data_Remediated_restraints_file_for_PDB_entry_1szy # This BMRB archive file contains, for PDB entry 1szy: # # - 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_1szy _Entry.Title 'wwPDB remediated NMR restraints for PDB entry 1szy' _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 1szy' _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 1szy 'Master copy' rr_1szy stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_1szy _Assembly.ID 1 _Assembly.Name 1szy _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 6767.07656 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 R P GP GP CP AP GP GP GP CP UP CP AP UP AP AP CP CP CP UP GP CP C 3' 1 $5__R_P_GP_GP_CP_AP_GP_GP_GP_CP_UP_CP_AP_UP_AP_AP_CP_CP_CP_UP_GP_CP_C__3_ A . no . . . . . . rr_1szy 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_5__R_P_GP_GP_CP_AP_GP_GP_GP_CP_UP_CP_AP_UP_AP_AP_CP_CP_CP_UP_GP_CP_C__3_ _Entity.Sf_category entity _Entity.Sf_framecode 5__R_P_GP_GP_CP_AP_GP_GP_GP_CP_UP_CP_AP_UP_AP_AP_CP_CP_CP_UP_GP_CP_C__3_ _Entity.Entry_ID rr_1szy _Entity.ID 1 _Entity.Name 5__R_P_GP_GP_CP_AP_GP_GP_GP_CP_UP_CP_AP_UP_AP_AP_CP_CP_CP_UP_GP_CP_C__3_ _Entity.Type polymer _Entity.Polymer_type polyribonucleotide _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code ; GGCAGGGCUCAUAACCCUGC C ; _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 21 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Parent_entity_ID 1 _Entity.Formula_weight 6767.07656 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 . G . rr_1szy 1 2 . G . rr_1szy 1 3 . C . rr_1szy 1 4 . A . rr_1szy 1 5 . G . rr_1szy 1 6 . G . rr_1szy 1 7 . G . rr_1szy 1 8 . C . rr_1szy 1 9 . U . rr_1szy 1 10 . C . rr_1szy 1 11 . A . rr_1szy 1 12 . U . rr_1szy 1 13 . A . rr_1szy 1 14 . A . rr_1szy 1 15 . C . rr_1szy 1 16 . C . rr_1szy 1 17 . C . rr_1szy 1 18 . U . rr_1szy 1 19 . G . rr_1szy 1 20 . C . rr_1szy 1 21 . C . rr_1szy 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 . G 1 1 rr_1szy 1 . G 2 2 rr_1szy 1 . C 3 3 rr_1szy 1 . A 4 4 rr_1szy 1 . G 5 5 rr_1szy 1 . G 6 6 rr_1szy 1 . G 7 7 rr_1szy 1 . C 8 8 rr_1szy 1 . U 9 9 rr_1szy 1 . C 10 10 rr_1szy 1 . A 11 11 rr_1szy 1 . U 12 12 rr_1szy 1 . A 13 13 rr_1szy 1 . A 14 14 rr_1szy 1 . C 15 15 rr_1szy 1 . C 16 16 rr_1szy 1 . C 17 17 rr_1szy 1 . U 18 18 rr_1szy 1 . G 19 19 rr_1szy 1 . C 20 20 rr_1szy 1 . C 21 21 rr_1szy 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_1szy _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_1szy _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_1szy 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_1szy 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 G C1' C 10.909 9.713 -3.381 . . . 1.0 . . . . . . . . . . . . A . 1 G C1' . . . . . . . . . rr_1szy 1 . 1 . 2 . 1 1 1 G C2 C 13.352 6.242 -2.510 . . . 1.0 . . . . . . . . . . . . A . 1 G C2 . . . . . . . . . rr_1szy 1 . 1 . 3 . 1 1 1 G C2' C 10.085 9.037 -4.478 . . . 1.0 . . . . . . . . . . . . A . 1 G C2' . . . . . . . . . rr_1szy 1 . 1 . 4 . 1 1 1 G C3' C 8.705 9.628 -4.222 . . . 1.0 . . . . . . . . . . . . A . 1 G C3' . . . . . . . . . rr_1szy 1 . 1 . 5 . 1 1 1 G C4 C 11.876 7.814 -2.017 . . . 1.0 . . . . . . . . . . . . A . 1 G C4 . . . . . . . . . rr_1szy 1 . 1 . 6 . 1 1 1 G C4' C 9.034 11.055 -3.812 . . . 1.0 . . . . . . . . . . . . A . 1 G C4' . . . . . . . . . rr_1szy 1 . 1 . 7 . 1 1 1 G C5 C 11.685 7.395 -0.717 . . . 1.0 . . . . . . . . . . . . A . 1 G C5 . . . . . . . . . rr_1szy 1 . 1 . 8 . 1 1 1 G C5' C 7.986 11.743 -2.971 . . . 1.0 . . . . . . . . . . . . A . 1 G C5' . . . . . . . . . rr_1szy 1 . 1 . 9 . 1 1 1 G C6 C 12.416 6.272 -0.246 . . . 1.0 . . . . . . . . . . . . A . 1 G C6 . . . . . . . . . rr_1szy 1 . 1 . 10 . 1 1 1 G C8 C 10.413 9.081 -0.972 . . . 1.0 . . . . . . . . . . . . A . 1 G C8 . . . . . . . . . rr_1szy 1 . 1 . 11 . 1 1 1 G H1 H 13.812 4.951 -0.992 . . . 1.0 . . . . . . . . . . . . A . 1 G H1 . . . . . . . . . rr_1szy 1 . 1 . 12 . 1 1 1 G H1' H 11.907 9.984 -3.728 . . . 1.0 . . . . . . . . . . . . A . 1 G H1' . . . . . . . . . rr_1szy 1 . 1 . 13 . 1 1 1 G H2' H 10.070 7.952 -4.361 . . . 1.0 . . . . . . . . . . . . A . 1 G H2' . . . . . . . . . rr_1szy 1 . 1 . 14 . 1 1 1 G H21 H 14.686 4.784 -2.974 . . . 1.0 . . . . . . . . . . . . A . 1 G H21 . . . . . . . . . rr_1szy 1 . 1 . 15 . 1 1 1 G H22 H 14.305 5.894 -4.276 . . . 1.0 . . . . . . . . . . . . A . 1 G H22 . . . . . . . . . rr_1szy 1 . 1 . 16 . 1 1 1 G H3' H 8.160 9.101 -3.438 . . . 1.0 . . . . . . . . . . . . A . 1 G H3' . . . . . . . . . rr_1szy 1 . 1 . 17 . 1 1 1 G H4' H 9.159 11.630 -4.731 . . . 1.0 . . . . . . . . . . . . A . 1 G H4' . . . . . . . . . rr_1szy 1 . 1 . 18 . 1 1 1 G H5' H 8.435 12.599 -2.468 . . . 1.0 . . . . . . . . . . . . A . 1 G H5' . . . . . . . . . rr_1szy 1 . 1 . 19 . 1 1 1 G H5'' H 7.186 12.095 -3.622 . . . 1.0 . . . . . . . . . . . . A . 1 G H5'' . . . . . . . . . rr_1szy 1 . 1 . 20 . 1 1 1 G H8 H 9.693 9.864 -0.791 . . . 1.0 . . . . . . . . . . . . A . 1 G H8 . . . . . . . . . rr_1szy 1 . 1 . 21 . 1 1 1 G HO2' H 10.335 10.357 -5.864 . . . 1.0 . . . . . . . . . . . . A . 1 G HO2' . . . . . . . . . rr_1szy 1 . 1 . 22 . 1 1 1 G HO5' H 5.500 9.725 -2.464 . . . 1.0 . . . . . . . . . . . . A . 1 G HO5' . . . . . . . . . rr_1szy 1 . 1 . 23 . 1 1 1 G N1 N 13.244 5.751 -1.234 . . . 1.0 . . . . . . . . . . . . A . 1 G N1 . . . . . . . . . rr_1szy 1 . 1 . 24 . 1 1 1 G N2 N 14.184 5.587 -3.321 . . . 1.0 . . . . . . . . . . . . A . 1 G N2 . . . . . . . . . rr_1szy 1 . 1 . 25 . 1 1 1 G N3 N 12.687 7.291 -2.959 . . . 1.0 . . . . . . . . . . . . A . 1 G N3 . . . . . . . . . rr_1szy 1 . 1 . 26 . 1 1 1 G N7 N 10.759 8.203 -0.070 . . . 1.0 . . . . . . . . . . . . A . 1 G N7 . . . . . . . . . rr_1szy 1 . 1 . 27 . 1 1 1 G N9 N 11.055 8.906 -2.174 . . . 1.0 . . . . . . . . . . . . A . 1 G N9 . . . . . . . . . rr_1szy 1 . 1 . 28 . 1 1 1 G O2' O 10.592 9.444 -5.736 . . . 1.0 . . . . . . . . . . . . A . 1 G O2' . . . . . . . . . rr_1szy 1 . 1 . 29 . 1 1 1 G O3' O 7.873 9.603 -5.375 . . . 1.0 . . . . . . . . . . . . A . 1 G O3' . . . . . . . . . rr_1szy 1 . 1 . 30 . 1 1 1 G O4' O 10.254 10.921 -3.036 . . . 1.0 . . . . . . . . . . . . A . 1 G O4' . . . . . . . . . rr_1szy 1 . 1 . 31 . 1 1 1 G O5' O 7.459 10.833 -2.004 . . . 1.0 . . . . . . . . . . . . A . 1 G O5' . . . . . . . . . rr_1szy 1 . 1 . 32 . 1 1 1 G O6 O 12.392 5.751 0.875 . . . 1.0 . . . . . . . . . . . . A . 1 G O6 . . . . . . . . . rr_1szy 1 . 1 . 33 . 1 1 1 G OP1 O 5.813 12.616 -1.381 . . . 1.0 . . . . . . . . . . . . A . 1 G OP1 . . . . . . . . . rr_1szy 1 . 1 . 34 . 1 1 1 G OP2 O 6.356 10.697 0.236 . . . 1.0 . . . . . . . . . . . . A . 1 G OP2 . . . . . . . . . rr_1szy 1 . 1 . 35 . 1 1 1 G OP3 O 5.040 10.290 -1.838 . . . 1.0 . . . . . . . . . . . . A . 1 G OP3 . . . . . . . . . rr_1szy 1 . 1 . 36 . 1 1 1 G P P 6.160 11.190 -1.151 . . . 1.0 . . . . . . . . . . . . A . 1 G P . . . . . . . . . rr_1szy 1 . 1 . 37 . 1 1 2 G C1' C 10.722 4.680 -5.805 . . . 1.0 . . . . . . . . . . . . A . 2 G C1' . . . . . . . . . rr_1szy 1 . 1 . 38 . 1 1 2 G C2 C 12.143 1.774 -2.937 . . . 1.0 . . . . . . . . . . . . A . 2 G C2 . . . . . . . . . rr_1szy 1 . 1 . 39 . 1 1 2 G C2' C 9.814 3.718 -6.574 . . . 1.0 . . . . . . . . . . . . A . 2 G C2' . . . . . . . . . rr_1szy 1 . 1 . 40 . 1 1 2 G C3' C 8.639 4.628 -6.907 . . . 1.0 . . . . . . . . . . . . A . 2 G C3' . . . . . . . . . rr_1szy 1 . 1 . 41 . 1 1 2 G C4 C 11.076 3.613 -3.543 . . . 1.0 . . . . . . . . . . . . A . 2 G C4 . . . . . . . . . rr_1szy 1 . 1 . 42 . 1 1 2 G C4' C 9.341 5.942 -7.214 . . . 1.0 . . . . . . . . . . . . A . 2 G C4' . . . . . . . . . rr_1szy 1 . 1 . 43 . 1 1 2 G C5 C 10.680 3.951 -2.266 . . . 1.0 . . . . . . . . . . . . A . 2 G C5 . . . . . . . . . rr_1szy 1 . 1 . 44 . 1 1 2 G C5' C 8.495 7.193 -7.126 . . . 1.0 . . . . . . . . . . . . A . 2 G C5' . . . . . . . . . rr_1szy 1 . 1 . 45 . 1 1 2 G C6 C 11.065 3.110 -1.187 . . . 1.0 . . . . . . . . . . . . A . 2 G C6 . . . . . . . . . rr_1szy 1 . 1 . 46 . 1 1 2 G C8 C 9.898 5.469 -3.533 . . . 1.0 . . . . . . . . . . . . A . 2 G C8 . . . . . . . . . rr_1szy 1 . 1 . 47 . 1 1 2 G H1 H 12.128 1.363 -0.928 . . . 1.0 . . . . . . . . . . . . A . 2 G H1 . . . . . . . . . rr_1szy 1 . 1 . 48 . 1 1 2 G H1' H 11.775 4.523 -6.040 . . . 1.0 . . . . . . . . . . . . A . 2 G H1' . . . . . . . . . rr_1szy 1 . 1 . 49 . 1 1 2 G H2' H 9.492 2.885 -5.951 . . . 1.0 . . . . . . . . . . . . A . 2 G H2' . . . . . . . . . rr_1szy 1 . 1 . 50 . 1 1 2 G H21 H 13.109 0.065 -2.406 . . . 1.0 . . . . . . . . . . . . A . 2 G H21 . . . . . . . . . rr_1szy 1 . 1 . 51 . 1 1 2 G H22 H 13.111 0.435 -4.118 . . . 1.0 . . . . . . . . . . . . A . 2 G H22 . . . . . . . . . rr_1szy 1 . 1 . 52 . 1 1 2 G H3' H 7.940 4.729 -6.076 . . . 1.0 . . . . . . . . . . . . A . 2 G H3' . . . . . . . . . rr_1szy 1 . 1 . 53 . 1 1 2 G H4' H 9.713 5.870 -8.235 . . . 1.0 . . . . . . . . . . . . A . 2 G H4' . . . . . . . . . rr_1szy 1 . 1 . 54 . 1 1 2 G H5' H 9.150 8.065 -7.088 . . . 1.0 . . . . . . . . . . . . A . 2 G H5' . . . . . . . . . rr_1szy 1 . 1 . 55 . 1 1 2 G H5'' H 7.869 7.259 -8.014 . . . 1.0 . . . . . . . . . . . . A . 2 G H5'' . . . . . . . . . rr_1szy 1 . 1 . 56 . 1 1 2 G H8 H 9.388 6.352 -3.891 . . . 1.0 . . . . . . . . . . . . A . 2 G H8 . . . . . . . . . rr_1szy 1 . 1 . 57 . 1 1 2 G HO2' H 10.558 4.055 -8.325 . . . 1.0 . . . . . . . . . . . . A . 2 G HO2' . . . . . . . . . rr_1szy 1 . 1 . 58 . 1 1 2 G N1 N 11.810 2.021 -1.628 . . . 1.0 . . . . . . . . . . . . A . 2 G N1 . . . . . . . . . rr_1szy 1 . 1 . 59 . 1 1 2 G N2 N 12.847 0.666 -3.171 . . . 1.0 . . . . . . . . . . . . A . 2 G N2 . . . . . . . . . rr_1szy 1 . 1 . 60 . 1 1 2 G N3 N 11.803 2.554 -3.947 . . . 1.0 . . . . . . . . . . . . A . 2 G N3 . . . . . . . . . rr_1szy 1 . 1 . 61 . 1 1 2 G N7 N 9.937 5.124 -2.275 . . . 1.0 . . . . . . . . . . . . A . 2 G N7 . . . . . . . . . rr_1szy 1 . 1 . 62 . 1 1 2 G N9 N 10.568 4.597 -4.355 . . . 1.0 . . . . . . . . . . . . A . 2 G N9 . . . . . . . . . rr_1szy 1 . 1 . 63 . 1 1 2 G O2' O 10.492 3.297 -7.744 . . . 1.0 . . . . . . . . . . . . A . 2 G O2' . . . . . . . . . rr_1szy 1 . 1 . 64 . 1 1 2 G O3' O 7.875 4.160 -8.015 . . . 1.0 . . . . . . . . . . . . A . 2 G O3' . . . . . . . . . rr_1szy 1 . 1 . 65 . 1 1 2 G O4' O 10.397 5.997 -6.219 . . . 1.0 . . . . . . . . . . . . A . 2 G O4' . . . . . . . . . rr_1szy 1 . 1 . 66 . 1 1 2 G O5' O 7.675 7.160 -5.962 . . . 1.0 . . . . . . . . . . . . A . 2 G O5' . . . . . . . . . rr_1szy 1 . 1 . 67 . 1 1 2 G O6 O 10.825 3.243 0.018 . . . 1.0 . . . . . . . . . . . . A . 2 G O6 . . . . . . . . . rr_1szy 1 . 1 . 68 . 1 1 2 G OP1 O 5.917 8.773 -6.702 . . . 1.0 . . . . . . . . . . . . A . 2 G OP1 . . . . . . . . . rr_1szy 1 . 1 . 69 . 1 1 2 G OP2 O 6.193 8.172 -4.222 . . . 1.0 . . . . . . . . . . . . A . 2 G OP2 . . . . . . . . . rr_1szy 1 . 1 . 70 . 1 1 2 G P P 6.795 8.425 -5.556 . . . 1.0 . . . . . . . . . . . . A . 2 G P . . . . . . . . . rr_1szy 1 . 1 . 71 . 1 1 3 C C1' C 9.571 -0.781 -5.595 . . . 1.0 . . . . . . . . . . . . A . 3 C C1' . . . . . . . . . rr_1szy 1 . 1 . 72 . 1 1 3 C C2 C 9.501 -0.717 -3.120 . . . 1.0 . . . . . . . . . . . . A . 3 C C2 . . . . . . . . . rr_1szy 1 . 1 . 73 . 1 1 3 C C2' C 8.551 -1.845 -6.006 . . . 1.0 . . . . . . . . . . . . A . 3 C C2' . . . . . . . . . rr_1szy 1 . 1 . 74 . 1 1 3 C C3' C 7.669 -1.055 -6.966 . . . 1.0 . . . . . . . . . . . . A . 3 C C3' . . . . . . . . . rr_1szy 1 . 1 . 75 . 1 1 3 C C4 C 8.639 1.132 -1.999 . . . 1.0 . . . . . . . . . . . . A . 3 C C4 . . . . . . . . . rr_1szy 1 . 1 . 76 . 1 1 3 C C4' C 8.684 -0.176 -7.681 . . . 1.0 . . . . . . . . . . . . A . 3 C C4' . . . . . . . . . rr_1szy 1 . 1 . 77 . 1 1 3 C C5 C 8.357 1.800 -3.226 . . . 1.0 . . . . . . . . . . . . A . 3 C C5 . . . . . . . . . rr_1szy 1 . 1 . 78 . 1 1 3 C C5' C 8.137 1.086 -8.307 . . . 1.0 . . . . . . . . . . . . A . 3 C C5' . . . . . . . . . rr_1szy 1 . 1 . 79 . 1 1 3 C C6 C 8.672 1.163 -4.361 . . . 1.0 . . . . . . . . . . . . A . 3 C C6 . . . . . . . . . rr_1szy 1 . 1 . 80 . 1 1 3 C H1' H 10.573 -1.197 -5.491 . . . 1.0 . . . . . . . . . . . . A . 3 C H1' . . . . . . . . . rr_1szy 1 . 1 . 81 . 1 1 3 C H2' H 7.972 -2.202 -5.153 . . . 1.0 . . . . . . . . . . . . A . 3 C H2' . . . . . . . . . rr_1szy 1 . 1 . 82 . 1 1 3 C H3' H 6.915 -0.463 -6.450 . . . 1.0 . . . . . . . . . . . . A . 3 C H3' . . . . . . . . . rr_1szy 1 . 1 . 83 . 1 1 3 C H4' H 9.118 -0.779 -8.479 . . . 1.0 . . . . . . . . . . . . A . 3 C H4' . . . . . . . . . rr_1szy 1 . 1 . 84 . 1 1 3 C H41 H 8.565 1.234 0.025 . . . 1.0 . . . . . . . . . . . . A . 3 C H41 . . . . . . . . . rr_1szy 1 . 1 . 85 . 1 1 3 C H42 H 7.948 2.640 -0.802 . . . 1.0 . . . . . . . . . . . . A . 3 C H42 . . . . . . . . . rr_1szy 1 . 1 . 86 . 1 1 3 C H5 H 7.903 2.791 -3.241 . . . 1.0 . . . . . . . . . . . . A . 3 C H5 . . . . . . . . . rr_1szy 1 . 1 . 87 . 1 1 3 C H5' H 8.968 1.724 -8.611 . . . 1.0 . . . . . . . . . . . . A . 3 C H5' . . . . . . . . . rr_1szy 1 . 1 . 88 . 1 1 3 C H5'' H 7.555 0.819 -9.188 . . . 1.0 . . . . . . . . . . . . A . 3 C H5'' . . . . . . . . . rr_1szy 1 . 1 . 89 . 1 1 3 C H6 H 8.479 1.651 -5.315 . . . 1.0 . . . . . . . . . . . . A . 3 C H6 . . . . . . . . . rr_1szy 1 . 1 . 90 . 1 1 3 C HO2' H 9.561 -2.520 -7.501 . . . 1.0 . . . . . . . . . . . . A . 3 C HO2' . . . . . . . . . rr_1szy 1 . 1 . 91 . 1 1 3 C N1 N 9.236 -0.083 -4.340 . . . 1.0 . . . . . . . . . . . . A . 3 C N1 . . . . . . . . . rr_1szy 1 . 1 . 92 . 1 1 3 C N3 N 9.190 -0.084 -1.966 . . . 1.0 . . . . . . . . . . . . A . 3 C N3 . . . . . . . . . rr_1szy 1 . 1 . 93 . 1 1 3 C N4 N 8.360 1.720 -0.835 . . . 1.0 . . . . . . . . . . . . A . 3 C N4 . . . . . . . . . rr_1szy 1 . 1 . 94 . 1 1 3 C O2 O 10.015 -1.845 -3.126 . . . 1.0 . . . . . . . . . . . . A . 3 C O2 . . . . . . . . . rr_1szy 1 . 1 . 95 . 1 1 3 C O2' O 9.237 -2.885 -6.678 . . . 1.0 . . . . . . . . . . . . A . 3 C O2' . . . . . . . . . rr_1szy 1 . 1 . 96 . 1 1 3 C O3' O 6.963 -1.891 -7.878 . . . 1.0 . . . . . . . . . . . . A . 3 C O3' . . . . . . . . . rr_1szy 1 . 1 . 97 . 1 1 3 C O4' O 9.633 0.176 -6.640 . . . 1.0 . . . . . . . . . . . . A . 3 C O4' . . . . . . . . . rr_1szy 1 . 1 . 98 . 1 1 3 C O5' O 7.312 1.782 -7.376 . . . 1.0 . . . . . . . . . . . . A . 3 C O5' . . . . . . . . . rr_1szy 1 . 1 . 99 . 1 1 3 C OP1 O 5.941 2.993 -9.069 . . . 1.0 . . . . . . . . . . . . A . 3 C OP1 . . . . . . . . . rr_1szy 1 . 1 . 100 . 1 1 3 C OP2 O 5.867 3.659 -6.591 . . . 1.0 . . . . . . . . . . . . A . 3 C OP2 . . . . . . . . . rr_1szy 1 . 1 . 101 . 1 1 3 C P P 6.632 3.169 -7.766 . . . 1.0 . . . . . . . . . . . . A . 3 C P . . . . . . . . . rr_1szy 1 . 1 . 102 . 1 1 4 A C1' C 7.039 -5.191 -3.206 . . . 1.0 . . . . . . . . . . . . A . 4 A C1' . . . . . . . . . rr_1szy 1 . 1 . 103 . 1 1 4 A C2 C 6.571 -4.252 1.021 . . . 1.0 . . . . . . . . . . . . A . 4 A C2 . . . . . . . . . rr_1szy 1 . 1 . 104 . 1 1 4 A C2' C 5.837 -6.131 -3.321 . . . 1.0 . . . . . . . . . . . . A . 4 A C2' . . . . . . . . . rr_1szy 1 . 1 . 105 . 1 1 4 A C3' C 5.308 -5.770 -4.704 . . . 1.0 . . . . . . . . . . . . A . 4 A C3' . . . . . . . . . rr_1szy 1 . 1 . 106 . 1 1 4 A C4 C 6.628 -3.803 -1.132 . . . 1.0 . . . . . . . . . . . . A . 4 A C4 . . . . . . . . . rr_1szy 1 . 1 . 107 . 1 1 4 A C4' C 6.591 -5.526 -5.483 . . . 1.0 . . . . . . . . . . . . A . 4 A C4' . . . . . . . . . rr_1szy 1 . 1 . 108 . 1 1 4 A C5 C 6.346 -2.466 -0.919 . . . 1.0 . . . . . . . . . . . . A . 4 A C5 . . . . . . . . . rr_1szy 1 . 1 . 109 . 1 1 4 A C5' C 6.459 -4.663 -6.717 . . . 1.0 . . . . . . . . . . . . A . 4 A C5' . . . . . . . . . rr_1szy 1 . 1 . 110 . 1 1 4 A C6 C 6.183 -2.054 0.415 . . . 1.0 . . . . . . . . . . . . A . 4 A C6 . . . . . . . . . rr_1szy 1 . 1 . 111 . 1 1 4 A C8 C 6.531 -2.699 -3.023 . . . 1.0 . . . . . . . . . . . . A . 4 A C8 . . . . . . . . . rr_1szy 1 . 1 . 112 . 1 1 4 A H1' H 7.887 -5.668 -2.713 . . . 1.0 . . . . . . . . . . . . A . 4 A H1' . . . . . . . . . rr_1szy 1 . 1 . 113 . 1 1 4 A H2 H 6.644 -4.967 1.840 . . . 1.0 . . . . . . . . . . . . A . 4 A H2 . . . . . . . . . rr_1szy 1 . 1 . 114 . 1 1 4 A H2' H 5.089 -5.923 -2.555 . . . 1.0 . . . . . . . . . . . . A . 4 A H2' . . . . . . . . . rr_1szy 1 . 1 . 115 . 1 1 4 A H3' H 4.670 -4.887 -4.690 . . . 1.0 . . . . . . . . . . . . A . 4 A H3' . . . . . . . . . rr_1szy 1 . 1 . 116 . 1 1 4 A H4' H 6.958 -6.502 -5.800 . . . 1.0 . . . . . . . . . . . . A . 4 A H4' . . . . . . . . . rr_1szy 1 . 1 . 117 . 1 1 4 A H5' H 7.453 -4.360 -7.049 . . . 1.0 . . . . . . . . . . . . A . 4 A H5' . . . . . . . . . rr_1szy 1 . 1 . 118 . 1 1 4 A H5'' H 5.984 -5.245 -7.505 . . . 1.0 . . . . . . . . . . . . A . 4 A H5'' . . . . . . . . . rr_1szy 1 . 1 . 119 . 1 1 4 A H61 H 5.825 -0.559 1.749 . . . 1.0 . . . . . . . . . . . . A . 4 A H61 . . . . . . . . . rr_1szy 1 . 1 . 120 . 1 1 4 A H62 H 5.836 -0.082 0.066 . . . 1.0 . . . . . . . . . . . . A . 4 A H62 . . . . . . . . . rr_1szy 1 . 1 . 121 . 1 1 4 A H8 H 6.563 -2.494 -4.084 . . . 1.0 . . . . . . . . . . . . A . 4 A H8 . . . . . . . . . rr_1szy 1 . 1 . 122 . 1 1 4 A HO2' H 6.955 -7.557 -3.979 . . . 1.0 . . . . . . . . . . . . A . 4 A HO2' . . . . . . . . . rr_1szy 1 . 1 . 123 . 1 1 4 A N1 N 6.300 -2.991 1.382 . . . 1.0 . . . . . . . . . . . . A . 4 A N1 . . . . . . . . . rr_1szy 1 . 1 . 124 . 1 1 4 A N3 N 6.758 -4.758 -0.196 . . . 1.0 . . . . . . . . . . . . A . 4 A N3 . . . . . . . . . rr_1szy 1 . 1 . 125 . 1 1 4 A N6 N 5.924 -0.797 0.773 . . . 1.0 . . . . . . . . . . . . A . 4 A N6 . . . . . . . . . rr_1szy 1 . 1 . 126 . 1 1 4 A N7 N 6.288 -1.779 -2.123 . . . 1.0 . . . . . . . . . . . . A . 4 A N7 . . . . . . . . . rr_1szy 1 . 1 . 127 . 1 1 4 A N9 N 6.745 -3.948 -2.494 . . . 1.0 . . . . . . . . . . . . A . 4 A N9 . . . . . . . . . rr_1szy 1 . 1 . 128 . 1 1 4 A O2' O 6.307 -7.466 -3.280 . . . 1.0 . . . . . . . . . . . . A . 4 A O2' . . . . . . . . . rr_1szy 1 . 1 . 129 . 1 1 4 A O3' O 4.532 -6.813 -5.288 . . . 1.0 . . . . . . . . . . . . A . 4 A O3' . . . . . . . . . rr_1szy 1 . 1 . 130 . 1 1 4 A O4' O 7.456 -4.866 -4.521 . . . 1.0 . . . . . . . . . . . . A . 4 A O4' . . . . . . . . . rr_1szy 1 . 1 . 131 . 1 1 4 A O5' O 5.675 -3.507 -6.431 . . . 1.0 . . . . . . . . . . . . A . 4 A O5' . . . . . . . . . rr_1szy 1 . 1 . 132 . 1 1 4 A OP1 O 4.885 -2.992 -8.745 . . . 1.0 . . . . . . . . . . . . A . 4 A OP1 . . . . . . . . . rr_1szy 1 . 1 . 133 . 1 1 4 A OP2 O 4.771 -1.228 -6.884 . . . 1.0 . . . . . . . . . . . . A . 4 A OP2 . . . . . . . . . rr_1szy 1 . 1 . 134 . 1 1 4 A P P 5.468 -2.369 -7.528 . . . 1.0 . . . . . . . . . . . . A . 4 A P . . . . . . . . . rr_1szy 1 . 1 . 135 . 1 1 5 G C1' C 3.322 -7.283 0.289 . . . 1.0 . . . . . . . . . . . . A . 5 G C1' . . . . . . . . . rr_1szy 1 . 1 . 136 . 1 1 5 G C2 C 2.549 -4.441 3.475 . . . 1.0 . . . . . . . . . . . . A . 5 G C2 . . . . . . . . . rr_1szy 1 . 1 . 137 . 1 1 5 G C2' C 1.970 -7.996 0.366 . . . 1.0 . . . . . . . . . . . . A . 5 G C2' . . . . . . . . . rr_1szy 1 . 1 . 138 . 1 1 5 G C3' C 1.705 -8.288 -1.107 . . . 1.0 . . . . . . . . . . . . A . 5 G C3' . . . . . . . . . rr_1szy 1 . 1 . 139 . 1 1 5 G C4 C 2.972 -5.025 1.383 . . . 1.0 . . . . . . . . . . . . A . 5 G C4 . . . . . . . . . rr_1szy 1 . 1 . 140 . 1 1 5 G C4' C 3.095 -8.631 -1.616 . . . 1.0 . . . . . . . . . . . . A . 5 G C4' . . . . . . . . . rr_1szy 1 . 1 . 141 . 1 1 5 G C5 C 2.975 -3.734 0.898 . . . 1.0 . . . . . . . . . . . . A . 5 G C5 . . . . . . . . . rr_1szy 1 . 1 . 142 . 1 1 5 G C5' C 3.302 -8.500 -3.108 . . . 1.0 . . . . . . . . . . . . A . 5 G C5' . . . . . . . . . rr_1szy 1 . 1 . 143 . 1 1 5 G C6 C 2.747 -2.662 1.802 . . . 1.0 . . . . . . . . . . . . A . 5 G C6 . . . . . . . . . rr_1szy 1 . 1 . 144 . 1 1 5 G C8 C 3.363 -4.980 -0.782 . . . 1.0 . . . . . . . . . . . . A . 5 G C8 . . . . . . . . . rr_1szy 1 . 1 . 145 . 1 1 5 G H1 H 2.367 -2.427 3.812 . . . 1.0 . . . . . . . . . . . . A . 5 G H1 . . . . . . . . . rr_1szy 1 . 1 . 146 . 1 1 5 G H1' H 3.984 -7.576 1.103 . . . 1.0 . . . . . . . . . . . . A . 5 G H1' . . . . . . . . . rr_1szy 1 . 1 . 147 . 1 1 5 G H2' H 1.196 -7.348 0.777 . . . 1.0 . . . . . . . . . . . . A . 5 G H2' . . . . . . . . . rr_1szy 1 . 1 . 148 . 1 1 5 G H21 H 2.143 -3.927 5.409 . . . 1.0 . . . . . . . . . . . . A . 5 G H21 . . . . . . . . . rr_1szy 1 . 1 . 149 . 1 1 5 G H22 H 2.305 -5.644 5.088 . . . 1.0 . . . . . . . . . . . . A . 5 G H22 . . . . . . . . . rr_1szy 1 . 1 . 150 . 1 1 5 G H3' H 1.283 -7.433 -1.634 . . . 1.0 . . . . . . . . . . . . A . 5 G H3' . . . . . . . . . rr_1szy 1 . 1 . 151 . 1 1 5 G H4' H 3.283 -9.670 -1.346 . . . 1.0 . . . . . . . . . . . . A . 5 G H4' . . . . . . . . . rr_1szy 1 . 1 . 152 . 1 1 5 G H5' H 4.371 -8.515 -3.324 . . . 1.0 . . . . . . . . . . . . A . 5 G H5' . . . . . . . . . rr_1szy 1 . 1 . 153 . 1 1 5 G H5'' H 2.831 -9.347 -3.605 . . . 1.0 . . . . . . . . . . . . A . 5 G H5'' . . . . . . . . . rr_1szy 1 . 1 . 154 . 1 1 5 G H8 H 3.573 -5.323 -1.784 . . . 1.0 . . . . . . . . . . . . A . 5 G H8 . . . . . . . . . rr_1szy 1 . 1 . 155 . 1 1 5 G HO2' H 2.659 -9.786 0.570 . . . 1.0 . . . . . . . . . . . . A . 5 G HO2' . . . . . . . . . rr_1szy 1 . 1 . 156 . 1 1 5 G N1 N 2.538 -3.122 3.098 . . . 1.0 . . . . . . . . . . . . A . 5 G N1 . . . . . . . . . rr_1szy 1 . 1 . 157 . 1 1 5 G N2 N 2.312 -4.687 4.766 . . . 1.0 . . . . . . . . . . . . A . 5 G N2 . . . . . . . . . rr_1szy 1 . 1 . 158 . 1 1 5 G N3 N 2.770 -5.448 2.647 . . . 1.0 . . . . . . . . . . . . A . 5 G N3 . . . . . . . . . rr_1szy 1 . 1 . 159 . 1 1 5 G N7 N 3.222 -3.721 -0.469 . . . 1.0 . . . . . . . . . . . . A . 5 G N7 . . . . . . . . . rr_1szy 1 . 1 . 160 . 1 1 5 G N9 N 3.223 -5.825 0.293 . . . 1.0 . . . . . . . . . . . . A . 5 G N9 . . . . . . . . . rr_1szy 1 . 1 . 161 . 1 1 5 G O2' O 2.136 -9.191 1.107 . . . 1.0 . . . . . . . . . . . . A . 5 G O2' . . . . . . . . . rr_1szy 1 . 1 . 162 . 1 1 5 G O3' O 0.795 -9.366 -1.301 . . . 1.0 . . . . . . . . . . . . A . 5 G O3' . . . . . . . . . rr_1szy 1 . 1 . 163 . 1 1 5 G O4' O 3.949 -7.686 -0.918 . . . 1.0 . . . . . . . . . . . . A . 5 G O4' . . . . . . . . . rr_1szy 1 . 1 . 164 . 1 1 5 G O5' O 2.731 -7.283 -3.585 . . . 1.0 . . . . . . . . . . . . A . 5 G O5' . . . . . . . . . rr_1szy 1 . 1 . 165 . 1 1 5 G O6 O 2.721 -1.449 1.569 . . . 1.0 . . . . . . . . . . . . A . 5 G O6 . . . . . . . . . rr_1szy 1 . 1 . 166 . 1 1 5 G OP1 O 2.395 -7.889 -5.982 . . . 1.0 . . . . . . . . . . . . A . 5 G OP1 . . . . . . . . . rr_1szy 1 . 1 . 167 . 1 1 5 G OP2 O 2.435 -5.433 -5.237 . . . 1.0 . . . . . . . . . . . . A . 5 G OP2 . . . . . . . . . rr_1szy 1 . 1 . 168 . 1 1 5 G P P 2.935 -6.824 -5.098 . . . 1.0 . . . . . . . . . . . . A . 5 G P . . . . . . . . . rr_1szy 1 . 1 . 169 . 1 1 6 G C1' C -1.201 -6.920 3.463 . . . 1.0 . . . . . . . . . . . . A . 6 G C1' . . . . . . . . . rr_1szy 1 . 1 . 170 . 1 1 6 G C2 C -1.599 -2.798 4.754 . . . 1.0 . . . . . . . . . . . . A . 6 G C2 . . . . . . . . . rr_1szy 1 . 1 . 171 . 1 1 6 G C2' C -2.687 -7.272 3.558 . . . 1.0 . . . . . . . . . . . . A . 6 G C2' . . . . . . . . . rr_1szy 1 . 1 . 172 . 1 1 6 G C3' C -2.853 -8.177 2.344 . . . 1.0 . . . . . . . . . . . . A . 6 G C3' . . . . . . . . . rr_1szy 1 . 1 . 173 . 1 1 6 G C4 C -1.104 -4.394 3.304 . . . 1.0 . . . . . . . . . . . . A . 6 G C4 . . . . . . . . . rr_1szy 1 . 1 . 174 . 1 1 6 G C4' C -1.551 -8.961 2.363 . . . 1.0 . . . . . . . . . . . . A . 6 G C4' . . . . . . . . . rr_1szy 1 . 1 . 175 . 1 1 6 G C5 C -0.737 -3.528 2.295 . . . 1.0 . . . . . . . . . . . . A . 6 G C5 . . . . . . . . . rr_1szy 1 . 1 . 176 . 1 1 6 G C5' C -1.144 -9.609 1.059 . . . 1.0 . . . . . . . . . . . . A . 6 G C5' . . . . . . . . . rr_1szy 1 . 1 . 177 . 1 1 6 G C6 C -0.801 -2.131 2.536 . . . 1.0 . . . . . . . . . . . . A . 6 G C6 . . . . . . . . . rr_1szy 1 . 1 . 178 . 1 1 6 G C8 C -0.479 -5.482 1.499 . . . 1.0 . . . . . . . . . . . . A . 6 G C8 . . . . . . . . . rr_1szy 1 . 1 . 179 . 1 1 6 G H1 H -1.333 -0.880 4.083 . . . 1.0 . . . . . . . . . . . . A . 6 G H1 . . . . . . . . . rr_1szy 1 . 1 . 180 . 1 1 6 G H1' H -0.728 -6.879 4.445 . . . 1.0 . . . . . . . . . . . . A . 6 G H1' . . . . . . . . . rr_1szy 1 . 1 . 181 . 1 1 6 G H2' H -3.317 -6.387 3.471 . . . 1.0 . . . . . . . . . . . . A . 6 G H2' . . . . . . . . . rr_1szy 1 . 1 . 182 . 1 1 6 G H21 H -2.076 -1.340 6.087 . . . 1.0 . . . . . . . . . . . . A . 6 G H21 . . . . . . . . . rr_1szy 1 . 1 . 183 . 1 1 6 G H22 H -2.292 -2.986 6.653 . . . 1.0 . . . . . . . . . . . . A . 6 G H22 . . . . . . . . . rr_1szy 1 . 1 . 184 . 1 1 6 G H3' H -2.972 -7.616 1.417 . . . 1.0 . . . . . . . . . . . . A . 6 G H3' . . . . . . . . . rr_1szy 1 . 1 . 185 . 1 1 6 G H4' H -1.669 -9.754 3.102 . . . 1.0 . . . . . . . . . . . . A . 6 G H4' . . . . . . . . . rr_1szy 1 . 1 . 186 . 1 1 6 G H5' H -0.111 -9.949 1.135 . . . 1.0 . . . . . . . . . . . . A . 6 G H5' . . . . . . . . . rr_1szy 1 . 1 . 187 . 1 1 6 G H5'' H -1.787 -10.470 0.877 . . . 1.0 . . . . . . . . . . . . A . 6 G H5'' . . . . . . . . . rr_1szy 1 . 1 . 188 . 1 1 6 G H8 H -0.249 -6.301 0.836 . . . 1.0 . . . . . . . . . . . . A . 6 G H8 . . . . . . . . . rr_1szy 1 . 1 . 189 . 1 1 6 G HO2' H -2.333 -8.752 4.741 . . . 1.0 . . . . . . . . . . . . A . 6 G HO2' . . . . . . . . . rr_1szy 1 . 1 . 190 . 1 1 6 G N1 N -1.254 -1.853 3.821 . . . 1.0 . . . . . . . . . . . . A . 6 G N1 . . . . . . . . . rr_1szy 1 . 1 . 191 . 1 1 6 G N2 N -2.022 -2.335 5.930 . . . 1.0 . . . . . . . . . . . . A . 6 G N2 . . . . . . . . . rr_1szy 1 . 1 . 192 . 1 1 6 G N3 N -1.537 -4.102 4.547 . . . 1.0 . . . . . . . . . . . . A . 6 G N3 . . . . . . . . . rr_1szy 1 . 1 . 193 . 1 1 6 G N7 N -0.345 -4.229 1.163 . . . 1.0 . . . . . . . . . . . . A . 6 G N7 . . . . . . . . . rr_1szy 1 . 1 . 194 . 1 1 6 G N9 N -0.937 -5.655 2.782 . . . 1.0 . . . . . . . . . . . . A . 6 G N9 . . . . . . . . . rr_1szy 1 . 1 . 195 . 1 1 6 G O2' O -2.902 -7.982 4.764 . . . 1.0 . . . . . . . . . . . . A . 6 G O2' . . . . . . . . . rr_1szy 1 . 1 . 196 . 1 1 6 G O3' O -3.990 -9.032 2.439 . . . 1.0 . . . . . . . . . . . . A . 6 G O3' . . . . . . . . . rr_1szy 1 . 1 . 197 . 1 1 6 G O4' O -0.565 -7.962 2.740 . . . 1.0 . . . . . . . . . . . . A . 6 G O4' . . . . . . . . . rr_1szy 1 . 1 . 198 . 1 1 6 G O5' O -1.266 -8.681 -0.016 . . . 1.0 . . . . . . . . . . . . A . 6 G O5' . . . . . . . . . rr_1szy 1 . 1 . 199 . 1 1 6 G O6 O -0.511 -1.203 1.773 . . . 1.0 . . . . . . . . . . . . A . 6 G O6 . . . . . . . . . rr_1szy 1 . 1 . 200 . 1 1 6 G OP1 O -1.426 -10.341 -1.872 . . . 1.0 . . . . . . . . . . . . A . 6 G OP1 . . . . . . . . . rr_1szy 1 . 1 . 201 . 1 1 6 G OP2 O -0.926 -7.868 -2.354 . . . 1.0 . . . . . . . . . . . . A . 6 G OP2 . . . . . . . . . rr_1szy 1 . 1 . 202 . 1 1 6 G P P -0.774 -9.063 -1.484 . . . 1.0 . . . . . . . . . . . . A . 6 G P . . . . . . . . . rr_1szy 1 . 1 . 203 . 1 1 7 G C1' C -5.735 -4.300 5.176 . . . 1.0 . . . . . . . . . . . . A . 7 G C1' . . . . . . . . . rr_1szy 1 . 1 . 204 . 1 1 7 G C2 C -5.427 -0.087 4.231 . . . 1.0 . . . . . . . . . . . . A . 7 G C2 . . . . . . . . . rr_1szy 1 . 1 . 205 . 1 1 7 G C2' C -7.264 -4.340 5.200 . . . 1.0 . . . . . . . . . . . . A . 7 G C2' . . . . . . . . . rr_1szy 1 . 1 . 206 . 1 1 7 G C3' C -7.549 -5.734 4.649 . . . 1.0 . . . . . . . . . . . . A . 7 G C3' . . . . . . . . . rr_1szy 1 . 1 . 207 . 1 1 7 G C4 C -5.135 -2.242 3.834 . . . 1.0 . . . . . . . . . . . . A . 7 G C4 . . . . . . . . . rr_1szy 1 . 1 . 208 . 1 1 7 G C4' C -6.383 -6.551 5.183 . . . 1.0 . . . . . . . . . . . . A . 7 G C4' . . . . . . . . . rr_1szy 1 . 1 . 209 . 1 1 7 G C5 C -4.510 -2.057 2.619 . . . 1.0 . . . . . . . . . . . . A . 7 G C5 . . . . . . . . . rr_1szy 1 . 1 . 210 . 1 1 7 G C5' C -6.029 -7.775 4.374 . . . 1.0 . . . . . . . . . . . . A . 7 G C5' . . . . . . . . . rr_1szy 1 . 1 . 211 . 1 1 7 G C6 C -4.307 -0.733 2.149 . . . 1.0 . . . . . . . . . . . . A . 7 G C6 . . . . . . . . . rr_1szy 1 . 1 . 212 . 1 1 7 G C8 C -4.587 -4.162 2.913 . . . 1.0 . . . . . . . . . . . . A . 7 G C8 . . . . . . . . . rr_1szy 1 . 1 . 213 . 1 1 7 G H1 H -4.699 1.182 2.798 . . . 1.0 . . . . . . . . . . . . A . 7 G H1 . . . . . . . . . rr_1szy 1 . 1 . 214 . 1 1 7 G H1' H -5.329 -3.832 6.073 . . . 1.0 . . . . . . . . . . . . A . 7 G H1' . . . . . . . . . rr_1szy 1 . 1 . 215 . 1 1 7 G H2' H -7.698 -3.575 4.553 . . . 1.0 . . . . . . . . . . . . A . 7 G H2' . . . . . . . . . rr_1szy 1 . 1 . 216 . 1 1 7 G H21 H -5.740 1.888 4.592 . . . 1.0 . . . . . . . . . . . . A . 7 G H21 . . . . . . . . . rr_1szy 1 . 1 . 217 . 1 1 7 G H22 H -6.336 0.790 5.821 . . . 1.0 . . . . . . . . . . . . A . 