . . . rr_1x2s 1 . 1 . 307 . 1 1 10 DG N2 N 11.787 3.742 2.638 . . . 1.0 . . . . . . . . . . . . A . 10 DG N2 . . . . . . . . . rr_1x2s 1 . 1 . 308 . 1 1 10 DG N3 N 11.598 2.244 4.375 . . . 1.0 . . . . . . . . . . . . A . 10 DG N3 . . . . . . . . . rr_1x2s 1 . 1 . 309 . 1 1 10 DG N7 N 9.471 2.182 7.268 . . . 1.0 . . . . . . . . . . . . A . 10 DG N7 . . . . . . . . . rr_1x2s 1 . 1 . 310 . 1 1 10 DG N9 N 11.087 0.938 6.355 . . . 1.0 . . . . . . . . . . . . A . 10 DG N9 . . . . . . . . . rr_1x2s 1 . 1 . 311 . 1 1 10 DG O3' O 14.451 -2.021 6.311 . . . 1.0 . . . . . . . . . . . . A . 10 DG O3' . . . . . . . . . rr_1x2s 1 . 1 . 312 . 1 1 10 DG O4' O 11.317 -1.345 5.961 . . . 1.0 . . . . . . . . . . . . A . 10 DG O4' . . . . . . . . . rr_1x2s 1 . 1 . 313 . 1 1 10 DG O5' O 11.151 -2.769 8.671 . . . 1.0 . . . . . . . . . . . . A . 10 DG O5' . . . . . . . . . rr_1x2s 1 . 1 . 314 . 1 1 10 DG O6 O 8.640 4.767 5.798 . . . 1.0 . . . . . . . . . . . . A . 10 DG O6 . . . . . . . . . rr_1x2s 1 . 1 . 315 . 1 1 10 DG OP1 O 11.364 -4.802 10.092 . . . 1.0 . . . . . . . . . . . . A . 10 DG OP1 . . . . . . . . . rr_1x2s 1 . 1 . 316 . 1 1 10 DG OP2 O 10.273 -2.668 11.006 . . . 1.0 . . . . . . . . . . . . A . 10 DG OP2 . . . . . . . . . rr_1x2s 1 . 1 . 317 . 1 1 10 DG P P 10.522 -3.599 9.876 . . . 1.0 . . . . . . . . . . . . A . 10 DG P . . . . . . . . . rr_1x2s 1 . 1 . 318 . 1 1 11 DT C1' C 15.128 3.469 4.710 . . . 1.0 . . . . . . . . . . . . A . 11 DT C1' . . . . . . . . . rr_1x2s 1 . 1 . 319 . 1 1 11 DT C2 C 13.442 5.143 5.299 . . . 1.0 . . . . . . . . . . . . A . 11 DT C2 . . . . . . . . . rr_1x2s 1 . 1 . 320 . 1 1 11 DT C2' C 16.449 3.155 5.364 . . . 1.0 . . . . . . . . . . . . A . 11 DT C2' . . . . . . . . . rr_1x2s 1 . 1 . 321 . 1 1 11 DT C3' C 17.045 2.143 4.411 . . . 1.0 . . . . . . . . . . . . A . 11 DT C3' . . . . . . . . . rr_1x2s 1 . 1 . 322 . 1 1 11 DT C4 C 12.101 4.887 7.345 . . . 1.0 . . . . . . . . . . . . A . 11 DT C4 . . . . . . . . . rr_1x2s 1 . 1 . 323 . 1 1 11 DT C4' C 15.831 1.415 3.848 . . . 1.0 . . . . . . . . . . . . A . 11 DT C4' . . . . . . . . . rr_1x2s 1 . 1 . 324 . 1 1 11 DT C5 C 12.805 3.657 7.621 . . . 1.0 . . . . . . . . . . . . A . 11 DT C5 . . . . . . . . . rr_1x2s 1 . 1 . 325 . 1 1 11 DT C5' C 15.559 0.056 4.439 . . . 1.0 . . . . . . . . . . . . A . 11 DT C5' . . . . . . . . . rr_1x2s 1 . 1 . 326 . 1 1 11 DT C6 C 13.746 3.256 6.756 . . . 1.0 . . . . . . . . . . . . A . 11 DT C6 . . . . . . . . . rr_1x2s 1 . 1 . 327 . 1 1 11 DT C7 C 12.462 2.890 8.857 . . . 1.0 . . . . . . . . . . . . A . 11 DT C7 . . . . . . . . . rr_1x2s 1 . 1 . 328 . 1 1 11 DT H1' H 15.254 4.188 3.908 . . . 1.0 . . . . . . . . . . . . A . 11 DT H1' . . . . . . . . . rr_1x2s 1 . 1 . 329 . 1 1 11 DT H2' H 16.321 2.740 6.354 . . . 1.0 . . . . . . . . . . . . A . 11 DT H2' . . . . . . . . . rr_1x2s 1 . 1 . 330 . 1 1 11 DT H2'' H 17.065 4.044 5.428 . . . 1.0 . . . . . . . . . . . . A . 11 DT H2'' . . . . . . . . . rr_1x2s 1 . 1 . 331 . 1 1 11 DT H3 H 12.003 6.399 5.984 . . . 1.0 . . . . . . . . . . . . A . 11 DT H3 . . . . . . . . . rr_1x2s 1 . 1 . 332 . 1 1 11 DT H3' H 17.729 1.459 4.909 . . . 1.0 . . . . . . . . . . . . A . 11 DT H3' . . . . . . . . . rr_1x2s 1 . 1 . 333 . 1 1 11 DT H4' H 16.021 1.275 2.786 . . . 1.0 . . . . . . . . . . . . A . 11 DT H4' . . . . . . . . . rr_1x2s 1 . 1 . 334 . 1 1 11 DT H5' H 14.534 -0.233 4.216 . . . 1.0 . . . . . . . . . . . . A . 11 DT H5' . . . . . . . . . rr_1x2s 1 . 1 . 335 . 1 1 11 DT H5'' H 16.237 -0.665 3.988 . . . 1.0 . . . . . . . . . . . . A . 11 DT H5'' . . . . . . . . . rr_1x2s 1 . 1 . 336 . 1 1 11 DT H6 H 14.274 2.326 6.959 . . . 1.0 . . . . . . . . . . . . A . 11 DT H6 . . . . . . . . . rr_1x2s 1 . 1 . 337 . 1 1 11 DT H71 H 12.440 2.529 9.090 . . . 1.0 . . . . . . . . . . . . A . 11 DT H71 . . . . . . . . . rr_1x2s 1 . 1 . 338 . 1 1 11 DT H72 H 12.500 2.815 9.261 . . . 1.0 . . . . . . . . . . . . A . 11 DT H72 . . . . . . . . . rr_1x2s 1 . 1 . 339 . 1 1 11 DT H73 H 12.196 2.766 9.122 . . . 1.0 . . . . . . . . . . . . A . 11 DT H73 . . . . . . . . . rr_1x2s 1 . 1 . 340 . 1 1 11 DT N1 N 14.076 3.963 5.619 . . . 1.0 . . . . . . . . . . . . A . 11 DT N1 . . . . . . . . . rr_1x2s 1 . 1 . 341 . 1 1 11 DT N3 N 12.482 5.537 6.192 . . . 1.0 . . . . . . . . . . . . A . 11 DT N3 . . . . . . . . . rr_1x2s 1 . 1 . 342 . 1 1 11 DT O2 O 13.707 5.793 4.303 . . . 1.0 . . . . . . . . . . . . A . 11 DT O2 . . . . . . . . . rr_1x2s 1 . 1 . 343 . 1 1 11 DT O3' O 17.783 2.766 3.363 . . . 1.0 . . . . . . . . . . . . A . 11 DT O3' . . . . . . . . . rr_1x2s 1 . 1 . 344 . 1 1 11 DT O4 O 11.216 5.364 8.050 . . . 1.0 . . . . . . . . . . . . A . 11 DT O4 . . . . . . . . . rr_1x2s 1 . 1 . 345 . 1 1 11 DT O4' O 14.688 2.270 4.126 . . . 1.0 . . . . . . . . . . . . A . 11 DT O4' . . . . . . . . . rr_1x2s 1 . 1 . 346 . 1 1 11 DT O5' O 15.751 0.082 5.848 . . . 1.0 . . . . . . . . . . . . A . 11 DT O5' . . . . . . . . . rr_1x2s 1 . 1 . 347 . 1 1 11 DT OP1 O 16.946 -2.072 6.168 . . . 1.0 . . . . . . . . . . . . A . 11 DT OP1 . . . . . . . . . rr_1x2s 1 . 1 . 348 . 1 1 11 DT OP2 O 15.763 -0.922 8.127 . . . 1.0 . . . . . . . . . . . . A . 11 DT OP2 . . . . . . . . . rr_1x2s 1 . 1 . 349 . 1 1 11 DT P P 15.816 -1.267 6.687 . . . 1.0 . . . . . . . . . . . . A . 11 DT P . . . . . . . . . rr_1x2s 1 . 1 . 350 . 1 1 12 DC C1' C 16.625 8.330 4.025 . . . 1.0 . . . . . . . . . . . . A . 12 DC C1' . . . . . . . . . rr_1x2s 1 . 1 . 351 . 1 1 12 DC C2 C 14.907 8.988 5.671 . . . 1.0 . . . . . . . . . . . . A . 12 DC C2 . . . . . . . . . rr_1x2s 1 . 1 . 352 . 1 1 12 DC C2' C 18.132 8.398 4.147 . . . 1.0 . . . . . . . . . . . . A . 12 DC C2' . . . . . . . . . rr_1x2s 1 . 1 . 353 . 1 1 12 DC C3' C 18.598 7.970 2.768 . . . 1.0 . . . . . . . . . . . . A . 12 DC C3' . . . . . . . . . rr_1x2s 1 . 1 . 354 . 1 1 12 DC C4 C 14.454 7.669 7.522 . . . 1.0 . . . . . . . . . . . . A . 12 DC C4 . . . . . . . . . rr_1x2s 1 . 1 . 355 . 1 1 12 DC C4' C 17.488 7.065 2.253 . . . 1.0 . . . . . . . . . . . . A . 12 DC C4' . . . . . . . . . rr_1x2s 1 . 1 . 356 . 1 1 12 DC C5 C 15.442 6.719 7.138 . . . 1.0 . . . . . . . . . . . . A . 12 DC C5 . . . . . . . . . rr_1x2s 1 . 1 . 357 . 1 1 12 DC C5' C 17.792 5.590 2.259 . . . 1.0 . . . . . . . . . . . . A . 12 DC C5' . . . . . . . . . rr_1x2s 1 . 1 . 358 . 1 1 12 DC C6 C 16.124 6.956 6.014 . . . 1.0 . . . . . . . . . . . . A . 12 DC C6 . . . . . . . . . rr_1x2s 1 . 1 . 359 . 1 1 12 DC H1' H 16.231 9.242 3.590 . . . 1.0 . . . . . . . . . . . . A . 12 DC H1' . . . . . . . . . rr_1x2s 1 . 1 . 360 . 1 1 12 DC H2' H 18.515 7.736 4.917 . . . 1.0 . . . . . . . . . . . . A . 12 DC H2' . . . . . . . . . rr_1x2s 1 . 1 . 361 . 1 1 12 DC H2'' H 18.440 9.419 4.371 . . . 1.0 . . . . . . . . . . . . A . 12 DC H2'' . . . . . . . . . rr_1x2s 1 . 1 . 362 . 1 1 12 DC H3' H 19.554 7.452 2.796 . . . 1.0 . . . . . . . . . . . . A . 12 DC H3' . . . . . . . . . rr_1x2s 1 . 1 . 363 . 1 1 12 DC H4' H 17.308 7.349 1.221 . . . 1.0 . . . . . . . . . . . . A . 12 DC H4' . . . . . . . . . rr_1x2s 1 . 1 . 364 . 1 1 12 DC H41 H 13.042 8.158 8.903 . . . 1.0 . . . . . . . . . . . . A . 12 DC H41 . . . . . . . . . rr_1x2s 1 . 1 . 365 . 1 1 12 DC H42 H 13.899 6.668 9.199 . . . 1.0 . . . . . . . . . . . . A . 12 DC H42 . . . . . . . . . rr_1x2s 1 . 1 . 366 . 1 1 12 DC H5 H 15.642 5.838 7.741 . . . 1.0 . . . . . . . . . . . . A . 12 DC H5 . . . . . . . . . rr_1x2s 1 . 1 . 367 . 1 1 12 DC H5' H 16.882 5.035 2.066 . . . 1.0 . . . . . . . . . . . . A . 12 DC H5' . . . . . . . . . rr_1x2s 1 . 1 . 368 . 1 1 12 DC H5'' H 18.503 5.370 1.472 . . . 1.0 . . . . . . . . . . . . A . 12 DC H5'' . . . . . . . . . rr_1x2s 1 . 1 . 369 . 1 1 12 DC H6 H 16.891 6.254 5.698 . . . 1.0 . . . . . . . . . . . . A . 12 DC H6 . . . . . . . . . rr_1x2s 1 . 1 . 370 . 1 1 12 DC HO3' H 18.935 9.105 1.526 . . . 1.0 . . . . . . . . . . . . A . 12 DC HO3' . . . . . . . . . rr_1x2s 1 . 1 . 371 . 1 1 12 DC N1 N 15.881 8.070 5.267 . . . 1.0 . . . . . . . . . . . . A . 12 DC N1 . . . . . . . . . rr_1x2s 1 . 1 . 372 . 1 1 12 DC N3 N 14.209 8.759 6.803 . . . 1.0 . . . . . . . . . . . . A . 12 DC N3 . . . . . . . . . rr_1x2s 1 . 1 . 373 . 1 1 12 DC N4 N 13.740 7.483 8.631 . . . 1.0 . . . . . . . . . . . . A . 12 DC N4 . . . . . . . . . rr_1x2s 1 . 1 . 374 . 1 1 12 DC O2 O 14.709 9.992 4.979 . . . 1.0 . . . . . . . . . . . . A . 12 DC O2 . . . . . . . . . rr_1x2s 1 . 1 . 375 . 1 1 12 DC O3' O 18.775 9.107 1.923 . . . 1.0 . . . . . . . . . . . . A . 12 DC O3' . . . . . . . . . rr_1x2s 1 . 1 . 376 . 1 1 12 DC O4' O 16.351 7.297 3.120 . . . 1.0 . . . . . . . . . . . . A . 12 DC O4' . . . . . . . . . rr_1x2s 1 . 1 . 377 . 1 1 12 DC O5' O 18.327 5.210 3.511 . . . 1.0 . . . . . . . . . . . . A . 12 DC O5' . . . . . . . . . rr_1x2s 1 . 1 . 378 . 1 1 12 DC OP1 O 20.024 3.603 2.671 . . . 1.0 . . . . . . . . . . . . A . 12 DC OP1 . . . . . . . . . rr_1x2s 1 . 1 . 379 . 1 1 12 DC OP2 O 19.330 3.623 5.135 . . . 1.0 . . . . . . . . . . . . A . 12 DC OP2 . . . . . . . . . rr_1x2s 1 . 1 . 380 . 1 1 12 DC P P 18.979 3.778 3.703 . . . 1.0 . . . . . . . . . . . . A . 12 DC P . . . . . . . . . rr_1x2s 1 . 1 . 381 . 2 1 1 DG C1' C 9.243 15.015 7.369 . . . 1.0 . . . . . . . . . . . . B . 13 DG C1' . . . . . . . . . rr_1x2s 1 . 1 . 382 . 2 1 1 DG C2 C 12.225 12.090 6.254 . . . 1.0 . . . . . . . . . . . . B . 13 DG C2 . . . . . . . . . rr_1x2s 1 . 1 . 383 . 2 1 1 DG C2' C 7.774 15.121 7.084 . . . 1.0 . . . . . . . . . . . . B . 13 DG C2' . . . . . . . . . rr_1x2s 1 . 1 . 384 . 2 1 1 DG C3' C 7.588 16.623 7.021 . . . 1.0 . . . . . . . . . . . . B . 13 DG C3' . . . . . . . . . rr_1x2s 1 . 1 . 385 . 2 1 1 DG C4 C 10.633 12.917 7.543 . . . 1.0 . . . . . . . . . . . . B . 13 DG C4 . . . . . . . . . rr_1x2s 1 . 1 . 386 . 2 1 1 DG C4' C 8.628 17.171 7.981 . . . 1.0 . . . . . . . . . . . . B . 13 DG C4' . . . . . . . . . rr_1x2s 1 . 1 . 387 . 2 1 1 DG C5 C 10.673 11.893 8.455 . . . 1.0 . . . . . . . . . . . . B . 13 DG C5 . . . . . . . . . rr_1x2s 1 . 1 . 388 . 2 1 1 DG C5' C 8.093 17.638 9.299 . . . 1.0 . . . . . . . . . . . . B . 13 DG C5' . . . . . . . . . rr_1x2s 1 . 1 . 389 . 2 1 1 DG C6 C 11.595 10.837 8.254 . . . 1.0 . . . . . . . . . . . . B . 13 DG C6 . . . . . . . . . rr_1x2s 1 . 1 . 390 . 2 1 1 DG C8 C 9.172 13.221 9.150 . . . 1.0 . . . . . . . . . . . . B . 13 DG C8 . . . . . . . . . rr_1x2s 1 . 1 . 391 . 2 1 1 DG H1 H 13.030 10.321 6.876 . . . 1.0 . . . . . . . . . . . . B . 13 DG H1 . . . . . . . . . rr_1x2s 1 . 1 . 392 . 2 1 1 DG H1' H 9.832 15.166 6.469 . . . 1.0 . . . . . . . . . . . . B . 13 DG H1' . . . . . . . . . rr_1x2s 1 . 1 . 393 . 2 1 1 DG H2' H 7.167 14.674 7.867 . . . 1.0 . . . . . . . . . . . . B . 13 DG H2' . . . . . . . . . rr_1x2s 1 . 1 . 394 . 2 1 1 DG H2'' H 7.530 14.651 6.141 . . . 1.0 . . . . . . . . . . . . B . 13 DG H2'' . . . . . . . . . rr_1x2s 1 . 1 . 395 . 2 1 1 DG H21 H 13.689 11.338 5.053 . . . 1.0 . . . . . . . . . . . . B . 13 DG H21 . . . . . . . . . rr_1x2s 1 . 1 . 396 . 2 1 1 DG H22 H 12.994 12.849 4.532 . . . 1.0 . . . . . . . . . . . . B . 13 DG H22 . . . . . . . . . rr_1x2s 1 . 1 . 397 . 2 1 1 DG H3' H 6.586 16.919 7.305 . . . 1.0 . . . . . . . . . . . . B . 13 DG H3' . . . . . . . . . rr_1x2s 1 . 1 . 398 . 2 1 1 DG H4' H 9.094 18.027 7.492 . . . 1.0 . . . . . . . . . . . . B . 13 DG H4' . . . . . . . . . rr_1x2s 1 . 1 . 399 . 2 1 1 DG H5' H 8.919 17.952 9.925 . . . 1.0 . . . . . . . . . . . . B . 13 DG H5' . . . . . . . . . rr_1x2s 1 . 1 . 400 . 2 1 1 DG H5'' H 7.447 18.488 9.130 . . . 1.0 . . . . . . . . . . . . B . 13 DG H5'' . . . . . . . . . rr_1x2s 1 . 1 . 401 . 2 1 1 DG H8 H 8.396 13.678 9.741 . . . 1.0 . . . . . . . . . . . . B . 13 DG H8 . . . . . . . . . rr_1x2s 1 . 1 . 402 . 2 1 1 DG HO5' H 7.504 16.245 10.190 . . . 1.0 . . . . . . . . . . . . B . 13 DG HO5' . . . . . . . . . rr_1x2s 1 . 1 . 403 . 2 1 1 DG N1 N 12.345 11.024 7.103 . . . 1.0 . . . . . . . . . . . . B . 13 DG N1 . . . . . . . . . rr_1x2s 1 . 1 . 404 . 2 1 1 DG N2 N 13.036 12.093 5.192 . . . 1.0 . . . . . . . . . . . . B . 13 DG N2 . . . . . . . . . rr_1x2s 1 . 1 . 405 . 2 1 1 DG N3 N 11.372 13.080 6.431 . . . 1.0 . . . . . . . . . . . . B . 13 DG N3 . . . . . . . . . rr_1x2s 1 . 1 . 406 . 2 1 1 DG N7 N 9.746 12.097 9.463 . . . 1.0 . . . . . . . . . . . . B . 13 DG N7 . . . . . . . . . rr_1x2s 1 . 1 . 407 . 2 1 1 DG N9 N 9.661 13.771 7.997 . . . 1.0 . . . . . . . . . . . . B . 13 DG N9 . . . . . . . . . rr_1x2s 1 . 1 . 408 . 2 1 1 DG O3' O 7.815 17.130 5.714 . . . 1.0 . . . . . . . . . . . . B . 13 DG O3' . . . . . . . . . rr_1x2s 1 . 1 . 409 . 2 1 1 DG O4' O 9.544 16.079 8.226 . . . 1.0 . . . . . . . . . . . . B . 13 DG O4' . . . . . . . . . rr_1x2s 1 . 1 . 410 . 2 1 1 DG O5' O 7.365 16.593 9.947 . . . 1.0 . . . . . . . . . . . . B . 13 DG O5' . . . . . . . . . rr_1x2s 1 . 1 . 411 . 2 1 1 DG O6 O 11.782 9.839 8.950 . . . 1.0 . . . . . . . . . . . . B . 13 DG O6 . . . . . . . . . rr_1x2s 1 . 1 . 412 . 2 1 2 DA C1' C 9.832 12.337 3.106 . . . 1.0 . . . . . . . . . . . . B . 14 DA C1' . . . . . . . . . rr_1x2s 1 . 1 . 413 . 