data_Remediated_restraints_file_for_PDB_entry_1x2y # This BMRB archive file contains, for PDB entry 1x2y: # # - 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_1x2y _Entry.Title 'wwPDB remediated NMR restraints for PDB entry 1x2y' _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 1x2y' _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 1x2y 'Master copy' rr_1x2y stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_1x2y _Assembly.ID 1 _Assembly.Name 1x2y _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 7464.67044 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 GP CP AP GP TP C 3' 1 $5__D__GP_AP_CP_TP_GP_TP_GP_CP_AP_GP_TP_C__3_ A . no . . . . . . rr_1x2y 1 2 '5 D GP AP CP TP GP TP GP CP AP GP TP C 3' 1 $5__D__GP_AP_CP_TP_GP_TP_GP_CP_AP_GP_TP_C__3_ B . no . . . . . . rr_1x2y 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_5__D__GP_AP_CP_TP_GP_TP_GP_CP_AP_GP_TP_C__3_ _Entity.Sf_category entity _Entity.Sf_framecode 5__D__GP_AP_CP_TP_GP_TP_GP_CP_AP_GP_TP_C__3_ _Entity.Entry_ID rr_1x2y _Entity.ID 1 _Entity.Name 5__D__GP_AP_CP_TP_GP_TP_GP_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 GACTGTGCAGTC _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 3732.33522 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_1x2y 1 2 . DA . rr_1x2y 1 3 . DC . rr_1x2y 1 4 . DT . rr_1x2y 1 5 . DG . rr_1x2y 1 6 . DT . rr_1x2y 1 7 . DG . rr_1x2y 1 8 . DC . rr_1x2y 1 9 . DA . rr_1x2y 1 10 . DG . rr_1x2y 1 11 . DT . rr_1x2y 1 12 . DC . rr_1x2y 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_1x2y 1 . DA 2 2 rr_1x2y 1 . DC 3 3 rr_1x2y 1 . DT 4 4 rr_1x2y 1 . DG 5 5 rr_1x2y 1 . DT 6 6 rr_1x2y 1 . DG 7 7 rr_1x2y 1 . DC 8 8 rr_1x2y 1 . DA 9 9 rr_1x2y 1 . DG 10 10 rr_1x2y 1 . DT 11 11 rr_1x2y 1 . DC 12 12 rr_1x2y 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_1x2y _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_1x2y _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_1x2y 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_1x2y 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 -16.894 9.230 -1.562 . . . 1.0 . . . . . . . . . . . . A . 1 DG C1' . . . . . . . . . rr_1x2y 1 . 1 . 2 . 1 1 1 DG C2 C -13.977 11.656 0.533 . . . 1.0 . . . . . . . . . . . . A . 1 DG C2 . . . . . . . . . rr_1x2y 1 . 1 . 3 . 1 1 1 DG C2' C -16.640 7.895 -2.223 . . . 1.0 . . . . . . . . . . . . A . 1 DG C2' . . . . . . . . . rr_1x2y 1 . 1 . 4 . 1 1 1 DG C3' C -17.592 7.971 -3.401 . . . 1.0 . . . . . . . . . . . . A . 1 DG C3' . . . . . . . . . rr_1x2y 1 . 1 . 5 . 1 1 1 DG C4 C -15.561 10.116 0.396 . . . 1.0 . . . . . . . . . . . . A . 1 DG C4 . . . . . . . . . rr_1x2y 1 . 1 . 6 . 1 1 1 DG C4' C -18.786 8.745 -2.848 . . . 1.0 . . . . . . . . . . . . A . 1 DG C4' . . . . . . . . . rr_1x2y 1 . 1 . 7 . 1 1 1 DG C5 C -15.551 9.812 1.741 . . . 1.0 . . . . . . . . . . . . A . 1 DG C5 . . . . . . . . . rr_1x2y 1 . 1 . 8 . 1 1 1 DG C5' C -19.966 7.897 -2.432 . . . 1.0 . . . . . . . . . . . . A . 1 DG C5' . . . . . . . . . rr_1x2y 1 . 1 . 9 . 1 1 1 DG C6 C -14.654 10.507 2.592 . . . 1.0 . . . . . . . . . . . . A . 1 DG C6 . . . . . . . . . rr_1x2y 1 . 1 . 10 . 1 1 1 DG C8 C -17.028 8.552 0.874 . . . 1.0 . . . . . . . . . . . . A . 1 DG C8 . . . . . . . . . rr_1x2y 1 . 1 . 11 . 1 1 1 DG H1 H -13.218 11.978 2.404 . . . 1.0 . . . . . . . . . . . . A . 1 DG H1 . . . . . . . . . rr_1x2y 1 . 1 . 12 . 1 1 1 DG H1' H -16.399 10.045 -2.095 . . . 1.0 . . . . . . . . . . . . A . 1 DG H1' . . . . . . . . . rr_1x2y 1 . 1 . 13 . 1 1 1 DG H2' H -16.886 7.058 -1.568 . . . 1.0 . . . . . . . . . . . . A . 1 DG H2' . . . . . . . . . rr_1x2y 1 . 1 . 14 . 1 1 1 DG H2'' H -15.606 7.800 -2.549 . . . 1.0 . . . . . . . . . . . . A . 1 DG H2'' . . . . . . . . . rr_1x2y 1 . 1 . 15 . 1 1 1 DG H21 H -12.517 13.079 0.642 . . . 1.0 . . . . . . . . . . . . A . 1 DG H21 . . . . . . . . . rr_1x2y 1 . 1 . 16 . 1 1 1 DG H22 H -13.172 12.799 -0.955 . . . 1.0 . . . . . . . . . . . . A . 1 DG H22 . . . . . . . . . rr_1x2y 1 . 1 . 17 . 1 1 1 DG H3' H -17.883 6.983 -3.765 . . . 1.0 . . . . . . . . . . . . A . 1 DG H3' . . . . . . . . . rr_1x2y 1 . 1 . 18 . 1 1 1 DG H4' H -19.124 9.413 -3.641 . . . 1.0 . . . . . . . . . . . . A . 1 DG H4' . . . . . . . . . rr_1x2y 1 . 1 . 19 . 1 1 1 DG H5' H -20.757 8.546 -2.053 . . . 1.0 . . . . . . . . . . . . A . 1 DG H5' . . . . . . . . . rr_1x2y 1 . 1 . 20 . 1 1 1 DG H5'' H -20.338 7.362 -3.304 . . . 1.0 . . . . . . . . . . . . A . 1 DG H5'' . . . . . . . . . rr_1x2y 1 . 1 . 21 . 1 1 1 DG H8 H -17.823 7.833 0.745 . . . 1.0 . . . . . . . . . . . . A . 1 DG H8 . . . . . . . . . rr_1x2y 1 . 1 . 22 . 1 1 1 DG HO5' H -19.169 7.462 -0.713 . . . 1.0 . . . . . . . . . . . . A . 1 DG HO5' . . . . . . . . . rr_1x2y 1 . 1 . 23 . 1 1 1 DG N1 N -13.889 11.430 1.885 . . . 1.0 . . . . . . . . . . . . A . 1 DG N1 . . . . . . . . . rr_1x2y 1 . 1 . 24 . 1 1 1 DG N2 N -13.154 12.588 0.032 . . . 1.0 . . . . . . . . . . . . A . 1 DG N2 . . . . . . . . . rr_1x2y 1 . 1 . 25 . 1 1 1 DG N3 N -14.809 11.017 -0.270 . . . 1.0 . . . . . . . . . . . . A . 1 DG N3 . . . . . . . . . rr_1x2y 1 . 1 . 26 . 1 1 1 DG N7 N -16.481 8.821 2.028 . . . 1.0 . . . . . . . . . . . . A . 1 DG N7 . . . . . . . . . rr_1x2y 1 . 1 . 27 . 1 1 1 DG N9 N -16.514 9.296 -0.156 . . . 1.0 . . . . . . . . . . . . A . 1 DG N9 . . . . . . . . . rr_1x2y 1 . 1 . 28 . 1 1 1 DG O3' O -17.009 8.665 -4.505 . . . 1.0 . . . . . . . . . . . . A . 1 DG O3' . . . . . . . . . rr_1x2y 1 . 1 . 29 . 1 1 1 DG O4' O -18.283 9.446 -1.673 . . . 1.0 . . . . . . . . . . . . A . 1 DG O4' . . . . . . . . . rr_1x2y 1 . 1 . 30 . 1 1 1 DG O5' O -19.586 6.963 -1.419 . . . 1.0 . . . . . . . . . . . . A . 1 DG O5' . . . . . . . . . rr_1x2y 1 . 1 . 31 . 1 1 1 DG O6 O -14.496 10.382 3.813 . . . 1.0 . . . . . . . . . . . . A . 1 DG O6 . . . . . . . . . rr_1x2y 1 . 1 . 32 . 1 1 2 DA C1' C -11.512 10.461 -2.447 . . . 1.0 . . . . . . . . . . . . A . 2 DA C1' . . . . . . . . . rr_1x2y 1 . 1 . 33 . 1 1 2 DA C2 C -9.144 11.655 1.034 . . . 1.0 . . . . . . . . . . . . A . 2 DA C2 . . . . . . . . . rr_1x2y 1 . 1 . 34 . 1 1 2 DA C2' C -11.368 9.352 -3.461 . . . 1.0 . . . . . . . . . . . . A . 2 DA C2' . . . . . . . . . rr_1x2y 1 . 1 . 35 . 1 1 2 DA C3' C -12.000 9.976 -4.693 . . . 1.0 . . . . . . . . . . . . A . 2 DA C3' . . . . . . . . . rr_1x2y 1 . 1 . 36 . 1 1 2 DA C4 C -10.669 10.498 -0.051 . . . 1.0 . . . . . . . . . . . . A . 2 DA C4 . . . . . . . . . rr_1x2y 1 . 1 . 37 . 1 1 2 DA C4' C -13.083 10.892 -4.125 . . . 1.0 . . . . . . . . . . . . A . 2 DA C4' . . . . . . . . . rr_1x2y 1 . 1 . 38 . 1 1 2 DA C5 C -11.010 9.780 1.080 . . . 1.0 . . . . . . . . . . . . A . 2 DA C5 . . . . . . . . . rr_1x2y 1 . 1 . 39 . 1 1 2 DA C5' C -14.501 10.380 -4.248 . . . 1.0 . . . . . . . . . . . . A . 2 DA C5' . . . . . . . . . rr_1x2y 1 . 1 . 40 . 1 1 2 DA C6 C -10.316 10.085 2.263 . . . 1.0 . . . . . . . . . . . . A . 2 DA C6 . . . . . . . . . rr_1x2y 1 . 1 . 41 . 1 1 2 DA C8 C -12.251 9.047 -0.481 . . . 1.0 . . . . . . . . . . . . A . 2 DA C8 . . . . . . . . . rr_1x2y 1 . 1 . 42 . 1 1 2 DA H1' H -10.759 11.239 -2.587 . . . 1.0 . . . . . . . . . . . . A . 2 DA H1' . . . . . . . . . rr_1x2y 1 . 1 . 43 . 1 1 2 DA H2 H -8.356 12.408 1.042 . . . 1.0 . . . . . . . . . . . . A . 2 DA H2 . . . . . . . . . rr_1x2y 1 . 1 . 44 . 1 1 2 DA H2' H -11.895 8.448 -3.160 . . . 1.0 . . . . . . . . . . . . A . 2 DA H2' . . . . . . . . . rr_1x2y 1 . 1 . 45 . 1 1 2 DA H2'' H -10.320 9.114 -3.623 . . . 1.0 . . . . . . . . . . . . A . 2 DA H2'' . . . . . . . . . rr_1x2y 1 . 1 . 46 . 1 1 2 DA H3' H -12.419 9.227 -5.369 . . . 1.0 . . . . . . . . . . . . A . 2 DA H3' . . . . . . . . . rr_1x2y 1 . 1 . 47 . 1 1 2 DA H4' H -13.026 11.826 -4.686 . . . 1.0 . . . . . . . . . . . . A . 2 DA H4' . . . . . . . . . rr_1x2y 1 . 1 . 48 . 1 1 2 DA H5' H -15.083 10.731 -3.395 . . . 1.0 . . . . . . . . . . . . A . 2 DA H5' . . . . . . . . . rr_1x2y 1 . 1 . 49 . 1 1 2 DA H5'' H -14.940 10.775 -5.163 . . . 1.0 . . . . . . . . . . . . A . 2 DA H5'' . . . . . . . . . rr_1x2y 1 . 1 . 50 . 1 1 2 DA H61 H -10.008 9.744 4.248 . . . 1.0 . . . . . . . . . . . . A . 2 DA H61 . . . . . . . . . rr_1x2y 1 . 1 . 51 . 1 1 2 DA H62 H -11.244 8.758 3.499 . . . 1.0 . . . . . . . . . . . . A . 2 DA H62 . . . . . . . . . rr_1x2y 1 . 1 . 52 . 1 1 2 DA H8 H -12.981 8.477 -1.035 . . . 1.0 . . . . . . . . . . . . A . 2 DA H8 . . . . . . . . . rr_1x2y 1 . 1 . 53 . 1 1 2 DA N1 N -9.369 11.047 2.206 . . . 1.0 . . . . . . . . . . . . A . 2 DA N1 . . . . . . . . . rr_1x2y 1 . 1 . 54 . 1 1 2 DA N3 N -9.736 11.461 -0.143 . . . 1.0 . . . . . . . . . . . . A . 2 DA N3 . . . . . . . . . rr_1x2y 1 . 1 . 55 . 1 1 2 DA N6 N -10.540 9.480 3.432 . . . 1.0 . . . . . . . . . . . . A . 2 DA N6 . . . . . . . . . rr_1x2y 1 . 1 . 56 . 1 1 2 DA N7 N -12.014 8.865 0.796 . . . 1.0 . . . . . . . . . . . . A . 2 DA N7 . . . . . . . . . rr_1x2y 1 . 1 . 57 . 1 1 2 DA N9 N -11.479 10.022 -1.054 . . . 1.0 . . . . . . . . . . . . A . 2 DA N9 . . . . . . . . . rr_1x2y 1 . 1 . 58 . 1 1 2 DA O3' O -11.058 10.735 -5.450 . . . 1.0 . . . . . . . . . . . . A . 2 DA O3' . . . . . . . . . rr_1x2y 1 . 1 . 59 . 1 1 2 DA O4' O -12.767 11.047 -2.711 . . . 1.0 . . . . . . . . . . . . A . 2 DA O4' . . . . . . . . . rr_1x2y 1 . 1 . 60 . 1 1 2 DA O5' O -14.510 8.954 -4.283 . . . 1.0 . . . . . . . . . . . . A . 2 DA O5' . . . . . . . . . rr_1x2y 1 . 1 . 61 . 1 1 2 DA OP1 O -15.550 8.641 -6.526 . . . 1.0 . . . . . . . . . . . . A . 2 DA OP1 . . . . . . . . . rr_1x2y 1 . 1 . 62 . 1 1 2 DA OP2 O -15.459 6.711 -4.836 . . . 1.0 . . . . . . . . . . . . A . 2 DA OP2 . . . . . . . . . rr_1x2y 1 . 1 . 63 . 1 1 2 DA P P -15.610 8.161 -5.122 . . . 1.0 . . . . . . . . . . . . A . 2 DA P . . . . . . . . . rr_1x2y 1 . 1 . 64 . 1 1 3 DC C1' C -6.318 11.084 -2.583 . . . 1.0 . . . . . . . . . . . . A . 3 DC C1' . . . . . . . . . rr_1x2y 1 . 1 . 65 . 1 1 3 DC C2 C -6.459 10.161 -0.292 . . . 1.0 . . . . . . . . . . . . A . 3 DC C2 . . . . . . . . . rr_1x2y 1 . 1 . 66 . 1 1 3 DC C2' C -5.701 10.444 -3.809 . . . 1.0 . . . . . . . . . . . . A . 3 DC C2' . . . . . . . . . rr_1x2y 1 . 1 . 67 . 1 1 3 DC C3' C -5.813 11.549 -4.842 . . . 1.0 . . . . . . . . . . . . A . 3 DC C3' . . . . . . . . . rr_1x2y 1 . 1 . 68 . 1 1 3 DC C4 C -7.946 8.442 0.212 . . . 1.0 . . . . . . . . . . . . A . 3 DC C4 . . . . . . . . . rr_1x2y 1 . 1 . 69 . 1 1 3 DC C4' C -7.068 12.315 -4.433 . . . 1.0 . . . . . . . . . . . . A . 3 DC C4' . . . . . . . . . rr_1x2y 1 . 1 . 70 . 1 1 3 DC C5 C -8.421 8.400 -1.131 . . . 1.0 . . . . . . . . . . . . A . 3 DC C5 . . . . . . . . . rr_1x2y 1 . 1 . 71 . 1 1 3 DC C5' C -8.301 12.015 -5.251 . . . 1.0 . . . . . . . . . . . . A . 3 DC C5' . . . . . . . . . rr_1x2y 1 . 1 . 72 . 1 1 3 DC C6 C -7.878 9.258 -2.005 . . . 1.0 . . . . . . . . . . . . A . 3 DC C6 . . . . . . . . . rr_1x2y 1 . 1 . 73 . 1 1 3 DC H1' H -5.594 11.707 -2.055 . . . 1.0 . . . . . . . . . . . . A . 3 DC H1' . . . . . . . . . rr_1x2y 1 . 1 . 74 . 1 1 3 DC H2' H -6.240 9.551 -4.124 . . . 1.0 . . . . . . . . . . . . A . 3 DC H2' . . . . . . . . . rr_1x2y 1 . 1 . 75 . 1 1 3 DC H2'' H -4.661 10.183 -3.618 . . . 1.0 . . . . . . . . . . . . A . 3 DC H2'' . . . . . . . . . rr_1x2y 1 . 1 . 76 . 1 1 3 DC H3' H -5.894 11.158 -5.859 . . . 1.0 . . . . . . . . . . . . A . 3 DC H3' . . . . . . . . . rr_1x2y 1 . 1 . 77 . 1 1 3 DC H4' H -6.841 13.374 -4.560 . . . 1.0 . . . . . . . . . . . . A . 3 DC H4' . . . . . . . . . rr_1x2y 1 . 1 . 78 . 1 1 3 DC H41 H -8.112 7.640 2.077 . . . 1.0 . . . . . . . . . . . . A . 3 DC H41 . . . . . . . . . rr_1x2y 1 . 1 . 79 . 1 1 3 DC H42 H -9.168 6.950 0.865 . . . 1.0 . . . . . . . . . . . . A . 3 DC H42 . . . . . . . . . rr_1x2y 1 . 1 . 80 . 1 1 3 DC H5 H -9.196 7.697 -1.436 . . . 1.0 . . . . . . . . . . . . A . 3 DC H5 . . . . . . . . . rr_1x2y 1 . 1 . 81 . 1 1 3 DC H5' H -9.156 12.535 -4.815 . . . 1.0 . . . . . . . . . . . . A . 3 DC H5' . . . . . . . . . rr_1x2y 1 . 1 . 82 . 1 1 3 DC H5'' H -8.148 12.377 -6.267 . . . 1.0 . . . . . . . . . . . . A . 3 DC H5'' . . . . . . . . . rr_1x2y 1 . 1 . 83 . 1 1 3 DC H6 H -8.211 9.246 -3.042 . . . 1.0 . . . . . . . . . . . . A . 3 DC H6 . . . . . . . . . rr_1x2y 1 . 1 . 84 . 1 1 3 DC N1 N -6.908 10.141 -1.618 . . . 1.0 . . . . . . . . . . . . A . 3 DC N1 . . . . . . . . . rr_1x2y 1 . 1 . 85 . 1 1 3 DC N3 N -6.997 9.299 0.600 . . . 1.0 . . . . . . . . . . . . A . 3 DC N3 . . . . . . . . . rr_1x2y 1 . 1 . 86 . 1 1 3 DC N4 N -8.449 7.610 1.126 . . . 1.0 . . . . . . . . . . . . A . 3 DC N4 . . . . . . . . . rr_1x2y 1 . 1 . 87 . 1 1 3 DC O2 O -5.576 10.970 0.032 . . . 1.0 . . . . . . . . . . . . A . 3 DC O2 . . . . . . . . . rr_1x2y 1 . 1 . 88 . 1 1 3 DC O3' O -4.670 12.402 -4.819 . . . 1.0 . . . . . . . . . . . . A . 3 DC O3' . . . . . . . . . rr_1x2y 1 . 1 . 89 . 1 1 3 DC O4' O -7.336 11.942 -3.051 . . . 1.0 . . . . . . . . . . . . A . 3 DC O4' . . . . . . . . . rr_1x2y 1 . 1 . 90 . 1 1 3 DC O5' O -8.551 10.612 -5.271 . . . 1.0 . . . . . . . . . . . . A . 3 DC O5' . . . . . . . . . rr_1x2y 1 . 1 . 91 . 1 1 3 DC OP1 O -9.651 10.471 -7.504 . . . 1.0 . . . . . . . . . . . . A . 3 DC OP1 . . . . . . . . . rr_1x2y 1 . 1 . 92 . 1 1 3 DC OP2 O -9.861 8.558 -5.806 . . . 1.0 . . . . . . . . . . . . A . 3 DC OP2 . . . . . . . . . rr_1x2y 1 . 1 . 93 . 1 1 3 DC P P -9.774 10.012 -6.097 . . . 1.0 . . . . . . . . . . . . A . 3 DC P . . . . . . . . . rr_1x2y 1 . 1 . 94 . 1 1 4 DT C1' C -1.414 10.597 -0.551 . . . 1.0 . . . . . . . . . . . . A . 4 DT C1' . . . . . . . . . rr_1x2y 1 . 1 . 95 . 1 1 4 DT C2 C -2.366 9.032 1.080 . . . 1.0 . . . . . . . . . . . . A . 4 DT C2 . . . . . . . . . rr_1x2y 1 . 1 . 96 . 1 1 4 DT C2' C -0.422 10.268 -1.645 . . . 1.0 . . . . . . . . . . . . A . 4 DT C2' . . . . . . . . . rr_1x2y 1 . 1 . 97 . 1 1 4 DT C3' C -0.069 11.642 -2.189 . . . 1.0 . . . . . . . . . . . . A . 4 DT C3' . . . . . . . . . rr_1x2y 1 . 1 . 98 . 1 1 4 DT C4 C -4.156 7.482 0.401 . . . 1.0 . . . . . . . . . . . . A . 4 DT C4 . . . . . . . . . rr_1x2y 1 . 1 . 99 . 1 1 4 DT C4' C -1.306 12.494 -1.907 . . . 1.0 . . . . . . . . . . . . A . 4 DT C4' . . . . . . . . . rr_1x2y 1 . 1 . 100 . 1 1 4 DT C5 C -4.086 8.029 -0.935 . . . 1.0 . . . . . . . . . . . . A . 4 DT C5 . . . . . . . . . rr_1x2y 1 . 1 . 101 . 1 1 4 DT C5' C -2.119 12.873 -3.122 . . . 1.0 . . . . . . . . . . . . A . 4 DT C5' . . . . . . . . . rr_1x2y 1 . 1 . 102 . 1 1 4 DT C6 C -3.200 9.006 -1.175 . . . 1.0 . . . . . . . . . . . . A . 4 DT C6 . . . . . . . . . rr_1x2y 1 . 1 . 103 . 1 1 4 DT C7 C -4.992 7.477 -1.990 . . . 1.0 . . . . . . . . . . . . A . 4 DT C7 . . . . . . . . . rr_1x2y 1 . 1 . 104 . 1 1 4 DT H1' H -0.910 10.914 0.361 . . . 1.0 . . . . . . . . . . . . A . 4 DT H1' . . . . . . . . . rr_1x2y 1 . 1 . 105 . 1 1 4 DT H2' H -0.856 9.635 -2.418 . . . 1.0 . . . . . . . . . . . . A . 4 DT H2' . . . . . . . . . rr_1x2y 1 . 1 . 106 . 1 1 4 DT H2'' H 0.451 9.770 -1.224 . . . 1.0 . . . . . . . . . . . . A . 4 DT H2'' . . . . . . . . . rr_1x2y 1 . 1 . 107 . 1 1 4 DT H3 H -3.308 7.663 2.248 . . . 1.0 . . . . . . . . . . . . A . 4 DT H3 . . . . . . . . . rr_1x2y 1 . 1 . 108 . 1 1 4 DT H3' H 0.166 11.616 -3.255 . . . 1.0 . . . . . . . . . . . . A . 4 DT H3' . . . . . . . . . rr_1x2y 1 . 1 . 109 . 1 1 4 DT H4' H -0.950 13.419 -1.452 . . . 1.0 . . . . . . . . . . . . A . 4 DT H4' . . . . . . . . . rr_1x2y 1 . 1 . 110 . 1 1 4 DT H5' H -3.041 13.360 -2.800 . . . 1.0 . . . . . . . . . . . . A . 4 DT H5' . . . . . . . . . rr_1x2y 1 . 1 . 111 . 1 1 4 DT H5'' H -1.544 13.572 -3.728 . . . 1.0 . . . . . . . . . . . . A . 4 DT H5'' . . . . . . . . . rr_1x2y 1 . 1 . 112 . 1 1 4 DT H6 H -3.141 9.418 -2.181 . . . 1.0 . . . . . . . . . . . . A . 4 DT H6 . . . . . . . . . rr_1x2y 1 . 1 . 113 . 1 1 4 DT H71 H -5.056 8.180 -2.820 . . . 1.0 . . . . . . . . . . . . A . 4 DT H71 . . . . . . . . . rr_1x2y 1 . 1 . 114 . 1 1 4 DT H72 H -5.986 7.319 -1.570 . . . 1.0 . . . . . . . . . . . . A . 4 DT H72 . . . . . . . . . rr_1x2y 1 . 1 . 115 . 1 1 4 DT H73 H -4.596 6.527 -2.349 . . . 1.0 . . . . . . . . . . . . A . 4 DT H73 . . . . . . . . . rr_1x2y 1 . 1 . 116 . 1 1 4 DT N1 N -2.356 9.513 -0.211 . . . 1.0 . . . . . . . . . . . . A . 4 DT N1 . . . . . . . . . rr_1x2y 1 . 1 . 117 . 1 1 4 DT N3 N -3.278 8.035 1.310 . . . 1.0 . . . . . . . . . . . . A . 4 DT N3 . . . . . . . . . rr_1x2y 1 . 1 . 118 . 1 1 4 DT O2 O -1.626 9.451 1.955 . . . 1.0 . . . . . . . . . . . . A . 4 DT O2 . . . . . . . . . rr_1x2y 1 . 1 . 119 . 1 1 4 DT O3' O 1.076 12.182 -1.530 . . . 1.0 . . . . . . . . . . . . A . 4 DT O3' . . . . . . . . . rr_1x2y 1 . 1 . 120 . 1 1 4 DT O4 O -4.927 6.596 0.758 . . . 1.0 . . . . . . . . . . . . A . 4 DT O4 . . . . . . . . . rr_1x2y 1 . 1 . 121 . 1 1 4 DT O4' O -2.148 11.702 -1.023 . . . 1.0 . . . . . . . . . . . . A . 4 DT O4' . . . . . . . . . rr_1x2y 1 . 1 . 122 . 1 1 4 DT O5' O -2.431 11.712 -3.888 . . . 1.0 . . . . . . . . . . . . A . 4 DT O5' . . . . . . . . . rr_1x2y 1 . 1 . 123 . 1 1 4 DT OP1 O -2.566 12.855 -6.102 . . . 1.0 . . . . . . . . . . . . A . 4 DT OP1 . . . . . . . . . rr_1x2y 1 . 1 . 124 . 1 1 4 DT OP2 O -3.429 10.457 -5.795 . . . 1.0 . . . . . . . . . . . . A . 4 DT OP2 . . . . . . . . . rr_1x2y 1 . 1 . 125 . 1 1 4 DT P P -3.233 11.829 -5.260 . . . 1.0 . . . . . . . . . . . . A . 4 DT P . . . . . . . . . rr_1x2y 1 . 1 . 126 . 1 1 5 DG C1' C 1.735 7.921 2.330 . . . 1.0 . . . . . . . . . . . . A . 5 DG C1' . . . . . . . . . rr_1x2y 1 . 1 . 127 . 1 1 5 DG C2 C -0.543 4.856 4.385 . . . 1.0 . . . . . . . . . . . . A . 5 DG C2 . . . . . . . . . rr_1x2y 1 . 1 . 128 . 1 1 5 DG C2' C 3.040 7.766 1.582 . . . 1.0 . . . . . . . . . . . . A . 5 DG C2' . . . . . . . . . rr_1x2y 1 . 1 . 129 . 1 1 5 DG C3' C 3.719 9.100 1.845 . . . 1.0 . . . . . . . . . . . . A . 5 DG C3' . . . . . . . . . rr_1x2y 1 . 1 . 130 . 1 1 5 DG C4 C -0.006 6.111 2.641 . . . 1.0 . . . . . . . . . . . . A . 5 DG C4 . . . . . . . . . rr_1x2y 1 . 1 . 131 . 1 1 5 DG C4' C 2.563 10.079 2.064 . . . 1.0 . . . . . . . . . . . . A . 