7 G H22 . . . . . . . . . rr_1szy 1 . 1 . 218 . 1 1 7 G H3' H -7.594 -5.757 3.560 . . . 1.0 . . . . . . . . . . . . A . 7 G H3' . . . . . . . . . rr_1szy 1 . 1 . 219 . 1 1 7 G H4' H -6.659 -6.882 6.185 . . . 1.0 . . . . . . . . . . . . A . 7 G H4' . . . . . . . . . rr_1szy 1 . 1 . 220 . 1 1 7 G H5' H -5.111 -8.212 4.770 . . . 1.0 . . . . . . . . . . . . A . 7 G H5' . . . . . . . . . rr_1szy 1 . 1 . 221 . 1 1 7 G H5'' H -6.834 -8.502 4.462 . . . 1.0 . . . . . . . . . . . . A . 7 G H5'' . . . . . . . . . rr_1szy 1 . 1 . 222 . 1 1 7 G H8 H -4.481 -5.226 2.770 . . . 1.0 . . . . . . . . . . . . A . 7 G H8 . . . . . . . . . rr_1szy 1 . 1 . 223 . 1 1 7 G HO2' H -7.511 -5.069 6.968 . . . 1.0 . . . . . . . . . . . . A . 7 G HO2' . . . . . . . . . rr_1szy 1 . 1 . 224 . 1 1 7 G N1 N -4.806 0.208 3.043 . . . 1.0 . . . . . . . . . . . . A . 7 G N1 . . . . . . . . . rr_1szy 1 . 1 . 225 . 1 1 7 G N2 N -5.865 0.951 4.942 . . . 1.0 . . . . . . . . . . . . A . 7 G N2 . . . . . . . . . rr_1szy 1 . 1 . 226 . 1 1 7 G N3 N -5.612 -1.313 4.685 . . . 1.0 . . . . . . . . . . . . A . 7 G N3 . . . . . . . . . rr_1szy 1 . 1 . 227 . 1 1 7 G N7 N -4.170 -3.277 2.049 . . . 1.0 . . . . . . . . . . . . A . 7 G N7 . . . . . . . . . rr_1szy 1 . 1 . 228 . 1 1 7 G N9 N -5.178 -3.602 4.020 . . . 1.0 . . . . . . . . . . . . A . 7 G N9 . . . . . . . . . rr_1szy 1 . 1 . 229 . 1 1 7 G O2' O -7.692 -4.227 6.545 . . . 1.0 . . . . . . . . . . . . A . 7 G O2' . . . . . . . . . rr_1szy 1 . 1 . 230 . 1 1 7 G O3' O -8.791 -6.256 5.110 . . . 1.0 . . . . . . . . . . . . A . 7 G O3' . . . . . . . . . rr_1szy 1 . 1 . 231 . 1 1 7 G O4' O -5.260 -5.633 5.162 . . . 1.0 . . . . . . . . . . . . A . 7 G O4' . . . . . . . . . rr_1szy 1 . 1 . 232 . 1 1 7 G O5' O -5.843 -7.421 3.005 . . . 1.0 . . . . . . . . . . . . A . 7 G O5' . . . . . . . . . rr_1szy 1 . 1 . 233 . 1 1 7 G O6 O -3.768 -0.360 1.101 . . . 1.0 . . . . . . . . . . . . A . 7 G O6 . . . . . . . . . rr_1szy 1 . 1 . 234 . 1 1 7 G OP1 O -6.390 -9.639 2.005 . . . 1.0 . . . . . . . . . . . . A . 7 G OP1 . . . . . . . . . rr_1szy 1 . 1 . 235 . 1 1 7 G OP2 O -5.214 -7.821 0.628 . . . 1.0 . . . . . . . . . . . . A . 7 G OP2 . . . . . . . . . rr_1szy 1 . 1 . 236 . 1 1 7 G P P -5.424 -8.514 1.925 . . . 1.0 . . . . . . . . . . . . A . 7 G P . . . . . . . . . rr_1szy 1 . 1 . 237 . 1 1 8 C C1' C -10.304 -0.941 3.158 . . . 1.0 . . . . . . . . . . . . A . 8 C C1' . . . . . . . . . rr_1szy 1 . 1 . 238 . 1 1 8 C C2 C -9.287 -0.948 0.901 . . . 1.0 . . . . . . . . . . . . A . 8 C C2 . . . . . . . . . rr_1szy 1 . 1 . 239 . 1 1 8 C C2' C -11.809 -1.065 2.930 . . . 1.0 . . . . . . . . . . . . A . 8 C C2' . . . . . . . . . rr_1szy 1 . 1 . 240 . 1 1 8 C C3' C -12.123 -2.362 3.670 . . . 1.0 . . . . . . . . . . . . A . 8 C C3' . . . . . . . . . rr_1szy 1 . 1 . 241 . 1 1 8 C C4 C -7.977 -2.735 0.192 . . . 1.0 . . . . . . . . . . . . A . 8 C C4 . . . . . . . . . rr_1szy 1 . 1 . 242 . 1 1 8 C C4' C -11.147 -2.347 4.841 . . . 1.0 . . . . . . . . . . . . A . 8 C C4' . . . . . . . . . rr_1szy 1 . 1 . 243 . 1 1 8 C C5 C -8.157 -3.415 1.431 . . . 1.0 . . . . . . . . . . . . A . 8 C C5 . . . . . . . . . rr_1szy 1 . 1 . 244 . 1 1 8 C C5' C -10.640 -3.706 5.267 . . . 1.0 . . . . . . . . . . . . A . 8 C C5' . . . . . . . . . rr_1szy 1 . 1 . 245 . 1 1 8 C C6 C -8.913 -2.817 2.357 . . . 1.0 . . . . . . . . . . . . A . 8 C C6 . . . . . . . . . rr_1szy 1 . 1 . 246 . 1 1 8 C H1' H -9.986 0.099 3.230 . . . 1.0 . . . . . . . . . . . . A . 8 C H1' . . . . . . . . . rr_1szy 1 . 1 . 247 . 1 1 8 C H2' H -12.049 -1.160 1.869 . . . 1.0 . . . . . . . . . . . . A . 8 C H2' . . . . . . . . . rr_1szy 1 . 1 . 248 . 1 1 8 C H3' H -11.993 -3.244 3.046 . . . 1.0 . . . . . . . . . . . . A . 8 C H3' . . . . . . . . . rr_1szy 1 . 1 . 249 . 1 1 8 C H4' H -11.683 -1.918 5.689 . . . 1.0 . . . . . . . . . . . . A . 8 C H4' . . . . . . . . . rr_1szy 1 . 1 . 250 . 1 1 8 C H41 H -7.119 -2.797 -1.649 . . . 1.0 . . . . . . . . . . . . A . 8 C H41 . . . . . . . . . rr_1szy 1 . 1 . 251 . 1 1 8 C H42 H -6.804 -4.185 -0.628 . . . 1.0 . . . . . . . . . . . . A . 8 C H42 . . . . . . . . . rr_1szy 1 . 1 . 252 . 1 1 8 C H5 H -7.692 -4.382 1.621 . . . 1.0 . . . . . . . . . . . . A . 8 C H5 . . . . . . . . . rr_1szy 1 . 1 . 253 . 1 1 8 C H5' H -9.763 -3.579 5.903 . . . 1.0 . . . . . . . . . . . . A . 8 C H5' . . . . . . . . . rr_1szy 1 . 1 . 254 . 1 1 8 C H5'' H -11.419 -4.211 5.836 . . . 1.0 . . . . . . . . . . . . A . 8 C H5'' . . . . . . . . . rr_1szy 1 . 1 . 255 . 1 1 8 C H6 H -9.081 -3.315 3.310 . . . 1.0 . . . . . . . . . . . . A . 8 C H6 . . . . . . . . . rr_1szy 1 . 1 . 256 . 1 1 8 C HO2' H -12.996 -0.315 4.244 . . . 1.0 . . . . . . . . . . . . A . 8 C HO2' . . . . . . . . . rr_1szy 1 . 1 . 257 . 1 1 8 C N1 N -9.482 -1.596 2.125 . . . 1.0 . . . . . . . . . . . . A . 8 C N1 . . . . . . . . . rr_1szy 1 . 1 . 258 . 1 1 8 C N3 N -8.531 -1.544 -0.048 . . . 1.0 . . . . . . . . . . . . A . 8 C N3 . . . . . . . . . rr_1szy 1 . 1 . 259 . 1 1 8 C N4 N -7.239 -3.285 -0.773 . . . 1.0 . . . . . . . . . . . . A . 8 C N4 . . . . . . . . . rr_1szy 1 . 1 . 260 . 1 1 8 C O2 O -9.814 0.160 0.715 . . . 1.0 . . . . . . . . . . . . A . 8 C O2 . . . . . . . . . rr_1szy 1 . 1 . 261 . 1 1 8 C O2' O -12.452 0.038 3.538 . . . 1.0 . . . . . . . . . . . . A . 8 C O2' . . . . . . . . . rr_1szy 1 . 1 . 262 . 1 1 8 C O3' O -13.467 -2.402 4.140 . . . 1.0 . . . . . . . . . . . . A . 8 C O3' . . . . . . . . . rr_1szy 1 . 1 . 263 . 1 1 8 C O4' O -10.015 -1.546 4.403 . . . 1.0 . . . . . . . . . . . . A . 8 C O4' . . . . . . . . . rr_1szy 1 . 1 . 264 . 1 1 8 C O5' O -10.295 -4.485 4.121 . . . 1.0 . . . . . . . . . . . . A . 8 C O5' . . . . . . . . . rr_1szy 1 . 1 . 265 . 1 1 8 C OP1 O -11.265 -6.619 4.990 . . . 1.0 . . . . . . . . . . . . A . 8 C OP1 . . . . . . . . . rr_1szy 1 . 1 . 266 . 1 1 8 C OP2 O -9.826 -6.585 2.863 . . . 1.0 . . . . . . . . . . . . A . 8 C OP2 . . . . . . . . . rr_1szy 1 . 1 . 267 . 1 1 8 C P P -10.118 -6.066 4.223 . . . 1.0 . . . . . . . . . . . . A . 8 C P . . . . . . . . . rr_1szy 1 . 1 . 268 . 1 1 9 U C1' C -14.070 -1.546 -1.236 . . . 1.0 . . . . . . . . . . . . A . 9 U C1' . . . . . . . . . rr_1szy 1 . 1 . 269 . 1 1 9 U C2 C -12.598 -2.886 -2.650 . . . 1.0 . . . . . . . . . . . . A . 9 U C2 . . . . . . . . . rr_1szy 1 . 1 . 270 . 1 1 9 U C2' C -15.480 -2.013 -1.605 . . . 1.0 . . . . . . . . . . . . A . 9 U C2' . . . . . . . . . rr_1szy 1 . 1 . 271 . 1 1 9 U C3' C -16.096 -2.271 -0.233 . . . 1.0 . . . . . . . . . . . . A . 9 U C3' . . . . . . . . . rr_1szy 1 . 1 . 272 . 1 1 9 U C4 C -11.077 -4.548 -1.662 . . . 1.0 . . . . . . . . . . . . A . 9 U C4 . . . . . . . . . rr_1szy 1 . 1 . 273 . 1 1 9 U C4' C -15.426 -1.227 0.647 . . . 1.0 . . . . . . . . . . . . A . 9 U C4' . . . . . . . . . rr_1szy 1 . 1 . 274 . 1 1 9 U C5 C -11.592 -4.188 -0.379 . . . 1.0 . . . . . . . . . . . . A . 9 U C5 . . . . . . . . . rr_1szy 1 . 1 . 275 . 1 1 9 U C5' C -15.338 -1.586 2.111 . . . 1.0 . . . . . . . . . . . . A . 9 U C5' . . . . . . . . . rr_1szy 1 . 1 . 276 . 1 1 9 U C6 C -12.535 -3.246 -0.276 . . . 1.0 . . . . . . . . . . . . A . 9 U C6 . . . . . . . . . rr_1szy 1 . 1 . 277 . 1 1 9 U H1' H -13.757 -0.691 -1.837 . . . 1.0 . . . . . . . . . . . . A . 9 U H1' . . . . . . . . . rr_1szy 1 . 1 . 278 . 1 1 9 U H2' H -15.458 -2.931 -2.196 . . . 1.0 . . . . . . . . . . . . A . 9 U H2' . . . . . . . . . rr_1szy 1 . 1 . 279 . 1 1 9 U H3 H -11.288 -4.092 -3.636 . . . 1.0 . . . . . . . . . . . . A . 9 U H3 . . . . . . . . . rr_1szy 1 . 1 . 280 . 1 1 9 U H3' H -15.911 -3.282 0.128 . . . 1.0 . . . . . . . . . . . . A . 9 U H3' . . . . . . . . . rr_1szy 1 . 1 . 281 . 1 1 9 U H4' H -16.014 -0.313 0.562 . . . 1.0 . . . . . . . . . . . . A . 9 U H4' . . . . . . . . . rr_1szy 1 . 1 . 282 . 1 1 9 U H5 H -11.216 -4.681 0.517 . . . 1.0 . . . . . . . . . . . . A . 9 U H5 . . . . . . . . . rr_1szy 1 . 1 . 283 . 1 1 9 U H5' H -14.556 -0.988 2.581 . . . 1.0 . . . . . . . . . . . . A . 9 U H5' . . . . . . . . . rr_1szy 1 . 1 . 284 . 1 1 9 U H5'' H -16.291 -1.363 2.589 . . . 1.0 . . . . . . . . . . . . A . 9 U H5'' . . . . . . . . . rr_1szy 1 . 1 . 285 . 1 1 9 U H6 H -12.916 -2.989 0.712 . . . 1.0 . . . . . . . . . . . . A . 9 U H6 . . . . . . . . . rr_1szy 1 . 1 . 286 . 1 1 9 U HO2' H -16.986 -0.847 -1.831 . . . 1.0 . . . . . . . . . . . . A . 9 U HO2' . . . . . . . . . rr_1szy 1 . 1 . 287 . 1 1 9 U N1 N -13.042 -2.589 -1.375 . . . 1.0 . . . . . . . . . . . . A . 9 U N1 . . . . . . . . . rr_1szy 1 . 1 . 288 . 1 1 9 U N3 N -11.631 -3.857 -2.716 . . . 1.0 . . . . . . . . . . . . A . 9 U N3 . . . . . . . . . rr_1szy 1 . 1 . 289 . 1 1 9 U O2 O -13.027 -2.332 -3.647 . . . 1.0 . . . . . . . . . . . . A . 9 U O2 . . . . . . . . . rr_1szy 1 . 1 . 290 . 1 1 9 U O2' O -16.142 -0.954 -2.269 . . . 1.0 . . . . . . . . . . . . A . 9 U O2' . . . . . . . . . rr_1szy 1 . 1 . 291 . 1 1 9 U O3' O -17.510 -2.104 -0.235 . . . 1.0 . . . . . . . . . . . . A . 9 U O3' . . . . . . . . . rr_1szy 1 . 1 . 292 . 1 1 9 U O4 O -10.205 -5.390 -1.883 . . . 1.0 . . . . . . . . . . . . A . 9 U O4 . . . . . . . . . rr_1szy 1 . 1 . 293 . 1 1 9 U O4' O -14.084 -1.111 0.111 . . . 1.0 . . . . . . . . . . . . A . 9 U O4' . . . . . . . . . rr_1szy 1 . 1 . 294 . 1 1 9 U O5' O -15.038 -2.973 2.255 . . . 1.0 . . . . . . . . . . . . A . 9 U O5' . . . . . . . . . rr_1szy 1 . 1 . 295 . 1 1 9 U OP1 O -15.583 -3.635 4.598 . . . 1.0 . . . . . . . . . . . . A . 9 U OP1 . . . . . . . . . rr_1szy 1 . 1 . 296 . 1 1 9 U OP2 O -13.671 -4.769 3.311 . . . 1.0 . . . . . . . . . . . . A . 9 U OP2 . . . . . . . . . rr_1szy 1 . 1 . 297 . 1 1 9 U P P -14.464 -3.552 3.623 . . . 1.0 . . . . . . . . . . . . A . 9 U P . . . . . . . . . rr_1szy 1 . 1 . 298 . 1 1 10 C C1' C -18.170 -5.046 -4.944 . . . 1.0 . . . . . . . . . . . . A . 10 C C1' . . . . . . . . . rr_1szy 1 . 1 . 299 . 1 1 10 C C2 C -19.943 -3.935 -6.255 . . . 1.0 . . . . . . . . . . . . A . 10 C C2 . . . . . . . . . rr_1szy 1 . 1 . 300 . 1 1 10 C C2' C -16.779 -4.427 -4.851 . . . 1.0 . . . . . . . . . . . . A . 10 C C2' . . . . . . . . . rr_1szy 1 . 1 . 301 . 1 1 10 C C3' C -16.062 -5.332 -3.848 . . . 1.0 . . . . . . . . . . . . A . 10 C C3' . . . . . . . . . rr_1szy 1 . 1 . 302 . 1 1 10 C C4 C -21.194 -2.203 -5.332 . . . 1.0 . . . . . . . . . . . . A . 10 C C4 . . . . . . . . . rr_1szy 1 . 1 . 303 . 1 1 10 C C4' C -17.179 -5.989 -3.041 . . . 1.0 . . . . . . . . . . . . A . 10 C C4' . . . . . . . . . rr_1szy 1 . 1 . 304 . 1 1 10 C C5 C -20.466 -2.270 -4.111 . . . 1.0 . . . . . . . . . . . . A . 10 C C5 . . . . . . . . . rr_1szy 1 . 1 . 305 . 1 1 10 C C5' C -17.377 -5.437 -1.651 . . . 1.0 . . . . . . . . . . . . A . 10 C C5' . . . . . . . . . rr_1szy 1 . 1 . 306 . 1 1 10 C C6 C -19.501 -3.190 -4.019 . . . 1.0 . . . . . . . . . . . . A . 10 C C6 . . . . . . . . . rr_1szy 1 . 1 . 307 . 1 1 10 C H1' H -18.264 -5.726 -5.788 . . . 1.0 . . . . . . . . . . . . A . 10 C H1' . . . . . . . . . rr_1szy 1 . 1 . 308 . 1 1 10 C H2' H -16.822 -3.402 -4.482 . . . 1.0 . . . . . . . . . . . . A . 10 C H2' . . . . . . . . . rr_1szy 1 . 1 . 309 . 1 1 10 C H3' H -15.389 -4.772 -3.201 . . . 1.0 . . . . . . . . . . . . A . 10 C H3' . . . . . . . . . rr_1szy 1 . 1 . 310 . 1 1 10 C H4' H -16.901 -7.037 -2.935 . . . 1.0 . . . . . . . . . . . . A . 10 C H4' . . . . . . . . . rr_1szy 1 . 1 . 311 . 1 1 10 C H41 H -22.709 -1.282 -6.330 . . . 1.0 . . . . . . . . . . . . A . 10 C H41 . . . . . . . . . rr_1szy 1 . 1 . 312 . 1 1 10 C H42 H -22.406 -0.699 -4.708 . . . 1.0 . . . . . . . . . . . . A . 10 C H42 . . . . . . . . . rr_1szy 1 . 1 . 313 . 1 1 10 C H5 H -20.684 -1.594 -3.283 . . . 1.0 . . . . . . . . . . . . A . 10 C H5 . . . . . . . . . rr_1szy 1 . 1 . 314 . 1 1 10 C H5' H -18.085 -6.069 -1.112 . . . 1.0 . . . . . . . . . . . . A . 10 C H5' . . . . . . . . . rr_1szy 1 . 1 . 315 . 1 1 10 C H5'' H -16.424 -5.446 -1.126 . . . 1.0 . . . . . . . . . . . . A . 10 C H5'' . . . . . . . . . rr_1szy 1 . 1 . 316 . 1 1 10 C H6 H -18.922 -3.266 -3.099 . . . 1.0 . . . . . . . . . . . . A . 10 C H6 . . . . . . . . . rr_1szy 1 . 1 . 317 . 1 1 10 C HO2' H -15.537 -5.216 -6.100 . . . 1.0 . . . . . . . . . . . . A . 10 C HO2' . . . . . . . . . rr_1szy 1 . 1 . 318 . 1 1 10 C N1 N -19.225 -4.031 -5.061 . . . 1.0 . . . . . . . . . . . . A . 10 C N1 . . . . . . . . . rr_1szy 1 . 1 . 319 . 1 1 10 C N3 N -20.926 -3.011 -6.361 . . . 1.0 . . . . . . . . . . . . A . 10 C N3 . . . . . . . . . rr_1szy 1 . 1 . 320 . 1 1 10 C N4 N -22.181 -1.320 -5.472 . . . 1.0 . . . . . . . . . . . . A . 10 C N4 . . . . . . . . . rr_1szy 1 . 1 . 321 . 1 1 10 C O2 O -19.661 -4.700 -7.190 . . . 1.0 . . . . . . . . . . . . A . 10 C O2 . . . . . . . . . rr_1szy 1 . 1 . 322 . 1 1 10 C O2' O -16.189 -4.516 -6.134 . . . 1.0 . . . . . . . . . . . . A . 10 C O2' . . . . . . . . . rr_1szy 1 . 1 . 323 . 1 1 10 C O3' O -15.250 -6.311 -4.487 . . . 1.0 . . . . . . . . . . . . A . 10 C O3' . . . . . . . . . rr_1szy 1 . 1 . 324 . 1 1 10 C O4' O -18.412 -5.794 -3.776 . . . 1.0 . . . . . . . . . . . . A . 10 C O4' . . . . . . . . . rr_1szy 1 . 1 . 325 . 1 1 10 C O5' O -17.879 -4.105 -1.719 . . . 1.0 . . . . . . . . . . . . A . 10 C O5' . . . . . . . . . rr_1szy 1 . 1 . 326 . 1 1 10 C OP1 O -19.828 -2.893 -0.747 . . . 1.0 . . . . . . . . . . . . A . 10 C OP1 . . . . . . . . . rr_1szy 1 . 1 . 327 . 1 1 10 C OP2 O -18.262 -4.275 0.746 . . . 1.0 . . . . . . . . . . . . A . 10 C OP2 . . . . . . . . . rr_1szy 1 . 1 . 328 . 1 1 10 C P P -18.464 -3.383 -0.425 . . . 1.0 . . . . . . . . . . . . A . 10 C P . . . . . . . . . rr_1szy 1 . 1 . 329 . 1 1 11 A C1' C -13.573 -2.479 -7.575 . . . 1.0 . . . . . . . . . . . . A . 11 A C1' . . . . . . . . . rr_1szy 1 . 1 . 330 . 1 1 11 A C2 C -16.358 0.709 -8.548 . . . 1.0 . . . . . . . . . . . . A . 11 A C2 . . . . . . . . . rr_1szy 1 . 1 . 331 . 1 1 11 A C2' C -12.196 -1.952 -7.166 . . . 1.0 . . . . . . . . . . . . A . 11 A C2' . . . . . . . . . rr_1szy 1 . 1 . 332 . 1 1 11 A C3' C -11.661 -3.099 -6.316 . . . 1.0 . . . . . . . . . . . . A . 11 A C3' . . . . . . . . . rr_1szy 1 . 1 . 333 . 1 1 11 A C4 C -15.481 -0.857 -7.276 . . . 1.0 . . . . . . . . . . . . A . 11 A C4 . . . . . . . . . rr_1szy 1 . 1 . 334 . 1 1 11 A C4' C -12.256 -4.319 -7.001 . . . 1.0 . . . . . . . . . . . . A . 11 A C4' . . . . . . . . . rr_1szy 1 . 1 . 335 . 1 1 11 A C5 C -16.377 -0.608 -6.253 . . . 1.0 . . . . . . . . . . . . A . 11 A C5 . . . . . . . . . rr_1szy 1 . 1 . 336 . 1 1 11 A C5' C -12.346 -5.573 -6.162 . . . 1.0 . . . . . . . . . . . . A . 11 A C5' . . . . . . . . . rr_1szy 1 . 1 . 337 . 1 1 11 A C6 C -17.324 0.407 -6.469 . . . 1.0 . . . . . . . . . . . . A . 11 A C6 . . . . . . . . . rr_1szy 1 . 1 . 338 . 1 1 11 A C8 C -15.124 -2.184 -5.569 . . . 1.0 . . . . . . . . . . . . A . 11 A C8 . . . . . . . . . rr_1szy 1 . 1 . 339 . 1 1 11 A H1' H -13.765 -2.324 -8.636 . . . 1.0 . . . . . . . . . . . . A . 11 A H1' . . . . . . . . . rr_1szy 1 . 1 . 340 . 1 1 11 A H2 H -16.373 1.271 -9.481 . . . 1.0 . . . . . . . . . . . . A . 11 A H2 . . . . . . . . . rr_1szy 1 . 1 . 341 . 1 1 11 A H2' H -12.273 -1.037 -6.576 . . . 1.0 . . . . . . . . . . . . A . 11 A H2' . . . . . . . . . rr_1szy 1 . 1 . 342 . 1 1 11 A H3' H -11.972 -3.031 -5.274 . . . 1.0 . . . . . . . . . . . . A . 11 A H3' . . . . . . . . . rr_1szy 1 . 1 . 343 . 1 1 11 A H4' H -11.626 -4.540 -7.862 . . . 1.0 . . . . . . . . . . . . A . 11 A H4' . . . . . . . . . rr_1szy 1 . 1 . 344 . 1 1 11 A H5' H -12.915 -6.328 -6.707 . . . 1.0 . . . . . . . . . . . . A . 11 A H5' . . . . . . . . . rr_1szy 1 . 1 . 345 . 1 1 11 A H5'' H -11.340 -5.949 -5.980 . . . 1.0 . . . . . . . . . . . . A . 11 A H5'' . . . . . . . . . rr_1szy 1 . 1 . 346 . 1 1 11 A H61 H -18.905 1.495 -5.793 . . . 1.0 . . . . . . . . . . . . A . 11 A H61 . . . . . . . . . rr_1szy 1 . 1 . 347 . 1 1 11 A H62 H -18.295 0.281 -4.687 . . . 1.0 . . . . . . . . . . . . A . 11 A H62 . . . . . . . . . rr_1szy 1 . 1 . 348 . 1 1 11 A H8 H -14.689 -2.965 -4.960 . . . 1.0 . . . . . . . . . . . . A . 11 A H8 . . . . . . . . . rr_1szy 1 . 1 . 349 . 1 1 11 A HO2' H -11.219 -0.850 -8.401 . . . 1.0 . . . . . . . . . . . . A . 11 A HO2' . . . . . . . . . rr_1szy 1 . 1 . 350 . 1 1 11 A N1 N -17.287 1.061 -7.650 . . . 1.0 . . . . . . . . . . . . A . 11 A N1 . . . . . . . . . rr_1szy 1 . 1 . 351 . 1 1 11 A N3 N -15.417 -0.228 -8.462 . . . 1.0 . . . . . . . . . . . . A . 11 A N3 . . . . . . . . . rr_1szy 1 . 1 . 352 . 1 1 11 A N6 N -18.251 0.757 -5.576 . . . 1.0 . . . . . . . . . . . . A . 11 A N6 . . . . . . . . . rr_1szy 1 . 1 . 353 . 1 1 11 A N7 N -16.139 -1.453 -5.178 . . . 1.0 . . . . . . . . . . . . A . 11 A N7 . . . . . . . . . rr_1szy 1 . 1 . 354 . 1 1 11 A N9 N -14.675 -1.875 -6.830 . . . 1.0 . . . . . . . . . . . . A . 11 A N9 . . . . . . . . . rr_1szy 1 . 1 . 355 . 1 1 11 A O2' O -11.430 -1.782 -8.342 . . . 1.0 . . . . . . . . . . . . A . 11 A O2' . . . . . . . . . rr_1szy 1 . 1 . 356 . 1 1 11 A O3' O -10.237 -3.141 -6.303 . . . 1.0 . . . . . . . . . . . . A . 11 A O3' . . . . . . . . . rr_1szy 1 . 1 . 357 . 1 1 11 A O4' O -13.589 -3.878 -7.355 . . . 1.0 . . . . . . . . . . . . A . 11 A O4' . . . . . . . . . rr_1szy 1 . 1 . 358 . 1 1 11 A O5' O -12.987 -5.292 -4.920 . . . 1.0 . . . . . . . . . . . . A . 11 A O5' . . . . . . . . . rr_1szy 1 . 1 . 359 . 1 1 11 A OP1 O -13.220 -7.756 -4.597 . . . 1.0 . . . . . . . . . . . . A . 11 A OP1 . . . . . . . . . rr_1szy 1 . 1 . 360 . 1 1 11 A OP2 O -13.551 -6.127 -2.641 . . . 1.0 . . . . . . . . . . . . A . 11 A OP2 . . . . . . . . . rr_1szy 1 . 1 . 361 . 1 1 11 A P P -13.698 -6.446 -4.084 . . . 1.0 . . . . . . . . . . . . A . 11 A P . . . . . . . . . rr_1szy 1 . 1 . 362 . 1 1 12 U C1' C -11.446 2.153 -7.733 . . . 1.0 . . . . . . . . . . . . A . 12 U C1' . . . . . . . . . rr_1szy 1 . 1 . 363 . 1 1 12 U C2 C -13.768 2.845 -7.385 . . . 1.0 . . . . . . . . . . . . A . 12 U C2 . . . . . . . . . rr_1szy 1 . 1 . 364 . 1 1 12 U C2' C -10.293 2.897 -7.064 . . . 1.0 . . . . . . . . . . . . A . 12 U C2' . . . . . . . . . rr_1szy 1 . 1 . 365 . 1 1 12 U C3' C -9.060 2.063 -7.448 . . . 1.0 . . . . . . . . . . . . A . 12 U C3' . . . . . . . . . rr_1szy 1 . 1 . 366 . 1 1 12 U C4 C -14.957 2.193 -5.331 . . . 1.0 . . . . . . . . . . . . A . 12 U C4 . . . . . . . . . rr_1szy 1 . 1 . 367 . 1 1 12 U C4' C -9.606 0.787 -8.091 . . . 1.0 . . . . . . . . . . . . A . 12 U C4' . . . . . . . . . rr_1szy 1 . 1 . 368 . 1 1 12 U C5 C -13.775 1.499 -4.923 . . . 1.0 . . . . . . . . . . . . A . 12 U C5 . . . . . . . . . rr_1szy 1 . 1 . 369 . 1 1 12 U C5' C -9.082 -0.504 -7.502 . . . 1.0 . . . . . . . . . . . . A . 12 U C5' . . . . . . . . . rr_1szy 1 . 1 . 370 . 1 1 12 U C6 C -12.694 1.504 -5.707 . . . 1.0 . . . . . . . . . . . . A . 12 U C6 . . . . . . . . . rr_1szy 1 . 1 . 371 . 1 1 12 U H1' H -11.690 2.555 -8.715 . . . 1.0 . . . . . . . . . . . . A . 12 U H1' . . . . . . . . . rr_1szy 1 . 1 . 372 . 1 1 12 U H2' H -10.421 2.920 -5.981 . . . 1.0 . . . . . . . . . . . . A . 12 U H2' . . . . . . . . . rr_1szy 1 . 1 . 373 . 1 1 12 U H3 H -15.678 3.317 -6.872 . . . 1.0 . . . . . . . . . . . . A . 12 U H3 . . . . . . . . . rr_1szy 1 . 1 . 374 . 1 1 12 U H3' H -8.433 1.836 -6.588 . . . 1.0 . . . . . . . . . . . . A . 12 U H3' . . . . . . . . . rr_1szy 1 . 1 . 375 . 1 1 12 U H4' H -9.301 0.812 -9.139 . . . 1.0 . . . . . . . . . . . . A . 12 U H4' . . . . . . . . . rr_1szy 1 . 1 . 376 . 1 1 12 U H5 H -13.757 0.966 -3.972 . . . 1.0 . . . . . . . . . . . . A . 12 U H5 . . . . . . . . . rr_1szy 1 . 1 . 377 . 1 1 12 U H5' H -9.383 -1.337 -8.140 . . . 1.0 . . . . . . . . . . . . A . 12 U H5' . . . . . . . . . rr_1szy 1 . 1 . 378 . 1 1 12 U H5'' H -7.994 -0.462 -7.467 . . . 1.0 . . . . . . . . . . . . A . 12 U H5'' . . . . . . . . . rr_1szy 1 . 1 . 379 . 1 1 12 U H6 H -11.799 0.974 -5.377 . . . 1.0 . . . . . . . . . . . . A . 12 U H6 . . . . . . . . . rr_1szy 1 . 1 . 380 . 1 1 12 U HO2' H -9.329 4.296 -7.962 . . . 1.0 . . . . . . . . . . . . A . 12 U HO2' . . . . . . . . . rr_1szy 1 . 1 . 381 . 1 1 12 U N1 N -12.664 2.159 -6.914 . . . 1.0 . . . . . . . . . . . . A . 12 U N1 . . . . . . . . . rr_1szy 1 . 1 . 382 . 1 1 12 U N3 N -14.859 2.821 -6.554 . . . 1.0 . . . . . . . . . . . . A . 12 U N3 . . . . . . . . . rr_1szy 1 . 1 . 383 . 1 1 12 U O2 O -13.781 3.429 -8.454 . . . 1.0 . . . . . . . . . . . . A . 12 U O2 . . . . . . . . . rr_1szy 1 . 1 . 384 . 1 1 12 U O2' O -10.220 4.193 -7.626 . . . 1.0 . . . . . . . . . . . . A . 12 U O2' . . . . . . . . . rr_1szy 1 . 1 . 385 . 1 1 12 U O3' O -8.219 2.762 -8.360 . . . 1.0 . . . . . . . . . . . . A . 12 U O3' . . . . . . . . . rr_1szy 1 . 1 . 386 . 1 1 12 U O4 O -16.001 2.284 -4.685 . . . 1.0 . . . . . . . . . . . . A . 12 U O4 . . . . . . . . . rr_1szy 1 . 1 . 387 . 1 1 12 U O4' O -11.038 0.823 -7.906 . . . 1.0 . . . . . . . . . . . . A . 12 U O4' . . . . . . . . . rr_1szy 1 . 1 . 388 . 1 1 12 U O5' O -9.602 -0.695 -6.186 . . . 1.0 . . . . . . . . . . . . A . 12 U O5' . . . . . . . . . rr_1szy 1 . 1 . 389 . 1 1 12 U OP1 O -7.980 -2.458 -5.495 . . . 1.0 . . . . . . . . . . . . A . 12 U OP1 . . . . . . . . . rr_1szy 1 . 1 . 390 . 1 1 12 U OP2 O -10.069 -1.964 -4.091 . . . 1.0 . . . . . . . . . . . . A . 12 U OP2 . . . . . . . . . rr_1szy 1 . 1 . 391 . 1 1 12 U P P -9.414 -2.079 -5.418 . . . 1.0 . . . . . . . . . . . . A . 12 U P . . . . . . . . . rr_1szy 1 . 1 . 392 . 1 1 13 A C1' C -7.626 6.560 -5.244 . . . 1.0 . . . . . . . . . . . . A . 13 A C1' . . . . . . . . . rr_1szy 1 . 1 . 393 . 1 1 13 A C2 C -9.761 5.829 -1.507 . . . 1.0 . . . . . . . . . . . . A . 13 A C2 . . . . . . . . . rr_1szy 1 . 1 . 394 . 1 1 13 A C2' C -6.251 6.926 -4.701 . . . 1.0 . . . . . . . . . . . . A . 13 A C2' . . . . . . . . . rr_1szy 1 . 1 . 395 . 1 1 13 A C3' C -5.380 6.031 -5.566 . . . 1.0 . . . . . . . . . . . . A . 13 A C3' . . . . . . . . . rr_1szy 1 . 1 . 396 . 1 1 13 A C4 C -8.836 5.276 -3.423 . . . 1.0 . . . . . . . . . . . . A . 13 A C4 . . . . . . . . . rr_1szy 1 . 1 . 397 . 1 1 13 A C4' C -6.032 6.203 -6.932 . . . 1.0 . . . . . . . . . . . . A . 13 A C4' . . . . . . . . . rr_1szy 1 . 1 . 398 . 1 1 13 A C5 C -9.156 3.941 -3.259 . . . 1.0 . . . . . . . . . . . . A . 13 A C5 . . . . . . . . . rr_1szy 1 . 1 . 399 . 1 1 13 A C5' C -5.811 5.081 -7.920 . . . 1.0 . . . . . . . . . . . . A . 13 A C5' . . . . . . . . . rr_1szy 1 . 1 . 400 . 1 1 13 A C6 C -9.847 3.590 -2.085 . . . 1.0 . . . . . . . . . . . . A . 13 A C6 . . . . . . . . . rr_1szy 1 . 1 . 401 . 1 1 13 A C8 C -8.131 4.080 -5.116 . . . 1.0 . . . . . . . . . . . . A . 13 A C8 . . . . . . . . . rr_1szy 1 . 1 . 402 . 1 1 13 A H1' H -8.349 7.369 -5.138 . . . 1.0 . . . . . . . . . . . . A . 13 A H1' . . . . . . . . . rr_1szy 1 . 1 . 403 . 1 1 13 A H2 H -10.019 6.584 -0.763 . . . 1.0 . . . . . . . . . . . . A . 13 A H2 . . . . . . . . . rr_1szy 1 . 1 . 404 . 1 1 13 A H2' H -6.151 6.666 -3.644 . . . 1.0 . . . . . . . . . . . . A . 13 A H2' . . . . . . . . . rr_1szy 1 . 1 . 405 . 1 1 13 A H3' H -5.398 4.990 -5.242 . . . 1.0 . . . . . . . . . . . . A . 13 A H3' . . . . . . . . . rr_1szy 1 . 1 . 406 . 1 1 13 A H4' H -5.612 7.106 -7.366 . . . 1.0 . . . . . . . . . . . . A . 13 A H4' . . . . . . . . . rr_1szy 1 . 1 . 407 . 1 1 13 A H5' H -6.414 5.265 -8.810 . . . 1.0 . . . . . . . . . . . . A . 13 A H5' . . . . . . . . . rr_1szy 1 . 1 . 408 . 1 1 13 A H5'' H -4.760 5.061 -8.202 . . . 1.0 . . . . . . . . . . . . A . 13 A H5'' . . . . . . . . . rr_1szy 1 . 1 . 409 . 1 1 13 A H61 H -10.718 2.157 -0.930 . . . 1.0 . . . . . . . . . . . . A . 13 A H61 . . . . . . . . . rr_1szy 1 . 1 . 410 . 1 1 13 A H62 H -10.015 1.591 -2.431 . . . 1.0 . . . . . . . . . . . . A . 13 A H62 . . . . . . . . . rr_1szy 1 . 1 . 411 . 1 1 13 A H8 H -7.651 3.828 -6.050 . . . 1.0 . . . . . . . . . . . . A . 13 A H8 . . . . . . . . . rr_1szy 1 . 1 . 412 . 1 1 13 A HO2' H -5.399 8.599 -4.285 . . . 1.0 . . . . . . . . . . . . A . 13 A HO2' . . . . . . . . . rr_1szy 1 . 1 . 413 . 1 1 13 A N1 N -10.140 4.578 -1.211 . . . 1.0 . . . . . . . . . . . . A . 13 A N1 . . . . . . . . . rr_1szy 1 . 1 . 414 . 1 1 13 A N3 N -9.113 6.282 -2.576 . . . 1.0 . . . . . . . . . . . . A . 13 A N3 . . . . . . . . . rr_1szy 1 . 1 . 415 . 1 1 13 A N6 N -10.225 2.344 -1.791 . . . 1.0 . . . . . . . . . . . . A . 13 A N6 . . . . . . . . . rr_1szy 1 . 1 . 416 . 1 1 13 A N7 N -8.706 3.194 -4.339 . . . 1.0 . . . . . . . . . . . . A . 13 A N7 . . . . . . . . . rr_1szy 1 . 1 . 417 . 1 1 13 A N9 N -8.176 5.357 -4.624 . . . 1.0 . . . . . . . . . . . . A . 13 A N9 . . . . . . . . . rr_1szy 1 . 1 . 418 . 1 1 13 A O2' O -6.008 8.296 -4.958 . . . 1.0 . . . . . . . . . . . . A . 13 A O2' . . . . . . . . . rr_1szy 1 . 1 . 419 . 1 1 13 A O3' O -4.013 6.425 -5.558 . . . 1.0 . . . . . . . . . . . . A . 13 A O3' . . . . . . . . . rr_1szy 1 . 1 . 420 . 1 1 13 A O4' O -7.454 6.313 -6.631 . . . 1.0 . . . . . . . . . . . . A . 13 A O4' . . . . . . . . . rr_1szy 1 . 1 . 421 . 1 1 13 A O5' O -6.178 3.832 -7.341 . . . 1.0 . . . . . . . . . . . . A . 13 A O5' . . . . . . . . . rr_1szy 1 . 1 . 422 . 1 1 13 A OP1 O -6.073 2.821 -9.620 . . . 1.0 . . . . . . . . . . . . A . 13 A OP1 . . . . . . . . . rr_1szy 1 . 1 . 423 . 1 1 13 A OP2 O -6.309 1.348 -7.531 . . . 1.0 . . . . . . . . . . . . A . 13 A OP2 . . . . . . . . . rr_1szy 1 . 1 . 424 . 1 1 13 A P P -6.621 2.606 -8.257 . . . 1.0 . . . . . . . . . . . . A . 13 A P . . . . . . . . . rr_1szy 1 . 1 . 425 . 1 1 14 A C1' C -6.425 7.745 -1.087 . . . 1.0 . . . . . . . . . . . . A . 14 A C1' . . . . . . . . . rr_1szy 1 . 1 . 426 . 1 1 14 A C2 C -8.055 5.672 2.398 . . . 1.0 . . . . . . . . . . . . A . 14 A C2 . . . . . . . . . rr_1szy 1 . 1 . 427 . 1 1 14 A C2' C -5.706 8.652 -0.086 . . . 1.0 . . . . . . . . . . . . A . 14 A C2' . . . . . . . . . rr_1szy 1 . 1 . 428 . 1 1 14 A C3' C -4.285 8.604 -0.628 . . . 1.0 . . . . . . . . . . . . A . 14 A C3' . . . . . . . . . rr_1szy 1 . 1 . 429 . 1 1 14 A C4 C -7.037 5.822 0.453 . . . 1.0 . . . . . . . . . . . . A . 14 A C4 . . . . . . . . . rr_1szy 1 . 1 . 430 . 1 1 14 A C4' C -4.519 8.632 -2.131 . . . 1.0 . . . . . . . . . . . . A . 14 A C4' . . . . . . . . . rr_1szy 1 . 1 . 431 . 1 1 14 A C5 C -6.865 4.452 0.375 . . . 1.0 . . . . . . . . . . . . A . 14 A C5 . . . . . . . . . rr_1szy 1 . 1 . 432 . 1 1 14 A C5' C -3.405 8.069 -2.986 . . . 1.0 . . . . . . . . . . . . A . 14 A C5' . . . . . . . . . rr_1szy 1 . 1 . 433 . 1 1 14 A C6 C -7.361 3.684 1.442 . . . 1.0 . . . . . . . . . . . . A . 14 A C6 . . . . . . . . . rr_1szy 1 . 1 . 434 . 1 1 14 A C8 C -5.998 5.254 -1.392 . . . 1.0 . . . . . . . . . . . . A . 14 A C8 . . . . . . . . . rr_1szy 1 . 1 . 435 . 1 1 14 A H1' H -7.444 8.078 -1.287 . . . 1.0 . . . . . . . . . . . . A . 14 A H1' . . . . . . . . . rr_1szy 1 . 1 . 436 . 1 1 14 A H2 H -8.545 6.146 3.248 . . . 1.0 . . . . . . . . . . . . A . 14 A H2 . . . . . . . . . rr_1szy 1 . 1 . 437 . 1 1 14 A H2' H -5.748 8.248 0.928 . . . 1.0 . . . . . . . . . . . . A . 14 A H2' . . . . . . . . . rr_1szy 1 . 1 . 438 . 1 1 14 A H3' H -3.755 7.708 -0.313 . . . 1.0 . . . . . . . . . . . . A . 14 A H3' . . . . . . . . . rr_1szy 1 . 1 . 439 . 1 1 14 A H4' H -4.649 9.678 -2.409 . . . 1.0 . . . . . . . . . . . . A . 14 A H4' . . . . . . . . . rr_1szy 1 . 1 . 440 . 1 1 14 A H5' H -3.456 8.517 -3.979 . . . 1.0 . . . . . . . . . . . . A . 14 A H5' . . . . . . . . . rr_1szy 1 . 1 . 441 . 1 1 14 A H5'' H -2.449 8.324 -2.532 . . . 1.0 . . . . . . . . . . . . A . 14 A H5'' . . . . . . . . . rr_1szy 1 . 1 . 442 . 1 1 14 A H61 H -7.661 1.857 2.289 . . . 1.0 . . . . . . . . . . . . A . 14 A H61 . . . . . . . . . rr_1szy 1 . 1 . 443 . 1 1 14 A H62 H -6.825 1.845 0.752 . . . 1.0 . . . . . . . . . . . . A . 14 A H62 . . . . . . . . . rr_1szy 1 . 1 . 444 . 1 1 14 A H8 H -5.493 5.342 -2.342 . . . 1.0 . . . . . . . . . . . . A . 14 A H8 . . . . . . . . . rr_1szy 1 . 1 . 445 . 1 1 14 A HO2' H -5.515 10.551 -0.337 . . . 1.0 . . . . . . . . . . . . A . 14 A HO2' . . . . . . . . . rr_1szy 1 . 1 . 446 . 1 1 14 A N1 N -7.963 4.337 2.459 . . . 1.0 . . . . . . . . . . . . A . 14 A N1 . . . . . . . . . rr_1szy 1 . 1 . 447 . 1 1 14 A N3 N -7.632 6.503 1.447 . . . 1.0 . . . . . . . . . . . . A . 14 A N3 . . . . . . . . . rr_1szy 1 . 1 . 448 . 1 1 14 A N6 N -7.270 2.354 1.502 . . . 1.0 . . . . . . . . . . . . A . 14 A N6 . . . . . . . . . rr_1szy 1 . 1 . 449 . 1 1 14 A N7 N -6.206 4.105 -0.796 . . . 1.0 . . . . . . . . . . . . A . 14 A N7 . . . . . . . . . rr_1szy 1 . 1 . 450 . 1 1 14 A N9 N -6.480 6.335 -0.694 . . . 1.0 . . . . . . . . . . . . A . 