2 1 2 DA C2 C 11.735 8.584 4.214 . . . 1.0 . . . . . . . . . . . . B . 14 DA C2 . . . . . . . . . rr_1x2s 1 . 1 . 414 . 2 1 2 DA C2' C 8.586 12.654 2.314 . . . 1.0 . . . . . . . . . . . . B . 14 DA C2' . . . . . . . . . rr_1x2s 1 . 1 . 415 . 2 1 2 DA C3' C 8.946 13.987 1.687 . . . 1.0 . . . . . . . . . . . . B . 14 DA C3' . . . . . . . . . rr_1x2s 1 . 1 . 416 . 2 1 2 DA C4 C 10.327 10.256 4.451 . . . 1.0 . . . . . . . . . . . . B . 14 DA C4 . . . . . . . . . rr_1x2s 1 . 1 . 417 . 2 1 2 DA C4' C 9.884 14.635 2.701 . . . 1.0 . . . . . . . . . . . . B . 14 DA C4' . . . . . . . . . rr_1x2s 1 . 1 . 418 . 2 1 2 DA C5 C 9.818 9.736 5.624 . . . 1.0 . . . . . . . . . . . . B . 14 DA C5 . . . . . . . . . rr_1x2s 1 . 1 . 419 . 2 1 2 DA C5' C 9.282 15.745 3.525 . . . 1.0 . . . . . . . . . . . . B . 14 DA C5' . . . . . . . . . rr_1x2s 1 . 1 . 420 . 2 1 2 DA C6 C 10.367 8.526 6.076 . . . 1.0 . . . . . . . . . . . . B . 14 DA C6 . . . . . . . . . rr_1x2s 1 . 1 . 421 . 2 1 2 DA C8 C 8.755 11.541 5.272 . . . 1.0 . . . . . . . . . . . . B . 14 DA C8 . . . . . . . . . rr_1x2s 1 . 1 . 422 . 2 1 2 DA H1' H 10.620 11.938 2.466 . . . 1.0 . . . . . . . . . . . . B . 14 DA H1' . . . . . . . . . rr_1x2s 1 . 1 . 423 . 2 1 2 DA H2 H 12.522 8.083 3.654 . . . 1.0 . . . . . . . . . . . . B . 14 DA H2 . . . . . . . . . rr_1x2s 1 . 1 . 424 . 2 1 2 DA H2' H 7.704 12.738 2.947 . . . 1.0 . . . . . . . . . . . . B . 14 DA H2' . . . . . . . . . rr_1x2s 1 . 1 . 425 . 2 1 2 DA H2'' H 8.408 11.893 1.557 . . . 1.0 . . . . . . . . . . . . B . 14 DA H2'' . . . . . . . . . rr_1x2s 1 . 1 . 426 . 2 1 2 DA H3' H 8.068 14.604 1.497 . . . 1.0 . . . . . . . . . . . . B . 14 DA H3' . . . . . . . . . rr_1x2s 1 . 1 . 427 . 2 1 2 DA H4' H 10.710 15.063 2.132 . . . 1.0 . . . . . . . . . . . . B . 14 DA H4' . . . . . . . . . rr_1x2s 1 . 1 . 428 . 2 1 2 DA H5' H 9.866 15.875 4.433 . . . 1.0 . . . . . . . . . . . . B . 14 DA H5' . . . . . . . . . rr_1x2s 1 . 1 . 429 . 2 1 2 DA H5'' H 9.317 16.669 2.954 . . . 1.0 . . . . . . . . . . . . B . 14 DA H5'' . . . . . . . . . rr_1x2s 1 . 1 . 430 . 2 1 2 DA H61 H 10.417 7.040 7.464 . . . 1.0 . . . . . . . . . . . . B . 14 DA H61 . . . . . . . . . rr_1x2s 1 . 1 . 431 . 2 1 2 DA H62 H 9.253 8.310 7.765 . . . 1.0 . . . . . . . . . . . . B . 14 DA H62 . . . . . . . . . rr_1x2s 1 . 1 . 432 . 2 1 2 DA H8 H 8.066 12.365 5.372 . . . 1.0 . . . . . . . . . . . . B . 14 DA H8 . . . . . . . . . rr_1x2s 1 . 1 . 433 . 2 1 2 DA N1 N 11.344 7.964 5.332 . . . 1.0 . . . . . . . . . . . . B . 14 DA N1 . . . . . . . . . rr_1x2s 1 . 1 . 434 . 2 1 2 DA N3 N 11.297 9.724 3.688 . . . 1.0 . . . . . . . . . . . . B . 14 DA N3 . . . . . . . . . rr_1x2s 1 . 1 . 435 . 2 1 2 DA N6 N 9.980 7.908 7.192 . . . 1.0 . . . . . . . . . . . . B . 14 DA N6 . . . . . . . . . rr_1x2s 1 . 1 . 436 . 2 1 2 DA N7 N 8.824 10.558 6.134 . . . 1.0 . . . . . . . . . . . . B . 14 DA N7 . . . . . . . . . rr_1x2s 1 . 1 . 437 . 2 1 2 DA N9 N 9.639 11.424 4.230 . . . 1.0 . . . . . . . . . . . . B . 14 DA N9 . . . . . . . . . rr_1x2s 1 . 1 . 438 . 2 1 2 DA O3' O 9.610 13.819 0.437 . . . 1.0 . . . . . . . . . . . . B . 14 DA O3' . . . . . . . . . rr_1x2s 1 . 1 . 439 . 2 1 2 DA O4' O 10.293 13.571 3.601 . . . 1.0 . . . . . . . . . . . . B . 14 DA O4' . . . . . . . . . rr_1x2s 1 . 1 . 440 . 2 1 2 DA O5' O 7.937 15.434 3.860 . . . 1.0 . . . . . . . . . . . . B . 14 DA O5' . . . . . . . . . rr_1x2s 1 . 1 . 441 . 2 1 2 DA OP1 O 6.827 17.627 3.475 . . . 1.0 . . . . . . . . . . . . B . 14 DA OP1 . . . . . . . . . rr_1x2s 1 . 1 . 442 . 2 1 2 DA OP2 O 5.773 15.865 5.007 . . . 1.0 . . . . . . . . . . . . B . 14 DA OP2 . . . . . . . . . rr_1x2s 1 . 1 . 443 . 2 1 2 DA P P 6.979 16.544 4.473 . . . 1.0 . . . . . . . . . . . . B . 14 DA P . . . . . . . . . rr_1x2s 1 . 1 . 444 . 2 1 3 DC C1' C 10.433 8.203 0.018 . . . 1.0 . . . . . . . . . . . . B . 15 DC C1' . . . . . . . . . rr_1x2s 1 . 1 . 445 . 2 1 3 DC C2 C 9.900 6.883 2.037 . . . 1.0 . . . . . . . . . . . . B . 15 DC C2 . . . . . . . . . rr_1x2s 1 . 1 . 446 . 2 1 3 DC C2' C 9.614 8.447 -1.230 . . . 1.0 . . . . . . . . . . . . B . 15 DC C2' . . . . . . . . . rr_1x2s 1 . 1 . 447 . 2 1 3 DC C3' C 10.566 9.258 -2.090 . . . 1.0 . . . . . . . . . . . . B . 15 DC C3' . . . . . . . . . rr_1x2s 1 . 1 . 448 . 2 1 3 DC C4 C 8.250 7.581 3.520 . . . 1.0 . . . . . . . . . . . . B . 15 DC C4 . . . . . . . . . rr_1x2s 1 . 1 . 449 . 2 1 3 DC C4' C 11.409 10.030 -1.082 . . . 1.0 . . . . . . . . . . . . B . 15 DC C4' . . . . . . . . . rr_1x2s 1 . 1 . 450 . 2 1 3 DC C5 C 7.972 8.734 2.734 . . . 1.0 . . . . . . . . . . . . B . 15 DC C5 . . . . . . . . . rr_1x2s 1 . 1 . 451 . 2 1 3 DC C5' C 11.019 11.473 -0.882 . . . 1.0 . . . . . . . . . . . . B . 15 DC C5' . . . . . . . . . rr_1x2s 1 . 1 . 452 . 2 1 3 DC C6 C 8.687 8.906 1.615 . . . 1.0 . . . . . . . . . . . . B . 15 DC C6 . . . . . . . . . rr_1x2s 1 . 1 . 453 . 2 1 3 DC H1' H 11.095 7.347 -0.106 . . . 1.0 . . . . . . . . . . . . B . 15 DC H1' . . . . . . . . . rr_1x2s 1 . 1 . 454 . 2 1 3 DC H2' H 8.700 9.000 -1.021 . . . 1.0 . . . . . . . . . . . . B . 15 DC H2' . . . . . . . . . rr_1x2s 1 . 1 . 455 . 2 1 3 DC H2'' H 9.357 7.501 -1.702 . . . 1.0 . . . . . . . . . . . . B . 15 DC H2'' . . . . . . . . . rr_1x2s 1 . 1 . 456 . 2 1 3 DC H3' H 10.039 9.927 -2.770 . . . 1.0 . . . . . . . . . . . . B . 15 DC H3' . . . . . . . . . rr_1x2s 1 . 1 . 457 . 2 1 3 DC H4' H 12.432 10.021 -1.458 . . . 1.0 . . . . . . . . . . . . B . 15 DC H4' . . . . . . . . . rr_1x2s 1 . 1 . 458 . 2 1 3 DC H41 H 7.766 6.538 5.200 . . . 1.0 . . . . . . . . . . . . B . 15 DC H41 . . . . . . . . . rr_1x2s 1 . 1 . 459 . 2 1 3 DC H42 H 6.855 8.005 4.940 . . . 1.0 . . . . . . . . . . . . B . 15 DC H42 . . . . . . . . . rr_1x2s 1 . 1 . 460 . 2 1 3 DC H5 H 7.205 9.448 3.030 . . . 1.0 . . . . . . . . . . . . B . 15 DC H5 . . . . . . . . . rr_1x2s 1 . 1 . 461 . 2 1 3 DC H5' H 11.532 11.867 -0.008 . . . 1.0 . . . . . . . . . . . . B . 15 DC H5' . . . . . . . . . rr_1x2s 1 . 1 . 462 . 2 1 3 DC H5'' H 11.324 12.044 -1.753 . . . 1.0 . . . . . . . . . . . . B . 15 DC H5'' . . . . . . . . . rr_1x2s 1 . 1 . 463 . 2 1 3 DC H6 H 8.495 9.774 0.987 . . . 1.0 . . . . . . . . . . . . B . 15 DC H6 . . . . . . . . . rr_1x2s 1 . 1 . 464 . 2 1 3 DC N1 N 9.648 8.007 1.247 . . . 1.0 . . . . . . . . . . . . B . 15 DC N1 . . . . . . . . . rr_1x2s 1 . 1 . 465 . 2 1 3 DC N3 N 9.185 6.697 3.169 . . . 1.0 . . . . . . . . . . . . B . 15 DC N3 . . . . . . . . . rr_1x2s 1 . 1 . 466 . 2 1 3 DC N4 N 7.569 7.356 4.645 . . . 1.0 . . . . . . . . . . . . B . 15 DC N4 . . . . . . . . . rr_1x2s 1 . 1 . 467 . 2 1 3 DC O2 O 10.776 6.083 1.679 . . . 1.0 . . . . . . . . . . . . B . 15 DC O2 . . . . . . . . . rr_1x2s 1 . 1 . 468 . 2 1 3 DC O3' O 11.400 8.427 -2.896 . . . 1.0 . . . . . . . . . . . . B . 15 DC O3' . . . . . . . . . rr_1x2s 1 . 1 . 469 . 2 1 3 DC O4' O 11.254 9.338 0.186 . . . 1.0 . . . . . . . . . . . . B . 15 DC O4' . . . . . . . . . rr_1x2s 1 . 1 . 470 . 2 1 3 DC O5' O 9.614 11.580 -0.703 . . . 1.0 . . . . . . . . . . . . B . 15 DC O5' . . . . . . . . . rr_1x2s 1 . 1 . 471 . 2 1 3 DC OP1 O 9.267 13.657 -2.018 . . . 1.0 . . . . . . . . . . . . B . 15 DC OP1 . . . . . . . . . rr_1x2s 1 . 1 . 472 . 2 1 3 DC OP2 O 7.466 12.804 -0.409 . . . 1.0 . . . . . . . . . . . . B . 15 DC OP2 . . . . . . . . . rr_1x2s 1 . 1 . 473 . 2 1 3 DC P P 8.898 12.996 -0.745 . . . 1.0 . . . . . . . . . . . . B . 15 DC P . . . . . . . . . rr_1x2s 1 . 1 . 474 . 2 1 4 DT C1' C 10.286 3.163 -0.767 . . . 1.0 . . . . . . . . . . . . B . 16 DT C1' . . . . . . . . . rr_1x2s 1 . 1 . 475 . 2 1 4 DT C2 C 8.936 2.867 1.253 . . . 1.0 . . . . . . . . . . . . B . 16 DT C2 . . . . . . . . . rr_1x2s 1 . 1 . 476 . 2 1 4 DT C2' C 9.869 3.014 -2.215 . . . 1.0 . . . . . . . . . . . . B . 16 DT C2' . . . . . . . . . rr_1x2s 1 . 1 . 477 . 2 1 4 DT C3' C 11.187 3.184 -2.948 . . . 1.0 . . . . . . . . . . . . B . 16 DT C3' . . . . . . . . . rr_1x2s 1 . 1 . 478 . 2 1 4 DT C4 C 7.217 4.524 1.851 . . . 1.0 . . . . . . . . . . . . B . 16 DT C4 . . . . . . . . . rr_1x2s 1 . 1 . 479 . 2 1 4 DT C4' C 11.998 4.114 -2.050 . . . 1.0 . . . . . . . . . . . . B . 16 DT C4' . . . . . . . . . rr_1x2s 1 . 1 . 480 . 2 1 4 DT C5 C 7.564 5.271 0.664 . . . 1.0 . . . . . . . . . . . . B . 16 DT C5 . . . . . . . . . rr_1x2s 1 . 1 . 481 . 2 1 4 DT C5' C 12.096 5.545 -2.520 . . . 1.0 . . . . . . . . . . . . B . 16 DT C5' . . . . . . . . . rr_1x2s 1 . 1 . 482 . 2 1 4 DT C6 C 8.538 4.795 -0.124 . . . 1.0 . . . . . . . . . . . . B . 16 DT C6 . . . . . . . . . rr_1x2s 1 . 1 . 483 . 2 1 4 DT C7 C 6.817 6.531 0.359 . . . 1.0 . . . . . . . . . . . . B . 16 DT C7 . . . . . . . . . rr_1x2s 1 . 1 . 484 . 2 1 4 DT H1' H 10.692 2.230 -0.375 . . . 1.0 . . . . . . . . . . . . B . 16 DT H1' . . . . . . . . . rr_1x2s 1 . 1 . 485 . 2 1 4 DT H2' H 9.147 3.772 -2.516 . . . 1.0 . . . . . . . . . . . . B . 16 DT H2' . . . . . . . . . rr_1x2s 1 . 1 . 486 . 2 1 4 DT H2'' H 9.441 2.027 -2.386 . . . 1.0 . . . . . . . . . . . . B . 16 DT H2'' . . . . . . . . . rr_1x2s 1 . 1 . 487 . 2 1 4 DT H3 H 7.713 2.832 2.872 . . . 1.0 . . . . . . . . . . . . B . 16 DT H3 . . . . . . . . . rr_1x2s 1 . 1 . 488 . 2 1 4 DT H3' H 11.053 3.604 -3.947 . . . 1.0 . . . . . . . . . . . . B . 16 DT H3' . . . . . . . . . rr_1x2s 1 . 1 . 489 . 2 1 4 DT H4' H 13.011 3.712 -2.019 . . . 1.0 . . . . . . . . . . . . B . 16 DT H4' . . . . . . . . . rr_1x2s 1 . 1 . 490 . 2 1 4 DT H5' H 12.375 6.181 -1.680 . . . 1.0 . . . . . . . . . . . . B . 16 DT H5' . . . . . . . . . rr_1x2s 1 . 1 . 491 . 2 1 4 DT H5'' H 12.867 5.613 -3.284 . . . 1.0 . . . . . . . . . . . . B . 16 DT H5'' . . . . . . . . . rr_1x2s 1 . 1 . 492 . 2 1 4 DT H6 H 8.802 5.357 -1.019 . . . 1.0 . . . . . . . . . . . . B . 16 DT H6 . . . . . . . . . rr_1x2s 1 . 1 . 493 . 2 1 4 DT H71 H 6.358 6.619 0.070 . . . 1.0 . . . . . . . . . . . . B . 16 DT H71 . . . . . . . . . rr_1x2s 1 . 1 . 494 . 2 1 4 DT H72 H 6.968 6.993 0.097 . . . 1.0 . . . . . . . . . . . . B . 16 DT H72 . . . . . . . . . rr_1x2s 1 . 1 . 495 . 2 1 4 DT H73 H 6.579 6.899 0.690 . . . 1.0 . . . . . . . . . . . . B . 16 DT H73 . . . . . . . . . rr_1x2s 1 . 1 . 496 . 2 1 4 DT N1 N 9.221 3.628 0.143 . . . 1.0 . . . . . . . . . . . . B . 16 DT N1 . . . . . . . . . rr_1x2s 1 . 1 . 497 . 2 1 4 DT N3 N 7.941 3.368 2.049 . . . 1.0 . . . . . . . . . . . . B . 16 DT N3 . . . . . . . . . rr_1x2s 1 . 1 . 498 . 2 1 4 DT O2 O 9.517 1.827 1.516 . . . 1.0 . . . . . . . . . . . . B . 16 DT O2 . . . . . . . . . rr_1x2s 1 . 1 . 499 . 2 1 4 DT O3' O 11.858 1.936 -3.114 . . . 1.0 . . . . . . . . . . . . B . 16 DT O3' . . . . . . . . . rr_1x2s 1 . 1 . 500 . 2 1 4 DT O4 O 6.356 4.853 2.661 . . . 1.0 . . . . . . . . . . . . B . 16 DT O4 . . . . . . . . . rr_1x2s 1 . 1 . 501 . 2 1 4 DT O4' O 11.333 4.106 -0.756 . . . 1.0 . . . . . . . . . . . . B . 16 DT O4' . . . . . . . . . rr_1x2s 1 . 1 . 502 . 2 1 4 DT O5' O 10.848 5.976 -3.054 . . . 1.0 . . . . . . . . . . . . B . 16 DT O5' . . . . . . . . . rr_1x2s 1 . 1 . 503 . 2 1 4 DT OP1 O 11.623 7.224 -5.063 . . . 1.0 . . . . . . . . . . . . B . 16 DT OP1 . . . . . . . . . rr_1x2s 1 . 1 . 504 . 2 1 4 DT OP2 O 9.303 7.657 -4.061 . . . 1.0 . . . . . . . . . . . . B . 16 DT OP2 . . . . . . . . . rr_1x2s 1 . 1 . 505 . 2 1 4 DT P P 10.740 7.335 -3.876 . . . 1.0 . . . . . . . . . . . . B . 16 DT P . . . . . . . . . rr_1x2s 1 . 1 . 506 . 2 1 5 DG C1' C 8.570 -1.792 -0.032 . . . 1.0 . . . . . . . . . . . . B . 17 DG C1' . . . . . . . . . rr_1x2s 1 . 1 . 507 . 2 1 5 DG C2 C 5.916 -1.692 3.392 . . . 1.0 . . . . . . . . . . . . B . 17 DG C2 . . . . . . . . . rr_1x2s 1 . 1 . 508 . 2 1 5 DG C2' C 8.448 -2.279 -1.455 . . . 1.0 . . . . . . . . . . . . B . 17 DG C2' . . . . . . . . . rr_1x2s 1 . 1 . 509 . 2 1 5 DG C3' C 9.874 -2.682 -1.781 . . . 1.0 . . . . . . . . . . . . B . 17 DG C3' . . . . . . . . . rr_1x2s 1 . 1 . 510 . 2 1 5 DG C4 C 6.767 -0.908 1.506 . . . 1.0 . . . . . . . . . . . . B . 17 DG C4 . . . . . . . . . rr_1x2s 1 . 1 . 511 . 2 1 5 DG C4' C 10.729 -1.743 -0.934 . . . 1.0 . . . . . . . . . . . . B . 17 DG C4' . . . . . . . . . rr_1x2s 1 . 1 . 512 . 2 1 5 DG C5 C 5.975 0.220 1.475 . . . 1.0 . . . . . . . . . . . . B . 17 DG C5 . . . . . . . . . rr_1x2s 1 . 1 . 513 . 2 1 5 DG C5' C 11.380 -0.603 -1.682 . . . 1.0 . . . . . . . . . . . . B . 17 DG C5' . . . . . . . . . rr_1x2s 1 . 1 . 514 . 2 1 5 DG C6 C 5.042 0.427 2.520 . . . 1.0 . . . . . . . . . . . . B . 17 DG C6 . . . . . . . . . rr_1x2s 1 . 1 . 515 . 2 1 5 DG C8 C 7.195 0.328 -0.262 . . . 1.0 . . . . . . . . . . . . B . 17 DG C8 . . . . . . . . . rr_1x2s 1 . 1 . 516 . 2 1 5 DG H1 H 4.451 -0.542 4.239 . . . 1.0 . . . . . . . . . . . . B . 17 DG H1 . . . . . . . . . rr_1x2s 1 . 1 . 517 . 2 1 5 DG H1' H 8.560 -2.624 0.669 . . . 1.0 . . . . . . . . . . . . B . 17 DG H1' . . . . . . . . . rr_1x2s 1 . 1 . 518 . 2 1 5 DG H2' H 8.093 -1.501 -2.125 . . . 1.0 . . . . . . . . . . . . B . 17 DG H2' . . . . . . . . . rr_1x2s 1 . 1 . 519 . 2 1 5 DG H2'' H 7.770 -3.130 -1.505 . . . 1.0 . . . . . . . . . . . . B . 17 DG H2'' . . . . . . . . . rr_1x2s 1 . 1 . 520 . 