5 DG C4' . . . . . . . . . rr_1x2y 1 . 1 . 132 . 1 1 5 DG C5 C -0.957 5.566 1.804 . . . 1.0 . . . . . . . . . . . . A . 5 DG C5 . . . . . . . . . rr_1x2y 1 . 1 . 133 . 1 1 5 DG C5' C 2.378 11.119 0.983 . . . 1.0 . . . . . . . . . . . . A . 5 DG C5' . . . . . . . . . rr_1x2y 1 . 1 . 134 . 1 1 5 DG C6 C -1.808 4.549 2.306 . . . 1.0 . . . . . . . . . . . . A . 5 DG C6 . . . . . . . . . rr_1x2y 1 . 1 . 135 . 1 1 5 DG C8 C 0.063 7.026 0.643 . . . 1.0 . . . . . . . . . . . . A . 5 DG C8 . . . . . . . . . rr_1x2y 1 . 1 . 136 . 1 1 5 DG H1 H -2.080 3.536 4.081 . . . 1.0 . . . . . . . . . . . . A . 5 DG H1 . . . . . . . . . rr_1x2y 1 . 1 . 137 . 1 1 5 DG H1' H 1.870 7.788 3.406 . . . 1.0 . . . . . . . . . . . . A . 5 DG H1' . . . . . . . . . rr_1x2y 1 . 1 . 138 . 1 1 5 DG H2' H 2.887 7.604 0.515 . . . 1.0 . . . . . . . . . . . . A . 5 DG H2' . . . . . . . . . rr_1x2y 1 . 1 . 139 . 1 1 5 DG H2'' H 3.620 6.939 1.989 . . . 1.0 . . . . . . . . . . . . A . 5 DG H2'' . . . . . . . . . rr_1x2y 1 . 1 . 140 . 1 1 5 DG H21 H -1.025 3.703 6.001 . . . 1.0 . . . . . . . . . . . . A . 5 DG H21 . . . . . . . . . rr_1x2y 1 . 1 . 141 . 1 1 5 DG H22 H 0.287 4.833 6.251 . . . 1.0 . . . . . . . . . . . . A . 5 DG H22 . . . . . . . . . rr_1x2y 1 . 1 . 142 . 1 1 5 DG H3' H 4.357 9.410 1.015 . . . 1.0 . . . . . . . . . . . . A . 5 DG H3' . . . . . . . . . rr_1x2y 1 . 1 . 143 . 1 1 5 DG H4' H 2.778 10.610 2.992 . . . 1.0 . . . . . . . . . . . . A . 5 DG H4' . . . . . . . . . rr_1x2y 1 . 1 . 144 . 1 1 5 DG H5' H 1.381 11.554 1.071 . . . 1.0 . . . . . . . . . . . . A . 5 DG H5' . . . . . . . . . rr_1x2y 1 . 1 . 145 . 1 1 5 DG H5'' H 3.120 11.905 1.118 . . . 1.0 . . . . . . . . . . . . A . 5 DG H5'' . . . . . . . . . rr_1x2y 1 . 1 . 146 . 1 1 5 DG H8 H 0.366 7.668 -0.170 . . . 1.0 . . . . . . . . . . . . A . 5 DG H8 . . . . . . . . . rr_1x2y 1 . 1 . 147 . 1 1 5 DG N1 N -1.522 4.252 3.635 . . . 1.0 . . . . . . . . . . . . A . 5 DG N1 . . . . . . . . . rr_1x2y 1 . 1 . 148 . 1 1 5 DG N2 N -0.416 4.428 5.650 . . . 1.0 . . . . . . . . . . . . A . 5 DG N2 . . . . . . . . . rr_1x2y 1 . 1 . 149 . 1 1 5 DG N3 N 0.255 5.807 3.930 . . . 1.0 . . . . . . . . . . . . A . 5 DG N3 . . . . . . . . . rr_1x2y 1 . 1 . 150 . 1 1 5 DG N7 N -0.901 6.152 0.547 . . . 1.0 . . . . . . . . . . . . A . 5 DG N7 . . . . . . . . . rr_1x2y 1 . 1 . 151 . 1 1 5 DG N9 N 0.646 7.057 1.886 . . . 1.0 . . . . . . . . . . . . A . 5 DG N9 . . . . . . . . . rr_1x2y 1 . 1 . 152 . 1 1 5 DG O3' O 4.553 9.037 3.002 . . . 1.0 . . . . . . . . . . . . A . 5 DG O3' . . . . . . . . . rr_1x2y 1 . 1 . 153 . 1 1 5 DG O4' O 1.362 9.262 2.130 . . . 1.0 . . . . . . . . . . . . A . 5 DG O4' . . . . . . . . . rr_1x2y 1 . 1 . 154 . 1 1 5 DG O5' O 2.531 10.526 -0.304 . . . 1.0 . . . . . . . . . . . . A . 5 DG O5' . . . . . . . . . rr_1x2y 1 . 1 . 155 . 1 1 5 DG O6 O -2.716 3.945 1.721 . . . 1.0 . . . . . . . . . . . . A . 5 DG O6 . . . . . . . . . rr_1x2y 1 . 1 . 156 . 1 1 5 DG OP1 O 3.569 12.432 -1.535 . . . 1.0 . . . . . . . . . . . . A . 5 DG OP1 . . . . . . . . . rr_1x2y 1 . 1 . 157 . 1 1 5 DG OP2 O 2.437 10.505 -2.795 . . . 1.0 . . . . . . . . . . . . A . 5 DG OP2 . . . . . . . . . rr_1x2y 1 . 1 . 158 . 1 1 5 DG P P 2.489 11.418 -1.624 . . . 1.0 . . . . . . . . . . . . A . 5 DG P . . . . . . . . . rr_1x2y 1 . 1 . 159 . 1 1 6 DT C1' C 3.630 3.833 4.986 . . . 1.0 . . . . . . . . . . . . A . 6 DT C1' . . . . . . . . . rr_1x2y 1 . 1 . 160 . 1 1 6 DT C2 C 1.907 2.599 3.761 . . . 1.0 . . . . . . . . . . . . A . 6 DT C2 . . . . . . . . . rr_1x2y 1 . 1 . 161 . 1 1 6 DT C2' C 5.116 3.541 4.960 . . . 1.0 . . . . . . . . . . . . A . 6 DT C2' . . . . . . . . . rr_1x2y 1 . 1 . 162 . 1 1 6 DT C3' C 5.686 4.542 5.950 . . . 1.0 . . . . . . . . . . . . A . 6 DT C3' . . . . . . . . . rr_1x2y 1 . 1 . 163 . 1 1 6 DT C4 C 1.552 3.002 1.356 . . . 1.0 . . . . . . . . . . . . A . 6 DT C4 . . . . . . . . . rr_1x2y 1 . 1 . 164 . 1 1 6 DT C4' C 4.666 5.680 5.985 . . . 1.0 . . . . . . . . . . . . A . 6 DT C4' . . . . . . . . . rr_1x2y 1 . 1 . 165 . 1 1 6 DT C5 C 2.626 3.968 1.386 . . . 1.0 . . . . . . . . . . . . A . 6 DT C5 . . . . . . . . . rr_1x2y 1 . 1 . 166 . 1 1 6 DT C5' C 5.121 6.977 5.356 . . . 1.0 . . . . . . . . . . . . A . 6 DT C5' . . . . . . . . . rr_1x2y 1 . 1 . 167 . 1 1 6 DT C6 C 3.257 4.183 2.549 . . . 1.0 . . . . . . . . . . . . A . 6 DT C6 . . . . . . . . . rr_1x2y 1 . 1 . 168 . 1 1 6 DT C7 C 2.984 4.689 0.124 . . . 1.0 . . . . . . . . . . . . A . 6 DT C7 . . . . . . . . . rr_1x2y 1 . 1 . 169 . 1 1 6 DT H1' H 3.132 3.297 5.801 . . . 1.0 . . . . . . . . . . . . A . 6 DT H1' . . . . . . . . . rr_1x2y 1 . 1 . 170 . 1 1 6 DT H2' H 5.546 3.675 3.968 . . . 1.0 . . . . . . . . . . . . A . 6 DT H2' . . . . . . . . . rr_1x2y 1 . 1 . 171 . 1 1 6 DT H2'' H 5.291 2.515 5.289 . . . 1.0 . . . . . . . . . . . . A . 6 DT H2'' . . . . . . . . . rr_1x2y 1 . 1 . 172 . 1 1 6 DT H3 H 0.542 1.702 2.553 . . . 1.0 . . . . . . . . . . . . A . 6 DT H3 . . . . . . . . . rr_1x2y 1 . 1 . 173 . 1 1 6 DT H3' H 6.674 4.899 5.653 . . . 1.0 . . . . . . . . . . . . A . 6 DT H3' . . . . . . . . . rr_1x2y 1 . 1 . 174 . 1 1 6 DT H4' H 4.466 5.885 7.037 . . . 1.0 . . . . . . . . . . . . A . 6 DT H4' . . . . . . . . . rr_1x2y 1 . 1 . 175 . 1 1 6 DT H5' H 4.377 7.751 5.552 . . . 1.0 . . . . . . . . . . . . A . 6 DT H5' . . . . . . . . . rr_1x2y 1 . 1 . 176 . 1 1 6 DT H5'' H 6.067 7.275 5.805 . . . 1.0 . . . . . . . . . . . . A . 6 DT H5'' . . . . . . . . . rr_1x2y 1 . 1 . 177 . 1 1 6 DT H6 H 4.091 4.887 2.561 . . . 1.0 . . . . . . . . . . . . A . 6 DT H6 . . . . . . . . . rr_1x2y 1 . 1 . 178 . 1 1 6 DT H71 H 3.910 5.245 0.273 . . . 1.0 . . . . . . . . . . . . A . 6 DT H71 . . . . . . . . . rr_1x2y 1 . 1 . 179 . 1 1 6 DT H72 H 3.120 3.968 -0.682 . . . 1.0 . . . . . . . . . . . . A . 6 DT H72 . . . . . . . . . rr_1x2y 1 . 1 . 180 . 1 1 6 DT H73 H 2.184 5.381 -0.139 . . . 1.0 . . . . . . . . . . . . A . 6 DT H73 . . . . . . . . . rr_1x2y 1 . 1 . 181 . 1 1 6 DT N1 N 2.917 3.535 3.725 . . . 1.0 . . . . . . . . . . . . A . 6 DT N1 . . . . . . . . . rr_1x2y 1 . 1 . 182 . 1 1 6 DT N3 N 1.280 2.387 2.560 . . . 1.0 . . . . . . . . . . . . A . 6 DT N3 . . . . . . . . . rr_1x2y 1 . 1 . 183 . 1 1 6 DT O2 O 1.587 1.998 4.774 . . . 1.0 . . . . . . . . . . . . A . 6 DT O2 . . . . . . . . . rr_1x2y 1 . 1 . 184 . 1 1 6 DT O3' O 5.834 3.960 7.244 . . . 1.0 . . . . . . . . . . . . A . 6 DT O3' . . . . . . . . . rr_1x2y 1 . 1 . 185 . 1 1 6 DT O4 O 0.896 2.710 0.360 . . . 1.0 . . . . . . . . . . . . A . 6 DT O4 . . . . . . . . . rr_1x2y 1 . 1 . 186 . 1 1 6 DT O4' O 3.499 5.210 5.256 . . . 1.0 . . . . . . . . . . . . A . 6 DT O4' . . . . . . . . . rr_1x2y 1 . 1 . 187 . 1 1 6 DT O5' O 5.284 6.814 3.948 . . . 1.0 . . . . . . . . . . . . A . 6 DT O5' . . . . . . . . . rr_1x2y 1 . 1 . 188 . 1 1 6 DT OP1 O 6.903 8.701 3.760 . . . 1.0 . . . . . . . . . . . . A . 6 DT OP1 . . . . . . . . . rr_1x2y 1 . 1 . 189 . 1 1 6 DT OP2 O 6.031 7.496 1.667 . . . 1.0 . . . . . . . . . . . . A . 6 DT OP2 . . . . . . . . . rr_1x2y 1 . 1 . 190 . 1 1 6 DT P P 5.798 8.018 3.039 . . . 1.0 . . . . . . . . . . . . A . 6 DT P . . . . . . . . . rr_1x2y 1 . 1 . 191 . 1 1 7 DG C1' C 3.431 -1.369 6.713 . . . 1.0 . . . . . . . . . . . . A . 7 DG C1' . . . . . . . . . rr_1x2y 1 . 1 . 192 . 1 1 7 DG C2 C 0.381 -3.447 4.430 . . . 1.0 . . . . . . . . . . . . A . 7 DG C2 . . . . . . . . . rr_1x2y 1 . 1 . 193 . 1 1 7 DG C2' C 4.906 -1.638 6.909 . . . 1.0 . . . . . . . . . . . . A . 7 DG C2' . . . . . . . . . rr_1x2y 1 . 1 . 194 . 1 1 7 DG C3' C 5.159 -1.071 8.294 . . . 1.0 . . . . . . . . . . . . A . 7 DG C3' . . . . . . . . . rr_1x2y 1 . 1 . 195 . 1 1 7 DG C4 C 2.014 -1.977 4.704 . . . 1.0 . . . . . . . . . . . . A . 7 DG C4 . . . . . . . . . rr_1x2y 1 . 1 . 196 . 1 1 7 DG C4' C 4.138 0.058 8.430 . . . 1.0 . . . . . . . . . . . . A . 7 DG C4' . . . . . . . . . rr_1x2y 1 . 1 . 197 . 1 1 7 DG C5 C 1.976 -1.511 3.407 . . . 1.0 . . . . . . . . . . . . A . 7 DG C5 . . . . . . . . . rr_1x2y 1 . 1 . 198 . 1 1 7 DG C5' C 4.692 1.458 8.298 . . . 1.0 . . . . . . . . . . . . A . 7 DG C5' . . . . . . . . . rr_1x2y 1 . 1 . 199 . 1 1 7 DG C6 C 1.033 -2.069 2.507 . . . 1.0 . . . . . . . . . . . . A . 7 DG C6 . . . . . . . . . rr_1x2y 1 . 1 . 200 . 1 1 7 DG C8 C 3.511 -0.401 4.370 . . . 1.0 . . . . . . . . . . . . A . 7 DG C8 . . . . . . . . . rr_1x2y 1 . 1 . 201 . 1 1 7 DG H1 H -0.445 -3.511 2.562 . . . 1.0 . . . . . . . . . . . . A . 7 DG H1 . . . . . . . . . rr_1x2y 1 . 1 . 202 . 1 1 7 DG H1' H 2.820 -2.132 7.198 . . . 1.0 . . . . . . . . . . . . A . 7 DG H1' . . . . . . . . . rr_1x2y 1 . 1 . 203 . 1 1 7 DG H2' H 5.519 -1.141 6.158 . . . 1.0 . . . . . . . . . . . . A . 7 DG H2' . . . . . . . . . rr_1x2y 1 . 1 . 204 . 1 1 7 DG H2'' H 5.099 -2.710 6.875 . . . 1.0 . . . . . . . . . . . . A . 7 DG H2'' . . . . . . . . . rr_1x2y 1 . 1 . 205 . 1 1 7 DG H21 H -1.123 -4.807 4.189 . . . 1.0 . . . . . . . . . . . . A . 7 DG H21 . . . . . . . . . rr_1x2y 1 . 1 . 206 . 1 1 7 DG H22 H -0.413 -4.750 5.787 . . . 1.0 . . . . . . . . . . . . A . 7 DG H22 . . . . . . . . . rr_1x2y 1 . 1 . 207 . 1 1 7 DG H3' H 6.182 -0.704 8.410 . . . 1.0 . . . . . . . . . . . . A . 7 DG H3' . . . . . . . . . rr_1x2y 1 . 1 . 208 . 1 1 7 DG H4' H 3.712 -0.027 9.430 . . . 1.0 . . . . . . . . . . . . A . 7 DG H4' . . . . . . . . . rr_1x2y 1 . 1 . 209 . 1 1 7 DG H5' H 3.941 2.099 7.834 . . . 1.0 . . . . . . . . . . . . A . 7 DG H5' . . . . . . . . . rr_1x2y 1 . 1 . 210 . 1 1 7 DG H5'' H 4.920 1.843 9.291 . . . 1.0 . . . . . . . . . . . . A . 7 DG H5'' . . . . . . . . . rr_1x2y 1 . 1 . 211 . 1 1 7 DG H8 H 4.300 0.308 4.567 . . . 1.0 . . . . . . . . . . . . A . 7 DG H8 . . . . . . . . . rr_1x2y 1 . 1 . 212 . 1 1 7 DG N1 N 0.261 -3.052 3.120 . . . 1.0 . . . . . . . . . . . . A . 7 DG N1 . . . . . . . . . rr_1x2y 1 . 1 . 213 . 1 1 7 DG N2 N -0.453 -4.415 4.835 . . . 1.0 . . . . . . . . . . . . A . 7 DG N2 . . . . . . . . . rr_1x2y 1 . 1 . 214 . 1 1 7 DG N3 N 1.255 -2.933 5.279 . . . 1.0 . . . . . . . . . . . . A . 7 DG N3 . . . . . . . . . rr_1x2y 1 . 1 . 215 . 1 1 7 DG N7 N 2.927 -0.520 3.210 . . . 1.0 . . . . . . . . . . . . A . 7 DG N7 . . . . . . . . . rr_1x2y 1 . 1 . 216 . 1 1 7 DG N9 N 3.007 -1.253 5.321 . . . 1.0 . . . . . . . . . . . . A . 7 DG N9 . . . . . . . . . rr_1x2y 1 . 1 . 217 . 1 1 7 DG O3' O 4.958 -2.054 9.310 . . . 1.0 . . . . . . . . . . . . A . 7 DG O3' . . . . . . . . . rr_1x2y 1 . 1 . 218 . 1 1 7 DG O4' O 3.165 -0.149 7.367 . . . 1.0 . . . . . . . . . . . . A . 7 DG O4' . . . . . . . . . rr_1x2y 1 . 1 . 219 . 1 1 7 DG O5' O 5.874 1.451 7.500 . . . 1.0 . . . . . . . . . . . . A . 7 DG O5' . . . . . . . . . rr_1x2y 1 . 1 . 220 . 1 1 7 DG O6 O 0.843 -1.786 1.319 . . . 1.0 . . . . . . . . . . . . A . 7 DG O6 . . . . . . . . . rr_1x2y 1 . 1 . 221 . 1 1 7 DG OP1 O 7.475 2.864 8.789 . . . 1.0 . . . . . . . . . . . . A . 7 DG OP1 . . . . . . . . . rr_1x2y 1 . 1 . 222 . 1 1 7 DG OP2 O 7.689 2.607 6.244 . . . 1.0 . . . . . . . . . . . . A . 7 DG OP2 . . . . . . . . . rr_1x2y 1 . 1 . 223 . 1 1 7 DG P P 6.837 2.719 7.455 . . . 1.0 . . . . . . . . . . . . A . 7 DG P . . . . . . . . . rr_1x2y 1 . 1 . 224 . 1 1 8 DC C1' C 2.888 -5.879 5.540 . . . 1.0 . . . . . . . . . . . . A . 8 DC C1' . . . . . . . . . rr_1x2y 1 . 1 . 225 . 1 1 8 DC C2 C 2.687 -5.405 3.122 . . . 1.0 . . . . . . . . . . . . A . 8 DC C2 . . . . . . . . . rr_1x2y 1 . 1 . 226 . 1 1 8 DC C2' C 3.873 -6.858 6.137 . . . 1.0 . . . . . . . . . . . . A . 8 DC C2' . . . . . . . . . rr_1x2y 1 . 1 . 227 . 1 1 8 DC C3' C 3.457 -6.911 7.599 . . . 1.0 . . . . . . . . . . . . A . 8 DC C3' . . . . . . . . . rr_1x2y 1 . 1 . 228 . 1 1 8 DC C4 C 4.102 -3.879 2.081 . . . 1.0 . . . . . . . . . . . . A . 8 DC C4 . . . . . . . . . rr_1x2y 1 . 1 . 229 . 1 1 8 DC C4' C 2.737 -5.584 7.847 . . . 1.0 . . . . . . . . . . . . A . 8 DC C4' . . . . . . . . . rr_1x2y 1 . 1 . 230 . 1 1 8 DC C5 C 4.798 -3.627 3.300 . . . 1.0 . . . . . . . . . . . . A . 8 DC C5 . . . . . . . . . rr_1x2y 1 . 1 . 231 . 1 1 8 DC C5' C 3.428 -4.640 8.804 . . . 1.0 . . . . . . . . . . . . A . 8 DC C5' . . . . . . . . . rr_1x2y 1 . 1 . 232 . 1 1 8 DC C6 C 4.393 -4.291 4.390 . . . 1.0 . . . . . . . . . . . . A . 8 DC C6 . . . . . . . . . rr_1x2y 1 . 1 . 233 . 1 1 8 DC H1' H 1.937 -6.366 5.315 . . . 1.0 . . . . . . . . . . . . A . 8 DC H1' . . . . . . . . . rr_1x2y 1 . 1 . 234 . 1 1 8 DC H2' H 4.904 -6.525 6.027 . . . 1.0 . . . . . . . . . . . . A . 8 DC H2' . . . . . . . . . rr_1x2y 1 . 1 . 235 . 1 1 8 DC H2'' H 3.754 -7.828 5.654 . . . 1.0 . . . . . . . . . . . . A . 8 DC H2'' . . . . . . . . . rr_1x2y 1 . 1 . 236 . 1 1 8 DC H3' H 4.311 -7.036 8.268 . . . 1.0 . . . . . . . . . . . . A . 8 DC H3' . . . . . . . . . rr_1x2y 1 . 1 . 237 . 1 1 8 DC H4' H 1.768 -5.834 8.282 . . . 1.0 . . . . . . . . . . . . A . 8 DC H4' . . . . . . . . . rr_1x2y 1 . 1 . 238 . 1 1 8 DC H41 H 3.964 -3.421 0.101 . . . 1.0 . . . . . . . . . . . . A . 8 DC H41 . . . . . . . . . rr_1x2y 1 . 1 . 239 . 1 1 8 DC H42 H 5.220 -2.580 0.981 . . . 1.0 . . . . . . . . . . . . A . 8 DC H42 . . . . . . . . . rr_1x2y 1 . 1 . 240 . 1 1 8 DC H5 H 5.625 -2.918 3.343 . . . 1.0 . . . . . . . . . . . . A . 8 DC H5 . . . . . . . . . rr_1x2y 1 . 1 . 241 . 1 1 8 DC H5' H 2.871 -3.703 8.847 . . . 1.0 . . . . . . . . . . . . A . 8 DC H5' . . . . . . . . . rr_1x2y 1 . 1 . 242 . 1 1 8 DC H5'' H 3.441 -5.090 9.796 . . . 1.0 . . . . . . . . . . . . A . 8 DC H5'' . . . . . . . . . rr_1x2y 1 . 1 . 243 . 1 1 8 DC H6 H 4.911 -4.130 5.334 . . . 1.0 . . . . . . . . . . . . A . 8 DC H6 . . . . . . . . . rr_1x2y 1 . 1 . 244 . 1 1 8 DC N1 N 3.346 -5.170 4.333 . . . 1.0 . . . . . . . . . . . . A . 8 DC N1 . . . . . . . . . rr_1x2y 1 . 1 . 245 . 1 1 8 DC N3 N 3.087 -4.743 2.013 . . . 1.0 . . . . . . . . . . . . A . 8 DC N3 . . . . . . . . . rr_1x2y 1 . 1 . 246 . 1 1 8 DC N4 N 4.457 -3.242 0.964 . . . 1.0 . . . . . . . . . . . . A . 8 DC N4 . . . . . . . . . rr_1x2y 1 . 1 . 247 . 1 1 8 DC O2 O 1.750 -6.217 3.096 . . . 1.0 . . . . . . . . . . . . A . 8 DC O2 . . . . . . . . . rr_1x2y 1 . 1 . 248 . 1 1 8 DC O3' O 2.576 -8.005 7.849 . . . 1.0 . . . . . . . . . . . . A . 8 DC O3' . . . . . . . . . rr_1x2y 1 . 1 . 249 . 1 1 8 DC O4' O 2.638 -4.934 6.551 . . . 1.0 . . . . . . . . . . . . A . 8 DC O4' . . . . . . . . . rr_1x2y 1 . 1 . 250 . 1 1 8 DC O5' O 4.762 -4.386 8.372 . . . 1.0 . . . . . . . . . . . . A . 8 DC O5' . . . . . . . . . rr_1x2y 1 . 1 . 251 . 1 1 8 DC OP1 O 5.817 -4.022 10.603 . . . 1.0 . . . . . . . . . . . . A . 8 DC OP1 . . . . . . . . . rr_1x2y 1 . 1 . 252 . 1 1 8 DC OP2 O 6.981 -3.250 8.450 . . . 1.0 . . . . . . . . . . . . A . 8 DC OP2 . . . . . . . . . rr_1x2y 1 . 1 . 253 . 1 1 8 DC P P 5.735 -3.461 9.231 . . . 1.0 . . . . . . . . . . . . A . 8 DC P . . . . . . . . . rr_1x2y 1 . 1 . 254 . 1 1 9 DA C1' C 2.104 -10.450 2.581 . . . 1.0 . . . . . . . . . . . . A . 9 DA C1' . . . . . . . . . rr_1x2y 1 . 1 . 255 . 1 1 9 DA C2 C 2.295 -8.869 -1.497 . . . 1.0 . . . . . . . . . . . . A . 9 DA C2 . . . . . . . . . rr_1x2y 1 . 1 . 256 . 1 1 9 DA C2' C 2.866 -11.388 3.490 . . . 1.0 . . . . . . . . . . . . A . 9 DA C2' . . . . . . . . . rr_1x2y 1 . 1 . 257 . 1 1 9 DA C3' C 1.761 -11.859 4.415 . . . 1.0 . . . . . . . . . . . . A . 9 DA C3' . . . . . . . . . rr_1x2y 1 . 1 . 258 . 1 1 9 DA C4 C 2.882 -9.038 0.616 . . . 1.0 . . . . . . . . . . . . A . 9 DA C4 . . . . . . . . . rr_1x2y 1 . 1 . 259 . 1 1 9 DA C4' C 0.890 -10.617 4.580 . . . 1.0 . . . . . . . . . . . . A . 9 DA C4' . . . . . . . . . rr_1x2y 1 . 1 . 260 . 1 1 9 DA C5 C 3.853 -8.063 0.483 . . . 1.0 . . . . . . . . . . . . A . 9 DA C5 . . . . . . . . . rr_1x2y 1 . 1 . 261 . 1 1 9 DA C5' C 1.177 -9.789 5.812 . . . 1.0 . . . . . . . . . . . . A . 9 DA C5' . . . . . . . . . rr_1x2y 1 . 1 . 262 . 1 1 9 DA C6 C 4.000 -7.478 -0.785 . . . 1.0 . . . . . . . . . . . . A . 9 DA C6 . . . . . . . . . rr_1x2y 1 . 1 . 263 . 1 1 9 DA C8 C 3.934 -8.704 2.507 . . . 1.0 . . . . . . . . . . . . A . 9 DA C8 . . . . . . . . . rr_1x2y 1 . 1 . 264 . 1 1 9 DA H1' H 1.550 -10.995 1.815 . . . 1.0 . . . . . . . . . . . . A . 9 DA H1' . . . . . . . . . rr_1x2y 1 . 1 . 265 . 1 1 9 DA H2 H 1.672 -9.182 -2.334 . . . 1.0 . . . . . . . . . . . . A . 9 DA H2 . . . . . . . . . rr_1x2y 1 . 1 . 266 . 1 1 9 DA H2' H 3.652 -10.875 4.043 . . . 1.0 . . . . . . . . . . . . A . 9 DA H2' . . . . . . . . . rr_1x2y 1 . 1 . 267 . 1 1 9 DA H2'' H 3.305 -12.212 2.933 . . . 1.0 . . . . . . . . . . . . A . 9 DA H2'' . . . . . . . . . rr_1x2y 1 . 1 . 268 . 1 1 9 DA H3' H 2.145 -12.214 5.374 . . . 1.0 . . . . . . . . . . . . A . 9 DA H3' . . . . . . . . . rr_1x2y 1 . 1 . 269 . 1 1 9 DA H4' H -0.142 -10.963 4.649 . . . 1.0 . . . . . . . . . . . . A . 9 DA H4' . . . . . . . . . rr_1x2y 1 . 1 . 270 . 1 1 9 DA H5' H 0.892 -8.753 5.622 . . . 1.0 . . . . . . . . . . . . A . 9 DA H5' . . . . . . . . . rr_1x2y 1 . 1 . 271 . 1 1 9 DA H5'' H 0.584 -10.173 6.641 . . . 1.0 . . . . . . . . . . . . A . 9 DA H5'' . . . . . . . . . rr_1x2y 1 . 1 . 272 . 1 1 9 DA H61 H 4.947 -6.139 -1.993 . . . 1.0 . . . . . . . . . . . . A . 9 DA H61 . . . . . . . . . rr_1x2y 1 . 1 . 273 . 1 1 9 DA H62 H 5.505 -6.181 -0.335 . . . 1.0 . . . . . . . . . . . . A . 9 DA H62 . . . . . . . . . rr_1x2y 1 . 1 . 274 . 1 1 9 DA H8 H 4.232 -8.830 3.536 . . . 1.0 . . . . . . . . . . . . A . 9 DA H8 . . . . . . . . . rr_1x2y 1 . 1 . 275 . 1 1 9 DA N1 N 3.190 -7.912 -1.774 . . . 1.0 . . . . . . . . . . . . A . 9 DA N1 . . . . . . . . . rr_1x2y 1 . 1 . 276 . 1 1 9 DA N3 N 2.059 -9.493 -0.345 . . . 1.0 . . . . . . . . . . . . A . 9 DA N3 . . . . . . . . . rr_1x2y 1 . 1 . 277 . 1 1 9 DA N6 N 4.890 -6.522 -1.060 . . . 1.0 . . . . . . . . . . . . A . 9 DA N6 . . . . . . . . . rr_1x2y 1 . 1 . 278 . 1 1 9 DA N7 N 4.509 -7.858 1.689 . . . 1.0 . . . . . . . . . . . . A . 9 DA N7 . . . . . . . . . rr_1x2y 1 . 1 . 279 . 1 1 9 DA N9 N 2.936 -9.442 1.928 . . . 1.0 . . . . . . . . . . . . A . 9 DA N9 . . . . . . . . . rr_1x2y 1 . 1 . 280 . 