14 A N9 . . . . . . . . . rr_1szy 1 . 1 . 451 . 1 1 14 A O2' O -6.249 9.956 -0.181 . . . 1.0 . . . . . . . . . . . . A . 14 A O2' . . . . . . . . . rr_1szy 1 . 1 . 452 . 1 1 14 A O3' O -3.476 9.706 -0.228 . . . 1.0 . . . . . . . . . . . . A . 14 A O3' . . . . . . . . . rr_1szy 1 . 1 . 453 . 1 1 14 A O4' O -5.719 7.833 -2.312 . . . 1.0 . . . . . . . . . . . . A . 14 A O4' . . . . . . . . . rr_1szy 1 . 1 . 454 . 1 1 14 A O5' O -3.527 6.654 -3.090 . . . 1.0 . . . . . . . . . . . . A . 14 A O5' . . . . . . . . . rr_1szy 1 . 1 . 455 . 1 1 14 A OP1 O -1.664 6.353 -4.720 . . . 1.0 . . . . . . . . . . . . A . 14 A OP1 . . . . . . . . . rr_1szy 1 . 1 . 456 . 1 1 14 A OP2 O -3.292 4.435 -4.207 . . . 1.0 . . . . . . . . . . . . A . 14 A OP2 . . . . . . . . . rr_1szy 1 . 1 . 457 . 1 1 14 A P P -3.037 5.886 -4.398 . . . 1.0 . . . . . . . . . . . . A . 14 A P . . . . . . . . . rr_1szy 1 . 1 . 458 . 1 1 15 C C1' C -4.668 6.279 3.777 . . . 1.0 . . . . . . . . . . . . A . 15 C C1' . . . . . . . . . rr_1szy 1 . 1 . 459 . 1 1 15 C C2 C -4.549 3.897 3.128 . . . 1.0 . . . . . . . . . . . . A . 15 C C2 . . . . . . . . . rr_1szy 1 . 1 . 460 . 1 1 15 C C2' C -3.649 6.417 4.911 . . . 1.0 . . . . . . . . . . . . A . 15 C C2' . . . . . . . . . rr_1szy 1 . 1 . 461 . 1 1 15 C C3' C -2.785 7.555 4.387 . . . 1.0 . . . . . . . . . . . . A . 15 C C3' . . . . . . . . . rr_1szy 1 . 1 . 462 . 1 1 15 C C4 C -3.704 3.261 1.057 . . . 1.0 . . . . . . . . . . . . A . 15 C C4 . . . . . . . . . rr_1szy 1 . 1 . 463 . 1 1 15 C C4' C -3.825 8.462 3.750 . . . 1.0 . . . . . . . . . . . . A . 15 C C4' . . . . . . . . . rr_1szy 1 . 1 . 464 . 1 1 15 C C5 C -3.461 4.616 0.690 . . . 1.0 . . . . . . . . . . . . A . 15 C C5 . . . . . . . . . rr_1szy 1 . 1 . 465 . 1 1 15 C C5' C -3.314 9.432 2.717 . . . 1.0 . . . . . . . . . . . . A . 15 C C5' . . . . . . . . . rr_1szy 1 . 1 . 466 . 1 1 15 C C6 C -3.783 5.565 1.581 . . . 1.0 . . . . . . . . . . . . A . 15 C C6 . . . . . . . . . rr_1szy 1 . 1 . 467 . 1 1 15 C H1' H -5.667 6.069 4.147 . . . 1.0 . . . . . . . . . . . . A . 15 C H1' . . . . . . . . . rr_1szy 1 . 1 . 468 . 1 1 15 C H2' H -3.059 5.511 5.034 . . . 1.0 . . . . . . . . . . . . A . 15 C H2' . . . . . . . . . rr_1szy 1 . 1 . 469 . 1 1 15 C H3' H -2.049 7.217 3.658 . . . 1.0 . . . . . . . . . . . . A . 15 C H3' . . . . . . . . . rr_1szy 1 . 1 . 470 . 1 1 15 C H4' H -4.282 9.038 4.553 . . . 1.0 . . . . . . . . . . . . A . 15 C H4' . . . . . . . . . rr_1szy 1 . 1 . 471 . 1 1 15 C H41 H -3.586 1.320 0.475 . . . 1.0 . . . . . . . . . . . . A . 15 C H41 . . . . . . . . . rr_1szy 1 . 1 . 472 . 1 1 15 C H42 H -3.014 2.491 -0.696 . . . 1.0 . . . . . . . . . . . . A . 15 C H42 . . . . . . . . . rr_1szy 1 . 1 . 473 . 1 1 15 C H5 H -3.030 4.869 -0.279 . . . 1.0 . . . . . . . . . . . . A . 15 C H5 . . . . . . . . . rr_1szy 1 . 1 . 474 . 1 1 15 C H5' H -4.158 9.824 2.148 . . . 1.0 . . . . . . . . . . . . A . 15 C H5' . . . . . . . . . rr_1szy 1 . 1 . 475 . 1 1 15 C H5'' H -2.815 10.256 3.222 . . . 1.0 . . . . . . . . . . . . A . 15 C H5'' . . . . . . . . . rr_1szy 1 . 1 . 476 . 1 1 15 C H6 H -3.614 6.613 1.332 . . . 1.0 . . . . . . . . . . . . A . 15 C H6 . . . . . . . . . rr_1szy 1 . 1 . 477 . 1 1 15 C HO2' H -4.183 6.092 6.737 . . . 1.0 . . . . . . . . . . . . A . 15 C HO2' . . . . . . . . . rr_1szy 1 . 1 . 478 . 1 1 15 C N1 N -4.321 5.237 2.795 . . . 1.0 . . . . . . . . . . . . A . 15 C N1 . . . . . . . . . rr_1szy 1 . 1 . 479 . 1 1 15 C N3 N -4.228 2.931 2.239 . . . 1.0 . . . . . . . . . . . . A . 15 C N3 . . . . . . . . . rr_1szy 1 . 1 . 480 . 1 1 15 C N4 N -3.410 2.278 0.209 . . . 1.0 . . . . . . . . . . . . A . 15 C N4 . . . . . . . . . rr_1szy 1 . 1 . 481 . 1 1 15 C O2 O -5.040 3.626 4.234 . . . 1.0 . . . . . . . . . . . . A . 15 C O2 . . . . . . . . . rr_1szy 1 . 1 . 482 . 1 1 15 C O2' O -4.335 6.786 6.094 . . . 1.0 . . . . . . . . . . . . A . 15 C O2' . . . . . . . . . rr_1szy 1 . 1 . 483 . 1 1 15 C O3' O -2.051 8.216 5.413 . . . 1.0 . . . . . . . . . . . . A . 15 C O3' . . . . . . . . . rr_1szy 1 . 1 . 484 . 1 1 15 C O4' O -4.735 7.528 3.113 . . . 1.0 . . . . . . . . . . . . A . 15 C O4' . . . . . . . . . rr_1szy 1 . 1 . 485 . 1 1 15 C O5' O -2.404 8.782 1.839 . . . 1.0 . . . . . . . . . . . . A . 15 C O5' . . . . . . . . . rr_1szy 1 . 1 . 486 . 1 1 15 C OP1 O -1.386 10.748 0.685 . . . 1.0 . . . . . . . . . . . . A . 15 C OP1 . . . . . . . . . rr_1szy 1 . 1 . 487 . 1 1 15 C OP2 O -1.337 8.414 -0.384 . . . 1.0 . . . . . . . . . . . . A . 15 C OP2 . . . . . . . . . rr_1szy 1 . 1 . 488 . 1 1 15 C P P -2.036 9.436 0.436 . . . 1.0 . . . . . . . . . . . . A . 15 C P . . . . . . . . . rr_1szy 1 . 1 . 489 . 1 1 16 C C1' C -2.030 2.964 7.575 . . . 1.0 . . . . . . . . . . . . A . 16 C C1' . . . . . . . . . rr_1szy 1 . 1 . 490 . 1 1 16 C C2 C -1.669 1.251 5.821 . . . 1.0 . . . . . . . . . . . . A . 16 C C2 . . . . . . . . . rr_1szy 1 . 1 . 491 . 1 1 16 C C2' C -0.802 2.890 8.483 . . . 1.0 . . . . . . . . . . . . A . 16 C C2' . . . . . . . . . rr_1szy 1 . 1 . 492 . 1 1 16 C C3' C -0.314 4.333 8.440 . . . 1.0 . . . . . . . . . . . . A . 16 C C3' . . . . . . . . . rr_1szy 1 . 1 . 493 . 1 1 16 C C4 C -1.263 1.873 3.615 . . . 1.0 . . . . . . . . . . . . A . 16 C C4 . . . . . . . . . rr_1szy 1 . 1 . 494 . 1 1 16 C C4' C -1.618 5.115 8.417 . . . 1.0 . . . . . . . . . . . . A . 16 C C4' . . . . . . . . . rr_1szy 1 . 1 . 495 . 1 1 16 C C5 C -1.354 3.256 3.941 . . . 1.0 . . . . . . . . . . . . A . 16 C C5 . . . . . . . . . rr_1szy 1 . 1 . 496 . 1 1 16 C C5' C -1.533 6.494 7.811 . . . 1.0 . . . . . . . . . . . . A . 16 C C5' . . . . . . . . . rr_1szy 1 . 1 . 497 . 1 1 16 C C6 C -1.602 3.573 5.218 . . . 1.0 . . . . . . . . . . . . A . 16 C C6 . . . . . . . . . rr_1szy 1 . 1 . 498 . 1 1 16 C H1' H -2.835 2.330 7.935 . . . 1.0 . . . . . . . . . . . . A . 16 C H1' . . . . . . . . . rr_1szy 1 . 1 . 499 . 1 1 16 C H2' H -0.046 2.217 8.082 . . . 1.0 . . . . . . . . . . . . A . 16 C H2' . . . . . . . . . rr_1szy 1 . 1 . 500 . 1 1 16 C H3' H 0.294 4.542 7.561 . . . 1.0 . . . . . . . . . . . . A . 16 C H3' . . . . . . . . . rr_1szy 1 . 1 . 501 . 1 1 16 C H4' H -1.942 5.227 9.452 . . . 1.0 . . . . . . . . . . . . A . 16 C H4' . . . . . . . . . rr_1szy 1 . 1 . 502 . 1 1 16 C H41 H -0.943 0.520 2.127 . . . 1.0 . . . . . . . . . . . . A . 16 C H41 . . . . . . . . . rr_1szy 1 . 1 . 503 . 1 1 16 C H42 H -0.899 2.199 1.641 . . . 1.0 . . . . . . . . . . . . A . 16 C H42 . . . . . . . . . rr_1szy 1 . 1 . 504 . 1 1 16 C H5 H -1.231 4.027 3.180 . . . 1.0 . . . . . . . . . . . . A . 16 C H5 . . . . . . . . . rr_1szy 1 . 1 . 505 . 1 1 16 C H5' H -2.536 6.835 7.553 . . . 1.0 . . . . . . . . . . . . A . 16 C H5' . . . . . . . . . rr_1szy 1 . 1 . 506 . 1 1 16 C H5'' H -1.103 7.176 8.542 . . . 1.0 . . . . . . . . . . . . A . 16 C H5'' . . . . . . . . . rr_1szy 1 . 1 . 507 . 1 1 16 C H6 H -1.682 4.622 5.499 . . . 1.0 . . . . . . . . . . . . A . 16 C H6 . . . . . . . . . rr_1szy 1 . 1 . 508 . 1 1 16 C HO2' H -0.760 1.720 10.018 . . . 1.0 . . . . . . . . . . . . A . 16 C HO2' . . . . . . . . . rr_1szy 1 . 1 . 509 . 1 1 16 C N1 N -1.762 2.605 6.170 . . . 1.0 . . . . . . . . . . . . A . 16 C N1 . . . . . . . . . rr_1szy 1 . 1 . 510 . 1 1 16 C N3 N -1.417 0.917 4.534 . . . 1.0 . . . . . . . . . . . . A . 16 C N3 . . . . . . . . . rr_1szy 1 . 1 . 511 . 1 1 16 C N4 N -1.018 1.499 2.359 . . . 1.0 . . . . . . . . . . . . A . 16 C N4 . . . . . . . . . rr_1szy 1 . 1 . 512 . 1 1 16 C O2 O -1.819 0.390 6.701 . . . 1.0 . . . . . . . . . . . . A . 16 C O2 . . . . . . . . . rr_1szy 1 . 1 . 513 . 1 1 16 C O2' O -1.225 2.524 9.784 . . . 1.0 . . . . . . . . . . . . A . 16 C O2' . . . . . . . . . rr_1szy 1 . 1 . 514 . 1 1 16 C O3' O 0.488 4.677 9.565 . . . 1.0 . . . . . . . . . . . . A . 16 C O3' . . . . . . . . . rr_1szy 1 . 1 . 515 . 1 1 16 C O4' O -2.510 4.297 7.613 . . . 1.0 . . . . . . . . . . . . A . 16 C O4' . . . . . . . . . rr_1szy 1 . 1 . 516 . 1 1 16 C O5' O -0.720 6.463 6.642 . . . 1.0 . . . . . . . . . . . . A . 16 C O5' . . . . . . . . . rr_1szy 1 . 1 . 517 . 1 1 16 C OP1 O 0.103 8.819 6.551 . . . 1.0 . . . . . . . . . . . . A . 16 C OP1 . . . . . . . . . rr_1szy 1 . 1 . 518 . 1 1 16 C OP2 O 0.087 7.334 4.456 . . . 1.0 . . . . . . . . . . . . A . 16 C OP2 . . . . . . . . . rr_1szy 1 . 1 . 519 . 1 1 16 C P P -0.542 7.759 5.734 . . . 1.0 . . . . . . . . . . . . A . 16 C P . . . . . . . . . rr_1szy 1 . 1 . 520 . 1 1 17 C C1' C 1.948 -0.710 8.700 . . . 1.0 . . . . . . . . . . . . A . 17 C C1' . . . . . . . . . rr_1szy 1 . 1 . 521 . 1 1 17 C C2 C 2.142 -1.316 6.308 . . . 1.0 . . . . . . . . . . . . A . 17 C C2 . . . . . . . . . rr_1szy 1 . 1 . 522 . 1 1 17 C C2' C 3.358 -0.906 9.259 . . . 1.0 . . . . . . . . . . . . A . 17 C C2' . . . . . . . . . rr_1szy 1 . 1 . 523 . 1 1 17 C C3' C 3.628 0.468 9.858 . . . 1.0 . . . . . . . . . . . . A . 17 C C3' . . . . . . . . . rr_1szy 1 . 1 . 524 . 1 1 17 C C4 C 1.953 0.302 4.648 . . . 1.0 . . . . . . . . . . . . A . 17 C C4 . . . . . . . . . rr_1szy 1 . 1 . 525 . 1 1 17 C C4' C 2.271 0.824 10.445 . . . 1.0 . . . . . . . . . . . . A . 17 C C4' . . . . . . . . . rr_1szy 1 . 1 . 526 . 1 1 17 C C5 C 1.721 1.326 5.611 . . . 1.0 . . . . . . . . . . . . A . 17 C C5 . . . . . . . . . rr_1szy 1 . 1 . 527 . 1 1 17 C C5' C 2.012 2.295 10.680 . . . 1.0 . . . . . . . . . . . . A . 17 C C5' . . . . . . . . . rr_1szy 1 . 1 . 528 . 1 1 17 C C6 C 1.718 0.970 6.901 . . . 1.0 . . . . . . . . . . . . A . 17 C C6 . . . . . . . . . rr_1szy 1 . 1 . 529 . 1 1 17 C H1' H 1.336 -1.603 8.817 . . . 1.0 . . . . . . . . . . . . A . 17 C H1' . . . . . . . . . rr_1szy 1 . 1 . 530 . 1 1 17 C H2' H 4.073 -1.128 8.469 . . . 1.0 . . . . . . . . . . . . A . 17 C H2' . . . . . . . . . rr_1szy 1 . 1 . 531 . 1 1 17 C H3' H 3.946 1.193 9.110 . . . 1.0 . . . . . . . . . . . . A . 17 C H3' . . . . . . . . . rr_1szy 1 . 1 . 532 . 1 1 17 C H4' H 2.200 0.319 11.408 . . . 1.0 . . . . . . . . . . . . A . 17 C H4' . . . . . . . . . rr_1szy 1 . 1 . 533 . 1 1 17 C H41 H 2.170 -0.133 2.680 . . . 1.0 . . . . . . . . . . . . A . 17 C H41 . . . . . . . . . rr_1szy 1 . 1 . 534 . 1 1 17 C H42 H 1.840 1.550 3.041 . . . 1.0 . . . . . . . . . . . . A . 17 C H42 . . . . . . . . . rr_1szy 1 . 1 . 535 . 1 1 17 C H5 H 1.543 2.358 5.310 . . . 1.0 . . . . . . . . . . . . A . 17 C H5 . . . . . . . . . rr_1szy 1 . 1 . 536 . 1 1 17 C H5' H 0.947 2.447 10.861 . . . 1.0 . . . . . . . . . . . . A . 17 C H5' . . . . . . . . . rr_1szy 1 . 1 . 537 . 1 1 17 C H5'' H 2.569 2.615 11.560 . . . 1.0 . . . . . . . . . . . . A . 17 C H5'' . . . . . . . . . rr_1szy 1 . 1 . 538 . 1 1 17 C H6 H 1.545 1.729 7.663 . . . 1.0 . . . . . . . . . . . . A . 17 C H6 . . . . . . . . . rr_1szy 1 . 1 . 539 . 1 1 17 C HO2' H 3.844 -2.642 9.942 . . . 1.0 . . . . . . . . . . . . A . 17 C HO2' . . . . . . . . . rr_1szy 1 . 1 . 540 . 1 1 17 C N1 N 1.929 -0.328 7.277 . . . 1.0 . . . . . . . . . . . . A . 17 C N1 . . . . . . . . . rr_1szy 1 . 1 . 541 . 1 1 17 C N3 N 2.149 -0.970 5.001 . . . 1.0 . . . . . . . . . . . . A . 17 C N3 . . . . . . . . . rr_1szy 1 . 1 . 542 . 1 1 17 C N4 N 1.982 0.599 3.349 . . . 1.0 . . . . . . . . . . . . A . 17 C N4 . . . . . . . . . rr_1szy 1 . 1 . 543 . 1 1 17 C O2 O 2.318 -2.488 6.673 . . . 1.0 . . . . . . . . . . . . A . 17 C O2 . . . . . . . . . rr_1szy 1 . 1 . 544 . 1 1 17 C O2' O 3.314 -1.909 10.256 . . . 1.0 . . . . . . . . . . . . A . 17 C O2' . . . . . . . . . rr_1szy 1 . 1 . 545 . 1 1 17 C O3' O 4.653 0.449 10.847 . . . 1.0 . . . . . . . . . . . . A . 17 C O3' . . . . . . . . . rr_1szy 1 . 1 . 546 . 1 1 17 C O4' O 1.331 0.320 9.457 . . . 1.0 . . . . . . . . . . . . A . 17 C O4' . . . . . . . . . rr_1szy 1 . 1 . 547 . 1 1 17 C O5' O 2.420 3.058 9.547 . . . 1.0 . . . . . . . . . . . . A . 17 C O5' . . . . . . . . . rr_1szy 1 . 1 . 548 . 1 1 17 C OP1 O 2.666 5.290 10.643 . . . 1.0 . . . . . . . . . . . . A . 17 C OP1 . . . . . . . . . rr_1szy 1 . 1 . 549 . 1 1 17 C OP2 O 2.464 5.082 8.091 . . . 1.0 . . . . . . . . . . . . A . 17 C OP2 . . . . . . . . . rr_1szy 1 . 1 . 550 . 1 1 17 C P P 2.090 4.614 9.451 . . . 1.0 . . . . . . . . . . . . A . 17 C P . . . . . . . . . rr_1szy 1 . 1 . 551 . 1 1 18 U C1' C 6.513 -3.691 7.385 . . . 1.0 . . . . . . . . . . . . A . 18 U C1' . . . . . . . . . rr_1szy 1 . 1 . 552 . 1 1 18 U C2 C 6.314 -3.102 5.020 . . . 1.0 . . . . . . . . . . . . A . 18 U C2 . . . . . . . . . rr_1szy 1 . 1 . 553 . 1 1 18 U C2' C 8.016 -3.807 7.647 . . . 1.0 . . . . . . . . . . . . A . 18 U C2' . . . . . . . . . rr_1szy 1 . 1 . 554 . 1 1 18 U C3' C 8.193 -2.824 8.798 . . . 1.0 . . . . . . . . . . . . A . 18 U C3' . . . . . . . . . rr_1szy 1 . 1 . 555 . 1 1 18 U C4 C 5.520 -0.870 4.347 . . . 1.0 . . . . . . . . . . . . A . 18 U C4 . . . . . . . . . rr_1szy 1 . 1 . 556 . 1 1 18 U C4' C 6.922 -3.043 9.604 . . . 1.0 . . . . . . . . . . . . A . 18 U C4' . . . . . . . . . rr_1szy 1 . 1 . 557 . 1 1 18 U C5 C 5.393 -0.549 5.733 . . . 1.0 . . . . . . . . . . . . A . 18 U C5 . . . . . . . . . rr_1szy 1 . 1 . 558 . 1 1 18 U C5' C 6.497 -1.885 10.476 . . . 1.0 . . . . . . . . . . . . A . 18 U C5' . . . . . . . . . rr_1szy 1 . 1 . 559 . 1 1 18 U C6 C 5.708 -1.455 6.662 . . . 1.0 . . . . . . . . . . . . A . 18 U C6 . . . . . . . . . rr_1szy 1 . 1 . 560 . 1 1 18 U H1' H 6.071 -4.650 7.111 . . . 1.0 . . . . . . . . . . . . A . 18 U H1' . . . . . . . . . rr_1szy 1 . 1 . 561 . 1 1 18 U H2' H 8.600 -3.495 6.781 . . . 1.0 . . . . . . . . . . . . A . 18 U H2' . . . . . . . . . rr_1szy 1 . 1 . 562 . 1 1 18 U H3 H 6.080 -2.410 3.124 . . . 1.0 . . . . . . . . . . . . A . 18 U H3 . . . . . . . . . rr_1szy 1 . 1 . 563 . 1 1 18 U H3' H 8.281 -1.794 8.458 . . . 1.0 . . . . . . . . . . . . A . 18 U H3' . . . . . . . . . rr_1szy 1 . 1 . 564 . 1 1 18 U H4' H 7.105 -3.899 10.256 . . . 1.0 . . . . . . . . . . . . A . 18 U H4' . . . . . . . . . rr_1szy 1 . 1 . 565 . 1 1 18 U H5 H 5.035 0.435 6.034 . . . 1.0 . . . . . . . . . . . . A . 18 U H5 . . . . . . . . . rr_1szy 1 . 1 . 566 . 1 1 18 U H5' H 5.454 -2.020 10.766 . . . 1.0 . . . . . . . . . . . . A . 18 U H5' . . . . . . . . . rr_1szy 1 . 1 . 567 . 1 1 18 U H5'' H 7.115 -1.873 11.373 . . . 1.0 . . . . . . . . . . . . A . 18 U H5'' . . . . . . . . . rr_1szy 1 . 1 . 568 . 1 1 18 U H6 H 5.595 -1.188 7.712 . . . 1.0 . . . . . . . . . . . . A . 18 U H6 . . . . . . . . . rr_1szy 1 . 1 . 569 . 1 1 18 U HO2' H 8.926 -5.493 7.419 . . . 1.0 . . . . . . . . . . . . A . 18 U HO2' . . . . . . . . . rr_1szy 1 . 1 . 570 . 1 1 18 U N1 N 6.164 -2.715 6.341 . . . 1.0 . . . . . . . . . . . . A . 18 U N1 . . . . . . . . . rr_1szy 1 . 1 . 571 . 1 1 18 U N3 N 5.979 -2.146 4.094 . . . 1.0 . . . . . . . . . . . . A . 18 U N3 . . . . . . . . . rr_1szy 1 . 1 . 572 . 1 1 18 U O2 O 6.712 -4.207 4.694 . . . 1.0 . . . . . . . . . . . . A . 18 U O2 . . . . . . . . . rr_1szy 1 . 1 . 573 . 1 1 18 U O2' O 8.302 -5.134 8.050 . . . 1.0 . . . . . . . . . . . . A . 18 U O2' . . . . . . . . . rr_1szy 1 . 1 . 574 . 1 1 18 U O3' O 9.355 -3.082 9.580 . . . 1.0 . . . . . . . . . . . . A . 18 U O3' . . . . . . . . . rr_1szy 1 . 1 . 575 . 1 1 18 U O4 O 5.249 -0.125 3.406 . . . 1.0 . . . . . . . . . . . . A . 18 U O4 . . . . . . . . . rr_1szy 1 . 1 . 576 . 1 1 18 U O4' O 5.901 -3.286 8.599 . . . 1.0 . . . . . . . . . . . . A . 18 U O4' . . . . . . . . . rr_1szy 1 . 1 . 577 . 1 1 18 U O5' O 6.645 -0.657 9.769 . . . 1.0 . . . . . . . . . . . . A . 18 U O5' . . . . . . . . . rr_1szy 1 . 1 . 578 . 1 1 18 U OP1 O 6.975 0.948 11.653 . . . 1.0 . . . . . . . . . . . . A . 18 U OP1 . . . . . . . . . rr_1szy 1 . 1 . 579 . 1 1 18 U OP2 O 6.174 1.754 9.350 . . . 1.0 . . . . . . . . . . . . A . 18 U OP2 . . . . . . . . . rr_1szy 1 . 1 . 580 . 1 1 18 U P P 6.180 0.721 10.419 . . . 1.0 . . . . . . . . . . . . A . 18 U P . . . . . . . . . rr_1szy 1 . 1 . 581 . 1 1 19 G C1' C 11.103 -4.463 4.374 . . . 1.0 . . . . . . . . . . . . A . 19 G C1' . . . . . . . . . rr_1szy 1 . 1 . 582 . 1 1 19 G C2 C 10.507 -2.685 0.466 . . . 1.0 . . . . . . . . . . . . A . 19 G C2 . . . . . . . . . rr_1szy 1 . 1 . 583 . 1 1 19 G C2' C 12.626 -4.329 4.381 . . . 1.0 . . . . . . . . . . . . A . 19 G C2' . . . . . . . . . rr_1szy 1 . 1 . 584 . 1 1 19 G C3' C 12.881 -3.969 5.839 . . . 1.0 . . . . . . . . . . . . A . 19 G C3' . . . . . . . . . rr_1szy 1 . 1 . 585 . 1 1 19 G C4 C 10.284 -2.785 2.665 . . . 1.0 . . . . . . . . . . . . A . 19 G C4 . . . . . . . . . rr_1szy 1 . 1 . 586 . 1 1 19 G C4' C 11.866 -4.841 6.558 . . . 1.0 . . . . . . . . . . . . A . 19 G C4' . . . . . . . . . rr_1szy 1 . 1 . 587 . 1 1 19 G C5 C 9.550 -1.622 2.763 . . . 1.0 . . . . . . . . . . . . A . 19 G C5 . . . . . . . . . rr_1szy 1 . 1 . 588 . 1 1 19 G C5' C 11.490 -4.397 7.952 . . . 1.0 . . . . . . . . . . . . A . 19 G C5' . . . . . . . . . rr_1szy 1 . 1 . 589 . 1 1 19 G C6 C 9.246 -0.902 1.578 . . . 1.0 . . . . . . . . . . . . A . 19 G C6 . . . . . . . . . rr_1szy 1 . 1 . 590 . 1 1 19 G C8 C 9.751 -2.345 4.753 . . . 1.0 . . . . . . . . . . . . A . 19 G C8 . . . . . . . . . rr_1szy 1 . 1 . 591 . 1 1 19 G H1 H 9.613 -1.079 -0.441 . . . 1.0 . . . . . . . . . . . . A . 19 G H1 . . . . . . . . . rr_1szy 1 . 1 . 592 . 1 1 19 G H1' H 10.769 -5.280 3.736 . . . 1.0 . . . . . . . . . . . . A . 19 G H1' . . . . . . . . . rr_1szy 1 . 1 . 593 . 1 1 19 G H2' H 12.961 -3.530 3.721 . . . 1.0 . . . . . . . . . . . . A . 19 G H2' . . . . . . . . . rr_1szy 1 . 1 . 594 . 1 1 19 G H21 H 10.743 -2.592 -1.553 . . . 1.0 . . . . . . . . . . . . A . 19 G H21 . . . . . . . . . rr_1szy 1 . 1 . 595 . 1 1 19 G H22 H 11.498 -3.962 -0.762 . . . 1.0 . . . . . . . . . . . . A . 19 G H22 . . . . . . . . . rr_1szy 1 . 1 . 596 . 1 1 19 G H3' H 12.718 -2.912 6.043 . . . 1.0 . . . . . . . . . . . . A . 19 G H3' . . . . . . . . . rr_1szy 1 . 1 . 597 . 1 1 19 G H4' H 12.300 -5.838 6.633 . . . 1.0 . . . . . . . . . . . . A . 19 G H4' . . . . . . . . . rr_1szy 1 . 1 . 598 . 1 1 19 G H5' H 10.569 -4.899 8.253 . . . 1.0 . . . . . . . . . . . . A . 19 G H5' . . . . . . . . . rr_1szy 1 . 1 . 599 . 1 1 19 G H5'' H 12.287 -4.679 8.639 . . . 1.0 . . . . . . . . . . . . A . 19 G H5'' . . . . . . . . . rr_1szy 1 . 1 . 600 . 1 1 19 G H8 H 9.683 -2.439 5.825 . . . 1.0 . . . . . . . . . . . . A . 19 G H8 . . . . . . . . . rr_1szy 1 . 1 . 601 . 1 1 19 G HO2' H 13.700 -5.464 3.250 . . . 1.0 . . . . . . . . . . . . A . 19 G HO2' . . . . . . . . . rr_1szy 1 . 1 . 602 . 1 1 19 G N1 N 9.779 -1.522 0.453 . . . 1.0 . . . . . . . . . . . . A . 19 G N1 . . . . . . . . . rr_1szy 1 . 1 . 603 . 1 1 19 G N2 N 10.951 -3.114 -0.715 . . . 1.0 . . . . . . . . . . . . A . 19 G N2 . . . . . . . . . rr_1szy 1 . 1 . 604 . 1 1 19 G N3 N 10.787 -3.371 1.560 . . . 1.0 . . . . . . . . . . . . A . 19 G N3 . . . . . . . . . rr_1szy 1 . 1 . 605 . 1 1 19 G N7 N 9.221 -1.357 4.085 . . . 1.0 . . . . . . . . . . . . A . 19 G N7 . . . . . . . . . rr_1szy 1 . 1 . 606 . 1 1 19 G N9 N 10.408 -3.248 3.953 . . . 1.0 . . . . . . . . . . . . A . 19 G N9 . . . . . . . . . rr_1szy 1 . 1 . 607 . 1 1 19 G O2' O 13.190 -5.585 4.050 . . . 1.0 . . . . . . . . . . . . A . 19 G O2' . . . . . . . . . rr_1szy 1 . 1 . 608 . 1 1 19 G O3' O 14.213 -4.252 6.256 . . . 1.0 . . . . . . . . . . . . A . 19 G O3' . . . . . . . . . rr_1szy 1 . 1 . 609 . 1 1 19 G O4' O 10.698 -4.778 5.697 . . . 1.0 . . . . . . . . . . . . A . 19 G O4' . . . . . . . . . rr_1szy 1 . 1 . 610 . 1 1 19 G O5' O 11.303 -2.985 7.987 . . . 1.0 . . . . . . . . . . . . A . 19 G O5' . . . . . . . . . rr_1szy 1 . 1 . 611 . 1 1 19 G O6 O 8.600 0.144 1.455 . . . 1.0 . . . . . . . . . . . . A . 19 G O6 . . . . . . . . . rr_1szy 1 . 1 . 612 . 1 1 19 G OP1 O 11.648 -2.513 10.412 . . . 1.0 . . . . . . . . . . . . A . 19 G OP1 . . . . . . . . . rr_1szy 1 . 1 . 613 . 1 1 19 G OP2 O 10.345 -0.881 8.923 . . . 1.0 . . . . . . . . . . . . A . 19 G OP2 . . . . . . . . . rr_1szy 1 . 1 . 614 . 1 1 19 G P P 10.714 -2.274 9.284 . . . 1.0 . . . . . . . . . . . . A . 19 G P . . . . . . . . . rr_1szy 1 . 1 . 615 . 1 1 20 C C1' C 14.957 -2.614 0.804 . . . 1.0 . . . . . . . . . . . . A . 20 C C1' . . . . . . . . . rr_1szy 1 . 1 . 616 . 1 1 20 C C2 C 13.539 -0.681 0.172 . . . 1.0 . . . . . . . . . . . . A . 20 C C2 . . . . . . . . . rr_1szy 1 . 1 . 617 . 1 1 20 C C2' C 16.395 -2.102 0.705 . . . 1.0 . . . . . . . . . . . . A . 20 C C2' . . . . . . . . . rr_1szy 1 . 1 . 618 . 1 1 20 C C3' C 16.919 -2.423 2.099 . . . 1.0 . . . . . . . . . . . . A . 20 C C3' . . . . . . . . . rr_1szy 1 . 1 . 619 . 1 1 20 C C4 C 12.197 0.380 1.752 . . . 1.0 . . . . . . . . . . . . A . 20 C C4 . . . . . . . . . rr_1szy 1 . 1 . 620 . 1 1 20 C C4' C 16.251 -3.758 2.392 . . . 1.0 . . . . . . . . . . . . A . 20 C C4' . . . . . . . . . rr_1szy 1 . 1 . 621 . 1 1 20 C C5 C 12.627 -0.509 2.779 . . . 1.0 . . . . . . . . . . . . A . 20 C C5 . . . . . . . . . rr_1szy 1 . 1 . 622 . 1 1 20 C C5' C 16.113 -4.116 3.853 . . . 1.0 . . . . . . . . . . . . A . 20 C C5' . . . . . . . . . rr_1szy 1 . 1 . 623 . 1 1 20 C C6 C 13.507 -1.460 2.442 . . . 1.0 . . . . . . . . . . . . A . 20 C C6 . . . . . . . . . rr_1szy 1 . 1 . 624 . 1 1 20 C H1' H 14.627 -3.080 -0.122 . . . 1.0 . . . . . . . . . . . . A . 20 C H1' . . . . . . . . . rr_1szy 1 . 1 . 625 . 1 1 20 C H2' H 16.427 -1.030 0.520 . . . 1.0 . . . . . . . . . . . . A . 20 C H2' . . . . . . . . . rr_1szy 1 . 1 . 626 . 1 1 20 C H3' H 16.643 -1.667 2.832 . . . 1.0 . . . . . . . . . . . . A . 20 C H3' . . . . . . . . . rr_1szy 1 . 1 . 627 . 1 1 20 C H4' H 16.861 -4.528 1.918 . . . 1.0 . . . . . . . . . . . . A . 20 C H4' . . . . . . . . . rr_1szy 1 . 1 . 628 . 1 1 20 C H41 H 11.024 1.973 1.297 . . . 1.0 . . . . . . . . . . . . A . 20 C H41 . . . . . . . . . rr_1szy 1 . 1 . 629 . 1 1 20 C H42 H 10.939 1.447 2.958 . . . 1.0 . . . . . . . . . . . . A . 20 C H42 . . . . . . . . . rr_1szy 1 . 1 . 630 . 1 1 20 C H5 H 12.253 -0.420 3.798 . . . 1.0 . . . . . . . . . . . . A . 20 C H5 . . . . . . . . . rr_1szy 1 . 1 . 631 . 1 1 20 C H5' H 15.419 -4.952 3.953 . . . 1.0 . . . . . . . . . . . . A . 20 C H5' . . . . . . . . . rr_1szy 1 . 1 . 632 . 1 1 20 C H5'' H 17.087 -4.416 4.236 . . . 1.0 . . . . . . . . . . . . A . 20 C H5'' . . . . . . . . . rr_1szy 1 . 1 . 633 . 1 1 20 C H6 H 13.850 -2.160 3.202 . . . 1.0 . . . . . . . . . . . . A . 20 C H6 . . . . . . . . . rr_1szy 1 . 1 . 634 . 1 1 20 C HO2' H 17.337 -2.231 -0.971 . . . 1.0 . . . . . . . . . . . . A . 20 C HO2' . . . . . . . . . rr_1szy 1 . 1 . 635 . 1 1 20 C N1 N 13.978 -1.569 1.163 . . . 1.0 . . . . . . . . . . . . A . 20 C N1 . . . . . . . . . rr_1szy 1 . 1 . 636 . 1 1 20 C N3 N 12.648 0.284 0.499 . . . 1.0 . . . . . . . . . . . . A . 20 C N3 . . . . . . . . . rr_1szy 1 . 1 . 637 . 1 1 20 C N4 N 11.313 1.340 2.027 . . . 1.0 . . . . . . . . . . . . A . 20 C N4 . . . . . . . . . rr_1szy 1 . 1 . 638 . 1 1 20 C O2 O 13.978 -0.800 -0.981 . . . 1.0 . . . . . . . . . . . . A . 20 C O2 . . . . . . . . . rr_1szy 1 . 1 . 639 . 1 1 20 C O2' O 17.072 -2.849 -0.289 . . . 1.0 . . . . . . . . . . . . A . 20 C O2' . . . . . . . . . rr_1szy 1 . 1 . 640 . 1 1 20 C O3' O 18.339 -2.515 2.146 . . . 1.0 . . . . . . . . . . . . A . 20 C O3' . . . . . . . . . rr_1szy 1 . 1 . 641 . 1 1 20 C O4' O 14.930 -3.620 1.804 . . . 1.0 . . . . . . . . . . . . A . 20 C O4' . . . . . . . . . rr_1szy 1 . 1 . 642 . 1 1 20 C O5' O 15.628 -2.997 4.591 . . . 1.0 . . . . . . . . . . . . A . 20 C O5' . . . . . . . . . rr_1szy 1 . 1 . 643 . 1 1 20 C OP1 O 16.572 -3.612 6.816 . . . 1.0 . . . . . . . . . . . . A . 20 C OP1 . . . . . . . . . rr_1szy 1 . 1 . 644 . 1 1 20 C OP2 O 14.734 -1.833 6.604 . . . 1.0 . . . . . . . . . . . . A . 20 C OP2 . . . . . . . . . rr_1szy 1 . 1 . 645 . 1 1 20 C P P 15.340 -3.111 6.154 . . . 1.0 . . . . . . . . . . . . A . 20 C P . . . . . . . . . rr_1szy 1 . 1 . 646 . 1 1 21 C C1' C 17.637 1.500 -1.846 . . . 1.0 . . . . . . . . . . . . A . 21 C C1' . . . . . . . . . rr_1szy 1 . 1 . 647 . 1 1 21 C C2 C 15.825 3.087 -1.266 . . . 1.0 . . . . . . . . . . . . A . 21 C C2 . . . . . . . . . rr_1szy 1 . 1 . 648 . 1 1 21 C C2' C 18.917 2.339 -1.881 . . . 1.0 . . . . . . . . . . . . A . 21 C C2' . . . . . . . . . rr_1szy 1 . 1 . 649 . 1 1 21 C C3' C 19.821 1.557 -0.935 . . . 1.0 . . . . . . . . . . . . A . 21 C C3' . . . . . . . . . rr_1szy 1 . 1 . 650 . 1 1 21 C C4 C 14.755 2.971 0.798 . . . 1.0 . . . . . . . . . . . . A . 21 C C4 . . . . . . . . . rr_1szy 1 . 1 . 651 . 1 1 21 C C4' C 19.420 0.116 -1.214 . . . 1.0 . . . . . . . . . . . . A . 21 C C4' . . . . . . . . . rr_1szy 1 . 1 . 652 . 1 1 21 C C5 C 15.546 1.857 1.196 . . . 1.0 . . . . . . . . . . . . A . 21 C C5 . . . . . . . . . rr_1szy 1 . 1 . 653 . 1 1 21 C C5' C 19.670 -0.859 -0.087 . . . 1.0 . . . . . . . . . . . . A . 21 C C5' . . . . . . . . . rr_1szy 1 . 1 . 654 . 1 1 21 C C6 C 16.460 1.407 0.326 . . . 1.0 . . . . . . . . . . . . A . 21 C C6 . . . . . . . . . rr_1szy 1 . 1 . 655 . 1 1 21 C H1' H 17.171 1.428 -2.828 . . . 1.0 . . . . . . . . . . . . A . 21 C H1' . . . . . . . . . rr_1szy 1 . 1 . 656 . 1 1 21 C H2' H 18.748 3.350 -1.503 . . . 1.0 . . . . . . . . . . . . A . 21 C H2' . . . . . . . . . rr_1szy 1 . 1 . 657 . 1 1 21 C H3' H 19.660 1.822 0.109 . . . 1.0 . . . . . . . . . . . . A . 21 C H3' . . . . . . . . . rr_1szy 1 . 1 . 658 . 1 1 21 C H4' H 20.003 -0.215 -2.074 . . . 1.0 . . . . . . . . . . . . A . 21 C H4' . . . . . . . . . rr_1szy 1 . 1 . 659 . 1 1 21 C H41 H 13.285 4.263 1.346 . . . 1.0 . . . . . . . . . . . . A . 21 C H41 . . . . . . . . . rr_1szy 1 . 1 . 660 . 1 1 21 C H42 H 13.699 3.055 2.540 . . . 1.0 . . . . . . . . . . . . A . 21 C H42 . . . . . . . . . rr_1szy 1 . 1 . 661 . 1 1 21 C H5 H 15.409 1.385 2.168 . . . 1.0 . . . . . . . . . . . . A . 21 C H5 . . . . . . . . . rr_1szy 1 . 1 . 662 . 1 1 21 C H5' H 19.195 -1.812 -0.326 . . . 1.0 . . . . . . . . . . . . A . 21 C H5' . . . . . . . . . rr_1szy 1 . 1 . 663 . 1 1 21 C H5'' H 20.743 -1.014 0.015 . . . 1.0 . . . . . . . . . . . . A . 21 C H5'' . . . . . . . . . rr_1szy 1 . 1 . 664 . 1 1 21 C H6 H 17.082 0.555 0.601 . . . 1.0 . . . . . . . . . . . . A . 21 C H6 . . . . . . . . . rr_1szy 1 . 1 . 665 . 1 1 21 C HO2' H 19.314 3.209 -3.562 . . . 1.0 . . . . . . . . . . . . A . 21 C HO2' . . . . . . . . . rr_1szy 1 . 1 . 666 . 1 1 21 C HO3' H 21.297 1.922 -2.139 . . . 1.0 . . . . . . . . . . . . A . 21 C HO3' . . . . . . . . . rr_1szy 1 . 1 . 667 . 1 1 21 C N1 N 16.622 1.996 -0.898 . . . 1.0 . . . . . . . . . . . . A . 21 C N1 . . . . . . . . . rr_1szy 1 . 1 . 668 . 1 1 21 C N3 N 14.899 3.552 -0.395 . . . 1.0 . . . . . . . . . . . . A . 21 C N3 . . . . . . . . . rr_1szy 1 . 1 . 669 . 1 1 21 C N4 N 13.837 3.467 1.628 . . . 1.0 . . . . . . . . . . . . A . 21 C N4 . . . . . . . . . rr_1szy 1 . 1 . 670 . 1 1 21 C O2 O 15.986 3.601 -2.383 . . . 1.0 . . . . . . . . . . . . A . 21 C O2 . . . . . . . . . rr_1szy 1 . 1 . 671 . 1 1 21 C O2' O 19.430 2.329 -3.201 . . . 1.0 . . . . . . . . . . . . A . 21 C O2' . . . . . . . . . rr_1szy 1 . 1 . 672 . 1 1 21 C O3' O 21.207 1.795 -1.191 . . . 1.0 . . . . . . . . . . . . A . 21 C O3' . . . . . . . . . rr_1szy 1 . 1 . 673 . 1 1 21 C O4' O 17.994 0.182 -1.469 . . . 1.0 . . . . . . . . . . . . A . 21 C O4' . . . . . . . . . rr_1szy 1 . 1 . 674 . 1 1 21 C O5' O 19.138 -0.350 1.133 . . . 1.0 . . . . . . . . . . . . A . 21 C O5' . . . . . . . . . rr_1szy 1 . 1 . 675 . 1 1 21 C OP1 O 20.620 -1.624 2.684 . . . 1.0 . . . . . . . . . . . . A . 21 C OP1 . . . . . . . . . rr_1szy 1 . 1 . 676 . 1 1 21 C OP2 O 18.505 -0.448 3.541 . . . 1.0 . . . . . . . . . . . . A . 21 C OP2 . . . . . . . . . rr_1szy 1 . 1 . 677 . 1 1 21 C P P 19.211 -1.205 2.475 . . . 1.0 . . . . . . . . . . . . A . 21 C P . . . . . . . . . rr_1szy 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_1szy _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 1szy.