2 1 5 DG H21 H 5.138 -2.429 5.130 . . . 1.0 . . . . . . . . . . . . B . 17 DG H21 . . . . . . . . . rr_1x2s 1 . 1 . 521 . 2 1 5 DG H22 H 6.390 -3.404 4.398 . . . 1.0 . . . . . . . . . . . . B . 17 DG H22 . . . . . . . . . rr_1x2s 1 . 1 . 522 . 2 1 5 DG H3' H 10.100 -2.582 -2.845 . . . 1.0 . . . . . . . . . . . . B . 17 DG H3' . . . . . . . . . rr_1x2s 1 . 1 . 523 . 2 1 5 DG H4' H 11.528 -2.350 -0.508 . . . 1.0 . . . . . . . . . . . . B . 17 DG H4' . . . . . . . . . rr_1x2s 1 . 1 . 524 . 2 1 5 DG H5' H 11.521 0.237 -1.003 . . . 1.0 . . . . . . . . . . . . B . 17 DG H5' . . . . . . . . . rr_1x2s 1 . 1 . 525 . 2 1 5 DG H5'' H 12.352 -0.928 -2.045 . . . 1.0 . . . . . . . . . . . . B . 17 DG H5'' . . . . . . . . . rr_1x2s 1 . 1 . 526 . 2 1 5 DG H8 H 7.637 0.653 -1.190 . . . 1.0 . . . . . . . . . . . . B . 17 DG H8 . . . . . . . . . rr_1x2s 1 . 1 . 527 . 2 1 5 DG N1 N 5.083 -0.602 3.455 . . . 1.0 . . . . . . . . . . . . B . 17 DG N1 . . . . . . . . . rr_1x2s 1 . 1 . 528 . 2 1 5 DG N2 N 5.805 -2.581 4.389 . . . 1.0 . . . . . . . . . . . . B . 17 DG N2 . . . . . . . . . rr_1x2s 1 . 1 . 529 . 2 1 5 DG N3 N 6.791 -1.896 2.424 . . . 1.0 . . . . . . . . . . . . B . 17 DG N3 . . . . . . . . . rr_1x2s 1 . 1 . 530 . 2 1 5 DG N7 N 6.257 0.990 0.355 . . . 1.0 . . . . . . . . . . . . B . 17 DG N7 . . . . . . . . . rr_1x2s 1 . 1 . 531 . 2 1 5 DG N9 N 7.555 -0.830 0.383 . . . 1.0 . . . . . . . . . . . . B . 17 DG N9 . . . . . . . . . rr_1x2s 1 . 1 . 532 . 2 1 5 DG O3' O 10.137 -4.040 -1.431 . . . 1.0 . . . . . . . . . . . . B . 17 DG O3' . . . . . . . . . rr_1x2s 1 . 1 . 533 . 2 1 5 DG O4' O 9.836 -1.181 0.067 . . . 1.0 . . . . . . . . . . . . B . 17 DG O4' . . . . . . . . . rr_1x2s 1 . 1 . 534 . 2 1 5 DG O5' O 10.566 -0.203 -2.778 . . . 1.0 . . . . . . . . . . . . B . 17 DG O5' . . . . . . . . . rr_1x2s 1 . 1 . 535 . 2 1 5 DG O6 O 4.252 1.365 2.671 . . . 1.0 . . . . . . . . . . . . B . 17 DG O6 . . . . . . . . . rr_1x2s 1 . 1 . 536 . 2 1 5 DG OP1 O 12.211 -0.004 -4.635 . . . 1.0 . . . . . . . . . . . . B . 17 DG OP1 . . . . . . . . . rr_1x2s 1 . 1 . 537 . 2 1 5 DG OP2 O 10.001 1.297 -4.689 . . . 1.0 . . . . . . . . . . . . B . 17 DG OP2 . . . . . . . . . rr_1x2s 1 . 1 . 538 . 2 1 5 DG P P 11.144 0.742 -3.922 . . . 1.0 . . . . . . . . . . . . B . 17 DG P . . . . . . . . . rr_1x2s 1 . 1 . 539 . 2 1 6 DT C1' C 5.339 -5.342 1.520 . . . 1.0 . . . . . . . . . . . . B . 18 DT C1' . . . . . . . . . rr_1x2s 1 . 1 . 540 . 2 1 6 DT C2 C 3.661 -3.638 2.033 . . . 1.0 . . . . . . . . . . . . B . 18 DT C2 . . . . . . . . . rr_1x2s 1 . 1 . 541 . 2 1 6 DT C2' C 5.318 -6.391 0.434 . . . 1.0 . . . . . . . . . . . . B . 18 DT C2' . . . . . . . . . rr_1x2s 1 . 1 . 542 . 2 1 6 DT C3' C 6.544 -7.221 0.769 . . . 1.0 . . . . . . . . . . . . B . 18 DT C3' . . . . . . . . . rr_1x2s 1 . 1 . 543 . 2 1 6 DT C4 C 3.373 -1.694 0.549 . . . 1.0 . . . . . . . . . . . . B . 18 DT C4 . . . . . . . . . rr_1x2s 1 . 1 . 544 . 2 1 6 DT C4' C 7.503 -6.222 1.411 . . . 1.0 . . . . . . . . . . . . B . 18 DT C4' . . . . . . . . . rr_1x2s 1 . 1 . 545 . 2 1 6 DT C5 C 4.417 -2.219 -0.298 . . . 1.0 . . . . . . . . . . . . B . 18 DT C5 . . . . . . . . . rr_1x2s 1 . 1 . 546 . 2 1 6 DT C5' C 8.639 -5.756 0.533 . . . 1.0 . . . . . . . . . . . . B . 18 DT C5' . . . . . . . . . rr_1x2s 1 . 1 . 547 . 2 1 6 DT C6 C 4.999 -3.373 0.053 . . . 1.0 . . . . . . . . . . . . B . 18 DT C6 . . . . . . . . . rr_1x2s 1 . 1 . 548 . 2 1 6 DT C7 C 4.800 -1.459 -1.529 . . . 1.0 . . . . . . . . . . . . B . 18 DT C7 . . . . . . . . . rr_1x2s 1 . 1 . 549 . 2 1 6 DT H1' H 4.919 -5.729 2.446 . . . 1.0 . . . . . . . . . . . . B . 18 DT H1' . . . . . . . . . rr_1x2s 1 . 1 . 550 . 2 1 6 DT H2' H 5.395 -5.956 -0.558 . . . 1.0 . . . . . . . . . . . . B . 18 DT H2' . . . . . . . . . rr_1x2s 1 . 1 . 551 . 2 1 6 DT H2'' H 4.407 -6.985 0.495 . . . 1.0 . . . . . . . . . . . . B . 18 DT H2'' . . . . . . . . . rr_1x2s 1 . 1 . 552 . 2 1 6 DT H3 H 2.346 -2.112 2.262 . . . 1.0 . . . . . . . . . . . . B . 18 DT H3 . . . . . . . . . rr_1x2s 1 . 1 . 553 . 2 1 6 DT H3' H 6.981 -7.689 -0.114 . . . 1.0 . . . . . . . . . . . . B . 18 DT H3' . . . . . . . . . rr_1x2s 1 . 1 . 554 . 2 1 6 DT H4' H 7.943 -6.725 2.273 . . . 1.0 . . . . . . . . . . . . B . 18 DT H4' . . . . . . . . . rr_1x2s 1 . 1 . 555 . 2 1 6 DT H5' H 9.089 -4.865 0.970 . . . 1.0 . . . . . . . . . . . . B . 18 DT H5' . . . . . . . . . rr_1x2s 1 . 1 . 556 . 2 1 6 DT H5'' H 9.390 -6.541 0.481 . . . 1.0 . . . . . . . . . . . . B . 18 DT H5'' . . . . . . . . . rr_1x2s 1 . 1 . 557 . 2 1 6 DT H6 H 5.777 -3.777 -0.591 . . . 1.0 . . . . . . . . . . . . B . 18 DT H6 . . . . . . . . . rr_1x2s 1 . 1 . 558 . 2 1 6 DT H71 H 4.853 -1.564 -2.013 . . . 1.0 . . . . . . . . . . . . B . 18 DT H71 . . . . . . . . . rr_1x2s 1 . 1 . 559 . 2 1 6 DT H72 H 5.201 -1.196 -1.693 . . . 1.0 . . . . . . . . . . . . B . 18 DT H72 . . . . . . . . . rr_1x2s 1 . 1 . 560 . 2 1 6 DT H73 H 4.624 -1.062 -1.781 . . . 1.0 . . . . . . . . . . . . B . 18 DT H73 . . . . . . . . . rr_1x2s 1 . 1 . 561 . 2 1 6 DT N1 N 4.651 -4.081 1.186 . . . 1.0 . . . . . . . . . . . . B . 18 DT N1 . . . . . . . . . rr_1x2s 1 . 1 . 562 . 2 1 6 DT N3 N 3.076 -2.458 1.659 . . . 1.0 . . . . . . . . . . . . B . 18 DT N3 . . . . . . . . . rr_1x2s 1 . 1 . 563 . 2 1 6 DT O2 O 3.324 -4.241 3.039 . . . 1.0 . . . . . . . . . . . . B . 18 DT O2 . . . . . . . . . rr_1x2s 1 . 1 . 564 . 2 1 6 DT O3' O 6.233 -8.273 1.682 . . . 1.0 . . . . . . . . . . . . B . 18 DT O3' . . . . . . . . . rr_1x2s 1 . 1 . 565 . 2 1 6 DT O4 O 2.764 -0.649 0.346 . . . 1.0 . . . . . . . . . . . . B . 18 DT O4 . . . . . . . . . rr_1x2s 1 . 1 . 566 . 2 1 6 DT O4' O 6.698 -5.064 1.766 . . . 1.0 . . . . . . . . . . . . B . 18 DT O4' . . . . . . . . . rr_1x2s 1 . 1 . 567 . 2 1 6 DT O5' O 8.163 -5.458 -0.775 . . . 1.0 . . . . . . . . . . . . B . 18 DT O5' . . . . . . . . . rr_1x2s 1 . 1 . 568 . 2 1 6 DT OP1 O 10.015 -6.428 -2.124 . . . 1.0 . . . . . . . . . . . . B . 18 DT OP1 . . . . . . . . . rr_1x2s 1 . 1 . 569 . 2 1 6 DT OP2 O 8.413 -4.704 -3.142 . . . 1.0 . . . . . . . . . . . . B . 18 DT OP2 . . . . . . . . . rr_1x2s 1 . 1 . 570 . 2 1 6 DT P P 9.179 -5.212 -1.976 . . . 1.0 . . . . . . . . . . . . B . 18 DT P . . . . . . . . . rr_1x2s 1 . 1 . 571 . 2 1 7 DA C1' C 0.697 -7.070 3.167 . . . 1.0 . . . . . . . . . . . . B . 19 DA C1' . . . . . . . . . rr_1x2s 1 . 1 . 572 . 2 1 7 DA C2 C -2.002 -3.652 3.311 . . . 1.0 . . . . . . . . . . . . B . 19 DA C2 . . . . . . . . . rr_1x2s 1 . 1 . 573 . 2 1 7 DA C2' C 0.598 -8.420 2.494 . . . 1.0 . . . . . . . . . . . . B . 19 DA C2' . . . . . . . . . rr_1x2s 1 . 1 . 574 . 2 1 7 DA C3' C 1.426 -9.297 3.416 . . . 1.0 . . . . . . . . . . . . B . 19 DA C3' . . . . . . . . . rr_1x2s 1 . 1 . 575 . 2 1 7 DA C4 C -0.412 -4.907 2.460 . . . 1.0 . . . . . . . . . . . . B . 19 DA C4 . . . . . . . . . rr_1x2s 1 . 1 . 576 . 2 1 7 DA C4' C 2.471 -8.346 3.997 . . . 1.0 . . . . . . . . . . . . B . 19 DA C4' . . . . . . . . . rr_1x2s 1 . 1 . 577 . 2 1 7 DA C5 C -0.239 -4.058 1.382 . . . 1.0 . . . . . . . . . . . . B . 19 DA C5 . . . . . . . . . rr_1x2s 1 . 1 . 578 . 2 1 7 DA C5' C 3.866 -8.487 3.435 . . . 1.0 . . . . . . . . . . . . B . 19 DA C5' . . . . . . . . . rr_1x2s 1 . 1 . 579 . 2 1 7 DA C6 C -1.058 -2.920 1.330 . . . 1.0 . . . . . . . . . . . . B . 19 DA C6 . . . . . . . . . rr_1x2s 1 . 1 . 580 . 2 1 7 DA C8 C 1.152 -5.638 1.113 . . . 1.0 . . . . . . . . . . . . B . 19 DA C8 . . . . . . . . . rr_1x2s 1 . 1 . 581 . 2 1 7 DA H1' H 0.001 -6.989 4.004 . . . 1.0 . . . . . . . . . . . . B . 19 DA H1' . . . . . . . . . rr_1x2s 1 . 1 . 582 . 2 1 7 DA H2 H -2.735 -3.455 4.092 . . . 1.0 . . . . . . . . . . . . B . 19 DA H2 . . . . . . . . . rr_1x2s 1 . 1 . 583 . 2 1 7 DA H2' H 1.007 -8.409 1.485 . . . 1.0 . . . . . . . . . . . . B . 19 DA H2' . . . . . . . . . rr_1x2s 1 . 1 . 584 . 2 1 7 DA H2'' H -0.439 -8.752 2.455 . . . 1.0 . . . . . . . . . . . . B . 19 DA H2'' . . . . . . . . . rr_1x2s 1 . 1 . 585 . 2 1 7 DA H3' H 1.891 -10.131 2.887 . . . 1.0 . . . . . . . . . . . . B . 19 DA H3' . . . . . . . . . rr_1x2s 1 . 1 . 586 . 2 1 7 DA H4' H 2.527 -8.561 5.064 . . . 1.0 . . . . . . . . . . . . B . 19 DA H4' . . . . . . . . . rr_1x2s 1 . 1 . 587 . 2 1 7 DA H5' H 4.392 -7.537 3.539 . . . 1.0 . . . . . . . . . . . . B . 19 DA H5' . . . . . . . . . rr_1x2s 1 . 1 . 588 . 2 1 7 DA H5'' H 4.398 -9.249 4.001 . . . 1.0 . . . . . . . . . . . . B . 19 DA H5'' . . . . . . . . . rr_1x2s 1 . 1 . 589 . 2 1 7 DA H61 H -1.617 -1.213 0.373 . . . 1.0 . . . . . . . . . . . . B . 19 DA H61 . . . . . . . . . rr_1x2s 1 . 1 . 590 . 2 1 7 DA H62 H -0.344 -2.124 -0.403 . . . 1.0 . . . . . . . . . . . . B . 19 DA H62 . . . . . . . . . rr_1x2s 1 . 1 . 591 . 2 1 7 DA H8 H 1.923 -6.270 0.702 . . . 1.0 . . . . . . . . . . . . B . 19 DA H8 . . . . . . . . . rr_1x2s 1 . 1 . 592 . 2 1 7 DA N1 N -1.948 -2.743 2.330 . . . 1.0 . . . . . . . . . . . . B . 19 DA N1 . . . . . . . . . rr_1x2s 1 . 1 . 593 . 2 1 7 DA N3 N -1.285 -4.760 3.470 . . . 1.0 . . . . . . . . . . . . B . 19 DA N3 . . . . . . . . . rr_1x2s 1 . 1 . 594 . 2 1 7 DA N6 N -1.002 -2.013 0.354 . . . 1.0 . . . . . . . . . . . . B . 19 DA N6 . . . . . . . . . rr_1x2s 1 . 1 . 595 . 2 1 7 DA N7 N 0.753 -4.531 0.537 . . . 1.0 . . . . . . . . . . . . B . 19 DA N7 . . . . . . . . . rr_1x2s 1 . 1 . 596 . 2 1 7 DA N9 N 0.493 -5.924 2.282 . . . 1.0 . . . . . . . . . . . . B . 19 DA N9 . . . . . . . . . rr_1x2s 1 . 1 . 597 . 2 1 7 DA O3' O 0.627 -9.862 4.454 . . . 1.0 . . . . . . . . . . . . B . 19 DA O3' . . . . . . . . . rr_1x2s 1 . 1 . 598 . 2 1 7 DA O4' O 1.998 -7.002 3.703 . . . 1.0 . . . . . . . . . . . . B . 19 DA O4' . . . . . . . . . rr_1x2s 1 . 1 . 599 . 2 1 7 DA O5' O 3.811 -8.857 2.060 . . . 1.0 . . . . . . . . . . . . B . 19 DA O5' . . . . . . . . . rr_1x2s 1 . 1 . 600 . 2 1 7 DA OP1 O 5.519 -10.665 1.892 . . . 1.0 . . . . . . . . . . . . B . 19 DA OP1 . . . . . . . . . rr_1x2s 1 . 1 . 601 . 2 1 7 DA OP2 O 4.863 -9.273 -0.161 . . . 1.0 . . . . . . . . . . . . B . 19 DA OP2 . . . . . . . . . rr_1x2s 1 . 1 . 602 . 2 1 7 DA P P 5.115 -9.365 1.300 . . . 1.0 . . . . . . . . . . . . B . 19 DA P . . . . . . . . . rr_1x2s 1 . 1 . 603 . 2 1 8 DC C1' C -4.338 -7.031 3.349 . . . 1.0 . . . . . . . . . . . . B . 20 DC C1' . . . . . . . . . rr_1x2s 1 . 1 . 604 . 2 1 8 DC C2 C -4.473 -5.183 1.715 . . . 1.0 . . . . . . . . . . . . B . 20 DC C2 . . . . . . . . . rr_1x2s 1 . 1 . 605 . 2 1 8 DC C2' C -4.777 -8.469 3.217 . . . 1.0 . . . . . . . . . . . . B . 20 DC C2' . . . . . . . . . rr_1x2s 1 . 1 . 606 . 2 1 8 DC C3' C -4.574 -8.996 4.625 . . . 1.0 . . . . . . . . . . . . B . 20 DC C3' . . . . . . . . . rr_1x2s 1 . 1 . 607 . 2 1 8 DC C4 C -3.113 -5.152 -0.171 . . . 1.0 . . . . . . . . . . . . B . 20 DC C4 . . . . . . . . . rr_1x2s 1 . 1 . 608 . 2 1 8 DC C4' C -3.420 -8.160 5.176 . . . 1.0 . . . . . . . . . . . . B . 20 DC C4' . . . . . . . . . rr_1x2s 1 . 1 . 609 . 2 1 8 DC C5 C -2.506 -6.386 0.194 . . . 1.0 . . . . . . . . . . . . B . 20 DC C5 . . . . . . . . . rr_1x2s 1 . 1 . 610 . 2 1 8 DC C5' C -2.090 -8.868 5.278 . . . 1.0 . . . . . . . . . . . . B . 20 DC C5' . . . . . . . . . rr_1x2s 1 . 1 . 611 . 2 1 8 DC C6 C -2.924 -6.967 1.325 . . . 1.0 . . . . . . . . . . . . B . 20 DC C6 . . . . . . . . . rr_1x2s 1 . 1 . 612 . 2 1 8 DC H1' H -5.124 -6.419 3.786 . . . 1.0 . . . . . . . . . . . . B . 20 DC H1' . . . . . . . . . rr_1x2s 1 . 1 . 613 . 2 1 8 DC H2' H -4.176 -9.017 2.497 . . . 1.0 . . . . . . . . . . . . B . 20 DC H2' . . . . . . . . . rr_1x2s 1 . 1 . 614 . 2 1 8 DC H2'' H -5.824 -8.519 2.918 . . . 1.0 . . . . . . . . . . . . B . 20 DC H2'' . . . . . . . . . rr_1x2s 1 . 1 . 615 . 2 1 8 DC H3' H -4.343 -10.063 4.640 . . . 1.0 . . . . . . . . . . . . B . 20 DC H3' . . . . . . . . . rr_1x2s 1 . 1 . 616 . 2 1 8 DC H4' H -3.707 -7.860 6.183 . . . 1.0 . . . . . . . . . . . . B . 20 DC H4' . . . . . . . . . rr_1x2s 1 . 1 . 617 . 2 1 8 DC H41 H -3.167 -3.651 -1.544 . . . 1.0 . . . . . . . . . . . . B . 20 DC H41 . . . . . . . . . rr_1x2s 1 . 1 . 618 . 2 1 8 DC H42 H -2.019 -4.925 -1.873 . . . 1.0 . . . . . . . . . . . . B . 20 DC H42 . . . . . . . . . rr_1x2s 1 . 1 . 619 . 2 1 8 DC H5 H -1.728 -6.835 -0.420 . . . 1.0 . . . . . . . . . . . . B . 20 DC H5 . . . . . . . . . rr_1x2s 1 . 1 . 620 . 2 1 8 DC H5' H -1.297 -8.126 5.378 . . . 1.0 . . . . . . . . . . . . B . 20 DC H5' . . . . . . . . . rr_1x2s 1 . 1 . 621 . 2 1 8 DC H5'' H -2.095 -9.501 6.163 . . . 1.0 . . . . . . . . . . . . B . 20 DC H5'' . . . . . . . . . rr_1x2s 1 . 1 . 622 . 2 1 8 DC H6 H -2.485 -7.914 1.629 . . . 1.0 . . . . . . . . . . . . B . 20 DC H6 . . . . . . . . . rr_1x2s 1 . 1 . 623 . 2 1 8 DC N1 N -3.891 -6.393 2.099 . . . 1.0 . . . . . . . . . . . . B . 20 DC N1 . . . . . . . . . rr_1x2s 1 . 1 . 624 . 2 1 8 DC N3 N -4.063 -4.587 0.574 . . . 1.0 . . . . . . . . . . . . B . 20 DC N3 . . . . . . . . . rr_1x2s 1 . 1 . 625 . 2 1 8 DC N4 N -2.736 -4.526 -1.286 . . . 1.0 . . . . . . . . . . . . B . 20 DC N4 . . . . . . . . . rr_1x2s 1 . 1 . 626 . 2 1 8 DC O2 O -5.353 -4.688 2.432 . . . 1.0 . . . . . . . . . . . . B . 