1 1 9 DA O3' O 1.009 -12.930 3.846 . . . 1.0 . . . . . . . . . . . . A . 9 DA O3' . . . . . . . . . rr_1x2y 1 . 1 . 281 . 1 1 9 DA O4' O 1.154 -9.801 3.401 . . . 1.0 . . . . . . . . . . . . A . 9 DA O4' . . . . . . . . . rr_1x2y 1 . 1 . 282 . 1 1 9 DA O5' O 2.564 -9.854 6.136 . . . 1.0 . . . . . . . . . . . . A . 9 DA O5' . . . . . . . . . rr_1x2y 1 . 1 . 283 . 1 1 9 DA OP1 O 2.373 -10.398 8.564 . . . 1.0 . . . . . . . . . . . . A . 9 DA OP1 . . . . . . . . . rr_1x2y 1 . 1 . 284 . 1 1 9 DA OP2 O 4.565 -9.498 7.578 . . . 1.0 . . . . . . . . . . . . A . 9 DA OP2 . . . . . . . . . rr_1x2y 1 . 1 . 285 . 1 1 9 DA P P 3.080 -9.512 7.604 . . . 1.0 . . . . . . . . . . . . A . 9 DA P . . . . . . . . . rr_1x2y 1 . 1 . 286 . 1 1 10 DG C1' C 3.043 -13.128 -1.703 . . . 1.0 . . . . . . . . . . . . A . 10 DG C1' . . . . . . . . . rr_1x2y 1 . 1 . 287 . 1 1 10 DG C2 C 4.674 -10.323 -4.580 . . . 1.0 . . . . . . . . . . . . A . 10 DG C2 . . . . . . . . . rr_1x2y 1 . 1 . 288 . 1 1 10 DG C2' C 3.464 -14.500 -1.236 . . . 1.0 . . . . . . . . . . . . A . 10 DG C2' . . . . . . . . . rr_1x2y 1 . 1 . 289 . 1 1 10 DG C3' C 2.172 -15.132 -0.741 . . . 1.0 . . . . . . . . . . . . A . 10 DG C3' . . . . . . . . . rr_1x2y 1 . 1 . 290 . 1 1 10 DG C4 C 4.498 -11.249 -2.576 . . . 1.0 . . . . . . . . . . . . A . 10 DG C4 . . . . . . . . . rr_1x2y 1 . 1 . 291 . 1 1 10 DG C4' C 1.238 -13.955 -0.466 . . . 1.0 . . . . . . . . . . . . A . 10 DG C4' . . . . . . . . . rr_1x2y 1 . 1 . 292 . 1 1 10 DG C5 C 5.456 -10.448 -1.990 . . . 1.0 . . . . . . . . . . . . A . 10 DG C5 . . . . . . . . . rr_1x2y 1 . 1 . 293 . 1 1 10 DG C5' C 0.867 -13.752 0.985 . . . 1.0 . . . . . . . . . . . . A . 10 DG C5' . . . . . . . . . rr_1x2y 1 . 1 . 294 . 1 1 10 DG C6 C 6.106 -9.468 -2.782 . . . 1.0 . . . . . . . . . . . . A . 10 DG C6 . . . . . . . . . rr_1x2y 1 . 1 . 295 . 1 1 10 DG C8 C 4.772 -11.745 -0.449 . . . 1.0 . . . . . . . . . . . . A . 10 DG C8 . . . . . . . . . rr_1x2y 1 . 1 . 296 . 1 1 10 DG H1 H 6.049 -8.811 -4.734 . . . 1.0 . . . . . . . . . . . . A . 10 DG H1 . . . . . . . . . rr_1x2y 1 . 1 . 297 . 1 1 10 DG H1' H 2.721 -13.163 -2.738 . . . 1.0 . . . . . . . . . . . . A . 10 DG H1' . . . . . . . . . rr_1x2y 1 . 1 . 298 . 1 1 10 DG H2' H 4.212 -14.454 -0.456 . . . 1.0 . . . . . . . . . . . . A . 10 DG H2' . . . . . . . . . rr_1x2y 1 . 1 . 299 . 1 1 10 DG H2'' H 3.871 -15.043 -2.090 . . . 1.0 . . . . . . . . . . . . A . 10 DG H2'' . . . . . . . . . rr_1x2y 1 . 1 . 300 . 1 1 10 DG H21 H 4.827 -9.480 -6.435 . . . 1.0 . . . . . . . . . . . . A . 10 DG H21 . . . . . . . . . rr_1x2y 1 . 1 . 301 . 1 1 10 DG H22 H 3.655 -10.772 -6.292 . . . 1.0 . . . . . . . . . . . . A . 10 DG H22 . . . . . . . . . rr_1x2y 1 . 1 . 302 . 1 1 10 DG H3' H 2.328 -15.737 0.155 . . . 1.0 . . . . . . . . . . . . A . 10 DG H3' . . . . . . . . . rr_1x2y 1 . 1 . 303 . 1 1 10 DG H4' H 0.315 -14.159 -1.010 . . . 1.0 . . . . . . . . . . . . A . 10 DG H4' . . . . . . . . . rr_1x2y 1 . 1 . 304 . 1 1 10 DG H5' H 0.605 -12.705 1.144 . . . 1.0 . . . . . . . . . . . . A . 10 DG H5' . . . . . . . . . rr_1x2y 1 . 1 . 305 . 1 1 10 DG H5'' H 0.003 -14.372 1.218 . . . 1.0 . . . . . . . . . . . . A . 10 DG H5'' . . . . . . . . . rr_1x2y 1 . 1 . 306 . 1 1 10 DG H8 H 4.652 -12.238 0.504 . . . 1.0 . . . . . . . . . . . . A . 10 DG H8 . . . . . . . . . rr_1x2y 1 . 1 . 307 . 1 1 10 DG N1 N 5.641 -9.478 -4.093 . . . 1.0 . . . . . . . . . . . . A . 10 DG N1 . . . . . . . . . rr_1x2y 1 . 1 . 308 . 1 1 10 DG N2 N 4.359 -10.179 -5.876 . . . 1.0 . . . . . . . . . . . . A . 10 DG N2 . . . . . . . . . rr_1x2y 1 . 1 . 309 . 1 1 10 DG N3 N 4.060 -11.242 -3.853 . . . 1.0 . . . . . . . . . . . . A . 10 DG N3 . . . . . . . . . rr_1x2y 1 . 1 . 310 . 1 1 10 DG N7 N 5.617 -10.771 -0.649 . . . 1.0 . . . . . . . . . . . . A . 10 DG N7 . . . . . . . . . rr_1x2y 1 . 1 . 311 . 1 1 10 DG N9 N 4.060 -12.086 -1.576 . . . 1.0 . . . . . . . . . . . . A . 10 DG N9 . . . . . . . . . rr_1x2y 1 . 1 . 312 . 1 1 10 DG O3' O 1.596 -15.998 -1.720 . . . 1.0 . . . . . . . . . . . . A . 10 DG O3' . . . . . . . . . rr_1x2y 1 . 1 . 313 . 1 1 10 DG O4' O 1.928 -12.761 -0.927 . . . 1.0 . . . . . . . . . . . . A . 10 DG O4' . . . . . . . . . rr_1x2y 1 . 1 . 314 . 1 1 10 DG O5' O 1.959 -14.108 1.829 . . . 1.0 . . . . . . . . . . . . A . 10 DG O5' . . . . . . . . . rr_1x2y 1 . 1 . 315 . 1 1 10 DG O6 O 6.983 -8.664 -2.446 . . . 1.0 . . . . . . . . . . . . A . 10 DG O6 . . . . . . . . . rr_1x2y 1 . 1 . 316 . 1 1 10 DG OP1 O 0.797 -15.401 3.612 . . . 1.0 . . . . . . . . . . . . A . 10 DG OP1 . . . . . . . . . rr_1x2y 1 . 1 . 317 . 1 1 10 DG OP2 O 3.091 -14.334 4.044 . . . 1.0 . . . . . . . . . . . . A . 10 DG OP2 . . . . . . . . . rr_1x2y 1 . 1 . 318 . 1 1 10 DG P P 1.753 -14.285 3.399 . . . 1.0 . . . . . . . . . . . . A . 10 DG P . . . . . . . . . rr_1x2y 1 . 1 . 319 . 1 1 11 DT C1' C 5.383 -13.900 -5.452 . . . 1.0 . . . . . . . . . . . . A . 11 DT C1' . . . . . . . . . rr_1x2y 1 . 1 . 320 . 1 1 11 DT C2 C 7.155 -12.330 -4.834 . . . 1.0 . . . . . . . . . . . . A . 11 DT C2 . . . . . . . . . rr_1x2y 1 . 1 . 321 . 1 1 11 DT C2' C 5.669 -15.325 -5.873 . . . 1.0 . . . . . . . . . . . . A . 11 DT C2' . . . . . . . . . rr_1x2y 1 . 1 . 322 . 1 1 11 DT C3' C 4.311 -15.809 -6.355 . . . 1.0 . . . . . . . . . . . . A . 11 DT C3' . . . . . . . . . rr_1x2y 1 . 1 . 323 . 1 1 11 DT C4 C 8.060 -12.310 -2.544 . . . 1.0 . . . . . . . . . . . . A . 11 DT C4 . . . . . . . . . rr_1x2y 1 . 1 . 324 . 1 1 11 DT C4' C 3.300 -14.916 -5.632 . . . 1.0 . . . . . . . . . . . . A . 11 DT C4' . . . . . . . . . rr_1x2y 1 . 1 . 325 . 1 1 11 DT C5 C 7.147 -13.378 -2.202 . . . 1.0 . . . . . . . . . . . . A . 11 DT C5 . . . . . . . . . rr_1x2y 1 . 1 . 326 . 1 1 11 DT C5' C 2.410 -15.620 -4.636 . . . 1.0 . . . . . . . . . . . . A . 11 DT C5' . . . . . . . . . rr_1x2y 1 . 1 . 327 . 1 1 11 DT C6 C 6.327 -13.842 -3.156 . . . 1.0 . . . . . . . . . . . . A . 11 DT C6 . . . . . . . . . rr_1x2y 1 . 1 . 328 . 1 1 11 DT C7 C 7.161 -13.923 -0.808 . . . 1.0 . . . . . . . . . . . . A . 11 DT C7 . . . . . . . . . rr_1x2y 1 . 1 . 329 . 1 1 11 DT H1' H 5.359 -13.223 -6.308 . . . 1.0 . . . . . . . . . . . . A . 11 DT H1' . . . . . . . . . rr_1x2y 1 . 1 . 330 . 1 1 11 DT H2' H 6.035 -15.934 -5.046 . . . 1.0 . . . . . . . . . . . . A . 11 DT H2' . . . . . . . . . rr_1x2y 1 . 1 . 331 . 1 1 11 DT H2'' H 6.404 -15.338 -6.677 . . . 1.0 . . . . . . . . . . . . A . 11 DT H2'' . . . . . . . . . rr_1x2y 1 . 1 . 332 . 1 1 11 DT H3 H 8.620 -11.126 -4.109 . . . 1.0 . . . . . . . . . . . . A . 11 DT H3 . . . . . . . . . rr_1x2y 1 . 1 . 333 . 1 1 11 DT H3' H 4.146 -16.866 -6.132 . . . 1.0 . . . . . . . . . . . . A . 11 DT H3' . . . . . . . . . rr_1x2y 1 . 1 . 334 . 1 1 11 DT H4' H 2.656 -14.489 -6.400 . . . 1.0 . . . . . . . . . . . . A . 11 DT H4' . . . . . . . . . rr_1x2y 1 . 1 . 335 . 1 1 11 DT H5' H 1.750 -14.890 -4.166 . . . 1.0 . . . . . . . . . . . . A . 11 DT H5' . . . . . . . . . rr_1x2y 1 . 1 . 336 . 1 1 11 DT H5'' H 1.805 -16.357 -5.162 . . . 1.0 . . . . . . . . . . . . A . 11 DT H5'' . . . . . . . . . rr_1x2y 1 . 1 . 337 . 1 1 11 DT H6 H 5.642 -14.652 -2.903 . . . 1.0 . . . . . . . . . . . . A . 11 DT H6 . . . . . . . . . rr_1x2y 1 . 1 . 338 . 1 1 11 DT H71 H 8.107 -14.432 -0.625 . . . 1.0 . . . . . . . . . . . . A . 11 DT H71 . . . . . . . . . rr_1x2y 1 . 1 . 339 . 1 1 11 DT H72 H 7.046 -13.105 -0.097 . . . 1.0 . . . . . . . . . . . . A . 11 DT H72 . . . . . . . . . rr_1x2y 1 . 1 . 340 . 1 1 11 DT H73 H 6.340 -14.629 -0.685 . . . 1.0 . . . . . . . . . . . . A . 11 DT H73 . . . . . . . . . rr_1x2y 1 . 1 . 341 . 1 1 11 DT N1 N 6.312 -13.347 -4.444 . . . 1.0 . . . . . . . . . . . . A . 11 DT N1 . . . . . . . . . rr_1x2y 1 . 1 . 342 . 1 1 11 DT N3 N 7.988 -11.869 -3.849 . . . 1.0 . . . . . . . . . . . . A . 11 DT N3 . . . . . . . . . rr_1x2y 1 . 1 . 343 . 1 1 11 DT O2 O 7.170 -11.871 -5.965 . . . 1.0 . . . . . . . . . . . . A . 11 DT O2 . . . . . . . . . rr_1x2y 1 . 1 . 344 . 1 1 11 DT O3' O 4.195 -15.668 -7.770 . . . 1.0 . . . . . . . . . . . . A . 11 DT O3' . . . . . . . . . rr_1x2y 1 . 1 . 345 . 1 1 11 DT O4 O 8.860 -11.794 -1.768 . . . 1.0 . . . . . . . . . . . . A . 11 DT O4 . . . . . . . . . rr_1x2y 1 . 1 . 346 . 1 1 11 DT O4' O 4.085 -13.924 -4.916 . . . 1.0 . . . . . . . . . . . . A . 11 DT O4' . . . . . . . . . rr_1x2y 1 . 1 . 347 . 1 1 11 DT O5' O 3.199 -16.266 -3.640 . . . 1.0 . . . . . . . . . . . . A . 11 DT O5' . . . . . . . . . rr_1x2y 1 . 1 . 348 . 1 1 11 DT OP1 O 1.597 -18.091 -3.076 . . . 1.0 . . . . . . . . . . . . A . 11 DT OP1 . . . . . . . . . rr_1x2y 1 . 1 . 349 . 1 1 11 DT OP2 O 3.570 -17.545 -1.527 . . . 1.0 . . . . . . . . . . . . A . 11 DT OP2 . . . . . . . . . rr_1x2y 1 . 1 . 350 . 1 1 11 DT P P 2.510 -17.092 -2.465 . . . 1.0 . . . . . . . . . . . . A . 11 DT P . . . . . . . . . rr_1x2y 1 . 1 . 351 . 1 1 12 DC C1' C 9.664 -13.106 -8.854 . . . 1.0 . . . . . . . . . . . . A . 12 DC C1' . . . . . . . . . rr_1x2y 1 . 1 . 352 . 1 1 12 DC C2 C 11.325 -12.026 -7.381 . . . 1.0 . . . . . . . . . . . . A . 12 DC C2 . . . . . . . . . rr_1x2y 1 . 1 . 353 . 1 1 12 DC C2' C 9.815 -14.412 -9.601 . . . 1.0 . . . . . . . . . . . . A . 12 DC C2' . . . . . . . . . rr_1x2y 1 . 1 . 354 . 1 1 12 DC C3' C 8.506 -14.571 -10.361 . . . 1.0 . . . . . . . . . . . . A . 12 DC C3' . . . . . . . . . rr_1x2y 1 . 1 . 355 . 1 1 12 DC C4 C 11.646 -12.745 -5.191 . . . 1.0 . . . . . . . . . . . . A . 12 DC C4 . . . . . . . . . rr_1x2y 1 . 1 . 356 . 1 1 12 DC C4' C 7.544 -13.573 -9.713 . . . 1.0 . . . . . . . . . . . . A . 12 DC C4' . . . . . . . . . rr_1x2y 1 . 1 . 357 . 1 1 12 DC C5 C 10.660 -13.763 -5.334 . . . 1.0 . . . . . . . . . . . . A . 12 DC C5 . . . . . . . . . rr_1x2y 1 . 1 . 358 . 1 1 12 DC C5' C 6.292 -14.164 -9.104 . . . 1.0 . . . . . . . . . . . . A . 12 DC C5' . . . . . . . . . rr_1x2y 1 . 1 . 359 . 1 1 12 DC C6 C 10.042 -13.861 -6.519 . . . 1.0 . . . . . . . . . . . . A . 12 DC C6 . . . . . . . . . rr_1x2y 1 . 1 . 360 . 1 1 12 DC H1' H 10.004 -12.277 -9.474 . . . 1.0 . . . . . . . . . . . . A . 12 DC H1' . . . . . . . . . rr_1x2y 1 . 1 . 361 . 1 1 12 DC H2' H 10.009 -15.252 -8.940 . . . 1.0 . . . . . . . . . . . . A . 12 DC H2' . . . . . . . . . rr_1x2y 1 . 1 . 362 . 1 1 12 DC H2'' H 10.657 -14.278 -10.281 . . . 1.0 . . . . . . . . . . . . A . 12 DC H2'' . . . . . . . . . rr_1x2y 1 . 1 . 363 . 1 1 12 DC H3' H 8.121 -15.591 -10.319 . . . 1.0 . . . . . . . . . . . . A . 12 DC H3' . . . . . . . . . rr_1x2y 1 . 1 . 364 . 1 1 12 DC H4' H 7.229 -12.888 -10.502 . . . 1.0 . . . . . . . . . . . . A . 12 DC H4' . . . . . . . . . rr_1x2y 1 . 1 . 365 . 1 1 12 DC H41 H 12.992 -11.877 -3.934 . . . 1.0 . . . . . . . . . . . . A . 12 DC H41 . . . . . . . . . rr_1x2y 1 . 1 . 366 . 1 1 12 DC H42 H 12.083 -13.208 -3.256 . . . 1.0 . . . . . . . . . . . . A . 12 DC H42 . . . . . . . . . rr_1x2y 1 . 1 . 367 . 1 1 12 DC H5 H 10.420 -14.438 -4.513 . . . 1.0 . . . . . . . . . . . . A . 12 DC H5 . . . . . . . . . rr_1x2y 1 . 1 . 368 . 1 1 12 DC H5' H 6.106 -13.690 -8.139 . . . 1.0 . . . . . . . . . . . . A . 12 DC H5' . . . . . . . . . rr_1x2y 1 . 1 . 369 . 1 1 12 DC H5'' H 5.450 -13.962 -9.764 . . . 1.0 . . . . . . . . . . . . A . 12 DC H5'' . . . . . . . . . rr_1x2y 1 . 1 . 370 . 1 1 12 DC H6 H 9.287 -14.632 -6.657 . . . 1.0 . . . . . . . . . . . . A . 12 DC H6 . . . . . . . . . rr_1x2y 1 . 1 . 371 . 1 1 12 DC HO3' H 9.200 -15.014 -12.125 . . . 1.0 . . . . . . . . . . . . A . 12 DC HO3' . . . . . . . . . rr_1x2y 1 . 1 . 372 . 1 1 12 DC N1 N 10.349 -13.013 -7.550 . . . 1.0 . . . . . . . . . . . . A . 12 DC N1 . . . . . . . . . rr_1x2y 1 . 1 . 373 . 1 1 12 DC N3 N 11.957 -11.916 -6.190 . . . 1.0 . . . . . . . . . . . . A . 12 DC N3 . . . . . . . . . rr_1x2y 1 . 1 . 374 . 1 1 12 DC N4 N 12.293 -12.598 -4.033 . . . 1.0 . . . . . . . . . . . . A . 12 DC N4 . . . . . . . . . rr_1x2y 1 . 1 . 375 . 1 1 12 DC O2 O 11.588 -11.274 -8.331 . . . 1.0 . . . . . . . . . . . . A . 12 DC O2 . . . . . . . . . rr_1x2y 1 . 1 . 376 . 1 1 12 DC O3' O 8.727 -14.271 -11.744 . . . 1.0 . . . . . . . . . . . . A . 12 DC O3' . . . . . . . . . rr_1x2y 1 . 1 . 377 . 1 1 12 DC O4' O 8.285 -12.923 -8.647 . . . 1.0 . . . . . . . . . . . . A . 12 DC O4' . . . . . . . . . rr_1x2y 1 . 1 . 378 . 1 1 12 DC O5' O 6.440 -15.570 -8.927 . . . 1.0 . . . . . . . . . . . . A . 12 DC O5' . . . . . . . . . rr_1x2y 1 . 1 . 379 . 1 1 12 DC OP1 O 4.483 -16.621 -10.055 . . . 1.0 . . . . . . . . . . . . A . 12 DC OP1 . . . . . . . . . rr_1x2y 1 . 1 . 380 . 1 1 12 DC OP2 O 5.594 -17.742 -8.031 . . . 1.0 . . . . . . . . . . . . A . 12 DC OP2 . . . . . . . . . rr_1x2y 1 . 1 . 381 . 1 1 12 DC P P 5.165 -16.509 -8.741 . . . 1.0 . . . . . . . . . . . . A . 12 DC P . . . . . . . . . rr_1x2y 1 . 1 . 382 . 2 1 1 DG C1' C 17.239 -6.140 -6.098 . . . 1.0 . . . . . . . . . . . . B . 13 DG C1' . . . . . . . . . rr_1x2y 1 . 1 . 383 . 2 1 1 DG C2 C 14.243 -9.245 -6.507 . . . 1.0 . . . . . . . . . . . . B . 13 DG C2 . . . . . . . . . rr_1x2y 1 . 1 . 384 . 2 1 1 DG C2' C 16.996 -4.712 -5.672 . . . 1.0 . . . . . . . . . . . . B . 13 DG C2' . . . . . . . . . rr_1x2y 1 . 1 . 385 . 2 1 1 DG C3' C 18.043 -3.983 -6.493 . . . 1.0 . . . . . . . . . . . . B . 13 DG C3' . . . . . . . . . rr_1x2y 1 . 1 . 386 . 2 1 1 DG C4 C 15.781 -8.089 -5.412 . . . 1.0 . . . . . . . . . . . . B . 13 DG C4 . . . . . . . . . rr_1x2y 1 . 1 . 387 . 2 1 1 DG C4' C 19.213 -4.964 -6.530 . . . 1.0 . . . . . . . . . . . . B . 13 DG C4' . . . . . . . . . rr_1x2y 1 . 1 . 388 . 2 1 1 DG C5 C 15.652 -8.799 -4.237 . . . 1.0 . . . . . . . . . . . . B . 13 DG C5 . . . . . . . . . rr_1x2y 1 . 1 . 389 . 2 1 1 DG C5' C 20.324 -4.677 -5.547 . . . 1.0 . . . . . . . . . . . . B . 13 DG C5' . . . . . . . . . rr_1x2y 1 . 1 . 390 . 2 1 1 DG C6 C 14.712 -9.860 -4.179 . . . 1.0 . . . . . . . . . . . . B . 13 DG C6 . . . . . . . . . rr_1x2y 1 . 1 . 391 . 2 1 1 DG C8 C 17.152 -7.338 -3.869 . . . 1.0 . . . . . . . . . . . . B . 13 DG C8 . . . . . . . . . rr_1x2y 1 . 1 . 392 . 2 1 1 DG H1 H 13.345 -10.745 -5.447 . . . 1.0 . . . . . . . . . . . . B . 13 DG H1 . . . . . . . . . rr_1x2y 1 . 1 . 393 . 2 1 1 DG H1' H 16.816 -6.345 -7.085 . . . 1.0 . . . . . . . . . . . . B . 13 DG H1' . . . . . . . . . rr_1x2y 1 . 1 . 394 . 2 1 1 DG H2' H 17.160 -4.567 -4.602 . . . 1.0 . . . . . . . . . . . . B . 13 DG H2' . . . . . . . . . rr_1x2y 1 . 1 . 395 . 2 1 1 DG H2'' H 15.989 -4.384 -5.924 . . . 1.0 . . . . . . . . . . . . B . 13 DG H2'' . . . . . . . . . rr_1x2y 1 . 1 . 396 . 2 1 1 DG H21 H 12.826 -10.300 -7.530 . . . 1.0 . . . . . . . . . . . . B . 13 DG H21 . . . . . . . . . rr_1x2y 1 . 1 . 397 . 2 1 1 DG H22 H 13.599 -9.015 -8.431 . . . 1.0 . . . . . . . . . . . . B . 13 DG H22 . . . . . . . . . rr_1x2y 1 . 1 . 398 . 2 1 1 DG H3' H 18.329 -3.027 -6.049 . . . 1.0 . . . . . . . . . . . . B . 13 DG H3' . . . . . . . . . rr_1x2y 1 . 1 . 399 . 2 1 1 DG H4' H 19.639 -4.908 -7.533 . . . 1.0 . . . . . . . . . . . . B . 13 DG H4' . . . . . . . . . rr_1x2y 1 . 1 . 400 . 2 1 1 DG H5' H 21.112 -5.422 -5.670 . . . 1.0 . . . . . . . . . . . . B . 13 DG H5' . . . . . . . . . rr_1x2y 1 . 1 . 401 . 2 1 1 DG H5'' H 20.735 -3.691 -5.759 . . . 1.0 . . . . . . . . . . . . B . 13 DG H5'' . . . . . . . . . rr_1x2y 1 . 1 . 402 . 2 1 1 DG H8 H 17.931 -6.755 -3.400 . . . 1.0 . . . . . . . . . . . . B . 13 DG H8 . . . . . . . . . rr_1x2y 1 . 1 . 403 . 2 1 1 DG HO5' H 20.585 -4.886 -3.631 . . . 1.0 . . . . . . . . . . . . B . 13 DG HO5' . . . . . . . . . rr_1x2y 1 . 1 . 404 . 2 1 1 DG N1 N 14.038 -10.013 -5.387 . . . 1.0 . . . . . . . . . . . . B . 13 DG N1 . . . . . . . . . rr_1x2y 1 . 1 . 405 . 2 1 1 DG N2 N 13.495 -9.545 -7.577 . . . 1.0 . . . . . . . . . . . . B . 13 DG N2 . . . . . . . . . rr_1x2y 1 . 1 . 406 . 2 1 1 DG N3 N 15.116 -8.255 -6.574 . . . 1.0 . . . . . . . . . . . . B . 13 DG N3 . . . . . . . . . rr_1x2y 1 . 1 . 407 . 2 1 1 DG N7 N 16.522 -8.312 -3.271 . . . 1.0 . . . . . . . . . . . . B . 13 DG N7 . . . . . . . . . rr_1x2y 1 . 1 . 408 . 2 1 1 DG N9 N 16.748 -7.147 -5.165 . . . 1.0 . . . . . . . . . . . . B . 13 DG N9 . . . . . . . . . rr_1x2y 1 . 1 . 409 . 2 1 1 DG O3' O 17.575 -3.705 -7.814 . . . 1.0 . . . . . . . . . . . . B . 13 DG O3' . . . . . . . . . rr_1x2y 1 . 1 . 410 . 2 1 1 DG O4' O 18.639 -6.265 -6.214 . . . 1.0 . . . . . . . . . . . . B . 13 DG O4' . . . . . . . . . rr_1x2y 1 . 1 . 411 . 2 1 1 DG O5' O 19.834 -4.716 -4.205 . . . 1.0 . . . . . . . . . . . . B . 13 DG O5' . . . . . . . . . rr_1x2y 1 . 1 . 412 . 2 1 1 DG O6 O 14.451 -10.608 -3.228 . . . 1.0 . . . . . . . . . . . . B . 13 DG O6 . . . . . . . . . rr_1x2y 1 . 1 . 413 . 2 1 2 DA C1' C 11.989 -6.246 -8.030 . . . 1.0 . . . . . . . . . . . . B . 14 DA C1' . . . . . . . . . rr_1x2y 1 . 1 . 414 . 2 1 2 DA C2 C 9.383 -9.435 -6.549 . . . 1.0 . . . . . . . . . . . . B . 14 DA C2 . . . . . . . . . rr_1x2y 1 . 1 . 415 . 2 1 2 DA C2' C 11.892 -4.740 -8.004 . . . 1.0 . . . . . . . . . . . . B . 14 DA C2' . . . . . . . . . rr_1x2y 1 . 1 . 416 . 2 1 2 DA C3' C 12.646 -4.359 -9.266 . . . 1.0 . . . . . . . . . . . . B . 14 DA C3' . . . . . . . . . rr_1x2y 1 . 1 . 417 . 2 1 2 DA C4 C 10.953 -7.900 -6.404 . . . 1.0 . . . . . . . . . . . . B . 14 DA C4 . . . . . . . . . rr_1x2y 1 . 1 . 418 . 2 1 2 DA C4' C 13.707 -5.450 -9.403 . . . 1.0 . . . . . . . . . . . . B . 14 DA C4' . . . . . . . . . rr_1x2y 1 . 1 . 419 . 2 1 2 DA C5 C 11.176 -8.174 -5.067 . . . 1.0 . . . . . . . . . . . . B . 14 DA C5 . . . . . . . . . rr_1x2y 1 . 1 . 420 . 2 1 2 DA C5' C 15.112 -5.044 -9.020 . . . 1.0 . . . . . . . . . . . . B . 14 DA C5' . . . . . . . . . rr_1x2y 1 . 1 . 421 . 2 1 2 DA C6 C 10.398 -9.189 -4.485 . . . 1.0 . . . . . . . . . . . . B . 14 DA C6 . . . . . . . . . rr_1x2y 1 . 1 . 422 . 2 1 2 DA C8 C 12.517 -6.607 -5.580 . . . 1.0 . . . . . . . . . . . . B . 14 DA C8 . . . . . . . . . rr_1x2y 1 . 1 . 423 . 2 1 2 DA H1' H 11.276 -6.686 -8.730 . . . 1.0 . . . . . . . . . . . . B . 14 DA H1' . . . . . . . . . rr_1x2y 1 . 1 . 424 . 