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 rr_1szy 1 1 1szy.mr . . XPLOR/CNS 2 'molecular system' 'Not applicable' 'Not applicable' 0 rr_1szy 1 1 1szy.mr . . XPLOR/CNS 3 'molecular system' 'Not applicable' 'Not applicable' 0 rr_1szy 1 1 1szy.mr . . XPLOR/CNS 4 'molecular system' 'Not applicable' 'Not applicable' 0 rr_1szy 1 1 1szy.mr . . XPLOR/CNS 5 'molecular system' 'Not applicable' 'Not applicable' 0 rr_1szy 1 1 1szy.mr . . n/a 6 comment 'Not applicable' 'Not applicable' 0 rr_1szy 1 1 1szy.mr . . XPLOR/CNS 7 protocol 'structure calculation' 'Not applicable' 0 rr_1szy 1 1 1szy.mr . . XPLOR/CNS 8 distance 'hydrogen bond' simple 20 rr_1szy 1 1 1szy.mr . . XPLOR/CNS 9 protocol 'structure calculation' 'Not applicable' 0 rr_1szy 1 1 1szy.mr . . shell 10 protocol 'structure calculation' 'Not applicable' 0 rr_1szy 1 1 1szy.mr . . n/a 11 comment 'Not applicable' 'Not applicable' 0 rr_1szy 1 1 1szy.mr . . XPLOR/CNS 12 comment 'Not applicable' 'Not applicable' 0 rr_1szy 1 1 1szy.mr . . n/a 13 comment 'Not applicable' 'Not applicable' 0 rr_1szy 1 1 1szy.mr . . XPLOR/CNS 14 'dihedral angle' 'Not applicable' 'Not applicable' 203 rr_1szy 1 1 1szy.mr . . XPLOR/CNS 15 'molecular system' 'Not applicable' 'Not applicable' 0 rr_1szy 1 1 1szy.mr . . XPLOR/CNS 16 protocol 'structure calculation' 'Not applicable' 0 rr_1szy 1 1 1szy.mr . . shell 17 protocol 'structure calculation' 'Not applicable' 0 rr_1szy 1 1 1szy.mr . . n/a 18 comment 'Not applicable' 'Not applicable' 0 rr_1szy 1 1 1szy.mr . . XPLOR/CNS 19 distance NOE simple 1039 rr_1szy 1 1 1szy.mr . . XPLOR/CNS 20 planarity 'Not applicable' 'Not applicable' 0 rr_1szy 1 1 1szy.mr . . n/a 21 protocol 'structure calculation' 'Not applicable' 0 rr_1szy 1 1 1szy.mr . . XPLOR/CNS 22 protocol 'structure calculation' 'Not applicable' 0 rr_1szy 1 1 1szy.mr . . shell 23 protocol 'structure calculation' 'Not applicable' 0 rr_1szy 1 1 1szy.mr . . n/a 24 comment 'Not applicable' 'Not applicable' 0 rr_1szy 1 1 1szy.mr . . XPLOR/CNS 25 'molecular system' 'Not applicable' 'Not applicable' 0 rr_1szy 1 1 1szy.mr . . n/a 26 comment 'Not applicable' 'Not applicable' 0 rr_1szy 1 1 1szy.mr . . 'MR format' 27 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 rr_1szy 1 stop_ save_ save_CNS/XPLOR_distance_constraints_19 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_19 _Gen_dist_constraint_list.Entry_ID rr_1szy _Gen_dist_constraint_list.ID 2 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 19 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_1szy 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 7 7 G H8 H . . . 1 1 8 8 C H6 H . . . . . 4.000 3.000 5.000 . . . . . A . 7 G H8 . . A . 8 C H6 . . . 7 . H8 . . . . . 8 . H6 . . rr_1szy 1 2 1 . . 1 1 7 7 G H8 H . . . 1 1 8 8 C H5 H . . . . . 3.000 2.000 4.000 . . . . . A . 7 G H8 . . A . 8 C H5 . . . 7 . H8 . . . . . 8 . H5 . . rr_1szy 1 3 1 . . 1 1 8 8 C H6 H . . . 1 1 7 7 G H1' H . . . . . 4.000 3.000 5.000 . . . . . A . 8 C H6 . . A . 7 G H1' . . . 8 . H6 . . . . . 7 . H1' . . rr_1szy 1 4 1 . . 1 1 8 8 C H6 H . . . 1 1 7 7 G H2' H . . . . . 2.400 1.800 3.000 . . . . . A . 8 C H6 . . A . 7 G H2' . . . 8 . H6 . . . . . 7 . H2' . . rr_1szy 1 5 1 . . 1 1 7 7 G H2' H . . . 1 1 8 8 C H1' H . . . . . 4.000 3.000 5.000 . . . . . A . 7 G H2' . . A . 8 C H1' . . . 7 . H2' . . . . . 8 . H1' . . rr_1szy 1 6 1 . . 1 1 8 8 C H5 H . . . 1 1 7 7 G H2' H . . . . . 2.400 1.800 3.000 . . . . . A . 8 C H5 . . A . 7 G H2' . . . 8 . H5 . . . . . 7 . H2' . . rr_1szy 1 7 1 . . 1 1 8 8 C H6 H . . . 1 1 7 7 G H3' H . . . . . 3.000 2.000 4.000 . . . . . A . 8 C H6 . . A . 7 G H3' . . . 8 . H6 . . . . . 7 . H3' . . rr_1szy 1 8 1 . . 1 1 8 8 C H5 H . . . 1 1 7 7 G H3' H . . . . . 2.400 1.800 3.000 . . . . . A . 8 C H5 . . A . 7 G H3' . . . 8 . H5 . . . . . 7 . H3' . . rr_1szy 1 9 1 . . 1 1 8 8 C H6 H . . . 1 1 8 8 C H1' H . . . . . 3.000 2.000 4.000 . . . . . A . 8 C H6 . . A . 8 C H1' . . . 8 . H6 . . . . . 8 . H1' . . rr_1szy 1 10 1 . . 1 1 8 8 C H6 H . . . 1 1 8 8 C H5 H . . . . . 2.400 1.800 3.000 . . . . . A . 8 C H6 . . A . 8 C H5 . . . 8 . H6 . . . . . 8 . H5 . . rr_1szy 1 11 1 . . 1 1 8 8 C H6 H . . . 1 1 8 8 C H2' H . . . . . 3.000 2.000 4.000 . . . . . A . 8 C H6 . . A . 8 C H2' . . . 8 . H6 . . . . . 8 . H2' . . rr_1szy 1 12 1 . . 1 1 8 8 C H6 H . . . 1 1 8 8 C H3' H . . . . . 3.000 2.000 4.000 . . . . . A . 8 C H6 . . A . 8 C H3' . . . 8 . H6 . . . . . 8 . H3' . . rr_1szy 1 13 1 . . 1 1 8 8 C H6 H . . . 1 1 8 8 C H4' H . . . . . 3.000 2.000 4.000 . . . . . A . 8 C H6 . . A . 8 C H4' . . . 8 . H6 . . . . . 8 . H4' . . rr_1szy 1 14 1 . . 1 1 8 8 C H6 H . . . 1 1 8 8 C H5' H . . . . . 4.000 1.200 6.800 . . . . . A . 8 C H6 . . A . 8 C H5' . . . 8 . H6 . . . . . 8 . H5' . . rr_1szy 1 15 1 . . 1 1 8 8 C H1' H . . . 1 1 8 8 C H2' H . . . . . 2.400 1.800 3.000 . . . . . A . 8 C H1' . . A . 8 C H2' . . . 8 . H1' . . . . . 8 . H2' . . rr_1szy 1 16 1 . . 1 1 8 8 C H1' H . . . 1 1 8 8 C H3' H . . . . . 4.000 3.000 5.000 . . . . . A . 8 C H1' . . A . 8 C H3' . . . 8 . H1' . . . . . 8 . H3' . . rr_1szy 1 17 1 . . 1 1 8 8 C H1' H . . . 1 1 8 8 C H4' H . . . . . 4.000 3.000 5.000 . . . . . A . 8 C H1' . . A . 8 C H4' . . . 8 . H1' . . . . . 8 . H4' . . rr_1szy 1 18 1 . . 1 1 8 8 C H1' H . . . 1 1 8 8 C H5' H . . . . . 4.000 1.200 6.800 . . . . . A . 8 C H1' . . A . 8 C H5' . . . 8 . H1' . . . . . 8 . H5' . . rr_1szy 1 19 1 . . 1 1 8 8 C H1' H . . . 1 1 9 9 U H6 H . . . . . 4.000 3.000 5.000 . . . . . A . 8 C H1' . . A . 9 U H6 . . . 8 . H1' . . . . . 9 . H6 . . rr_1szy 1 20 1 . . 1 1 8 8 C H5 H . . . 1 1 8 8 C H3' H . . . . . 4.000 3.000 5.000 . . . . . A . 8 C H5 . . A . 8 C H3' . . . 8 . H5 . . . . . 8 . H3' . . rr_1szy 1 21 1 . . 1 1 8 8 C H5 H . . . 1 1 9 9 U H5 H . . . . . 4.000 3.000 5.000 . . . . . A . 8 C H5 . . A . 9 U H5 . . . 8 . H5 . . . . . 9 . H5 . . rr_1szy 1 22 1 . . 1 1 8 8 C H2' H . . . 1 1 9 9 U H6 H . . . . . 2.400 1.800 3.000 . . . . . A . 8 C H2' . . A . 9 U H6 . . . 8 . H2' . . . . . 9 . H6 . . rr_1szy 1 23 1 . . 1 1 8 8 C H2' H . . . 1 1 9 9 U H1' H . . . . . 4.000 3.000 5.000 . . . . . A . 8 C H2' . . A . 9 U H1' . . . 8 . H2' . . . . . 9 . H1' . . rr_1szy 1 24 1 . . 1 1 8 8 C H2' H . . . 1 1 9 9 U H5 H . . . . . 4.000 3.000 5.000 . . . . . A . 8 C H2' . . A . 9 U H5 . . . 8 . H2' . . . . . 9 . H5 . . rr_1szy 1 25 1 . . 1 1 8 8 C H3' H . . . 1 1 9 9 U H6 H . . . . . 3.000 2.000 4.000 . . . . . A . 8 C H3' . . A . 9 U H6 . . . 8 . H3' . . . . . 9 . H6 . . rr_1szy 1 26 1 . . 1 1 8 8 C H3' H . . . 1 1 9 9 U H5 H . . . . . 4.000 3.000 5.000 . . . . . A . 8 C H3' . . A . 9 U H5 . . . 8 . H3' . . . . . 9 . H5 . . rr_1szy 1 27 1 . . 1 1 8 8 C H5' H . . . 1 1 9 9 U H6 H . . . . . 4.000 1.200 6.800 . . . . . A . 8 C H5' . . A . 9 U H6 . . . 8 . H5' . . . . . 9 . H6 . . rr_1szy 1 28 1 . . 1 1 9 9 U H6 H . . . 1 1 9 9 U H1' H . . . . . 3.000 2.000 4.000 . . . . . A . 9 U H6 . . A . 9 U H1' . . . 9 . H6 . . . . . 9 . H1' . . rr_1szy 1 29 1 . . 1 1 9 9 U H6 H . . . 1 1 9 9 U H5 H . . . . . 2.400 1.800 3.000 . . . . . A . 9 U H6 . . A . 9 U H5 . . . 9 . H6 . . . . . 9 . H5 . . rr_1szy 1 30 1 . . 1 1 9 9 U H6 H . . . 1 1 9 9 U H2' H . . . . . 3.000 2.000 4.000 . . . . . A . 9 U H6 . . A . 9 U H2' . . . 9 . H6 . . . . . 9 . H2' . . rr_1szy 1 31 1 . . 1 1 9 9 U H6 H . . . 1 1 9 9 U H3' H . . . . . 4.000 3.000 5.000 . . . . . A . 9 U H6 . . A . 9 U H3' . . . 9 . H6 . . . . . 9 . H3' . . rr_1szy 1 32 1 . . 1 1 9 9 U H6 H . . . 1 1 9 9 U H4' H . . . . . 4.000 3.000 5.000 . . . . . A . 9 U H6 . . A . 9 U H4' . . . 9 . H6 . . . . . 9 . H4' . . rr_1szy 1 33 1 . . 1 1 9 9 U H1' H . . . 1 1 9 9 U H2' H . . . . . 2.400 1.800 3.000 . . . . . A . 9 U H1' . . A . 9 U H2' . . . 9 . H1' . . . . . 9 . H2' . . rr_1szy 1 34 1 . . 1 1 9 9 U H1' H . . . 1 1 9 9 U H3' H . . . . . 4.000 3.000 5.000 . . . . . A . 9 U H1' . . A . 9 U H3' . . . 9 . H1' . . . . . 9 . H3' . . rr_1szy 1 35 1 . . 1 1 9 9 U H1' H . . . 1 1 9 9 U H4' H . . . . . 3.000 2.000 4.000 . . . . . A . 9 U H1' . . A . 9 U H4' . . . 9 . H1' . . . . . 9 . H4' . . rr_1szy 1 36 1 . . 1 1 9 9 U H1' H . . . 1 1 9 9 U H5'' H . . . . . 3.000 0.200 5.800 . . . . . A . 9 U H1' . . A . 9 U H5'' . . . 9 . H1' . . . . . 9 . H5'' . . rr_1szy 1 37 1 . . 1 1 9 9 U H1' H . . . 1 1 10 10 C H2' H . . . . . 4.000 3.000 5.000 . . . . . A . 9 U H1' . . A . 10 C H2' . . . 9 . H1' . . . . . 10 . H2' . . rr_1szy 1 38 1 . . 1 1 9 9 U H1' H . . . 1 1 11 11 A H8 H . . . . . 3.000 2.000 4.000 . . . . . A . 9 U H1' . . A . 11 A H8 . . . 9 . H1' . . . . . 11 . H8 . . rr_1szy 1 39 1 . . 1 1 9 9 U H2' H . . . 1 1 10 10 C H6 H . . . . . 4.000 3.000 5.000 . . . . . A . 9 U H2' . . A . 10 C H6 . . . 9 . H2' . . . . . 10 . H6 . . rr_1szy 1 40 1 . . 1 1 9 9 U H2' H . . . 1 1 11 11 A H8 H . . . . . 3.000 2.000 4.000 . . . . . A . 9 U H2' . . A . 11 A H8 . . . 9 . H2' . . . . . 11 . H8 . . rr_1szy 1 41 1 . . 1 1 10 10 C H6 H . . . 1 1 10 10 C H1' H . . . . . 3.000 2.000 4.000 . . . . . A . 10 C H6 . . A . 10 C H1' . . . 10 . H6 . . . . . 10 . H1' . . rr_1szy 1 42 1 . . 1 1 10 10 C H6 H . . . 1 1 10 10 C H5 H . . . . . 2.400 1.800 3.000 . . . . . A . 10 C H6 . . A . 10 C H5 . . . 10 . H6 . . . . . 10 . H5 . . rr_1szy 1 43 1 . . 1 1 10 10 C H2' H . . . 1 1 10 10 C H6 H . . . . . 3.000 2.000 4.000 . . . . . A . 10 C H2' . . A . 10 C H6 . . . 10 . H2' . . . . . 10 . H6 . . rr_1szy 1 44 1 . . 1 1 10 10 C H6 H . . . 1 1 10 10 C H3' H . . . . . 3.000 2.000 4.000 . . . . . A . 10 C H6 . . A . 10 C H3' . . . 10 . H6 . . . . . 10 . H3' . . rr_1szy 1 45 1 . . 1 1 10 10 C H6 H . . . 1 1 10 10 C H4' H . . . . . 4.000 3.000 5.000 . . . . . A . 10 C H6 . . A . 10 C H4' . . . 10 . H6 . . . . . 10 . H4' . . rr_1szy 1 46 1 . . 1 1 10 10 C H6 H . . . 1 1 10 10 C H5' H . . . . . 4.000 1.200 6.800 . . . . . A . 10 C H6 . . A . 10 C H5' . . . 10 . H6 . . . . . 10 . H5' . . rr_1szy 1 47 1 . . 1 1 11 11 A H8 H . . . 1 1 10 10 C H6 H . . . . . 4.000 3.000 5.000 . . . . . A . 11 A H8 . . A . 10 C H6 . . . 11 . H8 . . . . . 10 . H6 . . rr_1szy 1 48 1 . . 1 1 10 10 C H2' H . . . 1 1 10 10 C H1' H . . . . . 2.400 1.800 3.000 . . . . . A . 10 C H2' . . A . 10 C H1' . . . 10 . H2' . . . . . 10 . H1' . . rr_1szy 1 49 1 . . 1 1 10 10 C H1' H . . . 1 1 10 10 C H4' H . . . . . 3.000 2.000 4.000 . . . . . A . 10 C H1' . . A . 10 C H4' . . . 10 . H1' . . . . . 10 . H4' . . rr_1szy 1 50 1 . . 1 1 10 10 C H1' H . . . 1 1 10 10 C H5' H . . . . . 4.000 1.200 6.800 . . . . . A . 10 C H1' . . A . 10 C H5' . . . 10 . H1' . . . . . 10 . H5' . . rr_1szy 1 51 1 . . 1 1 11 11 A H8 H . . . 1 1 10 10 C H1' H . . . . . 4.000 3.000 5.000 . . . . . A . 11 A H8 . . A . 10 C H1' . . . 11 . H8 . . . . . 10 . H1' . . rr_1szy 1 52 1 . . 1 1 10 10 C H2' H . . . 1 1 11 11 A H8 H . . . . . 2.400 1.800 3.000 . . . . . A . 10 C H2' . . A . 11 A H8 . . . 10 . H2' . . . . . 11 . H8 . . rr_1szy 1 53 1 . . 1 1 11 11 A H8 H . . . 1 1 10 10 C H3' H . . . . . 2.400 1.800 3.000 . . . . . A . 11 A H8 . . A . 10 C H3' . . . 11 . H8 . . . . . 10 . H3' . . rr_1szy 1 54 1 . . 1 1 11 11 A H8 H . . . 1 1 10 10 C H4' H . . . . . 4.000 3.000 5.000 . . . . . A . 11 A H8 . . A . 10 C H4' . . . 11 . H8 . . . . . 10 . H4' . . rr_1szy 1 55 1 . . 1 1 11 11 A H8 H . . . 1 1 10 10 C H5' H . . . . . 4.000 1.200 6.800 . . . . . A . 11 A H8 . . A . 10 C H5' . . . 11 . H8 . . . . . 10 . H5' . . rr_1szy 1 56 1 . . 1 1 11 11 A H2 H . . . 1 1 12 12 U H1' H . . . . . 4.000 3.000 5.000 . . . . . A . 11 A H2 . . A . 12 U H1' . . . 11 . H2 . . . . . 12 . H1' . . rr_1szy 1 57 1 . . 1 1 11 11 A H8 H . . . 1 1 11 11 A H1' H . . . . . 3.000 2.000 4.000 . . . . . A . 11 A H8 . . A . 11 A H1' . . . 11 . H8 . . . . . 11 . H1' . . rr_1szy 1 58 1 . . 1 1 11 11 A H8 H . . . 1 1 11 11 A H2' H . . . . . 3.000 2.000 4.000 . . . . . A . 11 A H8 . . A . 11 A H2' . . . 11 . H8 . . . . . 11 . H2' . . rr_1szy 1 59 1 . . 1 1 11 11 A H8 H . . . 1 1 11 11 A H3' H . . . . . 2.400 1.800 3.000 . . . . . A . 11 A H8 . . A . 11 A H3' . . . 11 . H8 . . . . . 11 . H3' . . rr_1szy 1 60 1 . . 1 1 11 11 A H8 H . . . 1 1 11 11 A H5' H . . . . . 4.000 1.200 6.800 . . . . . A . 11 A H8 . . A . 11 A H5' . . . 11 . H8 . . . . . 11 . H5' . . rr_1szy 1 61 1 . . 1 1 11 11 A H8 H . . . 1 1 12 12 U H6 H . . . . . 4.000 3.000 5.000 . . . . . A . 11 A H8 . . A . 12 U H6 . . . 11 . H8 . . . . . 12 . H6 . . rr_1szy 1 62 1 . . 1 1 11 11 A H1' H . . . 1 1 11 11 A H2' H . . . . . 3.000 2.000 4.000 . . . . . A . 11 A H1' . . A . 11 A H2' . . . 11 . H1' . . . . . 11 . H2' . . rr_1szy 1 63 1 . . 1 1 11 11 A H1' H . . . 1 1 11 11 A H3' H . . . . . 4.000 3.000 5.000 . . . . . A . 11 A H1' . . A . 11 A H3' . . . 11 . H1' . . . . . 11 . H3' . . rr_1szy 1 64 1 . . 1 1 11 11 A H1' H . . . 1 1 11 11 A H4' H . . . . . 3.000 2.000 4.000 . . . . . A . 11 A H1' . . A . 11 A H4' . . . 11 . H1' . . . . . 11 . H4' . . rr_1szy 1 65 1 . . 1 1 11 11 A H2' H . . . 1 1 11 11 A H3' H . . . . . 3.000 2.000 4.000 . . . . . A . 11 A H2' . . A . 11 A H3' . . . 11 . H2' . . . . . 11 . H3' . . rr_1szy 1 66 1 . . 1 1 11 11 A H2' H . . . 1 1 12 12 U H6 H . . . . . 3.000 2.000 4.000 . . . . . A . 11 A H2' . . A . 12 U H6 . . . 11 . H2' . . . . . 12 . H6 . . rr_1szy 1 67 1 . . 1 1 11 11 A H3' H . . . 1 1 11 11 A H4' H . . . . . 4.000 3.000 5.000 . . . . . A . 11 A H3' . . A . 11 A H4' . . . 11 . H3' . . . . . 11 . H4' . . rr_1szy 1 68 1 . . 1 1 11 11 A H3' H . . . 1 1 11 11 A H5' H . . . . . 4.000 1.200 6.800 . . . . . A . 11 A H3' . . A . 11 A H5' . . . 11 . H3' . . . . . 11 . H5' . . rr_1szy 1 69 1 . . 1 1 11 11 A H3' H . . . 1 1 11 11 A H5'' H . . . . . 4.000 1.200 6.800 . . . . . A . 11 A H3' . . A . 11 A H5'' . . . 11 . H3' . . . . . 11 . H5'' . . rr_1szy 1 70 1 . . 1 1 11 11 A H3' H . . . 1 1 12 12 U H6 H . . . . . 4.000 3.000 5.000 . . . . . A . 11 A H3' . . A . 12 U H6 . . . 11 . H3' . . . . . 12 . H6 . . rr_1szy 1 71 1 . . 1 1 11 11 A H3' H . . . 1 1 12 12 U H5'' H . . . . . 4.000 1.200 6.800 . . . . . A . 11 A H3' . . A . 12 U H5'' . . . 11 . H3' . . . . . 12 . H5'' . . rr_1szy 1 72 1 . . 1 1 12 12 U H1' H . . . 1 1 12 12 U H6 H . . . . . 3.000 2.000 4.000 . . . . . A . 12 U H1' . . A . 12 U H6 . . . 12 . H1' . . . . . 12 . H6 . . rr_1szy 1 73 1 . . 1 1 12 12 U H6 H . . . 1 1 12 12 U H5 H . . . . . 2.400 1.800 3.000 . . . . . A . 12 U H6 . . A . 12 U H5 . . . 12 . H6 . . . . . 12 . H5 . . rr_1szy 1 74 1 . . 1 1 12 12 U H6 H . . . 1 1 12 12 U H2' H . . . . . 2.400 1.800 3.000 . . . . . A . 12 U H6 . . A . 12 U H2' . . . 12 . H6 . . . . . 12 . H2' . . rr_1szy 1 75 1 . . 1 1 12 12 U H6 H . . . 1 1 12 12 U H3' H . . . . . 3.000 2.000 4.000 . . . . . A . 12 U H6 . . A . 12 U H3' . . . 12 . H6 . . . . . 12 . H3' . . rr_1szy 1 76 1 . . 1 1 12 12 U H6 H . . . 1 1 12 12 U H5' H . . . . . 4.000 1.200 6.800 . . . . . A . 12 U H6 . . A . 12 U H5' . . . 12 . H6 . . . . . 12 . H5' . . rr_1szy 1 77 1 . . 1 1 12 12 U H6 H . . . 1 1 12 12 U H5'' H . . . . . 4.000 1.200 6.800 . . . . . A . 12 U H6 . . A . 12 U H5'' . . . 12 . H6 . . . . . 12 . H5'' . . rr_1szy 1 78 1 . . 1 1 12 12 U H1' H . . . 1 1 12 12 U H2' H . . . . . 2.400 1.800 3.000 . . . . . A . 12 U H1' . . A . 12 U H2' . . . 12 . H1' . . . . . 12 . H2' . . rr_1szy 1 79 1 . . 1 1 12 12 U H1' H . . . 1 1 12 12 U H3' H . . . . . 4.000 3.000 5.000 . . . . . A . 12 U H1' . . A . 12 U H3' . . . 12 . H1' . . . . . 12 . H3' . . rr_1szy 1 80 1 . . 1 1 12 12 U H1' H . . . 1 1 12 12 U H4' H . . . . . 4.000 3.000 5.000 . . . . . A . 12 U H1' . . A . 12 U H4' . . . 12 . H1' . . . . . 12 . H4' . . rr_1szy 1 81 1 . . 1 1 12 12 U H1' H . . . 1 1 12 12 U H5' H . . . . . 4.000 1.200 6.800 . . . . . A . 12 U H1' . . A . 12 U H5' . . . 12 . H1' . . . . . 12 . H5' . . rr_1szy 1 82 1 . . 1 1 12 12 U H1' H . . . 1 1 12 12 U H5'' H . . . . . 4.000 1.200 6.800 . . . . . A . 12 U H1' . . A . 12 U H5'' . . . 12 . H1' . . . . . 12 . H5'' . . rr_1szy 1 83 1 . . 1 1 12 12 U H2' H . . . 1 1 13 13 A H8 H . . . . . 4.000 3.000 5.000 . . . . . A . 12 U H2' . . A . 13 A H8 . . . 12 . H2' . . . . . 13 . H8 . . rr_1szy 1 84 1 . . 1 1 12 12 U H2' H . . . 1 1 13 13 A H1' H . . . . . 4.000 3.000 5.000 . . . . . A . 12 U H2' . . A . 13 A H1' . . . 12 . H2' . . . . . 13 . H1' . . rr_1szy 1 85 1 . . 1 1 12 12 U H3' H . . . 1 1 13 13 A H8 H . . . . . 2.400 1.800 3.000 . . . . . A . 12 U H3' . . A . 13 A H8 . . . 12 . H3' . . . . . 13 . H8 . . rr_1szy 1 86 1 . . 1 1 12 12 U H4' H . . . 1 1 13 13 A H8 H . . . . . 4.000 3.000 5.000 . . . . . A . 12 U H4' . . A . 13 A H8 . . . 12 . H4' . . . . . 13 . H8 . . rr_1szy 1 87 1 . . 1 1 13 13 A H2 H . . . 1 1 13 13 A H2' H . . . . . 4.000 3.000 5.000 . . . . . A . 13 A H2 . . A . 13 A H2' . . . 13 . H2 . . . . . 13 . H2' . . rr_1szy 1 88 1 . . 1 1 13 13 A H2 H . . . 1 1 14 14 A H1' H . . . . . 2.400 1.800 3.000 . . . . . A . 13 A H2 . . A . 14 A H1' . . . 13 . H2 . . . . . 14 . H1' . . rr_1szy 1 89 1 . . 1 1 13 13 A H8 H . . . 1 1 13 13 A H1' H . . . . . 3.000 2.000 4.000 . . . . . A . 13 A H8 . . A . 13 A H1' . . . 13 . H8 . . . . . 13 . H1' . . rr_1szy 1 90 1 . . 1 1 13 13 A H8 H . . . 1 1 13 13 A H2' H . . . . . 3.000 2.000 4.000 . . . . . A . 13 A H8 . . A . 13 A H2' . . . 13 . H8 . . . . . 13 . H2' . . rr_1szy 1 91 1 . . 1 1 13 13 A H8 H . . . 1 1 13 13 A H3' H . . . . . 2.400 1.800 3.000 . . . . . A . 13 A H8 . . A . 13 A H3' . . . 13 . H8 . . . . . 13 . H3' . . rr_1szy 1 92 1 . . 1 1 13 13 A H8 H . . . 1 1 13 13 A H4' H . . . . . 3.000 2.000 4.000 . . . . . A . 13 A H8 . . A . 13 A H4' . . . 13 . H8 . . . . . 13 . H4' . . rr_1szy 1 93 1 . . 1 1 13 13 A H8 H . . . 1 1 13 13 A H5' H . . . . . 2.400 0.000 4.800 . . . . . A . 13 A H8 . . A . 13 A H5' . . . 13 . H8 . . . . . 13 . H5' . . rr_1szy 1 94 1 . . 1 1 13 13 A H1' H . . . 1 1 13 13 A H2' H . . . . . 2.400 1.800 3.000 . . . . . A . 13 A H1' . . A . 13 A H2' . . . 13 . H1' . . . . . 13 . H2' . . rr_1szy 1 95 1 . . 1 1 13 13 A H1' H . . . 1 1 13 13 A H3' H . . . . . 3.000 2.000 4.000 . . . . . A . 13 A H1' . . A . 13 A H3' . . . 13 . H1' . . . . . 13 . H3' . . rr_1szy 1 96 1 . . 1 1 13 13 A H1' H . . . 1 1 13 13 A H4' H . . . . . 4.000 3.000 5.000 . . . . . A . 13 A H1' . . A . 13 A H4' . . . 13 . H1' . . . . . 13 . H4' . . rr_1szy 1 97 1 . . 1 1 13 13 A H1' H . . . 1 1 13 13 A H5' H . . . . . 4.000 1.200 6.800 . . . . . A . 13 A H1' . . A . 13 A H5' . . . 13 . H1' . . . . . 13 . H5' . . rr_1szy 1 98 1 . . 1 1 13 13 A H1' H . . . 1 1 14 14 A H8 H . . . . . 4.000 3.000 5.000 . . . . . A . 13 A H1' . . A . 14 A H8 . . . 13 . H1' . . . . . 14 . H8 . . rr_1szy 1 99 1 . . 1 1 13 13 A H1' H . . . 1 1 14 14 A H1' H . . . . . 3.000 2.000 4.000 . . . . . A . 13 A H1' . . A . 14 A H1' . . . 13 . H1' . . . . . 14 . H1' . . rr_1szy 1 100 1 . . 1 1 13 13 A H1' H . . . 1 1 14 14 A H5' H . . . . . 4.000 1.200 6.800 . . . . . A . 13 A H1' . . A . 14 A H5' . . . 13 . H1' . . . . . 14 . H5' . . rr_1szy 1 101 1 . . 1 1 13 13 A H2' H . . . 1 1 13 13 A H3' H . . . . . 3.000 2.000 4.000 . . . . . A . 13 A H2' . . A . 13 A H3' . . . 13 . H2' . . . . . 13 . H3' . . rr_1szy 1 102 1 . . 1 1 13 13 A H2' H . . . 1 1 13 13 A H4' H . . . . . 4.000 3.000 5.000 . . . . . A . 13 A H2' . . A . 13 A H4' . . . 13 . H2' . . . . . 13 . H4' . . rr_1szy 1 103 1 . . 1 1 13 13 A H2' H . . . 1 1 13 13 A H5' H . . . . . 4.000 1.200 6.800 . . . . . A . 13 A H2' . . A . 13 A H5' . . . 13 . H2' . . . . . 13 . H5' . . rr_1szy 1 104 1 . . 1 1 13 13 A H2' H . . . 1 1 14 14 A H8 H . . . . . 2.400 1.800 3.000 . . . . . A . 13 A H2' . . A . 14 A H8 . . . 13 . H2' . . . . . 14 . H8 . . rr_1szy 1 105 1 . . 1 1 13 13 A H2' H . . . 1 1 14 14 A H1' H . . . . . 2.400 1.800 3.000 . . . . . A . 13 A H2' . . A . 14 A H1' . . . 13 . H2' . . . . . 14 . H1' . . rr_1szy 1 106 1 . . 1 1 13 13 A H2' H . . . 1 1 14 14 A H4' H . . . . . 4.000 3.000 5.000 . . . . . A . 13 A H2' . . A . 14 A H4' . . . 13 . H2' . . . . . 14 . H4' . . rr_1szy 1 107 1 . . 1 1 13 13 A H2' H . . . 1 1 14 14 A H5' H . . . . . 4.000 1.200 6.800 . . . . . A . 13 A H2' . . A . 14 A H5' . . . 13 . H2' . . . . . 14 . H5' . . rr_1szy 1 108 1 . . 1 1 13 13 A H3' H . . . 1 1 14 14 A H8 H . . . . . 2.400 1.800 3.000 . . . . . A . 13 A H3' . . A . 14 A H8 . . . 13 . H3' . . . . . 14 . H8 . . rr_1szy 1 109 1 . . 1 1 14 14 A H2 H . . . 1 1 15 15 C H1' H . . . . . 2.400 1.800 3.000 . . . . . A . 14 A H2 . . A . 15 C H1' . . . 14 . H2 . . . . . 15 . H1' . . rr_1szy 1 110 1 . . 1 1 14 14 A H1' H . . . 1 1 14 14 A H8 H . . . . . 3.000 2.000 4.000 . . . . . A . 14 A H1' . . A . 14 A H8 . . . 14 . H1' . . . . . 14 . H8 . . rr_1szy 1 111 1 . . 1 1 14 14 A H8 H . . . 1 1 14 14 A H3' H . . . . . 4.000 3.000 5.000 . . . . . A . 14 A H8 . . A . 14 A H3' . . . 14 . H8 . . . . . 14 . H3' . . rr_1szy 1 112 1 . . 1 1 14 14 A H8 H . . . 1 1 14 14 A H5' H . . . . . 3.000 0.200 5.800 . . . . . A . 14 A H8 . . A . 14 A H5' . . . 14 . H8 . . . . . 14 . H5' . . rr_1szy 1 113 1 . . 1 1 14 14 A H8 H . . . 1 1 15 15 C H6 H . . . . . 4.000 3.000 5.000 . . . . . A . 14 A H8 . . A . 15 C H6 . . . 14 . H8 . . . . . 15 . H6 . . rr_1szy 1 114 1 . . 1 1 14 14 A H8 H . . . 1 1 15 15 C H5 H . . . . . 4.000 3.000 5.000 . . . . . A . 14 A H8 . . A . 15 C H5 . . . 14 . H8 . . . . . 15 . H5 . . rr_1szy 1 115 1 . . 1 1 14 14 A H1' H . . . 1 1 14 14 A H2' H . . . . . 2.400 1.800 3.000 . . . . . A . 14 A H1' . . A . 14 A H2' . . . 14 . H1' . . . . . 14 . H2' . . rr_1szy 1 116 1 . . 1 1 14 14 A H1' H . . . 1 1 14 14 A H3' H . . . . . 4.000 3.000 5.000 . . . . . A . 14 A H1' . . A . 14 A H3' . . . 14 . H1' . . . . . 14 . H3' . . rr_1szy 1 117 1 . . 1 1 14 14 A H1' H . . . 1 1 14 14 A H4' H . . . . . 4.000 3.000 5.000 . . . . . A . 14 A H1' . . A . 14 A H4' . . . 14 . H1' . . . . . 14 . H4' . . rr_1szy 1 118 1 . . 1 1 14 14 A H1' H . . . 1 1 14 14 A H5' H . . . . . 4.000 1.200 6.800 . . . . . A . 14 A H1' . . A . 14 A H5' . . . 14 . H1' . . . . . 14 . H5' . . rr_1szy 1 119 1 . . 1 1 14 14 A H1' H . . . 1 1 15 15 C H6 H . . . . . 4.000 3.000 5.000 . . . . . A . 14 A H1' . . A . 15 C H6 . . . 14 . H1' . . . . . 15 . H6 . . rr_1szy 1 120 1 . . 1 1 14 14 A H1' H . . . 1 1 15 15 C H5'' H . . . . . 4.000 1.200 6.800 . . . . . A . 14 A H1' . . A . 15 C H5'' . . . 14 . H1' . . . . . 15 . H5'' . . rr_1szy 1 121 1 . . 1 1 14 14 A H3' H . . . 1 1 15 15 C H6 H . . . . . 2.400 1.800 3.000 . . . . . A . 14 A H3' . . A . 15 C H6 . . . 14 . H3' . . . . . 15 . H6 . . rr_1szy 1 122 1 . . 1 1 15 15 C H1' H . . . 1 1 14 14 A H3' H . . . . . 4.000 3.000 5.000 . . . . . A . 15 C H1' . . A . 14 A H3' . . . 15 . H1' . . . . . 14 . H3' . . rr_1szy 1 123 1 . . 1 1 14 14 A H3' H . . . 1 1 15 15 C H5 H . . . . . 4.000 3.000 5.000 . . . . . A . 14 A H3' . . A . 15 C H5 . . . 14 . H3' . . . . . 15 . H5 . . rr_1szy 1 124 1 . . 1 1 14 14 A H4' H . . . 1 1 15 15 C H6 H . . . . . 4.000 3.000 5.000 . . . . . A . 14 A H4' . . A . 15 C H6 . . . 14 . H4' . . . . . 15 . H6 . . rr_1szy 1 125 1 . . 1 1 11 11 A H1' H . . . 1 1 12 12 U H6 H . . . . . 4.000 3.000 5.000 . . . . . A . 11 A H1' . . A . 12 U H6 . . . 11 . H1' . . . . . 12 . H6 . . rr_1szy 1 126 1 . . 1 1 12 12 U H1' H . . . 1 1 13 13 A H8 H . . . . . 4.000 3.000 5.000 . . . . . A . 12 U H1' . . A . 13 A H8 . . . 12 . H1' . . . . . 13 . H8 . . rr_1szy 1 127 1 . . 1 1 8 8 C H6 H . . . 1 1 9 9 U H5 H . . . . . 4.000 3.000 5.000 . . . . . A . 8 C H6 . . A . 9 U H5 . . . 8 . H6 . . . . . 9 . H5 . . rr_1szy 1 128 1 . . 1 1 12 12 U H6 H . . . 1 1 13 13 A H8 H . . . . . 4.000 3.000 5.000 . . . . . A . 12 U H6 . . A . 13 A H8 . . . 12 . H6 . . . . . 13 . H8 . . rr_1szy 1 129 1 . . 1 1 7 7 G H8 H . . . 1 1 8 8 C H6 H . . . . . 4.000 3.000 5.000 . . . . . A . 7 G H8 . . A . 8 C H6 . . . 7 . H8 . . . . . 8 . H6 . . rr_1szy 1 130 1 . . 1 1 7 7 G H8 H . . . 1 1 8 8 C H5 H . . . . . 3.000 2.000 4.000 . . . . . A . 7 G H8 . . A . 8 C H5 . . . 7 . H8 . . . . . 8 . H5 . . rr_1szy 1 131 1 . . 1 1 8 8 C H6 H . . . 1 1 7 7 G H1' H . . . . . 4.000 3.000 5.000 . . . . . A . 8 C H6 . . A . 7 G H1' . . . 8 . H6 . . . . . 7 . H1' . . rr_1szy 1 132 1 . . 1 1 7 7 G H1' H . . . 1 1 8 8 C H3' H . . . . . 4.000 3.000 5.000 . . . . . A . 7 G H1' . . A . 8 C H3' . . . 7 . H1' . . . . . 8 . H3' . . rr_1szy 1 133 1 . . 1 1 8 8 C H6 H . . . 1 1 7 7 G H2' H . . . . . 2.400 1.800 3.000 . . . . . A . 8 C H6 . . A . 7 G H2' . . . 8 . H6 . . . . . 7 . H2' . . rr_1szy 1 134 1 . . 1 1 7 7 G H2' H . . . 1 1 8 8 C H1' H . . . . . 4.000 3.000 5.000 . . . . . A . 7 G H2' . . A . 8 C H1' . . . 7 . H2' . . . . . 8 . H1' . . rr_1szy 1 135 1 . . 1 1 8 8 C H5 H . . . 1 1 7 7 G H2' H . . . . . 2.400 1.800 3.000 . . . . . A . 8 C H5 . . A . 7 G H2' . . . 8 . H5 . . . . . 7 . H2' . . rr_1szy 1 136 1 . . 1 1 8 8 C H6 H . . . 1 1 7 7 G H3' H . . . . . 3.000 2.000 4.000 . . . . . A . 8 C H6 . . A . 7 G H3' . . . 8 . H6 . . . . . 7 . H3' . . rr_1szy 1 137 1 . . 1 1 8 8 C H5 H . . . 1 1 7 7 G H3' H . . . . . 2.400 1.800 3.000 . . . . . A . 8 C H5 . . A . 7 G H3' . . . 8 . H5 . . . . . 7 . H3' . . rr_1szy 1 138 1 . . 1 1 8 8 C H5 H . . . 1 1 7 7 G H5' H . . . . . 4.000 1.200 6.800 . . . . . A . 8 C H5 . . A . 7 G H5' . . . 8 . H5 . . . . . 7 . H5' . . rr_1szy 1 139 1 . . 1 1 8 8 C H6 H . . . 1 1 8 8 C H1' H . . . . . 3.000 2.000 4.000 . . . . . A . 8 C H6 . . A . 8 C H1' . . . 8 . H6 . . . . . 8 . H1' . . rr_1szy 1 140 1 . . 1 1 8 8 C H6 H . . . 1 1 8 8 C H5 H . . . . . 2.400 1.800 3.000 . . . . . A . 8 C H6 . . A . 8 C H5 . . . 8 . H6 . . . . . 8 . H5 . . rr_1szy 1 141 1 . . 1 1 8 8 C H6 H . . . 1 1 8 8 C H2' H . . . . . 3.000 2.000 4.000 . . . . . A . 8 C H6 . . A . 8 C H2' . . . 8 . H6 . . . . . 8 . H2' . . rr_1szy 1 142 1 . . 1 1 8 8 C H6 H . . . 1 1 8 8 C H3' H . . . . . 2.400 1.800 3.000 . . . . . A . 8 C H6 . . A . 8 C H3' . . . 8 . H6 . . . . . 8 . H3' . . rr_1szy 1 143 1 . . 1 1 8 8 C H6 H . . . 1 1 8 8 C H4' H . . . . . 2.400 1.800 3.000 . . . . . A . 8 C H6 . . A . 8 C H4' . . . 8 . H6 . . . . . 8 . H4' . . rr_1szy 1 144 1 . . 1 1 8 8 C H6 H . . . 1 1 8 8 C H5' H . . . . . 4.000 1.200 6.800 . . . . . A . 8 C H6 . . A . 8 C H5' . . . 8 . H6 . . . . . 8 . H5' . . rr_1szy 1 145 1 . . 1 1 8 8 C H6 H . . . 1 1 11 11 A H8 H . . . . . 2.400 1.800 3.000 . . . . . A . 8 C H6 . . A . 11 A H8 . . . 8 . H6 . . . . . 11 . H8 . . rr_1szy 1 146 1 . . 1 1 8 8 C H5 H . . . 1 1 8 8 C H1' H . . . . . 4.000 3.000 5.000 . . . . . A . 8 C H5 . . A . 8 C H1' . . . 8 . H5 . . . . . 8 . H1' . . rr_1szy 1 147 1 . . 1 1 8 8 C H1' H . . . 1 1 8 8 C H2' H . . . . . 2.400 1.800 3.000 . . . . . A . 8 C H1' . . A . 8 C H2' . . . 8 . H1' . . . . . 8 . H2' . . rr_1szy 1 148 1 . . 1 1 8 8 C H1' H . . . 1 1 8 8 C H3' H . . . . . 4.000 3.000 5.000 . . . . . A . 8 C H1' . . A . 8 C H3' . . . 8 . H1' . . . . . 8 . H3' . . rr_1szy 1 149 1 . . 1 1 8 8 C H1' H . . . 1 1 8 8 C H4' H . . . . . 4.000 3.000 5.000 . . . . . A . 8 C H1' . . A . 8 C H4' . . . 8 . H1' . . . . . 8 . H4' . . rr_1szy 1 150 1 . . 1 1 8 8 C H1' H . . . 1 1 8 8 C H5' H . . . . . 4.000 1.200 6.800 . . . . . A . 8 C H1' . . A . 8 C H5' . . . 8 . H1' . . . . . 8 . H5' . . rr_1szy 1 151 1 . . 1 1 8 8 C H1' H . . . 1 1 9 9 U H6 H . . . . . 4.000 3.000 5.000 . . . . . A . 8 C H1' . . A . 9 U H6 . . . 8 . H1' . . . . . 9 . H6 . . rr_1szy 1 152 1 . . 1 1 8 8 C H5 H . . . 1 1 8 8 C H3' H . . . . . 4.000 3.000 5.000 . . . . . A . 8 C H5 . . A . 8 C H3' . . . 8 . H5 . . . . . 8 . H3' . . rr_1szy 1 153 1 . . 1 1 8 8 C H5 H . . . 1 1 8 8 C H4' H . . . . . 4.000 3.000 5.000 . . . . . A . 8 C H5 . . A . 8 C H4' . . . 8 . H5 . . . . . 8 . H4' . . rr_1szy 1 154 1 . . 1 1 8 8 C H5 H . . . 1 1 9 9 U H5 H . . . . . 4.000 3.000 5.000 . . . . . A . 8 C H5 . . A . 9 U H5 . . . 8 . H5 . . . . . 9 . H5 . . rr_1szy 1 155 1 . . 1 1 8 8 C H2' H . . . 1 1 9 9 U H6 H . . . . . 2.400 1.800 3.000 . . . . . A . 8 C H2' . . A . 9 U H6 . . . 8 . H2' . . . . . 9 . H6 . . rr_1szy 1 156 1 . . 1 1 8 8 C H2' H . . . 1 1 9 9 U H1' H . . . . . 4.000 3.000 5.000 . . . . . A . 8 C H2' . . A . 9 U H1' . . . 8 . H2' . . . . . 9 . H1' . . rr_1szy 1 157 1 . . 1 1 8 8 C H2' H . . . 1 1 9 9 U H5 H . . . . . 4.000 3.000 5.000 . . . . . A . 8 C H2' . . A . 9 U H5 . . . 8 . H2' . . . . . 9 . H5 . . rr_1szy 1 158 1 . . 1 1 8 8 C H3' H . . . 1 1 9 9 U H6 H . . . . . 3.000 2.000 4.000 . . . . . A . 8 C H3' . . A . 9 U H6 . . . 8 . H3' . . . . . 9 . H6 . . rr_1szy 1 159 1 . . 1 1 8 8 C H3' H . . . 1 1 9 9 U H5 H . . . . . 4.000 3.000 5.000 . . . . . A . 8 C H3' . . A . 9 U H5 . . . 8 . H3' . . . . . 9 . H5 . . rr_1szy 1 160 1 . . 1 1 8 8 C H5' H . . . 1 1 9 9 U H6 H . . . . . 4.000 1.200 6.800 . . . . . A . 8 C H5' . . A . 9 U H6 . . . 8 . H5' . . . . . 9 . H6 . . rr_1szy 1 161 1 . . 1 1 9 9 U H6 H . . . 1 1 9 9 U H1' H . . . . . 3.000 2.000 4.000 . . . . . A . 9 U H6 . . A . 9 U H1' . . . 9 . H6 . . . . . 9 . H1' . . rr_1szy 1 162 1 . . 1 1 9 9 U H6 H . . . 1 1 9 9 U H5 H . . . . . 2.400 1.800 3.000 . . . . . A . 9 U H6 . . A . 9 U H5 . . . 9 . H6 . . . . . 9 . H5 . . rr_1szy 1 163 1 . . 1 1 9 9 U H6 H . . . 1 1 9 9 U H2' H . . . . . 3.000 2.000 4.000 . . . . . A . 9 U H6 . . A . 9 U H2' . . . 9 . H6 . . . . . 9 . H2' . . rr_1szy 1 164 1 . . 1 1 9 9 U H6 H . . . 1 1 9 9 U H3' H . . . . . 4.000 3.000 5.000 . . . . . A . 9 U H6 . . A . 9 U H3' . . . 9 . H6 . . . . . 9 . H3' . . rr_1szy 1 165 1 . . 