20 DC O2 . . . . . . . . . rr_1x2s 1 . 1 . 627 . 2 1 8 DC O3' O -5.746 -8.818 5.420 . . . 1.0 . . . . . . . . . . . . B . 20 DC O3' . . . . . . . . . rr_1x2s 1 . 1 . 628 . 2 1 8 DC O4' O -3.266 -7.040 4.262 . . . 1.0 . . . . . . . . . . . . B . 20 DC O4' . . . . . . . . . rr_1x2s 1 . 1 . 629 . 2 1 8 DC O5' O -1.862 -9.662 4.119 . . . 1.0 . . . . . . . . . . . . B . 20 DC O5' . . . . . . . . . rr_1x2s 1 . 1 . 630 . 2 1 8 DC OP1 O -0.896 -11.694 5.186 . . . 1.0 . . . . . . . . . . . . B . 20 DC OP1 . . . . . . . . . rr_1x2s 1 . 1 . 631 . 2 1 8 DC OP2 O -0.541 -11.223 2.690 . . . 1.0 . . . . . . . . . . . . B . 20 DC OP2 . . . . . . . . . rr_1x2s 1 . 1 . 632 . 2 1 8 DC P P -0.678 -10.727 4.082 . . . 1.0 . . . . . . . . . . . . B . 20 DC P . . . . . . . . . rr_1x2s 1 . 1 . 633 . 2 1 9 DA C1' C -9.135 -5.503 1.969 . . . 1.0 . . . . . . . . . . . . B . 21 DA C1' . . . . . . . . . rr_1x2s 1 . 1 . 634 . 2 1 9 DA C2 C -8.750 -2.644 -1.289 . . . 1.0 . . . . . . . . . . . . B . 21 DA C2 . . . . . . . . . rr_1x2s 1 . 1 . 635 . 2 1 9 DA C2' C -9.938 -6.772 2.138 . . . 1.0 . . . . . . . . . . . . B . 21 DA C2' . . . . . . . . . rr_1x2s 1 . 1 . 636 . 2 1 9 DA C3' C -10.195 -6.787 3.634 . . . 1.0 . . . . . . . . . . . . B . 21 DA C3' . . . . . . . . . rr_1x2s 1 . 1 . 637 . 2 1 9 DA C4 C -8.269 -4.475 -0.171 . . . 1.0 . . . . . . . . . . . . B . 21 DA C4 . . . . . . . . . rr_1x2s 1 . 1 . 638 . 2 1 9 DA C4' C -8.983 -6.074 4.229 . . . 1.0 . . . . . . . . . . . . B . 21 DA C4' . . . . . . . . . rr_1x2s 1 . 1 . 639 . 2 1 9 DA C5 C -7.301 -4.847 -1.085 . . . 1.0 . . . . . . . . . . . . B . 21 DA C5 . . . . . . . . . rr_1x2s 1 . 1 . 640 . 2 1 9 DA C5' C -7.972 -6.962 4.914 . . . 1.0 . . . . . . . . . . . . B . 21 DA C5' . . . . . . . . . rr_1x2s 1 . 1 . 641 . 2 1 9 DA C6 C -7.091 -3.989 -2.175 . . . 1.0 . . . . . . . . . . . . B . 21 DA C6 . . . . . . . . . rr_1x2s 1 . 1 . 642 . 2 1 9 DA C8 C -7.329 -6.371 0.393 . . . 1.0 . . . . . . . . . . . . B . 21 DA C8 . . . . . . . . . rr_1x2s 1 . 1 . 643 . 2 1 9 DA H1' H -9.779 -4.623 1.963 . . . 1.0 . . . . . . . . . . . . B . 21 DA H1' . . . . . . . . . rr_1x2s 1 . 1 . 644 . 2 1 9 DA H2 H -9.336 -1.733 -1.406 . . . 1.0 . . . . . . . . . . . . B . 21 DA H2 . . . . . . . . . rr_1x2s 1 . 1 . 645 . 2 1 9 DA H2' H -9.385 -7.656 1.822 . . . 1.0 . . . . . . . . . . . . B . 21 DA H2' . . . . . . . . . rr_1x2s 1 . 1 . 646 . 2 1 9 DA H2'' H -10.868 -6.713 1.574 . . . 1.0 . . . . . . . . . . . . B . 21 DA H2'' . . . . . . . . . rr_1x2s 1 . 1 . 647 . 2 1 9 DA H3' H -10.300 -7.800 4.026 . . . 1.0 . . . . . . . . . . . . B . 21 DA H3' . . . . . . . . . rr_1x2s 1 . 1 . 648 . 2 1 9 DA H4' H -9.366 -5.380 4.978 . . . 1.0 . . . . . . . . . . . . B . 21 DA H4' . . . . . . . . . rr_1x2s 1 . 1 . 649 . 2 1 9 DA H5' H -6.995 -6.482 4.885 . . . 1.0 . . . . . . . . . . . . B . 21 DA H5' . . . . . . . . . rr_1x2s 1 . 1 . 650 . 2 1 9 DA H5'' H -8.267 -7.097 5.952 . . . 1.0 . . . . . . . . . . . . B . 21 DA H5'' . . . . . . . . . rr_1x2s 1 . 1 . 651 . 2 1 9 DA H61 H -6.084 -3.559 -3.890 . . . 1.0 . . . . . . . . . . . . B . 21 DA H61 . . . . . . . . . rr_1x2s 1 . 1 . 652 . 2 1 9 DA H62 H -5.612 -5.043 -3.095 . . . 1.0 . . . . . . . . . . . . B . 21 DA H62 . . . . . . . . . rr_1x2s 1 . 1 . 653 . 2 1 9 DA H8 H -7.113 -7.271 0.944 . . . 1.0 . . . . . . . . . . . . B . 21 DA H8 . . . . . . . . . rr_1x2s 1 . 1 . 654 . 2 1 9 DA N1 N -7.847 -2.873 -2.249 . . . 1.0 . . . . . . . . . . . . B . 21 DA N1 . . . . . . . . . rr_1x2s 1 . 1 . 655 . 2 1 9 DA N3 N -9.037 -3.373 -0.215 . . . 1.0 . . . . . . . . . . . . B . 21 DA N3 . . . . . . . . . rr_1x2s 1 . 1 . 656 . 2 1 9 DA N6 N -6.190 -4.216 -3.131 . . . 1.0 . . . . . . . . . . . . B . 21 DA N6 . . . . . . . . . rr_1x2s 1 . 1 . 657 . 2 1 9 DA N7 N -6.713 -6.048 -0.716 . . . 1.0 . . . . . . . . . . . . B . 21 DA N7 . . . . . . . . . rr_1x2s 1 . 1 . 658 . 2 1 9 DA N9 N -8.279 -5.460 0.784 . . . 1.0 . . . . . . . . . . . . B . 21 DA N9 . . . . . . . . . rr_1x2s 1 . 1 . 659 . 2 1 9 DA O3' O -11.393 -6.088 3.967 . . . 1.0 . . . . . . . . . . . . B . 21 DA O3' . . . . . . . . . rr_1x2s 1 . 1 . 660 . 2 1 9 DA O4' O -8.323 -5.412 3.115 . . . 1.0 . . . . . . . . . . . . B . 21 DA O4' . . . . . . . . . rr_1x2s 1 . 1 . 661 . 2 1 9 DA O5' O -7.904 -8.227 4.264 . . . 1.0 . . . . . . . . . . . . B . 21 DA O5' . . . . . . . . . rr_1x2s 1 . 1 . 662 . 2 1 9 DA OP1 O -7.905 -9.848 6.155 . . . 1.0 . . . . . . . . . . . . B . 21 DA OP1 . . . . . . . . . rr_1x2s 1 . 1 . 663 . 2 1 9 DA OP2 O -6.862 -10.461 3.893 . . . 1.0 . . . . . . . . . . . . B . 21 DA OP2 . . . . . . . . . rr_1x2s 1 . 1 . 664 . 2 1 9 DA P P -7.146 -9.451 4.944 . . . 1.0 . . . . . . . . . . . . B . 21 DA P . . . . . . . . . rr_1x2s 1 . 1 . 665 . 2 1 10 DG C1' C -12.849 -3.597 -1.069 . . . 1.0 . . . . . . . . . . . . B . 22 DG C1' . . . . . . . . . rr_1x2s 1 . 1 . 666 . 2 1 10 DG C2 C -10.884 -2.392 -4.735 . . . 1.0 . . . . . . . . . . . . B . 22 DG C2 . . . . . . . . . rr_1x2s 1 . 1 . 667 . 2 1 10 DG C2' C -14.031 -4.485 -0.753 . . . 1.0 . . . . . . . . . . . . B . 22 DG C2' . . . . . . . . . rr_1x2s 1 . 1 . 668 . 2 1 10 DG C3' C -14.582 -3.836 0.503 . . . 1.0 . . . . . . . . . . . . B . 22 DG C3' . . . . . . . . . rr_1x2s 1 . 1 . 669 . 2 1 10 DG C4 C -11.245 -3.738 -3.017 . . . 1.0 . . . . . . . . . . . . B . 22 DG C4 . . . . . . . . . rr_1x2s 1 . 1 . 670 . 2 1 10 DG C4' C -13.347 -3.264 1.194 . . . 1.0 . . . . . . . . . . . . B . 22 DG C4' . . . . . . . . . rr_1x2s 1 . 1 . 671 . 2 1 10 DG C5 C -10.292 -4.663 -3.385 . . . 1.0 . . . . . . . . . . . . B . 22 DG C5 . . . . . . . . . rr_1x2s 1 . 1 . 672 . 2 1 10 DG C5' C -12.820 -4.066 2.359 . . . 1.0 . . . . . . . . . . . . B . 22 DG C5' . . . . . . . . . rr_1x2s 1 . 1 . 673 . 2 1 10 DG C6 C -9.540 -4.436 -4.564 . . . 1.0 . . . . . . . . . . . . B . 22 DG C6 . . . . . . . . . rr_1x2s 1 . 1 . 674 . 2 1 10 DG C8 C -11.151 -5.408 -1.590 . . . 1.0 . . . . . . . . . . . . B . 22 DG C8 . . . . . . . . . rr_1x2s 1 . 1 . 675 . 2 1 10 DG H1 H -9.430 -3.003 -6.039 . . . 1.0 . . . . . . . . . . . . B . 22 DG H1 . . . . . . . . . rr_1x2s 1 . 1 . 676 . 2 1 10 DG H1' H -13.162 -2.687 -1.579 . . . 1.0 . . . . . . . . . . . . B . 22 DG H1' . . . . . . . . . rr_1x2s 1 . 1 . 677 . 2 1 10 DG H2' H -13.735 -5.515 -0.568 . . . 1.0 . . . . . . . . . . . . B . 22 DG H2' . . . . . . . . . rr_1x2s 1 . 1 . 678 . 2 1 10 DG H2'' H -14.757 -4.463 -1.564 . . . 1.0 . . . . . . . . . . . . B . 22 DG H2'' . . . . . . . . . rr_1x2s 1 . 1 . 679 . 2 1 10 DG H21 H -10.564 -1.141 -6.316 . . . 1.0 . . . . . . . . . . . . B . 22 DG H21 . . . . . . . . . rr_1x2s 1 . 1 . 680 . 2 1 10 DG H22 H -11.804 -0.629 -5.197 . . . 1.0 . . . . . . . . . . . . B . 22 DG H22 . . . . . . . . . rr_1x2s 1 . 1 . 681 . 2 1 10 DG H3' H -15.107 -4.549 1.142 . . . 1.0 . . . . . . . . . . . . B . 22 DG H3' . . . . . . . . . rr_1x2s 1 . 1 . 682 . 2 1 10 DG H4' H -13.629 -2.286 1.576 . . . 1.0 . . . . . . . . . . . . B . 22 DG H4' . . . . . . . . . rr_1x2s 1 . 1 . 683 . 2 1 10 DG H5' H -11.766 -3.841 2.498 . . . 1.0 . . . . . . . . . . . . B . 22 DG H5' . . . . . . . . . rr_1x2s 1 . 1 . 684 . 2 1 10 DG H5'' H -13.363 -3.782 3.256 . . . 1.0 . . . . . . . . . . . . B . 22 DG H5'' . . . . . . . . . rr_1x2s 1 . 1 . 685 . 2 1 10 DG H8 H -11.377 -6.028 -0.737 . . . 1.0 . . . . . . . . . . . . B . 22 DG H8 . . . . . . . . . rr_1x2s 1 . 1 . 686 . 2 1 10 DG N1 N -9.912 -3.250 -5.188 . . . 1.0 . . . . . . . . . . . . B . 22 DG N1 . . . . . . . . . rr_1x2s 1 . 1 . 687 . 2 1 10 DG N2 N -11.102 -1.297 -5.477 . . . 1.0 . . . . . . . . . . . . B . 22 DG N2 . . . . . . . . . rr_1x2s 1 . 1 . 688 . 2 1 10 DG N3 N -11.591 -2.591 -3.638 . . . 1.0 . . . . . . . . . . . . B . 22 DG N3 . . . . . . . . . rr_1x2s 1 . 1 . 689 . 2 1 10 DG N7 N -10.243 -5.711 -2.475 . . . 1.0 . . . . . . . . . . . . B . 22 DG N7 . . . . . . . . . rr_1x2s 1 . 1 . 690 . 2 1 10 DG N9 N -11.794 -4.224 -1.856 . . . 1.0 . . . . . . . . . . . . B . 22 DG N9 . . . . . . . . . rr_1x2s 1 . 1 . 691 . 2 1 10 DG O3' O -15.509 -2.794 0.199 . . . 1.0 . . . . . . . . . . . . B . 22 DG O3' . . . . . . . . . rr_1x2s 1 . 1 . 692 . 2 1 10 DG O4' O -12.314 -3.210 0.175 . . . 1.0 . . . . . . . . . . . . B . 22 DG O4' . . . . . . . . . rr_1x2s 1 . 1 . 693 . 2 1 10 DG O5' O -12.986 -5.459 2.120 . . . 1.0 . . . . . . . . . . . . B . 22 DG O5' . . . . . . . . . rr_1x2s 1 . 1 . 694 . 2 1 10 DG O6 O -8.650 -5.138 -5.056 . . . 1.0 . . . . . . . . . . . . B . 22 DG O6 . . . . . . . . . rr_1x2s 1 . 1 . 695 . 2 1 10 DG OP1 O -13.853 -6.286 4.302 . . . 1.0 . . . . . . . . . . . . B . 22 DG OP1 . . . . . . . . . rr_1x2s 1 . 1 . 696 . 2 1 10 DG OP2 O -12.638 -7.865 2.687 . . . 1.0 . . . . . . . . . . . . B . 22 DG OP2 . . . . . . . . . rr_1x2s 1 . 1 . 697 . 2 1 10 DG P P -12.790 -6.519 3.293 . . . 1.0 . . . . . . . . . . . . B . 22 DG P . . . . . . . . . rr_1x2s 1 . 1 . 698 . 2 1 11 DT C1' C -14.827 -2.636 -5.515 . . . 1.0 . . . . . . . . . . . . B . 23 DT C1' . . . . . . . . . rr_1x2s 1 . 1 . 699 . 2 1 11 DT C2 C -13.051 -3.946 -6.574 . . . 1.0 . . . . . . . . . . . . B . 23 DT C2 . . . . . . . . . rr_1x2s 1 . 1 . 700 . 2 1 11 DT C2' C -16.299 -2.930 -5.372 . . . 1.0 . . . . . . . . . . . . B . 23 DT C2' . . . . . . . . . rr_1x2s 1 . 1 . 701 . 2 1 11 DT C3' C -16.826 -1.647 -4.767 . . . 1.0 . . . . . . . . . . . . B . 23 DT C3' . . . . . . . . . rr_1x2s 1 . 1 . 702 . 2 1 11 DT C4 C -12.294 -6.058 -5.564 . . . 1.0 . . . . . . . . . . . . B . 23 DT C4 . . . . . . . . . rr_1x2s 1 . 1 . 703 . 2 1 11 DT C4' C -15.660 -1.137 -3.928 . . . 1.0 . . . . . . . . . . . . B . 23 DT C4' . . . . . . . . . rr_1x2s 1 . 1 . 704 . 2 1 11 DT C5 C -13.255 -5.863 -4.504 . . . 1.0 . . . . . . . . . . . . B . 23 DT C5 . . . . . . . . . rr_1x2s 1 . 1 . 705 . 2 1 11 DT C5' C -15.776 -1.375 -2.444 . . . 1.0 . . . . . . . . . . . . B . 23 DT C5' . . . . . . . . . rr_1x2s 1 . 1 . 706 . 2 1 11 DT C6 C -14.025 -4.767 -4.537 . . . 1.0 . . . . . . . . . . . . B . 23 DT C6 . . . . . . . . . rr_1x2s 1 . 1 . 707 . 2 1 11 DT C7 C -13.357 -6.891 -3.424 . . . 1.0 . . . . . . . . . . . . B . 23 DT C7 . . . . . . . . . rr_1x2s 1 . 1 . 708 . 2 1 11 DT H1' H -14.633 -2.049 -6.407 . . . 1.0 . . . . . . . . . . . . B . 23 DT H1' . . . . . . . . . rr_1x2s 1 . 1 . 709 . 2 1 11 DT H2' H -16.482 -3.777 -4.725 . . . 1.0 . . . . . . . . . . . . B . 23 DT H2' . . . . . . . . . rr_1x2s 1 . 1 . 710 . 2 1 11 DT H2'' H -16.747 -3.120 -6.341 . . . 1.0 . . . . . . . . . . . . B . 23 DT H2'' . . . . . . . . . rr_1x2s 1 . 1 . 711 . 2 1 11 DT H3 H -11.608 -5.190 -7.274 . . . 1.0 . . . . . . . . . . . . B . 23 DT H3 . . . . . . . . . rr_1x2s 1 . 1 . 712 . 2 1 11 DT H3' H -17.717 -1.808 -4.163 . . . 1.0 . . . . . . . . . . . . B . 23 DT H3' . . . . . . . . . rr_1x2s 1 . 1 . 713 . 2 1 11 DT H4' H -15.618 -0.060 -4.081 . . . 1.0 . . . . . . . . . . . . B . 23 DT H4' . . . . . . . . . rr_1x2s 1 . 1 . 714 . 2 1 11 DT H5' H -14.794 -1.271 -1.986 . . . 1.0 . . . . . . . . . . . . B . 23 DT H5' . . . . . . . . . rr_1x2s 1 . 1 . 715 . 2 1 11 DT H5'' H -16.446 -0.631 -2.022 . . . 1.0 . . . . . . . . . . . . B . 23 DT H5'' . . . . . . . . . rr_1x2s 1 . 1 . 716 . 2 1 11 DT H6 H -14.746 -4.616 -3.735 . . . 1.0 . . . . . . . . . . . . B . 23 DT H6 . . . . . . . . . rr_1x2s 1 . 1 . 717 . 2 1 11 DT H71 H -13.309 -6.945 -2.983 . . . 1.0 . . . . . . . . . . . . B . 23 DT H71 . . . . . . . . . rr_1x2s 1 . 1 . 718 . 2 1 11 DT H72 H -13.187 -7.298 -3.282 . . . 1.0 . . . . . . . . . . . . B . 23 DT H72 . . . . . . . . . rr_1x2s 1 . 1 . 719 . 2 1 11 DT H73 H -13.647 -7.182 -3.221 . . . 1.0 . . . . . . . . . . . . B . 23 DT H73 . . . . . . . . . rr_1x2s 1 . 1 . 720 . 2 1 11 DT N1 N -13.945 -3.820 -5.535 . . . 1.0 . . . . . . . . . . . . B . 23 DT N1 . . . . . . . . . rr_1x2s 1 . 1 . 721 . 2 1 11 DT N3 N -12.272 -5.071 -6.524 . . . 1.0 . . . . . . . . . . . . B . 23 DT N3 . . . . . . . . . rr_1x2s 1 . 1 . 722 . 2 1 11 DT O2 O -12.954 -3.128 -7.473 . . . 1.0 . . . . . . . . . . . . B . 23 DT O2 . . . . . . . . . rr_1x2s 1 . 1 . 723 . 2 1 11 DT O3' O -17.177 -0.690 -5.763 . . . 1.0 . . . . . . . . . . . . B . 23 DT O3' . . . . . . . . . rr_1x2s 1 . 1 . 724 . 2 1 11 DT O4 O -11.527 -7.012 -5.652 . . . 1.0 . . . . . . . . . . . . B . 23 DT O4 . . . . . . . . . rr_1x2s 1 . 1 . 725 . 2 1 11 DT O4' O -14.480 -1.838 -4.411 . . . 1.0 . . . . . . . . . . . . B . 23 DT O4' . . . . . . . . . rr_1x2s 1 . 1 . 726 . 2 1 11 DT O5' O -16.283 -2.679 -2.192 . . . 1.0 . . . . . . . . . . . . B . 23 DT O5' . . . . . . . . . rr_1x2s 1 . 1 . 727 . 2 1 11 DT OP1 O -17.870 -2.172 -0.348 . . . 1.0 . . . . . . . . . . . . B . 23 DT OP1 . . . . . . . . . rr_1x2s 1 . 1 . 728 . 2 1 11 DT OP2 O -17.015 -4.555 -0.731 . . . 1.0 . . . . . . . . . . . . B . 23 DT OP2 . . . . . . . . . rr_1x2s 1 . 1 . 729 . 2 1 11 DT P P -16.778 -3.093 -0.740 . . . 1.0 . . . . . . . . . . . . B . 23 DT P . . . . . . . . . rr_1x2s 1 . 1 . 730 . 2 1 12 DC C1' C -15.266 -2.960 -10.636 . . . 1.0 . . . . . . . . . . . . B . 24 DC C1' . . . . . . . . . rr_1x2s 1 . 1 . 731 . 2 1 12 DC C2 C -13.892 -5.004 -10.484 . . . 