2 1 2 DA H2 H 8.622 -9.958 -7.128 . . . 1.0 . . . . . . . . . . . . B . 14 DA H2 . . . . . . . . . rr_1x2y 1 . 1 . 425 . 2 1 2 DA H2' H 12.361 -4.312 -7.119 . . . 1.0 . . . . . . . . . . . . B . 14 DA H2' . . . . . . . . . rr_1x2y 1 . 1 . 426 . 2 1 2 DA H2'' H 10.854 -4.421 -8.043 . . . 1.0 . . . . . . . . . . . . B . 14 DA H2'' . . . . . . . . . rr_1x2y 1 . 1 . 427 . 2 1 2 DA H3' H 13.095 -3.366 -9.197 . . . 1.0 . . . . . . . . . . . . B . 14 DA H3' . . . . . . . . . rr_1x2y 1 . 1 . 428 . 2 1 2 DA H4' H 13.727 -5.734 -10.456 . . . 1.0 . . . . . . . . . . . . B . 14 DA H4' . . . . . . . . . rr_1x2y 1 . 1 . 429 . 2 1 2 DA H5' H 15.633 -5.906 -8.603 . . . 1.0 . . . . . . . . . . . . B . 14 DA H5' . . . . . . . . . rr_1x2y 1 . 1 . 430 . 2 1 2 DA H5'' H 15.639 -4.711 -9.914 . . . 1.0 . . . . . . . . . . . . B . 14 DA H5'' . . . . . . . . . rr_1x2y 1 . 1 . 431 . 2 1 2 DA H61 H 9.918 -10.304 -2.849 . . . 1.0 . . . . . . . . . . . . B . 14 DA H61 . . . . . . . . . rr_1x2y 1 . 1 . 432 . 2 1 2 DA H62 H 11.177 -9.115 -2.604 . . . 1.0 . . . . . . . . . . . . B . 14 DA H62 . . . . . . . . . rr_1x2y 1 . 1 . 433 . 2 1 2 DA H8 H 13.270 -5.837 -5.524 . . . 1.0 . . . . . . . . . . . . B . 14 DA H8 . . . . . . . . . rr_1x2y 1 . 1 . 434 . 2 1 2 DA N1 N 9.492 -9.813 -5.269 . . . 1.0 . . . . . . . . . . . . B . 14 DA N1 . . . . . . . . . rr_1x2y 1 . 1 . 435 . 2 1 2 DA N3 N 10.063 -8.501 -7.212 . . . 1.0 . . . . . . . . . . . . B . 14 DA N3 . . . . . . . . . rr_1x2y 1 . 1 . 436 . 2 1 2 DA N6 N 10.506 -9.567 -3.209 . . . 1.0 . . . . . . . . . . . . B . 14 DA N6 . . . . . . . . . rr_1x2y 1 . 1 . 437 . 2 1 2 DA N7 N 12.170 -7.350 -4.557 . . . 1.0 . . . . . . . . . . . . B . 14 DA N7 . . . . . . . . . rr_1x2y 1 . 1 . 438 . 2 1 2 DA N9 N 11.827 -6.890 -6.728 . . . 1.0 . . . . . . . . . . . . B . 14 DA N9 . . . . . . . . . rr_1x2y 1 . 1 . 439 . 2 1 2 DA O3' O 11.796 -4.350 -10.413 . . . 1.0 . . . . . . . . . . . . B . 14 DA O3' . . . . . . . . . rr_1x2y 1 . 1 . 440 . 2 1 2 DA O4' O 13.280 -6.529 -8.521 . . . 1.0 . . . . . . . . . . . . B . 14 DA O4' . . . . . . . . . rr_1x2y 1 . 1 . 441 . 2 1 2 DA O5' O 15.079 -3.991 -8.058 . . . 1.0 . . . . . . . . . . . . B . 14 DA O5' . . . . . . . . . rr_1x2y 1 . 1 . 442 . 2 1 2 DA OP1 O 16.284 -2.250 -9.371 . . . 1.0 . . . . . . . . . . . . B . 14 DA OP1 . . . . . . . . . rr_1x2y 1 . 1 . 443 . 2 1 2 DA OP2 O 15.991 -2.016 -6.832 . . . 1.0 . . . . . . . . . . . . B . 14 DA OP2 . . . . . . . . . rr_1x2y 1 . 1 . 444 . 2 1 2 DA P P 16.214 -2.873 -8.025 . . . 1.0 . . . . . . . . . . . . B . 14 DA P . . . . . . . . . rr_1x2y 1 . 1 . 445 . 2 1 3 DC C1' C 6.849 -6.430 -9.004 . . . 1.0 . . . . . . . . . . . . B . 15 DC C1' . . . . . . . . . rr_1x2y 1 . 1 . 446 . 2 1 3 DC C2 C 6.768 -7.349 -6.710 . . . 1.0 . . . . . . . . . . . . B . 15 DC C2 . . . . . . . . . rr_1x2y 1 . 1 . 447 . 2 1 3 DC C2' C 6.315 -5.099 -9.495 . . . 1.0 . . . . . . . . . . . . B . 15 DC C2' . . . . . . . . . rr_1x2y 1 . 1 . 448 . 2 1 3 DC C3' C 6.550 -5.189 -10.991 . . . 1.0 . . . . . . . . . . . . B . 15 DC C3' . . . . . . . . . rr_1x2y 1 . 1 . 449 . 2 1 3 DC C4 C 8.148 -6.506 -5.037 . . . 1.0 . . . . . . . . . . . . B . 15 DC C4 . . . . . . . . . rr_1x2y 1 . 1 . 450 . 2 1 3 DC C4' C 7.793 -6.064 -11.120 . . . 1.0 . . . . . . . . . . . . B . 15 DC C4' . . . . . . . . . rr_1x2y 1 . 1 . 451 . 2 1 3 DC C5 C 8.731 -5.563 -5.932 . . . 1.0 . . . . . . . . . . . . B . 15 DC C5 . . . . . . . . . rr_1x2y 1 . 1 . 452 . 2 1 3 DC C5' C 9.079 -5.320 -11.392 . . . 1.0 . . . . . . . . . . . . B . 15 DC C5' . . . . . . . . . rr_1x2y 1 . 1 . 453 . 2 1 3 DC C6 C 8.291 -5.561 -7.197 . . . 1.0 . . . . . . . . . . . . B . 15 DC C6 . . . . . . . . . rr_1x2y 1 . 1 . 454 . 2 1 3 DC H1' H 6.104 -7.220 -9.116 . . . 1.0 . . . . . . . . . . . . B . 15 DC H1' . . . . . . . . . rr_1x2y 1 . 1 . 455 . 2 1 3 DC H2' H 6.848 -4.255 -9.060 . . . 1.0 . . . . . . . . . . . . B . 15 DC H2' . . . . . . . . . rr_1x2y 1 . 1 . 456 . 2 1 3 DC H2'' H 5.254 -5.007 -9.264 . . . 1.0 . . . . . . . . . . . . B . 15 DC H2'' . . . . . . . . . rr_1x2y 1 . 1 . 457 . 2 1 3 DC H3' H 6.699 -4.207 -11.446 . . . 1.0 . . . . . . . . . . . . B . 15 DC H3' . . . . . . . . . rr_1x2y 1 . 1 . 458 . 2 1 3 DC H4' H 7.618 -6.732 -11.964 . . . 1.0 . . . . . . . . . . . . B . 15 DC H4' . . . . . . . . . rr_1x2y 1 . 1 . 459 . 2 1 3 DC H41 H 8.132 -7.221 -3.129 . . . 1.0 . . . . . . . . . . . . B . 15 DC H41 . . . . . . . . . rr_1x2y 1 . 1 . 460 . 2 1 3 DC H42 H 9.260 -5.920 -3.435 . . . 1.0 . . . . . . . . . . . . B . 15 DC H42 . . . . . . . . . rr_1x2y 1 . 1 . 461 . 2 1 3 DC H5 H 9.505 -4.871 -5.601 . . . 1.0 . . . . . . . . . . . . B . 15 DC H5 . . . . . . . . . rr_1x2y 1 . 1 . 462 . 2 1 3 DC H5' H 9.912 -6.024 -11.370 . . . 1.0 . . . . . . . . . . . . B . 15 DC H5' . . . . . . . . . rr_1x2y 1 . 1 . 463 . 2 1 3 DC H5'' H 9.023 -4.868 -12.382 . . . 1.0 . . . . . . . . . . . . B . 15 DC H5'' . . . . . . . . . rr_1x2y 1 . 1 . 464 . 2 1 3 DC H6 H 8.709 -4.846 -7.906 . . . 1.0 . . . . . . . . . . . . B . 15 DC H6 . . . . . . . . . rr_1x2y 1 . 1 . 465 . 2 1 3 DC N1 N 7.324 -6.434 -7.610 . . . 1.0 . . . . . . . . . . . . B . 15 DC N1 . . . . . . . . . rr_1x2y 1 . 1 . 466 . 2 1 3 DC N3 N 7.200 -7.361 -5.428 . . . 1.0 . . . . . . . . . . . . B . 15 DC N3 . . . . . . . . . rr_1x2y 1 . 1 . 467 . 2 1 3 DC N4 N 8.545 -6.553 -3.764 . . . 1.0 . . . . . . . . . . . . B . 15 DC N4 . . . . . . . . . rr_1x2y 1 . 1 . 468 . 2 1 3 DC O2 O 5.889 -8.129 -7.110 . . . 1.0 . . . . . . . . . . . . B . 15 DC O2 . . . . . . . . . rr_1x2y 1 . 1 . 469 . 2 1 3 DC O3' O 5.439 -5.786 -11.658 . . . 1.0 . . . . . . . . . . . . B . 15 DC O3' . . . . . . . . . rr_1x2y 1 . 1 . 470 . 2 1 3 DC O4' O 7.931 -6.760 -9.848 . . . 1.0 . . . . . . . . . . . . B . 15 DC O4' . . . . . . . . . rr_1x2y 1 . 1 . 471 . 2 1 3 DC O5' O 9.280 -4.307 -10.409 . . . 1.0 . . . . . . . . . . . . B . 15 DC O5' . . . . . . . . . rr_1x2y 1 . 1 . 472 . 2 1 3 DC OP1 O 10.564 -2.709 -11.823 . . . 1.0 . . . . . . . . . . . . B . 15 DC OP1 . . . . . . . . . rr_1x2y 1 . 1 . 473 . 2 1 3 DC OP2 O 10.546 -2.483 -9.267 . . . 1.0 . . . . . . . . . . . . B . 15 DC OP2 . . . . . . . . . rr_1x2y 1 . 1 . 474 . 2 1 3 DC P P 10.545 -3.341 -10.479 . . . 1.0 . . . . . . . . . . . . B . 15 DC P . . . . . . . . . rr_1x2y 1 . 1 . 475 . 2 1 4 DT C1' C 1.801 -7.313 -7.583 . . . 1.0 . . . . . . . . . . . . B . 16 DT C1' . . . . . . . . . rr_1x2y 1 . 1 . 476 . 2 1 4 DT C2 C 2.560 -7.345 -5.251 . . . 1.0 . . . . . . . . . . . . B . 16 DT C2 . . . . . . . . . rr_1x2y 1 . 1 . 477 . 2 1 4 DT C2' C 0.897 -6.284 -8.226 . . . 1.0 . . . . . . . . . . . . B . 16 DT C2' . . . . . . . . . rr_1x2y 1 . 1 . 478 . 2 1 4 DT C3' C 0.636 -6.889 -9.595 . . . 1.0 . . . . . . . . . . . . B . 16 DT C3' . . . . . . . . . rr_1x2y 1 . 1 . 479 . 2 1 4 DT C4 C 4.350 -5.822 -4.516 . . . 1.0 . . . . . . . . . . . . B . 16 DT C4 . . . . . . . . . rr_1x2y 1 . 1 . 480 . 2 1 4 DT C4' C 1.869 -7.747 -9.875 . . . 1.0 . . . . . . . . . . . . B . 16 DT C4' . . . . . . . . . rr_1x2y 1 . 1 . 481 . 2 1 4 DT C5 C 4.412 -5.289 -5.858 . . . 1.0 . . . . . . . . . . . . B . 16 DT C5 . . . . . . . . . rr_1x2y 1 . 1 . 482 . 2 1 4 DT C5' C 2.794 -7.218 -10.946 . . . 1.0 . . . . . . . . . . . . B . 16 DT C5' . . . . . . . . . rr_1x2y 1 . 1 . 483 . 2 1 4 DT C6 C 3.581 -5.796 -6.781 . . . 1.0 . . . . . . . . . . . . B . 16 DT C6 . . . . . . . . . rr_1x2y 1 . 1 . 484 . 2 1 4 DT C7 C 5.387 -4.195 -6.158 . . . 1.0 . . . . . . . . . . . . B . 16 DT C7 . . . . . . . . . rr_1x2y 1 . 1 . 485 . 2 1 4 DT H1' H 1.231 -8.154 -7.190 . . . 1.0 . . . . . . . . . . . . B . 16 DT H1' . . . . . . . . . rr_1x2y 1 . 1 . 486 . 2 1 4 DT H2' H 1.376 -5.308 -8.309 . . . 1.0 . . . . . . . . . . . . B . 16 DT H2' . . . . . . . . . rr_1x2y 1 . 1 . 487 . 2 1 4 DT H2'' H -0.025 -6.182 -7.653 . . . 1.0 . . . . . . . . . . . . B . 16 DT H2'' . . . . . . . . . rr_1x2y 1 . 1 . 488 . 2 1 4 DT H3 H 3.355 -7.199 -3.388 . . . 1.0 . . . . . . . . . . . . B . 16 DT H3 . . . . . . . . . rr_1x2y 1 . 1 . 489 . 2 1 4 DT H3' H 0.494 -6.126 -10.363 . . . 1.0 . . . . . . . . . . . . B . 16 DT H3' . . . . . . . . . rr_1x2y 1 . 1 . 490 . 2 1 4 DT H4' H 1.502 -8.718 -10.213 . . . 1.0 . . . . . . . . . . . . B . 16 DT H4' . . . . . . . . . rr_1x2y 1 . 1 . 491 . 2 1 4 DT H5' H 3.708 -7.813 -10.957 . . . 1.0 . . . . . . . . . . . . B . 16 DT H5' . . . . . . . . . rr_1x2y 1 . 1 . 492 . 2 1 4 DT H5'' H 2.301 -7.307 -11.914 . . . 1.0 . . . . . . . . . . . . B . 16 DT H5'' . . . . . . . . . rr_1x2y 1 . 1 . 493 . 2 1 4 DT H6 H 3.620 -5.395 -7.792 . . . 1.0 . . . . . . . . . . . . B . 16 DT H6 . . . . . . . . . rr_1x2y 1 . 1 . 494 . 2 1 4 DT H71 H 5.629 -4.203 -7.220 . . . 1.0 . . . . . . . . . . . . B . 16 DT H71 . . . . . . . . . rr_1x2y 1 . 1 . 495 . 2 1 4 DT H72 H 6.297 -4.348 -5.578 . . . 1.0 . . . . . . . . . . . . B . 16 DT H72 . . . . . . . . . rr_1x2y 1 . 1 . 496 . 2 1 4 DT H73 H 4.947 -3.233 -5.895 . . . 1.0 . . . . . . . . . . . . B . 16 DT H73 . . . . . . . . . rr_1x2y 1 . 1 . 497 . 2 1 4 DT N1 N 2.675 -6.799 -6.511 . . . 1.0 . . . . . . . . . . . . B . 16 DT N1 . . . . . . . . . rr_1x2y 1 . 1 . 498 . 2 1 4 DT N3 N 3.416 -6.817 -4.320 . . . 1.0 . . . . . . . . . . . . B . 16 DT N3 . . . . . . . . . rr_1x2y 1 . 1 . 499 . 2 1 4 DT O2 O 1.762 -8.227 -4.975 . . . 1.0 . . . . . . . . . . . . B . 16 DT O2 . . . . . . . . . rr_1x2y 1 . 1 . 500 . 2 1 4 DT O3' O -0.546 -7.689 -9.590 . . . 1.0 . . . . . . . . . . . . B . 16 DT O3' . . . . . . . . . rr_1x2y 1 . 1 . 501 . 2 1 4 DT O4 O 5.060 -5.457 -3.583 . . . 1.0 . . . . . . . . . . . . B . 16 DT O4 . . . . . . . . . rr_1x2y 1 . 1 . 502 . 2 1 4 DT O4' O 2.608 -7.811 -8.623 . . . 1.0 . . . . . . . . . . . . B . 16 DT O4' . . . . . . . . . rr_1x2y 1 . 1 . 503 . 2 1 4 DT O5' O 3.112 -5.852 -10.690 . . . 1.0 . . . . . . . . . . . . B . 16 DT O5' . . . . . . . . . rr_1x2y 1 . 1 . 504 . 2 1 4 DT OP1 O 3.472 -5.195 -13.067 . . . 1.0 . . . . . . . . . . . . B . 16 DT OP1 . . . . . . . . . rr_1x2y 1 . 1 . 505 . 2 1 4 DT OP2 O 4.201 -3.654 -11.148 . . . 1.0 . . . . . . . . . . . . B . 16 DT OP2 . . . . . . . . . rr_1x2y 1 . 1 . 506 . 2 1 4 DT P P 4.024 -5.022 -11.700 . . . 1.0 . . . . . . . . . . . . B . 16 DT P . . . . . . . . . rr_1x2y 1 . 1 . 507 . 2 1 5 DG C1' C -1.675 -7.262 -3.939 . . . 1.0 . . . . . . . . . . . . B . 17 DG C1' . . . . . . . . . rr_1x2y 1 . 1 . 508 . 2 1 5 DG C2 C 0.328 -6.546 -0.159 . . . 1.0 . . . . . . . . . . . . B . 17 DG C2 . . . . . . . . . rr_1x2y 1 . 1 . 509 . 2 1 5 DG C2' C -2.919 -6.588 -4.474 . . . 1.0 . . . . . . . . . . . . B . 17 DG C2' . . . . . . . . . rr_1x2y 1 . 1 . 510 . 2 1 5 DG C3' C -3.575 -7.710 -5.261 . . . 1.0 . . . . . . . . . . . . B . 17 DG C3' . . . . . . . . . rr_1x2y 1 . 1 . 511 . 2 1 5 DG C4 C -0.024 -6.228 -2.322 . . . 1.0 . . . . . . . . . . . . B . 17 DG C4 . . . . . . . . . rr_1x2y 1 . 1 . 512 . 2 1 5 DG C4' C -2.411 -8.606 -5.689 . . . 1.0 . . . . . . . . . . . . B . 17 DG C4' . . . . . . . . . rr_1x2y 1 . 1 . 513 . 2 1 5 DG C5 C 0.975 -5.289 -2.470 . . . 1.0 . . . . . . . . . . . . B . 17 DG C5 . . . . . . . . . rr_1x2y 1 . 1 . 514 . 2 1 5 DG C5' C -2.106 -8.614 -7.169 . . . 1.0 . . . . . . . . . . . . B . 17 DG C5' . . . . . . . . . rr_1x2y 1 . 1 . 515 . 2 1 5 DG C6 C 1.750 -4.931 -1.337 . . . 1.0 . . . . . . . . . . . . B . 17 DG C6 . . . . . . . . . rr_1x2y 1 . 1 . 516 . 2 1 5 DG C8 C 0.101 -5.506 -4.396 . . . 1.0 . . . . . . . . . . . . B . 17 DG C8 . . . . . . . . . rr_1x2y 1 . 1 . 517 . 2 1 5 DG H1 H 1.842 -5.435 0.659 . . . 1.0 . . . . . . . . . . . . B . 17 DG H1 . . . . . . . . . rr_1x2y 1 . 1 . 518 . 2 1 5 DG H1' H -1.902 -7.904 -3.085 . . . 1.0 . . . . . . . . . . . . B . 17 DG H1' . . . . . . . . . rr_1x2y 1 . 1 . 519 . 2 1 5 DG H2' H -2.684 -5.739 -5.116 . . . 1.0 . . . . . . . . . . . . B . 17 DG H2' . . . . . . . . . rr_1x2y 1 . 1 . 520 . 2 1 5 DG H2'' H -3.555 -6.251 -3.657 . . . 1.0 . . . . . . . . . . . . B . 17 DG H2'' . . . . . . . . . rr_1x2y 1 . 1 . 521 . 2 1 5 DG H21 H 0.638 -6.846 1.837 . . . 1.0 . . . . . . . . . . . . B . 17 DG H21 . . . . . . . . . rr_1x2y 1 . 1 . 522 . 2 1 5 DG H22 H -0.653 -7.791 1.129 . . . 1.0 . . . . . . . . . . . . B . 17 DG H22 . . . . . . . . . rr_1x2y 1 . 1 . 523 . 2 1 5 DG H3' H -4.134 -7.339 -6.123 . . . 1.0 . . . . . . . . . . . . B . 17 DG H3' . . . . . . . . . rr_1x2y 1 . 1 . 524 . 2 1 5 DG H4' H -2.683 -9.625 -5.408 . . . 1.0 . . . . . . . . . . . . B . 17 DG H4' . . . . . . . . . rr_1x2y 1 . 1 . 525 . 2 1 5 DG H5' H -1.111 -9.034 -7.328 . . . 1.0 . . . . . . . . . . . . B . 17 DG H5' . . . . . . . . . rr_1x2y 1 . 1 . 526 . 2 1 5 DG H5'' H -2.838 -9.240 -7.678 . . . 1.0 . . . . . . . . . . . . B . 17 DG H5'' . . . . . . . . . rr_1x2y 1 . 1 . 527 . 2 1 5 DG H8 H -0.114 -5.397 -5.448 . . . 1.0 . . . . . . . . . . . . B . 17 DG H8 . . . . . . . . . rr_1x2y 1 . 1 . 528 . 2 1 5 DG N1 N 1.346 -5.625 -0.201 . . . 1.0 . . . . . . . . . . . . B . 17 DG N1 . . . . . . . . . rr_1x2y 1 . 1 . 529 . 2 1 5 DG N2 N 0.084 -7.107 1.034 . . . 1.0 . . . . . . . . . . . . B . 17 DG N2 . . . . . . . . . rr_1x2y 1 . 1 . 530 . 2 1 5 DG N3 N -0.400 -6.891 -1.208 . . . 1.0 . . . . . . . . . . . . B . 17 DG N3 . . . . . . . . . rr_1x2y 1 . 1 . 531 . 2 1 5 DG N7 N 1.041 -4.842 -3.782 . . . 1.0 . . . . . . . . . . . . B . 17 DG N7 . . . . . . . . . rr_1x2y 1 . 1 . 532 . 2 1 5 DG N9 N -0.581 -6.367 -3.572 . . . 1.0 . . . . . . . . . . . . B . 17 DG N9 . . . . . . . . . rr_1x2y 1 . 1 . 533 . 2 1 5 DG O3' O -4.500 -8.436 -4.453 . . . 1.0 . . . . . . . . . . . . B . 17 DG O3' . . . . . . . . . rr_1x2y 1 . 1 . 534 . 2 1 5 DG O4' O -1.245 -8.103 -4.979 . . . 1.0 . . . . . . . . . . . . B . 17 DG O4' . . . . . . . . . rr_1x2y 1 . 1 . 535 . 2 1 5 DG O5' O -2.157 -7.289 -7.691 . . . 1.0 . . . . . . . . . . . . B . 17 DG O5' . . . . . . . . . rr_1x2y 1 . 1 . 536 . 2 1 5 DG O6 O 2.683 -4.122 -1.266 . . . 1.0 . . . . . . . . . . . . B . 17 DG O6 . . . . . . . . . rr_1x2y 1 . 1 . 537 . 2 1 5 DG OP1 O -3.019 -7.767 -9.983 . . . 1.0 . . . . . . . . . . . . B . 17 DG OP1 . . . . . . . . . rr_1x2y 1 . 1 . 538 . 2 1 5 DG OP2 O -1.839 -5.551 -9.449 . . . 1.0 . . . . . . . . . . . . B . 17 DG OP2 . . . . . . . . . rr_1x2y 1 . 1 . 539 . 2 1 5 DG P P -1.968 -7.017 -9.250 . . . 1.0 . . . . . . . . . . . . B . 17 DG P . . . . . . . . . rr_1x2y 1 . 1 . 540 . 2 1 6 DT C1' C -3.897 -6.076 0.640 . . . 1.0 . . . . . . . . . . . . B . 18 DT C1' . . . . . . . . . rr_1x2y 1 . 1 . 541 . 2 1 6 DT C2 C -2.123 -4.392 0.749 . . . 1.0 . . . . . . . . . . . . B . 18 DT C2 . . . . . . . . . rr_1x2y 1 . 1 . 542 . 2 1 6 DT C2' C -5.385 -5.801 0.707 . . . 1.0 . . . . . . . . . . . . B . 18 DT C2' . . . . . . . . . rr_1x2y 1 . 1 . 543 . 2 1 6 DT C3' C -5.998 -7.191 0.683 . . . 1.0 . . . . . . . . . . . . B . 18 DT C3' . . . . . . . . . rr_1x2y 1 . 1 . 544 . 2 1 6 DT C4 C -1.568 -3.033 -1.229 . . . 1.0 . . . . . . . . . . . . B . 18 DT C4 . . . . . . . . . rr_1x2y 1 . 1 . 545 . 2 1 6 DT C4' C -4.949 -8.068 0.000 . . . 1.0 . . . . . . . . . . . . B . 18 DT C4' . . . . . . . . . rr_1x2y 1 . 1 . 546 . 2 1 6 DT C5 C -2.609 -3.717 -1.960 . . . 1.0 . . . . . . . . . . . . B . 18 DT C5 . . . . . . . . . rr_1x2y 1 . 1 . 547 . 2 1 6 DT C5' C -5.313 -8.556 -1.383 . . . 1.0 . . . . . . . . . . . . B . 18 DT C5' . . . . . . . . . rr_1x2y 1 . 1 . 548 . 2 1 6 DT C6 C -3.322 -4.656 -1.322 . . . 1.0 . . . . . . . . . . . . B . 18 DT C6 . . . . . . . . . rr_1x2y 1 . 1 . 549 . 2 1 6 DT C7 C -2.844 -3.355 -3.393 . . . 1.0 . . . . . . . . . . . . B . 18 DT C7 . . . . . . . . . rr_1x2y 1 . 1 . 550 . 2 1 6 DT H1' H -3.481 -6.269 1.636 . . . 1.0 . . . . . . . . . . . . B . 18 DT H1' . . . . . . . . . rr_1x2y 1 . 1 . 551 . 2 1 6 DT H2' H -5.732 -5.199 -0.133 . . . 1.0 . . . . . . . . . . . . B . 18 DT H2' . . . . . . . . . rr_1x2y 1 . 1 . 552 . 2 1 6 DT H2'' H -5.618 -5.281 1.638 . . . 1.0 . . . . . . . . . . . . B . 18 DT H2'' . . . . . . . . . rr_1x2y 1 . 1 . 553 . 2 1 6 DT H3 H -0.697 -2.953 0.609 . . . 1.0 . . . . . . . . . . . . B . 18 DT H3 . . . . . . . . . rr_1x2y 1 . 1 . 554 . 2 1 6 DT H3' H -6.949 -7.212 0.147 . . . 1.0 . . . . . . . . . . . . B . 18 DT H3' . . . . . . . . . rr_1x2y 1 . 1 . 555 . 2 1 6 DT H4' H -4.825 -8.949 0.631 . . . 1.0 . . . . . . . . . . . . B . 18 DT H4' . . . . . . . . . rr_1x2y 1 . 1 . 556 . 2 1 6 DT H5' H -4.563 -9.273 -1.719 . . . 1.0 . . . . . . . . . . . . B . 18 DT H5' . . . . . . . . . rr_1x2y 1 . 1 . 557 . 2 1 6 DT H5'' H -6.282 -9.051 -1.340 . . . 1.0 . . . . . . . . . . . . B . 18 DT H5'' . . . . . . . . . rr_1x2y 1 . 1 . 558 . 2 1 6 DT H6 H -4.132 -5.147 -1.866 . . . 1.0 . . . . . . . . . . . . B . 18 DT H6 . . . . . . . . . rr_1x2y 1 . 1 . 559 . 2 1 6 DT H71 H -3.760 -3.830 -3.744 . . . 1.0 . . . . . . . . . . . . B . 18 DT H71 . . . . . . . . . rr_1x2y 1 . 1 . 560 . 2 1 6 DT H72 H -2.003 -3.697 -3.997 . . . 1.0 . . . . . . . . . . . . B . 18 DT H72 . . . . . . . . . rr_1x2y 1 . 1 . 561 . 2 1 6 DT H73 H -2.939 -2.272 -3.484 . . . 1.0 . . . . . . . . . . . . B . 18 DT H73 . . . . . . . . . rr_1x2y 1 . 1 . 562 . 2 1 6 DT N1 N -3.097 -5.011 -0.003 . . . 1.0 . . . . . . . . . . . . B . 18 DT N1 . . . . . . . . . rr_1x2y 1 . 1 . 563 . 2 1 6 DT N3 N -1.411 -3.430 0.082 . . . 1.0 . . . . . . . . . . . . B . 18 DT N3 . . . . . . . . . rr_1x2y 1 . 1 . 564 . 2 1 6 DT O2 O -1.904 -4.669 1.918 . . . 1.0 . . . . . . . . . . . . B . 18 DT O2 . . . . . . . . . rr_1x2y 1 . 1 . 565 . 2 1 6 DT O3' O -6.264 -7.660 2.004 . . . 1.0 . . . . . . . . . . . . B . 18 DT O3' . . . . . . . . . rr_1x2y 1 . 1 . 566 . 2 1 6 DT O4 O -0.845 -2.154 -1.691 . . . 1.0 . . . . . . . . . . . . B . 18 DT O4 . . . . . . . . . rr_1x2y 1 . 1 . 567 . 2 1 6 DT O4' O -3.744 -7.261 -0.108 . . . 1.0 . . . . . . . . . . . . B . 18 DT O4' . . . . . . . . . rr_1x2y 1 . 1 . 568 . 2 1 6 DT O5' O -5.371 -7.460 -2.295 . . . 1.0 . . . . . . . . . . . . B . 18 DT O5' . . . . . . . . . rr_1x2y 1 . 1 . 569 . 2 1 6 DT OP1 O -6.929 -8.621 -3.862 . . . 