1 1 9 9 U H6 H . . . 1 1 9 9 U H4' H . . . . . 4.000 3.000 5.000 . . . . . A . 9 U H6 . . A . 9 U H4' . . . 9 . H6 . . . . . 9 . H4' . . rr_1szy 1 166 1 . . 1 1 9 9 U H1' H . . . 1 1 9 9 U H2' H . . . . . 2.400 1.800 3.000 . . . . . A . 9 U H1' . . A . 9 U H2' . . . 9 . H1' . . . . . 9 . H2' . . rr_1szy 1 167 1 . . 1 1 9 9 U H1' H . . . 1 1 9 9 U H3' H . . . . . 4.000 3.000 5.000 . . . . . A . 9 U H1' . . A . 9 U H3' . . . 9 . H1' . . . . . 9 . H3' . . rr_1szy 1 168 1 . . 1 1 9 9 U H1' H . . . 1 1 9 9 U H4' H . . . . . 3.000 2.000 4.000 . . . . . A . 9 U H1' . . A . 9 U H4' . . . 9 . H1' . . . . . 9 . H4' . . rr_1szy 1 169 1 . . 1 1 9 9 U H1' H . . . 1 1 9 9 U H5'' H . . . . . 3.000 0.200 5.800 . . . . . A . 9 U H1' . . A . 9 U H5'' . . . 9 . H1' . . . . . 9 . H5'' . . rr_1szy 1 170 1 . . 1 1 9 9 U H1' H . . . 1 1 10 10 C H2' H . . . . . 4.000 3.000 5.000 . . . . . A . 9 U H1' . . A . 10 C H2' . . . 9 . H1' . . . . . 10 . H2' . . rr_1szy 1 171 1 . . 1 1 9 9 U H1' H . . . 1 1 11 11 A H8 H . . . . . 3.000 2.000 4.000 . . . . . A . 9 U H1' . . A . 11 A H8 . . . 9 . H1' . . . . . 11 . H8 . . rr_1szy 1 172 1 . . 1 1 9 9 U H2' H . . . 1 1 10 10 C H6 H . . . . . 4.000 3.000 5.000 . . . . . A . 9 U H2' . . A . 10 C H6 . . . 9 . H2' . . . . . 10 . H6 . . rr_1szy 1 173 1 . . 1 1 9 9 U H2' H . . . 1 1 11 11 A H8 H . . . . . 2.400 1.800 3.000 . . . . . A . 9 U H2' . . A . 11 A H8 . . . 9 . H2' . . . . . 11 . H8 . . rr_1szy 1 174 1 . . 1 1 9 9 U H3' H . . . 1 1 10 10 C H1' H . . . . . 4.000 3.000 5.000 . . . . . A . 9 U H3' . . A . 10 C H1' . . . 9 . H3' . . . . . 10 . H1' . . rr_1szy 1 175 1 . . 1 1 10 10 C H6 H . . . 1 1 10 10 C H1' H . . . . . 3.000 2.000 4.000 . . . . . A . 10 C H6 . . A . 10 C H1' . . . 10 . H6 . . . . . 10 . H1' . . rr_1szy 1 176 1 . . 1 1 10 10 C H6 H . . . 1 1 10 10 C H5 H . . . . . 2.400 1.800 3.000 . . . . . A . 10 C H6 . . A . 10 C H5 . . . 10 . H6 . . . . . 10 . H5 . . rr_1szy 1 177 1 . . 1 1 10 10 C H2' H . . . 1 1 10 10 C H6 H . . . . . 3.000 2.000 4.000 . . . . . A . 10 C H2' . . A . 10 C H6 . . . 10 . H2' . . . . . 10 . H6 . . rr_1szy 1 178 1 . . 1 1 10 10 C H6 H . . . 1 1 10 10 C H3' H . . . . . 3.000 2.000 4.000 . . . . . A . 10 C H6 . . A . 10 C H3' . . . 10 . H6 . . . . . 10 . H3' . . rr_1szy 1 179 1 . . 1 1 10 10 C H6 H . . . 1 1 10 10 C H4' H . . . . . 4.000 3.000 5.000 . . . . . A . 10 C H6 . . A . 10 C H4' . . . 10 . H6 . . . . . 10 . H4' . . rr_1szy 1 180 1 . . 1 1 10 10 C H6 H . . . 1 1 10 10 C H5' H . . . . . 4.000 1.200 6.800 . . . . . A . 10 C H6 . . A . 10 C H5' . . . 10 . H6 . . . . . 10 . H5' . . rr_1szy 1 181 1 . . 1 1 11 11 A H8 H . . . 1 1 10 10 C H6 H . . . . . 4.000 3.000 5.000 . . . . . A . 11 A H8 . . A . 10 C H6 . . . 11 . H8 . . . . . 10 . H6 . . rr_1szy 1 182 1 . . 1 1 10 10 C H2' H . . . 1 1 10 10 C H1' H . . . . . 2.400 1.800 3.000 . . . . . A . 10 C H2' . . A . 10 C H1' . . . 10 . H2' . . . . . 10 . H1' . . rr_1szy 1 183 1 . . 1 1 10 10 C H1' H . . . 1 1 10 10 C H4' H . . . . . 3.000 2.000 4.000 . . . . . A . 10 C H1' . . A . 10 C H4' . . . 10 . H1' . . . . . 10 . H4' . . rr_1szy 1 184 1 . . 1 1 10 10 C H1' H . . . 1 1 10 10 C H5' H . . . . . 4.000 1.200 6.800 . . . . . A . 10 C H1' . . A . 10 C H5' . . . 10 . H1' . . . . . 10 . H5' . . rr_1szy 1 185 1 . . 1 1 11 11 A H8 H . . . 1 1 10 10 C H1' H . . . . . 4.000 3.000 5.000 . . . . . A . 11 A H8 . . A . 10 C H1' . . . 11 . H8 . . . . . 10 . H1' . . rr_1szy 1 186 1 . . 1 1 10 10 C H2' H . . . 1 1 11 11 A H8 H . . . . . 2.400 1.800 3.000 . . . . . A . 10 C H2' . . A . 11 A H8 . . . 10 . H2' . . . . . 11 . H8 . . rr_1szy 1 187 1 . . 1 1 11 11 A H8 H . . . 1 1 10 10 C H3' H . . . . . 2.400 1.800 3.000 . . . . . A . 11 A H8 . . A . 10 C H3' . . . 11 . H8 . . . . . 10 . H3' . . rr_1szy 1 188 1 . . 1 1 11 11 A H8 H . . . 1 1 10 10 C H4' H . . . . . 3.000 2.000 4.000 . . . . . A . 11 A H8 . . A . 10 C H4' . . . 11 . H8 . . . . . 10 . H4' . . rr_1szy 1 189 1 . . 1 1 10 10 C H4' H . . . 1 1 11 11 A H3' H . . . . . 4.000 3.000 5.000 . . . . . A . 10 C H4' . . A . 11 A H3' . . . 10 . H4' . . . . . 11 . H3' . . rr_1szy 1 190 1 . . 1 1 11 11 A H8 H . . . 1 1 10 10 C H5' H . . . . . 4.000 1.200 6.800 . . . . . A . 11 A H8 . . A . 10 C H5' . . . 11 . H8 . . . . . 10 . H5' . . rr_1szy 1 191 1 . . 1 1 11 11 A H2 H . . . 1 1 12 12 U H1' H . . . . . 4.000 3.000 5.000 . . . . . A . 11 A H2 . . A . 12 U H1' . . . 11 . H2 . . . . . 12 . H1' . . rr_1szy 1 192 1 . . 1 1 11 11 A H8 H . . . 1 1 11 11 A H1' H . . . . . 3.000 2.000 4.000 . . . . . A . 11 A H8 . . A . 11 A H1' . . . 11 . H8 . . . . . 11 . H1' . . rr_1szy 1 193 1 . . 1 1 11 11 A H8 H . . . 1 1 11 11 A H2' H . . . . . 2.400 1.800 3.000 . . . . . A . 11 A H8 . . A . 11 A H2' . . . 11 . H8 . . . . . 11 . H2' . . rr_1szy 1 194 1 . . 1 1 11 11 A H8 H . . . 1 1 11 11 A H3' H . . . . . 2.400 1.800 3.000 . . . . . A . 11 A H8 . . A . 11 A H3' . . . 11 . H8 . . . . . 11 . H3' . . rr_1szy 1 195 1 . . 1 1 11 11 A H8 H . . . 1 1 11 11 A H5' H . . . . . 4.000 1.200 6.800 . . . . . A . 11 A H8 . . A . 11 A H5' . . . 11 . H8 . . . . . 11 . H5' . . rr_1szy 1 196 1 . . 1 1 11 11 A H8 H . . . 1 1 12 12 U H6 H . . . . . 4.000 3.000 5.000 . . . . . A . 11 A H8 . . A . 12 U H6 . . . 11 . H8 . . . . . 12 . H6 . . rr_1szy 1 197 1 . . 1 1 11 11 A H1' H . . . 1 1 11 11 A H2' H . . . . . 4.000 3.000 5.000 . . . . . A . 11 A H1' . . A . 11 A H2' . . . 11 . H1' . . . . . 11 . H2' . . rr_1szy 1 198 1 . . 1 1 11 11 A H1' H . . . 1 1 11 11 A H3' H . . . . . 4.000 3.000 5.000 . . . . . A . 11 A H1' . . A . 11 A H3' . . . 11 . H1' . . . . . 11 . H3' . . rr_1szy 1 199 1 . . 1 1 11 11 A H1' H . . . 1 1 11 11 A H4' H . . . . . 3.000 2.000 4.000 . . . . . A . 11 A H1' . . A . 11 A H4' . . . 11 . H1' . . . . . 11 . H4' . . rr_1szy 1 200 1 . . 1 1 11 11 A H2' H . . . 1 1 11 11 A H3' H . . . . . 4.000 3.000 5.000 . . . . . A . 11 A H2' . . A . 11 A H3' . . . 11 . H2' . . . . . 11 . H3' . . rr_1szy 1 201 1 . . 1 1 11 11 A H2' H . . . 1 1 12 12 U H6 H . . . . . 3.000 2.000 4.000 . . . . . A . 11 A H2' . . A . 12 U H6 . . . 11 . H2' . . . . . 12 . H6 . . rr_1szy 1 202 1 . . 1 1 11 11 A H3' H . . . 1 1 11 11 A H4' H . . . . . 4.000 3.000 5.000 . . . . . A . 11 A H3' . . A . 11 A H4' . . . 11 . H3' . . . . . 11 . H4' . . rr_1szy 1 203 1 . . 1 1 11 11 A H3' H . . . 1 1 11 11 A H5' H . . . . . 4.000 1.200 6.800 . . . . . A . 11 A H3' . . A . 11 A H5' . . . 11 . H3' . . . . . 11 . H5' . . rr_1szy 1 204 1 . . 1 1 11 11 A H3' H . . . 1 1 11 11 A H5'' H . . . . . 4.000 1.200 6.800 . . . . . A . 11 A H3' . . A . 11 A H5'' . . . 11 . H3' . . . . . 11 . H5'' . . rr_1szy 1 205 1 . . 1 1 11 11 A H3' H . . . 1 1 12 12 U H6 H . . . . . 4.000 3.000 5.000 . . . . . A . 11 A H3' . . A . 12 U H6 . . . 11 . H3' . . . . . 12 . H6 . . rr_1szy 1 206 1 . . 1 1 11 11 A H3' H . . . 1 1 12 12 U H5'' H . . . . . 4.000 1.200 6.800 . . . . . A . 11 A H3' . . A . 12 U H5'' . . . 11 . H3' . . . . . 12 . H5'' . . rr_1szy 1 207 1 . . 1 1 12 12 U H1' H . . . 1 1 12 12 U H6 H . . . . . 3.000 2.000 4.000 . . . . . A . 12 U H1' . . A . 12 U H6 . . . 12 . H1' . . . . . 12 . H6 . . rr_1szy 1 208 1 . . 1 1 12 12 U H6 H . . . 1 1 12 12 U H5 H . . . . . 2.400 1.800 3.000 . . . . . A . 12 U H6 . . A . 12 U H5 . . . 12 . H6 . . . . . 12 . H5 . . rr_1szy 1 209 1 . . 1 1 12 12 U H6 H . . . 1 1 12 12 U H2' H . . . . . 2.400 1.800 3.000 . . . . . A . 12 U H6 . . A . 12 U H2' . . . 12 . H6 . . . . . 12 . H2' . . rr_1szy 1 210 1 . . 1 1 12 12 U H6 H . . . 1 1 12 12 U H3' H . . . . . 3.000 2.000 4.000 . . . . . A . 12 U H6 . . A . 12 U H3' . . . 12 . H6 . . . . . 12 . H3' . . rr_1szy 1 211 1 . . 1 1 12 12 U H6 H . . . 1 1 12 12 U H5' H . . . . . 4.000 1.200 6.800 . . . . . A . 12 U H6 . . A . 12 U H5' . . . 12 . H6 . . . . . 12 . H5' . . rr_1szy 1 212 1 . . 1 1 12 12 U H6 H . . . 1 1 12 12 U H5'' H . . . . . 4.000 1.200 6.800 . . . . . A . 12 U H6 . . A . 12 U H5'' . . . 12 . H6 . . . . . 12 . H5'' . . rr_1szy 1 213 1 . . 1 1 12 12 U H1' H . . . 1 1 12 12 U H2' H . . . . . 2.400 1.800 3.000 . . . . . A . 12 U H1' . . A . 12 U H2' . . . 12 . H1' . . . . . 12 . H2' . . rr_1szy 1 214 1 . . 1 1 12 12 U H1' H . . . 1 1 12 12 U H3' H . . . . . 4.000 3.000 5.000 . . . . . A . 12 U H1' . . A . 12 U H3' . . . 12 . H1' . . . . . 12 . H3' . . rr_1szy 1 215 1 . . 1 1 12 12 U H1' H . . . 1 1 12 12 U H4' H . . . . . 4.000 3.000 5.000 . . . . . A . 12 U H1' . . A . 12 U H4' . . . 12 . H1' . . . . . 12 . H4' . . rr_1szy 1 216 1 . . 1 1 12 12 U H1' H . . . 1 1 12 12 U H5' H . . . . . 4.000 1.200 6.800 . . . . . A . 12 U H1' . . A . 12 U H5' . . . 12 . H1' . . . . . 12 . H5' . . rr_1szy 1 217 1 . . 1 1 12 12 U H1' H . . . 1 1 12 12 U H5'' H . . . . . 4.000 1.200 6.800 . . . . . A . 12 U H1' . . A . 12 U H5'' . . . 12 . H1' . . . . . 12 . H5'' . . rr_1szy 1 218 1 . . 1 1 12 12 U H2' H . . . 1 1 13 13 A H8 H . . . . . 4.000 3.000 5.000 . . . . . A . 12 U H2' . . A . 13 A H8 . . . 12 . H2' . . . . . 13 . H8 . . rr_1szy 1 219 1 . . 1 1 12 12 U H2' H . . . 1 1 13 13 A H1' H . . . . . 4.000 3.000 5.000 . . . . . A . 12 U H2' . . A . 13 A H1' . . . 12 . H2' . . . . . 13 . H1' . . rr_1szy 1 220 1 . . 1 1 12 12 U H3' H . . . 1 1 13 13 A H8 H . . . . . 2.400 1.800 3.000 . . . . . A . 12 U H3' . . A . 13 A H8 . . . 12 . H3' . . . . . 13 . H8 . . rr_1szy 1 221 1 . . 1 1 12 12 U H4' H . . . 1 1 13 13 A H8 H . . . . . 4.000 3.000 5.000 . . . . . A . 12 U H4' . . A . 13 A H8 . . . 12 . H4' . . . . . 13 . H8 . . rr_1szy 1 222 1 . . 1 1 13 13 A H2 H . . . 1 1 13 13 A H2' H . . . . . 4.000 3.000 5.000 . . . . . A . 13 A H2 . . A . 13 A H2' . . . 13 . H2 . . . . . 13 . H2' . . rr_1szy 1 223 1 . . 1 1 13 13 A H2 H . . . 1 1 14 14 A H1' H . . . . . 2.400 1.800 3.000 . . . . . A . 13 A H2 . . A . 14 A H1' . . . 13 . H2 . . . . . 14 . H1' . . rr_1szy 1 224 1 . . 1 1 13 13 A H8 H . . . 1 1 13 13 A H1' H . . . . . 3.000 2.000 4.000 . . . . . A . 13 A H8 . . A . 13 A H1' . . . 13 . H8 . . . . . 13 . H1' . . rr_1szy 1 225 1 . . 1 1 13 13 A H8 H . . . 1 1 13 13 A H2' H . . . . . 3.000 2.000 4.000 . . . . . A . 13 A H8 . . A . 13 A H2' . . . 13 . H8 . . . . . 13 . H2' . . rr_1szy 1 226 1 . . 1 1 13 13 A H8 H . . . 1 1 13 13 A H3' H . . . . . 2.400 1.800 3.000 . . . . . A . 13 A H8 . . A . 13 A H3' . . . 13 . H8 . . . . . 13 . H3' . . rr_1szy 1 227 1 . . 1 1 13 13 A H8 H . . . 1 1 13 13 A H4' H . . . . . 3.000 2.000 4.000 . . . . . A . 13 A H8 . . A . 13 A H4' . . . 13 . H8 . . . . . 13 . H4' . . rr_1szy 1 228 1 . . 1 1 13 13 A H8 H . . . 1 1 13 13 A H5' H . . . . . 2.400 0.000 4.800 . . . . . A . 13 A H8 . . A . 13 A H5' . . . 13 . H8 . . . . . 13 . H5' . . rr_1szy 1 229 1 . . 1 1 13 13 A H1' H . . . 1 1 13 13 A H2' H . . . . . 2.400 1.800 3.000 . . . . . A . 13 A H1' . . A . 13 A H2' . . . 13 . H1' . . . . . 13 . H2' . . rr_1szy 1 230 1 . . 1 1 13 13 A H1' H . . . 1 1 13 13 A H3' H . . . . . 2.400 1.800 3.000 . . . . . A . 13 A H1' . . A . 13 A H3' . . . 13 . H1' . . . . . 13 . H3' . . rr_1szy 1 231 1 . . 1 1 13 13 A H1' H . . . 1 1 13 13 A H4' H . . . . . 4.000 3.000 5.000 . . . . . A . 13 A H1' . . A . 13 A H4' . . . 13 . H1' . . . . . 13 . H4' . . rr_1szy 1 232 1 . . 1 1 13 13 A H1' H . . . 1 1 13 13 A H5' H . . . . . 4.000 1.200 6.800 . . . . . A . 13 A H1' . . A . 13 A H5' . . . 13 . H1' . . . . . 13 . H5' . . rr_1szy 1 233 1 . . 1 1 13 13 A H1' H . . . 1 1 14 14 A H8 H . . . . . 3.000 2.000 4.000 . . . . . A . 13 A H1' . . A . 14 A H8 . . . 13 . H1' . . . . . 14 . H8 . . rr_1szy 1 234 1 . . 1 1 13 13 A H1' H . . . 1 1 14 14 A H1' H . . . . . 3.000 2.000 4.000 . . . . . A . 13 A H1' . . A . 14 A H1' . . . 13 . H1' . . . . . 14 . H1' . . rr_1szy 1 235 1 . . 1 1 13 13 A H1' H . . . 1 1 14 14 A H5' H . . . . . 4.000 1.200 6.800 . . . . . A . 13 A H1' . . A . 14 A H5' . . . 13 . H1' . . . . . 14 . H5' . . rr_1szy 1 236 1 . . 1 1 13 13 A H2' H . . . 1 1 13 13 A H3' H . . . . . 4.000 3.000 5.000 . . . . . A . 13 A H2' . . A . 13 A H3' . . . 13 . H2' . . . . . 13 . H3' . . rr_1szy 1 237 1 . . 1 1 13 13 A H2' H . . . 1 1 13 13 A H4' H . . . . . 4.000 3.000 5.000 . . . . . A . 13 A H2' . . A . 13 A H4' . . . 13 . H2' . . . . . 13 . H4' . . rr_1szy 1 238 1 . . 1 1 13 13 A H2' H . . . 1 1 13 13 A H5' H . . . . . 4.000 1.200 6.800 . . . . . A . 13 A H2' . . A . 13 A H5' . . . 13 . H2' . . . . . 13 . H5' . . rr_1szy 1 239 1 . . 1 1 13 13 A H2' H . . . 1 1 14 14 A H8 H . . . . . 2.400 1.800 3.000 . . . . . A . 13 A H2' . . A . 14 A H8 . . . 13 . H2' . . . . . 14 . H8 . . rr_1szy 1 240 1 . . 1 1 13 13 A H2' H . . . 1 1 14 14 A H1' H . . . . . 2.400 1.800 3.000 . . . . . A . 13 A H2' . . A . 14 A H1' . . . 13 . H2' . . . . . 14 . H1' . . rr_1szy 1 241 1 . . 1 1 13 13 A H2' H . . . 1 1 14 14 A H4' H . . . . . 4.000 3.000 5.000 . . . . . A . 13 A H2' . . A . 14 A H4' . . . 13 . H2' . . . . . 14 . H4' . . rr_1szy 1 242 1 . . 1 1 13 13 A H2' H . . . 1 1 14 14 A H5' H . . . . . 4.000 1.200 6.800 . . . . . A . 13 A H2' . . A . 14 A H5' . . . 13 . H2' . . . . . 14 . H5' . . rr_1szy 1 243 1 . . 1 1 13 13 A H3' H . . . 1 1 14 14 A H8 H . . . . . 2.400 1.800 3.000 . . . . . A . 13 A H3' . . A . 14 A H8 . . . 13 . H3' . . . . . 14 . H8 . . rr_1szy 1 244 1 . . 1 1 14 14 A H2 H . . . 1 1 15 15 C H1' H . . . . . 2.400 1.800 3.000 . . . . . A . 14 A H2 . . A . 15 C H1' . . . 14 . H2 . . . . . 15 . H1' . . rr_1szy 1 245 1 . . 1 1 14 14 A H1' H . . . 1 1 14 14 A H8 H . . . . . 3.000 2.000 4.000 . . . . . A . 14 A H1' . . A . 14 A H8 . . . 14 . H1' . . . . . 14 . H8 . . rr_1szy 1 246 1 . . 1 1 14 14 A H8 H . . . 1 1 14 14 A H3' H . . . . . 4.000 3.000 5.000 . . . . . A . 14 A H8 . . A . 14 A H3' . . . 14 . H8 . . . . . 14 . H3' . . rr_1szy 1 247 1 . . 1 1 14 14 A H8 H . . . 1 1 14 14 A H5' H . . . . . 3.000 0.200 5.800 . . . . . A . 14 A H8 . . A . 14 A H5' . . . 14 . H8 . . . . . 14 . H5' . . rr_1szy 1 248 1 . . 1 1 14 14 A H8 H . . . 1 1 15 15 C H6 H . . . . . 2.400 1.800 3.000 . . . . . A . 14 A H8 . . A . 15 C H6 . . . 14 . H8 . . . . . 15 . H6 . . rr_1szy 1 249 1 . . 1 1 14 14 A H8 H . . . 1 1 15 15 C H5 H . . . . . 4.000 3.000 5.000 . . . . . A . 14 A H8 . . A . 15 C H5 . . . 14 . H8 . . . . . 15 . H5 . . rr_1szy 1 250 1 . . 1 1 14 14 A H1' H . . . 1 1 14 14 A H2' H . . . . . 2.400 1.800 3.000 . . . . . A . 14 A H1' . . A . 14 A H2' . . . 14 . H1' . . . . . 14 . H2' . . rr_1szy 1 251 1 . . 1 1 14 14 A H1' H . . . 1 1 14 14 A H3' H . . . . . 4.000 3.000 5.000 . . . . . A . 14 A H1' . . A . 14 A H3' . . . 14 . H1' . . . . . 14 . H3' . . rr_1szy 1 252 1 . . 1 1 14 14 A H1' H . . . 1 1 14 14 A H4' H . . . . . 4.000 3.000 5.000 . . . . . A . 14 A H1' . . A . 14 A H4' . . . 14 . H1' . . . . . 14 . H4' . . rr_1szy 1 253 1 . . 1 1 14 14 A H1' H . . . 1 1 14 14 A H5' H . . . . . 4.000 1.200 6.800 . . . . . A . 14 A H1' . . A . 14 A H5' . . . 14 . H1' . . . . . 14 . H5' . . rr_1szy 1 254 1 . . 1 1 14 14 A H1' H . . . 1 1 15 15 C H6 H . . . . . 4.000 3.000 5.000 . . . . . A . 14 A H1' . . A . 15 C H6 . . . 14 . H1' . . . . . 15 . H6 . . rr_1szy 1 255 1 . . 1 1 14 14 A H1' H . . . 1 1 15 15 C H5'' H . . . . . 2.400 0.000 4.800 . . . . . A . 14 A H1' . . A . 15 C H5'' . . . 14 . H1' . . . . . 15 . H5'' . . rr_1szy 1 256 1 . . 1 1 14 14 A H3' H . . . 1 1 15 15 C H6 H . . . . . 2.400 1.800 3.000 . . . . . A . 14 A H3' . . A . 15 C H6 . . . 14 . H3' . . . . . 15 . H6 . . rr_1szy 1 257 1 . . 1 1 15 15 C H1' H . . . 1 1 14 14 A H3' H . . . . . 4.000 3.000 5.000 . . . . . A . 15 C H1' . . A . 14 A H3' . . . 15 . H1' . . . . . 14 . H3' . . rr_1szy 1 258 1 . . 1 1 14 14 A H3' H . . . 1 1 15 15 C H5 H . . . . . 4.000 3.000 5.000 . . . . . A . 14 A H3' . . A . 15 C H5 . . . 14 . H3' . . . . . 15 . H5 . . rr_1szy 1 259 1 . . 1 1 14 14 A H4' H . . . 1 1 15 15 C H6 H . . . . . 4.000 3.000 5.000 . . . . . A . 14 A H4' . . A . 15 C H6 . . . 14 . H4' . . . . . 15 . H6 . . rr_1szy 1 260 1 . . 1 1 1 1 G H1' H . . . 1 1 1 1 G H2' H . . . . . 2.805 2.705 2.905 . . . . . A . 1 G H1' . . A . 1 G H2' . . . 1 . H1' . . . . . 1 . H2' . . rr_1szy 1 261 1 . . 1 1 1 1 G H1' H . . . 1 1 1 1 G H3' H . . . . . 3.857 3.757 3.957 . . . . . A . 1 G H1' . . A . 1 G H3' . . . 1 . H1' . . . . . 1 . H3' . . rr_1szy 1 262 1 . . 1 1 1 1 G H1' H . . . 1 1 1 1 G H4' H . . . . . 3.398 3.298 3.498 . . . . . A . 1 G H1' . . A . 1 G H4' . . . 1 . H1' . . . . . 1 . H4' . . rr_1szy 1 263 1 . . 1 1 1 1 G H1' H . . . 1 1 1 1 G H5' H . . . . . 4.577 4.477 4.677 . . . . . A . 1 G H1' . . A . 1 G H5' . . . 1 . H1' . . . . . 1 . H5' . . rr_1szy 1 264 1 . . 1 1 1 1 G H1' H . . . 1 1 1 1 G HO2' H . . . . . 2.565 2.465 2.665 . . . . . A . 1 G H1' . . A . 1 G HO2' . . . 1 . H1' . . . . . 1 . HO2' . . rr_1szy 1 265 1 . . 1 1 1 1 G H1' H . . . 1 1 1 1 G H21 H . . . . . 4.774 4.674 4.874 . . . . . A . 1 G H1' . . A . 1 G H21 . . . 1 . H1' . . . . . 1 . H21 . . rr_1szy 1 266 1 . . 1 1 1 1 G H1' H . . . 1 1 1 1 G H8 H . . . . . 3.727 3.627 3.827 . . . . . A . 1 G H1' . . A . 1 G H8 . . . 1 . H1' . . . . . 1 . H8 . . rr_1szy 1 267 1 . . 1 1 1 1 G H1' H . . . 1 1 2 2 G H5' H . . . . . 4.676 4.576 4.776 . . . . . A . 1 G H1' . . A . 2 G H5' . . . 1 . H1' . . . . . 2 . H5' . . rr_1szy 1 268 1 . . 1 1 1 1 G H1' H . . . 1 1 2 2 G H8 H . . . . . 4.319 4.219 4.419 . . . . . A . 1 G H1' . . A . 2 G H8 . . . 1 . H1' . . . . . 2 . H8 . . rr_1szy 1 269 1 . . 1 1 1 1 G H2' H . . . 1 1 1 1 G H3' H . . . . . 2.425 2.325 2.525 . . . . . A . 1 G H2' . . A . 1 G H3' . . . 1 . H2' . . . . . 1 . H3' . . rr_1szy 1 270 1 . . 1 1 1 1 G H2' H . . . 1 1 1 1 G H4' H . . . . . 3.813 3.713 3.913 . . . . . A . 1 G H2' . . A . 1 G H4' . . . 1 . H2' . . . . . 1 . H4' . . rr_1szy 1 271 1 . . 1 1 1 1 G H2' H . . . 1 1 1 1 G HO2' H . . . . . 2.946 2.846 3.046 . . . . . A . 1 G H2' . . A . 1 G HO2' . . . 1 . H2' . . . . . 1 . HO2' . . rr_1szy 1 272 1 . . 1 1 1 1 G H2' H . . . 1 1 1 1 G H21 H . . . . . 4.702 4.602 4.802 . . . . . A . 1 G H2' . . A . 1 G H21 . . . 1 . H2' . . . . . 1 . H21 . . rr_1szy 1 273 1 . . 1 1 1 1 G H2' H . . . 1 1 1 1 G H8 H . . . . . 4.149 4.049 4.249 . . . . . A . 1 G H2' . . A . 1 G H8 . . . 1 . H2' . . . . . 1 . H8 . . rr_1szy 1 274 1 . . 1 1 1 1 G H2' H . . . 1 1 2 2 G H1' H . . . . . 4.193 4.093 4.293 . . . . . A . 1 G H2' . . A . 2 G H1' . . . 1 . H2' . . . . . 2 . H1' . . rr_1szy 1 275 1 . . 1 1 1 1 G H2' H . . . 1 1 2 2 G H3' H . . . . . 4.263 4.163 4.363 . . . . . A . 1 G H2' . . A . 2 G H3' . . . 1 . H2' . . . . . 2 . H3' . . rr_1szy 1 276 1 . . 1 1 1 1 G H2' H . . . 1 1 2 2 G H4' H . . . . . 4.442 4.342 4.542 . . . . . A . 1 G H2' . . A . 2 G H4' . . . 1 . H2' . . . . . 2 . H4' . . rr_1szy 1 277 1 . . 1 1 1 1 G H2' H . . . 1 1 2 2 G H5' H . . . . . 2.890 2.790 2.990 . . . . . A . 1 G H2' . . A . 2 G H5' . . . 1 . H2' . . . . . 2 . H5' . . rr_1szy 1 278 1 . . 1 1 1 1 G H2' H . . . 1 1 2 2 G H5'' H . . . . . 4.268 4.168 4.368 . . . . . A . 1 G H2' . . A . 2 G H5'' . . . 1 . H2' . . . . . 2 . H5'' . . rr_1szy 1 279 1 . . 1 1 1 1 G H2' H . . . 1 1 2 2 G H8 H . . . . . 1.674 1.574 1.774 . . . . . A . 1 G H2' . . A . 2 G H8 . . . 1 . H2' . . . . . 2 . H8 . . rr_1szy 1 280 1 . . 1 1 1 1 G H3' H . . . 1 1 1 1 G H4' H . . . . . 3.007 2.907 3.107 . . . . . A . 1 G H3' . . A . 1 G H4' . . . 1 . H3' . . . . . 1 . H4' . . rr_1szy 1 281 1 . . 1 1 1 1 G H3' H . . . 1 1 1 1 G H5' H . . . . . 3.686 3.586 3.786 . . . . . A . 1 G H3' . . A . 1 G H5' . . . 1 . H3' . . . . . 1 . H5' . . rr_1szy 1 282 1 . . 1 1 1 1 G H3' H . . . 1 1 1 1 G H5'' H . . . . . 3.085 2.985 3.185 . . . . . A . 1 G H3' . . A . 1 G H5'' . . . 1 . H3' . . . . . 1 . H5'' . . rr_1szy 1 283 1 . . 1 1 1 1 G H3' H . . . 1 1 1 1 G HO2' H . . . . . 3.596 3.496 3.696 . . . . . A . 1 G H3' . . A . 1 G HO2' . . . 1 . H3' . . . . . 1 . HO2' . . rr_1szy 1 284 1 . . 1 1 1 1 G H3' H . . . 1 1 1 1 G H8 H . . . . . 3.196 3.096 3.296 . . . . . A . 1 G H3' . . A . 1 G H8 . . . 1 . H3' . . . . . 1 . H8 . . rr_1szy 1 285 1 . . 1 1 1 1 G H3' H . . . 1 1 2 2 G H5' H . . . . . 3.959 3.859 4.059 . . . . . A . 1 G H3' . . A . 2 G H5' . . . 1 . H3' . . . . . 2 . H5' . . rr_1szy 1 286 1 . . 1 1 1 1 G H3' H . . . 1 1 2 2 G H5'' H . . . . . 4.908 4.808 5.008 . . . . . A . 1 G H3' . . A . 2 G H5'' . . . 1 . H3' . . . . . 2 . H5'' . . rr_1szy 1 287 1 . . 1 1 1 1 G H3' H . . . 1 1 2 2 G H8 H . . . . . 3.024 2.924 3.124 . . . . . A . 1 G H3' . . A . 2 G H8 . . . 1 . H3' . . . . . 2 . H8 . . rr_1szy 1 288 1 . . 1 1 1 1 G H4' H . . . 1 1 1 1 G H5' H . . . . . 2.534 2.434 2.634 . . . . . A . 1 G H4' . . A . 1 G H5' . . . 1 . H4' . . . . . 1 . H5' . . rr_1szy 1 289 1 . . 1 1 1 1 G H4' H . . . 1 1 1 1 G H5'' H . . . . . 2.370 2.270 2.470 . . . . . A . 1 G H4' . . A . 1 G H5'' . . . 1 . H4' . . . . . 1 . H5'' . . rr_1szy 1 290 1 . . 1 1 1 1 G H4' H . . . 1 1 1 1 G HO2' H . . . . . 2.043 1.943 2.143 . . . . . A . 1 G H4' . . A . 1 G HO2' . . . 1 . H4' . . . . . 1 . HO2' . . rr_1szy 1 291 1 . . 1 1 1 1 G H4' H . . . 1 1 1 1 G H8 H . . . . . 4.410 4.310 4.510 . . . . . A . 1 G H4' . . A . 1 G H8 . . . 1 . H4' . . . . . 1 . H8 . . rr_1szy 1 292 1 . . 1 1 1 1 G H4' H . . . 1 1 2 2 G H5' H . . . . . 4.167 4.067 4.267 . . . . . A . 1 G H4' . . A . 2 G H5' . . . 1 . H4' . . . . . 2 . H5' . . rr_1szy 1 293 1 . . 1 1 1 1 G H5' H . . . 1 1 1 1 G H5'' H . . . . . 1.776 1.676 1.876 . . . . . A . 1 G H5' . . A . 1 G H5'' . . . 1 . H5' . . . . . 1 . H5'' . . rr_1szy 1 294 1 . . 1 1 1 1 G H5' H . . . 1 1 1 1 G HO2' H . . . . . 4.409 4.309 4.509 . . . . . A . 1 G H5' . . A . 1 G HO2' . . . 1 . H5' . . . . . 1 . HO2' . . rr_1szy 1 295 1 . . 1 1 1 1 G H5' H . . . 1 1 1 1 G H8 H . . . . . 3.565 3.465 3.665 . . . . . A . 1 G H5' . . A . 1 G H8 . . . 1 . H5' . . . . . 1 . H8 . . rr_1szy 1 296 1 . . 1 1 1 1 G HO2' H . . . 1 1 1 1 G H5'' H . . . . . 4.309 4.209 4.409 . . . . . A . 1 G HO2' . . A . 1 G H5'' . . . 1 . HO2' . . . . . 1 . H5'' . . rr_1szy 1 297 1 . . 1 1 1 1 G H8 H . . . 1 1 1 1 G H5'' H . . . . . 4.368 4.268 4.468 . . . . . A . 1 G H8 . . A . 1 G H5'' . . . 1 . H8 . . . . . 1 . H5'' . . rr_1szy 1 298 1 . . 1 1 1 1 G HO2' H . . . 1 1 2 2 G H5' H . . . . . 2.941 2.841 3.041 . . . . . A . 1 G HO2' . . A . 2 G H5' . . . 1 . HO2' . . . . . 2 . H5' . . rr_1szy 1 299 1 . . 1 1 1 1 G HO2' H . . . 1 1 2 2 G H5'' H . . . . . 4.601 4.501 4.701 . . . . . A . 1 G HO2' . . A . 2 G H5'' . . . 1 . HO2' . . . . . 2 . H5'' . . rr_1szy 1 300 1 . . 1 1 1 1 G HO2' H . . . 1 1 2 2 G H8 H . . . . . 4.548 4.448 4.648 . . . . . A . 1 G HO2' . . A . 2 G H8 . . . 1 . HO2' . . . . . 2 . H8 . . rr_1szy 1 301 1 . . 1 1 1 1 G H21 H . . . 1 1 1 1 G H22 H . . . . . 1.784 1.684 1.884 . . . . . A . 1 G H21 . . A . 1 G H22 . . . 1 . H21 . . . . . 1 . H22 . . rr_1szy 1 302 1 . . 1 1 1 1 G H21 H . . . 1 1 1 1 G H1 H . . . . . 3.480 3.380 3.580 . . . . . A . 1 G H21 . . A . 1 G H1 . . . 1 . H21 . . . . . 1 . H1 . . rr_1szy 1 303 1 . . 1 1 1 1 G H21 H . . . 1 1 2 2 G H1' H . . . . . 3.255 3.155 3.355 . . . . . A . 1 G H21 . . A . 2 G H1' . . . 1 . H21 . . . . . 2 . H1' . . rr_1szy 1 304 1 . . 1 1 1 1 G H21 H . . . 1 1 2 2 G H8 H . . . . . 4.876 4.776 4.976 . . . . . A . 1 G H21 . . A . 2 G H8 . . . 1 . H21 . . . . . 2 . H8 . . rr_1szy 1 305 1 . . 1 1 1 1 G H22 H . . . 1 1 1 1 G H1 H . . . . . 2.168 2.068 2.268 . . . . . A . 1 G H22 . . A . 1 G H1 . . . 1 . H22 . . . . . 1 . H1 . . rr_1szy 1 306 1 . . 1 1 2 2 G H1' H . . . 1 1 1 1 G H22 H . . . . . 4.205 4.105 4.305 . . . . . A . 2 G H1' . . A . 1 G H22 . . . 2 . H1' . . . . . 1 . H22 . . rr_1szy 1 307 1 . . 1 1 1 1 G H22 H . . . 1 1 2 2 G H21 H . . . . . 4.773 4.673 4.873 . . . . . A . 1 G H22 . . A . 2 G H21 . . . 1 . H22 . . . . . 2 . H21 . . rr_1szy 1 308 1 . . 1 1 1 1 G H22 H . . . 1 1 2 2 G H1 H . . . . . 4.790 4.690 4.890 . . . . . A . 1 G H22 . . A . 2 G H1 . . . 1 . H22 . . . . . 2 . H1 . . rr_1szy 1 309 1 . . 1 1 1 1 G H22 H . . . 1 1 21 21 C H1' H . . . . . 4.317 4.217 4.417 . . . . . A . 1 G H22 . . A . 21 C H1' . . . 1 . H22 . . . . . 21 . H1' . . rr_1szy 1 310 1 . . 1 1 1 1 G H22 H . . . 1 1 21 21 C H2' H . . . . . 4.667 4.567 4.767 . . . . . A . 1 G H22 . . A . 21 C H2' . . . 1 . H22 . . . . . 21 . H2' . . rr_1szy 1 311 1 . . 1 1 1 1 G H22 H . . . 1 1 21 21 C H42 H . . . . . 4.566 4.466 4.666 . . . . . A . 1 G H22 . . A . 21 C H42 . . . 1 . H22 . . . . . 21 . H42 . . rr_1szy 1 312 1 . . 1 1 1 1 G H8 H . . . 1 1 2 2 G H8 H . . . . . 4.797 4.697 4.897 . . . . . A . 1 G H8 . . A . 2 G H8 . . . 1 . H8 . . . . . 2 . H8 . . rr_1szy 1 313 1 . . 1 1 1 1 G H1 H . . . 1 1 2 2 G H1 H . . . . . 4.082 3.982 4.182 . . . . . A . 1 G H1 . . A . 2 G H1 . . . 1 . H1 . . . . . 2 . H1 . . rr_1szy 1 314 1 . . 1 1 1 1 G H1 H . . . 1 1 20 20 C H42 H . . . . . 4.748 4.648 4.848 . . . . . A . 1 G H1 . . A . 20 C H42 . . . 1 . H1 . . . . . 20 . H42 . . rr_1szy 1 315 1 . . 1 1 1 1 G H1 H . . . 1 1 21 21 C H41 H . . . . . 4.023 3.923 4.123 . . . . . A . 1 G H1 . . A . 21 C H41 . . . 1 . H1 . . . . . 21 . H41 . . rr_1szy 1 316 1 . . 1 1 1 1 G H1 H . . . 1 1 21 21 C H42 H . . . . . 2.479 2.379 2.579 . . . . . A . 1 G H1 . . A . 21 C H42 . . . 1 . H1 . . . . . 21 . H42 . . rr_1szy 1 317 1 . . 1 1 2 2 G H1' H . . . 1 1 2 2 G H2' H . . . . . 2.805 2.705 2.905 . . . . . A . 2 G H1' . . A . 2 G H2' . . . 2 . H1' . . . . . 2 . H2' . . rr_1szy 1 318 1 . . 1 1 2 2 G H1' H . . . 1 1 2 2 G H3' H . . . . . 3.857 3.757 3.957 . . . . . A . 2 G H1' . . A . 2 G H3' . . . 2 . H1' . . . . . 2 . H3' . . rr_1szy 1 319 1 . . 1 1 2 2 G H1' H . . . 1 1 2 2 G H4' H . . . . . 3.397 3.297 3.497 . . . . . A . 2 G H1' . . A . 2 G H4' . . . 2 . H1' . . . . . 2 . H4' . . rr_1szy 1 320 1 . . 1 1 2 2 G H5' H . . . 1 1 2 2 G H1' H . . . . . 4.577 4.477 4.677 . . . . . A . 2 G H5' . . A . 2 G H1' . . . 2 . H5' . . . . . 2 . H1' . . rr_1szy 1 321 1 . . 1 1 2 2 G H1' H . . . 1 1 2 2 G HO2' H . . . . . 2.564 2.464 2.664 . . . . . A . 2 G H1' . . A . 2 G HO2' . . . 2 . H1' . . . . . 2 . HO2' . . rr_1szy 1 322 1 . . 1 1 2 2 G H1' H . . . 1 1 2 2 G H21 H . . . . . 4.775 4.675 4.875 . . . . . A . 2 G H1' . . A . 2 G H21 . . . 2 . H1' . . . . . 2 . H21 . . rr_1szy 1 323 1 . . 1 1 2 2 G H8 H . . . 1 1 2 2 G H1' H . . . . . 3.727 3.627 3.827 . . . . . A . 2 G H8 . . A . 2 G H1' . . . 2 . H8 . . . . . 2 . H1' . . rr_1szy 1 324 1 . . 1 1 2 2 G H1' H . . . 1 1 3 3 C H5' H . . . . . 4.677 4.577 4.777 . . . . . A . 2 G H1' . . A . 3 C H5' . . . 2 . H1' . . . . . 3 . H5' . . rr_1szy 1 325 1 . . 1 1 2 2 G H1' H . . . 1 1 3 3 C H6 H . . . . . 4.298 4.198 4.398 . . . . . A . 2 G H1' . . A . 3 C H6 . . . 2 . H1' . . . . . 3 . H6 . . rr_1szy 1 326 1 . . 1 1 2 2 G H1' H . . . 1 1 3 3 C H5 H . . . . . 4.980 4.880 5.080 . . . . . A . 2 G H1' . . A . 3 C H5 . . . 2 . H1' . . . . . 3 . H5 . . rr_1szy 1 327 1 . . 1 1 2 2 G H3' H . . . 1 1 2 2 G H2' H . . . . . 2.425 2.325 2.525 . . . . . A . 2 G H3' . . A . 2 G H2' . . . 2 . H3' . . . . . 2 . H2' . . rr_1szy 1 328 1 . . 1 1 2 2 G H4' H . . . 1 1 2 2 G H2' H . . . . . 3.812 3.712 3.912 . . . . . A . 2 G H4' . . A . 2 G H2' . . . 2 . H4' . . . . . 2 . H2' . . rr_1szy 1 329 1 . . 1 1 2 2 G H2' H . . . 1 1 2 2 G HO2' H . . . . . 2.946 2.846 3.046 . . . . . A . 2 G H2' . . A . 2 G HO2' . . . 2 . H2' . . . . . 2 . HO2' . . rr_1szy 1 330 1 . . 1 1 2 2 G H21 H . . . 1 1 2 2 G H2' H . . . . . 4.702 4.602 4.802 . . . . . A . 2 G H21 . . A . 2 G H2' . . . 2 . H21 . . . . . 2 . H2' . . rr_1szy 1 331 1 . . 1 1 2 2 G H8 H . . . 1 1 2 2 G H2' H . . . . . 4.150 4.050 4.250 . . . . . A . 2 G H8 . . A . 2 G H2' . . . 2 . H8 . . . . . 2 . H2' . . rr_1szy 1 332 1 . . 1 1 2 2 G H2' H . . . 1 1 3 3 C H1' H . . . . . 4.192 4.092 4.292 . . . . . A . 2 G H2' . . A . 3 C H1' . . . 2 . H2' . . . . . 3 . H1' . . rr_1szy 1 333 1 . . 1 1 2 2 G H2' H . . . 1 1 3 3 C H3' H . . . . . 4.263 4.163 4.363 . . . . . A . 2 G H2' . . A . 3 C H3' . . . 2 . H2' . . . . . 3 . H3' . . rr_1szy 1 334 1 . . 1 1 2 2 G H2' H . . . 1 1 3 3 C H4' H . . . . . 4.442 4.342 4.542 . . . . . A . 2 G H2' . . A . 3 C H4' . . . 2 . H2' . . . . . 3 . H4' . . rr_1szy 1 335 1 . . 1 1 2 2 G H2' H . . . 1 1 3 3 C H5' H . . . . . 2.890 2.790 2.990 . . . . . A . 2 G H2' . . A . 3 C H5' . . . 2 . H2' . . . . . 3 . H5' . . rr_1szy 1 336 1 . . 1 1 2 2 G H2' H . . . 1 1 3 3 C H5'' H . . . . . 4.268 4.168 4.368 . . . . . A . 2 G H2' . . A . 3 C H5'' . . . 2 . H2' . . . . . 3 . H5'' . . rr_1szy 1 337 1 . . 1 1 2 2 G H2' H . . . 1 1 3 3 C H6 H . . . . . 1.583 1.483 1.683 . . . . . A . 2 G H2' . . A . 3 C H6 . . . 2 . H2' . . . . . 3 . H6 . . rr_1szy 1 338 1 . . 1 1 2 2 G H2' H . . . 1 1 3 3 C H5 H . . . . . 3.090 2.990 3.190 . . . . . A . 