1.0 . . . . . . . . . . . . B . 24 DC C2 . . . . . . . . . rr_1x2s 1 . 1 . 732 . 2 1 12 DC C2' C -16.720 -2.824 -11.028 . . . 1.0 . . . . . . . . . . . . B . 24 DC C2' . . . . . . . . . rr_1x2s 1 . 1 . 733 . 2 1 12 DC C3' C -16.923 -1.321 -11.040 . . . 1.0 . . . . . . . . . . . . B . 24 DC C3' . . . . . . . . . rr_1x2s 1 . 1 . 734 . 2 1 12 DC C4 C -14.135 -6.481 -8.716 . . . 1.0 . . . . . . . . . . . . B . 24 DC C4 . . . . . . . . . rr_1x2s 1 . 1 . 735 . 2 1 12 DC C4' C -15.912 -0.790 -10.036 . . . 1.0 . . . . . . . . . . . . B . 24 DC C4' . . . . . . . . . rr_1x2s 1 . 1 . 736 . 2 1 12 DC C5 C -15.162 -5.682 -8.137 . . . 1.0 . . . . . . . . . . . . B . 24 DC C5 . . . . . . . . . rr_1x2s 1 . 1 . 737 . 2 1 12 DC C5' C -16.474 -0.350 -8.711 . . . 1.0 . . . . . . . . . . . . B . 24 DC C5' . . . . . . . . . rr_1x2s 1 . 1 . 738 . 2 1 12 DC C6 C -15.507 -4.559 -8.774 . . . 1.0 . . . . . . . . . . . . B . 24 DC C6 . . . . . . . . . rr_1x2s 1 . 1 . 739 . 2 1 12 DC H1' H -14.621 -2.866 -11.502 . . . 1.0 . . . . . . . . . . . . B . 24 DC H1' . . . . . . . . . rr_1x2s 1 . 1 . 740 . 2 1 12 DC H2' H -17.386 -3.306 -10.321 . . . 1.0 . . . . . . . . . . . . B . 24 DC H2' . . . . . . . . . rr_1x2s 1 . 1 . 741 . 2 1 12 DC H2'' H -16.879 -3.255 -12.015 . . . 1.0 . . . . . . . . . . . . B . 24 DC H2'' . . . . . . . . . rr_1x2s 1 . 1 . 742 . 2 1 12 DC H3' H -17.937 -1.037 -10.770 . . . 1.0 . . . . . . . . . . . . B . 24 DC H3' . . . . . . . . . rr_1x2s 1 . 1 . 743 . 2 1 12 DC H4' H -15.451 0.080 -10.488 . . . 1.0 . . . . . . . . . . . . B . 24 DC H4' . . . . . . . . . rr_1x2s 1 . 1 . 744 . 2 1 12 DC H41 H -13.022 -8.175 -8.536 . . . 1.0 . . . . . . . . . . . . B . 24 DC H41 . . . . . . . . . rr_1x2s 1 . 1 . 745 . 2 1 12 DC H42 H -14.184 -7.897 -7.264 . . . 1.0 . . . . . . . . . . . . B . 24 DC H42 . . . . . . . . . rr_1x2s 1 . 1 . 746 . 2 1 12 DC H5 H -15.657 -5.979 -7.218 . . . 1.0 . . . . . . . . . . . . B . 24 DC H5 . . . . . . . . . rr_1x2s 1 . 1 . 747 . 2 1 12 DC H5' H -15.663 -0.135 -8.028 . . . 1.0 . . . . . . . . . . . . B . 24 DC H5' . . . . . . . . . rr_1x2s 1 . 1 . 748 . 2 1 12 DC H5'' H -17.052 0.554 -8.850 . . . 1.0 . . . . . . . . . . . . B . 24 DC H5'' . . . . . . . . . rr_1x2s 1 . 1 . 749 . 2 1 12 DC H6 H -16.292 -3.931 -8.362 . . . 1.0 . . . . . . . . . . . . B . 24 DC H6 . . . . . . . . . rr_1x2s 1 . 1 . 750 . 2 1 12 DC HO3' H -16.348 -0.768 -12.597 . . . 1.0 . . . . . . . . . . . . B . 24 DC HO3' . . . . . . . . . rr_1x2s 1 . 1 . 751 . 2 1 12 DC N1 N -14.894 -4.198 -9.936 . . . 1.0 . . . . . . . . . . . . B . 24 DC N1 . . . . . . . . . rr_1x2s 1 . 1 . 752 . 2 1 12 DC N3 N -13.532 -6.139 -9.850 . . . 1.0 . . . . . . . . . . . . B . 24 DC N3 . . . . . . . . . rr_1x2s 1 . 1 . 753 . 2 1 12 DC N4 N -13.748 -7.609 -8.124 . . . 1.0 . . . . . . . . . . . . B . 24 DC N4 . . . . . . . . . rr_1x2s 1 . 1 . 754 . 2 1 12 DC O2 O -13.355 -4.657 -11.541 . . . 1.0 . . . . . . . . . . . . B . 24 DC O2 . . . . . . . . . rr_1x2s 1 . 1 . 755 . 2 1 12 DC O3' O -16.686 -0.796 -12.344 . . . 1.0 . . . . . . . . . . . . B . 24 DC O3' . . . . . . . . . rr_1x2s 1 . 1 . 756 . 2 1 12 DC O4' O -14.986 -1.874 -9.798 . . . 1.0 . . . . . . . . . . . . B . 24 DC O4' . . . . . . . . . rr_1x2s 1 . 1 . 757 . 2 1 12 DC O5' O -17.294 -1.366 -8.175 . . . 1.0 . . . . . . . . . . . . B . 24 DC O5' . . . . . . . . . rr_1x2s 1 . 1 . 758 . 2 1 12 DC OP1 O -19.000 0.148 -7.208 . . . 1.0 . . . . . . . . . . . . B . 24 DC OP1 . . . . . . . . . rr_1x2s 1 . 1 . 759 . 2 1 12 DC OP2 O -18.915 -2.325 -6.561 . . . 1.0 . . . . . . . . . . . . B . 24 DC OP2 . . . . . . . . . rr_1x2s 1 . 1 . 760 . 2 1 12 DC P P -18.216 -1.071 -6.922 . . . 1.0 . . . . . . . . . . . . B . 24 DC P . . . . . . . . . rr_1x2s 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 rr_1x2s _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 1x2s.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 rr_1x2s 1 1 1x2s.mr . . XPLOR/CNS 2 distance NOE simple 111 rr_1x2s 1 1 1x2s.mr . . XPLOR/CNS 3 'dipolar coupling' 'Not applicable' 'Not applicable' 52 rr_1x2s 1 1 1x2s.mr . . 'MR format' 4 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 rr_1x2s 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID rr_1x2s _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 . . . . rr_1x2s 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 H1' H . . . 1 1 2 2 DA H8 H . . . . . 3.75 3.53 3.97 . . . . . A . 1 DG H1' . . A . 2 DA H8 . . . 1 . H1' . . . . . 2 . H8 . . rr_1x2s 1 2 1 . . 1 1 6 6 DT H1' H . . . 1 1 7 7 DA H8 H . . . . . 3.79 3.56 4.02 . . . . . A . 6 DT H1' . . A . 7 DA H8 . . . 6 . H1' . . . . . 7 . H8 . . rr_1x2s 1 3 1 . . 1 1 8 8 DC H1' H . . . 1 1 9 9 DA H8 H . . . . . 3.91 3.67 4.15 . . . . . A . 8 DC H1' . . A . 9 DA H8 . . . 8 . H1' . . . . . 9 . H8 . . rr_1x2s 1 4 1 . . 1 1 4 4 DT H1' H . . . 1 1 5 5 DG H8 H . . . . . 3.84 3.61 4.07 . . . . . A . 4 DT H1' . . A . 5 DG H8 . . . 4 . H1' . . . . . 5 . H8 . . rr_1x2s 1 5 1 . . 1 1 9 9 DA H1' H . . . 1 1 10 10 DG H8 H . . . . . 3.70 3.48 3.92 . . . . . A . 9 DA H1' . . A . 10 DG H8 . . . 9 . H1' . . . . . 10 . H8 . . rr_1x2s 1 6 1 . . 1 1 2 2 DA H1' H . . . 1 1 3 3 DC H6 H . . . . . 3.64 3.42 3.86 . . . . . A . 2 DA H1' . . A . 3 DC H6 . . . 2 . H1' . . . . . 3 . H6 . . rr_1x2s 1 7 1 . . 1 1 7 7 DA H1' H . . . 1 1 8 8 DC H6 H . . . . . 3.88 3.65 4.11 . . . . . A . 7 DA H1' . . A . 8 DC H6 . . . 7 . H1' . . . . . 8 . H6 . . rr_1x2s 1 8 1 . . 1 1 5 5 DG H1' H . . . 1 1 6 6 DT H6 H . . . . . 3.50 3.28 3.72 . . . . . A . 5 DG H1' . . A . 6 DT H6 . . . 5 . H1' . . . . . 6 . H6 . . rr_1x2s 1 9 1 . . 1 1 2 2 DA H8 H . . . 1 1 1 1 DG H2'' H . . . . . 2.38 2.17 2.59 . . . . . A . 2 DA H8 . . A . 1 DG H2'' . . . 2 . H8 . . . . . 1 . H2'' . . rr_1x2s 1 10 1 . . 1 1 11 11 DT H2'' H . . . 1 1 12 12 DC H6 H . . . . . 2.53 2.32 2.74 . . . . . A . 11 DT H2'' . . A . 12 DC H6 . . . 11 . H2'' . . . . . 12 . H6 . . rr_1x2s 1 11 1 . . 1 1 7 7 DA H8 H . . . 1 1 6 6 DT H2'' H . . . . . 2.41 2.20 2.62 . . . . . A . 7 DA H8 . . A . 6 DT H2'' . . . 7 . H8 . . . . . 6 . H2'' . . rr_1x2s 1 12 1 . . 1 1 5 5 DG H8 H . . . 1 1 4 4 DT H2'' H . . . . . 2.37 2.16 2.58 . . . . . A . 5 DG H8 . . A . 4 DT H2'' . . . 5 . H8 . . . . . 4 . H2'' . . rr_1x2s 1 13 1 . . 1 1 10 10 DG H8 H . . . 1 1 9 9 DA H2'' H . . . . . 2.40 2.19 2.61 . . . . . A . 10 DG H8 . . A . 9 DA H2'' . . . 10 . H8 . . . . . 9 . H2'' . . rr_1x2s 1 14 1 . . 1 1 10 10 DG H2'' H . . . 1 1 11 11 DT H6 H . . . . . 2.43 2.22 2.64 . . . . . A . 10 DG H2'' . . A . 11 DT H6 . . . 10 . H2'' . . . . . 11 . H6 . . rr_1x2s 1 15 1 . . 1 1 6 6 DT H6 H . . . 1 1 5 5 DG H2'' H . . . . . 2.30 2.09 2.51 . . . . . A . 6 DT H6 . . A . 5 DG H2'' . . . 6 . H6 . . . . . 5 . H2'' . . rr_1x2s 1 16 1 . . 1 1 3 3 DC H6 H . . . 1 1 2 2 DA H2'' H . . . . . 2.34 2.13 2.55 . . . . . A . 3 DC H6 . . A . 2 DA H2'' . . . 3 . H6 . . . . . 2 . H2'' . . rr_1x2s 1 17 1 . . 1 1 8 8 DC H6 H . . . 1 1 7 7 DA H2'' H . . . . . 2.25 2.04 2.46 . . . . . A . 8 DC H6 . . A . 7 DA H2'' . . . 8 . H6 . . . . . 7 . H2'' . . rr_1x2s 1 18 1 . . 1 1 9 9 DA H8 H . . . 1 1 8 8 DC H2'' H . . . . . 2.56 2.34 2.78 . . . . . A . 9 DA H8 . . A . 8 DC H2'' . . . 9 . H8 . . . . . 8 . H2'' . . rr_1x2s 1 19 1 . . 1 1 7 7 DA H8 H . . . 1 1 6 6 DT H2' H . . . . . 3.96 3.73 4.19 . . . . . A . 7 DA H8 . . A . 6 DT H2' . . . 7 . H8 . . . . . 6 . H2' . . rr_1x2s 1 20 1 . . 1 1 11 11 DT H6 H . . . 1 1 10 10 DG H2' H . . . . . 3.43 3.22 3.64 . . . . . A . 11 DT H6 . . A . 10 DG H2' . . . 11 . H6 . . . . . 10 . H2' . . rr_1x2s 1 21 1 . . 1 1 6 6 DT H6 H . . . 1 1 5 5 DG H2' H . . . . . 3.70 3.48 3.92 . . . . . A . 6 DT H6 . . A . 5 DG H2' . . . 6 . H6 . . . . . 5 . H2' . . rr_1x2s 1 22 1 . . 1 1 3 3 DC H6 H . . . 1 1 2 2 DA H2' H . . . . . 3.90 3.67 4.13 . . . . . A . 3 DC H6 . . A . 2 DA H2' . . . 3 . H6 . . . . . 2 . H2' . . rr_1x2s 1 23 1 . . 1 1 8 8 DC H6 H . . . 1 1 7 7 DA H2' H . . . . . 3.53 3.31 3.75 . . . . . A . 8 DC H6 . . A . 7 DA H2' . . . 8 . H6 . . . . . 7 . H2' . . rr_1x2s 1 24 1 . . 1 1 2 2 DA H8 H . . . 1 1 2 2 DA H1' H . . . . . 3.89 3.67 4.11 . . . . . A . 2 DA H8 . . A . 2 DA H1' . . . 2 . H8 . . . . . 2 . H1' . . rr_1x2s 1 25 1 . . 1 1 6 6 DT H1' H . . . 1 1 6 6 DT H6 H . . . . . 3.64 3.41 3.87 . . . . . A . 6 DT H1' . . A . 6 DT H6 . . . 6 . H1' . . . . . 6 . H6 . . rr_1x2s 1 26 1 . . 1 1 8 8 DC H1' H . . . 1 1 8 8 DC H6 H . . . . . 3.66 3.43 3.89 . . . . . A . 8 DC H1' . . A . 8 DC H6 . . . 8 . H1' . . . . . 8 . H6 . . rr_1x2s 1 27 1 . . 1 1 7 7 DA H8 H . . . 1 1 7 7 DA H1' H . . . . . 3.64 3.41 3.87 . . . . . A . 7 DA H8 . . A . 7 DA H1' . . . 7 . H8 . . . . . 7 . H1' . . rr_1x2s 1 28 1 . . 1 1 9 9 DA H8 H . . . 1 1 9 9 DA H1' H . . . . . 3.65 3.42 3.88 . . . . . A . 9 DA H8 . . A . 9 DA H1' . . . 9 . H8 . . . . . 9 . H1' . . rr_1x2s 1 29 1 . . 1 1 1 1 DG H1' H . . . 1 1 1 1 DG H8 H . . . . . 3.80 3.57 4.03 . . . . . A . 1 DG H1' . . A . 1 DG H8 . . . 1 . H1' . . . . . 1 . H8 . . rr_1x2s 1 30 1 . . 1 1 5 5 DG H8 H . . . 1 1 5 5 DG H1' H . . . . . 3.80 3.57 4.03 . . . . . A . 5 DG H8 . . A . 5 DG H1' . . . 5 . H8 . . . . . 5 . H1' . . rr_1x2s 1 31 1 . . 1 1 12 12 DC H6 H . . . 1 1 12 12 DC H1' H . . . . . 3.73 3.50 3.96 . . . . . A . 12 DC H6 . . A . 12 DC H1' . . . 12 . H6 . . . . . 12 . H1' . . rr_1x2s 1 32 1 . . 1 1 11 11 DT H6 H . . . 1 1 11 11 DT H1' H . . . . . 3.73 3.50 3.96 . . . . . A . 11 DT H6 . . A . 11 DT H1' . . . 11 . H6 . . . . . 11 . H1' . . rr_1x2s 1 33 1 . . 1 1 7 7 DA H8 H . . . 1 1 7 7 DA H2'' H . . . . . 3.43 2.68 4.18 . . . . . A . 7 DA H8 . . A . 7 DA H2'' . . . 7 . H8 . . . . . 7 . H2'' . . rr_1x2s 1 34 1 . . 1 1 7 7 DA H8 H . . . 1 1 7 7 DA H2' H . . . . . 2.19 1.64 2.74 . . . . . A . 7 DA H8 . . A . 7 DA H2' . . . 7 . H8 . . . . . 7 . H2' . . rr_1x2s 1 35 1 . . 1 1 5 5 DG H8 H . . . 1 1 5 5 DG H2' H . . . . . 2.10 1.68 2.52 . . . . . A . 5 DG H8 . . A . 5 DG H2' . . . 5 . H8 . . . . . 5 . H2' . . rr_1x2s 1 36 1 . . 1 1 10 10 DG H8 H . . . 1 1 10 10 DG H2' H . . . . . 2.30 1.71 2.89 . . . . . A . 10 DG H8 . . A . 10 DG H2' . . . 10 . H8 . . . . . 10 . H2' . . rr_1x2s 1 37 1 . . 1 1 6 6 DT H1' H . . . 1 1 6 6 DT H2'' H . . . . . 2.24 2.03 2.45 . . . . . A . 6 DT H1' . . A . 6 DT H2'' . . . 6 . H1' . . . . . 6 . H2'' . . rr_1x2s 1 38 1 . . 1 1 8 8 DC H1' H . . . 1 1 8 8 DC H2'' H . . . . . 2.16 1.95 2.37 . . . . . A . 8 DC H1' . . A . 8 DC H2'' . . . 8 . H1' . . . . . 8 . H2'' . . rr_1x2s 1 39 1 . . 1 1 7 7 DA H1' H . . . 1 1 7 7 DA H2'' H . . . . . 2.32 2.11 2.53 . . . . . A . 7 DA H1' . . A . 7 DA H2'' . . . 7 . H1' . . . . . 7 . H2'' . . rr_1x2s 1 40 1 . . 1 1 9 9 DA H1' H . . . 1 1 9 9 DA H2'' H . . . . . 2.33 2.12 2.54 . . . . . A . 9 DA H1' . . A . 9 DA H2'' . . . 9 . H1' . . . . . 9 . H2'' . . rr_1x2s 1 41 1 . . 1 1 10 10 DG H2'' H . . . 1 1 10 10 DG H1' H . . . . . 2.32 2.11 2.53 . . . . . A . 10 DG H2'' . . A . 10 DG H1' . . . 10 . H2'' . . . . . 10 . H1' . . rr_1x2s 1 42 1 . . 1 1 11 11 DT H2'' H . . . 1 1 11 11 DT H1' H . . . . . 2.30 2.09 2.51 . . . . . A . 11 DT H2'' . . A . 11 DT H1' . . . 11 . H2'' . . . . . 11 . H1' . . rr_1x2s 1 43 1 . . 1 1 3 3 DC H2'' H . . . 1 1 3 3 DC H1' H . . . . . 2.25 2.04 2.46 . . . . . A . 3 DC H2'' . . A . 3 DC H1' . . . 3 . H2'' . . . . . 3 . H1' . . rr_1x2s 1 44 1 . . 1 1 4 4 DT H1' H . . . 1 1 4 4 DT H2'' H . . . . . 2.54 2.33 2.75 . . . . . A . 4 DT H1' . . A . 4 DT H2'' . . . 4 . H1' . . . . . 4 . H2'' . . rr_1x2s 1 45 1 . . 1 1 5 5 DG H1' H . . . 1 1 5 5 DG H2'' H . . . . . 2.32 2.11 2.53 . . . . . A . 5 DG H1' . . A . 5 DG H2'' . . . 5 . H1' . . . . . 5 . H2'' . . rr_1x2s 1 46 1 . . 1 1 2 2 DA H1' H . . . 1 1 2 2 DA H2' H . . . . . 2.99 2.77 3.21 . . . . . A . 2 DA H1' . . A . 2 DA H2' . . . 2 . H1' . . . . . 2 . H2' . . rr_1x2s 1 47 1 . . 1 1 6 6 DT H1' H . . . 1 1 6 6 DT H2' H . . . . . 2.69 2.47 2.91 . . . . . A . 6 DT H1' . . A . 6 DT H2' . . . 6 . H1' . . . . . 6 . H2' . . rr_1x2s 1 48 1 . . 1 1 8 8 DC H1' H . . . 1 1 8 8 DC H2' H . . . . . 2.71 2.49 2.93 . . . . . A . 8 DC H1' . . A . 8 DC H2' . . . 8 . H1' . . . . . 8 . H2' . . rr_1x2s 1 49 1 . . 1 1 3 3 DC H2'' H . . . 1 1 3 3 DC H1' H . . . . . 2.42 2.21 2.63 . . . . . A . 3 DC H2'' . . A . 3 DC H1' . . . 3 . H2'' . . . . . 3 . H1' . . rr_1x2s 1 50 1 . . 1 1 11 11 DT H1' H . . . 1 1 11 11 DT H2' H . . . . . 2.71 2.49 2.93 . . . . . A . 11 DT H1' . . A . 11 DT H2' . . . 11 . H1' . . . . . 11 . H2' . . rr_1x2s 1 51 1 . . 1 1 3 3 DC H1' H . . . 1 1 3 3 DC H2' H . . . . . 3.00 2.78 3.22 . . . . . A . 3 DC H1' . . A . 3 DC H2' . . . 3 . H1' . . . . . 3 . H2' . . rr_1x2s 1 52 1 . . 1 1 4 4 DT H1' H . . . 1 1 4 4 DT H2' H . . . . . 2.85 2.63 3.07 . . . . . A . 4 DT H1' . . A . 4 DT H2' . . . 4 . H1' . . . . . 4 . H2' . . rr_1x2s 1 53 1 . . 1 1 1 1 DG H1' H . . . 1 1 1 1 DG H2' H . . . . . 2.86 2.64 3.08 . . . . . A . 1 DG H1' . . A . 1 DG H2' . . . 1 . H1' . . . . . 1 . H2' . . rr_1x2s 1 54 1 . . 1 1 5 5 DG H1' H . . . 1 1 5 5 DG H2' H . . . . . 2.67 2.45 2.89 . . . . . A . 5 DG H1' . . A . 5 DG H2' . . . 5 . H1' . . . . . 5 . H2' . . rr_1x2s 1 55 1 . . 