1.0 . . . . . . . . . . . . B . 18 DT OP1 . . . . . . . . . rr_1x2y 1 . 1 . 570 . 2 1 6 DT OP2 O -5.891 -6.352 -4.466 . . . 1.0 . . . . . . . . . . . . B . 18 DT OP2 . . . . . . . . . rr_1x2y 1 . 1 . 571 . 2 1 6 DT P P -5.776 -7.685 -3.820 . . . 1.0 . . . . . . . . . . . . B . 18 DT P . . . . . . . . . rr_1x2y 1 . 1 . 572 . 2 1 7 DG C1' C -4.004 -3.530 5.510 . . . 1.0 . . . . . . . . . . . . B . 19 DG C1' . . . . . . . . . rr_1x2y 1 . 1 . 573 . 2 1 7 DG C2 C -0.851 -0.549 5.550 . . . 1.0 . . . . . . . . . . . . B . 19 DG C2 . . . . . . . . . rr_1x2y 1 . 1 . 574 . 2 1 7 DG C2' C -5.499 -3.426 5.718 . . . 1.0 . . . . . . . . . . . . B . 19 DG C2' . . . . . . . . . rr_1x2y 1 . 1 . 575 . 2 1 7 DG C3' C -5.843 -4.785 6.300 . . . 1.0 . . . . . . . . . . . . B . 19 DG C3' . . . . . . . . . rr_1x2y 1 . 1 . 576 . 2 1 7 DG C4 C -2.453 -1.747 4.601 . . . 1.0 . . . . . . . . . . . . B . 19 DG C4 . . . . . . . . . rr_1x2y 1 . 1 . 577 . 2 1 7 DG C4' C -4.799 -5.725 5.698 . . . 1.0 . . . . . . . . . . . . B . 19 DG C4' . . . . . . . . . rr_1x2y 1 . 1 . 578 . 2 1 7 DG C5 C -2.296 -1.187 3.351 . . . 1.0 . . . . . . . . . . . . B . 19 DG C5 . . . . . . . . . rr_1x2y 1 . 1 . 579 . 2 1 7 DG C5' C -5.294 -6.625 4.588 . . . 1.0 . . . . . . . . . . . . B . 19 DG C5' . . . . . . . . . rr_1x2y 1 . 1 . 580 . 2 1 7 DG C6 C -1.304 -0.193 3.166 . . . 1.0 . . . . . . . . . . . . B . 19 DG C6 . . . . . . . . . rr_1x2y 1 . 1 . 581 . 2 1 7 DG C8 C -3.867 -2.605 3.152 . . . 1.0 . . . . . . . . . . . . B . 19 DG C8 . . . . . . . . . rr_1x2y 1 . 1 . 582 . 2 1 7 DG H1 H 0.119 0.762 4.320 . . . 1.0 . . . . . . . . . . . . B . 19 DG H1 . . . . . . . . . rr_1x2y 1 . 1 . 583 . 2 1 7 DG H1' H -3.460 -3.333 6.435 . . . 1.0 . . . . . . . . . . . . B . 19 DG H1' . . . . . . . . . rr_1x2y 1 . 1 . 584 . 2 1 7 DG H2' H -6.033 -3.246 4.785 . . . 1.0 . . . . . . . . . . . . B . 19 DG H2' . . . . . . . . . rr_1x2y 1 . 1 . 585 . 2 1 7 DG H2'' H -5.724 -2.623 6.419 . . . 1.0 . . . . . . . . . . . . B . 19 DG H2'' . . . . . . . . . rr_1x2y 1 . 1 . 586 . 2 1 7 DG H21 H 0.623 0.551 6.438 . . . 1.0 . . . . . . . . . . . . B . 19 DG H21 . . . . . . . . . rr_1x2y 1 . 1 . 587 . 2 1 7 DG H22 H -0.209 -0.573 7.489 . . . 1.0 . . . . . . . . . . . . B . 19 DG H22 . . . . . . . . . rr_1x2y 1 . 1 . 588 . 2 1 7 DG H3' H -6.858 -5.098 6.047 . . . 1.0 . . . . . . . . . . . . B . 19 DG H3' . . . . . . . . . rr_1x2y 1 . 1 . 589 . 2 1 7 DG H4' H -4.457 -6.370 6.508 . . . 1.0 . . . . . . . . . . . . B . 19 DG H4' . . . . . . . . . rr_1x2y 1 . 1 . 590 . 2 1 7 DG H5' H -4.485 -6.793 3.876 . . . 1.0 . . . . . . . . . . . . B . 19 DG H5' . . . . . . . . . rr_1x2y 1 . 1 . 591 . 2 1 7 DG H5'' H -5.592 -7.581 5.016 . . . 1.0 . . . . . . . . . . . . B . 19 DG H5'' . . . . . . . . . rr_1x2y 1 . 1 . 592 . 2 1 7 DG H8 H -4.647 -3.228 2.740 . . . 1.0 . . . . . . . . . . . . B . 19 DG H8 . . . . . . . . . rr_1x2y 1 . 1 . 593 . 2 1 7 DG N1 N -0.614 0.068 4.346 . . . 1.0 . . . . . . . . . . . . B . 19 DG N1 . . . . . . . . . rr_1x2y 1 . 1 . 594 . 2 1 7 DG N2 N -0.083 -0.158 6.577 . . . 1.0 . . . . . . . . . . . . B . 19 DG N2 . . . . . . . . . rr_1x2y 1 . 1 . 595 . 2 1 7 DG N3 N -1.772 -1.480 5.735 . . . 1.0 . . . . . . . . . . . . B . 19 DG N3 . . . . . . . . . rr_1x2y 1 . 1 . 596 . 2 1 7 DG N7 N -3.197 -1.736 2.448 . . . 1.0 . . . . . . . . . . . . B . 19 DG N7 . . . . . . . . . rr_1x2y 1 . 1 . 597 . 2 1 7 DG N9 N -3.468 -2.665 4.465 . . . 1.0 . . . . . . . . . . . . B . 19 DG N9 . . . . . . . . . rr_1x2y 1 . 1 . 598 . 2 1 7 DG O3' O -5.756 -4.785 7.724 . . . 1.0 . . . . . . . . . . . . B . 19 DG O3' . . . . . . . . . rr_1x2y 1 . 1 . 599 . 2 1 7 DG O4' O -3.751 -4.871 5.158 . . . 1.0 . . . . . . . . . . . . B . 19 DG O4' . . . . . . . . . rr_1x2y 1 . 1 . 600 . 2 1 7 DG O5' O -6.403 -6.027 3.923 . . . 1.0 . . . . . . . . . . . . B . 19 DG O5' . . . . . . . . . rr_1x2y 1 . 1 . 601 . 2 1 7 DG O6 O -1.011 0.419 2.132 . . . 1.0 . . . . . . . . . . . . B . 19 DG O6 . . . . . . . . . rr_1x2y 1 . 1 . 602 . 2 1 7 DG OP1 O -8.057 -7.886 3.740 . . . 1.0 . . . . . . . . . . . . B . 19 DG OP1 . . . . . . . . . rr_1x2y 1 . 1 . 603 . 2 1 7 DG OP2 O -8.075 -5.931 2.077 . . . 1.0 . . . . . . . . . . . . B . 19 DG OP2 . . . . . . . . . rr_1x2y 1 . 1 . 604 . 2 1 7 DG P P -7.319 -6.879 2.935 . . . 1.0 . . . . . . . . . . . . B . 19 DG P . . . . . . . . . rr_1x2y 1 . 1 . 605 . 2 1 8 DC C1' C -3.526 0.521 7.818 . . . 1.0 . . . . . . . . . . . . B . 20 DC C1' . . . . . . . . . rr_1x2y 1 . 1 . 606 . 2 1 8 DC C2 C -3.116 1.840 5.767 . . . 1.0 . . . . . . . . . . . . B . 20 DC C2 . . . . . . . . . rr_1x2y 1 . 1 . 607 . 2 1 8 DC C2' C -4.590 0.846 8.842 . . . 1.0 . . . . . . . . . . . . B . 20 DC C2' . . . . . . . . . rr_1x2y 1 . 1 . 608 . 2 1 8 DC C3' C -4.292 -0.137 9.964 . . . 1.0 . . . . . . . . . . . . B . 20 DC C3' . . . . . . . . . rr_1x2y 1 . 1 . 609 . 2 1 8 DC C4 C -4.391 1.500 3.851 . . . 1.0 . . . . . . . . . . . . B . 20 DC C4 . . . . . . . . . rr_1x2y 1 . 1 . 610 . 2 1 8 DC C4' C -3.548 -1.289 9.286 . . . 1.0 . . . . . . . . . . . . B . 20 DC C4' . . . . . . . . . rr_1x2y 1 . 1 . 611 . 2 1 8 DC C5 C -5.173 0.498 4.496 . . . 1.0 . . . . . . . . . . . . B . 20 DC C5 . . . . . . . . . rr_1x2y 1 . 1 . 612 . 2 1 8 DC C5' C -4.278 -2.612 9.267 . . . 1.0 . . . . . . . . . . . . B . 20 DC C5' . . . . . . . . . rr_1x2y 1 . 1 . 613 . 2 1 8 DC C6 C -4.879 0.213 5.771 . . . 1.0 . . . . . . . . . . . . B . 20 DC C6 . . . . . . . . . rr_1x2y 1 . 1 . 614 . 2 1 8 DC H1' H -2.579 1.000 8.069 . . . 1.0 . . . . . . . . . . . . B . 20 DC H1' . . . . . . . . . rr_1x2y 1 . 1 . 615 . 2 1 8 DC H2' H -5.597 0.711 8.449 . . . 1.0 . . . . . . . . . . . . B . 20 DC H2' . . . . . . . . . rr_1x2y 1 . 1 . 616 . 2 1 8 DC H2'' H -4.468 1.877 9.172 . . . 1.0 . . . . . . . . . . . . B . 20 DC H2'' . . . . . . . . . rr_1x2y 1 . 1 . 617 . 2 1 8 DC H3' H -5.200 -0.483 10.463 . . . 1.0 . . . . . . . . . . . . B . 20 DC H3' . . . . . . . . . rr_1x2y 1 . 1 . 618 . 2 1 8 DC H4' H -2.626 -1.435 9.849 . . . 1.0 . . . . . . . . . . . . B . 20 DC H4' . . . . . . . . . rr_1x2y 1 . 1 . 619 . 2 1 8 DC H41 H -4.079 2.531 2.122 . . . 1.0 . . . . . . . . . . . . B . 20 DC H41 . . . . . . . . . rr_1x2y 1 . 1 . 620 . 2 1 8 DC H42 H -5.373 1.355 2.072 . . . 1.0 . . . . . . . . . . . . B . 20 DC H42 . . . . . . . . . rr_1x2y 1 . 1 . 621 . 2 1 8 DC H5 H -5.978 -0.018 3.972 . . . 1.0 . . . . . . . . . . . . B . 20 DC H5 . . . . . . . . . rr_1x2y 1 . 1 . 622 . 2 1 8 DC H5' H -3.695 -3.335 8.696 . . . 1.0 . . . . . . . . . . . . B . 20 DC H5' . . . . . . . . . rr_1x2y 1 . 1 . 623 . 2 1 8 DC H5'' H -4.382 -2.971 10.290 . . . 1.0 . . . . . . . . . . . . B . 20 DC H5'' . . . . . . . . . rr_1x2y 1 . 1 . 624 . 2 1 8 DC H6 H -5.466 -0.539 6.297 . . . 1.0 . . . . . . . . . . . . B . 20 DC H6 . . . . . . . . . rr_1x2y 1 . 1 . 625 . 2 1 8 DC N1 N -3.862 0.855 6.423 . . . 1.0 . . . . . . . . . . . . B . 20 DC N1 . . . . . . . . . rr_1x2y 1 . 1 . 626 . 2 1 8 DC N3 N -3.404 2.140 4.480 . . . 1.0 . . . . . . . . . . . . B . 20 DC N3 . . . . . . . . . rr_1x2y 1 . 1 . 627 . 2 1 8 DC N4 N -4.634 1.821 2.579 . . . 1.0 . . . . . . . . . . . . B . 20 DC N4 . . . . . . . . . rr_1x2y 1 . 1 . 628 . 2 1 8 DC O2 O -2.208 2.417 6.385 . . . 1.0 . . . . . . . . . . . . B . 20 DC O2 . . . . . . . . . rr_1x2y 1 . 1 . 629 . 2 1 8 DC O3' O -3.473 0.456 10.969 . . . 1.0 . . . . . . . . . . . . B . 20 DC O3' . . . . . . . . . rr_1x2y 1 . 1 . 630 . 2 1 8 DC O4' O -3.325 -0.868 7.913 . . . 1.0 . . . . . . . . . . . . B . 20 DC O4' . . . . . . . . . rr_1x2y 1 . 1 . 631 . 2 1 8 DC O5' O -5.566 -2.458 8.676 . . . 1.0 . . . . . . . . . . . . B . 20 DC O5' . . . . . . . . . rr_1x2y 1 . 1 . 632 . 2 1 8 DC OP1 O -6.776 -4.233 9.946 . . . 1.0 . . . . . . . . . . . . B . 20 DC OP1 . . . . . . . . . rr_1x2y 1 . 1 . 633 . 2 1 8 DC OP2 O -7.745 -3.268 7.774 . . . 1.0 . . . . . . . . . . . . B . 20 DC OP2 . . . . . . . . . rr_1x2y 1 . 1 . 634 . 2 1 8 DC P P -6.571 -3.691 8.579 . . . 1.0 . . . . . . . . . . . . B . 20 DC P . . . . . . . . . rr_1x2y 1 . 1 . 635 . 2 1 9 DA C1' C -2.663 5.847 8.888 . . . 1.0 . . . . . . . . . . . . B . 21 DA C1' . . . . . . . . . rr_1x2y 1 . 1 . 636 . 2 1 9 DA C2 C -2.461 7.531 4.852 . . . 1.0 . . . . . . . . . . . . B . 21 DA C2 . . . . . . . . . rr_1x2y 1 . 1 . 637 . 2 1 9 DA C2' C -3.529 5.919 10.125 . . . 1.0 . . . . . . . . . . . . B . 21 DA C2' . . . . . . . . . rr_1x2y 1 . 1 . 638 . 2 1 9 DA C3' C -2.522 5.583 11.207 . . . 1.0 . . . . . . . . . . . . B . 21 DA C3' . . . . . . . . . rr_1x2y 1 . 1 . 639 . 2 1 9 DA C4 C -3.226 6.211 6.437 . . . 1.0 . . . . . . . . . . . . B . 21 DA C4 . . . . . . . . . rr_1x2y 1 . 1 . 640 . 2 1 9 DA C4' C -1.625 4.545 10.539 . . . 1.0 . . . . . . . . . . . . B . 21 DA C4' . . . . . . . . . rr_1x2y 1 . 1 . 641 . 2 1 9 DA C5 C -4.148 5.630 5.586 . . . 1.0 . . . . . . . . . . . . B . 21 DA C5 . . . . . . . . . rr_1x2y 1 . 1 . 642 . 2 1 9 DA C5' C -1.984 3.105 10.824 . . . 1.0 . . . . . . . . . . . . B . 21 DA C5' . . . . . . . . . rr_1x2y 1 . 1 . 643 . 2 1 9 DA C6 C -4.169 6.089 4.259 . . . 1.0 . . . . . . . . . . . . B . 21 DA C6 . . . . . . . . . rr_1x2y 1 . 1 . 644 . 2 1 9 DA C8 C -4.418 4.696 7.475 . . . 1.0 . . . . . . . . . . . . B . 21 DA C8 . . . . . . . . . rr_1x2y 1 . 1 . 645 . 2 1 9 DA H1' H -2.068 6.753 8.761 . . . 1.0 . . . . . . . . . . . . B . 21 DA H1' . . . . . . . . . rr_1x2y 1 . 1 . 646 . 2 1 9 DA H2 H -1.783 8.317 4.520 . . . 1.0 . . . . . . . . . . . . B . 21 DA H2 . . . . . . . . . rr_1x2y 1 . 1 . 647 . 2 1 9 DA H2' H -4.341 5.192 10.102 . . . 1.0 . . . . . . . . . . . . B . 21 DA H2' . . . . . . . . . rr_1x2y 1 . 1 . 648 . 2 1 9 DA H2'' H -3.949 6.912 10.259 . . . 1.0 . . . . . . . . . . . . B . 21 DA H2'' . . . . . . . . . rr_1x2y 1 . 1 . 649 . 2 1 9 DA H3' H -2.996 5.187 12.108 . . . 1.0 . . . . . . . . . . . . B . 21 DA H3' . . . . . . . . . rr_1x2y 1 . 1 . 650 . 2 1 9 DA H4' H -0.615 4.713 10.915 . . . 1.0 . . . . . . . . . . . . B . 21 DA H4' . . . . . . . . . rr_1x2y 1 . 1 . 651 . 2 1 9 DA H5' H -1.664 2.483 9.987 . . . 1.0 . . . . . . . . . . . . B . 21 DA H5' . . . . . . . . . rr_1x2y 1 . 1 . 652 . 2 1 9 DA H5'' H -1.463 2.782 11.725 . . . 1.0 . . . . . . . . . . . . B . 21 DA H5'' . . . . . . . . . rr_1x2y 1 . 1 . 653 . 2 1 9 DA H61 H -4.966 5.988 2.387 . . . 1.0 . . . . . . . . . . . . B . 21 DA H61 . . . . . . . . . rr_1x2y 1 . 1 . 654 . 2 1 9 DA H62 H -5.659 4.889 3.558 . . . 1.0 . . . . . . . . . . . . B . 21 DA H62 . . . . . . . . . rr_1x2y 1 . 1 . 655 . 2 1 9 DA H8 H -4.804 4.084 8.275 . . . 1.0 . . . . . . . . . . . . B . 21 DA H8 . . . . . . . . . rr_1x2y 1 . 1 . 656 . 2 1 9 DA N1 N -3.296 7.061 3.917 . . . 1.0 . . . . . . . . . . . . B . 21 DA N1 . . . . . . . . . rr_1x2y 1 . 1 . 657 . 2 1 9 DA N3 N -2.344 7.178 6.130 . . . 1.0 . . . . . . . . . . . . B . 21 DA N3 . . . . . . . . . rr_1x2y 1 . 1 . 658 . 2 1 9 DA N6 N -4.999 5.617 3.326 . . . 1.0 . . . . . . . . . . . . B . 21 DA N6 . . . . . . . . . rr_1x2y 1 . 1 . 659 . 2 1 9 DA N7 N -4.894 4.669 6.254 . . . 1.0 . . . . . . . . . . . . B . 21 DA N7 . . . . . . . . . rr_1x2y 1 . 1 . 660 . 2 1 9 DA N9 N -3.402 5.597 7.653 . . . 1.0 . . . . . . . . . . . . B . 21 DA N9 . . . . . . . . . rr_1x2y 1 . 1 . 661 . 2 1 9 DA O3' O -1.763 6.724 11.604 . . . 1.0 . . . . . . . . . . . . B . 21 DA O3' . . . . . . . . . rr_1x2y 1 . 1 . 662 . 2 1 9 DA O4' O -1.761 4.782 9.107 . . . 1.0 . . . . . . . . . . . . B . 21 DA O4' . . . . . . . . . rr_1x2y 1 . 1 . 663 . 2 1 9 DA O5' O -3.393 2.976 11.007 . . . 1.0 . . . . . . . . . . . . B . 21 DA O5' . . . . . . . . . rr_1x2y 1 . 1 . 664 . 2 1 9 DA OP1 O -3.387 1.682 13.138 . . . 1.0 . . . . . . . . . . . . B . 21 DA OP1 . . . . . . . . . rr_1x2y 1 . 1 . 665 . 2 1 9 DA OP2 O -5.488 1.791 11.667 . . . 1.0 . . . . . . . . . . . . B . 21 DA OP2 . . . . . . . . . rr_1x2y 1 . 1 . 666 . 2 1 9 DA P P -4.009 1.732 11.790 . . . 1.0 . . . . . . . . . . . . B . 21 DA P . . . . . . . . . rr_1x2y 1 . 1 . 667 . 2 1 10 DG C1' C -3.342 10.769 7.590 . . . 1.0 . . . . . . . . . . . . B . 22 DG C1' . . . . . . . . . rr_1x2y 1 . 1 . 668 . 2 1 10 DG C2 C -4.636 10.783 3.451 . . . 1.0 . . . . . . . . . . . . B . 22 DG C2 . . . . . . . . . rr_1x2y 1 . 1 . 669 . 2 1 10 DG C2' C -3.845 11.451 8.838 . . . 1.0 . . . . . . . . . . . . B . 22 DG C2' . . . . . . . . . rr_1x2y 1 . 1 . 670 . 2 1 10 DG C3' C -2.621 11.523 9.738 . . . 1.0 . . . . . . . . . . . . B . 22 DG C3' . . . . . . . . . rr_1x2y 1 . 1 . 671 . 2 1 10 DG C4 C -4.656 10.062 5.545 . . . 1.0 . . . . . . . . . . . . B . 22 DG C4 . . . . . . . . . rr_1x2y 1 . 1 . 672 . 2 1 10 DG C4' C -1.673 10.452 9.198 . . . 1.0 . . . . . . . . . . . . B . 22 DG C4' . . . . . . . . . rr_1x2y 1 . 1 . 673 . 2 1 10 DG C5 C -5.633 9.111 5.334 . . . 1.0 . . . . . . . . . . . . B . 22 DG C5 . . . . . . . . . rr_1x2y 1 . 1 . 674 . 2 1 10 DG C5' C -1.415 9.291 10.129 . . . 1.0 . . . . . . . . . . . . B . 22 DG C5' . . . . . . . . . rr_1x2y 1 . 1 . 675 . 2 1 10 DG C6 C -6.183 8.971 4.034 . . . 1.0 . . . . . . . . . . . . B . 22 DG C6 . . . . . . . . . rr_1x2y 1 . 1 . 676 . 2 1 10 DG C8 C -5.121 8.961 7.393 . . . 1.0 . . . . . . . . . . . . B . 22 DG C8 . . . . . . . . . rr_1x2y 1 . 1 . 677 . 2 1 10 DG H1 H -5.944 9.843 2.183 . . . 1.0 . . . . . . . . . . . . B . 22 DG H1 . . . . . . . . . rr_1x2y 1 . 1 . 678 . 2 1 10 DG H1' H -2.937 11.499 6.897 . . . 1.0 . . . . . . . . . . . . B . 22 DG H1' . . . . . . . . . rr_1x2y 1 . 1 . 679 . 2 1 10 DG H2' H -4.653 10.904 9.305 . . . 1.0 . . . . . . . . . . . . B . 22 DG H2' . . . . . . . . . rr_1x2y 1 . 1 . 680 . 2 1 10 DG H2'' H -4.198 12.447 8.566 . . . 1.0 . . . . . . . . . . . . B . 22 DG H2'' . . . . . . . . . rr_1x2y 1 . 1 . 681 . 2 1 10 DG H21 H -4.608 11.460 1.524 . . . 1.0 . . . . . . . . . . . . B . 22 DG H21 . . . . . . . . . rr_1x2y 1 . 1 . 682 . 2 1 10 DG H22 H -3.495 12.256 2.614 . . . 1.0 . . . . . . . . . . . . B . 22 DG H22 . . . . . . . . . rr_1x2y 1 . 1 . 683 . 2 1 10 DG H3' H -2.870 11.345 10.786 . . . 1.0 . . . . . . . . . . . . B . 22 DG H3' . . . . . . . . . rr_1x2y 1 . 1 . 684 . 2 1 10 DG H4' H -0.716 10.947 9.024 . . . 1.0 . . . . . . . . . . . . B . 22 DG H4' . . . . . . . . . rr_1x2y 1 . 1 . 685 . 2 1 10 DG H5' H -1.131 8.417 9.542 . . . 1.0 . . . . . . . . . . . . B . 22 DG H5' . . . . . . . . . rr_1x2y 1 . 1 . 686 . 2 1 10 DG H5'' H -0.595 9.550 10.797 . . . 1.0 . . . . . . . . . . . . B . 22 DG H5'' . . . . . . . . . rr_1x2y 1 . 1 . 687 . 2 1 10 DG H8 H -5.096 8.655 8.428 . . . 1.0 . . . . . . . . . . . . B . 22 DG H8 . . . . . . . . . rr_1x2y 1 . 1 . 688 . 2 1 10 DG N1 N -5.612 9.869 3.138 . . . 1.0 . . . . . . . . . . . . B . 22 DG N1 . . . . . . . . . rr_1x2y 1 . 1 . 689 . 2 1 10 DG N2 N -4.211 11.563 2.447 . . . 1.0 . . . . . . . . . . . . B . 22 DG N2 . . . . . . . . . rr_1x2y 1 . 1 . 690 . 2 1 10 DG N3 N -4.115 10.924 4.659 . . . 1.0 . . . . . . . . . . . . B . 22 DG N3 . . . . . . . . . rr_1x2y 1 . 1 . 691 . 2 1 10 DG N7 N -5.914 8.424 6.507 . . . 1.0 . . . . . . . . . . . . B . 22 DG N7 . . . . . . . . . rr_1x2y 1 . 1 . 692 . 2 1 10 DG N9 N -4.331 9.962 6.878 . . . 1.0 . . . . . . . . . . . . B . 22 DG N9 . . . . . . . . . rr_1x2y 1 . 1 . 693 . 2 1 10 DG O3' O -1.995 12.805 9.681 . . . 1.0 . . . . . . . . . . . . B . 22 DG O3' . . . . . . . . . rr_1x2y 1 . 1 . 694 . 2 1 10 DG O4' O -2.282 9.931 7.985 . . . 1.0 . . . . . . . . . . . . B . 22 DG O4' . . . . . . . . . rr_1x2y 1 . 1 . 695 . 2 1 10 DG O5' O -2.584 8.999 10.892 . . . 1.0 . . . . . . . . . . . . B . 22 DG O5' . . . . . . . . . rr_1x2y 1 . 1 . 696 . 2 1 10 DG O6 O -7.058 8.188 3.649 . . . 1.0 . . . . . . . . . . . . B . 22 DG O6 . . . . . . . . . rr_1x2y 1 . 1 . 697 . 2 1 10 DG OP1 O -1.635 8.671 13.174 . . . 1.0 . . . . . . . . . . . . B . 22 DG OP1 . . . . . . . . . rr_1x2y 1 . 1 . 698 . 2 1 10 DG OP2 O -3.900 7.651 12.527 . . . 1.0 . . . . . . . . . . . . B . 22 DG OP2 . . . . . . . . . rr_1x2y 1 . 1 . 699 . 2 1 10 DG P P -2.513 8.036 12.159 . . . 1.0 . . . . . . . . . . . . B . 22 DG P . . . . . . . . . rr_1x2y 1 . 1 . 700 . 2 1 11 DT C1' C -5.392 13.993 5.238 . . . 1.0 . . . . . . . . . . . . B . 23 DT C1' . . . . . . . . . rr_1x2y 1 . 1 . 701 . 2 1 11 DT C2 C -7.156 12.493 4.449 . . . 1.0 . . . . . . . . . . . . B . 23 DT C2 . . . . . . . . . rr_1x2y 1 . 1 . 702 . 2 1 11 DT C2' C -5.689 15.322 5.898 . . . 1.0 . . . . . . . . . . . . B . 23 DT C2' . . . . . . . . . rr_1x2y 1 . 1 . 703 . 2 1 11 DT C3' C -4.313 15.960 5.999 . . . 1.0 . . . . . . . . . . . . B . 23 DT C3' . . . . . . . . . rr_1x2y 1 . 1 . 704 . 2 1 11 DT C4 C -8.246 10.924 6.004 . . . 1.0 . . . . . . . . . . . . B . 23 DT C4 . . . . . . . . . rr_1x2y 1 . 1 . 705 . 2 1 11 DT C4' C -3.336 14.782 5.984 . . . 1.0 . . . . . . . . . . . . B . 23 DT C4' . . . . . . . . . rr_1x2y 1 . 1 . 706 . 2 1 11 DT C5 C -7.401 11.429 7.063 . . . 1.0 . . . . . . . . . . . . B . 23 DT C5 . . . . . . . . . rr_1x2y 1 . 1 . 707 . 2 1 11 DT C5' C -2.555 14.572 7.259 . . . 1.0 . . . . . . . . . . . . B . 23 DT C5' . . . . . . . . . rr_1x2y 1 . 1 . 708 . 2 1 11 DT C6 C -6.520 12.395 6.767 . . . 1.0 . . . . . . . . . . . . B . 23 DT C6 . . . . . . . . . rr_1x2y 1 . 1 . 709 . 2 1 11 DT C7 C -7.547 10.858 8.439 . . . 1.0 . . . . . . . . . . . . B . 23 DT C7 . . . . . . . . . rr_1x2y 1 . 1 . 710 . 2 1 11 DT H1' H -5.274 14.097 4.158 . . . 1.0 . . . . . . . . . . . . B . 23 DT H1' . . . . . . . . . rr_1x2y 1 . 1 . 711 . 2 1 11 DT H2' H -6.142 15.202 6.882 . . . 1.0 . . . . . . . . . . . . B . 23 DT H2' . . . . . . . . . rr_1x2y 1 . 1 . 712 . 2 1 11 DT H2'' H -6.355 15.913 5.269 . . . 1.0 . . . . . . . . . . . . B . 23 DT H2'' . . . . . . . . . rr_1x2y 1 . 1 . 713 . 2 1 11 DT H3 H -8.635 11.172 4.015 . . . 1.0 . . . . . . . . . . . . B . 23 DT H3 . . . . . . . . . rr_1x2y 1 . 1 . 714 . 2 1 11 DT H3' H -4.202 16.562 6.904 . . . 1.0 . . . . . . . . . . . . B . 23 DT H3' . . . . . . . . . rr_1x2y 1 . 1 . 715 . 