2 G H2' . . A . 3 C H5 . . . 2 . H2' . . . . . 3 . H5 . . rr_1szy 1 339 1 . . 1 1 2 2 G H3' H . . . 1 1 2 2 G H4' H . . . . . 3.006 2.906 3.106 . . . . . A . 2 G H3' . . A . 2 G H4' . . . 2 . H3' . . . . . 2 . H4' . . rr_1szy 1 340 1 . . 1 1 2 2 G H5' H . . . 1 1 2 2 G H3' H . . . . . 3.686 3.586 3.786 . . . . . A . 2 G H5' . . A . 2 G H3' . . . 2 . H5' . . . . . 2 . H3' . . rr_1szy 1 341 1 . . 1 1 2 2 G H3' H . . . 1 1 2 2 G H5'' H . . . . . 3.085 2.985 3.185 . . . . . A . 2 G H3' . . A . 2 G H5'' . . . 2 . H3' . . . . . 2 . H5'' . . rr_1szy 1 342 1 . . 1 1 2 2 G H3' H . . . 1 1 2 2 G HO2' H . . . . . 3.596 3.496 3.696 . . . . . A . 2 G H3' . . A . 2 G HO2' . . . 2 . H3' . . . . . 2 . HO2' . . rr_1szy 1 343 1 . . 1 1 2 2 G H8 H . . . 1 1 2 2 G H3' H . . . . . 3.196 3.096 3.296 . . . . . A . 2 G H8 . . A . 2 G H3' . . . 2 . H8 . . . . . 2 . H3' . . rr_1szy 1 344 1 . . 1 1 2 2 G H3' H . . . 1 1 3 3 C H5' H . . . . . 3.958 3.858 4.058 . . . . . A . 2 G H3' . . A . 3 C H5' . . . 2 . H3' . . . . . 3 . H5' . . rr_1szy 1 345 1 . . 1 1 2 2 G H3' H . . . 1 1 3 3 C H5'' H . . . . . 4.908 4.808 5.008 . . . . . A . 2 G H3' . . A . 3 C H5'' . . . 2 . H3' . . . . . 3 . H5'' . . rr_1szy 1 346 1 . . 1 1 2 2 G H3' H . . . 1 1 3 3 C H6 H . . . . . 3.105 3.005 3.205 . . . . . A . 2 G H3' . . A . 3 C H6 . . . 2 . H3' . . . . . 3 . H6 . . rr_1szy 1 347 1 . . 1 1 2 2 G H3' H . . . 1 1 3 3 C H5 H . . . . . 3.314 3.214 3.414 . . . . . A . 2 G H3' . . A . 3 C H5 . . . 2 . H3' . . . . . 3 . H5 . . rr_1szy 1 348 1 . . 1 1 2 2 G H5' H . . . 1 1 2 2 G H4' H . . . . . 2.534 2.434 2.634 . . . . . A . 2 G H5' . . A . 2 G H4' . . . 2 . H5' . . . . . 2 . H4' . . rr_1szy 1 349 1 . . 1 1 2 2 G H4' H . . . 1 1 2 2 G H5'' H . . . . . 2.371 2.271 2.471 . . . . . A . 2 G H4' . . A . 2 G H5'' . . . 2 . H4' . . . . . 2 . H5'' . . rr_1szy 1 350 1 . . 1 1 2 2 G H4' H . . . 1 1 2 2 G HO2' H . . . . . 2.043 1.943 2.143 . . . . . A . 2 G H4' . . A . 2 G HO2' . . . 2 . H4' . . . . . 2 . HO2' . . rr_1szy 1 351 1 . . 1 1 2 2 G H8 H . . . 1 1 2 2 G H4' H . . . . . 4.410 4.310 4.510 . . . . . A . 2 G H8 . . A . 2 G H4' . . . 2 . H8 . . . . . 2 . H4' . . rr_1szy 1 352 1 . . 1 1 2 2 G H4' H . . . 1 1 3 3 C H5' H . . . . . 4.167 4.067 4.267 . . . . . A . 2 G H4' . . A . 3 C H5' . . . 2 . H4' . . . . . 3 . H5' . . rr_1szy 1 353 1 . . 1 1 2 2 G H5' H . . . 1 1 2 2 G H5'' H . . . . . 1.776 1.676 1.876 . . . . . A . 2 G H5' . . A . 2 G H5'' . . . 2 . H5' . . . . . 2 . H5'' . . rr_1szy 1 354 1 . . 1 1 2 2 G H5' H . . . 1 1 2 2 G HO2' H . . . . . 4.410 4.310 4.510 . . . . . A . 2 G H5' . . A . 2 G HO2' . . . 2 . H5' . . . . . 2 . HO2' . . rr_1szy 1 355 1 . . 1 1 2 2 G H5' H . . . 1 1 2 2 G H8 H . . . . . 3.565 3.465 3.665 . . . . . A . 2 G H5' . . A . 2 G H8 . . . 2 . H5' . . . . . 2 . H8 . . rr_1szy 1 356 1 . . 1 1 2 2 G H5'' H . . . 1 1 2 2 G HO2' H . . . . . 4.310 4.210 4.410 . . . . . A . 2 G H5'' . . A . 2 G HO2' . . . 2 . H5'' . . . . . 2 . HO2' . . rr_1szy 1 357 1 . . 1 1 2 2 G H8 H . . . 1 1 2 2 G H5'' H . . . . . 4.368 4.268 4.468 . . . . . A . 2 G H8 . . A . 2 G H5'' . . . 2 . H8 . . . . . 2 . H5'' . . rr_1szy 1 358 1 . . 1 1 2 2 G HO2' H . . . 1 1 3 3 C H5' H . . . . . 2.941 2.841 3.041 . . . . . A . 2 G HO2' . . A . 3 C H5' . . . 2 . HO2' . . . . . 3 . H5' . . rr_1szy 1 359 1 . . 1 1 2 2 G HO2' H . . . 1 1 3 3 C H5'' H . . . . . 4.601 4.501 4.701 . . . . . A . 2 G HO2' . . A . 3 C H5'' . . . 2 . HO2' . . . . . 3 . H5'' . . rr_1szy 1 360 1 . . 1 1 2 2 G HO2' H . . . 1 1 3 3 C H6 H . . . . . 4.372 4.272 4.472 . . . . . A . 2 G HO2' . . A . 3 C H6 . . . 2 . HO2' . . . . . 3 . H6 . . rr_1szy 1 361 1 . . 1 1 2 2 G H21 H . . . 1 1 2 2 G H22 H . . . . . 1.784 1.684 1.884 . . . . . A . 2 G H21 . . A . 2 G H22 . . . 2 . H21 . . . . . 2 . H22 . . rr_1szy 1 362 1 . . 1 1 2 2 G H21 H . . . 1 1 2 2 G H1 H . . . . . 3.480 3.380 3.580 . . . . . A . 2 G H21 . . A . 2 G H1 . . . 2 . H21 . . . . . 2 . H1 . . rr_1szy 1 363 1 . . 1 1 2 2 G H21 H . . . 1 1 3 3 C H1' H . . . . . 3.255 3.155 3.355 . . . . . A . 2 G H21 . . A . 3 C H1' . . . 2 . H21 . . . . . 3 . H1' . . rr_1szy 1 364 1 . . 1 1 2 2 G H21 H . . . 1 1 3 3 C H6 H . . . . . 4.826 4.726 4.926 . . . . . A . 2 G H21 . . A . 3 C H6 . . . 2 . H21 . . . . . 3 . H6 . . rr_1szy 1 365 1 . . 1 1 2 2 G H21 H . . . 1 1 19 19 G H22 H . . . . . 4.571 4.471 4.671 . . . . . A . 2 G H21 . . A . 19 G H22 . . . 2 . H21 . . . . . 19 . H22 . . rr_1szy 1 366 1 . . 1 1 2 2 G H21 H . . . 1 1 21 21 C H1' H . . . . . 4.493 4.393 4.593 . . . . . A . 2 G H21 . . A . 21 C H1' . . . 2 . H21 . . . . . 21 . H1' . . rr_1szy 1 367 1 . . 1 1 2 2 G H1 H . . . 1 1 2 2 G H22 H . . . . . 2.169 2.069 2.269 . . . . . A . 2 G H1 . . A . 2 G H22 . . . 2 . H1 . . . . . 2 . H22 . . rr_1szy 1 368 1 . . 1 1 3 3 C H1' H . . . 1 1 2 2 G H22 H . . . . . 4.205 4.105 4.305 . . . . . A . 3 C H1' . . A . 2 G H22 . . . 3 . H1' . . . . . 2 . H22 . . rr_1szy 1 369 1 . . 1 1 2 2 G H22 H . . . 1 1 19 19 G H21 H . . . . . 4.571 4.471 4.671 . . . . . A . 2 G H22 . . A . 19 G H21 . . . 2 . H22 . . . . . 19 . H21 . . rr_1szy 1 370 1 . . 1 1 2 2 G H22 H . . . 1 1 19 19 G H22 H . . . . . 3.565 3.465 3.665 . . . . . A . 2 G H22 . . A . 19 G H22 . . . 2 . H22 . . . . . 19 . H22 . . rr_1szy 1 371 1 . . 1 1 2 2 G H22 H . . . 1 1 19 19 G H1 H . . . . . 4.137 4.037 4.237 . . . . . A . 2 G H22 . . A . 19 G H1 . . . 2 . H22 . . . . . 19 . H1 . . rr_1szy 1 372 1 . . 1 1 2 2 G H22 H . . . 1 1 20 20 C H1' H . . . . . 4.317 4.217 4.417 . . . . . A . 2 G H22 . . A . 20 C H1' . . . 2 . H22 . . . . . 20 . H1' . . rr_1szy 1 373 1 . . 1 1 2 2 G H22 H . . . 1 1 20 20 C H2' H . . . . . 4.666 4.566 4.766 . . . . . A . 2 G H22 . . A . 20 C H2' . . . 2 . H22 . . . . . 20 . H2' . . rr_1szy 1 374 1 . . 1 1 20 20 C H42 H . . . 1 1 2 2 G H22 H . . . . . 4.566 4.466 4.666 . . . . . A . 20 C H42 . . A . 2 G H22 . . . 20 . H42 . . . . . 2 . H22 . . rr_1szy 1 375 1 . . 1 1 21 21 C H1' H . . . 1 1 2 2 G H22 H . . . . . 4.374 4.274 4.474 . . . . . A . 21 C H1' . . A . 2 G H22 . . . 21 . H1' . . . . . 2 . H22 . . rr_1szy 1 376 1 . . 1 1 2 2 G H22 H . . . 1 1 21 21 C H6 H . . . . . 4.961 4.861 5.061 . . . . . A . 2 G H22 . . A . 21 C H6 . . . 2 . H22 . . . . . 21 . H6 . . rr_1szy 1 377 1 . . 1 1 2 2 G H8 H . . . 1 1 3 3 C H5 H . . . . . 3.899 3.799 3.999 . . . . . A . 2 G H8 . . A . 3 C H5 . . . 2 . H8 . . . . . 3 . H5 . . rr_1szy 1 378 1 . . 1 1 2 2 G H1 H . . . 1 1 3 3 C H41 H . . . . . 4.353 4.253 4.453 . . . . . A . 2 G H1 . . A . 3 C H41 . . . 2 . H1 . . . . . 3 . H41 . . rr_1szy 1 379 1 . . 1 1 2 2 G H1 H . . . 1 1 3 3 C H42 H . . . . . 3.748 3.648 3.848 . . . . . A . 2 G H1 . . A . 3 C H42 . . . 2 . H1 . . . . . 3 . H42 . . rr_1szy 1 380 1 . . 1 1 2 2 G H1 H . . . 1 1 3 3 C H5 H . . . . . 4.950 4.850 5.050 . . . . . A . 2 G H1 . . A . 3 C H5 . . . 2 . H1 . . . . . 3 . H5 . . rr_1szy 1 381 1 . . 1 1 2 2 G H1 H . . . 1 1 19 19 G H22 H . . . . . 4.137 4.037 4.237 . . . . . A . 2 G H1 . . A . 19 G H22 . . . 2 . H1 . . . . . 19 . H22 . . rr_1szy 1 382 1 . . 1 1 2 2 G H1 H . . . 1 1 19 19 G H1 H . . . . . 3.520 3.420 3.620 . . . . . A . 2 G H1 . . A . 19 G H1 . . . 2 . H1 . . . . . 19 . H1 . . rr_1szy 1 383 1 . . 1 1 2 2 G H1 H . . . 1 1 20 20 C H41 H . . . . . 4.022 3.922 4.122 . . . . . A . 2 G H1 . . A . 20 C H41 . . . 2 . H1 . . . . . 20 . H41 . . rr_1szy 1 384 1 . . 1 1 2 2 G H1 H . . . 1 1 20 20 C H42 H . . . . . 2.478 2.378 2.578 . . . . . A . 2 G H1 . . A . 20 C H42 . . . 2 . H1 . . . . . 20 . H42 . . rr_1szy 1 385 1 . . 1 1 2 2 G H1 H . . . 1 1 21 21 C H41 H . . . . . 4.084 3.984 4.184 . . . . . A . 2 G H1 . . A . 21 C H41 . . . 2 . H1 . . . . . 21 . H41 . . rr_1szy 1 386 1 . . 1 1 2 2 G H1 H . . . 1 1 21 21 C H42 H . . . . . 3.888 3.788 3.988 . . . . . A . 2 G H1 . . A . 21 C H42 . . . 2 . H1 . . . . . 21 . H42 . . rr_1szy 1 387 1 . . 1 1 2 2 G H1 H . . . 1 1 21 21 C H5 H . . . . . 4.398 4.298 4.498 . . . . . A . 2 G H1 . . A . 21 C H5 . . . 2 . H1 . . . . . 21 . H5 . . rr_1szy 1 388 1 . . 1 1 3 3 C H1' H . . . 1 1 3 3 C H2' H . . . . . 2.805 2.705 2.905 . . . . . A . 3 C H1' . . A . 3 C H2' . . . 3 . H1' . . . . . 3 . H2' . . rr_1szy 1 389 1 . . 1 1 3 3 C H1' H . . . 1 1 3 3 C H3' H . . . . . 3.857 3.757 3.957 . . . . . A . 3 C H1' . . A . 3 C H3' . . . 3 . H1' . . . . . 3 . H3' . . rr_1szy 1 390 1 . . 1 1 3 3 C H1' H . . . 1 1 3 3 C H4' H . . . . . 3.397 3.297 3.497 . . . . . A . 3 C H1' . . A . 3 C H4' . . . 3 . H1' . . . . . 3 . H4' . . rr_1szy 1 391 1 . . 1 1 3 3 C H5' H . . . 1 1 3 3 C H1' H . . . . . 4.576 4.476 4.676 . . . . . A . 3 C H5' . . A . 3 C H1' . . . 3 . H5' . . . . . 3 . H1' . . rr_1szy 1 392 1 . . 1 1 3 3 C H1' H . . . 1 1 3 3 C HO2' H . . . . . 2.564 2.464 2.664 . . . . . A . 3 C H1' . . A . 3 C HO2' . . . 3 . H1' . . . . . 3 . HO2' . . rr_1szy 1 393 1 . . 1 1 3 3 C H6 H . . . 1 1 3 3 C H1' H . . . . . 3.520 3.420 3.620 . . . . . A . 3 C H6 . . A . 3 C H1' . . . 3 . H6 . . . . . 3 . H1' . . rr_1szy 1 394 1 . . 1 1 3 3 C H1' H . . . 1 1 4 4 A H5' H . . . . . 4.676 4.576 4.776 . . . . . A . 3 C H1' . . A . 4 A H5' . . . 3 . H1' . . . . . 4 . H5' . . rr_1szy 1 395 1 . . 1 1 3 3 C H1' H . . . 1 1 4 4 A H8 H . . . . . 4.320 4.220 4.420 . . . . . A . 3 C H1' . . A . 4 A H8 . . . 3 . H1' . . . . . 4 . H8 . . rr_1szy 1 396 1 . . 1 1 3 3 C H1' H . . . 1 1 19 19 G H22 H . . . . . 4.317 4.217 4.417 . . . . . A . 3 C H1' . . A . 19 G H22 . . . 3 . H1' . . . . . 19 . H22 . . rr_1szy 1 397 1 . . 1 1 3 3 C H3' H . . . 1 1 3 3 C H2' H . . . . . 2.425 2.325 2.525 . . . . . A . 3 C H3' . . A . 3 C H2' . . . 3 . H3' . . . . . 3 . H2' . . rr_1szy 1 398 1 . . 1 1 3 3 C H4' H . . . 1 1 3 3 C H2' H . . . . . 3.813 3.713 3.913 . . . . . A . 3 C H4' . . A . 3 C H2' . . . 3 . H4' . . . . . 3 . H2' . . rr_1szy 1 399 1 . . 1 1 3 3 C H2' H . . . 1 1 3 3 C HO2' H . . . . . 2.947 2.847 3.047 . . . . . A . 3 C H2' . . A . 3 C HO2' . . . 3 . H2' . . . . . 3 . HO2' . . rr_1szy 1 400 1 . . 1 1 3 3 C H6 H . . . 1 1 3 3 C H2' H . . . . . 3.999 3.899 4.099 . . . . . A . 3 C H6 . . A . 3 C H2' . . . 3 . H6 . . . . . 3 . H2' . . rr_1szy 1 401 1 . . 1 1 3 3 C H2' H . . . 1 1 4 4 A H1' H . . . . . 4.192 4.092 4.292 . . . . . A . 3 C H2' . . A . 4 A H1' . . . 3 . H2' . . . . . 4 . H1' . . rr_1szy 1 402 1 . . 1 1 3 3 C H2' H . . . 1 1 4 4 A H3' H . . . . . 4.263 4.163 4.363 . . . . . A . 3 C H2' . . A . 4 A H3' . . . 3 . H2' . . . . . 4 . H3' . . rr_1szy 1 403 1 . . 1 1 3 3 C H2' H . . . 1 1 4 4 A H4' H . . . . . 4.442 4.342 4.542 . . . . . A . 3 C H2' . . A . 4 A H4' . . . 3 . H2' . . . . . 4 . H4' . . rr_1szy 1 404 1 . . 1 1 3 3 C H2' H . . . 1 1 4 4 A H5' H . . . . . 2.891 2.791 2.991 . . . . . A . 3 C H2' . . A . 4 A H5' . . . 3 . H2' . . . . . 4 . H5' . . rr_1szy 1 405 1 . . 1 1 3 3 C H2' H . . . 1 1 4 4 A H5'' H . . . . . 4.268 4.168 4.368 . . . . . A . 3 C H2' . . A . 4 A H5'' . . . 3 . H2' . . . . . 4 . H5'' . . rr_1szy 1 406 1 . . 1 1 3 3 C H2' H . . . 1 1 4 4 A H8 H . . . . . 1.662 1.562 1.762 . . . . . A . 3 C H2' . . A . 4 A H8 . . . 3 . H2' . . . . . 4 . H8 . . rr_1szy 1 407 1 . . 1 1 19 19 G H22 H . . . 1 1 3 3 C H2' H . . . . . 4.666 4.566 4.766 . . . . . A . 19 G H22 . . A . 3 C H2' . . . 19 . H22 . . . . . 3 . H2' . . rr_1szy 1 408 1 . . 1 1 3 3 C H3' H . . . 1 1 3 3 C H4' H . . . . . 3.007 2.907 3.107 . . . . . A . 3 C H3' . . A . 3 C H4' . . . 3 . H3' . . . . . 3 . H4' . . rr_1szy 1 409 1 . . 1 1 3 3 C H5' H . . . 1 1 3 3 C H3' H . . . . . 3.686 3.586 3.786 . . . . . A . 3 C H5' . . A . 3 C H3' . . . 3 . H5' . . . . . 3 . H3' . . rr_1szy 1 410 1 . . 1 1 3 3 C H3' H . . . 1 1 3 3 C H5'' H . . . . . 3.085 2.985 3.185 . . . . . A . 3 C H3' . . A . 3 C H5'' . . . 3 . H3' . . . . . 3 . H5'' . . rr_1szy 1 411 1 . . 1 1 3 3 C H3' H . . . 1 1 3 3 C HO2' H . . . . . 3.595 3.495 3.695 . . . . . A . 3 C H3' . . A . 3 C HO2' . . . 3 . H3' . . . . . 3 . HO2' . . rr_1szy 1 412 1 . . 1 1 3 3 C H6 H . . . 1 1 3 3 C H3' H . . . . . 2.988 2.888 3.088 . . . . . A . 3 C H6 . . A . 3 C H3' . . . 3 . H6 . . . . . 3 . H3' . . rr_1szy 1 413 1 . . 1 1 3 3 C H5 H . . . 1 1 3 3 C H3' H . . . . . 4.769 4.669 4.869 . . . . . A . 3 C H5 . . A . 3 C H3' . . . 3 . H5 . . . . . 3 . H3' . . rr_1szy 1 414 1 . . 1 1 3 3 C H3' H . . . 1 1 4 4 A H5' H . . . . . 3.958 3.858 4.058 . . . . . A . 3 C H3' . . A . 4 A H5' . . . 3 . H3' . . . . . 4 . H5' . . rr_1szy 1 415 1 . . 1 1 3 3 C H3' H . . . 1 1 4 4 A H5'' H . . . . . 4.908 4.808 5.008 . . . . . A . 3 C H3' . . A . 4 A H5'' . . . 3 . H3' . . . . . 4 . H5'' . . rr_1szy 1 416 1 . . 1 1 3 3 C H3' H . . . 1 1 4 4 A H8 H . . . . . 3.033 2.933 3.133 . . . . . A . 3 C H3' . . A . 4 A H8 . . . 3 . H3' . . . . . 4 . H8 . . rr_1szy 1 417 1 . . 1 1 3 3 C H5' H . . . 1 1 3 3 C H4' H . . . . . 2.534 2.434 2.634 . . . . . A . 3 C H5' . . A . 3 C H4' . . . 3 . H5' . . . . . 3 . H4' . . rr_1szy 1 418 1 . . 1 1 3 3 C H4' H . . . 1 1 3 3 C H5'' H . . . . . 2.370 2.270 2.470 . . . . . A . 3 C H4' . . A . 3 C H5'' . . . 3 . H4' . . . . . 3 . H5'' . . rr_1szy 1 419 1 . . 1 1 3 3 C H4' H . . . 1 1 3 3 C HO2' H . . . . . 2.043 1.943 2.143 . . . . . A . 3 C H4' . . A . 3 C HO2' . . . 3 . H4' . . . . . 3 . HO2' . . rr_1szy 1 420 1 . . 1 1 3 3 C H6 H . . . 1 1 3 3 C H4' H . . . . . 4.053 3.953 4.153 . . . . . A . 3 C H6 . . A . 3 C H4' . . . 3 . H6 . . . . . 3 . H4' . . rr_1szy 1 421 1 . . 1 1 3 3 C H4' H . . . 1 1 4 4 A H5' H . . . . . 4.166 4.066 4.266 . . . . . A . 3 C H4' . . A . 4 A H5' . . . 3 . H4' . . . . . 4 . H5' . . rr_1szy 1 422 1 . . 1 1 3 3 C H5' H . . . 1 1 3 3 C H5'' H . . . . . 1.776 1.676 1.876 . . . . . A . 3 C H5' . . A . 3 C H5'' . . . 3 . H5' . . . . . 3 . H5'' . . rr_1szy 1 423 1 . . 1 1 3 3 C H5' H . . . 1 1 3 3 C HO2' H . . . . . 4.409 4.309 4.509 . . . . . A . 3 C H5' . . A . 3 C HO2' . . . 3 . H5' . . . . . 3 . HO2' . . rr_1szy 1 424 1 . . 1 1 3 3 C H5' H . . . 1 1 3 3 C H6 H . . . . . 3.241 3.141 3.341 . . . . . A . 3 C H5' . . A . 3 C H6 . . . 3 . H5' . . . . . 3 . H6 . . rr_1szy 1 425 1 . . 1 1 3 3 C H5'' H . . . 1 1 3 3 C HO2' H . . . . . 4.309 4.209 4.409 . . . . . A . 3 C H5'' . . A . 3 C HO2' . . . 3 . H5'' . . . . . 3 . HO2' . . rr_1szy 1 426 1 . . 1 1 3 3 C H6 H . . . 1 1 3 3 C H5'' H . . . . . 4.056 3.956 4.156 . . . . . A . 3 C H6 . . A . 3 C H5'' . . . 3 . H6 . . . . . 3 . H5'' . . rr_1szy 1 427 1 . . 1 1 3 3 C H6 H . . . 1 1 3 3 C HO2' H . . . . . 4.846 4.746 4.946 . . . . . A . 3 C H6 . . A . 3 C HO2' . . . 3 . H6 . . . . . 3 . HO2' . . rr_1szy 1 428 1 . . 1 1 3 3 C HO2' H . . . 1 1 4 4 A H5' H . . . . . 2.941 2.841 3.041 . . . . . A . 3 C HO2' . . A . 4 A H5' . . . 3 . HO2' . . . . . 4 . H5' . . rr_1szy 1 429 1 . . 1 1 3 3 C HO2' H . . . 1 1 4 4 A H5'' H . . . . . 4.602 4.502 4.702 . . . . . A . 3 C HO2' . . A . 4 A H5'' . . . 3 . HO2' . . . . . 4 . H5'' . . rr_1szy 1 430 1 . . 1 1 3 3 C HO2' H . . . 1 1 4 4 A H8 H . . . . . 4.527 4.427 4.627 . . . . . A . 3 C HO2' . . A . 4 A H8 . . . 3 . HO2' . . . . . 4 . H8 . . rr_1szy 1 431 1 . . 1 1 3 3 C H41 H . . . 1 1 3 3 C H42 H . . . . . 1.784 1.684 1.884 . . . . . A . 3 C H41 . . A . 3 C H42 . . . 3 . H41 . . . . . 3 . H42 . . rr_1szy 1 432 1 . . 1 1 3 3 C H6 H . . . 1 1 3 3 C H41 H . . . . . 4.650 4.550 4.750 . . . . . A . 3 C H6 . . A . 3 C H41 . . . 3 . H6 . . . . . 3 . H41 . . rr_1szy 1 433 1 . . 1 1 3 3 C H5 H . . . 1 1 3 3 C H41 H . . . . . 2.425 2.325 2.525 . . . . . A . 3 C H5 . . A . 3 C H41 . . . 3 . H5 . . . . . 3 . H41 . . rr_1szy 1 434 1 . . 1 1 3 3 C H41 H . . . 1 1 4 4 A H62 H . . . . . 4.593 4.493 4.693 . . . . . A . 3 C H41 . . A . 4 A H62 . . . 3 . H41 . . . . . 4 . H62 . . rr_1szy 1 435 1 . . 1 1 3 3 C H41 H . . . 1 1 4 4 A H61 H . . . . . 3.566 3.466 3.666 . . . . . A . 3 C H41 . . A . 4 A H61 . . . 3 . H41 . . . . . 4 . H61 . . rr_1szy 1 436 1 . . 1 1 19 19 G H1 H . . . 1 1 3 3 C H41 H . . . . . 4.023 3.923 4.123 . . . . . A . 19 G H1 . . A . 3 C H41 . . . 19 . H1 . . . . . 3 . H41 . . rr_1szy 1 437 1 . . 1 1 3 3 C H41 H . . . 1 1 20 20 C H41 H . . . . . 4.817 4.717 4.917 . . . . . A . 3 C H41 . . A . 20 C H41 . . . 3 . H41 . . . . . 20 . H41 . . rr_1szy 1 438 1 . . 1 1 20 20 C H42 H . . . 1 1 3 3 C H41 H . . . . . 3.705 3.605 3.805 . . . . . A . 20 C H42 . . A . 3 C H41 . . . 20 . H42 . . . . . 3 . H41 . . rr_1szy 1 439 1 . . 1 1 3 3 C H5 H . . . 1 1 3 3 C H42 H . . . . . 3.708 3.608 3.808 . . . . . A . 3 C H5 . . A . 3 C H42 . . . 3 . H5 . . . . . 3 . H42 . . rr_1szy 1 440 1 . . 1 1 3 3 C H42 H . . . 1 1 4 4 A H62 H . . . . . 3.650 3.550 3.750 . . . . . A . 3 C H42 . . A . 4 A H62 . . . 3 . H42 . . . . . 4 . H62 . . rr_1szy 1 441 1 . . 1 1 3 3 C H42 H . . . 1 1 4 4 A H61 H . . . . . 3.025 2.925 3.125 . . . . . A . 3 C H42 . . A . 4 A H61 . . . 3 . H42 . . . . . 4 . H61 . . rr_1szy 1 442 1 . . 1 1 19 19 G H22 H . . . 1 1 3 3 C H42 H . . . . . 4.567 4.467 4.667 . . . . . A . 19 G H22 . . A . 3 C H42 . . . 19 . H22 . . . . . 3 . H42 . . rr_1szy 1 443 1 . . 1 1 19 19 G H1 H . . . 1 1 3 3 C H42 H . . . . . 2.479 2.379 2.579 . . . . . A . 19 G H1 . . A . 3 C H42 . . . 19 . H1 . . . . . 3 . H42 . . rr_1szy 1 444 1 . . 1 1 3 3 C H42 H . . . 1 1 20 20 C H41 H . . . . . 3.705 3.605 3.805 . . . . . A . 3 C H42 . . A . 20 C H41 . . . 3 . H42 . . . . . 20 . H41 . . rr_1szy 1 445 1 . . 1 1 20 20 C H42 H . . . 1 1 3 3 C H42 H . . . . . 2.909 2.809 3.009 . . . . . A . 20 C H42 . . A . 3 C H42 . . . 20 . H42 . . . . . 3 . H42 . . rr_1szy 1 446 1 . . 1 1 3 3 C H6 H . . . 1 1 3 3 C H5 H . . . . . 2.457 2.357 2.557 . . . . . A . 3 C H6 . . A . 3 C H5 . . . 3 . H6 . . . . . 3 . H5 . . rr_1szy 1 447 1 . . 1 1 3 3 C H6 H . . . 1 1 4 4 A H8 H . . . . . 4.777 4.677 4.877 . . . . . A . 3 C H6 . . A . 4 A H8 . . . 3 . H6 . . . . . 4 . H8 . . rr_1szy 1 448 1 . . 1 1 3 3 C H5 H . . . 1 1 4 4 A H61 H . . . . . 4.821 4.721 4.921 . . . . . A . 3 C H5 . . A . 4 A H61 . . . 3 . H5 . . . . . 4 . H61 . . rr_1szy 1 449 1 . . 1 1 4 4 A H1' H . . . 1 1 4 4 A H2' H . . . . . 2.805 2.705 2.905 . . . . . A . 4 A H1' . . A . 4 A H2' . . . 4 . H1' . . . . . 4 . H2' . . rr_1szy 1 450 1 . . 1 1 4 4 A H1' H . . . 1 1 4 4 A H3' H . . . . . 3.857 3.757 3.957 . . . . . A . 4 A H1' . . A . 4 A H3' . . . 4 . H1' . . . . . 4 . H3' . . rr_1szy 1 451 1 . . 1 1 4 4 A H1' H . . . 1 1 4 4 A H4' H . . . . . 3.397 3.297 3.497 . . . . . A . 4 A H1' . . A . 4 A H4' . . . 4 . H1' . . . . . 4 . H4' . . rr_1szy 1 452 1 . . 1 1 4 4 A H5' H . . . 1 1 4 4 A H1' H . . . . . 4.577 4.477 4.677 . . . . . A . 4 A H5' . . A . 4 A H1' . . . 4 . H5' . . . . . 4 . H1' . . rr_1szy 1 453 1 . . 1 1 4 4 A H1' H . . . 1 1 4 4 A HO2' H . . . . . 2.564 2.464 2.664 . . . . . A . 4 A H1' . . A . 4 A HO2' . . . 4 . H1' . . . . . 4 . HO2' . . rr_1szy 1 454 1 . . 1 1 4 4 A H8 H . . . 1 1 4 4 A H1' H . . . . . 3.700 3.600 3.800 . . . . . A . 4 A H8 . . A . 4 A H1' . . . 4 . H8 . . . . . 4 . H1' . . rr_1szy 1 455 1 . . 1 1 4 4 A H1' H . . . 1 1 4 4 A H2 H . . . . . 4.791 4.691 4.891 . . . . . A . 4 A H1' . . A . 4 A H2 . . . 4 . H1' . . . . . 4 . H2 . . rr_1szy 1 456 1 . . 1 1 4 4 A H1' H . . . 1 1 5 5 G H5' H . . . . . 4.677 4.577 4.777 . . . . . A . 4 A H1' . . A . 5 G H5' . . . 4 . H1' . . . . . 5 . H5' . . rr_1szy 1 457 1 . . 1 1 4 4 A H1' H . . . 1 1 5 5 G H8 H . . . . . 4.320 4.220 4.420 . . . . . A . 4 A H1' . . A . 5 G H8 . . . 4 . H1' . . . . . 5 . H8 . . rr_1szy 1 458 1 . . 1 1 19 19 G H21 H . . . 1 1 4 4 A H1' H . . . . . 4.494 4.394 4.594 . . . . . A . 19 G H21 . . A . 4 A H1' . . . 19 . H21 . . . . . 4 . H1' . . rr_1szy 1 459 1 . . 1 1 19 19 G H22 H . . . 1 1 4 4 A H1' H . . . . . 4.374 4.274 4.474 . . . . . A . 19 G H22 . . A . 4 A H1' . . . 19 . H22 . . . . . 4 . H1' . . rr_1szy 1 460 1 . . 1 1 4 4 A H3' H . . . 1 1 4 4 A H2' H . . . . . 2.425 2.325 2.525 . . . . . A . 4 A H3' . . A . 4 A H2' . . . 4 . H3' . . . . . 4 . H2' . . rr_1szy 1 461 1 . . 1 1 4 4 A H4' H . . . 1 1 4 4 A H2' H . . . . . 3.813 3.713 3.913 . . . . . A . 4 A H4' . . A . 4 A H2' . . . 4 . H4' . . . . . 4 . H2' . . rr_1szy 1 462 1 . . 1 1 4 4 A H2' H . . . 1 1 4 4 A HO2' H . . . . . 2.946 2.846 3.046 . . . . . A . 4 A H2' . . A . 4 A HO2' . . . 4 . H2' . . . . . 4 . HO2' . . rr_1szy 1 463 1 . . 1 1 4 4 A H8 H . . . 1 1 4 4 A H2' H . . . . . 4.125 4.025 4.225 . . . . . A . 4 A H8 . . A . 4 A H2' . . . 4 . H8 . . . . . 4 . H2' . . rr_1szy 1 464 1 . . 1 1 4 4 A H2' H . . . 1 1 4 4 A H2 H . . . . . 4.663 4.563 4.763 . . . . . A . 4 A H2' . . A . 4 A H2 . . . 4 . H2' . . . . . 4 . H2 . . rr_1szy 1 465 1 . . 1 1 4 4 A H2' H . . . 1 1 5 5 G H1' H . . . . . 4.192 4.092 4.292 . . . . . A . 4 A H2' . . A . 5 G H1' . . . 4 . H2' . . . . . 5 . H1' . . rr_1szy 1 466 1 . . 1 1 4 4 A H2' H . . . 1 1 5 5 G H3' H . . . . . 4.263 4.163 4.363 . . . . . A . 4 A H2' . . A . 5 G H3' . . . 4 . H2' . . . . . 5 . H3' . . rr_1szy 1 467 1 . . 1 1 4 4 A H2' H . . . 1 1 5 5 G H4' H . . . . . 4.442 4.342 4.542 . . . . . A . 4 A H2' . . A . 5 G H4' . . . 4 . H2' . . . . . 5 . H4' . . rr_1szy 1 468 1 . . 1 1 4 4 A H2' H . . . 1 1 5 5 G H5' H . . . . . 2.891 2.791 2.991 . . . . . A . 4 A H2' . . A . 5 G H5' . . . 4 . H2' . . . . . 5 . H5' . . rr_1szy 1 469 1 . . 1 1 4 4 A H2' H . . . 1 1 5 5 G H5'' H . . . . . 4.268 4.168 4.368 . . . . . A . 4 A H2' . . A . 5 G H5'' . . . 4 . H2' . . . . . 5 . H5'' . . rr_1szy 1 470 1 . . 1 1 4 4 A H2' H . . . 1 1 5 5 G H8 H . . . . . 1.674 1.574 1.774 . . . . . A . 4 A H2' . . A . 5 G H8 . . . 4 . H2' . . . . . 5 . H8 . . rr_1szy 1 471 1 . . 1 1 4 4 A H3' H . . . 1 1 4 4 A H4' H . . . . . 3.007 2.907 3.107 . . . . . A . 4 A H3' . . A . 4 A H4' . . . 4 . H3' . . . . . 4 . H4' . . rr_1szy 1 472 1 . . 1 1 4 4 A H5' H . . . 1 1 4 4 A H3' H . . . . . 3.686 3.586 3.786 . . . . . A . 4 A H5' . . A . 4 A H3' . . . 4 . H5' . . . . . 4 . H3' . . rr_1szy 1 473 1 . . 1 1 4 4 A H3' H . . . 1 1 4 4 A H5'' H . . . . . 3.085 2.985 3.185 . . . . . A . 4 A H3' . . A . 4 A H5'' . . . 4 . H3' . . . . . 4 . H5'' . . rr_1szy 1 474 1 . . 1 1 4 4 A H3' H . . . 1 1 4 4 A HO2' H . . . . . 3.596 3.496 3.696 . . . . . A . 4 A H3' . . A . 4 A HO2' . . . 4 . H3' . . . . . 4 . HO2' . . rr_1szy 1 475 1 . . 1 1 4 4 A H8 H . . . 1 1 4 4 A H3' H . . . . . 3.163 3.063 3.263 . . . . . A . 4 A H8 . . A . 4 A H3' . . . 4 . H8 . . . . . 4 . H3' . . rr_1szy 1 476 1 . . 1 1 4 4 A H3' H . . . 1 1 5 5 G H5' H . . . . . 3.959 3.859 4.059 . . . . . A . 4 A H3' . . A . 5 G H5' . . . 4 . H3' . . . . . 5 . H5' . . rr_1szy 1 477 1 . . 1 1 4 4 A H3' H . . . 1 1 5 5 G H5'' H . . . . . 4.908 4.808 5.008 . . . . . A . 4 A H3' . . A . 5 G H5'' . . . 4 . H3' . . . . . 5 . H5'' . . rr_1szy 1 478 1 . . 1 1 4 4 A H3' H . . . 1 1 5 5 G H8 H . . . . . 3.024 2.924 3.124 . . . . . A . 4 A H3' . . A . 5 G H8 . . . 4 . H3' . . . . . 5 . H8 . . rr_1szy 1 479 1 . . 1 1 4 4 A H5' H . . . 1 1 4 4 A H4' H . . . . . 2.534 2.434 2.634 . . . . . A . 4 A H5' . . A . 4 A H4' . . . 4 . H5' . . . . . 4 . H4' . . rr_1szy 1 480 1 . . 1 1 4 4 A H4' H . . . 1 1 4 4 A H5'' H . . . . . 2.370 2.270 2.470 . . . . . A . 4 A H4' . . A . 4 A H5'' . . . 4 . H4' . . . . . 4 . H5'' . . rr_1szy 1 481 1 . . 1 1 4 4 A H4' H . . . 1 1 4 4 A HO2' H . . . . . 2.043 1.943 2.143 . . . . . A . 4 A H4' . . A . 4 A HO2' . . . 4 . H4' . . . . . 4 . HO2' . . rr_1szy 1 482 1 . . 1 1 4 4 A H8 H . . . 1 1 4 4 A H4' H . . . . . 4.363 4.263 4.463 . . . . . A . 4 A H8 . . A . 4 A H4' . . . 4 . H8 . . . . . 4 . H4' . . rr_1szy 1 483 1 . . 1 1 4 4 A H4' H . . . 1 1 5 5 G H5' H . . . . . 4.168 4.068 4.268 . . . . . A . 4 A H4' . . A . 5 G H5' . . . 4 . H4' . . . . . 5 . H5' . . rr_1szy 1 484 1 . . 1 1 4 4 A H5' H . . . 1 1 4 4 A H5'' H . . . . . 1.776 1.676 1.876 . . . . . A . 4 A H5' . . A . 4 A H5'' . . . 4 . H5' . . . . . 4 . H5'' . . rr_1szy 1 485 1 . . 1 1 4 4 A H5' H . . . 1 1 4 4 A HO2' H . . . . . 4.410 4.310 4.510 . . . . . A . 4 A H5' . . A . 4 A HO2' . . . 4 . H5' . . . . . 4 . HO2' . . rr_1szy 1 486 1 . . 1 1 4 4 A H5' H . . . 1 1 4 4 A H8 H . . . . . 3.522 3.422 3.622 . . . . . A . 4 A H5' . . A . 4 A H8 . . . 4 . H5' . . . . . 4 . H8 . . rr_1szy 1 487 1 . . 1 1 4 4 A H5'' H . . . 1 1 4 4 A HO2' H . . . . . 4.309 4.209 4.409 . . . . . A . 4 A H5'' . . A . 4 A HO2' . . . 4 . H5'' . . . . . 4 . HO2' . . rr_1szy 1 488 1 . . 1 1 4 4 A H8 H . . . 1 1 4 4 A H5'' H . . . . . 4.325 4.225 4.425 . . . . . A . 4 A H8 . . A . 4 A H5'' . . . 4 . H8 . . . . . 4 . H5'' . . rr_1szy 1 489 1 . . 1 1 4 4 A HO2' H . . . 1 1 5 5 G H5' H . . . . . 2.942 2.842 3.042 . . . . . A . 4 A HO2' . . A . 5 G H5' . . . 4 . HO2' . . . . . 5 . H5' . . rr_1szy 1 490 1 . . 1 1 4 4 A HO2' H . . . 1 1 5 5 G H5'' H . . . . . 4.602 4.502 4.702 . . . . . A . 4 A HO2' . . A . 5 G H5'' . . . 4 . HO2' . . . . . 5 . H5'' . . rr_1szy 1 491 1 . . 1 1 4 4 A HO2' H . . . 1 1 5 5 G H8 H . . . . . 4.547 4.447 4.647 . . . . . A . 4 A HO2' . . A . 5 G H8 . . . 4 . HO2' . . . . . 5 . H8 . . rr_1szy 1 492 1 . . 1 1 4 4 A H62 H . . . 1 1 4 4 A H61 H . . . . . 1.784 1.684 1.884 . . . . . A . 4 A H62 . . A . 4 A H61 . . . 4 . H62 . . . . . 4 . H61 . . rr_1szy 1 493 1 . . 1 1 4 4 A H62 H . . . 1 1 4 4 A H2 H . . . . . 4.506 4.406 4.606 . . . . . A . 4 A H62 . . A . 4 A H2 . . . 4 . H62 . . . . . 4 . H2 . . rr_1szy 1 494 1 . . 1 1 4 4 A H62 H . . . 1 1 5 5 G H1 H . . . . . 4.505 4.405 4.605 . . . . . A . 4 A H62 . . A . 5 G H1 . . . 4 . H62 . . . . . 5 . H1 . . rr_1szy 1 495 1 . . 1 1 4 4 A H62 H . . . 1 1 17 17 C H41 H . . . . . 4.676 4.576 4.776 . . . . . A . 4 A H62 . . A . 17 C H41 . . . 4 . H62 . . . . . 17 . H41 . . rr_1szy 1 496 1 . . 1 1 4 4 A H62 H . . . 1 1 17 17 C H42 H . . . . . 3.827 3.727 3.927 . . . . . A . 4 A H62 . . A . 17 C H42 . . . 4 . H62 . . . . . 17 . H42 . . rr_1szy 1 497 1 . . 1 1 4 4 A H62 H . . . 1 1 18 18 U H3 H . . . . . 2.396 2.296 2.496 . . . . . A . 4 A H62 . . A . 18 U H3 . . . 4 . H62 . . . . . 18 . H3 . . rr_1szy 1 498 1 . . 1 1 4 4 A H62 H . . . 1 1 18 18 U H5 H . . . . . 4.489 4.389 4.589 . . . . . A . 4 A H62 . . A . 18 U H5 . . . 4 . H62 . . . . . 18 . H5 . . rr_1szy 1 499 1 . . 1 1 19 19 G H1 H . . . 1 1 4 4 A H62 H . . . . . 4.418 4.318 4.518 . . . . . A . 19 G H1 . . A . 4 A H62 . . . 19 . H1 . . . . . 4 . H62 . . rr_1szy 1 500 1 . . 1 1 4 4 A H8 H . . . 1 1 4 4 A H61 H . . . . . 4.854 4.754 4.954 . . . . . A . 4 A H8 . . A . 4 A H61 . . . 4 . H8 . . . . . 4 . H61 . . rr_1szy 1 501 1 . . 1 1 4 4 A H61 H . . . 1 1 17 17 C H42 H . . . . . 4.579 4.479 4.679 . . . . . A . 4 A H61 . . A . 17 C H42 . . . 4 . H61 . . . . . 17 . H42 . . rr_1szy 1 502 1 . . 1 1 4 4 A H61 H . . . 1 1 18 18 U H3 H . . . . . 3.959 3.859 4.059 . . . . . A . 4 A H61 . . A . 18 U H3 . . . 4 . H61 . . . . . 18 . H3 . . rr_1szy 1 503 1 . . 1 1 19 19 G H1 H . . . 1 1 4 4 A H61 H . . . . . 3.962 3.862 4.062 . . . . . A . 19 G H1 . . A . 4 A H61 . . . 19 . H1 . . . . . 4 . H61 . . rr_1szy 1 504 1 . . 1 1 4 4 A H8 H . . . 1 1 5 5 G H8 H . . . . . 4.786 4.686 4.886 . . . . . A . 4 A H8 . . A . 5 G H8 . . . 4 . H8 . . . . . 5 . H8 . . rr_1szy 1 505 1 . . 1 1 19 19 G H22 H . . . 1 1 4 4 A H8 H . . . . . 4.923 4.823 5.023 . . . . . A . 19 G H22 . . A . 4 A H8 . . . 19 . H22 . . . . . 4 . H8 . . rr_1szy 1 506 1 . . 1 1 4 4 A H2 H . . . 1 1 5 5 G H1' H . . . . . 3.831 3.731 3.931 . . . . . A . 4 A H2 . . A . 5 G H1' . . . 4 . H2 . . . . . 5 . H1' . . rr_1szy 1 507 1 . . 1 1 4 4 A H2 H . . . 1 1 5 5 G H8 H . . . . . 4.645 4.545 4.745 . . . . . A . 4 A H2 . . A . 5 G H8 . . . 4 . H2 . . . . . 5 . H8 . . rr_1szy 1 508 1 . . 1 1 4 4 A H2 H . . . 1 1 18 18 U H3 H . . . . . 2.931 2.831 3.031 . . . . . A . 4 A H2 . . A . 18 U H3 . . . 4 . H2 . . . . . 18 . H3 . . rr_1szy 1 509 1 . . 1 1 4 4 A H2 H . . . 1 1 19 19 G H1' H . . . . . 4.658 4.558 4.758 . . . . . A . 4 A H2 . . A . 19 G H1' . . . 4 . H2 . . . . . 19 . H1' . . rr_1szy 1 510 1 . . 1 1 5 5 G H1' H . . . 1 1 5 5 G H2' H . . . . . 2.805 2.705 2.905 . . . . . A . 5 G H1' . . A . 5 G H2' . . . 5 . H1' . . . . . 5 . H2' . . rr_1szy 1 511 1 . . 1 1 5 5 G H1' H . . . 1 1 5 5 G H3' H . . . . . 3.857 3.757 3.957 . . . . . A . 5 G H1' . . A . 5 G H3' . . . 5 . H1' . . . . . 5 . H3' . . rr_1szy 1 512 1 . . 1 1 5 5 G H1' H . . . 1 1 5 5 G H4' H . . . . . 3.398 3.298 3.498 . . . . . A . 5 G H1' . . A . 5 G H4' . . . 5 . H1' . . . . . 5 . H4' . . rr_1szy 1 513 1 . . 1 1 5 5 G H5' H . . . 1 1 5 5 G H1' H . . . . . 4.577 4.477 4.677 . . . . . A . 5 G H5' . . A . 5 G H1' . . . 5 . H5' . . . . . 5 . H1' . . rr_1szy 1 514 1 . . 1 1 5 5 G H1' H . . . 1 1 5 5 G HO2' H . . . . . 2.564 2.464 2.664 . . . . . A . 5 G H1' . . A . 5 G HO2' . . . 5 . H1' . . . . . 5 . HO2' . . rr_1szy 1 515 1 . . 