2 1 1 1 DG H1' H . . . 2 1 2 2 DA H8 H . . . . . 3.75 3.53 3.97 . . . . . B . 13 DG H1' . . B . 14 DA H8 . . . 13 . H1' . . . . . 14 . H8 . . rr_1x2s 1 56 1 . . 2 1 6 6 DT H1' H . . . 2 1 7 7 DA H8 H . . . . . 3.79 3.56 4.02 . . . . . B . 18 DT H1' . . B . 19 DA H8 . . . 18 . H1' . . . . . 19 . H8 . . rr_1x2s 1 57 1 . . 2 1 8 8 DC H1' H . . . 2 1 9 9 DA H8 H . . . . . 3.91 3.67 4.15 . . . . . B . 20 DC H1' . . B . 21 DA H8 . . . 20 . H1' . . . . . 21 . H8 . . rr_1x2s 1 58 1 . . 2 1 4 4 DT H1' H . . . 2 1 5 5 DG H8 H . . . . . 3.84 3.61 4.07 . . . . . B . 16 DT H1' . . B . 17 DG H8 . . . 16 . H1' . . . . . 17 . H8 . . rr_1x2s 1 59 1 . . 2 1 9 9 DA H1' H . . . 2 1 10 10 DG H8 H . . . . . 3.70 3.48 3.92 . . . . . B . 21 DA H1' . . B . 22 DG H8 . . . 21 . H1' . . . . . 22 . H8 . . rr_1x2s 1 60 1 . . 2 1 2 2 DA H1' H . . . 2 1 3 3 DC H6 H . . . . . 3.64 3.42 3.86 . . . . . B . 14 DA H1' . . B . 15 DC H6 . . . 14 . H1' . . . . . 15 . H6 . . rr_1x2s 1 61 1 . . 2 1 7 7 DA H1' H . . . 2 1 8 8 DC H6 H . . . . . 3.88 3.65 4.11 . . . . . B . 19 DA H1' . . B . 20 DC H6 . . . 19 . H1' . . . . . 20 . H6 . . rr_1x2s 1 62 1 . . 2 1 5 5 DG H1' H . . . 2 1 6 6 DT H6 H . . . . . 3.50 3.28 3.72 . . . . . B . 17 DG H1' . . B . 18 DT H6 . . . 17 . H1' . . . . . 18 . H6 . . rr_1x2s 1 63 1 . . 2 1 2 2 DA H8 H . . . 2 1 1 1 DG H2'' H . . . . . 2.38 2.17 2.59 . . . . . B . 14 DA H8 . . B . 13 DG H2'' . . . 14 . H8 . . . . . 13 . H2'' . . rr_1x2s 1 64 1 . . 2 1 11 11 DT H2'' H . . . 2 1 12 12 DC H6 H . . . . . 2.53 2.32 2.74 . . . . . B . 23 DT H2'' . . B . 24 DC H6 . . . 23 . H2'' . . . . . 24 . H6 . . rr_1x2s 1 65 1 . . 2 1 7 7 DA H8 H . . . 2 1 6 6 DT H2'' H . . . . . 2.41 2.20 2.62 . . . . . B . 19 DA H8 . . B . 18 DT H2'' . . . 19 . H8 . . . . . 18 . H2'' . . rr_1x2s 1 66 1 . . 2 1 5 5 DG H8 H . . . 2 1 4 4 DT H2'' H . . . . . 2.37 2.16 2.58 . . . . . B . 17 DG H8 . . B . 16 DT H2'' . . . 17 . H8 . . . . . 16 . H2'' . . rr_1x2s 1 67 1 . . 2 1 10 10 DG H8 H . . . 2 1 9 9 DA H2'' H . . . . . 2.40 2.19 2.61 . . . . . B . 22 DG H8 . . B . 21 DA H2'' . . . 22 . H8 . . . . . 21 . H2'' . . rr_1x2s 1 68 1 . . 2 1 10 10 DG H2'' H . . . 2 1 11 11 DT H6 H . . . . . 2.43 2.22 2.64 . . . . . B . 22 DG H2'' . . B . 23 DT H6 . . . 22 . H2'' . . . . . 23 . H6 . . rr_1x2s 1 69 1 . . 2 1 6 6 DT H6 H . . . 2 1 5 5 DG H2'' H . . . . . 2.30 2.09 2.51 . . . . . B . 18 DT H6 . . B . 17 DG H2'' . . . 18 . H6 . . . . . 17 . H2'' . . rr_1x2s 1 70 1 . . 2 1 3 3 DC H6 H . . . 2 1 2 2 DA H2'' H . . . . . 2.34 2.13 2.55 . . . . . B . 15 DC H6 . . B . 14 DA H2'' . . . 15 . H6 . . . . . 14 . H2'' . . rr_1x2s 1 71 1 . . 2 1 8 8 DC H6 H . . . 2 1 7 7 DA H2'' H . . . . . 2.25 2.04 2.46 . . . . . B . 20 DC H6 . . B . 19 DA H2'' . . . 20 . H6 . . . . . 19 . H2'' . . rr_1x2s 1 72 1 . . 2 1 9 9 DA H8 H . . . 2 1 8 8 DC H2'' H . . . . . 2.56 2.34 2.78 . . . . . B . 21 DA H8 . . B . 20 DC H2'' . . . 21 . H8 . . . . . 20 . H2'' . . rr_1x2s 1 73 1 . . 2 1 7 7 DA H8 H . . . 2 1 6 6 DT H2' H . . . . . 3.96 3.73 4.19 . . . . . B . 19 DA H8 . . B . 18 DT H2' . . . 19 . H8 . . . . . 18 . H2' . . rr_1x2s 1 74 1 . . 2 1 11 11 DT H6 H . . . 2 1 10 10 DG H2' H . . . . . 3.43 3.22 3.64 . . . . . B . 23 DT H6 . . B . 22 DG H2' . . . 23 . H6 . . . . . 22 . H2' . . rr_1x2s 1 75 1 . . 2 1 6 6 DT H6 H . . . 2 1 5 5 DG H2' H . . . . . 3.70 3.48 3.92 . . . . . B . 18 DT H6 . . B . 17 DG H2' . . . 18 . H6 . . . . . 17 . H2' . . rr_1x2s 1 76 1 . . 2 1 3 3 DC H6 H . . . 2 1 2 2 DA H2' H . . . . . 3.90 3.67 4.13 . . . . . B . 15 DC H6 . . B . 14 DA H2' . . . 15 . H6 . . . . . 14 . H2' . . rr_1x2s 1 77 1 . . 2 1 8 8 DC H6 H . . . 2 1 7 7 DA H2' H . . . . . 3.53 3.31 3.75 . . . . . B . 20 DC H6 . . B . 19 DA H2' . . . 20 . H6 . . . . . 19 . H2' . . rr_1x2s 1 78 1 . . 2 1 2 2 DA H8 H . . . 2 1 2 2 DA H1' H . . . . . 3.89 3.67 4.11 . . . . . B . 14 DA H8 . . B . 14 DA H1' . . . 14 . H8 . . . . . 14 . H1' . . rr_1x2s 1 79 1 . . 2 1 6 6 DT H1' H . . . 2 1 6 6 DT H6 H . . . . . 3.64 3.41 3.87 . . . . . B . 18 DT H1' . . B . 18 DT H6 . . . 18 . H1' . . . . . 18 . H6 . . rr_1x2s 1 80 1 . . 2 1 8 8 DC H1' H . . . 2 1 8 8 DC H6 H . . . . . 3.66 3.43 3.89 . . . . . B . 20 DC H1' . . B . 20 DC H6 . . . 20 . H1' . . . . . 20 . H6 . . rr_1x2s 1 81 1 . . 2 1 7 7 DA H8 H . . . 2 1 7 7 DA H1' H . . . . . 3.64 3.41 3.87 . . . . . B . 19 DA H8 . . B . 19 DA H1' . . . 19 . H8 . . . . . 19 . H1' . . rr_1x2s 1 82 1 . . 2 1 9 9 DA H8 H . . . 2 1 9 9 DA H1' H . . . . . 3.65 3.42 3.88 . . . . . B . 21 DA H8 . . B . 21 DA H1' . . . 21 . H8 . . . . . 21 . H1' . . rr_1x2s 1 83 1 . . 2 1 5 5 DG H8 H . . . 2 1 5 5 DG H1' H . . . . . 3.80 3.57 4.03 . . . . . B . 17 DG H8 . . B . 17 DG H1' . . . 17 . H8 . . . . . 17 . H1' . . rr_1x2s 1 84 1 . . 2 1 1 1 DG H1' H . . . 2 1 1 1 DG H8 H . . . . . 3.80 3.57 4.03 . . . . . B . 13 DG H1' . . B . 13 DG H8 . . . 13 . H1' . . . . . 13 . H8 . . rr_1x2s 1 85 1 . . 2 1 12 12 DC H6 H . . . 2 1 12 12 DC H1' H . . . . . 3.73 3.50 3.96 . . . . . B . 24 DC H6 . . B . 24 DC H1' . . . 24 . H6 . . . . . 24 . H1' . . rr_1x2s 1 86 1 . . 2 1 11 11 DT H6 H . . . 2 1 11 11 DT H1' H . . . . . 3.73 3.50 3.96 . . . . . B . 23 DT H6 . . B . 23 DT H1' . . . 23 . H6 . . . . . 23 . H1' . . rr_1x2s 1 87 1 . . 2 1 7 7 DA H8 H . . . 2 1 7 7 DA H2'' H . . . . . 3.43 2.68 4.18 . . . . . B . 19 DA H8 . . B . 19 DA H2'' . . . 19 . H8 . . . . . 19 . H2'' . . rr_1x2s 1 88 1 . . 2 1 7 7 DA H8 H . . . 2 1 7 7 DA H2' H . . . . . 2.19 1.64 2.74 . . . . . B . 19 DA H8 . . B . 19 DA H2' . . . 19 . H8 . . . . . 19 . H2' . . rr_1x2s 1 89 1 . . 2 1 5 5 DG H8 H . . . 2 1 5 5 DG H2' H . . . . . 2.10 1.68 2.52 . . . . . B . 17 DG H8 . . B . 17 DG H2' . . . 17 . H8 . . . . . 17 . H2' . . rr_1x2s 1 90 1 . . 2 1 10 10 DG H8 H . . . 2 1 10 10 DG H2' H . . . . . 2.30 1.71 2.89 . . . . . B . 22 DG H8 . . B . 22 DG H2' . . . 22 . H8 . . . . . 22 . H2' . . rr_1x2s 1 91 1 . . 2 1 6 6 DT H1' H . . . 2 1 6 6 DT H2'' H . . . . . 2.24 2.03 2.45 . . . . . B . 18 DT H1' . . B . 18 DT H2'' . . . 18 . H1' . . . . . 18 . H2'' . . rr_1x2s 1 92 1 . . 2 1 8 8 DC H1' H . . . 2 1 8 8 DC H2'' H . . . . . 2.16 1.95 2.37 . . . . . B . 20 DC H1' . . B . 20 DC H2'' . . . 20 . H1' . . . . . 20 . H2'' . . rr_1x2s 1 93 1 . . 2 1 7 7 DA H1' H . . . 2 1 7 7 DA H2'' H . . . . . 2.32 2.11 2.53 . . . . . B . 19 DA H1' . . B . 19 DA H2'' . . . 19 . H1' . . . . . 19 . H2'' . . rr_1x2s 1 94 1 . . 2 1 9 9 DA H1' H . . . 2 1 9 9 DA H2'' H . . . . . 2.33 2.12 2.54 . . . . . B . 21 DA H1' . . B . 21 DA H2'' . . . 21 . H1' . . . . . 21 . H2'' . . rr_1x2s 1 95 1 . . 2 1 10 10 DG H2'' H . . . 2 1 10 10 DG H1' H . . . . . 2.32 2.11 2.53 . . . . . B . 22 DG H2'' . . B . 22 DG H1' . . . 22 . H2'' . . . . . 22 . H1' . . rr_1x2s 1 96 1 . . 2 1 11 11 DT H2'' H . . . 2 1 11 11 DT H1' H . . . . . 2.30 2.09 2.51 . . . . . B . 23 DT H2'' . . B . 23 DT H1' . . . 23 . H2'' . . . . . 23 . H1' . . rr_1x2s 1 97 1 . . 2 1 3 3 DC H2'' H . . . 2 1 3 3 DC H1' H . . . . . 2.25 2.04 2.46 . . . . . B . 15 DC H2'' . . B . 15 DC H1' . . . 15 . H2'' . . . . . 15 . H1' . . rr_1x2s 1 98 1 . . 2 1 4 4 DT H1' H . . . 2 1 4 4 DT H2'' H . . . . . 2.54 2.33 2.75 . . . . . B . 16 DT H1' . . B . 16 DT H2'' . . . 16 . H1' . . . . . 16 . H2'' . . rr_1x2s 1 99 1 . . 2 1 5 5 DG H1' H . . . 2 1 5 5 DG H2'' H . . . . . 2.32 2.11 2.53 . . . . . B . 17 DG H1' . . B . 17 DG H2'' . . . 17 . H1' . . . . . 17 . H2'' . . rr_1x2s 1 100 1 . . 2 1 2 2 DA H1' H . . . 2 1 2 2 DA H2' H . . . . . 2.99 2.77 3.21 . . . . . B . 14 DA H1' . . B . 14 DA H2' . . . 14 . H1' . . . . . 14 . H2' . . rr_1x2s 1 101 1 . . 2 1 6 6 DT H1' H . . . 2 1 6 6 DT H2' H . . . . . 2.69 2.47 2.91 . . . . . B . 18 DT H1' . . B . 18 DT H2' . . . 18 . H1' . . . . . 18 . H2' . . rr_1x2s 1 102 1 . . 2 1 8 8 DC H1' H . . . 2 1 8 8 DC H2' H . . . . . 2.71 2.49 2.93 . . . . . B . 20 DC H1' . . B . 20 DC H2' . . . 20 . H1' . . . . . 20 . H2' . . rr_1x2s 1 103 1 . . 2 1 11 11 DT H1' H . . . 2 1 11 11 DT H2' H . . . . . 2.71 2.49 2.93 . . . . . B . 23 DT H1' . . B . 23 DT H2' . . . 23 . H1' . . . . . 23 . H2' . . rr_1x2s 1 104 1 . . 2 1 3 3 DC H1' H . . . 2 1 3 3 DC H2' H . . . . . 3.00 2.78 3.22 . . . . . B . 15 DC H1' . . B . 15 DC H2' . . . 15 . H1' . . . . . 15 . H2' . . rr_1x2s 1 105 1 . . 2 1 4 4 DT H1' H . . . 2 1 4 4 DT H2' H . . . . . 2.85 2.63 3.07 . . . . . B . 16 DT H1' . . B . 16 DT H2' . . . 16 . H1' . . . . . 16 . H2' . . rr_1x2s 1 106 1 . . 2 1 1 1 DG H1' H . . . 2 1 1 1 DG H2' H . . . . . 2.86 2.64 3.08 . . . . . B . 13 DG H1' . . B . 13 DG H2' . . . 13 . H1' . . . . . 13 . H2' . . rr_1x2s 1 107 1 . . 2 1 5 5 DG H1' H . . . 2 1 5 5 DG H2' H . . . . . 2.67 2.45 2.89 . . . . . B . 17 DG H1' . . B . 17 DG H2' . . . 17 . H1' . . . . . 17 . H2' . . rr_1x2s 1 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 ; ADN_aromat_inter_H1p.1 39 5.870 8.526 !assign (resid 4 and name H1') (resid 3 and name H6) 3.90 0.23 0.23 !ADN_aromat_inter_H1p.10 52 6.018 7.538 violation xxxx ; 2 68 3 124 rr_1x2s 1 2 'ADN_aromat_inter_H1p.2 38 5.913 8.464' 4 68 4 106 rr_1x2s 1 3 'ADN_aromat_inter_H1p.3 55 5.653 8.373' 5 68 5 106 rr_1x2s 1 4 ; ADN_aromat_inter_H1p.4 41 6.018 8.082 !assign (resid 11 and name H1') (resid 12 and name H6) 4.26 0.25 0.25 !ADN_aromat_inter_H1p.5 43 6.315 7.887 xxxxxxxxx ; 6 68 7 120 rr_1x2s 1 5 'ADN_aromat_inter_H1p.6 45 6.235 7.813' 8 69 8 107 rr_1x2s 1 6 'ADN_aromat_inter_H1p.7 49 6.520 7.550' 9 68 9 106 rr_1x2s 1 7 'ADN_aromat_inter_H1p.8 47 6.377 7.468' 10 68 10 106 rr_1x2s 1 8 ; ADN_aromat_inter_H1p.9 50 6.153 7.419 !assign (resid 1 and name H1') (resid 2 and name H8) 49.77 55.70 55.70 !38 39 5.870 8.526 ; 11 68 12 91 rr_1x2s 1 9 'ADN_aromat_inter_H2pp.1 116 2.971 8.523' 13 69 13 109 rr_1x2s 1 10 'ADN_aromat_inter_H2pp.10 88 2.714 7.888' 14 71 14 111 rr_1x2s 1 11 'ADN_aromat_inter_H2pp.2 81 2.664 8.466' 15 69 15 108 rr_1x2s 1 12 'ADN_aromat_inter_H2pp.3 102 2.722 8.079' 16 69 16 109 rr_1x2s 1 13 'ADN_aromat_inter_H2pp.4 114 3.096 7.817' 17 70 17 110 rr_1x2s 1 14 'ADN_aromat_inter_H2pp.5 97 2.926 7.493' 18 71 18 110 rr_1x2s 1 15 'ADN_aromat_inter_H2pp.6 96 2.984 7.423' 19 69 19 108 rr_1x2s 1 16 'ADN_aromat_inter_H2pp.7 93 3.162 7.547' 20 69 20 108 rr_1x2s 1 17 'ADN_aromat_inter_H2pp.8 95 3.075 7.469' 21 69 21 108 rr_1x2s 1 18 ; ADN_aromat_inter_H2pp.9 82 2.510 8.362 !assign (resid 1 and name H2'') (resid 2 and name H8) 90.37 107.82 107.82 !81 116 2.971 8.523 !assign (resid 1 and name H2') (resid 2 and name H8) 4.15 0.24 0.24 !ADN_aromat_inter_H2p.1 80 2.764 8.523 xxxxxx ; 22 69 24 115 rr_1x2s 1 19 ; ADN_aromat_inter_H2p.2 83 2.282 8.466 !!assign (resid 8 and name H2') (resid 9 and name H8) 4.05 0.23 0.23 !ADN_aromat_inter_H2p.3 84 2.141 8.358 xxxxxx !assign (resid 4 and name H2') (resid 5 and name H8) 4.05 0.23 0.23 !ADN_aromat_inter_H2p.4 85 2.386 8.079 xxxxxx ; 25 68 27 118 rr_1x2s 1 20 'ADN_aromat_inter_H2p.5 122 2.709 7.499' 28 70 28 109 rr_1x2s 1 21 'ADN_aromat_inter_H2p.6 99 2.826 7.423' 29 68 29 106 rr_1x2s 1 22 'ADN_aromat_inter_H2p.7 94 3.025 7.547' 30 68 30 106 rr_1x2s 1 23 ; ADN_aromat_inter_H2p.8 98 2.880 7.469 oh assign (resid 1 and name H2') (resid 2 and name H8) 96.42 121.07 121.07 !83 80 2.764 8.523 ; 31 68 32 95 rr_1x2s 1 24 'ADN_aromat_H1p.1 33 6.516 8.526' 33 68 33 100 rr_1x2s 1 25 ; ADN_aromat_H1p.11 53 5.911 7.424 !!assign (resid 3 and name H1') (resid 3 and name H6) 3.42 0.22 0.22 !ADN_aromat_H1p.12 64 6.119 7.545 xxxxxx ; 34 68 35 111 rr_1x2s 1 26 'ADN_aromat_H1p.13 54 5.654 7.467' 36 68 36 101 rr_1x2s 1 27 'ADN_aromat_H1p.2 36 6.377 8.462' 37 68 37 100 rr_1x2s 1 28 ; ADN_aromat_H1p.3 37 6.233 8.363 !assign (resid 5 and name H1') (resid 5 and name H8) 3.80 0.23 0.23 !ADN_aromat_H1p.4 42 6.149 8.082 ; 38 68 39 102 rr_1x2s 1 29 'ADN_aromat_H1p.5 40 5.870 8.118' 40 68 40 100 rr_1x2s 1 30 'ADN_aromat_H1p.6 42 6.149 8.082' 41 68 41 100 rr_1x2s 1 31 'ADN_aromat_H1p.8 44 6.532 7.887' 42 70 42 102 rr_1x2s 1 32 ; ADN_aromat_H1p.9 48 6.315 7.489 !assign (resid 2 and name H1') (resid 2 and name H8) 46.00 51.30 51.30 !36 33 6.516 8.526 !assign (resid 2 and name H2'') (resid 2 and name H8) inf inf inf !ADN_aromat_intraH2pp.1 77 3.163 8.525 !assign (resid 3 and name H2'') (resid 3 and name H6) nan nan nan !ADN_aromat_intraH2pp.10 125 2.737 7.543 !assign (resid 8 and name H2'') (resid 8 and name H6) inf inf inf !ADN_aromat_intraH2pp.11 101 2.513 7.465 !!assign (resid 3 and name H2'') (resid 3 and name H6) 2.74 0.29 0.29 !ADN_aromat_intraH2pp.12 125 2.737 7.543xxxxxxx ; 43 70 48 119 rr_1x2s 1 33 ; ADN_aromat_intraH2pp.2 78 3.079 8.465 !!assign (resid 9 and name H2'') (resid 9 and name H8) 5.05 7.73 7.73 !ADN_aromat_intraH2pp.3 79 3.092 8.363 xxxxxxx !!assign (resid 5 and name H2'') (resid 5 and name H8) 3.28 0.54 0.54 !ADN_aromat_intraH2pp.4 87 2.980 8.079xxxxxxxxxxx !assign (resid 1 and name H2'') (resid 1 and name H8) nan nan nan !ADN_aromat_intraH2pp.5 86 2.965 8.123 ; 49 69 52 106 rr_1x2s 1 34 ; ADN_aromat_intraH2pp.7 112 2.505 7.889 !assign (resid 10 and name H2') (resid 11 and name H6) 2.82 0.30 0.30 !ADN_aromat_intraH2pp.8 122 2.709 7.499xxxxxxxx !!assign (resid 