2 1 11 DT H4' H -2.617 14.983 5.190 . . . 1.0 . . . . . . . . . . . . B . 23 DT H4' . . . . . . . . . rr_1x2y 1 . 1 . 716 . 2 1 11 DT H5' H -1.913 13.696 7.146 . . . 1.0 . . . . . . . . . . . . B . 23 DT H5' . . . . . . . . . rr_1x2y 1 . 1 . 717 . 2 1 11 DT H5'' H -1.931 15.446 7.439 . . . 1.0 . . . . . . . . . . . . B . 23 DT H5'' . . . . . . . . . rr_1x2y 1 . 1 . 718 . 2 1 11 DT H6 H -5.886 12.782 7.566 . . . 1.0 . . . . . . . . . . . . B . 23 DT H6 . . . . . . . . . rr_1x2y 1 . 1 . 719 . 2 1 11 DT H71 H -6.760 11.250 9.082 . . . 1.0 . . . . . . . . . . . . B . 23 DT H71 . . . . . . . . . rr_1x2y 1 . 1 . 720 . 2 1 11 DT H72 H -7.471 9.772 8.392 . . . 1.0 . . . . . . . . . . . . B . 23 DT H72 . . . . . . . . . rr_1x2y 1 . 1 . 721 . 2 1 11 DT H73 H -8.519 11.136 8.846 . . . 1.0 . . . . . . . . . . . . B . 23 DT H73 . . . . . . . . . rr_1x2y 1 . 1 . 722 . 2 1 11 DT N1 N -6.381 12.929 5.502 . . . 1.0 . . . . . . . . . . . . B . 23 DT N1 . . . . . . . . . rr_1x2y 1 . 1 . 723 . 2 1 11 DT N3 N -8.051 11.506 4.768 . . . 1.0 . . . . . . . . . . . . B . 23 DT N3 . . . . . . . . . rr_1x2y 1 . 1 . 724 . 2 1 11 DT O2 O -7.061 12.943 3.318 . . . 1.0 . . . . . . . . . . . . B . 23 DT O2 . . . . . . . . . rr_1x2y 1 . 1 . 725 . 2 1 11 DT O3' O -4.075 16.833 4.896 . . . 1.0 . . . . . . . . . . . . B . 23 DT O3' . . . . . . . . . rr_1x2y 1 . 1 . 726 . 2 1 11 DT O4 O -9.090 10.043 6.137 . . . 1.0 . . . . . . . . . . . . B . 23 DT O4 . . . . . . . . . rr_1x2y 1 . 1 . 727 . 2 1 11 DT O4' O -4.144 13.597 5.746 . . . 1.0 . . . . . . . . . . . . B . 23 DT O4' . . . . . . . . . rr_1x2y 1 . 1 . 728 . 2 1 11 DT O5' O -3.443 14.378 8.355 . . . 1.0 . . . . . . . . . . . . B . 23 DT O5' . . . . . . . . . rr_1x2y 1 . 1 . 729 . 2 1 11 DT OP1 O -1.974 15.266 10.167 . . . 1.0 . . . . . . . . . . . . B . 23 DT OP1 . . . . . . . . . rr_1x2y 1 . 1 . 730 . 2 1 11 DT OP2 O -4.029 13.830 10.717 . . . 1.0 . . . . . . . . . . . . B . 23 DT OP2 . . . . . . . . . rr_1x2y 1 . 1 . 731 . 2 1 11 DT P P -2.881 14.140 9.827 . . . 1.0 . . . . . . . . . . . . B . 23 DT P . . . . . . . . . rr_1x2y 1 . 1 . 732 . 2 1 12 DC C1' C -9.350 15.916 1.896 . . . 1.0 . . . . . . . . . . . . B . 24 DC C1' . . . . . . . . . rr_1x2y 1 . 1 . 733 . 2 1 12 DC C2 C -11.090 14.172 2.069 . . . 1.0 . . . . . . . . . . . . B . 24 DC C2 . . . . . . . . . rr_1x2y 1 . 1 . 734 . 2 1 12 DC C2' C -9.482 17.380 2.250 . . . 1.0 . . . . . . . . . . . . B . 24 DC C2' . . . . . . . . . rr_1x2y 1 . 1 . 735 . 2 1 12 DC C3' C -8.120 17.976 1.923 . . . 1.0 . . . . . . . . . . . . B . 24 DC C3' . . . . . . . . . rr_1x2y 1 . 1 . 736 . 2 1 12 DC C4 C -11.614 13.187 4.111 . . . 1.0 . . . . . . . . . . . . B . 24 DC C4 . . . . . . . . . rr_1x2y 1 . 1 . 737 . 2 1 12 DC C4' C -7.183 16.776 1.775 . . . 1.0 . . . . . . . . . . . . B . 24 DC C4' . . . . . . . . . rr_1x2y 1 . 1 . 738 . 2 1 12 DC C5 C -10.653 13.987 4.793 . . . 1.0 . . . . . . . . . . . . B . 24 DC C5 . . . . . . . . . rr_1x2y 1 . 1 . 739 . 2 1 12 DC C5' C -6.005 16.739 2.724 . . . 1.0 . . . . . . . . . . . . B . 24 DC C5' . . . . . . . . . rr_1x2y 1 . 1 . 740 . 2 1 12 DC C6 C -9.943 14.857 4.063 . . . 1.0 . . . . . . . . . . . . B . 24 DC C6 . . . . . . . . . rr_1x2y 1 . 1 . 741 . 2 1 12 DC H1' H -9.611 15.757 0.850 . . . 1.0 . . . . . . . . . . . . B . 24 DC H1' . . . . . . . . . rr_1x2y 1 . 1 . 742 . 2 1 12 DC H2' H -9.757 17.535 3.290 . . . 1.0 . . . . . . . . . . . . B . 24 DC H2' . . . . . . . . . rr_1x2y 1 . 1 . 743 . 2 1 12 DC H2'' H -10.260 17.781 1.600 . . . 1.0 . . . . . . . . . . . . B . 24 DC H2'' . . . . . . . . . rr_1x2y 1 . 1 . 744 . 2 1 12 DC H3' H -7.774 18.670 2.691 . . . 1.0 . . . . . . . . . . . . B . 24 DC H3' . . . . . . . . . rr_1x2y 1 . 1 . 745 . 2 1 12 DC H4' H -6.783 16.817 0.761 . . . 1.0 . . . . . . . . . . . . B . 24 DC H4' . . . . . . . . . rr_1x2y 1 . 1 . 746 . 2 1 12 DC H41 H -13.029 11.735 4.302 . . . 1.0 . . . . . . . . . . . . B . 24 DC H41 . . . . . . . . . rr_1x2y 1 . 1 . 747 . 2 1 12 DC H42 H -12.223 12.197 5.784 . . . 1.0 . . . . . . . . . . . . B . 24 DC H42 . . . . . . . . . rr_1x2y 1 . 1 . 748 . 2 1 12 DC H5 H -10.503 13.898 5.869 . . . 1.0 . . . . . . . . . . . . B . 24 DC H5 . . . . . . . . . rr_1x2y 1 . 1 . 749 . 2 1 12 DC H5' H -5.881 15.723 3.100 . . . 1.0 . . . . . . . . . . . . B . 24 DC H5' . . . . . . . . . rr_1x2y 1 . 1 . 750 . 2 1 12 DC H5'' H -5.106 17.025 2.179 . . . 1.0 . . . . . . . . . . . . B . 24 DC H5'' . . . . . . . . . rr_1x2y 1 . 1 . 751 . 2 1 12 DC H6 H -9.205 15.485 4.559 . . . 1.0 . . . . . . . . . . . . B . 24 DC H6 . . . . . . . . . rr_1x2y 1 . 1 . 752 . 2 1 12 DC HO3' H -7.519 19.382 0.718 . . . 1.0 . . . . . . . . . . . . B . 24 DC HO3' . . . . . . . . . rr_1x2y 1 . 1 . 753 . 2 1 12 DC N1 N -10.136 14.969 2.711 . . . 1.0 . . . . . . . . . . . . B . 24 DC N1 . . . . . . . . . rr_1x2y 1 . 1 . 754 . 2 1 12 DC N3 N -11.813 13.290 2.795 . . . 1.0 . . . . . . . . . . . . B . 24 DC N3 . . . . . . . . . rr_1x2y 1 . 1 . 755 . 2 1 12 DC N4 N -12.348 12.301 4.787 . . . 1.0 . . . . . . . . . . . . B . 24 DC N4 . . . . . . . . . rr_1x2y 1 . 1 . 756 . 2 1 12 DC O2 O -11.248 14.295 0.845 . . . 1.0 . . . . . . . . . . . . B . 24 DC O2 . . . . . . . . . rr_1x2y 1 . 1 . 757 . 2 1 12 DC O3' O -8.217 18.724 0.705 . . . 1.0 . . . . . . . . . . . . B . 24 DC O3' . . . . . . . . . rr_1x2y 1 . 1 . 758 . 2 1 12 DC O4' O -7.987 15.594 2.031 . . . 1.0 . . . . . . . . . . . . B . 24 DC O4' . . . . . . . . . rr_1x2y 1 . 1 . 759 . 2 1 12 DC O5' O -6.214 17.633 3.814 . . . 1.0 . . . . . . . . . . . . B . 24 DC O5' . . . . . . . . . rr_1x2y 1 . 1 . 760 . 2 1 12 DC OP1 O -4.220 19.129 3.900 . . . 1.0 . . . . . . . . . . . . B . 24 DC OP1 . . . . . . . . . rr_1x2y 1 . 1 . 761 . 2 1 12 DC OP2 O -5.518 18.533 6.032 . . . 1.0 . . . . . . . . . . . . B . 24 DC OP2 . . . . . . . . . rr_1x2y 1 . 1 . 762 . 2 1 12 DC P P -4.991 18.143 4.699 . . . 1.0 . . . . . . . . . . . . B . 24 DC P . . . . . . . . . rr_1x2y 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_1x2y _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 1x2y.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 rr_1x2y 1 1 1x2y.mr . . XPLOR/CNS 2 distance NOE simple 144 rr_1x2y 1 1 1x2y.mr . . XPLOR/CNS 3 'dipolar coupling' 'Not applicable' 'Not applicable' 52 rr_1x2y 1 1 1x2y.mr . . 'MR format' 4 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 rr_1x2y 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_1x2y _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_1x2y 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 2 2 DA H1' H . . . 1 1 3 3 DC H6 H . . . . . 3.50 3.28 3.72 . . . . . A . 2 DA H1' . . A . 3 DC H6 . . . 2 . H1' . . . . . 3 . H6 . . rr_1x2y 1 2 1 . . 1 1 3 3 DC H1' H . . . 1 1 4 4 DT H6 H . . . . . 3.60 3.38 3.82 . . . . . A . 3 DC H1' . . A . 4 DT H6 . . . 3 . H1' . . . . . 4 . H6 . . rr_1x2y 1 3 1 . . 1 1 6 6 DT H1' H . . . 1 1 7 7 DG H8 H . . . . . 3.71 3.49 3.93 . . . . . A . 6 DT H1' . . A . 7 DG H8 . . . 6 . H1' . . . . . 7 . H8 . . rr_1x2y 1 4 1 . . 1 1 8 8 DC H1' H . . . 1 1 9 9 DA H8 H . . . . . 4.07 3.84 4.30 . . . . . A . 8 DC H1' . . A . 9 DA H8 . . . 8 . H1' . . . . . 9 . H8 . . rr_1x2y 1 5 1 . . 1 1 1 1 DG H1' H . . . 1 1 2 2 DA H8 H . . . . . 4.15 3.93 4.37 . . . . . A . 1 DG H1' . . A . 2 DA H8 . . . 1 . H1' . . . . . 2 . H8 . . rr_1x2y 1 6 1 . . 1 1 5 5 DG H1' H . . . 1 1 6 6 DT H6 H . . . . . 4.01 3.79 4.23 . . . . . A . 5 DG H1' . . A . 6 DT H6 . . . 5 . H1' . . . . . 6 . H6 . . rr_1x2y 1 7 1 . . 1 1 9 9 DA H1' H . . . 1 1 10 10 DG H8 H . . . . . 3.89 3.67 4.11 . . . . . A . 9 DA H1' . . A . 10 DG H8 . . . 9 . H1' . . . . . 10 . H8 . . rr_1x2y 1 8 1 . . 1 1 11 11 DT H1' H . . . 1 1 12 12 DC H6 H . . . . . 4.55 4.31 4.79 . . . . . A . 11 DT H1' . . A . 12 DC H6 . . . 11 . H1' . . . . . 12 . H6 . . rr_1x2y 1 9 1 . . 1 1 4 4 DT H1' H . . . 1 1 5 5 DG H8 H . . . . . 3.82 3.60 4.04 . . . . . A . 4 DT H1' . . A . 5 DG H8 . . . 4 . H1' . . . . . 5 . H8 . . rr_1x2y 1 10 1 . . 1 1 7 7 DG H1' H . . . 1 1 8 8 DC H6 H . . . . . 3.73 3.51 3.95 . . . . . A . 7 DG H1' . . A . 8 DC H6 . . . 7 . H1' . . . . . 8 . H6 . . rr_1x2y 1 11 1 . . 2 1 2 2 DA H1' H . . . 2 1 3 3 DC H6 H . . . . . 3.50 3.28 3.72 . . . . . B . 14 DA H1' . . B . 15 DC H6 . . . 14 . H1' . . . . . 15 . H6 . . rr_1x2y 1 12 1 . . 2 1 3 3 DC H1' H . . . 2 1 4 4 DT H6 H . . . . . 3.60 3.38 3.82 . . . . . B . 15 DC H1' . . B . 16 DT H6 . . . 15 . H1' . . . . . 16 . H6 . . rr_1x2y 1 13 1 . . 2 1 6 6 DT H1' H . . . 2 1 7 7 DG H8 H . . . . . 3.71 3.49 3.93 . . . . . B . 18 DT H1' . . B . 19 DG H8 . . . 18 . H1' . . . . . 19 . H8 . . rr_1x2y 1 14 1 . . 2 1 8 8 DC H1' H . . . 2 1 9 9 DA H8 H . . . . . 4.07 3.84 4.30 . . . . . B . 20 DC H1' . . B . 21 DA H8 . . . 20 . H1' . . . . . 21 . H8 . . rr_1x2y 1 15 1 . . 2 1 1 1 DG H1' H . . . 2 1 2 2 DA H8 H . . . . . 4.15 3.93 4.37 . . . . . B . 13 DG H1' . . B . 14 DA H8 . . . 13 . H1' . . . . . 14 . H8 . . rr_1x2y 1 16 1 . . 2 1 5 5 DG H1' H . . . 2 1 6 6 DT H6 H . . . . . 4.01 3.79 4.23 . . . . . B . 17 DG H1' . . B . 18 DT H6 . . . 17 . H1' . . . . . 18 . H6 . . rr_1x2y 1 17 1 . . 2 1 9 9 DA H1' H . . . 2 1 10 10 DG H8 H . . . . . 3.89 3.67 4.11 . . . . . B . 21 DA H1' . . B . 22 DG H8 . . . 21 . H1' . . . . . 22 . H8 . . rr_1x2y 1 18 1 . . 2 1 11 11 DT H1' H . . . 2 1 12 12 DC H6 H . . . . . 4.55 4.31 4.79 . . . . . B . 23 DT H1' . . B . 24 DC H6 . . . 23 . H1' . . . . . 24 . H6 . . rr_1x2y 1 19 1 . . 2 1 4 4 DT H1' H . . . 2 1 5 5 DG H8 H . . . . . 3.82 3.60 4.04 . . . . . B . 16 DT H1' . . B . 17 DG H8 . . . 16 . H1' . . . . . 17 . H8 . . rr_1x2y 1 20 1 . . 2 1 7 7 DG H1' H . . . 2 1 8 8 DC H6 H . . . . . 3.73 3.51 3.95 . . . . . B . 19 DG H1' . . B . 20 DC H6 . . . 19 . H1' . . . . . 20 . H6 . . rr_1x2y 1 21 1 . . 1 1 9 9 DA H8 H . . . 1 1 8 8 DC H2' H . . . . . 3.57 3.36 3.78 . . . . . A . 9 DA H8 . . A . 8 DC H2' . . . 9 . H8 . . . . . 8 . H2' . . rr_1x2y 1 22 1 . . 1 1 10 10 DG H2' H . . . 1 1 11 11 DT H6 H . . . . . 2.78 2.57 2.99 . . . . . A . 10 DG H2' . . A . 11 DT H6 . . . 10 . H2' . . . . . 11 . H6 . . rr_1x2y 1 23 1 . . 1 1 2 2 DA H8 H . . . 1 1 1 1 DG H2' H . . . . . 4.38 4.16 4.60 . . . . . A . 2 DA H8 . . A . 1 DG H2' . . . 2 . H8 . . . . . 1 . H2' . . rr_1x2y 1 24 1 . . 1 1 7 7 DG H8 H . . . 1 1 6 6 DT H2' H . . . . . 3.79 3.58 4.00 . . . . . A . 7 DG H8 . . A . 6 DT H2' . . . 7 . H8 . . . . . 6 . H2' . . rr_1x2y 1 25 1 . . 1 1 10 10 DG H8 H . . . 1 1 9 9 DA H2' H . . . . . 3.92 3.71 4.13 . . . . . A . 10 DG H8 . . A . 9 DA H2' . . . 10 . H8 . . . . . 9 . H2' . . rr_1x2y 1 26 1 . . 1 1 12 12 DC H6 H . . . 1 1 11 11 DT H2' H . . . . . 4.09 3.87 4.31 . . . . . A . 12 DC H6 . . A . 11 DT H2' . . . 12 . H6 . . . . . 11 . H2' . . rr_1x2y 1 27 1 . . 1 1 3 3 DC H6 H . . . 1 1 2 2 DA H2' H . . . . . 3.54 3.32 3.76 . . . . . A . 3 DC H6 . . A . 2 DA H2' . . . 3 . H6 . . . . . 2 . H2' . . rr_1x2y 1 28 1 . . 1 1 5 5 DG H8 H . . . 1 1 4 4 DT H2' H . . . . . 3.47 3.25 3.69 . . . . . A . 5 DG H8 . . A . 4 DT H2' . . . 5 . H8 . . . . . 4 . H2' . . rr_1x2y 1 29 1 . . 1 1 10 10 DG H2' H . . . 1 1 11 11 DT H6 H . . . . . 2.60 2.39 2.81 . . . . . A . 10 DG H2' . . A . 11 DT H6 . . . 10 . H2' . . . . . 11 . H6 . . rr_1x2y 1 30 1 . . 1 1 6 6 DT H6 H . . . 1 1 5 5 DG H2' H . . . . . 3.85 3.64 4.06 . . . . . A . 6 DT H6 . . A . 5 DG H2' . . . 6 . H6 . . . . . 5 . H2' . . rr_1x2y 1 31 1 . . 2 1 9 9 DA H8 H . . . 2 1 8 8 DC H2' H . . . . . 3.57 3.36 3.78 . . . . . B . 21 DA H8 . . B . 20 DC H2' . . . 21 . H8 . . . . . 20 . H2' . . rr_1x2y 1 32 1 . . 2 1 10 10 DG H2' H . . . 2 1 11 11 DT H6 H . . . . . 2.78 2.57 2.99 . . . . . B . 22 DG H2' . . B . 23 DT H6 . . . 22 . H2' . . . . . 23 . H6 . . rr_1x2y 1 33 1 . . 2 1 2 2 DA H8 H . . . 2 1 1 1 DG H2' H . . . . . 4.38 4.16 4.60 . . . . . B . 14 DA H8 . . B . 13 DG H2' . . . 14 . H8 . . . . . 13 . H2' . . rr_1x2y 1 34 1 . . 2 1 7 7 DG H8 H . . . 2 1 6 6 DT H2' H . . . . . 3.79 3.58 4.00 . . . . . B . 19 DG H8 . . B . 18 DT H2' . . . 19 . H8 . . . . . 18 . H2' . . rr_1x2y 1 35 1 . . 2 1 10 10 DG H8 H . . . 2 1 9 9 DA H2' H . . . . . 3.92 3.71 4.13 . . . . . B . 22 DG H8 . . B . 21 DA H2' . . . 22 . H8 . . . . . 21 . H2' . . rr_1x2y 1 36 1 . . 2 1 12 12 DC H6 H . . . 2 1 11 11 DT H2' H . . . . . 4.09 3.87 4.31 . . . . . B . 24 DC H6 . . B . 23 DT H2' . . . 24 . H6 . . . . . 23 . H2' . . rr_1x2y 1 37 1 . . 2 1 3 3 DC H6 H . . . 2 1 2 2 DA H2' H . . . . . 3.54 3.32 3.76 . . . . . B . 15 DC H6 . . B . 14 DA H2' . . . 15 . H6 . . . . . 14 . H2' . . rr_1x2y 1 38 1 . . 2 1 5 5 DG H8 H . . . 2 1 4 4 DT H2' H . . . . . 3.47 3.25 3.69 . . . . . B . 17 DG H8 . . B . 16 DT H2' . . . 17 . H8 . . . . . 16 . H2' . . rr_1x2y 1 39 1 . . 2 1 10 10 DG H2' H . . . 2 1 11 11 DT H6 H . . . . . 2.60 2.39 2.81 . . . . . B . 22 DG H2' . . B . 23 DT H6 . . . 22 . H2' . . . . . 23 . H6 . . rr_1x2y 1 40 1 . . 2 1 6 6 DT H6 H . . . 2 1 5 5 DG H2' H . . . . . 3.85 3.64 4.06 . . . . . B . 18 DT H6 . . B . 17 DG H2' . . . 18 . H6 . . . . . 17 . H2' . . rr_1x2y 1 41 1 . . 1 1 2 2 DA H1' H . . . 1 1 2 2 DA H8 H . . . . . 3.85 3.62 4.08 . . . . . A . 2 DA H1' . . A . 2 DA H8 . . . 2 . H1' . . . . . 2 . H8 . . rr_1x2y 1 42 1 . . 1 1 4 4 DT H6 H . . . 1 1 4 4 DT H1' H . . . . . 3.38 3.16 3.60 . . . . . A . 4 DT H6 . . A . 4 DT H1' . . . 4 . H6 . . . . . 4 . H1' . . rr_1x2y 1 43 1 . . 1 1 11 11 DT H1' H . . . 1 1 11 11 DT H6 H . . . . . 3.85 3.63 4.07 . . . . . A . 11 DT H1' . . A . 11 DT H6 . . . 11 . H1' . . . . . 11 . H6 . . rr_1x2y 1 44 1 . . 1 1 6 6 DT H1' H . . . 1 1 6 6 DT H6 H . . . . . 4.16 3.93 4.39 . . . . . A . 6 DT H1' . . A . 6 DT H6 . . . 6 . H1' . . . . . 6 . H6 . . rr_1x2y 1 45 1 . . 1 1 9 9 DA H8 H . . . 1 1 9 9 DA H1' H . . . . . 3.68 3.46 3.90 . . . . . A . 9 DA H8 . . A . 9 DA H1' . . . 9 . H8 . . . . . 9 . H1' . . rr_1x2y 1 46 1 . . 1 1 10 10 DG H8 H . . . 1 1 10 10 DG H1' H . . . . . 3.38 2.81 3.95 . . . . . A . 10 DG H8 . . A . 10 DG H1' . . . 10 . H8 . . . . . 10 . H1' . . rr_1x2y 1 47 1 . . 1 1 3 3 DC H6 H . . . 1 1 3 3 DC H1' H . . . . . 3.80 3.58 4.02 . . . . . A . 3 DC H6 . . A . 3 DC H1' . . . 3 . H6 . . . . . 3 . H1' . . rr_1x2y 1 48 1 . . 2 1 2 2 DA H1' H . . . 2 1 2 2 DA H8 H . . . . . 3.85 3.62 4.08 . . . . . B . 14 DA H1' . . B . 14 DA H8 . . . 14 . H1' . . . . . 14 . H8 . . rr_1x2y 1 49 1 . . 2 1 4 4 DT H6 H . . . 2 1 4 4 DT H1' H . . . . . 3.38 3.16 3.60 . . . . . B . 16 DT H6 . . B . 16 DT H1' . . . 16 . H6 . . . . . 16 . H1' . . rr_1x2y 1 50 1 . . 2 1 11 11 DT H1' H . . . 2 1 11 11 DT H6 H . . . . . 3.85 3.63 4.07 . . . . . B . 23 DT H1' . . B . 23 DT H6 . . . 23 . H1' . . . . . 23 . H6 . . rr_1x2y 1 51 1 . . 2 1 6 6 DT H1' H . . . 2 1 6 6 DT H6 H . . . . . 4.16 3.93 4.39 . . . . . B . 18 DT H1' . . B . 18 DT H6 . . . 18 . H1' . . . . . 18 . H6 . . rr_1x2y 1 52 1 . . 2 1 9 9 DA H8 H . . . 2 1 9 9 DA H1' H . . . . . 3.68 3.46 3.90 . . . . . B . 21 DA H8 . . B . 21 DA H1' . . . 21 . H8 . . . . . 21 . H1' . . rr_1x2y 1 53 1 . . 2 1 10 10 DG H8 H . . . 2 1 10 10 DG H1' H . . . . . 3.38 2.81 3.95 . . . . . B . 22 DG H8 . . B . 22 DG H1' . . . 22 . H8 . . . . . 22 . H1' . . rr_1x2y 1 54 1 . . 2 1 3 3 DC H6 H . . . 2 1 3 3 DC H1' H . . . . . 3.80 3.58 4.02 . . . . . B . 15 DC H6 . . B . 15 DC H1' . . . 15 . H6 . . . . . 15 . H1' . . rr_1x2y 1 55 1 . . 1 1 9 9 DA H8 H . . . 1 1 8 8 DC H2'' H . . . . . 2.43 2.22 2.64 . . . . . A . 9 DA H8 . . A . 8 DC H2'' . . . 9 . H8 . . . . . 8 . H2'' . . rr_1x2y 1 56 1 . . 1 1 8 8 DC H6 H . . . 1 1 7 7 DG H2'' H . . . . . 2.21 2.00 2.42 . . . . . A . 8 DC H6 . . A . 7 DG H2'' . . . 8 . H6 . . . . . 7 . H2'' . . rr_1x2y 1 57 1 . . 1 1 7 7 DG H8 H . . . 1 1 6 6 DT H2'' H . . . . . 2.74 2.53 2.95 . . . . . A . 7 DG H8 . . A . 6 DT H2'' . . . 7 . H8 . . . . . 6 . H2'' . . rr_1x2y 1 58 1 . . 1 1 10 10 DG H8 H . . . 1 1 9 9 DA H2'' H . . . . . 2.56 2.35 2.77 . . . . . A . 10 DG H8 . . A . 9 DA H2'' . . . 10 . H8 . . . . . 9 . H2'' . . rr_1x2y 1 59 1 . . 1 1 3 3 DC H6 H . . . 1 1 2 2 DA H2'' H . . . . . 2.25 2.04 2.46 . . . . . A . 3 DC H6 . . A . 2 DA H2'' . . . 3 . H6 . . . . . 2 . H2'' . . rr_1x2y 1 60 1 . . 1 1 8 8 DC H6 H . . . 1 1 7 7 DG H2'' H . . . . . 2.07 1.86 2.28 . . . . . A . 8 DC H6 . . A . 7 DG H2'' . . . 8 . H6 . . . . . 7 . H2'' . . rr_1x2y 1 61 1 . . 1 1 6 6 DT H6 H . . . 1 1 5 5 DG H2'' H . . . . . 2.44 2.23 2.65 . . . . . A . 6 DT H6 . . A . 5 DG H2'' . . . 6 . H6 . . . . . 5 . H2'' . . rr_1x2y 1 62 1 . . 2 1 9 9 DA H8 H . . . 2 1 8 8 DC H2'' H . . . . . 2.43 2.22 2.64 . . . . . B . 21 DA H8 . . B . 20 DC H2'' . . . 21 . H8 . . . . . 20 . H2'' . . rr_1x2y 1 63 1 . . 2 1 8 8 DC H6 H . . . 2 1 7 7 DG H2'' H . . . . . 2.21 2.00 2.42 . . . . . B . 20 DC H6 . . B . 19 DG H2'' . . . 20 . H6 . . . . . 19 . H2'' . . rr_1x2y 1 64 1 . . 2 1 7 7 DG H8 H . . . 2 1 6 6 DT H2'' H . . . . . 2.74 2.53 2.95 . . . . . B . 19 DG H8 . . B . 18 DT H2'' . . . 19 . H8 . . . . . 18 . H2'' . . rr_1x2y 1 65 1 . . 2 1 10 10 DG H8 H . . . 2 1 9 9 DA H2'' H . . . . . 2.56 2.35 2.77 . . . . . B . 22 DG H8 . . B . 21 DA H2'' . . . 22 . H8 . . . . . 21 . H2'' . . rr_1x2y 1 66 1 . . 2 1 3 3 DC H6 H . . . 2 1 2 2 DA H2'' H . . . . . 2.25 2.04 2.46 . . . . . B . 15 DC H6 . . B . 14 DA H2'' . . . 15 . H6 . . . . . 14 . H2'' . . rr_1x2y 1 67 1 . . 2 1 8 8 DC H6 H . . . 2 1 7 7 DG H2'' H . . . . . 2.07 1.86 2.28 . . . . . B . 20 DC H6 . . B . 19 DG H2'' . . . 20 . H6 . . . . . 19 . H2'' . . rr_1x2y 1 68 1 . . 2 1 6 6 DT H6 H . . . 2 1 5 5 DG H2'' H . . . . . 2.44 2.23 2.65 . . . . . B . 18 DT H6 . . B . 17 DG H2'' . . . 18 . H6 . . . . . 17 . H2'' . . rr_1x2y 1 69 1 . . 1 1 4 4 DT H6 H . . . 1 1 4 4 DT H2' H . . . . . 2.19 1.98 2.40 . . . . . A . 4 DT H6 . . A . 4 DT H2' . . . 4 . H6 . . . . . 4 . H2' . . rr_1x2y 1 70 1 . . 1 1 8 8 DC H6 H . . . 1 1 8 8 DC H2' H . . . . . 2.72 2.51 2.93 . . . . . A . 8 DC H6 . . A . 8 DC H2' . . . 8 . H6 . . . . . 8 . H2' . . rr_1x2y 1 71 1 . . 1 1 9 9 DA H8 H . . . 1 1 9 9 DA H2' H . . . . . 2.36 2.15 2.57 . . . . . A . 9 DA H8 . . A . 