1 1 5 5 G H1' H . . . 1 1 5 5 G H21 H . . . . . 4.774 4.674 4.874 . . . . . A . 5 G H1' . . A . 5 G H21 . . . 5 . H1' . . . . . 5 . H21 . . rr_1szy 1 516 1 . . 1 1 5 5 G H8 H . . . 1 1 5 5 G H1' H . . . . . 3.727 3.627 3.827 . . . . . A . 5 G H8 . . A . 5 G H1' . . . 5 . H8 . . . . . 5 . H1' . . rr_1szy 1 517 1 . . 1 1 5 5 G H1' H . . . 1 1 6 6 G H5' H . . . . . 4.676 4.576 4.776 . . . . . A . 5 G H1' . . A . 6 G H5' . . . 5 . H1' . . . . . 6 . H5' . . rr_1szy 1 518 1 . . 1 1 5 5 G H1' H . . . 1 1 6 6 G H8 H . . . . . 4.319 4.219 4.419 . . . . . A . 5 G H1' . . A . 6 G H8 . . . 5 . H1' . . . . . 6 . H8 . . rr_1szy 1 519 1 . . 1 1 5 5 G H3' H . . . 1 1 5 5 G H2' H . . . . . 2.425 2.325 2.525 . . . . . A . 5 G H3' . . A . 5 G H2' . . . 5 . H3' . . . . . 5 . H2' . . rr_1szy 1 520 1 . . 1 1 5 5 G H4' H . . . 1 1 5 5 G H2' H . . . . . 3.812 3.712 3.912 . . . . . A . 5 G H4' . . A . 5 G H2' . . . 5 . H4' . . . . . 5 . H2' . . rr_1szy 1 521 1 . . 1 1 5 5 G H2' H . . . 1 1 5 5 G HO2' H . . . . . 2.946 2.846 3.046 . . . . . A . 5 G H2' . . A . 5 G HO2' . . . 5 . H2' . . . . . 5 . HO2' . . rr_1szy 1 522 1 . . 1 1 5 5 G H2' H . . . 1 1 5 5 G H21 H . . . . . 4.701 4.601 4.801 . . . . . A . 5 G H2' . . A . 5 G H21 . . . 5 . H2' . . . . . 5 . H21 . . rr_1szy 1 523 1 . . 1 1 5 5 G H8 H . . . 1 1 5 5 G H2' H . . . . . 4.149 4.049 4.249 . . . . . A . 5 G H8 . . A . 5 G H2' . . . 5 . H8 . . . . . 5 . H2' . . rr_1szy 1 524 1 . . 1 1 5 5 G H2' H . . . 1 1 6 6 G H1' H . . . . . 4.192 4.092 4.292 . . . . . A . 5 G H2' . . A . 6 G H1' . . . 5 . H2' . . . . . 6 . H1' . . rr_1szy 1 525 1 . . 1 1 5 5 G H2' H . . . 1 1 6 6 G H3' H . . . . . 4.263 4.163 4.363 . . . . . A . 5 G H2' . . A . 6 G H3' . . . 5 . H2' . . . . . 6 . H3' . . rr_1szy 1 526 1 . . 1 1 5 5 G H2' H . . . 1 1 6 6 G H4' H . . . . . 4.441 4.341 4.541 . . . . . A . 5 G H2' . . A . 6 G H4' . . . 5 . H2' . . . . . 6 . H4' . . rr_1szy 1 527 1 . . 1 1 5 5 G H2' H . . . 1 1 6 6 G H5' H . . . . . 2.890 2.790 2.990 . . . . . A . 5 G H2' . . A . 6 G H5' . . . 5 . H2' . . . . . 6 . H5' . . rr_1szy 1 528 1 . . 1 1 5 5 G H2' H . . . 1 1 6 6 G H5'' H . . . . . 4.268 4.168 4.368 . . . . . A . 5 G H2' . . A . 6 G H5'' . . . 5 . H2' . . . . . 6 . H5'' . . rr_1szy 1 529 1 . . 1 1 5 5 G H2' H . . . 1 1 6 6 G H8 H . . . . . 1.674 1.574 1.774 . . . . . A . 5 G H2' . . A . 6 G H8 . . . 5 . H2' . . . . . 6 . H8 . . rr_1szy 1 530 1 . . 1 1 5 5 G H3' H . . . 1 1 5 5 G H4' H . . . . . 3.007 2.907 3.107 . . . . . A . 5 G H3' . . A . 5 G H4' . . . 5 . H3' . . . . . 5 . H4' . . rr_1szy 1 531 1 . . 1 1 5 5 G H5' H . . . 1 1 5 5 G H3' H . . . . . 3.686 3.586 3.786 . . . . . A . 5 G H5' . . A . 5 G H3' . . . 5 . H5' . . . . . 5 . H3' . . rr_1szy 1 532 1 . . 1 1 5 5 G H3' H . . . 1 1 5 5 G H5'' H . . . . . 3.085 2.985 3.185 . . . . . A . 5 G H3' . . A . 5 G H5'' . . . 5 . H3' . . . . . 5 . H5'' . . rr_1szy 1 533 1 . . 1 1 5 5 G H3' H . . . 1 1 5 5 G HO2' H . . . . . 3.596 3.496 3.696 . . . . . A . 5 G H3' . . A . 5 G HO2' . . . 5 . H3' . . . . . 5 . HO2' . . rr_1szy 1 534 1 . . 1 1 5 5 G H8 H . . . 1 1 5 5 G H3' H . . . . . 3.196 3.096 3.296 . . . . . A . 5 G H8 . . A . 5 G H3' . . . 5 . H8 . . . . . 5 . H3' . . rr_1szy 1 535 1 . . 1 1 5 5 G H3' H . . . 1 1 6 6 G H5' H . . . . . 3.958 3.858 4.058 . . . . . A . 5 G H3' . . A . 6 G H5' . . . 5 . H3' . . . . . 6 . H5' . . rr_1szy 1 536 1 . . 1 1 5 5 G H3' H . . . 1 1 6 6 G H5'' H . . . . . 4.908 4.808 5.008 . . . . . A . 5 G H3' . . A . 6 G H5'' . . . 5 . H3' . . . . . 6 . H5'' . . rr_1szy 1 537 1 . . 1 1 5 5 G H3' H . . . 1 1 6 6 G H8 H . . . . . 3.024 2.924 3.124 . . . . . A . 5 G H3' . . A . 6 G H8 . . . 5 . H3' . . . . . 6 . H8 . . rr_1szy 1 538 1 . . 1 1 5 5 G H5' H . . . 1 1 5 5 G H4' H . . . . . 2.533 2.433 2.633 . . . . . A . 5 G H5' . . A . 5 G H4' . . . 5 . H5' . . . . . 5 . H4' . . rr_1szy 1 539 1 . . 1 1 5 5 G H4' H . . . 1 1 5 5 G H5'' H . . . . . 2.370 2.270 2.470 . . . . . A . 5 G H4' . . A . 5 G H5'' . . . 5 . H4' . . . . . 5 . H5'' . . rr_1szy 1 540 1 . . 1 1 5 5 G H4' H . . . 1 1 5 5 G HO2' H . . . . . 2.043 1.943 2.143 . . . . . A . 5 G H4' . . A . 5 G HO2' . . . 5 . H4' . . . . . 5 . HO2' . . rr_1szy 1 541 1 . . 1 1 5 5 G H8 H . . . 1 1 5 5 G H4' H . . . . . 4.409 4.309 4.509 . . . . . A . 5 G H8 . . A . 5 G H4' . . . 5 . H8 . . . . . 5 . H4' . . rr_1szy 1 542 1 . . 1 1 5 5 G H4' H . . . 1 1 6 6 G H5' H . . . . . 4.167 4.067 4.267 . . . . . A . 5 G H4' . . A . 6 G H5' . . . 5 . H4' . . . . . 6 . H5' . . rr_1szy 1 543 1 . . 1 1 5 5 G H5' H . . . 1 1 5 5 G H5'' H . . . . . 1.775 1.675 1.875 . . . . . A . 5 G H5' . . A . 5 G H5'' . . . 5 . H5' . . . . . 5 . H5'' . . rr_1szy 1 544 1 . . 1 1 5 5 G H5' H . . . 1 1 5 5 G HO2' H . . . . . 4.409 4.309 4.509 . . . . . A . 5 G H5' . . A . 5 G HO2' . . . 5 . H5' . . . . . 5 . HO2' . . rr_1szy 1 545 1 . . 1 1 5 5 G H5' H . . . 1 1 5 5 G H8 H . . . . . 3.565 3.465 3.665 . . . . . A . 5 G H5' . . A . 5 G H8 . . . 5 . H5' . . . . . 5 . H8 . . rr_1szy 1 546 1 . . 1 1 5 5 G H5'' H . . . 1 1 5 5 G HO2' H . . . . . 4.309 4.209 4.409 . . . . . A . 5 G H5'' . . A . 5 G HO2' . . . 5 . H5'' . . . . . 5 . HO2' . . rr_1szy 1 547 1 . . 1 1 5 5 G H8 H . . . 1 1 5 5 G H5'' H . . . . . 4.368 4.268 4.468 . . . . . A . 5 G H8 . . A . 5 G H5'' . . . 5 . H8 . . . . . 5 . H5'' . . rr_1szy 1 548 1 . . 1 1 5 5 G HO2' H . . . 1 1 6 6 G H5' H . . . . . 2.941 2.841 3.041 . . . . . A . 5 G HO2' . . A . 6 G H5' . . . 5 . HO2' . . . . . 6 . H5' . . rr_1szy 1 549 1 . . 1 1 5 5 G HO2' H . . . 1 1 6 6 G H5'' H . . . . . 4.602 4.502 4.702 . . . . . A . 5 G HO2' . . A . 6 G H5'' . . . 5 . HO2' . . . . . 6 . H5'' . . rr_1szy 1 550 1 . . 1 1 5 5 G HO2' H . . . 1 1 6 6 G H8 H . . . . . 4.547 4.447 4.647 . . . . . A . 5 G HO2' . . A . 6 G H8 . . . 5 . HO2' . . . . . 6 . H8 . . rr_1szy 1 551 1 . . 1 1 5 5 G H21 H . . . 1 1 5 5 G H22 H . . . . . 1.784 1.684 1.884 . . . . . A . 5 G H21 . . A . 5 G H22 . . . 5 . H21 . . . . . 5 . H22 . . rr_1szy 1 552 1 . . 1 1 5 5 G H1 H . . . 1 1 5 5 G H21 H . . . . . 3.479 3.379 3.579 . . . . . A . 5 G H1 . . A . 5 G H21 . . . 5 . H1 . . . . . 5 . H21 . . rr_1szy 1 553 1 . . 1 1 5 5 G H21 H . . . 1 1 6 6 G H1' H . . . . . 3.255 3.155 3.355 . . . . . A . 5 G H21 . . A . 6 G H1' . . . 5 . H21 . . . . . 6 . H1' . . rr_1szy 1 554 1 . . 1 1 5 5 G H21 H . . . 1 1 6 6 G H8 H . . . . . 4.875 4.775 4.975 . . . . . A . 5 G H21 . . A . 6 G H8 . . . 5 . H21 . . . . . 6 . H8 . . rr_1szy 1 555 1 . . 1 1 5 5 G H21 H . . . 1 1 18 18 U H1' H . . . . . 4.494 4.394 4.594 . . . . . A . 5 G H21 . . A . 18 U H1' . . . 5 . H21 . . . . . 18 . H1' . . rr_1szy 1 556 1 . . 1 1 5 5 G H1 H . . . 1 1 5 5 G H22 H . . . . . 2.168 2.068 2.268 . . . . . A . 5 G H1 . . A . 5 G H22 . . . 5 . H1 . . . . . 5 . H22 . . rr_1szy 1 557 1 . . 1 1 6 6 G H1' H . . . 1 1 5 5 G H22 H . . . . . 4.205 4.105 4.305 . . . . . A . 6 G H1' . . A . 5 G H22 . . . 6 . H1' . . . . . 5 . H22 . . rr_1szy 1 558 1 . . 1 1 5 5 G H22 H . . . 1 1 6 6 G H21 H . . . . . 4.772 4.672 4.872 . . . . . A . 5 G H22 . . A . 6 G H21 . . . 5 . H22 . . . . . 6 . H21 . . rr_1szy 1 559 1 . . 1 1 5 5 G H22 H . . . 1 1 6 6 G H1 H . . . . . 4.789 4.689 4.889 . . . . . A . 5 G H22 . . A . 6 G H1 . . . 5 . H22 . . . . . 6 . H1 . . rr_1szy 1 560 1 . . 1 1 5 5 G H22 H . . . 1 1 17 17 C H1' H . . . . . 4.316 4.216 4.416 . . . . . A . 5 G H22 . . A . 17 C H1' . . . 5 . H22 . . . . . 17 . H1' . . rr_1szy 1 561 1 . . 1 1 5 5 G H22 H . . . 1 1 17 17 C H2' H . . . . . 4.666 4.566 4.766 . . . . . A . 5 G H22 . . A . 17 C H2' . . . 5 . H22 . . . . . 17 . H2' . . rr_1szy 1 562 1 . . 1 1 17 17 C H42 H . . . 1 1 5 5 G H22 H . . . . . 4.567 4.467 4.667 . . . . . A . 17 C H42 . . A . 5 G H22 . . . 17 . H42 . . . . . 5 . H22 . . rr_1szy 1 563 1 . . 1 1 5 5 G H22 H . . . 1 1 18 18 U H1' H . . . . . 4.374 4.274 4.474 . . . . . A . 5 G H22 . . A . 18 U H1' . . . 5 . H22 . . . . . 18 . H1' . . rr_1szy 1 564 1 . . 1 1 18 18 U H3 H . . . 1 1 5 5 G H22 H . . . . . 4.860 4.760 4.960 . . . . . A . 18 U H3 . . A . 5 G H22 . . . 18 . H3 . . . . . 5 . H22 . . rr_1szy 1 565 1 . . 1 1 5 5 G H22 H . . . 1 1 18 18 U H6 H . . . . . 4.956 4.856 5.056 . . . . . A . 5 G H22 . . A . 18 U H6 . . . 5 . H22 . . . . . 18 . H6 . . rr_1szy 1 566 1 . . 1 1 5 5 G H8 H . . . 1 1 6 6 G H8 H . . . . . 4.797 4.697 4.897 . . . . . A . 5 G H8 . . A . 6 G H8 . . . 5 . H8 . . . . . 6 . H8 . . rr_1szy 1 567 1 . . 1 1 5 5 G H1 H . . . 1 1 6 6 G H1 H . . . . . 4.082 3.982 4.182 . . . . . A . 5 G H1 . . A . 6 G H1 . . . 5 . H1 . . . . . 6 . H1 . . rr_1szy 1 568 1 . . 1 1 5 5 G H1 H . . . 1 1 16 16 C H42 H . . . . . 4.747 4.647 4.847 . . . . . A . 5 G H1 . . A . 16 C H42 . . . 5 . H1 . . . . . 16 . H42 . . rr_1szy 1 569 1 . . 1 1 5 5 G H1 H . . . 1 1 17 17 C H41 H . . . . . 4.023 3.923 4.123 . . . . . A . 5 G H1 . . A . 17 C H41 . . . 5 . H1 . . . . . 17 . H41 . . rr_1szy 1 570 1 . . 1 1 5 5 G H1 H . . . 1 1 17 17 C H42 H . . . . . 2.479 2.379 2.579 . . . . . A . 5 G H1 . . A . 17 C H42 . . . 5 . H1 . . . . . 17 . H42 . . rr_1szy 1 571 1 . . 1 1 5 5 G H1 H . . . 1 1 18 18 U H3 H . . . . . 3.839 3.739 3.939 . . . . . A . 5 G H1 . . A . 18 U H3 . . . 5 . H1 . . . . . 18 . H3 . . rr_1szy 1 572 1 . . 1 1 5 5 G H1 H . . . 1 1 18 18 U H5 H . . . . . 4.437 4.337 4.537 . . . . . A . 5 G H1 . . A . 18 U H5 . . . 5 . H1 . . . . . 18 . H5 . . rr_1szy 1 573 1 . . 1 1 6 6 G H1' H . . . 1 1 6 6 G H2' H . . . . . 2.805 2.705 2.905 . . . . . A . 6 G H1' . . A . 6 G H2' . . . 6 . H1' . . . . . 6 . H2' . . rr_1szy 1 574 1 . . 1 1 6 6 G H1' H . . . 1 1 6 6 G H3' H . . . . . 3.857 3.757 3.957 . . . . . A . 6 G H1' . . A . 6 G H3' . . . 6 . H1' . . . . . 6 . H3' . . rr_1szy 1 575 1 . . 1 1 6 6 G H1' H . . . 1 1 6 6 G H4' H . . . . . 3.398 3.298 3.498 . . . . . A . 6 G H1' . . A . 6 G H4' . . . 6 . H1' . . . . . 6 . H4' . . rr_1szy 1 576 1 . . 1 1 6 6 G H5' H . . . 1 1 6 6 G H1' H . . . . . 4.577 4.477 4.677 . . . . . A . 6 G H5' . . A . 6 G H1' . . . 6 . H5' . . . . . 6 . H1' . . rr_1szy 1 577 1 . . 1 1 6 6 G H1' H . . . 1 1 6 6 G HO2' H . . . . . 2.565 2.465 2.665 . . . . . A . 6 G H1' . . A . 6 G HO2' . . . 6 . H1' . . . . . 6 . HO2' . . rr_1szy 1 578 1 . . 1 1 6 6 G H1' H . . . 1 1 6 6 G H21 H . . . . . 4.774 4.674 4.874 . . . . . A . 6 G H1' . . A . 6 G H21 . . . 6 . H1' . . . . . 6 . H21 . . rr_1szy 1 579 1 . . 1 1 6 6 G H8 H . . . 1 1 6 6 G H1' H . . . . . 3.727 3.627 3.827 . . . . . A . 6 G H8 . . A . 6 G H1' . . . 6 . H8 . . . . . 6 . H1' . . rr_1szy 1 580 1 . . 1 1 7 7 G H5' H . . . 1 1 6 6 G H1' H . . . . . 4.677 4.577 4.777 . . . . . A . 7 G H5' . . A . 6 G H1' . . . 7 . H5' . . . . . 6 . H1' . . rr_1szy 1 581 1 . . 1 1 7 7 G H8 H . . . 1 1 6 6 G H1' H . . . . . 4.319 4.219 4.419 . . . . . A . 7 G H8 . . A . 6 G H1' . . . 7 . H8 . . . . . 6 . H1' . . rr_1szy 1 582 1 . . 1 1 6 6 G H3' H . . . 1 1 6 6 G H2' H . . . . . 2.425 2.325 2.525 . . . . . A . 6 G H3' . . A . 6 G H2' . . . 6 . H3' . . . . . 6 . H2' . . rr_1szy 1 583 1 . . 1 1 6 6 G H4' H . . . 1 1 6 6 G H2' H . . . . . 3.813 3.713 3.913 . . . . . A . 6 G H4' . . A . 6 G H2' . . . 6 . H4' . . . . . 6 . H2' . . rr_1szy 1 584 1 . . 1 1 6 6 G H2' H . . . 1 1 6 6 G HO2' H . . . . . 2.947 2.847 3.047 . . . . . A . 6 G H2' . . A . 6 G HO2' . . . 6 . H2' . . . . . 6 . HO2' . . rr_1szy 1 585 1 . . 1 1 6 6 G H21 H . . . 1 1 6 6 G H2' H . . . . . 4.701 4.601 4.801 . . . . . A . 6 G H21 . . A . 6 G H2' . . . 6 . H21 . . . . . 6 . H2' . . rr_1szy 1 586 1 . . 1 1 6 6 G H8 H . . . 1 1 6 6 G H2' H . . . . . 4.149 4.049 4.249 . . . . . A . 6 G H8 . . A . 6 G H2' . . . 6 . H8 . . . . . 6 . H2' . . rr_1szy 1 587 1 . . 1 1 7 7 G H1' H . . . 1 1 6 6 G H2' H . . . . . 4.192 4.092 4.292 . . . . . A . 7 G H1' . . A . 6 G H2' . . . 7 . H1' . . . . . 6 . H2' . . rr_1szy 1 588 1 . . 1 1 7 7 G H3' H . . . 1 1 6 6 G H2' H . . . . . 4.263 4.163 4.363 . . . . . A . 7 G H3' . . A . 6 G H2' . . . 7 . H3' . . . . . 6 . H2' . . rr_1szy 1 589 1 . . 1 1 6 6 G H2' H . . . 1 1 7 7 G H4' H . . . . . 4.442 4.342 4.542 . . . . . A . 6 G H2' . . A . 7 G H4' . . . 6 . H2' . . . . . 7 . H4' . . rr_1szy 1 590 1 . . 1 1 7 7 G H5' H . . . 1 1 6 6 G H2' H . . . . . 2.891 2.791 2.991 . . . . . A . 7 G H5' . . A . 6 G H2' . . . 7 . H5' . . . . . 6 . H2' . . rr_1szy 1 591 1 . . 1 1 6 6 G H2' H . . . 1 1 7 7 G H5'' H . . . . . 4.268 4.168 4.368 . . . . . A . 6 G H2' . . A . 7 G H5'' . . . 6 . H2' . . . . . 7 . H5'' . . rr_1szy 1 592 1 . . 1 1 7 7 G H8 H . . . 1 1 6 6 G H2' H . . . . . 1.673 1.573 1.773 . . . . . A . 7 G H8 . . A . 6 G H2' . . . 7 . H8 . . . . . 6 . H2' . . rr_1szy 1 593 1 . . 1 1 6 6 G H3' H . . . 1 1 6 6 G H4' H . . . . . 3.008 2.908 3.108 . . . . . A . 6 G H3' . . A . 6 G H4' . . . 6 . H3' . . . . . 6 . H4' . . rr_1szy 1 594 1 . . 1 1 6 6 G H5' H . . . 1 1 6 6 G H3' H . . . . . 3.687 3.587 3.787 . . . . . A . 6 G H5' . . A . 6 G H3' . . . 6 . H5' . . . . . 6 . H3' . . rr_1szy 1 595 1 . . 1 1 6 6 G H3' H . . . 1 1 6 6 G H5'' H . . . . . 3.086 2.986 3.186 . . . . . A . 6 G H3' . . A . 6 G H5'' . . . 6 . H3' . . . . . 6 . H5'' . . rr_1szy 1 596 1 . . 1 1 6 6 G H3' H . . . 1 1 6 6 G HO2' H . . . . . 3.597 3.497 3.697 . . . . . A . 6 G H3' . . A . 6 G HO2' . . . 6 . H3' . . . . . 6 . HO2' . . rr_1szy 1 597 1 . . 1 1 6 6 G H8 H . . . 1 1 6 6 G H3' H . . . . . 3.196 3.096 3.296 . . . . . A . 6 G H8 . . A . 6 G H3' . . . 6 . H8 . . . . . 6 . H3' . . rr_1szy 1 598 1 . . 1 1 7 7 G H5' H . . . 1 1 6 6 G H3' H . . . . . 3.959 3.859 4.059 . . . . . A . 7 G H5' . . A . 6 G H3' . . . 7 . H5' . . . . . 6 . H3' . . rr_1szy 1 599 1 . . 1 1 6 6 G H3' H . . . 1 1 7 7 G H5'' H . . . . . 4.908 4.808 5.008 . . . . . A . 6 G H3' . . A . 7 G H5'' . . . 6 . H3' . . . . . 7 . H5'' . . rr_1szy 1 600 1 . . 1 1 7 7 G H8 H . . . 1 1 6 6 G H3' H . . . . . 3.023 2.923 3.123 . . . . . A . 7 G H8 . . A . 6 G H3' . . . 7 . H8 . . . . . 6 . H3' . . rr_1szy 1 601 1 . . 1 1 6 6 G H5' H . . . 1 1 6 6 G H4' H . . . . . 2.534 2.434 2.634 . . . . . A . 6 G H5' . . A . 6 G H4' . . . 6 . H5' . . . . . 6 . H4' . . rr_1szy 1 602 1 . . 1 1 6 6 G H4' H . . . 1 1 6 6 G H5'' H . . . . . 2.370 2.270 2.470 . . . . . A . 6 G H4' . . A . 6 G H5'' . . . 6 . H4' . . . . . 6 . H5'' . . rr_1szy 1 603 1 . . 1 1 6 6 G H4' H . . . 1 1 6 6 G HO2' H . . . . . 2.044 1.944 2.144 . . . . . A . 6 G H4' . . A . 6 G HO2' . . . 6 . H4' . . . . . 6 . HO2' . . rr_1szy 1 604 1 . . 1 1 6 6 G H8 H . . . 1 1 6 6 G H4' H . . . . . 4.409 4.309 4.509 . . . . . A . 6 G H8 . . A . 6 G H4' . . . 6 . H8 . . . . . 6 . H4' . . rr_1szy 1 605 1 . . 1 1 7 7 G H5' H . . . 1 1 6 6 G H4' H . . . . . 4.167 4.067 4.267 . . . . . A . 7 G H5' . . A . 6 G H4' . . . 7 . H5' . . . . . 6 . H4' . . rr_1szy 1 606 1 . . 1 1 6 6 G H5' H . . . 1 1 6 6 G H5'' H . . . . . 1.776 1.676 1.876 . . . . . A . 6 G H5' . . A . 6 G H5'' . . . 6 . H5' . . . . . 6 . H5'' . . rr_1szy 1 607 1 . . 1 1 6 6 G H5' H . . . 1 1 6 6 G HO2' H . . . . . 4.410 4.310 4.510 . . . . . A . 6 G H5' . . A . 6 G HO2' . . . 6 . H5' . . . . . 6 . HO2' . . rr_1szy 1 608 1 . . 1 1 6 6 G H5' H . . . 1 1 6 6 G H8 H . . . . . 3.564 3.464 3.664 . . . . . A . 6 G H5' . . A . 6 G H8 . . . 6 . H5' . . . . . 6 . H8 . . rr_1szy 1 609 1 . . 1 1 6 6 G H5'' H . . . 1 1 6 6 G HO2' H . . . . . 4.310 4.210 4.410 . . . . . A . 6 G H5'' . . A . 6 G HO2' . . . 6 . H5'' . . . . . 6 . HO2' . . rr_1szy 1 610 1 . . 1 1 6 6 G H8 H . . . 1 1 6 6 G H5'' H . . . . . 4.368 4.268 4.468 . . . . . A . 6 G H8 . . A . 6 G H5'' . . . 6 . H8 . . . . . 6 . H5'' . . rr_1szy 1 611 1 . . 1 1 7 7 G H5' H . . . 1 1 6 6 G HO2' H . . . . . 2.941 2.841 3.041 . . . . . A . 7 G H5' . . A . 6 G HO2' . . . 7 . H5' . . . . . 6 . HO2' . . rr_1szy 1 612 1 . . 1 1 6 6 G HO2' H . . . 1 1 7 7 G H5'' H . . . . . 4.602 4.502 4.702 . . . . . A . 6 G HO2' . . A . 7 G H5'' . . . 6 . HO2' . . . . . 7 . H5'' . . rr_1szy 1 613 1 . . 1 1 7 7 G H8 H . . . 1 1 6 6 G HO2' H . . . . . 4.547 4.447 4.647 . . . . . A . 7 G H8 . . A . 6 G HO2' . . . 7 . H8 . . . . . 6 . HO2' . . rr_1szy 1 614 1 . . 1 1 6 6 G H21 H . . . 1 1 6 6 G H22 H . . . . . 1.784 1.684 1.884 . . . . . A . 6 G H21 . . A . 6 G H22 . . . 6 . H21 . . . . . 6 . H22 . . rr_1szy 1 615 1 . . 1 1 6 6 G H21 H . . . 1 1 6 6 G H1 H . . . . . 3.479 3.379 3.579 . . . . . A . 6 G H21 . . A . 6 G H1 . . . 6 . H21 . . . . . 6 . H1 . . rr_1szy 1 616 1 . . 1 1 7 7 G H1' H . . . 1 1 6 6 G H21 H . . . . . 3.255 3.155 3.355 . . . . . A . 7 G H1' . . A . 6 G H21 . . . 7 . H1' . . . . . 6 . H21 . . rr_1szy 1 617 1 . . 1 1 7 7 G H8 H . . . 1 1 6 6 G H21 H . . . . . 4.875 4.775 4.975 . . . . . A . 7 G H8 . . A . 6 G H21 . . . 7 . H8 . . . . . 6 . H21 . . rr_1szy 1 618 1 . . 1 1 6 6 G H21 H . . . 1 1 17 17 C H1' H . . . . . 4.494 4.394 4.594 . . . . . A . 6 G H21 . . A . 17 C H1' . . . 6 . H21 . . . . . 17 . H1' . . rr_1szy 1 619 1 . . 1 1 6 6 G H1 H . . . 1 1 6 6 G H22 H . . . . . 2.169 2.069 2.269 . . . . . A . 6 G H1 . . A . 6 G H22 . . . 6 . H1 . . . . . 6 . H22 . . rr_1szy 1 620 1 . . 1 1 7 7 G H1' H . . . 1 1 6 6 G H22 H . . . . . 4.205 4.105 4.305 . . . . . A . 7 G H1' . . A . 6 G H22 . . . 7 . H1' . . . . . 6 . H22 . . rr_1szy 1 621 1 . . 1 1 6 6 G H22 H . . . 1 1 7 7 G H21 H . . . . . 4.772 4.672 4.872 . . . . . A . 6 G H22 . . A . 7 G H21 . . . 6 . H22 . . . . . 7 . H21 . . rr_1szy 1 622 1 . . 1 1 6 6 G H22 H . . . 1 1 7 7 G H1 H . . . . . 4.790 4.690 4.890 . . . . . A . 6 G H22 . . A . 7 G H1 . . . 6 . H22 . . . . . 7 . H1 . . rr_1szy 1 623 1 . . 1 1 6 6 G H22 H . . . 1 1 16 16 C H1' H . . . . . 4.316 4.216 4.416 . . . . . A . 6 G H22 . . A . 16 C H1' . . . 6 . H22 . . . . . 16 . H1' . . rr_1szy 1 624 1 . . 1 1 6 6 G H22 H . . . 1 1 16 16 C H2' H . . . . . 4.666 4.566 4.766 . . . . . A . 6 G H22 . . A . 16 C H2' . . . 6 . H22 . . . . . 16 . H2' . . rr_1szy 1 625 1 . . 1 1 16 16 C H42 H . . . 1 1 6 6 G H22 H . . . . . 4.566 4.466 4.666 . . . . . A . 16 C H42 . . A . 6 G H22 . . . 16 . H42 . . . . . 6 . H22 . . rr_1szy 1 626 1 . . 1 1 17 17 C H1' H . . . 1 1 6 6 G H22 H . . . . . 4.373 4.273 4.473 . . . . . A . 17 C H1' . . A . 6 G H22 . . . 17 . H1' . . . . . 6 . H22 . . rr_1szy 1 627 1 . . 1 1 6 6 G H22 H . . . 1 1 17 17 C H6 H . . . . . 4.961 4.861 5.061 . . . . . A . 6 G H22 . . A . 17 C H6 . . . 6 . H22 . . . . . 17 . H6 . . rr_1szy 1 628 1 . . 1 1 7 7 G H8 H . . . 1 1 6 6 G H8 H . . . . . 4.797 4.697 4.897 . . . . . A . 7 G H8 . . A . 6 G H8 . . . 7 . H8 . . . . . 6 . H8 . . rr_1szy 1 629 1 . . 1 1 6 6 G H1 H . . . 1 1 7 7 G H1 H . . . . . 4.082 3.982 4.182 . . . . . A . 6 G H1 . . A . 7 G H1 . . . 6 . H1 . . . . . 7 . H1 . . rr_1szy 1 630 1 . . 1 1 6 6 G H1 H . . . 1 1 15 15 C H42 H . . . . . 4.747 4.647 4.847 . . . . . A . 6 G H1 . . A . 15 C H42 . . . 6 . H1 . . . . . 15 . H42 . . rr_1szy 1 631 1 . . 1 1 6 6 G H1 H . . . 1 1 16 16 C H41 H . . . . . 4.023 3.923 4.123 . . . . . A . 6 G H1 . . A . 16 C H41 . . . 6 . H1 . . . . . 16 . H41 . . rr_1szy 1 632 1 . . 1 1 6 6 G H1 H . . . 1 1 16 16 C H42 H . . . . . 2.478 2.378 2.578 . . . . . A . 6 G H1 . . A . 16 C H42 . . . 6 . H1 . . . . . 16 . H42 . . rr_1szy 1 633 1 . . 1 1 17 17 C H41 H . . . 1 1 6 6 G H1 H . . . . . 4.084 3.984 4.184 . . . . . A . 17 C H41 . . A . 6 G H1 . . . 17 . H41 . . . . . 6 . H1 . . rr_1szy 1 634 1 . . 1 1 17 17 C H42 H . . . 1 1 6 6 G H1 H . . . . . 3.888 3.788 3.988 . . . . . A . 17 C H42 . . A . 6 G H1 . . . 17 . H42 . . . . . 6 . H1 . . rr_1szy 1 635 1 . . 1 1 6 6 G H1 H . . . 1 1 17 17 C H5 H . . . . . 4.398 4.298 4.498 . . . . . A . 6 G H1 . . A . 17 C H5 . . . 6 . H1 . . . . . 17 . H5 . . rr_1szy 1 636 1 . . 1 1 7 7 G H1' H . . . 1 1 7 7 G H2' H . . . . . 2.805 2.705 2.905 . . . . . A . 7 G H1' . . A . 7 G H2' . . . 7 . H1' . . . . . 7 . H2' . . rr_1szy 1 637 1 . . 1 1 7 7 G H1' H . . . 1 1 7 7 G H3' H . . . . . 3.857 3.757 3.957 . . . . . A . 7 G H1' . . A . 7 G H3' . . . 7 . H1' . . . . . 7 . H3' . . rr_1szy 1 638 1 . . 1 1 7 7 G H1' H . . . 1 1 7 7 G H4' H . . . . . 3.397 3.297 3.497 . . . . . A . 7 G H1' . . A . 7 G H4' . . . 7 . H1' . . . . . 7 . H4' . . rr_1szy 1 639 1 . . 1 1 7 7 G H1' H . . . 1 1 7 7 G H5' H . . . . . 4.577 4.477 4.677 . . . . . A . 7 G H1' . . A . 7 G H5' . . . 7 . H1' . . . . . 7 . H5' . . rr_1szy 1 640 1 . . 1 1 7 7 G H1' H . . . 1 1 7 7 G HO2' H . . . . . 2.565 2.465 2.665 . . . . . A . 7 G H1' . . A . 7 G HO2' . . . 7 . H1' . . . . . 7 . HO2' . . rr_1szy 1 641 1 . . 1 1 7 7 G H1' H . . . 1 1 7 7 G H21 H . . . . . 4.775 4.675 4.875 . . . . . A . 7 G H1' . . A . 7 G H21 . . . 7 . H1' . . . . . 7 . H21 . . rr_1szy 1 642 1 . . 1 1 7 7 G H8 H . . . 1 1 7 7 G H1' H . . . . . 3.727 3.627 3.827 . . . . . A . 7 G H8 . . A . 7 G H1' . . . 7 . H8 . . . . . 7 . H1' . . rr_1szy 1 643 1 . . 1 1 7 7 G H2' H . . . 1 1 7 7 G H3' H . . . . . 2.425 2.325 2.525 . . . . . A . 7 G H2' . . A . 7 G H3' . . . 7 . H2' . . . . . 7 . H3' . . rr_1szy 1 644 1 . . 1 1 7 7 G H2' H . . . 1 1 7 7 G H4' H . . . . . 3.813 3.713 3.913 . . . . . A . 7 G H2' . . A . 7 G H4' . . . 7 . H2' . . . . . 7 . H4' . . rr_1szy 1 645 1 . . 1 1 7 7 G H2' H . . . 1 1 7 7 G HO2' H . . . . . 2.947 2.847 3.047 . . . . . A . 7 G H2' . . A . 7 G HO2' . . . 7 . H2' . . . . . 7 . HO2' . . rr_1szy 1 646 1 . . 1 1 7 7 G H2' H . . . 1 1 7 7 G H21 H . . . . . 4.701 4.601 4.801 . . . . . A . 7 G H2' . . A . 7 G H21 . . . 7 . H2' . . . . . 7 . H21 . . rr_1szy 1 647 1 . . 1 1 7 7 G H8 H . . . 1 1 7 7 G H2' H . . . . . 4.150 4.050 4.250 . . . . . A . 7 G H8 . . A . 7 G H2' . . . 7 . H8 . . . . . 7 . H2' . . rr_1szy 1 648 1 . . 1 1 7 7 G H3' H . . . 1 1 7 7 G H4' H . . . . . 3.007 2.907 3.107 . . . . . A . 7 G H3' . . A . 7 G H4' . . . 7 . H3' . . . . . 7 . H4' . . rr_1szy 1 649 1 . . 1 1 7 7 G H3' H . . . 1 1 7 7 G H5' H . . . . . 3.687 3.587 3.787 . . . . . A . 7 G H3' . . A . 7 G H5' . . . 7 . H3' . . . . . 7 . H5' . . rr_1szy 1 650 1 . . 1 1 7 7 G H3' H . . . 1 1 7 7 G H5'' H . . . . . 3.085 2.985 3.185 . . . . . A . 7 G H3' . . A . 7 G H5'' . . . 7 . H3' . . . . . 7 . H5'' . . rr_1szy 1 651 1 . . 1 1 7 7 G H3' H . . . 1 1 7 7 G HO2' H . . . . . 3.596 3.496 3.696 . . . . . A . 7 G H3' . . A . 7 G HO2' . . . 7 . H3' . . . . . 7 . HO2' . . rr_1szy 1 652 1 . . 1 1 7 7 G H8 H . . . 1 1 7 7 G H3' H . . . . . 3.196 3.096 3.296 . . . . . A . 7 G H8 . . A . 7 G H3' . . . 7 . H8 . . . . . 7 . H3' . . rr_1szy 1 653 1 . . 1 1 7 7 G H5' H . . . 1 1 7 7 G H4' H . . . . . 2.534 2.434 2.634 . . . . . A . 7 G H5' . . A . 7 G H4' . . . 7 . H5' . . . . . 7 . H4' . . rr_1szy 1 654 1 . . 1 1 7 7 G H4' H . . . 1 1 7 7 G H5'' H . . . . . 2.370 2.270 2.470 . . . . . A . 7 G H4' . . A . 7 G H5'' . . . 7 . H4' . . . . . 7 . H5'' . . rr_1szy 1 655 1 . . 1 1 7 7 G H4' H . . . 1 1 7 7 G HO2' H . . . . . 2.043 1.943 2.143 . . . . . A . 7 G H4' . . A . 7 G HO2' . . . 7 . H4' . . . . . 7 . HO2' . . rr_1szy 1 656 1 . . 1 1 7 7 G H8 H . . . 1 1 7 7 G H4' H . . . . . 4.410 4.310 4.510 . . . . . A . 7 G H8 . . A . 7 G H4' . . . 7 . H8 . . . . . 7 . H4' . . rr_1szy 1 657 1 . . 1 1 7 7 G H5' H . . . 1 1 7 7 G H5'' H . . . . . 1.776 1.676 1.876 . . . . . A . 7 G H5' . . A . 7 G H5'' . . . 7 . H5' . . . . . 7 . H5'' . . rr_1szy 1 658 1 . . 1 1 7 7 G H5' H . . . 1 1 7 7 G HO2' H . . . . . 4.409 4.309 4.509 . . . . . A . 7 G H5' . . A . 7 G HO2' . . . 7 . H5' . . . . . 7 . HO2' . . rr_1szy 1 659 1 . . 1 1 7 7 G H8 H . . . 1 1 7 7 G H5' H . . . . . 3.564 3.464 3.664 . . . . . A . 7 G H8 . . A . 7 G H5' . . . 7 . H8 . . . . . 7 . H5' . . rr_1szy 1 660 1 . . 1 1 7 7 G H5'' H . . . 1 1 7 7 G HO2' H . . . . . 4.309 4.209 4.409 . . . . . A . 7 G H5'' . . A . 7 G HO2' . . . 7 . H5'' . . . . . 7 . HO2' . . rr_1szy 1 661 1 . . 1 1 7 7 G H8 H . . . 1 1 7 7 G H5'' H . . . . . 4.368 4.268 4.468 . . . . . A . 7 G H8 . . A . 7 G H5'' . . . 7 . H8 . . . . . 7 . H5'' . . rr_1szy 1 662 1 . . 1 1 7 7 G H21 H . . . 1 1 7 7 G H22 H . . . . . 1.784 1.684 1.884 . . . . . A . 7 G H21 . . A . 7 G H22 . . . 7 . H21 . . . . . 7 . H22 . . rr_1szy 1 663 1 . . 1 1 7 7 G H21 H . . . 1 1 7 7 G H1 H . . . . . 3.479 3.379 3.579 . . . . . A . 7 G H21 . . A . 7 G H1 . . . 7 . H21 . . . . . 7 . H1 . . rr_1szy 1 664 1 . . 1 1 7 7 G H21 H . . . 1 1 16 16 C H1' H . . . . . 4.493 4.393 4.593 . . . . . A . 7 G H21 . . A . 16 C H1' . . . 7 . H21 . . . . . 16 . H1' . . rr_1szy 1 665 1 . . 1 1 7 7 G H1 H . . . 1 1 7 7 G H22 H . . . . . 2.168 2.068 2.268 . . . . . A . 7 G H1 . . A . 7 G H22 . . . 7 . H1 . . . . . 7 . H22 . . rr_1szy 1 666 1 . . 1 1 15 15 C H1' H . . . 1 1 7 7 G H22 H . . . . . 4.317 4.217 4.417 . . . . . A . 15 C H1' . . A . 7 G H22 . . . 15 . H1' . . . . . 7 . H22 . . rr_1szy 1 667 1 . . 1 1 7 7 G H22 H . . . 1 1 15 15 C H2' H . . . . . 4.667 4.567 4.767 . . . . . A . 7 G H22 . . A . 15 C H2' . . . 7 . H22 . . . . . 15 . H2' . . rr_1szy 1 668 1 . . 1 1 15 15 C H42 H . . . 1 1 7 7 G H22 H . . . . . 4.566 4.466 4.666 . . . . . A . 15 C H42 . . A . 7 G H22 . . . 15 . H42 . . . . . 7 . H22 . . rr_1szy 1 669 1 . . 1 1 16 16 C H1' H . . . 1 1 7 7 G H22 H . . . . . 4.373 4.273 4.473 . . . . . A . 16 C H1' . . A . 7 G H22 . . . 16 . H1' . . . . . 7 . H22 . . rr_1szy 1 670 1 . . 1 1 7 7 G H22 H . . . 1 1 16 16 C H6 H . . . . . 4.961 4.861 5.061 . . . . . A . 7 G H22 . . A . 16 C H6 . . . 7 . H22 . . . . . 16 . H6 . . rr_1szy 1 671 1 . . 1 1 7 7 G H1 H . . . 1 1 15 15 C H41 H . . . . . 4.023 3.923 4.123 . . . . . A . 7 G H1 . . A . 15 C H41 . . . 7 . H1 . . . . . 15 . H41 . . rr_1szy 1 672 1 . . 1 1 7 7 G H1 H . . . 1 1 15 15 C H42 H . . . . . 2.478 2.378 2.578 . . . . . A . 7 G H1 . . A . 15 C H42 . . . 7 . H1 . . . . . 15 . H42 . . rr_1szy 1 673 1 . . 1 1 7 7 G H1 H . . . 1 1 16 16 C H41 H . . . . . 4.085 3.985 4.185 . . . . . A . 7 G H1 . . A . 16 C H41 . . . 7 . H1 . . . . . 16 . H41 . . rr_1szy 1 674 1 . . 1 1 16 16 C H42 H . . . 1 1 7 7 G H1 H . . . . . 3.888 3.788 3.988 . . . . . A . 16 C H42 . . A . 7 G H1 . . . 16 . H42 . . . . . 7 . H1 . . rr_1szy 1 675 1 . . 1 1 7 7 G H1 H . . . 1 1 16 16 C H5 H . . . . . 4.398 4.298 4.498 . . . . . A . 7 G H1 . . A . 16 C H5 . . . 7 . H1 . . . . . 16 . H5 . . rr_1szy 1 676 1 . . 1 1 15 15 C H1' H . . . 1 1 15 15 C H2' H . . . . . 2.805 2.705 2.905 . . . . . A . 15 C H1' . . A . 15 C H2' . . . 15 . H1' . . . . . 15 . H2' . . rr_1szy 1 677 1 . . 1 1 15 15 C H1' H . . . 1 1 15 15 C H3' H . . . . . 3.857 3.757 3.957 . . . . . A . 15 C H1' . . A . 15 C H3' . . . 15 . H1' . . . . . 15 . H3' . . rr_1szy 1 678 1 . . 1 1 15 15 C H1' H . . . 1 1 15 15 C H4' H . . . . . 3.398 3.298 3.498 . . . . . A . 15 C H1' . . A . 15 C H4' . . . 15 . H1' . . . . . 15 . H4' . . rr_1szy 1 679 1 . . 1 1 15 15 C H1' H . . . 1 1 15 15 C H5' H . . . . . 4.578 4.478 4.678 . . . . . A . 15 C H1' . . A . 15 C H5' . . . 15 . H1' . . . . . 15 . H5' . . rr_1szy 1 680 1 . . 1 1 15 15 C H1' H . . . 1 1 15 15 C HO2' H . . . . . 2.989 2.889 3.089 . . . . . A . 15 C H1' . . A . 15 C HO2' . . . 15 . H1' . . . . . 15 . HO2' . . rr_1szy 1 681 1 . . 1 1 15 15 C H1' H . . . 1 1 15 15 C H6 H . . . . . 3.520 3.420 3.620 . . . . . A . 15 C H1' . . A . 15 C H6 . . . 15 . H1' . . . . . 15 . H6 . . rr_1szy 1 682 1 . . 1 1 15 15 C H1' H . . . 1 1 16 16 C H5' H . . . . . 4.677 4.577 4.777 . . . . . A . 15 C H1' . . A . 16 C H5' . . . 15 . H1' . . . . . 16 . H5' . . rr_1szy 1 683 1 . . 1 1 15 15 C H1' H . . . 1 1 16 16 C H6 H . . . . . 4.297 4.197 4.397 . . . . . A . 15 C H1' . . A . 16 C H6 . . . 15 . H1' . . . . . 16 . H6 . . rr_1szy 1 684 1 . . 1 1 15 15 C H1' H . . . 1 1 16 16 C H5 H . . . . . 4.979 4.879 5.079 . . . . . A . 15 C H1' . . A . 16 C H5 . . . 15 . H1' . . . . . 16 . H5 . . rr_1szy 1 685 1 . . 1 1 15 15 C H2' H . . . 1 1 15 15 C H3' H . . . . . 2.425 2.325 2.525 . . . . . A . 15 C H2' . . A . 15 C H3' . . . 15 . H2' . . . . . 15 . H3' . . rr_1szy 1 686 1 . . 1 1 15 15 C H2' H . . . 1 1 15 15 C H4' H . . . . . 3.813 3.713 3.913 . . . . . A . 15 C H2' . . A . 15 C H4' . . . 15 . H2' . . . . . 15 . H4' . . rr_1szy 1 687 1 . . 1 1 15 15 C H2' H . . . 1 1 15 15 C HO2' H . . . . . 2.193 2.093 2.293 . . . . . A . 15 C H2' . . A . 15 C HO2' . . . 15 . H2' . . . . . 15 . HO2' . . rr_1szy 1 688 1 . . 1 1 15 15 C H6 H . . . 1 1 15 15 C H2' H . . . . . 3.999 3.899 4.099 . . . . . A . 15 C H6 . . A . 15 C H2' . . . 15 . H6 . . . . . 15 . H2' . . rr_1szy 1 689 1 . . 1 1 16 16 C H1' H . . . 1 1 15 15 C H2' H . . . . . 4.193 4.093 4.293 . . . . . A . 16 C H1' . . A . 15 C H2' . . . 16 . H1' . . . . . 15 . H2' . . rr_1szy 1 690 1 . . 1 1 15 15 C H2' H . . . 1 1 16 16 C H3' H . . . . . 4.263 4.163 4.363 . . . . . A . 15 C H2' . . A . 16 C H3' . . . 