6 and name H2'') (resid 6 and name H6) 2.56 0.27 0.27 !ADN_aromat_intraH2pp.9 100 2.658 7.423xxxxxxxxxxx !assign (resid 2 and name H2'') (resid 2 and name H8) 116.99 141.27 141.27 !78 77 3.163 8.525 !assign (resid 2 and name H2') (resid 2 and name H8) inf inf inf !ADN_aromat_intraH2p.1 115 3.025 8.525 !assign (resid 3 and name H2') (resid 3 and name H6) nan nan nan !ADN_aromat_intraH2p.10 119 2.198 7.543 !assign (resid 8 and name H2') (resid 8 and name H6) inf inf inf !ADN_aromat_intraH2p.11 108 2.136 7.469 !!assign (resid 4 and name H2') (resid 4 and name H6) 1.75 0.26 0.26 !ADN_aromat_intraH2p.12 120 2.380 7.527xxxxxx ; 53 70 60 116 rr_1x2s 1 35 ; ADN_aromat_intraH2p.2 106 2.878 8.465 !!assign (resid 9 and name H2') (resid 9 and name H8) 3.22 5.01 5.01 !ADN_aromat_intraH2p.3 105 2.961 8.363xxxxxxx ; 61 68 62 116 rr_1x2s 1 36 ; ADN_aromat_intraH2p.4 104 2.820 8.079 assign (resid 1 and name H2') (resid 1 and name H8) nan nan nan !ADN_aromat_intraH2p.5 103 2.764 8.119 ; 63 68 64 104 rr_1x2s 1 37 'ADN_aromat_intraH2p.6 89 2.704 7.816' 65 70 65 107 rr_1x2s 1 38 ; ADN_aromat_intraH2p.7 112 2.505 7.889 !!assign (resid 11 and name H2') (resid 11 and name H6) 1.80 0.27 0.27 !ADN_aromat_intraH2p.8 121 2.347 7.495xxxxxxxx !!assign (resid 6 and name H2') (resid 6 and name H6) 1.64 0.25 0.25 !ADN_aromat_intraH2p.9 107 2.283 7.423xxxxxxxxxxxxx !!assign (resid 2 and name H2') (resid 2 and name H8) 109.13 139.01 139.01 !106 115 3.025 8.525 !!assign (resid 2 and name H2'') (resid 2 and name H1') 2.61 0.22 0.22 !ADN_H1p_H2pp.1 237 3.165 6.522xxxxxxxxxxxxxxxxx ; 66 70 70 121 rr_1x2s 1 39 'ADN_H1p_H2pp.10 251 2.665 5.905' 71 70 71 102 rr_1x2s 1 40 'ADN_H1p_H2pp.11 250 2.513 5.660' 72 70 72 102 rr_1x2s 1 41 'ADN_H1p_H2pp.2 239 3.083 6.373' 73 70 73 101 rr_1x2s 1 42 'ADN_H1p_H2pp.3 240 3.091 6.232' 74 70 74 101 rr_1x2s 1 43 ; ADN_H1p_H2pp.4 242 2.923 6.096 !assign (resid 9 and name H2'') (resid 9 and name H1') 2.27 0.21 0.21 !ADN_H1p_H2pp.5 240 3.091 6.232 ; 75 72 76 103 rr_1x2s 1 44 'ADN_H1p_H2pp.6 245 2.721 6.311' 77 72 77 103 rr_1x2s 1 45 'ADN_H1p_H2pp.7 690 2.732 6.106' 78 70 78 101 rr_1x2s 1 46 'ADN_H1p_H2pp.8 254 2.721 6.014' 79 70 79 101 rr_1x2s 1 47 ; ADN_H1p_H2pp.9 241 2.985 6.153 !!assign (resid 2 and name H2'') (resid 2 and name H1') 691.42 368.28 368.28 !239 237 3.165 6.522 ; 80 70 81 99 rr_1x2s 1 48 'ADN_H1p_H2p.1 238 3.026 6.512' 82 69 82 99 rr_1x2s 1 49 'ADN_H1p_H2p.10 249 2.283 5.910' 83 69 83 100 rr_1x2s 1 50 ; ADN_H1p_H2p.11 256 2.131 5.660 !!assign (resid 7 and name H2') (resid 7 and name H1') 2.42 0.21 0.21 !ADN_H1p_H2p.2 244 2.881 6.378xxxxxxxxxxxxxx !!assign (resid 9 and name H2') (resid 9 and name H1') 2.59 0.22 0.22 !ADN_H1p_H2p.3 691 2.964 6.229xxxxxxxxxxxxx ; 84 69 86 115 rr_1x2s 1 51 'ADN_H1p_H2p.4 690 2.732 6.106' 87 70 87 100 rr_1x2s 1 52 'ADN_H1p_H2p.5 247 2.339 6.311' 88 71 88 101 rr_1x2s 1 53 'ADN_H1p_H2p.6 248 2.200 6.112' 89 69 89 99 rr_1x2s 1 54 'ADN_H1p_H2p.7 666 2.376 6.014' 90 69 90 99 rr_1x2s 1 55 'ADN_H1p_H2p.8 252 2.760 5.872' 91 69 91 99 rr_1x2s 1 56 ; ADN_H1p_H2p.9 243 2.825 6.153 !assign (resid 2 and name H2') (resid 2 and name H1') 561.58 285.50 285.50 !244 238 3.026 6.512 ; 92 69 93 97 rr_1x2s 1 57 ; ADN_aromat_inter_H1p.1 39 5.870 8.526 !assign (resid 16 and name H1') (resid 15 and name H6) 3.90 0.23 0.23 !ADN_aromat_inter_H1p.10 52 6.018 7.538 violation xxxx191102 ; 94 70 95 132 rr_1x2s 1 58 'ADN_aromat_inter_H1p.2 38 5.913 8.464' 96 70 96 108 rr_1x2s 1 59 'ADN_aromat_inter_H1p.3 55 5.653 8.373' 97 70 97 108 rr_1x2s 1 60 ; ADN_aromat_inter_H1p.4 41 6.018 8.082 !!assign (resid 23 and name H1') (resid 24 and name H6) 4.26 0.25 0.25 !ADN_aromat_inter_H1p.5 43 6.315 7.887xxxxxxxxxxxxxxx ; 98 70 99 126 rr_1x2s 1 61 'ADN_aromat_inter_H1p.6 45 6.235 7.813' 100 70 100 108 rr_1x2s 1 62 'ADN_aromat_inter_H1p.7 49 6.520 7.550' 101 70 101 108 rr_1x2s 1 63 'ADN_aromat_inter_H1p.8 47 6.377 7.468' 102 70 102 108 rr_1x2s 1 64 ; ADN_aromat_inter_H1p.9 50 6.153 7.419 !assign (resid 13 and name H1') (resid 14 and name H8) 49.77 55.70 55.70 !38 39 5.870 8.526 ; 103 70 104 93 rr_1x2s 1 65 'ADN_aromat_inter_H2pp.1 116 2.971 8.523' 105 71 105 111 rr_1x2s 1 66 'ADN_aromat_inter_H2pp.10 88 2.714 7.888' 106 71 106 111 rr_1x2s 1 67 'ADN_aromat_inter_H2pp.2 81 2.664 8.466' 107 71 107 110 rr_1x2s 1 68 'ADN_aromat_inter_H2pp.3 102 2.722 8.079' 108 71 108 111 rr_1x2s 1 69 'ADN_aromat_inter_H2pp.4 114 3.096 7.817' 109 71 109 111 rr_1x2s 1 70 'ADN_aromat_inter_H2pp.5 97 2.926 7.493' 110 71 110 110 rr_1x2s 1 71 'ADN_aromat_inter_H2pp.6 96 2.984 7.423' 111 71 111 110 rr_1x2s 1 72 'ADN_aromat_inter_H2pp.7 93 3.162 7.547' 112 71 112 110 rr_1x2s 1 73 'ADN_aromat_inter_H2pp.8 95 3.075 7.469' 113 71 113 110 rr_1x2s 1 74 ; ADN_aromat_inter_H2pp.9 82 2.510 8.362 !assign (resid 13 and name H2'') (resid 14 and name H8) 90.37 107.82 107.82 !81 116 2.971 8.523 !assign (resid 13 and name H2') (resid 14 and name H8) 4.15 0.24 0.24 !ADN_aromat_inter_H2p.1 80 2.764 8.523xxxxxxxxxxxx ; 114 71 116 122 rr_1x2s 1 75 ; ADN_aromat_inter_H2p.2 83 2.282 8.466 !assign (resid 20 and name H2') (resid 21 and name H8) 4.05 0.23 0.23 !ADN_aromat_inter_H2p.3 84 2.141 8.358xxxxxxxxxxxxxxxx !!assign (resid 16 and name H2') (resid 17 and name H8) 4.05 0.23 0.23 !ADN_aromat_inter_H2p.4 85 2.386 8.079xxxxxxxxxxx ; 117 70 119 122 rr_1x2s 1 76 'ADN_aromat_inter_H2p.5 122 2.709 7.499' 120 70 120 109 rr_1x2s 1 77 'ADN_aromat_inter_H2p.6 99 2.826 7.423' 121 70 121 108 rr_1x2s 1 78 'ADN_aromat_inter_H2p.7 94 3.025 7.547' 122 70 122 108 rr_1x2s 1 79 ; ADN_aromat_inter_H2p.8 98 2.880 7.469 oh assign (resid 13 and name H2') (resid 14 and name H8) 96.42 121.07 121.07 !83 80 2.764 8.523 ; 123 70 124 97 rr_1x2s 1 80 'ADN_aromat_H1p.1 33 6.516 8.526' 125 70 125 102 rr_1x2s 1 81 ; ADN_aromat_H1p.11 53 5.911 7.424 !!assign (resid 15 and name H1') (resid 15 and name H6) 3.42 0.22 0.22 !ADN_aromat_H1p.12 64 6.119 7.545xxxxxxxxxxxxxxxxxx ; 126 70 127 124 rr_1x2s 1 82 'ADN_aromat_H1p.13 54 5.654 7.467' 128 70 128 103 rr_1x2s 1 83 'ADN_aromat_H1p.2 36 6.377 8.462' 129 70 129 102 rr_1x2s 1 84 'ADN_aromat_H1p.3 37 6.233 8.363' 130 70 130 102 rr_1x2s 1 85 'ADN_aromat_H1p.4 42 6.149 8.082' 131 70 131 102 rr_1x2s 1 86 ; ADN_aromat_H1p.5 40 5.870 8.118 !assign (resid 17 and name H1') (resid 17 and name H8) 3.80 0.23 0.23 !ADN_aromat_H1p.6 42 6.149 8.082 ; 132 70 133 104 rr_1x2s 1 87 'ADN_aromat_H1p.8 44 6.532 7.887' 134 70 134 102 rr_1x2s 1 88 ; ADN_aromat_H1p.9 48 6.315 7.489 !assign (resid 14 and name H1') (resid 14 and name H8) 46.00 51.30 51.30 !36 33 6.516 8.526 !assign (resid 14 and name H2'') (resid 14 and name H8) inf inf inf !ADN_aromat_intraH2pp.1 77 3.163 8.525 !assign (resid 15 and name H2'') (resid 15 and name H6) nan nan nan !ADN_aromat_intraH2pp.10 125 2.737 7.543 !assign (resid 20 and name H2'') (resid 20 and name H6) inf inf inf !ADN_aromat_intraH2pp.11 101 2.513 7.465 !assign (resid 15 and name H2'') (resid 15 and name H6) 2.74 0.29 0.29 !ADN_aromat_intraH2pp.12 125 2.737 7.543xxxxxxxxxxxx ; 135 70 140 125 rr_1x2s 1 89 ; ADN_aromat_intraH2pp.2 78 3.079 8.465 !assign (resid 21 and name H2'') (resid 21 and name H8) 5.05 7.73 7.73 !ADN_aromat_intraH2pp.3 79 3.092 8.363xxxxxxxxxxxxx !assign (resid 17 and name H2'') (resid 17 and name H8) 3.28 0.54 0.54 !ADN_aromat_intraH2pp.4 87 2.980 8.079xxxxxxxxxxxxxx !assign (resid 13 and name H2'') (resid 13 and name H8) nan nan nan !ADN_aromat_intraH2pp.5 86 2.965 8.123 ; 141 71 144 108 rr_1x2s 1 90 ; ADN_aromat_intraH2pp.7 112 2.505 7.889 !assign (resid 22 and name H2') (resid 23 and name H6) 2.82 0.30 0.30 !ADN_aromat_intraH2pp.8 122 2.709 7.499xxxxxxxxxxxxxxx !assign (resid 18 and name H2'') (resid 18 and name H6) 2.56 0.27 0.27 !ADN_aromat_intraH2pp.9 100 2.658 7.423 !assign (resid 14 and name H2'') (resid 14 and name H8) 116.99 141.27 141.27 !78 77 3.163 8.525 !assign (resid 14 and name H2') (resid 14 and name H8) inf inf inf !ADN_aromat_intraH2p.1 115 3.025 8.525 !assign (resid 15 and name H2') (resid 15 and name H6) nan nan nan !ADN_aromat_intraH2p.10 119 2.198 7.543 !assign (resid 20 and name H2') (resid 20 and name H6) inf inf inf !ADN_aromat_intraH2p.11 108 2.136 7.469 !assign (resid 16 and name H2') (resid 16 and name H6) 1.75 0.26 0.26 !ADN_aromat_intraH2p.12 120 2.380 7.527xxxxxxxxxx ; 145 70 152 121 rr_1x2s 1 91 ; ADN_aromat_intraH2p.2 106 2.878 8.465 !assign (resid 21 and name H2') (resid 21 and name H8) 3.22 5.01 5.01 !ADN_aromat_intraH2p.3 105 2.961 8.363xxxxxxxxxxxxxx ; 153 70 154 124 rr_1x2s 1 92 ; ADN_aromat_intraH2p.4 104 2.820 8.079 assign (resid 13 and name H2') (resid 13 and name H8) nan nan nan !ADN_aromat_intraH2p.5 103 2.764 8.119 ; 155 70 156 106 rr_1x2s 1 93 'ADN_aromat_intraH2p.6 89 2.704 7.816' 157 70 157 107 rr_1x2s 1 94 ; ADN_aromat_intraH2p.7 112 2.505 7.889 !assign (resid 23 and name H2') (resid 23 and name H6) 1.80 0.27 0.27 !ADN_aromat_intraH2p.8 121 2.347 7.495xxxxxxxxxxx !assign (resid 18 and name H2') (resid 18 and name H6) 1.64 0.25 0.25 !ADN_aromat_intraH2p.9 107 2.283 7.423xxxxxxxxxxxxx !!assign (resid 14 and name H2') (resid 14 and name H8) 109.13 139.01 139.01 !106 115 3.025 8.525 !assign (resid 14 and name H2'') (resid 14 and name H1') 2.61 0.22 0.22 !ADN_H1p_H2pp.1 237 3.165 6.522 ; 158 70 162 105 rr_1x2s 1 95 'ADN_H1p_H2pp.10 251 2.665 5.905' 163 72 163 104 rr_1x2s 1 96 'ADN_H1p_H2pp.11 250 2.513 5.660' 164 72 164 104 rr_1x2s 1 97 'ADN_H1p_H2pp.2 239 3.083 6.373' 165 72 165 103 rr_1x2s 1 98 'ADN_H1p_H2pp.3 240 3.091 6.232' 166 72 166 103 rr_1x2s 1 99 ; ADN_H1p_H2pp.4 242 2.923 6.096 !assign (resid 21 and name H2'') (resid 21 and name H1') 2.27 0.21 0.21 !ADN_H1p_H2pp.5 240 3.091 6.232 ; 167 72 168 105 rr_1x2s 1 100 'ADN_H1p_H2pp.6 245 2.721 6.311' 169 72 169 103 rr_1x2s 1 101 'ADN_H1p_H2pp.7 690 2.732 6.106' 170 72 170 103 rr_1x2s 1 102 'ADN_H1p_H2pp.8 254 2.721 6.014' 171 72 171 103 rr_1x2s 1 103 ; ADN_H1p_H2pp.9 241 2.985 6.153 !!assign (resid 14 and name H2'') (resid 14 and name H1') 691.42 368.28 368.28 !239 237 3.165 6.522 ; 172 72 173 101 rr_1x2s 1 104 'ADN_H1p_H2p.1 238 3.026 6.512' 174 71 174 101 rr_1x2s 1 105 'ADN_H1p_H2p.10 249 2.283 5.910' 175 71 175 102 rr_1x2s 1 106 ; ADN_H1p_H2p.11 256 2.131 5.660 !!assign (resid 19 and name H2') (resid 19 and name H1') 2.42 0.21 0.21 !ADN_H1p_H2p.2 244 2.881 6.378 !assign (resid 21 and name H2') (resid 21 and name H1') 2.59 0.22 0.22 !ADN_H1p_H2p.3 691 2.964 6.229 !assign (resid 15 and name H2'') (resid 15 and name H1') 2.42 0.21 0.21 !ADN_H1p_H2p.4 690 2.732 6.106 ; 176 71 179 104 rr_1x2s 1 107 'ADN_H1p_H2p.5 247 2.339 6.311' 180 71 180 101 rr_1x2s 1 108 'ADN_H1p_H2p.6 248 2.200 6.112' 181 71 181 101 rr_1x2s 1 109 'ADN_H1p_H2p.7 666 2.376 6.014' 182 71 182 101 rr_1x2s 1 110 'ADN_H1p_H2p.8 252 2.760 5.872' 183 71 183 101 rr_1x2s 1 111 ; ADN_H1p_H2p.9 243 2.825 6.153 !assign (resid 14 and name H2') (resid 14 and name H1') 561.58 285.50 285.50 !244 238 3.026 6.512 !assign (resid 2 and name H3') (resid 2 and name H8) 3.78 0.22 0.22 !ADN_aromat_intra_H3p.1 58 5.295 8.519 !assign (resid 7 and name H3') (resid 7 and name H8) 3.66 0.23 0.23 !ADN_aromat_intra_H3p.2 59 5.225 8.463 !assign (resid 9 and name H3') (resid 9 and name H8) 3.72 0.23 0.23 !ADN_aromat_intra_H3p.3 60 5.246 8.365 !assign (resid 5 and name H3') (resid 5 and name H8) 3.84 0.23 0.23 !ADN_aromat_intra_H3p.4 61 5.176 8.078 assign (resid 1 and name H3') (resid 1 and name H8) 4.97 0.25 0.25 !ADN_aromat_intra_H3p.5 132 5.085 8.120 !assign (resid 9 and name H3') (resid 10 and name H8) 4.50 0.25 0.25 !ADN_aromat_intra_H3p.6 69 5.237 7.819 !assign (resid 12 and name H3') (resid 12 and name H6) 3.23 0.23 0.23 !ADN_aromat_intra_H3p.7 126 4.804 7.884 !assign (resid 6 and name H3') (resid 6 and name H6) 4.25 0.24 0.24 !ADN_aromat_intra_H3p.8 73 5.082 7.423 ; 184 71 193 108 rr_1x2s 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 34 1 "Not handling restraint 34, item 1, resonance(s) ' .12.H2*' (nmrStar names) not linked" rr_1x2s 1 2 2 38 1 "Not handling restraint 38, item 1, resonance(s) ' .12.H2*' (nmrStar names) not linked" rr_1x2s 1 3 2 90 1 "Not handling restraint 90, item 1, resonance(s) ' .24.H2*' (nmrStar names) not linked" rr_1x2s 1 4 2 94 1 "Not handling restraint 94, item 1, resonance(s) ' .24.H2*' (nmrStar names) not linked" rr_1x2s 1 stop_ save_ save_CNS/XPLOR_dipolar_coupling_3 _RDC_constraint_list.Sf_category RDC_constraints _RDC_constraint_list.Sf_framecode CNS/XPLOR_dipolar_coupling_3 _RDC_constraint_list.Entry_ID rr_1x2s _RDC_constraint_list.ID 1 _RDC_constraint_list.Details 'Generated by Wattos' _RDC_constraint_list.Constraint_file_ID 1 _RDC_constraint_list.Block_ID 3 loop_ _RDC_constraint_software.Software_ID _RDC_constraint_software.Software_label _RDC_constraint_software.Method_ID _RDC_constraint_software.Method_label _RDC_constraint_software.Entry_ID _RDC_constraint_software.RDC_constraint_list_ID . . . . rr_1x2s 1 stop_ loop_ _RDC_constraint.ID _RDC_constraint.Assembly_atom_ID_1 _RDC_constraint.Entity_assembly_ID_1 _RDC_constraint.Entity_ID_1 _RDC_constraint.Comp_index_ID_1 _RDC_constraint.Seq_ID_1 _RDC_constraint.Comp_ID_1 _RDC_constraint.Atom_ID_1 _RDC_constraint.Atom_type_1 _RDC_constraint.Atom_isotope_number_1 _RDC_constraint.Resonance_ID_1 _RDC_constraint.Assembly_atom_ID_2 _RDC_constraint.Entity_assembly_ID_2 _RDC_constraint.Entity_ID_2 _RDC_constraint.Comp_index_ID_2 _RDC_constraint.Seq_ID_2 _RDC_constraint.Comp_ID_2 _RDC_constraint.Atom_ID_2 _RDC_constraint.Atom_type_2 _RDC_constraint.Atom_isotope_number_2 _RDC_constraint.Resonance_ID_2 _RDC_constraint.RDC_val _RDC_constraint.RDC_lower_bound _RDC_constraint.RDC_upper_bound _RDC_constraint.RDC_val_err _RDC_constraint.RDC_val_scale_factor _RDC_constraint.RDC_bond_length _RDC_constraint.Source_experiment_ID _RDC_constraint.PDB_record_ID_1 _RDC_constraint.PDB_model_num_1 _RDC_constraint.PDB_strand_ID_1 _RDC_constraint.PDB_ins_code_1 _RDC_constraint.PDB_residue_no_1 _RDC_constraint.PDB_residue_name_1 _RDC_constraint.PDB_atom_name_1 _RDC_constraint.PDB_record_ID_2 _RDC_constraint.PDB_model_num_2 _RDC_constraint.PDB_strand_ID_2 _RDC_constraint.PDB_ins_code_2 _RDC_constraint.PDB_residue_no_2 _RDC_constraint.PDB_residue_name_2 _RDC_constraint.PDB_atom_name_2 _RDC_constraint.Auth_entity_assembly_ID_1 _RDC_constraint.Auth_asym_ID_1 _RDC_constraint.Auth_chain_ID_1 _RDC_constraint.Auth_seq_ID_1 _RDC_constraint.Auth_comp_ID_1 _RDC_constraint.Auth_atom_ID_1 _RDC_constraint.Auth_alt_ID_1 _RDC_constraint.Auth_atom_name_1 _RDC_constraint.Auth_entity_assembly_ID_2 _RDC_constraint.Auth_asym_ID_2 _RDC_constraint.Auth_chain_ID_2 _RDC_constraint.Auth_seq_ID_2 _RDC_constraint.Auth_comp_ID_2 _RDC_constraint.Auth_atom_ID_2 _RDC_constraint.Auth_alt_ID_2 _RDC_constraint.Auth_atom_name_2 _RDC_constraint.Entry_ID _RDC_constraint.RDC_constraint_list_ID 1 . 