9 DA H2' . . . 9 . H8 . . . . . 9 . H2' . . rr_1x2y 1 72 1 . . 1 1 1 1 DG H2' H . . . 1 1 1 1 DG H8 H . . . . . 2.34 2.13 2.55 . . . . . A . 1 DG H2' . . A . 1 DG H8 . . . 1 . H2' . . . . . 1 . H8 . . rr_1x2y 1 73 1 . . 1 1 10 10 DG H8 H . . . 1 1 10 10 DG H2' H . . . . . 2.71 2.50 2.92 . . . . . A . 10 DG H8 . . A . 10 DG H2' . . . 10 . H8 . . . . . 10 . H2' . . rr_1x2y 1 74 1 . . 1 1 3 3 DC H6 H . . . 1 1 3 3 DC H2' H . . . . . 2.51 2.30 2.72 . . . . . A . 3 DC H6 . . A . 3 DC H2' . . . 3 . H6 . . . . . 3 . H2' . . rr_1x2y 1 75 1 . . 2 1 4 4 DT H6 H . . . 2 1 4 4 DT H2' H . . . . . 2.19 1.98 2.40 . . . . . B . 16 DT H6 . . B . 16 DT H2' . . . 16 . H6 . . . . . 16 . H2' . . rr_1x2y 1 76 1 . . 2 1 8 8 DC H6 H . . . 2 1 8 8 DC H2' H . . . . . 2.72 2.51 2.93 . . . . . B . 20 DC H6 . . B . 20 DC H2' . . . 20 . H6 . . . . . 20 . H2' . . rr_1x2y 1 77 1 . . 2 1 9 9 DA H8 H . . . 2 1 9 9 DA H2' H . . . . . 2.36 2.15 2.57 . . . . . B . 21 DA H8 . . B . 21 DA H2' . . . 21 . H8 . . . . . 21 . H2' . . rr_1x2y 1 78 1 . . 2 1 1 1 DG H2' H . . . 2 1 1 1 DG H8 H . . . . . 2.34 2.13 2.55 . . . . . B . 13 DG H2' . . B . 13 DG H8 . . . 13 . H2' . . . . . 13 . H8 . . rr_1x2y 1 79 1 . . 2 1 10 10 DG H8 H . . . 2 1 10 10 DG H2' H . . . . . 2.71 2.50 2.92 . . . . . B . 22 DG H8 . . B . 22 DG H2' . . . 22 . H8 . . . . . 22 . H2' . . rr_1x2y 1 80 1 . . 2 1 3 3 DC H6 H . . . 2 1 3 3 DC H2' H . . . . . 2.51 2.30 2.72 . . . . . B . 15 DC H6 . . B . 15 DC H2' . . . 15 . H6 . . . . . 15 . H2' . . rr_1x2y 1 81 1 . . 1 1 2 2 DA H8 H . . . 1 1 2 2 DA H2'' H . . . . . 3.36 3.15 3.57 . . . . . A . 2 DA H8 . . A . 2 DA H2'' . . . 2 . H8 . . . . . 2 . H2'' . . rr_1x2y 1 82 1 . . 1 1 6 6 DT H6 H . . . 1 1 6 6 DT H2'' H . . . . . 4.07 3.86 4.28 . . . . . A . 6 DT H6 . . A . 6 DT H2'' . . . 6 . H6 . . . . . 6 . H2'' . . rr_1x2y 1 83 1 . . 1 1 9 9 DA H8 H . . . 1 1 9 9 DA H2'' H . . . . . 3.15 2.94 3.36 . . . . . A . 9 DA H8 . . A . 9 DA H2'' . . . 9 . H8 . . . . . 9 . H2'' . . rr_1x2y 1 84 1 . . 1 1 5 5 DG H8 H . . . 1 1 5 5 DG H2'' H . . . . . 3.95 3.74 4.16 . . . . . A . 5 DG H8 . . A . 5 DG H2'' . . . 5 . H8 . . . . . 5 . H2'' . . rr_1x2y 1 85 1 . . 1 1 1 1 DG H8 H . . . 1 1 1 1 DG H2'' H . . . . . 3.67 3.46 3.88 . . . . . A . 1 DG H8 . . A . 1 DG H2'' . . . 1 . H8 . . . . . 1 . H2'' . . rr_1x2y 1 86 1 . . 1 1 10 10 DG H8 H . . . 1 1 10 10 DG H2'' H . . . . . 4.17 3.96 4.38 . . . . . A . 10 DG H8 . . A . 10 DG H2'' . . . 10 . H8 . . . . . 10 . H2'' . . rr_1x2y 1 87 1 . . 1 1 3 3 DC H6 H . . . 1 1 3 3 DC H2'' H . . . . . 3.47 3.26 3.68 . . . . . A . 3 DC H6 . . A . 3 DC H2'' . . . 3 . H6 . . . . . 3 . H2'' . . rr_1x2y 1 88 1 . . 2 1 2 2 DA H8 H . . . 2 1 2 2 DA H2'' H . . . . . 3.36 3.15 3.57 . . . . . B . 14 DA H8 . . B . 14 DA H2'' . . . 14 . H8 . . . . . 14 . H2'' . . rr_1x2y 1 89 1 . . 2 1 6 6 DT H6 H . . . 2 1 6 6 DT H2'' H . . . . . 4.07 3.86 4.28 . . . . . B . 18 DT H6 . . B . 18 DT H2'' . . . 18 . H6 . . . . . 18 . H2'' . . rr_1x2y 1 90 1 . . 2 1 9 9 DA H8 H . . . 2 1 9 9 DA H2'' H . . . . . 3.15 2.94 3.36 . . . . . B . 21 DA H8 . . B . 21 DA H2'' . . . 21 . H8 . . . . . 21 . H2'' . . rr_1x2y 1 91 1 . . 2 1 5 5 DG H8 H . . . 2 1 5 5 DG H2'' H . . . . . 3.95 3.74 4.16 . . . . . B . 17 DG H8 . . B . 17 DG H2'' . . . 17 . H8 . . . . . 17 . H2'' . . rr_1x2y 1 92 1 . . 2 1 1 1 DG H8 H . . . 2 1 1 1 DG H2'' H . . . . . 3.67 3.46 3.88 . . . . . B . 13 DG H8 . . B . 13 DG H2'' . . . 13 . H8 . . . . . 13 . H2'' . . rr_1x2y 1 93 1 . . 2 1 10 10 DG H8 H . . . 2 1 10 10 DG H2'' H . . . . . 4.17 3.96 4.38 . . . . . B . 22 DG H8 . . B . 22 DG H2'' . . . 22 . H8 . . . . . 22 . H2'' . . rr_1x2y 1 94 1 . . 2 1 3 3 DC H6 H . . . 2 1 3 3 DC H2'' H . . . . . 3.47 3.26 3.68 . . . . . B . 15 DC H6 . . B . 15 DC H2'' . . . 15 . H6 . . . . . 15 . H2'' . . rr_1x2y 1 95 1 . . 1 1 2 2 DA H1' H . . . 1 1 2 2 DA H2' H . . . . . 2.95 2.74 3.16 . . . . . A . 2 DA H1' . . A . 2 DA H2' . . . 2 . H1' . . . . . 2 . H2' . . rr_1x2y 1 96 1 . . 1 1 6 6 DT H1' H . . . 1 1 6 6 DT H2' H . . . . . 3.14 2.93 3.35 . . . . . A . 6 DT H1' . . A . 6 DT H2' . . . 6 . H1' . . . . . 6 . H2' . . rr_1x2y 1 97 1 . . 1 1 8 8 DC H1' H . . . 1 1 8 8 DC H2' H . . . . . 2.91 2.70 3.12 . . . . . A . 8 DC H1' . . A . 8 DC H2' . . . 8 . H1' . . . . . 8 . H2' . . rr_1x2y 1 98 1 . . 1 1 7 7 DG H1' H . . . 1 1 7 7 DG H2' H . . . . . 2.84 2.63 3.05 . . . . . A . 7 DG H1' . . A . 7 DG H2' . . . 7 . H1' . . . . . 7 . H2' . . rr_1x2y 1 99 1 . . 1 1 9 9 DA H1' H . . . 1 1 9 9 DA H2' H . . . . . 3.08 2.87 3.29 . . . . . A . 9 DA H1' . . A . 9 DA H2' . . . 9 . H1' . . . . . 9 . H2' . . rr_1x2y 1 100 1 . . 1 1 5 5 DG H1' H . . . 1 1 5 5 DG H2' H . . . . . 3.30 3.09 3.51 . . . . . A . 5 DG H1' . . A . 5 DG H2' . . . 5 . H1' . . . . . 5 . H2' . . rr_1x2y 1 101 1 . . 1 1 11 11 DT H1' H . . . 1 1 11 11 DT H2' H . . . . . 3.13 2.92 3.34 . . . . . A . 11 DT H1' . . A . 11 DT H2' . . . 11 . H1' . . . . . 11 . H2' . . rr_1x2y 1 102 1 . . 1 1 10 10 DG H2' H . . . 1 1 10 10 DG H1' H . . . . . 2.48 2.27 2.69 . . . . . A . 10 DG H2' . . A . 10 DG H1' . . . 10 . H2' . . . . . 10 . H1' . . rr_1x2y 1 103 1 . . 1 1 3 3 DC H1' H . . . 1 1 3 3 DC H2' H . . . . . 3.06 2.85 3.27 . . . . . A . 3 DC H1' . . A . 3 DC H2' . . . 3 . H1' . . . . . 3 . H2' . . rr_1x2y 1 104 1 . . 1 1 4 4 DT H1' H . . . 1 1 4 4 DT H2' H . . . . . 2.93 2.72 3.14 . . . . . A . 4 DT H1' . . A . 4 DT H2' . . . 4 . H1' . . . . . 4 . H2' . . rr_1x2y 1 105 1 . . 1 1 1 1 DG H1' H . . . 1 1 1 1 DG H2' H . . . . . 3.34 3.13 3.55 . . . . . A . 1 DG H1' . . A . 1 DG H2' . . . 1 . H1' . . . . . 1 . H2' . . rr_1x2y 1 106 1 . . 2 1 2 2 DA H1' H . . . 2 1 2 2 DA H2' H . . . . . 2.95 2.74 3.16 . . . . . B . 14 DA H1' . . B . 14 DA H2' . . . 14 . H1' . . . . . 14 . H2' . . rr_1x2y 1 107 1 . . 2 1 6 6 DT H1' H . . . 2 1 6 6 DT H2' H . . . . . 3.14 2.93 3.35 . . . . . B . 18 DT H1' . . B . 18 DT H2' . . . 18 . H1' . . . . . 18 . H2' . . rr_1x2y 1 108 1 . . 2 1 8 8 DC H1' H . . . 2 1 8 8 DC H2' H . . . . . 2.91 2.70 3.12 . . . . . B . 20 DC H1' . . B . 20 DC H2' . . . 20 . H1' . . . . . 20 . H2' . . rr_1x2y 1 109 1 . . 2 1 7 7 DG H1' H . . . 2 1 7 7 DG H2' H . . . . . 2.84 2.63 3.05 . . . . . B . 19 DG H1' . . B . 19 DG H2' . . . 19 . H1' . . . . . 19 . H2' . . rr_1x2y 1 110 1 . . 2 1 9 9 DA H1' H . . . 2 1 9 9 DA H2' H . . . . . 3.08 2.87 3.29 . . . . . B . 21 DA H1' . . B . 21 DA H2' . . . 21 . H1' . . . . . 21 . H2' . . rr_1x2y 1 111 1 . . 2 1 5 5 DG H1' H . . . 2 1 5 5 DG H2' H . . . . . 3.30 3.09 3.51 . . . . . B . 17 DG H1' . . B . 17 DG H2' . . . 17 . H1' . . . . . 17 . H2' . . rr_1x2y 1 112 1 . . 2 1 11 11 DT H1' H . . . 2 1 11 11 DT H2' H . . . . . 3.13 2.92 3.34 . . . . . B . 23 DT H1' . . B . 23 DT H2' . . . 23 . H1' . . . . . 23 . H2' . . rr_1x2y 1 113 1 . . 2 1 10 10 DG H2' H . . . 2 1 10 10 DG H1' H . . . . . 2.48 2.27 2.69 . . . . . B . 22 DG H2' . . B . 22 DG H1' . . . 22 . H2' . . . . . 22 . H1' . . rr_1x2y 1 114 1 . . 2 1 3 3 DC H1' H . . . 2 1 3 3 DC H2' H . . . . . 3.06 2.85 3.27 . . . . . B . 15 DC H1' . . B . 15 DC H2' . . . 15 . H1' . . . . . 15 . H2' . . rr_1x2y 1 115 1 . . 2 1 4 4 DT H1' H . . . 2 1 4 4 DT H2' H . . . . . 2.93 2.72 3.14 . . . . . B . 16 DT H1' . . B . 16 DT H2' . . . 16 . H1' . . . . . 16 . H2' . . rr_1x2y 1 116 1 . . 2 1 1 1 DG H1' H . . . 2 1 1 1 DG H2' H . . . . . 3.34 3.13 3.55 . . . . . B . 13 DG H1' . . B . 13 DG H2' . . . 13 . H1' . . . . . 13 . H2' . . rr_1x2y 1 117 1 . . 1 1 2 2 DA H1' H . . . 1 1 2 2 DA H2'' H . . . . . 2.32 2.11 2.53 . . . . . A . 2 DA H1' . . A . 2 DA H2'' . . . 2 . H1' . . . . . 2 . H2'' . . rr_1x2y 1 118 1 . . 1 1 6 6 DT H1' H . . . 1 1 6 6 DT H2'' H . . . . . 2.29 2.08 2.50 . . . . . A . 6 DT H1' . . A . 6 DT H2'' . . . 6 . H1' . . . . . 6 . H2'' . . rr_1x2y 1 119 1 . . 1 1 8 8 DC H1' H . . . 1 1 8 8 DC H2'' H . . . . . 2.09 1.88 2.30 . . . . . A . 8 DC H1' . . A . 8 DC H2'' . . . 8 . H1' . . . . . 8 . H2'' . . rr_1x2y 1 120 1 . . 1 1 7 7 DG H1' H . . . 1 1 7 7 DG H2'' H . . . . . 2.14 1.93 2.35 . . . . . A . 7 DG H1' . . A . 7 DG H2'' . . . 7 . H1' . . . . . 7 . H2'' . . rr_1x2y 1 121 1 . . 1 1 9 9 DA H1' H . . . 1 1 9 9 DA H2'' H . . . . . 2.41 2.20 2.62 . . . . . A . 9 DA H1' . . A . 9 DA H2'' . . . 9 . H1' . . . . . 9 . H2'' . . rr_1x2y 1 122 1 . . 1 1 5 5 DG H1' H . . . 1 1 5 5 DG H2'' H . . . . . 2.50 2.29 2.71 . . . . . A . 5 DG H1' . . A . 5 DG H2'' . . . 5 . H1' . . . . . 5 . H2'' . . rr_1x2y 1 123 1 . . 1 1 11 11 DT H1' H . . . 1 1 11 11 DT H2'' H . . . . . 2.31 2.10 2.52 . . . . . A . 11 DT H1' . . A . 11 DT H2'' . . . 11 . H1' . . . . . 11 . H2'' . . rr_1x2y 1 124 1 . . 1 1 10 10 DG H1' H . . . 1 1 10 10 DG H2'' H . . . . . 2.30 2.09 2.51 . . . . . A . 10 DG H1' . . A . 10 DG H2'' . . . 10 . H1' . . . . . 10 . H2'' . . rr_1x2y 1 125 1 . . 1 1 4 4 DT H1' H . . . 1 1 4 4 DT H2'' H . . . . . 2.16 1.95 2.37 . . . . . A . 4 DT H1' . . A . 4 DT H2'' . . . 4 . H1' . . . . . 4 . H2'' . . rr_1x2y 1 126 1 . . 1 1 1 1 DG H1' H . . . 1 1 1 1 DG H2'' H . . . . . 2.30 2.09 2.51 . . . . . A . 1 DG H1' . . A . 1 DG H2'' . . . 1 . H1' . . . . . 1 . H2'' . . rr_1x2y 1 127 1 . . 2 1 2 2 DA H1' H . . . 2 1 2 2 DA H2'' H . . . . . 2.32 2.11 2.53 . . . . . B . 14 DA H1' . . B . 14 DA H2'' . . . 14 . H1' . . . . . 14 . H2'' . . rr_1x2y 1 128 1 . . 2 1 6 6 DT H1' H . . . 2 1 6 6 DT H2'' H . . . . . 2.29 2.08 2.50 . . . . . B . 18 DT H1' . . B . 18 DT H2'' . . . 18 . H1' . . . . . 18 . H2'' . . rr_1x2y 1 129 1 . . 2 1 8 8 DC H1' H . . . 2 1 8 8 DC H2'' H . . . . . 2.09 1.88 2.30 . . . . . B . 20 DC H1' . . B . 20 DC H2'' . . . 20 . H1' . . . . . 20 . H2'' . . rr_1x2y 1 130 1 . . 2 1 7 7 DG H1' H . . . 2 1 7 7 DG H2'' H . . . . . 2.14 1.93 2.35 . . . . . B . 19 DG H1' . . B . 19 DG H2'' . . . 19 . H1' . . . . . 19 . H2'' . . rr_1x2y 1 131 1 . . 2 1 9 9 DA H1' H . . . 2 1 9 9 DA H2'' H . . . . . 2.41 2.20 2.62 . . . . . B . 21 DA H1' . . B . 21 DA H2'' . . . 21 . H1' . . . . . 21 . H2'' . . rr_1x2y 1 132 1 . . 2 1 5 5 DG H1' H . . . 2 1 5 5 DG H2'' H . . . . . 2.50 2.29 2.71 . . . . . B . 17 DG H1' . . B . 17 DG H2'' . . . 17 . H1' . . . . . 17 . H2'' . . rr_1x2y 1 133 1 . . 2 1 11 11 DT H1' H . . . 2 1 11 11 DT H2'' H . . . . . 2.31 2.10 2.52 . . . . . B . 23 DT H1' . . B . 23 DT H2'' . . . 23 . H1' . . . . . 23 . H2'' . . rr_1x2y 1 134 1 . . 2 1 10 10 DG H1' H . . . 2 1 10 10 DG H2'' H . . . . . 2.30 2.09 2.51 . . . . . B . 22 DG H1' . . B . 22 DG H2'' . . . 22 . H1' . . . . . 22 . H2'' . . rr_1x2y 1 135 1 . . 2 1 4 4 DT H1' H . . . 2 1 4 4 DT H2'' H . . . . . 2.16 1.95 2.37 . . . . . B . 16 DT H1' . . B . 16 DT H2'' . . . 16 . H1' . . . . . 16 . H2'' . . rr_1x2y 1 136 1 . . 2 1 1 1 DG H1' H . . . 2 1 1 1 DG H2'' H . . . . . 2.30 2.09 2.51 . . . . . B . 13 DG H1' . . B . 13 DG H2'' . . . 13 . H1' . . . . . 13 . H2'' . . rr_1x2y 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 71 6.530 7.585' 2 68 2 106 rr_1x2y 1 2 'ADN_aromat_inter_H1p.10 76 6.131 7.526' 3 68 3 107 rr_1x2y 1 3 'ADN_aromat_inter_H1p.11 54 5.904 8.126' 4 68 4 107 rr_1x2y 1 4 'ADN_aromat_inter_H1p.2 29 5.670 8.441' 5 68 5 106 rr_1x2y 1 5 'ADN_aromat_inter_H1p.3 28 5.870 8.545' 6 68 6 106 rr_1x2y 1 6 'ADN_aromat_inter_H1p.4 73 6.313 7.446' 7 68 7 106 rr_1x2y 1 7 'ADN_aromat_inter_H1p.5 68 6.266 7.872' 8 69 8 107 rr_1x2y 1 8 'ADN_aromat_inter_H1p.6 69 6.329 7.873' 9 70 9 108 rr_1x2y 1 9 'ADN_aromat_inter_H1p.8 55 6.018 8.133' 10 68 10 106 rr_1x2y 1 10 'ADN_aromat_inter_H1p.9 74 6.200 7.455' 11 68 11 106 rr_1x2y 1 11 'ADN_aromat_inter_H1p.1 71 6.530 7.585' 12 70 12 108 rr_1x2y 1 12 'ADN_aromat_inter_H1p.10 76 6.131 7.526' 13 70 13 109 rr_1x2y 1 13 'ADN_aromat_inter_H1p.11 54 5.904 8.126' 14 70 14 109 rr_1x2y 1 14 'ADN_aromat_inter_H1p.2 29 5.670 8.441' 15 70 15 108 rr_1x2y 1 15 'ADN_aromat_inter_H1p.3 28 5.870 8.545' 16 70 16 108 rr_1x2y 1 16 'ADN_aromat_inter_H1p.4 73 6.313 7.446' 17 70 17 108 rr_1x2y 1 17 'ADN_aromat_inter_H1p.5 68 6.266 7.872' 18 70 18 108 rr_1x2y 1 18 'ADN_aromat_inter_H1p.6 69 6.329 7.873' 19 70 19 108 rr_1x2y 1 19 'ADN_aromat_inter_H1p.8 55 6.018 8.133' 20 70 20 108 rr_1x2y 1 20 'ADN_aromat_inter_H1p.9 74 6.200 7.455' 21 70 21 108 rr_1x2y 1 21 'ADN_aromat_inter_H2p.1 240 2.063 8.447' 22 68 22 107 rr_1x2y 1 22 'ADN_aromat_inter_H2p.10 266 2.724 7.507' 23 70 23 110 rr_1x2y 1 23 'ADN_aromat_inter_H2p.2 237 2.778 8.547' 24 68 24 107 rr_1x2y 1 24 'ADN_aromat_inter_H2p.3 245 2.415 8.127' 25 68 25 107 rr_1x2y 1 25 'ADN_aromat_inter_H2p.4 250 3.020 7.879' 26 69 26 108 rr_1x2y 1 26 'ADN_aromat_inter_H2p.5 254 2.332 7.869' 27 70 27 109 rr_1x2y 1 27 'ADN_aromat_inter_H2p.6 261 3.040 7.590' 28 68 28 107 rr_1x2y 1 28 'ADN_aromat_inter_H2p.7 246 2.328 8.137' 29 68 29 107 rr_1x2y 1 29 'ADN_aromat_inter_H2p.8 266 2.724 7.507' 30 70 30 109 rr_1x2y 1 30 'ADN_aromat_inter_H2p.9 264 2.835 7.450' 31 68 31 107 rr_1x2y 1 31 'ADN_aromat_inter_H2p.1 240 2.063 8.447' 32 70 32 109 rr_1x2y 1 32 'ADN_aromat_inter_H2p.10 266 2.724 7.507' 33 70 33 110 rr_1x2y 1 33 'ADN_aromat_inter_H2p.2 237 2.778 8.547' 34 70 34 109 rr_1x2y 1 34 'ADN_aromat_inter_H2p.3 245 2.415 8.127' 35 70 35 109 rr_1x2y 1 35 'ADN_aromat_inter_H2p.4 250 3.020 7.879' 36 70 36 109 rr_1x2y 1 36 'ADN_aromat_inter_H2p.5 254 2.332 7.869' 37 70 37 109 rr_1x2y 1 37 'ADN_aromat_inter_H2p.6 261 3.040 7.590' 38 70 38 109 rr_1x2y 1 38 'ADN_aromat_inter_H2p.7 246 2.328 8.137' 39 70 39 109 rr_1x2y 1 39 'ADN_aromat_inter_H2p.8 266 2.724 7.507' 40 70 40 109 rr_1x2y 1 40 'ADN_aromat_inter_H2p.9 264 2.835 7.450' 41 70 41 109 rr_1x2y 1 41 'ADN_aromat_intra_H1p.1 25 6.526 8.545' 42 68 42 106 rr_1x2y 1 42 'ADN_aromat_intra_H1p.10 77 6.018 7.520' 43 68 43 107 rr_1x2y 1 43 'ADN_aromat_intra_H1p.11 72 6.318 7.488' 44 70 44 109 rr_1x2y 1 44 ; ADN_aromat_intra_H1p.12 78 5.900 7.446 assign (resid 8 and name H1') (resid 8 and name H6) 4.37 0.22 0.22 !ADN_aromat_intra_H1p.13 79 5.670 7.459 assign (resid 2 and name H1') (resid 2 and name H2) 3.55 0.23 0.23 !ADN_aromat_intra_H1p.2 26 6.525 8.257 ; 45 68 47 107 rr_1x2y 1 45 ; ADN_aromat_intra_H1p.3 27 6.261 8.441 assign (resid 7 and name H1') (resid 7 and name H8) 4.69 0.23 0.23 !ADN_aromat_intra_H1p.5 56 6.196 8.124 assign (resid 5 and name H1') (resid 5 and name H8) 4.91 0.25 0.25 !ADN_aromat_intra_H1p.6 57 6.309 8.133 ; 48 68 50 107 rr_1x2y 1 46 ; ADN_aromat_intra_H1p.7 66 6.113 7.868 assign (resid 12 and name H1') (resid 12 and name H6) 4.24 0.23 0.23 !ADN_aromat_intra_H1p.8 70 6.526 7.868 ; 51 70 52 109 rr_1x2y 1 47 'ADN_aromat_intra_H1p.9 75 6.135 7.581' 53 68 53 106 rr_1x2y 1 48 'ADN_aromat_intra_H1p.1 25 6.526 8.545' 54 70 54 108 rr_1x2y 1 49 'ADN_aromat_intra_H1p.10 77 6.018 7.520' 55 70 55 109 rr_1x2y 1 50 'ADN_aromat_intra_H1p.11 72 6.318 7.488' 56 70 56 109 rr_1x2y 1 51 ; ADN_aromat_intra_H1p.12 78 5.900 7.446 assign (resid 20 and name H1') (resid 20 and name H6) 4.37 0.22 0.22 !ADN_aromat_intra_H1p.13 79 5.670 7.459 assign (resid 14 and name H1') (resid 14 and name H2) 3.55 0.23 0.23 !ADN_aromat_intra_H1p.2 26 6.525 8.257 ; 57 70 59 109 rr_1x2y 1 52 ; ADN_aromat_intra_H1p.3 27 6.261 8.441 assign (resid 19 and name H1') (resid 19 and name H8) 4.69 0.23 0.23 !ADN_aromat_intra_H1p.5 56 6.196 8.124 assign (resid 17 and name H1') (resid 17 and name H8) 4.91 0.25 0.25 !ADN_aromat_intra_H1p.6 57 6.309 8.133 ; 60 70 62 109 rr_1x2y 1 53 ; ADN_aromat_intra_H1p.7 66 6.113 7.868 assign (resid 24 and name H1') (resid 24 and name H6) 4.24 0.23 0.23 !ADN_aromat_intra_H1p.8 70 6.526 7.868 ; 63 70 64 109 rr_1x2y 1 54 'ADN_aromat_intra_H1p.9 75 6.135 7.581' 65 70 65 108 rr_1x2y 1 55 'ADN_aromat_inter_H2pp.1 239 2.477 8.447' 66 69 66 109 rr_1x2y 1 56 'ADN_aromat_inter_H2pp.10 263 2.954 7.481' 67 69 67 110 rr_1x2y 1 57 'ADN_aromat_inter_H2pp.3 244 2.576 8.127' 68 69 68 109 rr_1x2y 1 58 'ADN_aromat_inter_H2pp.4 249 3.139 7.874' 69 70 69 110 rr_1x2y 1 59 'ADN_aromat_inter_H2pp.6 257 3.169 7.585' 70 69 70 109 rr_1x2y 1 60 'ADN_aromat_inter_H2pp.8 263 2.954 7.481' 71 69 71 109 rr_1x2y 1 61 'ADN_aromat_inter_H2pp.9 262 3.064 7.445' 72 69 72 109 rr_1x2y 1 62 'ADN_aromat_inter_H2pp.1 239 2.477 8.447' 73 71 73 111 rr_1x2y 1 63 'ADN_aromat_inter_H2pp.10 263 2.954 7.481' 74 71 74 112 rr_1x2y 1 64 'ADN_aromat_inter_H2pp.3 244 2.576 8.127' 75 71 75 111 rr_1x2y 1 65 'ADN_aromat_inter_H2pp.4 249 3.139 7.874' 76 71 76 111 rr_1x2y 1 66 'ADN_aromat_inter_H2pp.6 257 3.169 7.585' 77 71 77 111 rr_1x2y 1 67 'ADN_aromat_inter_H2pp.8 263 2.954 7.481' 78 71 78 111 rr_1x2y 1 68 'ADN_aromat_inter_H2pp.9 262 3.064 7.445' 79 71 79 111 rr_1x2y 1 69 'ADN_aromat_intra_H2p.10 269 2.333 7.518' 80 68 80 108 rr_1x2y 1 70 'ADN_aromat_intra_H2p.12 272 2.070 7.466' 81 68 81 108 rr_1x2y 1 71 'ADN_aromat_intra_H2p.2 238 3.015 8.447' 82 68 82 107 rr_1x2y 1 72 'ADN_aromat_intra_H2p.4 243 2.776 8.143' 83 68 83 107 rr_1x2y 1 73 'ADN_aromat_intra_H2p.6 252 2.742 7.871' 84 70 84 109 rr_1x2y 1 74 'ADN_aromat_intra_H2p.7 253 2.518 7.869' 85 70 85 109 rr_1x2y 1 75 'ADN_aromat_intra_H2p.8 270 2.206 7.583' 86 68 86 107 rr_1x2y 1 76 'ADN_aromat_intra_H2p.10 269 2.333 7.518' 87 70 87 110 rr_1x2y 1 77 'ADN_aromat_intra_H2p.12 272 2.070 7.466' 88 70 88 110 rr_1x2y 1 78 'ADN_aromat_intra_H2p.2 238 3.015 8.447' 89 70 89 109 rr_1x2y 1 79 'ADN_aromat_intra_H2p.4 243 2.776 8.143' 90 70 90 109 rr_1x2y 1 80 'ADN_aromat_intra_H2p.6 252 2.742 7.871' 91 70 91 109 rr_1x2y 1 81 'ADN_aromat_intra_H2p.7 253 2.518 7.869' 92 70 92 109 rr_1x2y 1 82 'ADN_aromat_intra_H2p.8 270 2.206 7.583' 93 70 93 109 rr_1x2y 1 83 'ADN_aromat_intra_H2pp.1 234 3.162 8.550' 94 69 94 109 rr_1x2y 1 84 ; ADN_aromat_intra_H2pp.11 267 2.570 7.447 assign (resid 4 and name H2') (resid 4 and name H6) 3.13 0.30 0.30 !ADN_aromat_intra_H2pp.12 269 2.333 7.518 ; 95 69 96 110 rr_1x2y 1 85 'ADN_aromat_intra_H2pp.2 235 3.139 8.447' 97 69 97 109 rr_1x2y 1 86 'ADN_aromat_intra_H2pp.4 241 3.074 8.143' 98 69 98 109 rr_1x2y 1 87 'ADN_aromat_intra_H2pp.5 242 2.985 8.143' 99 69 99 109 rr_1x2y 1 88 'ADN_aromat_intra_H2pp.6 251 2.945 7.874' 100 71 100 111 rr_1x2y 1 89 'ADN_aromat_intra_H2pp.7 253 2.518 7.869' 101 70 101 110 rr_1x2y 1 90 'ADN_aromat_intra_H2pp.8 265 2.703 7.580' 102 69 102 109 rr_1x2y 1 91 'ADN_aromat_intra_H2pp.1 234 3.162 8.550' 103 71 103 111 rr_1x2y 1 92 ; ADN_aromat_intra_H2pp.11 267 2.570 7.447 assign (resid 16 and name H2') (resid 16 and name H6) 3.13 0.30 0.30 !ADN_aromat_intra_H2pp.12 269 2.333 7.518 ; 104 71 105 112 rr_1x2y 1 93 'ADN_aromat_intra_H2pp.2 235 3.139 8.447' 106 71 106 111 rr_1x2y 1 94 'ADN_aromat_intra_H2pp.4 241 3.074 8.143' 107 71 107 111 rr_1x2y 1 95 'ADN_aromat_intra_H2pp.5 242 2.985 8.143' 108 71 108 111 rr_1x2y 1 96 'ADN_aromat_intra_H2pp.6 251 2.945 7.874' 109 71 109 111 rr_1x2y 1 97 'ADN_aromat_intra_H2pp.7 253 2.518 7.869' 110 70 110 110 rr_1x2y 1 98 ; ADN_aromat_intra_H2pp.8 265 2.703 7.580 assign (resid 2 and name H3') (resid 2 and name H8) 6.30 0.56 0.56 !ADN_aromat_intra_H3p.1 34 4.731 8.548 assign (resid 6 and name H3') (resid 6 and name H6) 4.04 0.23 0.23 !ADN_aromat_intra_H3p.11 98 4.326 7.448 assign (resid 9 and name H3') (resid 9 and name H8) 4.64 0.26 0.26 !ADN_aromat_intra_H3p.2 35 4.636 8.444 assign (resid 1 and name H3') (resid 2 and name H8) 5.24 0.28 0.28 !ADN_aromat_intra_H3p.3 36 4.454 8.547 assign (resid 7 and name H3') (resid 7 and name H8) 4.09 0.23 0.23 !ADN_aromat_intra_H3p.5 46 4.349 8.130 assign (resid 10 and name H3') (resid 10 and name H8) 4.21 0.23 0.23 !ADN_aromat_intra_H3p.6 58 4.266 7.868 assign (resid 12 and name H3') (resid 12 and name H6) 3.75 0.23 0.23 !ADN_aromat_intra_H3p.7 59 4.437 7.871 assign (resid 3 and name H3') (resid 3 and name H6) 4.43 0.25 0.25 !ADN_aromat_intra_H3p.8 92 4.551 7.587 assign (resid 4 and name H3') (resid 4 and name H6) 3.21 0.22 0.22 !ADN_aromat_intra_H3p.9 97 4.355 7.520 assign (resid 14 and name H3') (resid 14 and name H8) 6.30 0.56 0.56 !ADN_aromat_intra_H3p.1 34 4.731 8.548 assign (resid 18 and name H3') (resid 18 and name H6) 4.04 0.23 0.23 !ADN_aromat_intra_H3p.11 98 4.326 7.448 assign (resid 21 and name H3') (resid 21 and name H8) 4.64 0.26 0.26 !ADN_aromat_intra_H3p.2 35 4.636 8.444 assign (resid 13 and name H3') (resid 13 and name H8) 5.24 0.28 0.28 !ADN_aromat_intra_H3p.3 36 4.454 8.547 assign (resid 19 and name H3') (resid 19 and name H8) 4.09 0.23 0.23 !ADN_aromat_intra_H3p.5 46 4.349 8.130 assign (resid 22 and name H3') (resid 22 and name H8) 4.21 0.23 0.23 !ADN_aromat_intra_H3p.6 58 4.266 7.868 assign (resid 24 and name H3') (resid 24 and name H6) 3.75 0.23 0.23 !ADN_aromat_intra_H3p.7 59 4.437 7.871 assign (resid 15 and name H3') (resid 15 and name H6) 4.43 0.25 0.25 !ADN_aromat_intra_H3p.8 92 4.551 7.587 assign (resid 16 and name H3') (resid 16 and name H6) 3.21 0.22 0.22 !ADN_aromat_intra_H3p.9 97 4.355 7.520 ; 111 71 129 109 rr_1x2y 1 99 'ADN_H1p_H2p.1 352 3.026 6.534' 130 69 130 99 rr_1x2y 1 100 'ADN_H1p_H2p.10 375 2.411 5.906' 131 69 131 100 rr_1x2y 1 101 'ADN_H1p_H2p.11 381 2.057 5.668' 132 69 132 100 rr_1x2y 1 102 'ADN_H1p_H2p.12 366 2.750 6.198' 133 69 133 100 rr_1x2y 1 103 'ADN_H1p_H2p.2 353 2.514 6.531' 134 71 134 101 rr_1x2y 1 104 'ADN_H1p_H2p.3 356 3.014 6.275' 135 69 135 99 rr_1x2y 1 105 'ADN_H1p_H2p.4 357 2.838 6.318' 136 69 136 99 rr_1x2y 1 106 'ADN_H1p_H2p.5 359 2.327 6.321' 137 71 137 101 rr_1x2y 1 107 'ADN_H1p_H2p.6 367 2.730 6.136' 138 71 138 101 rr_1x2y 1 108 'ADN_H1p_H2p.7 377 2.208 6.139' 139 69 139 99 rr_1x2y 1 109 'ADN_H1p_H2p.8 376 2.324 6.022' 140 69 140 99 rr_1x2y 1 110 'ADN_H1p_H2p.9 370 2.777 5.879' 141 69 141 99 rr_1x2y 1 111 'ADN_H1p_H2p.1 352 3.026 6.534' 142 71 142 101 rr_1x2y 1 112 'ADN_H1p_H2p.10 375 2.411 5.906' 143 71 143 102 rr_1x2y 1 113 'ADN_H1p_H2p.11 381 2.057 5.668' 144 71 144 102 rr_1x2y 1 114 'ADN_H1p_H2p.12 366 2.750 6.198' 145 71 145 102 rr_1x2y 1 115 'ADN_H1p_H2p.2 353 2.514 6.531' 146 71 146 101 rr_1x2y 1 116 'ADN_H1p_H2p.3 356 3.014 6.275' 147 71 147 101 rr_1x2y 1 117 'ADN_H1p_H2p.4 357 2.838 6.318' 148 71 148 101 rr_1x2y 1 118 'ADN_H1p_H2p.5 359 2.327 6.321' 149 71 149 101 rr_1x2y 1 119 'ADN_H1p_H2p.6 367 2.730 6.136' 150 71 150 101 rr_1x2y 1 120 'ADN_H1p_H2p.7 377 2.208 6.139' 151 71 151 101 rr_1x2y 1 121 'ADN_H1p_H2p.8 376 2.324 6.022' 152 71 152 101 rr_1x2y 1 122 'ADN_H1p_H2p.9 370 2.777 5.879' 153 71 153 101 rr_1x2y 1 123 'ADN_H1p_H2pp.1 351 3.165 6.531' 154 70 154 101 rr_1x2y 1 124 'ADN_H1p_H2pp.10 371 2.570 5.902' 155 70 155 102 rr_1x2y 1 125 'ADN_H1p_H2pp.11 374 2.472 5.668' 156 70 156 102 rr_1x2y 1 126 'ADN_H1p_H2pp.12 364 2.972 6.198' 157 70 157 102 rr_1x2y 1 127 'ADN_H1p_H2pp.2 353 2.514 6.531' 158 71 158 102 rr_1x2y 1 128 'ADN_H1p_H2pp.3 354 3.139 6.272' 159 70 159 101 rr_1x2y 1 129 'ADN_H1p_H2pp.4 355 3.057 6.315' 160 70 160 101 rr_1x2y 1 130 'ADN_H1p_H2pp.5 358 2.727 6.323' 161 72 161 103 rr_1x2y 1 131 'ADN_H1p_H2pp.6 365 2.940 6.122' 162 72 162 103 rr_1x2y 1 132 'ADN_H1p_H2pp.8 368 2.690 6.022' 163 70 163 101 rr_1x2y 1 133 'ADN_H1p_H2pp.9 369 2.983 5.879' 164 70 164 101 rr_1x2y 1 134 'ADN_H1p_H2pp.1 351 3.165 6.531' 165 72 165 103 rr_1x2y 1 135 'ADN_H1p_H2pp.10 371 2.570 5.902' 166 72 166 104 rr_1x2y 1 136 'ADN_H1p_H2pp.11 374 2.472 5.668' 167 72 167 104 rr_1x2y 1 137 'ADN_H1p_H2pp.12 364 2.972 6.198' 168 72 168 104 rr_1x2y 1 138 'ADN_H1p_H2pp.2 353 2.514 6.531' 169 71 169 102 rr_1x2y 1 139 'ADN_H1p_H2pp.3 354 3.139 6.272' 170 72 170 103 rr_1x2y 1 140 'ADN_H1p_H2pp.4 355 3.057 6.315' 171 72 171 103 rr_1x2y 1 141 'ADN_H1p_H2pp.5 358 2.727 6.323' 172 72 172 103 rr_1x2y 1 142 'ADN_H1p_H2pp.6 365 2.940 6.122' 173 72 173 103 rr_1x2y 1 143 'ADN_H1p_H2pp.8 368 2.690 6.022' 174 72 174 103 rr_1x2y 1 144 'ADN_H1p_H2pp.9 369 2.983 5.879' 175 72 175 103 rr_1x2y 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 74 1 "Not handling restraint 74, item 1, resonance(s) ' .12.H2*' (nmrStar names) not linked" rr_1x2y 1 2 2 81 1 "Not handling restraint 81, item 1, resonance(s) ' .24.H2*' (nmrStar names) not linked" rr_1x2y 1 3 2 89 1 "Not handling restraint 89, item 1, resonance(s) ' .12.H2*' (nmrStar names) not linked" rr_1x2y 1 4 2 97 1 "Not handling restraint 97, item 1, resonance(s) ' .24.H2*' (nmrStar names) not linked" rr_1x2y 1 5 2 103 1 "Not handling restraint 103, item 1, resonance(s) ' .12.H2*' (nmrStar names) not linked" rr_1x2y 1 6 2 115 1 "Not handling restraint 115, item 1, resonance(s) ' .24.H2*' (nmrStar names) not linked" rr_1x2y 1 7 2 127 1 "Not handling restraint 127, item 1, resonance(s) ' .12.H2*' (nmrStar names) not linked" rr_1x2y 1 8 2 138 1 "Not handling restraint 138, item 1, resonance(s) ' .24.H2*' (nmrStar names) not linked" rr_1x2y 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_1x2y _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_1x2y 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 . . 10.854 . . . . . . . . A . 1 DG H8 . . A . 1 DG C8 . . . 1 . H8 . . . . . 1 . C8 . . rr_1x2y 1 2 . 1 1 2 2 DA C8 C . . . 1 1 2 2 DA H8 H . . 6.875 . . . . . . . . A . 2 DA H8 . . A . 2 DA C8 . . . 2 . H8 . . . . . 2 . C8 . . rr_1x2y 1 3 . 1 1 3 3 DC C6 C . . . 1 1 3 3 DC H6 H . . 8.417 . . . . . . . . A . 3 DC H6 . . A . 3 DC C6 . . . 3 . H6 . . . . . 3 . C6 . . rr_1x2y 1 4 . 1 1 4 4 DT C6 C . . . 1 1 4 4 DT H6 H . . 10.647 . . . . . . . . A . 4 DT H6 . . A . 4 DT C6 . . . 4 . H6 . . . . . 4 . C6 . . rr_1x2y 1 5 . 1 1 5 5 DG C8 C . . . 1 1 5 5 DG H8 H . . 7.808 . . . . . . . . A . 5 DG H8 . . A . 5 DG C8 . . . 5 . H8 . . . . . 5 . C8 . . rr_1x2y 1 6 . 1 1 6 6 DT C6 C . . . 1 1 6 6 DT H6 H . . 14.570 . . . . . . . . A . 6 DT H6 . . A . 6 DT C6 . . . 6 . H6 . . . . . 6 . C6 . . rr_1x2y 1 7 . 1 1 7 7 DG C8 C . . . 1 1 7 7 DG H8 H . . 7.808 . . . . . . . . A . 7 DG H8 . . A . 7 DG C8 . . . 7 . H8 . . . . . 7 . C8 . . rr_1x2y 1 8 . 1 1 9 9 DA C8 C . . . 1 1 9 9 DA H8 H . . 12.026 . . . . . . . . A . 9 DA H8 . . A . 9 DA C8 . . . 9 . H8 . . . . . 9 . C8 . . rr_1x2y 1 9 . 1 1 10 10 DG C8 C . . . 1 1 10 10 DG H8 H . . 8.640 . . . . . . . . A . 10 DG H8 . . A . 10 DG C8 . . . 10 . H8 . . . . . 10 . C8 . . rr_1x2y 1 10 . 1 1 11 11 DT C6 C . . . 1 1 11 11 DT H6 H . . 7.107 . . . . . . . . A . 11 DT H6 . . A . 11 DT C6 . . . 11 . H6 . . . . . 11 . C6 . . rr_1x2y 1 11 . 1 1 12 12 DC C6 C . . . 1 1 12 12 DC H6 H . . 4.887 . . . . . . . . A . 12 DC H6 . . A . 12 DC C6 . . . 12 . H6 . . . . . 12 . C6 . . rr_1x2y 1 12 . 2 1 1 1 DG C8 C . . . 2 1 1 1 DG H8 H . . 10.854 . . . . . . . . B . 13 DG H8 . . B . 13 DG C8 . . . 13 . H8 . . . . . 13 . C8 . . rr_1x2y 1 13 . 2 1 2 2 DA C8 C . . . 2 1 2 2 DA H8 H . . 6.875 . . . . . . . . B . 14 DA H8 . . B . 14 DA C8 . . . 14 . H8 . . . . . 14 . C8 . . rr_1x2y 1 14 . 2 1 3 3 DC C6 C . . . 2 1 3 3 DC H6 H . . 8.417 . . . . . . . . B . 15 DC H6 . . B . 15 DC C6 . . . 15 . H6 . . . . . 15 . C6 . . rr_1x2y 1 15 . 2 1 4 4 DT C6 C . . . 2 1 4 4 DT H6 H . . 10.647 . . . . . . . . B . 16 DT H6 . . B . 16 DT C6 . . . 16 . H6 . . . . . 16 . C6 . . rr_1x2y 1 16 . 2 1 5 5 DG C8 C . . . 2 1 5 5 DG H8 H . . 7.808 . . . . . . . . B . 17 DG H8 . . B . 17 DG C8 . . . 17 . H8 . . . . . 17 . C8 . . rr_1x2y 1 17 . 2 1 6 6 DT C6 C . . . 2 1 6 6 DT H6 H . . 14.570 . . . . . . . . B . 18 DT H6 . . B . 18 DT C6 . . . 18 . H6 . . . . . 18 . C6 . . rr_1x2y 1 18 . 2 1 7 7 DG C8 C . . . 2 1 7 7 DG H8 H . . 7.808 . . . . . . . . B . 19 DG H8 . . B . 19 DG C8 . . . 19 . H8 . . . . . 19 . C8 . . rr_1x2y 1 19 . 2 1 9 9 DA C8 C . . . 2 1 9 9 DA H8 H . . 12.026 . . . . . . . . B . 21 DA H8 . . B . 21 DA C8 . . . 21 . H8 . . . . . 21 . C8 . . rr_1x2y 1 20 . 2 1 10 10 DG C8 C . . . 2 1 10 10 DG H8 H . . 8.640 . . . . . . . . B . 22 DG H8 . . B . 22 DG C8 . . . 22 . H8 . . . . . 22 . C8 . . rr_1x2y 1 21 . 2 1 11 11 DT C6 C . . . 2 1 11 11 DT H6 H . . 7.107 . . . . . . . . B . 23 DT H6 . . B . 23 DT C6 . . . 23 . H6 . . . . . 23 . C6 . . rr_1x2y 1 22 . 2 1 12 12 DC C6 C . . . 2 1 12 12 DC H6 H . . 4.887 . . . . . . . . B . 24 DC H6 . . B . 24 DC C6 . . . 24 . H6 . . . . . 24 . C6 . . rr_1x2y 1 23 . 1 1 1 1 DG C1' C . . . 1 1 1 1 DG H1' H . . 4.812 . . . . . . . . A . 1 DG H1' . . A . 1 DG C1' . . . 1 . H1' . . . . . 1 . C1' . . rr_1x2y 1 24 . 1 1 2 2 DA C1' C . . . 1 1 2 2 DA H1' H . . 9.032 . . . . . . . . A . 2 DA H1' . . A . 2 DA C1' . . . 2 . H1' . . . . . 2 . C1' . . rr_1x2y 1 25 . 1 1 5 5 DG C1' C . . . 1 1 5 5 DG H1' H . . 7.312 . . . . . . . . A . 5 DG H1' . . A . 5 DG C1' . . . 5 . H1' . . . . . 5 . C1' . . rr_1x2y 1 26 . 1 1 7 7 DG C1' C . . . 1 1 7 7 DG H1' H . . 9.892 . . . . . . . . A . 7 DG H1' . . A . 7 DG C1' . . . 7 . H1' . . . . . 7 . C1' . . rr_1x2y 1 27 . 1 1 10 10 DG C1' C . . . 1 1 10 10 DG H1' H . . 6.693 . . . . . . . . A . 10 DG H1' . . A . 10 DG C1' . . . 10 . H1' . . . . . 10 . C1' . . rr_1x2y 1 28 . 1 1 11 11 DT C1' C . . . 1 1 11 11 DT H1' H . . 5.060 . . . . . . . . A . 11 DT H1' . . A . 11 DT C1' . . . 11 . H1' . . . . . 11 . C1' . . rr_1x2y 1 29 . 1 1 12 12 DC C1' C . . . 1 1 12 12 DC H1' H . . 2.589 . . . . . . . . A . 12 DC H1' . . A . 12 DC C1' . . . 12 . H1' . . . . . 12 . C1' . . rr_1x2y 1 30 . 2 1 1 1 DG C1' C . . . 2 1 1 1 DG H1' H . . 4.812 . . . . . . . . B . 13 DG H1' . . B . 13 DG C1' . . . 13 . H1' . . . . . 13 . C1' . . rr_1x2y 1 31 . 2 1 2 2 DA C1' C . . . 2 1 2 2 DA H1' H . . 9.032 . . . . . . . . B . 14 DA H1' . . B . 14 DA C1' . . . 14 . H1' . . . . . 14 . C1' . . rr_1x2y 1 32 . 2 1 5 5 DG C1' C . . . 2 1 5 5 DG H1' H . . 7.312 . . . . . . . . B . 17 DG H1' . . B . 17 DG C1' . . . 17 . H1' . . . . . 17 . C1' . . rr_1x2y 1 33 . 2 1 7 7 DG C1' C . . . 2 1 7 7 DG H1' H . . 9.892 . . . . . . . . B . 19 DG H1' . . B . 19 DG C1' . . . 19 . H1' . . . . . 19 . C1' . . rr_1x2y 1 34 . 2 1 10 10 DG C1' C . . . 2 1 10 10 DG H1' H . . 6.693 . . . . . . . . B . 22 DG H1' . . B . 22 DG C1' . . . 22 . H1' . . . . . 22 . C1' . . rr_1x2y 1 35 . 2 1 11 11 DT C1' C . . . 2 1 11 11 DT H1' H . . 5.060 . . . . . . . . B . 23 DT H1' . . B . 23 DT C1' . . . 23 . H1' . . . . . 23 . C1' . . rr_1x2y 1 36 . 2 1 12 12 DC C1' C . . . 2 1 12 12 DC H1' H . . 2.589 . . . . . . . . B . 24 DC H1' . . B . 24 DC C1' . . . 24 . H1' . . . . . 24 . C1' . . rr_1x2y 1 37 . 1 1 2 2 DA C2 C . . . 1 1 2 2 DA H2 H . . 10.377 . . . . . . . . A . 2 DA C2 . . A . 2 DA H2 . . . 2 . C2 . . . . . 2 . H2 . . rr_1x2y 1 38 . 2 1 2 2 DA C2 C . . . 2 1 2 2 DA H2 H . . 10.377 . . . . . . . . B . 14 DA C2 . . B . 14 DA H2 . . . 14 . C2 . . . . . 14 . H2 . . rr_1x2y 1 39 . 1 1 3 3 DC C5 C . . . 1 1 3 3 DC H5 H . . 6.498 . . . . . . . . A . 3 DC C5 . . A . 3 DC H5 . . . 3 . C5 . . . . . 3 . H5 . . rr_1x2y 1 40 . 1 1 8 8 DC C5 C . . . 1 1 8 8 DC H5 H . . 12.836 . . . . . . . . A . 8 DC C5 . . A . 8 DC H5 . . . 8 . C5 . . . . . 8 . H5 . . rr_1x2y 1 41 . 1 1 12 12 DC C5 C . . . 1 1 12 12 DC H5 H . . 7.520 . . . . . . . . A . 12 DC C5 . . A . 12 DC H5 . . . 12 . C5 . . . . . 12 . H5 . . rr_1x2y 1 42 . 2 1 3 3 DC C5 C . . . 2 1 3 3 DC H5 H . . 6.498 . . . . . . . . B . 15 DC C5 . . B . 15 DC H5 . . . 15 . C5 . . . . . 15 . H5 . . rr_1x2y 1 43 . 2 1 8 8 DC C5 C . . . 2 1 8 8 DC H5 H . . 12.836 . . . . . . . . B . 20 DC C5 . . B . 20 DC H5 . . . 20 . C5 . . . . . 20 . H5 . . rr_1x2y 1 44 . 2 1 12 12 DC C5 C . . . 2 1 12 12 DC H5 H . . 7.520 . . . . . . . . B . 24 DC C5 . . B . 24 DC H5 . . . 24 . C5 . . . . . 24 . H5 . . rr_1x2y 1 45 . 1 1 1 1 DG C4' C . . . 1 1 1 1 DG H4' H . . 5.903 . . . . . . . . A . 1 DG C4' . . A . 1 DG H4' . . . 1 . C4' . . . . . 1 . H4' . . rr_1x2y 1 46 . 1 1 6 6 DT C4' C . . . 1 1 6 6 DT H4' H . . -6.352 . . . . . . . . A . 6 DT C4' . . A . 6 DT H4' . . . 6 . C4' . . . . . 6 . H4' . . rr_1x2y 1 47 . 1 1 7 7 DG C4' C . . . 1 1 7 7 DG H4' H . . 6.797 . . . . . . . . A . 7 DG C4' . . A . 7 DG H4' . . . 7 . C4' . . . . . 7 . H4' . . rr_1x2y 1 48 . 1 1 12 12 DC C4' C . . . 1 1 12 12 DC H4' H . . 5.797 . . . . . . . . A . 12 DC C4' . . A . 12 DC H4' . . . 12 . C4' . . . . . 12 . H4' . . rr_1x2y 1 49 . 2 1 1 1 DG C4' C . . . 2 1 1 1 DG H4' H . . 5.903 . . . . . . . . B . 13 DG C4' . . B . 13 DG H4' . . . 13 . C4' . . . . . 13 . H4' . . rr_1x2y 1 50 . 2 1 6 6 DT C4' C . . . 2 1 6 6 DT H4' H . . -6.352 . . . . . . . . B . 18 DT C4' . . B . 18 DT H4' . . . 18 . C4' . . . . . 18 . H4' . . rr_1x2y 1 51 . 2 1 7 7 DG C4' C . . . 2 1 7 7 DG H4' H . . 6.797 . . . . . . . . B . 19 DG C4' . . B . 19 DG H4' . . . 19 . C4' . . . . . 19 . H4' . . rr_1x2y 1 52 . 2 1 12 12 DC C4' C . . . 2 1 12 12 DC H4' H . . 5.797 . . . . . . . . B . 24 DC C4' . . B . 24 DC H4' . . . 24 . C4' . . . . . 24 . H4' . . rr_1x2y 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 ; 3 1 4 24 rr_1x2y 1 2 ; 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 C6 ) ( resid 8 and name H6 ) 16.877 2.500 ; 59 1 64 81 rr_1x2y 1 3 ; 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 C6 ) ( resid 20 and name H6 ) 16.877 2.500 ; 152 1 157 69 rr_1x2y 1 4 ; 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' ) -2.008 2.500 assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 4 and name C1' ) ( resid 4 and name H1' ) 6.325 2.500 ; 204 1 216 65 rr_1x2y 1 5 ; 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' ) 7.767 2.500 ; 225 1 230 62 rr_1x2y 1 6 ; 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 C1' ) ( resid 8 and name H1' ) 7.232 2.500 assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 9 and name C1' ) ( resid 9 and name H1' ) 7.075 2.500 ; 240 1 252 61 rr_1x2y 1 7 ; 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' ) -2.008 2.500 assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 16 and name C1' ) ( resid 16 and name H1' ) 6.325 2.500 ; 290 1 302 65 rr_1x2y 1 8 ; 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' ) 7.767 2.500 ; 311 1 316 63 rr_1x2y 1 9 ; 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 C1' ) ( resid 20 and name H1' ) 7.232 2.500 assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 21 and name C1' ) ( resid 21 and name H1' ) 7.075 2.500 ; 326 1 338 60 rr_1x2y 1 10 ; assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 9 and name C2 ) ( resid 9 and name H2 ) 13.774 2.500 assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 21 and name C2 ) ( resid 21 and name H2 ) 13.774 2.500 ; 378 1 391 59 rr_1x2y 1 11 ; 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' ) 2.248 2.500 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' ) -2.396 2.500 assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 4 and name C4' ) ( resid 4 and name H4' ) 5.012 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' ) -1.778 2.500 ; 453 1 479 59 rr_1x2y 1 12 ; 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' ) 6.384 2.500 assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 9 and name C4' ) ( resid 9 and name H4' ) 9.500 2.500 assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 10 and name C4' ) ( resid 10 and name H4' ) 11.162 2.500 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 C4' ) ( resid 11 and name H4' ) 10.038 2.500 ; 495 1 521 59 rr_1x2y 1 13 ; 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' ) 2.248 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' ) -2.396 2.500 assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 16 and name C4' ) ( resid 16 and name H4' ) 5.012 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' ) -1.778 2.500 ; 540 1 566 59 rr_1x2y 1 14 ; 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' ) 6.384 2.500 assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 21 and name C4' ) ( resid 21 and name H4' ) 9.500 2.500 assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 22 and name C4' ) ( resid 22 and name H4' ) 11.162 2.500 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 C4' ) ( resid 23 and name H4' ) 10.038 2.500 ; 582 1 608 59 rr_1x2y 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_1x2y _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 1X2Y *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*GP*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, TANDEM GT *KEYWDS 2 MISMATCHES *EXPDTA NMR *AUTHOR F.ALVAREZ-SALGADO, H.DESVAUX, Y.BOULARD *REVDAT 1 01-AUG-06 1X2Y 0" save_