1 1 1 1 DG C8 C . . . 1 1 1 1 DG H8 H . . 12.110 . . . . . . . . A . 1 DG H8 . . A . 1 DG C8 . . . 1 . H8 . . . . . 1 . C8 . . rr_1x2s 1 2 . 1 1 2 2 DA C8 C . . . 1 1 2 2 DA H8 H . . 7.498 . . . . . . . . A . 2 DA H8 . . A . 2 DA C8 . . . 2 . H8 . . . . . 2 . C8 . . rr_1x2s 1 3 . 1 1 2 2 DA C2 C . . . 1 1 2 2 DA H2 H . . 11.089 . . . . . . . . A . 2 DA C2 . . A . 2 DA H2 . . . 2 . C2 . . . . . 2 . H2 . . rr_1x2s 1 4 . 1 1 3 3 DC C5 C . . . 1 1 3 3 DC H5 H . . 3.527 . . . . . . . . A . 3 DC C5 . . A . 3 DC H5 . . . 3 . C5 . . . . . 3 . H5 . . rr_1x2s 1 5 . 1 1 4 4 DT C6 C . . . 1 1 4 4 DT H6 H . . 11.912 . . . . . . . . A . 4 DT C6 . . A . 4 DT H6 . . . 4 . C6 . . . . . 4 . H6 . . rr_1x2s 1 6 . 1 1 6 6 DT C6 C . . . 1 1 6 6 DT H6 H . . 13.355 . . . . . . . . A . 6 DT H6 . . A . 6 DT C6 . . . 6 . H6 . . . . . 6 . C6 . . rr_1x2s 1 7 . 1 1 7 7 DA C8 C . . . 1 1 7 7 DA H8 H . . 10.151 . . . . . . . . A . 7 DA H8 . . A . 7 DA C8 . . . 7 . H8 . . . . . 7 . C8 . . rr_1x2s 1 8 . 1 1 7 7 DA C2 C . . . 1 1 7 7 DA H2 H . . 12.218 . . . . . . . . A . 7 DA C2 . . A . 7 DA H2 . . . 7 . C2 . . . . . 7 . H2 . . rr_1x2s 1 9 . 1 1 8 8 DC C6 C . . . 1 1 8 8 DC H6 H . . 13.497 . . . . . . . . A . 8 DC H6 . . A . 8 DC C6 . . . 8 . H6 . . . . . 8 . C6 . . rr_1x2s 1 10 . 1 1 8 8 DC C5 C . . . 1 1 8 8 DC H5 H . . 13.526 . . . . . . . . A . 8 DC C5 . . A . 8 DC H5 . . . 8 . C5 . . . . . 8 . H5 . . rr_1x2s 1 11 . 1 1 9 9 DA C8 C . . . 1 1 9 9 DA H8 H . . 13.279 . . . . . . . . A . 9 DA H8 . . A . 9 DA C8 . . . 9 . H8 . . . . . 9 . C8 . . rr_1x2s 1 12 . 1 1 9 9 DA C2 C . . . 1 1 9 9 DA H2 H . . 7.313 . . . . . . . . A . 9 DA C2 . . A . 9 DA H2 . . . 9 . C2 . . . . . 9 . H2 . . rr_1x2s 1 13 . 1 1 10 10 DG C8 C . . . 1 1 10 10 DG H8 H . . 9.298 . . . . . . . . A . 10 DG H8 . . A . 10 DG C8 . . . 10 . H8 . . . . . 10 . C8 . . rr_1x2s 1 14 . 1 1 11 11 DT C6 C . . . 1 1 11 11 DT H6 H . . 10.960 . . . . . . . . A . 11 DT H6 . . A . 11 DT C6 . . . 11 . H6 . . . . . 11 . C6 . . rr_1x2s 1 15 . 1 1 12 12 DC C6 C . . . 1 1 12 12 DC H6 H . . 2.779 . . . . . . . . A . 12 DC H6 . . A . 12 DC C6 . . . 12 . H6 . . . . . 12 . C6 . . rr_1x2s 1 16 . 1 1 12 12 DC C5 C . . . 1 1 12 12 DC H5 H . . 6.079 . . . . . . . . A . 12 DC C5 . . A . 12 DC H5 . . . 12 . C5 . . . . . 12 . H5 . . rr_1x2s 1 17 . 2 1 1 1 DG C8 C . . . 2 1 1 1 DG H8 H . . 12.110 . . . . . . . . B . 13 DG H8 . . B . 13 DG C8 . . . 13 . H8 . . . . . 13 . C8 . . rr_1x2s 1 18 . 2 1 2 2 DA C8 C . . . 2 1 2 2 DA H8 H . . 7.498 . . . . . . . . B . 14 DA H8 . . B . 14 DA C8 . . . 14 . H8 . . . . . 14 . C8 . . rr_1x2s 1 19 . 2 1 2 2 DA C2 C . . . 2 1 2 2 DA H2 H . . 11.089 . . . . . . . . B . 14 DA C2 . . B . 14 DA H2 . . . 14 . C2 . . . . . 14 . H2 . . rr_1x2s 1 20 . 2 1 3 3 DC C5 C . . . 2 1 3 3 DC H5 H . . 3.527 . . . . . . . . B . 15 DC C5 . . B . 15 DC H5 . . . 15 . C5 . . . . . 15 . H5 . . rr_1x2s 1 21 . 2 1 4 4 DT C6 C . . . 2 1 4 4 DT H6 H . . 11.912 . . . . . . . . B . 16 DT C6 . . B . 16 DT H6 . . . 16 . C6 . . . . . 16 . H6 . . rr_1x2s 1 22 . 2 1 6 6 DT C6 C . . . 2 1 6 6 DT H6 H . . 13.355 . . . . . . . . B . 18 DT H6 . . B . 18 DT C6 . . . 18 . H6 . . . . . 18 . C6 . . rr_1x2s 1 23 . 2 1 7 7 DA C8 C . . . 2 1 7 7 DA H8 H . . 10.151 . . . . . . . . B . 19 DA H8 . . B . 19 DA C8 . . . 19 . H8 . . . . . 19 . C8 . . rr_1x2s 1 24 . 2 1 7 7 DA C2 C . . . 2 1 7 7 DA H2 H . . 12.218 . . . . . . . . B . 19 DA C2 . . B . 19 DA H2 . . . 19 . C2 . . . . . 19 . H2 . . rr_1x2s 1 25 . 2 1 8 8 DC C6 C . . . 2 1 8 8 DC H6 H . . 13.497 . . . . . . . . B . 20 DC H6 . . B . 20 DC C6 . . . 20 . H6 . . . . . 20 . C6 . . rr_1x2s 1 26 . 2 1 8 8 DC C5 C . . . 2 1 8 8 DC H5 H . . 13.526 . . . . . . . . B . 20 DC C5 . . B . 20 DC H5 . . . 20 . C5 . . . . . 20 . H5 . . rr_1x2s 1 27 . 2 1 9 9 DA C8 C . . . 2 1 9 9 DA H8 H . . 13.279 . . . . . . . . B . 21 DA H8 . . B . 21 DA C8 . . . 21 . H8 . . . . . 21 . C8 . . rr_1x2s 1 28 . 2 1 9 9 DA C2 C . . . 2 1 9 9 DA H2 H . . 7.313 . . . . . . . . B . 21 DA C2 . . B . 21 DA H2 . . . 21 . C2 . . . . . 21 . H2 . . rr_1x2s 1 29 . 2 1 10 10 DG C8 C . . . 2 1 10 10 DG H8 H . . 9.298 . . . . . . . . B . 22 DG H8 . . B . 22 DG C8 . . . 22 . H8 . . . . . 22 . C8 . . rr_1x2s 1 30 . 2 1 11 11 DT C6 C . . . 2 1 11 11 DT H6 H . . 10.960 . . . . . . . . B . 23 DT H6 . . B . 23 DT C6 . . . 23 . H6 . . . . . 23 . C6 . . rr_1x2s 1 31 . 2 1 12 12 DC C6 C . . . 2 1 12 12 DC H6 H . . 2.779 . . . . . . . . B . 24 DC H6 . . B . 24 DC C6 . . . 24 . H6 . . . . . 24 . C6 . . rr_1x2s 1 32 . 2 1 12 12 DC C5 C . . . 2 1 12 12 DC H5 H . . 6.079 . . . . . . . . B . 24 DC C5 . . B . 24 DC H5 . . . 24 . C5 . . . . . 24 . H5 . . rr_1x2s 1 33 . 1 1 1 1 DG C1' C . . . 1 1 1 1 DG H1' H . . 5.220 . . . . . . . . A . 1 DG H1' . . A . 1 DG C1' . . . 1 . H1' . . . . . 1 . C1' . . rr_1x2s 1 34 . 1 1 2 2 DA C1' C . . . 1 1 2 2 DA H1' H . . 5.847 . . . . . . . . A . 2 DA H1' . . A . 2 DA C1' . . . 2 . H1' . . . . . 2 . C1' . . rr_1x2s 1 35 . 1 1 4 4 DT C1' C . . . 1 1 4 4 DT H1' H . . 8.217 . . . . . . . . A . 4 DT H1' . . A . 4 DT C1' . . . 4 . H1' . . . . . 4 . C1' . . rr_1x2s 1 36 . 1 1 7 7 DA C1' C . . . 1 1 7 7 DA H1' H . . 9.343 . . . . . . . . A . 7 DA H1' . . A . 7 DA C1' . . . 7 . H1' . . . . . 7 . C1' . . rr_1x2s 1 37 . 1 1 8 8 DC C1' C . . . 1 1 8 8 DC H1' H . . 7.561 . . . . . . . . A . 8 DC H1' . . A . 8 DC C1' . . . 8 . H1' . . . . . 8 . C1' . . rr_1x2s 1 38 . 1 1 9 9 DA C1' C . . . 1 1 9 9 DA H1' H . . 9.811 . . . . . . . . A . 9 DA H1' . . A . 9 DA C1' . . . 9 . H1' . . . . . 9 . C1' . . rr_1x2s 1 39 . 1 1 10 10 DG C1' C . . . 1 1 10 10 DG H1' H . . 5.786 . . . . . . . . A . 10 DG H1' . . A . 10 DG C1' . . . 10 . H1' . . . . . 10 . C1' . . rr_1x2s 1 40 . 1 1 12 12 DC C1' C . . . 1 1 12 12 DC H1' H . . 2.116 . . . . . . . . A . 12 DC H1' . . A . 12 DC C1' . . . 12 . H1' . . . . . 12 . C1' . . rr_1x2s 1 41 . 2 1 1 1 DG C1' C . . . 2 1 1 1 DG H1' H . . 5.220 . . . . . . . . B . 13 DG H1' . . B . 13 DG C1' . . . 13 . H1' . . . . . 13 . C1' . . rr_1x2s 1 42 . 2 1 2 2 DA C1' C . . . 2 1 2 2 DA H1' H . . 5.847 . . . . . . . . B . 14 DA H1' . . B . 14 DA C1' . . . 14 . H1' . . . . . 14 . C1' . . rr_1x2s 1 43 . 2 1 4 4 DT C1' C . . . 2 1 4 4 DT H1' H . . 8.217 . . . . . . . . B . 16 DT H1' . . B . 16 DT C1' . . . 16 . H1' . . . . . 16 . C1' . . rr_1x2s 1 44 . 2 1 7 7 DA C1' C . . . 2 1 7 7 DA H1' H . . 9.343 . . . . . . . . B . 19 DA H1' . . B . 19 DA C1' . . . 19 . H1' . . . . . 19 . C1' . . rr_1x2s 1 45 . 2 1 8 8 DC C1' C . . . 2 1 8 8 DC H1' H . . 7.561 . . . . . . . . B . 20 DC H1' . . B . 20 DC C1' . . . 20 . H1' . . . . . 20 . C1' . . rr_1x2s 1 46 . 2 1 9 9 DA C1' C . . . 2 1 9 9 DA H1' H . . 9.811 . . . . . . . . B . 21 DA H1' . . B . 21 DA C1' . . . 21 . H1' . . . . . 21 . C1' . . rr_1x2s 1 47 . 2 1 10 10 DG C1' C . . . 2 1 10 10 DG H1' H . . 5.786 . . . . . . . . B . 22 DG H1' . . B . 22 DG C1' . . . 22 . H1' . . . . . 22 . C1' . . rr_1x2s 1 48 . 2 1 12 12 DC C1' C . . . 2 1 12 12 DC H1' H . . 2.116 . . . . . . . . B . 24 DC H1' . . B . 24 DC C1' . . . 24 . H1' . . . . . 24 . C1' . . rr_1x2s 1 49 . 1 1 1 1 DG C4' C . . . 1 1 1 1 DG H4' H . . 3.762 . . . . . . . . A . 1 DG C4' . . A . 1 DG H4' . . . 1 . C4' . . . . . 1 . H4' . . rr_1x2s 1 50 . 2 1 1 1 DG C4' C . . . 2 1 1 1 DG H4' H . . 3.762 . . . . . . . . B . 13 DG C4' . . B . 13 DG H4' . . . 13 . C4' . . . . . 13 . H4' . . rr_1x2s 1 51 . 1 1 12 12 DC C4' C . . . 1 1 12 12 DC H4' H . . 1.496 . . . . . . . . A . 12 DC C4' . . A . 12 DC H4' . . . 12 . C4' . . . . . 12 . H4' . . rr_1x2s 1 52 . 2 1 12 12 DC C4' C . . . 2 1 12 12 DC H4' H . . 1.496 . . . . . . . . B . 24 DC C4' . . B . 24 DC H4' . . . 24 . C4' . . . . . 24 . H4' . . rr_1x2s 1 stop_ loop_ _RDC_constraint_comment_org.ID _RDC_constraint_comment_org.Comment_text _RDC_constraint_comment_org.Comment_begin_line _RDC_constraint_comment_org.Comment_begin_column _RDC_constraint_comment_org.Comment_end_line _RDC_constraint_comment_org.Comment_end_column _RDC_constraint_comment_org.Entry_ID _RDC_constraint_comment_org.RDC_constraint_list_ID 1 ; !ADN avec PF1, programme de xwinnmr pour les de RDC !C-H region aromatique ; 2 1 3 24 rr_1x2s 1 2 ; assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 3 and name C6 ) ( resid 3 and name H6 ) 11.135 2.500 ; 28 1 33 97 rr_1x2s 1 3 ; assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 5 and name C8 ) ( resid 5 and name H8 ) 2.472 2.500 ; 51 1 56 81 rr_1x2s 1 4 ; assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 15 and name C6 ) ( resid 15 and name H6 ) 11.135 2.500 ; 167 1 172 71 rr_1x2s 1 5 ; assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 17 and name C8 ) ( resid 17 and name H8 ) 2.472 2.500 ; 194 1 199 74 rr_1x2s 1 6 ; assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 3 and name C1' ) ( resid 3 and name H1' ) -1.134 2.500 ; 302 1 307 64 rr_1x2s 1 7 ; assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 5 and name C1' ) ( resid 5 and name H1' ) 4.865 2.500 assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 6 and name C1' ) ( resid 6 and name H1' ) 5.248 2.500 ; 316 1 328 63 rr_1x2s 1 8 ; assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 11 and name C1' ) ( resid 11 and name H1' ) 3.08 2.500 ; 359 1 364 56 rr_1x2s 1 9 ; assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 15 and name C1' ) ( resid 15 and name H1' ) -1.134 2.500 ; 388 1 393 64 rr_1x2s 1 10 ; assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 17 and name C1' ) ( resid 17 and name H1' ) 4.865 2.500 assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 18 and name C1' ) ( resid 18 and name H1' ) 5.248 2.500 ; 402 1 414 61 rr_1x2s 1 11 ; assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 23 and name C1' ) ( resid 23 and name H1' ) 3.08 2.500 ; 445 1 450 54 rr_1x2s 1 12 ; assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 2 and name C4' ) ( resid 2 and name H4' ) -0.569 3.000 assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 14 and name C4' ) ( resid 14 and name H4' ) -0.569 3.000 assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 3 and name C4' ) ( resid 3 and name H4' ) -4.952 2.500 assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 15 and name C4' ) ( resid 15 and name H4' ) -4.952 2.500 assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 5 and name C4' ) ( resid 5 and name H4' ) 4.573 2.500 assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 17 and name C4' ) ( resid 17 and name H4' ) 4.573 2.500 assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 8 and name C4' ) ( resid 8 and name H4' ) 6.888 2.500 assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 20 and name C4' ) ( resid 20 and name H4' ) 6.888 2.500 ; 474 1 535 55 rr_1x2s 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 rr_1x2s _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-APR-05 1X2S *TITLE NMR SOLUTION STRUCTURES OF A DNA DODECAMER CONTAINING A *TITLE 2 TANDEM GT MISMATCHES USING NOE AND RESIDUAL DIPOLAR *TITLE 3 COUPLINGS *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: 5'-D(*GP*AP*CP*TP*GP*TP*AP*CP*AP*GP*TP*C)-3'; *COMPND 3 CHAIN: A, B; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES *KEYWDS NMR, RDC, DEOXYRIBONUCLEIC ACID, LIQUID CRYSTAL *EXPDTA NMR *AUTHOR F.ALVAREZ-SALGADO, H.DESVAUX, Y.BOULARD *REVDAT 1 01-AUG-06 1X2S 0" save_