15 . H2' . . . . . 16 . H3' . . rr_1szy 1 691 1 . . 1 1 15 15 C H2' H . . . 1 1 16 16 C H4' H . . . . . 4.442 4.342 4.542 . . . . . A . 15 C H2' . . A . 16 C H4' . . . 15 . H2' . . . . . 16 . H4' . . rr_1szy 1 692 1 . . 1 1 15 15 C H2' H . . . 1 1 16 16 C H5' H . . . . . 2.891 2.791 2.991 . . . . . A . 15 C H2' . . A . 16 C H5' . . . 15 . H2' . . . . . 16 . H5' . . rr_1szy 1 693 1 . . 1 1 15 15 C H2' H . . . 1 1 16 16 C H5'' H . . . . . 4.268 4.168 4.368 . . . . . A . 15 C H2' . . A . 16 C H5'' . . . 15 . H2' . . . . . 16 . H5'' . . rr_1szy 1 694 1 . . 1 1 15 15 C H2' H . . . 1 1 16 16 C H6 H . . . . . 1.583 1.483 1.683 . . . . . A . 15 C H2' . . A . 16 C H6 . . . 15 . H2' . . . . . 16 . H6 . . rr_1szy 1 695 1 . . 1 1 15 15 C H2' H . . . 1 1 16 16 C H5 H . . . . . 3.089 2.989 3.189 . . . . . A . 15 C H2' . . A . 16 C H5 . . . 15 . H2' . . . . . 16 . H5 . . rr_1szy 1 696 1 . . 1 1 15 15 C H3' H . . . 1 1 15 15 C H4' H . . . . . 3.008 2.908 3.108 . . . . . A . 15 C H3' . . A . 15 C H4' . . . 15 . H3' . . . . . 15 . H4' . . rr_1szy 1 697 1 . . 1 1 15 15 C H3' H . . . 1 1 15 15 C H5' H . . . . . 3.687 3.587 3.787 . . . . . A . 15 C H3' . . A . 15 C H5' . . . 15 . H3' . . . . . 15 . H5' . . rr_1szy 1 698 1 . . 1 1 15 15 C H5'' H . . . 1 1 15 15 C H3' H . . . . . 3.085 2.985 3.185 . . . . . A . 15 C H5'' . . A . 15 C H3' . . . 15 . H5'' . . . . . 15 . H3' . . rr_1szy 1 699 1 . . 1 1 15 15 C H3' H . . . 1 1 15 15 C HO2' H . . . . . 3.994 3.894 4.094 . . . . . A . 15 C H3' . . A . 15 C HO2' . . . 15 . H3' . . . . . 15 . HO2' . . rr_1szy 1 700 1 . . 1 1 15 15 C H6 H . . . 1 1 15 15 C H3' H . . . . . 2.988 2.888 3.088 . . . . . A . 15 C H6 . . A . 15 C H3' . . . 15 . H6 . . . . . 15 . H3' . . rr_1szy 1 701 1 . . 1 1 15 15 C H5 H . . . 1 1 15 15 C H3' H . . . . . 4.768 4.668 4.868 . . . . . A . 15 C H5 . . A . 15 C H3' . . . 15 . H5 . . . . . 15 . H3' . . rr_1szy 1 702 1 . . 1 1 15 15 C H3' H . . . 1 1 16 16 C H5' H . . . . . 3.959 3.859 4.059 . . . . . A . 15 C H3' . . A . 16 C H5' . . . 15 . H3' . . . . . 16 . H5' . . rr_1szy 1 703 1 . . 1 1 15 15 C H3' H . . . 1 1 16 16 C H5'' H . . . . . 4.908 4.808 5.008 . . . . . A . 15 C H3' . . A . 16 C H5'' . . . 15 . H3' . . . . . 16 . H5'' . . rr_1szy 1 704 1 . . 1 1 16 16 C H6 H . . . 1 1 15 15 C H3' H . . . . . 3.104 3.004 3.204 . . . . . A . 16 C H6 . . A . 15 C H3' . . . 16 . H6 . . . . . 15 . H3' . . rr_1szy 1 705 1 . . 1 1 16 16 C H5 H . . . 1 1 15 15 C H3' H . . . . . 3.313 3.213 3.413 . . . . . A . 16 C H5 . . A . 15 C H3' . . . 16 . H5 . . . . . 15 . H3' . . rr_1szy 1 706 1 . . 1 1 15 15 C H4' H . . . 1 1 15 15 C H5' H . . . . . 2.535 2.435 2.635 . . . . . A . 15 C H4' . . A . 15 C H5' . . . 15 . H4' . . . . . 15 . H5' . . rr_1szy 1 707 1 . . 1 1 15 15 C H5'' H . . . 1 1 15 15 C H4' H . . . . . 2.371 2.271 2.471 . . . . . A . 15 C H5'' . . A . 15 C H4' . . . 15 . H5'' . . . . . 15 . H4' . . rr_1szy 1 708 1 . . 1 1 15 15 C H4' H . . . 1 1 15 15 C HO2' H . . . . . 3.778 3.678 3.878 . . . . . A . 15 C H4' . . A . 15 C HO2' . . . 15 . H4' . . . . . 15 . HO2' . . rr_1szy 1 709 1 . . 1 1 15 15 C H6 H . . . 1 1 15 15 C H4' H . . . . . 4.052 3.952 4.152 . . . . . A . 15 C H6 . . A . 15 C H4' . . . 15 . H6 . . . . . 15 . H4' . . rr_1szy 1 710 1 . . 1 1 15 15 C H4' H . . . 1 1 16 16 C H5' H . . . . . 4.167 4.067 4.267 . . . . . A . 15 C H4' . . A . 16 C H5' . . . 15 . H4' . . . . . 16 . H5' . . rr_1szy 1 711 1 . . 1 1 15 15 C H5'' H . . . 1 1 15 15 C H5' H . . . . . 1.776 1.676 1.876 . . . . . A . 15 C H5'' . . A . 15 C H5' . . . 15 . H5'' . . . . . 15 . H5' . . rr_1szy 1 712 1 . . 1 1 15 15 C H6 H . . . 1 1 15 15 C H5' H . . . . . 3.241 3.141 3.341 . . . . . A . 15 C H6 . . A . 15 C H5' . . . 15 . H6 . . . . . 15 . H5' . . rr_1szy 1 713 1 . . 1 1 15 15 C H6 H . . . 1 1 15 15 C H5'' H . . . . . 4.055 3.955 4.155 . . . . . A . 15 C H6 . . A . 15 C H5'' . . . 15 . H6 . . . . . 15 . H5'' . . rr_1szy 1 714 1 . . 1 1 16 16 C H1' H . . . 1 1 15 15 C HO2' H . . . . . 4.151 4.051 4.251 . . . . . A . 16 C H1' . . A . 15 C HO2' . . . 16 . H1' . . . . . 15 . HO2' . . rr_1szy 1 715 1 . . 1 1 15 15 C HO2' H . . . 1 1 16 16 C H3' H . . . . . 4.845 4.745 4.945 . . . . . A . 15 C HO2' . . A . 16 C H3' . . . 15 . HO2' . . . . . 16 . H3' . . rr_1szy 1 716 1 . . 1 1 15 15 C HO2' H . . . 1 1 16 16 C H4' H . . . . . 3.522 3.422 3.622 . . . . . A . 15 C HO2' . . A . 16 C H4' . . . 15 . HO2' . . . . . 16 . H4' . . rr_1szy 1 717 1 . . 1 1 15 15 C HO2' H . . . 1 1 16 16 C H5' H . . . . . 1.994 1.894 2.094 . . . . . A . 15 C HO2' . . A . 16 C H5' . . . 15 . HO2' . . . . . 16 . H5' . . rr_1szy 1 718 1 . . 1 1 15 15 C HO2' H . . . 1 1 16 16 C H5'' H . . . . . 3.738 3.638 3.838 . . . . . A . 15 C HO2' . . A . 16 C H5'' . . . 15 . HO2' . . . . . 16 . H5'' . . rr_1szy 1 719 1 . . 1 1 16 16 C H6 H . . . 1 1 15 15 C HO2' H . . . . . 3.222 3.122 3.322 . . . . . A . 16 C H6 . . A . 15 C HO2' . . . 16 . H6 . . . . . 15 . HO2' . . rr_1szy 1 720 1 . . 1 1 15 15 C H42 H . . . 1 1 15 15 C H41 H . . . . . 1.785 1.685 1.885 . . . . . A . 15 C H42 . . A . 15 C H41 . . . 15 . H42 . . . . . 15 . H41 . . rr_1szy 1 721 1 . . 1 1 15 15 C H6 H . . . 1 1 15 15 C H41 H . . . . . 4.650 4.550 4.750 . . . . . A . 15 C H6 . . A . 15 C H41 . . . 15 . H6 . . . . . 15 . H41 . . rr_1szy 1 722 1 . . 1 1 15 15 C H5 H . . . 1 1 15 15 C H41 H . . . . . 2.425 2.325 2.525 . . . . . A . 15 C H5 . . A . 15 C H41 . . . 15 . H5 . . . . . 15 . H41 . . rr_1szy 1 723 1 . . 1 1 16 16 C H41 H . . . 1 1 15 15 C H41 H . . . . . 3.221 3.121 3.321 . . . . . A . 16 C H41 . . A . 15 C H41 . . . 16 . H41 . . . . . 15 . H41 . . rr_1szy 1 724 1 . . 1 1 16 16 C H42 H . . . 1 1 15 15 C H41 H . . . . . 4.125 4.025 4.225 . . . . . A . 16 C H42 . . A . 15 C H41 . . . 16 . H42 . . . . . 15 . H41 . . rr_1szy 1 725 1 . . 1 1 15 15 C H41 H . . . 1 1 16 16 C H5 H . . . . . 4.475 4.375 4.575 . . . . . A . 15 C H41 . . A . 16 C H5 . . . 15 . H41 . . . . . 16 . H5 . . rr_1szy 1 726 1 . . 1 1 15 15 C H5 H . . . 1 1 15 15 C H42 H . . . . . 3.708 3.608 3.808 . . . . . A . 15 C H5 . . A . 15 C H42 . . . 15 . H5 . . . . . 15 . H42 . . rr_1szy 1 727 1 . . 1 1 15 15 C H42 H . . . 1 1 16 16 C H41 H . . . . . 3.066 2.966 3.166 . . . . . A . 15 C H42 . . A . 16 C H41 . . . 15 . H42 . . . . . 16 . H41 . . rr_1szy 1 728 1 . . 1 1 16 16 C H42 H . . . 1 1 15 15 C H42 H . . . . . 3.264 3.164 3.364 . . . . . A . 16 C H42 . . A . 15 C H42 . . . 16 . H42 . . . . . 15 . H42 . . rr_1szy 1 729 1 . . 1 1 15 15 C H42 H . . . 1 1 16 16 C H5 H . . . . . 4.393 4.293 4.493 . . . . . A . 15 C H42 . . A . 16 C H5 . . . 15 . H42 . . . . . 16 . H5 . . rr_1szy 1 730 1 . . 1 1 15 15 C H6 H . . . 1 1 15 15 C H5 H . . . . . 2.457 2.357 2.557 . . . . . A . 15 C H6 . . A . 15 C H5 . . . 15 . H6 . . . . . 15 . H5 . . rr_1szy 1 731 1 . . 1 1 15 15 C H6 H . . . 1 1 16 16 C H6 H . . . . . 4.952 4.852 5.052 . . . . . A . 15 C H6 . . A . 16 C H6 . . . 15 . H6 . . . . . 16 . H6 . . rr_1szy 1 732 1 . . 1 1 15 15 C H6 H . . . 1 1 16 16 C H5 H . . . . . 4.001 3.901 4.101 . . . . . A . 15 C H6 . . A . 16 C H5 . . . 15 . H6 . . . . . 16 . H5 . . rr_1szy 1 733 1 . . 1 1 15 15 C H5 H . . . 1 1 16 16 C H41 H . . . . . 4.046 3.946 4.146 . . . . . A . 15 C H5 . . A . 16 C H41 . . . 15 . H5 . . . . . 16 . H41 . . rr_1szy 1 734 1 . . 1 1 15 15 C H5 H . . . 1 1 16 16 C H5 H . . . . . 3.994 3.894 4.094 . . . . . A . 15 C H5 . . A . 16 C H5 . . . 15 . H5 . . . . . 16 . H5 . . rr_1szy 1 735 1 . . 1 1 16 16 C H1' H . . . 1 1 16 16 C H2' H . . . . . 2.805 2.705 2.905 . . . . . A . 16 C H1' . . A . 16 C H2' . . . 16 . H1' . . . . . 16 . H2' . . rr_1szy 1 736 1 . . 1 1 16 16 C H1' H . . . 1 1 16 16 C H3' H . . . . . 3.857 3.757 3.957 . . . . . A . 16 C H1' . . A . 16 C H3' . . . 16 . H1' . . . . . 16 . H3' . . rr_1szy 1 737 1 . . 1 1 16 16 C H1' H . . . 1 1 16 16 C H4' H . . . . . 3.398 3.298 3.498 . . . . . A . 16 C H1' . . A . 16 C H4' . . . 16 . H1' . . . . . 16 . H4' . . rr_1szy 1 738 1 . . 1 1 16 16 C H1' H . . . 1 1 16 16 C H5' H . . . . . 4.577 4.477 4.677 . . . . . A . 16 C H1' . . A . 16 C H5' . . . 16 . H1' . . . . . 16 . H5' . . rr_1szy 1 739 1 . . 1 1 16 16 C H1' H . . . 1 1 16 16 C HO2' H . . . . . 2.989 2.889 3.089 . . . . . A . 16 C H1' . . A . 16 C HO2' . . . 16 . H1' . . . . . 16 . HO2' . . rr_1szy 1 740 1 . . 1 1 16 16 C H1' H . . . 1 1 16 16 C H6 H . . . . . 3.520 3.420 3.620 . . . . . A . 16 C H1' . . A . 16 C H6 . . . 16 . H1' . . . . . 16 . H6 . . rr_1szy 1 741 1 . . 1 1 16 16 C H1' H . . . 1 1 17 17 C H5' H . . . . . 4.676 4.576 4.776 . . . . . A . 16 C H1' . . A . 17 C H5' . . . 16 . H1' . . . . . 17 . H5' . . rr_1szy 1 742 1 . . 1 1 16 16 C H1' H . . . 1 1 17 17 C H6 H . . . . . 4.297 4.197 4.397 . . . . . A . 16 C H1' . . A . 17 C H6 . . . 16 . H1' . . . . . 17 . H6 . . rr_1szy 1 743 1 . . 1 1 16 16 C H1' H . . . 1 1 17 17 C H5 H . . . . . 4.979 4.879 5.079 . . . . . A . 16 C H1' . . A . 17 C H5 . . . 16 . H1' . . . . . 17 . H5 . . rr_1szy 1 744 1 . . 1 1 16 16 C H2' H . . . 1 1 16 16 C H3' H . . . . . 2.425 2.325 2.525 . . . . . A . 16 C H2' . . A . 16 C H3' . . . 16 . H2' . . . . . 16 . H3' . . rr_1szy 1 745 1 . . 1 1 16 16 C H2' H . . . 1 1 16 16 C H4' H . . . . . 3.813 3.713 3.913 . . . . . A . 16 C H2' . . A . 16 C H4' . . . 16 . H2' . . . . . 16 . H4' . . rr_1szy 1 746 1 . . 1 1 16 16 C H2' H . . . 1 1 16 16 C HO2' H . . . . . 2.192 2.092 2.292 . . . . . A . 16 C H2' . . A . 16 C HO2' . . . 16 . H2' . . . . . 16 . HO2' . . rr_1szy 1 747 1 . . 1 1 16 16 C H2' H . . . 1 1 16 16 C H6 H . . . . . 3.999 3.899 4.099 . . . . . A . 16 C H2' . . A . 16 C H6 . . . 16 . H2' . . . . . 16 . H6 . . rr_1szy 1 748 1 . . 1 1 17 17 C H1' H . . . 1 1 16 16 C H2' H . . . . . 4.193 4.093 4.293 . . . . . A . 17 C H1' . . A . 16 C H2' . . . 17 . H1' . . . . . 16 . H2' . . rr_1szy 1 749 1 . . 1 1 16 16 C H2' H . . . 1 1 17 17 C H3' H . . . . . 4.263 4.163 4.363 . . . . . A . 16 C H2' . . A . 17 C H3' . . . 16 . H2' . . . . . 17 . H3' . . rr_1szy 1 750 1 . . 1 1 16 16 C H2' H . . . 1 1 17 17 C H4' H . . . . . 4.441 4.341 4.541 . . . . . A . 16 C H2' . . A . 17 C H4' . . . 16 . H2' . . . . . 17 . H4' . . rr_1szy 1 751 1 . . 1 1 16 16 C H2' H . . . 1 1 17 17 C H5' H . . . . . 2.890 2.790 2.990 . . . . . A . 16 C H2' . . A . 17 C H5' . . . 16 . H2' . . . . . 17 . H5' . . rr_1szy 1 752 1 . . 1 1 16 16 C H2' H . . . 1 1 17 17 C H5'' H . . . . . 4.268 4.168 4.368 . . . . . A . 16 C H2' . . A . 17 C H5'' . . . 16 . H2' . . . . . 17 . H5'' . . rr_1szy 1 753 1 . . 1 1 16 16 C H2' H . . . 1 1 17 17 C H6 H . . . . . 1.583 1.483 1.683 . . . . . A . 16 C H2' . . A . 17 C H6 . . . 16 . H2' . . . . . 17 . H6 . . rr_1szy 1 754 1 . . 1 1 16 16 C H2' H . . . 1 1 17 17 C H5 H . . . . . 3.089 2.989 3.189 . . . . . A . 16 C H2' . . A . 17 C H5 . . . 16 . H2' . . . . . 17 . H5 . . rr_1szy 1 755 1 . . 1 1 16 16 C H3' H . . . 1 1 16 16 C H4' H . . . . . 3.007 2.907 3.107 . . . . . A . 16 C H3' . . A . 16 C H4' . . . 16 . H3' . . . . . 16 . H4' . . rr_1szy 1 756 1 . . 1 1 16 16 C H5' H . . . 1 1 16 16 C H3' H . . . . . 3.687 3.587 3.787 . . . . . A . 16 C H5' . . A . 16 C H3' . . . 16 . H5' . . . . . 16 . H3' . . rr_1szy 1 757 1 . . 1 1 16 16 C H3' H . . . 1 1 16 16 C H5'' H . . . . . 3.085 2.985 3.185 . . . . . A . 16 C H3' . . A . 16 C H5'' . . . 16 . H3' . . . . . 16 . H5'' . . rr_1szy 1 758 1 . . 1 1 16 16 C H3' H . . . 1 1 16 16 C HO2' H . . . . . 3.993 3.893 4.093 . . . . . A . 16 C H3' . . A . 16 C HO2' . . . 16 . H3' . . . . . 16 . HO2' . . rr_1szy 1 759 1 . . 1 1 16 16 C H6 H . . . 1 1 16 16 C H3' H . . . . . 2.988 2.888 3.088 . . . . . A . 16 C H6 . . A . 16 C H3' . . . 16 . H6 . . . . . 16 . H3' . . rr_1szy 1 760 1 . . 1 1 16 16 C H5 H . . . 1 1 16 16 C H3' H . . . . . 4.769 4.669 4.869 . . . . . A . 16 C H5 . . A . 16 C H3' . . . 16 . H5 . . . . . 16 . H3' . . rr_1szy 1 761 1 . . 1 1 16 16 C H3' H . . . 1 1 17 17 C H5' H . . . . . 3.958 3.858 4.058 . . . . . A . 16 C H3' . . A . 17 C H5' . . . 16 . H3' . . . . . 17 . H5' . . rr_1szy 1 762 1 . . 1 1 16 16 C H3' H . . . 1 1 17 17 C H5'' H . . . . . 4.908 4.808 5.008 . . . . . A . 16 C H3' . . A . 17 C H5'' . . . 16 . H3' . . . . . 17 . H5'' . . rr_1szy 1 763 1 . . 1 1 17 17 C H6 H . . . 1 1 16 16 C H3' H . . . . . 3.104 3.004 3.204 . . . . . A . 17 C H6 . . A . 16 C H3' . . . 17 . H6 . . . . . 16 . H3' . . rr_1szy 1 764 1 . . 1 1 17 17 C H5 H . . . 1 1 16 16 C H3' H . . . . . 3.313 3.213 3.413 . . . . . A . 17 C H5 . . A . 16 C H3' . . . 17 . H5 . . . . . 16 . H3' . . rr_1szy 1 765 1 . . 1 1 16 16 C H5' H . . . 1 1 16 16 C H4' H . . . . . 2.534 2.434 2.634 . . . . . A . 16 C H5' . . A . 16 C H4' . . . 16 . H5' . . . . . 16 . H4' . . rr_1szy 1 766 1 . . 1 1 16 16 C H4' H . . . 1 1 16 16 C H5'' H . . . . . 2.370 2.270 2.470 . . . . . A . 16 C H4' . . A . 16 C H5'' . . . 16 . H4' . . . . . 16 . H5'' . . rr_1szy 1 767 1 . . 1 1 16 16 C H4' H . . . 1 1 16 16 C HO2' H . . . . . 3.778 3.678 3.878 . . . . . A . 16 C H4' . . A . 16 C HO2' . . . 16 . H4' . . . . . 16 . HO2' . . rr_1szy 1 768 1 . . 1 1 16 16 C H6 H . . . 1 1 16 16 C H4' H . . . . . 4.053 3.953 4.153 . . . . . A . 16 C H6 . . A . 16 C H4' . . . 16 . H6 . . . . . 16 . H4' . . rr_1szy 1 769 1 . . 1 1 16 16 C H4' H . . . 1 1 17 17 C H5' H . . . . . 4.167 4.067 4.267 . . . . . A . 16 C H4' . . A . 17 C H5' . . . 16 . H4' . . . . . 17 . H5' . . rr_1szy 1 770 1 . . 1 1 16 16 C H5' H . . . 1 1 16 16 C H5'' H . . . . . 1.776 1.676 1.876 . . . . . A . 16 C H5' . . A . 16 C H5'' . . . 16 . H5' . . . . . 16 . H5'' . . rr_1szy 1 771 1 . . 1 1 16 16 C H6 H . . . 1 1 16 16 C H5' H . . . . . 3.241 3.141 3.341 . . . . . A . 16 C H6 . . A . 16 C H5' . . . 16 . H6 . . . . . 16 . H5' . . rr_1szy 1 772 1 . . 1 1 16 16 C H6 H . . . 1 1 16 16 C H5'' H . . . . . 4.055 3.955 4.155 . . . . . A . 16 C H6 . . A . 16 C H5'' . . . 16 . H6 . . . . . 16 . H5'' . . rr_1szy 1 773 1 . . 1 1 17 17 C H1' H . . . 1 1 16 16 C HO2' H . . . . . 4.151 4.051 4.251 . . . . . A . 17 C H1' . . A . 16 C HO2' . . . 17 . H1' . . . . . 16 . HO2' . . rr_1szy 1 774 1 . . 1 1 16 16 C HO2' H . . . 1 1 17 17 C H3' H . . . . . 4.845 4.745 4.945 . . . . . A . 16 C HO2' . . A . 17 C H3' . . . 16 . HO2' . . . . . 17 . H3' . . rr_1szy 1 775 1 . . 1 1 16 16 C HO2' H . . . 1 1 17 17 C H4' H . . . . . 3.522 3.422 3.622 . . . . . A . 16 C HO2' . . A . 17 C H4' . . . 16 . HO2' . . . . . 17 . H4' . . rr_1szy 1 776 1 . . 1 1 16 16 C HO2' H . . . 1 1 17 17 C H5' H . . . . . 1.994 1.894 2.094 . . . . . A . 16 C HO2' . . A . 17 C H5' . . . 16 . HO2' . . . . . 17 . H5' . . rr_1szy 1 777 1 . . 1 1 16 16 C HO2' H . . . 1 1 17 17 C H5'' H . . . . . 3.738 3.638 3.838 . . . . . A . 16 C HO2' . . A . 17 C H5'' . . . 16 . HO2' . . . . . 17 . H5'' . . rr_1szy 1 778 1 . . 1 1 17 17 C H6 H . . . 1 1 16 16 C HO2' H . . . . . 3.221 3.121 3.321 . . . . . A . 17 C H6 . . A . 16 C HO2' . . . 17 . H6 . . . . . 16 . HO2' . . rr_1szy 1 779 1 . . 1 1 16 16 C H42 H . . . 1 1 16 16 C H41 H . . . . . 1.784 1.684 1.884 . . . . . A . 16 C H42 . . A . 16 C H41 . . . 16 . H42 . . . . . 16 . H41 . . rr_1szy 1 780 1 . . 1 1 16 16 C H41 H . . . 1 1 16 16 C H6 H . . . . . 4.651 4.551 4.751 . . . . . A . 16 C H41 . . A . 16 C H6 . . . 16 . H41 . . . . . 16 . H6 . . rr_1szy 1 781 1 . . 1 1 16 16 C H41 H . . . 1 1 16 16 C H5 H . . . . . 2.426 2.326 2.526 . . . . . A . 16 C H41 . . A . 16 C H5 . . . 16 . H41 . . . . . 16 . H5 . . rr_1szy 1 782 1 . . 1 1 17 17 C H41 H . . . 1 1 16 16 C H41 H . . . . . 3.221 3.121 3.321 . . . . . A . 17 C H41 . . A . 16 C H41 . . . 17 . H41 . . . . . 16 . H41 . . rr_1szy 1 783 1 . . 1 1 17 17 C H42 H . . . 1 1 16 16 C H41 H . . . . . 4.124 4.024 4.224 . . . . . A . 17 C H42 . . A . 16 C H41 . . . 17 . H42 . . . . . 16 . H41 . . rr_1szy 1 784 1 . . 1 1 16 16 C H41 H . . . 1 1 17 17 C H5 H . . . . . 4.475 4.375 4.575 . . . . . A . 16 C H41 . . A . 17 C H5 . . . 16 . H41 . . . . . 17 . H5 . . rr_1szy 1 785 1 . . 1 1 16 16 C H42 H . . . 1 1 16 16 C H5 H . . . . . 3.708 3.608 3.808 . . . . . A . 16 C H42 . . A . 16 C H5 . . . 16 . H42 . . . . . 16 . H5 . . rr_1szy 1 786 1 . . 1 1 17 17 C H41 H . . . 1 1 16 16 C H42 H . . . . . 3.066 2.966 3.166 . . . . . A . 17 C H41 . . A . 16 C H42 . . . 17 . H41 . . . . . 16 . H42 . . rr_1szy 1 787 1 . . 1 1 17 17 C H42 H . . . 1 1 16 16 C H42 H . . . . . 3.264 3.164 3.364 . . . . . A . 17 C H42 . . A . 16 C H42 . . . 17 . H42 . . . . . 16 . H42 . . rr_1szy 1 788 1 . . 1 1 16 16 C H42 H . . . 1 1 17 17 C H5 H . . . . . 4.393 4.293 4.493 . . . . . A . 16 C H42 . . A . 17 C H5 . . . 16 . H42 . . . . . 17 . H5 . . rr_1szy 1 789 1 . . 1 1 16 16 C H6 H . . . 1 1 16 16 C H5 H . . . . . 2.457 2.357 2.557 . . . . . A . 16 C H6 . . A . 16 C H5 . . . 16 . H6 . . . . . 16 . H5 . . rr_1szy 1 790 1 . . 1 1 17 17 C H6 H . . . 1 1 16 16 C H6 H . . . . . 4.951 4.851 5.051 . . . . . A . 17 C H6 . . A . 16 C H6 . . . 17 . H6 . . . . . 16 . H6 . . rr_1szy 1 791 1 . . 1 1 17 17 C H5 H . . . 1 1 16 16 C H6 H . . . . . 4.001 3.901 4.101 . . . . . A . 17 C H5 . . A . 16 C H6 . . . 17 . H5 . . . . . 16 . H6 . . rr_1szy 1 792 1 . . 1 1 17 17 C H41 H . . . 1 1 16 16 C H5 H . . . . . 4.046 3.946 4.146 . . . . . A . 17 C H41 . . A . 16 C H5 . . . 17 . H41 . . . . . 16 . H5 . . rr_1szy 1 793 1 . . 1 1 17 17 C H5 H . . . 1 1 16 16 C H5 H . . . . . 3.995 3.895 4.095 . . . . . A . 17 C H5 . . A . 16 C H5 . . . 17 . H5 . . . . . 16 . H5 . . rr_1szy 1 794 1 . . 1 1 17 17 C H1' H . . . 1 1 17 17 C H2' H . . . . . 2.805 2.705 2.905 . . . . . A . 17 C H1' . . A . 17 C H2' . . . 17 . H1' . . . . . 17 . H2' . . rr_1szy 1 795 1 . . 1 1 17 17 C H1' H . . . 1 1 17 17 C H3' H . . . . . 3.857 3.757 3.957 . . . . . A . 17 C H1' . . A . 17 C H3' . . . 17 . H1' . . . . . 17 . H3' . . rr_1szy 1 796 1 . . 1 1 17 17 C H1' H . . . 1 1 17 17 C H4' H . . . . . 3.398 3.298 3.498 . . . . . A . 17 C H1' . . A . 17 C H4' . . . 17 . H1' . . . . . 17 . H4' . . rr_1szy 1 797 1 . . 1 1 17 17 C H1' H . . . 1 1 17 17 C H5' H . . . . . 4.577 4.477 4.677 . . . . . A . 17 C H1' . . A . 17 C H5' . . . 17 . H1' . . . . . 17 . H5' . . rr_1szy 1 798 1 . . 1 1 17 17 C H1' H . . . 1 1 17 17 C HO2' H . . . . . 2.989 2.889 3.089 . . . . . A . 17 C H1' . . A . 17 C HO2' . . . 17 . H1' . . . . . 17 . HO2' . . rr_1szy 1 799 1 . . 1 1 17 17 C H1' H . . . 1 1 17 17 C H6 H . . . . . 3.521 3.421 3.621 . . . . . A . 17 C H1' . . A . 17 C H6 . . . 17 . H1' . . . . . 17 . H6 . . rr_1szy 1 800 1 . . 1 1 17 17 C H1' H . . . 1 1 18 18 U H5' H . . . . . 4.677 4.577 4.777 . . . . . A . 17 C H1' . . A . 18 U H5' . . . 17 . H1' . . . . . 18 . H5' . . rr_1szy 1 801 1 . . 1 1 17 17 C H1' H . . . 1 1 18 18 U H6 H . . . . . 4.282 4.182 4.382 . . . . . A . 17 C H1' . . A . 18 U H6 . . . 17 . H1' . . . . . 18 . H6 . . rr_1szy 1 802 1 . . 1 1 18 18 U H5 H . . . 1 1 17 17 C H1' H . . . . . 4.941 4.841 5.041 . . . . . A . 18 U H5 . . A . 17 C H1' . . . 18 . H5 . . . . . 17 . H1' . . rr_1szy 1 803 1 . . 1 1 17 17 C H2' H . . . 1 1 17 17 C H3' H . . . . . 2.425 2.325 2.525 . . . . . A . 17 C H2' . . A . 17 C H3' . . . 17 . H2' . . . . . 17 . H3' . . rr_1szy 1 804 1 . . 1 1 17 17 C H2' H . . . 1 1 17 17 C H4' H . . . . . 3.813 3.713 3.913 . . . . . A . 17 C H2' . . A . 17 C H4' . . . 17 . H2' . . . . . 17 . H4' . . rr_1szy 1 805 1 . . 1 1 17 17 C H2' H . . . 1 1 17 17 C HO2' H . . . . . 2.193 2.093 2.293 . . . . . A . 17 C H2' . . A . 17 C HO2' . . . 17 . H2' . . . . . 17 . HO2' . . rr_1szy 1 806 1 . . 1 1 17 17 C H2' H . . . 1 1 17 17 C H6 H . . . . . 4.000 3.900 4.100 . . . . . A . 17 C H2' . . A . 17 C H6 . . . 17 . H2' . . . . . 17 . H6 . . rr_1szy 1 807 1 . . 1 1 18 18 U H1' H . . . 1 1 17 17 C H2' H . . . . . 4.192 4.092 4.292 . . . . . A . 18 U H1' . . A . 17 C H2' . . . 18 . H1' . . . . . 17 . H2' . . rr_1szy 1 808 1 . . 1 1 17 17 C H2' H . . . 1 1 18 18 U H3' H . . . . . 4.263 4.163 4.363 . . . . . A . 17 C H2' . . A . 18 U H3' . . . 17 . H2' . . . . . 18 . H3' . . rr_1szy 1 809 1 . . 1 1 17 17 C H2' H . . . 1 1 18 18 U H4' H . . . . . 4.441 4.341 4.541 . . . . . A . 17 C H2' . . A . 18 U H4' . . . 17 . H2' . . . . . 18 . H4' . . rr_1szy 1 810 1 . . 1 1 17 17 C H2' H . . . 1 1 18 18 U H5' H . . . . . 2.891 2.791 2.991 . . . . . A . 17 C H2' . . A . 18 U H5' . . . 17 . H2' . . . . . 18 . H5' . . rr_1szy 1 811 1 . . 1 1 17 17 C H2' H . . . 1 1 18 18 U H5'' H . . . . . 4.268 4.168 4.368 . . . . . A . 17 C H2' . . A . 18 U H5'' . . . 17 . H2' . . . . . 18 . H5'' . . rr_1szy 1 812 1 . . 1 1 17 17 C H2' H . . . 1 1 18 18 U H6 H . . . . . 1.566 1.466 1.666 . . . . . A . 17 C H2' . . A . 18 U H6 . . . 17 . H2' . . . . . 18 . H6 . . rr_1szy 1 813 1 . . 1 1 18 18 U H5 H . . . 1 1 17 17 C H2' H . . . . . 3.030 2.930 3.130 . . . . . A . 18 U H5 . . A . 17 C H2' . . . 18 . H5 . . . . . 17 . H2' . . rr_1szy 1 814 1 . . 1 1 17 17 C H3' H . . . 1 1 17 17 C H4' H . . . . . 3.007 2.907 3.107 . . . . . A . 17 C H3' . . A . 17 C H4' . . . 17 . H3' . . . . . 17 . H4' . . rr_1szy 1 815 1 . . 1 1 17 17 C H5' H . . . 1 1 17 17 C H3' H . . . . . 3.686 3.586 3.786 . . . . . A . 17 C H5' . . A . 17 C H3' . . . 17 . H5' . . . . . 17 . H3' . . rr_1szy 1 816 1 . . 1 1 17 17 C H3' H . . . 1 1 17 17 C H5'' H . . . . . 3.085 2.985 3.185 . . . . . A . 17 C H3' . . A . 17 C H5'' . . . 17 . H3' . . . . . 17 . H5'' . . rr_1szy 1 817 1 . . 1 1 17 17 C H3' H . . . 1 1 17 17 C HO2' H . . . . . 3.993 3.893 4.093 . . . . . A . 17 C H3' . . A . 17 C HO2' . . . 17 . H3' . . . . . 17 . HO2' . . rr_1szy 1 818 1 . . 1 1 17 17 C H6 H . . . 1 1 17 17 C H3' H . . . . . 2.989 2.889 3.089 . . . . . A . 17 C H6 . . A . 17 C H3' . . . 17 . H6 . . . . . 17 . H3' . . rr_1szy 1 819 1 . . 1 1 17 17 C H5 H . . . 1 1 17 17 C H3' H . . . . . 4.769 4.669 4.869 . . . . . A . 17 C H5 . . A . 17 C H3' . . . 17 . H5 . . . . . 17 . H3' . . rr_1szy 1 820 1 . . 1 1 17 17 C H3' H . . . 1 1 18 18 U H5' H . . . . . 3.958 3.858 4.058 . . . . . A . 17 C H3' . . A . 18 U H5' . . . 17 . H3' . . . . . 18 . H5' . . rr_1szy 1 821 1 . . 1 1 17 17 C H3' H . . . 1 1 18 18 U H5'' H . . . . . 4.907 4.807 5.007 . . . . . A . 17 C H3' . . A . 18 U H5'' . . . 17 . H3' . . . . . 18 . H5'' . . rr_1szy 1 822 1 . . 1 1 18 18 U H6 H . . . 1 1 17 17 C H3' H . . . . . 3.100 3.000 3.200 . . . . . A . 18 U H6 . . A . 17 C H3' . . . 18 . H6 . . . . . 17 . H3' . . rr_1szy 1 823 1 . . 1 1 18 18 U H5 H . . . 1 1 17 17 C H3' H . . . . . 3.248 3.148 3.348 . . . . . A . 18 U H5 . . A . 17 C H3' . . . 18 . H5 . . . . . 17 . H3' . . rr_1szy 1 824 1 . . 1 1 17 17 C H5' H . . . 1 1 17 17 C H4' H . . . . . 2.534 2.434 2.634 . . . . . A . 17 C H5' . . A . 17 C H4' . . . 17 . H5' . . . . . 17 . H4' . . rr_1szy 1 825 1 . . 1 1 17 17 C H4' H . . . 1 1 17 17 C H5'' H . . . . . 2.370 2.270 2.470 . . . . . A . 17 C H4' . . A . 17 C H5'' . . . 17 . H4' . . . . . 17 . H5'' . . rr_1szy 1 826 1 . . 1 1 17 17 C H4' H . . . 1 1 17 17 C HO2' H . . . . . 3.778 3.678 3.878 . . . . . A . 17 C H4' . . A . 17 C HO2' . . . 17 . H4' . . . . . 17 . HO2' . . rr_1szy 1 827 1 . . 1 1 17 17 C H6 H . . . 1 1 17 17 C H4' H . . . . . 4.053 3.953 4.153 . . . . . A . 17 C H6 . . A . 17 C H4' . . . 17 . H6 . . . . . 17 . H4' . . rr_1szy 1 828 1 . . 1 1 17 17 C H4' H . . . 1 1 18 18 U H5' H . . . . . 4.167 4.067 4.267 . . . . . A . 17 C H4' . . A . 18 U H5' . . . 17 . H4' . . . . . 18 . H5' . . rr_1szy 1 829 1 . . 1 1 17 17 C H5' H . . . 1 1 17 17 C H5'' H . . . . . 1.776 1.676 1.876 . . . . . A . 17 C H5' . . A . 17 C H5'' . . . 17 . H5' . . . . . 17 . H5'' . . rr_1szy 1 830 1 . . 1 1 17 17 C H6 H . . . 1 1 17 17 C H5' H . . . . . 3.241 3.141 3.341 . . . . . A . 17 C H6 . . A . 17 C H5' . . . 17 . H6 . . . . . 17 . H5' . . rr_1szy 1 831 1 . . 1 1 17 17 C H6 H . . . 1 1 17 17 C H5'' H . . . . . 4.056 3.956 4.156 . . . . . A . 17 C H6 . . A . 17 C H5'' . . . 17 . H6 . . . . . 17 . H5'' . . rr_1szy 1 832 1 . . 1 1 18 18 U H1' H . . . 1 1 17 17 C HO2' H . . . . . 4.151 4.051 4.251 . . . . . A . 18 U H1' . . A . 17 C HO2' . . . 18 . H1' . . . . . 17 . HO2' . . rr_1szy 1 833 1 . . 1 1 17 17 C HO2' H . . . 1 1 18 18 U H3' H . . . . . 4.845 4.745 4.945 . . . . . A . 17 C HO2' . . A . 18 U H3' . . . 17 . HO2' . . . . . 18 . H3' . . rr_1szy 1 834 1 . . 1 1 17 17 C HO2' H . . . 1 1 18 18 U H4' H . . . . . 3.521 3.421 3.621 . . . . . A . 17 C HO2' . . A . 18 U H4' . . . 17 . HO2' . . . . . 18 . H4' . . rr_1szy 1 835 1 . . 1 1 17 17 C HO2' H . . . 1 1 18 18 U H5' H . . . . . 1.994 1.894 2.094 . . . . . A . 17 C HO2' . . A . 18 U H5' . . . 17 . HO2' . . . . . 18 . H5' . . rr_1szy 1 836 1 . . 1 1 17 17 C HO2' H . . . 1 1 18 18 U H5'' H . . . . . 3.738 3.638 3.838 . . . . . A . 17 C HO2' . . A . 18 U H5'' . . . 17 . HO2' . . . . . 18 . H5'' . . rr_1szy 1 837 1 . . 1 1 18 18 U H6 H . . . 1 1 17 17 C HO2' H . . . . . 3.200 3.100 3.300 . . . . . A . 18 U H6 . . A . 17 C HO2' . . . 18 . H6 . . . . . 17 . HO2' . . rr_1szy 1 838 1 . . 1 1 17 17 C H41 H . . . 1 1 17 17 C H42 H . . . . . 1.784 1.684 1.884 . . . . . A . 17 C H41 . . A . 17 C H42 . . . 17 . H41 . . . . . 17 . H42 . . rr_1szy 1 839 1 . . 1 1 17 17 C H41 H . . . 1 1 17 17 C H6 H . . . . . 4.650 4.550 4.750 . . . . . A . 17 C H41 . . A . 17 C H6 . . . 17 . H41 . . . . . 17 . H6 . . rr_1szy 1 840 1 . . 1 1 17 17 C H41 H . . . 1 1 17 17 C H5 H . . . . . 2.425 2.325 2.525 . . . . . A . 17 C H41 . . A . 17 C H5 . . . 17 . H41 . . . . . 17 . H5 . . rr_1szy 1 841 1 . . 1 1 17 17 C H41 H . . . 1 1 18 18 U H5 H . . . . . 4.531 4.431 4.631 . . . . . A . 17 C H41 . . A . 18 U H5 . . . 17 . H41 . . . . . 18 . H5 . . rr_1szy 1 842 1 . . 1 1 17 17 C H42 H . . . 1 1 17 17 C H5 H . . . . . 3.708 3.608 3.808 . . . . . A . 17 C H42 . . A . 17 C H5 . . . 17 . H42 . . . . . 17 . H5 . . rr_1szy 1 843 1 . . 1 1 17 17 C H42 H . . . 1 1 18 18 U H3 H . . . . . 4.568 4.468 4.668 . . . . . A . 17 C H42 . . A . 18 U H3 . . . 17 . H42 . . . . . 18 . H3 . . rr_1szy 1 844 1 . . 1 1 17 17 C H42 H . . . 1 1 18 18 U H5 H . . . . . 4.454 4.354 4.554 . . . . . A . 17 C H42 . . A . 18 U H5 . . . 17 . H42 . . . . . 18 . H5 . . rr_1szy 1 845 1 . . 1 1 17 17 C H6 H . . . 1 1 17 17 C H5 H . . . . . 2.456 2.356 2.556 . . . . . A . 17 C H6 . . A . 17 C H5 . . . 17 . H6 . . . . . 17 . H5 . . rr_1szy 1 846 1 . . 1 1 18 18 U H6 H . . . 1 1 17 17 C H6 H . . . . . 4.950 4.850 5.050 . . . . . A . 18 U H6 . . A . 17 C H6 . . . 18 . H6 . . . . . 17 . H6 . . rr_1szy 1 847 1 . . 1 1 18 18 U H5 H . . . 1 1 17 17 C H6 H . . . . . 3.980 3.880 4.080 . . . . . A . 18 U H5 . . A . 17 C H6 . . . 18 . H5 . . . . . 17 . H6 . . rr_1szy 1 848 1 . . 1 1 18 18 U H5 H . . . 1 1 17 17 C H5 H . . . . . 4.017 3.917 4.117 . . . . . A . 18 U H5 . . A . 17 C H5 . . . 18 . H5 . . . . . 17 . H5 . . rr_1szy 1 849 1 . . 1 1 18 18 U H1' H . . . 1 1 18 18 U H2' H . . . . . 2.805 2.705 2.905 . . . . . A . 18 U H1' . . A . 18 U H2' . . . 18 . H1' . . . . . 18 . H2' . . rr_1szy 1 850 1 . . 1 1 18 18 U H1' H . . . 1 1 18 18 U H3' H . . . . . 3.857 3.757 3.957 . . . . . A . 18 U H1' . . A . 18 U H3' . . . 18 . H1' . . . . . 18 . H3' . . rr_1szy 1 851 1 . . 1 1 18 18 U H1' H . . . 1 1 18 18 U H4' H . . . . . 3.397 3.297 3.497 . . . . . A . 18 U H1' . . A . 18 U H4' . . . 18 . H1' . . . . . 18 . H4' . . rr_1szy 1 852 1 . . 1 1 18 18 U H1' H . . . 1 1 18 18 U H5' H . . . . . 4.576 4.476 4.676 . . . . . A . 18 U H1' . . A . 18 U H5' . . . 18 . H1' . . . . . 18 . H5' . . rr_1szy 1 853 1 . . 1 1 18 18 U H1' H . . . 1 1 18 18 U HO2' H . . . . . 2.990 2.890 3.090 . . . . . A . 18 U H1' . . A . 18 U HO2' . . . 18 . H1' . . . . . 18 . HO2' . . rr_1szy 1 854 1 . . 1 1 18 18 U H3 H . . . 1 1 18 18 U H1' H . . . . . 4.622 4.522 4.722 . . . . . A . 18 U H3 . . A . 18 U H1' . . . 18 . H3 . . . . . 18 . H1' . . rr_1szy 1 855 1 . . 1 1 18 18 U H1' H . . . 1 1 18 18 U H6 H . . . . . 3.514 3.414 3.614 . . . . . A . 18 U H1' . . A . 18 U H6 . . . 18 . H1' . . . . . 18 . H6 . . rr_1szy 1 856 1 . . 1 1 18 18 U H1' H . . . 1 1 19 19 G H5' H . . . . . 4.677 4.577 4.777 . . . . . A . 18 U H1' . . A . 19 G H5' . . . 18 . H1' . . . . . 19 . H5' . . rr_1szy 1 857 1 . . 1 1 18 18 U H1' H . . . 1 1 19 19 G H8 H . . . . . 4.320 4.220 4.420 . . . . . A . 18 U H1' . . A . 19 G H8 . . . 18 . H1' . . . . . 19 . H8 . . rr_1szy 1 858 1 . . 1 1 18 18 U H3' H . . . 1 1 18 18 U H2' H . . . . . 2.425 2.325 2.525 . . . . . A . 18 U H3' . . A . 18 U H2' . . . 18 . H3' . . . . . 18 . H2' . . rr_1szy 1 859 1 . . 1 1 18 18 U H4' H . . . 1 1 18 18 U H2' H . . . . . 3.813 3.713 3.913 . . . . . A . 18 U H4' . . A . 18 U H2' . . . 18 . H4' . . . . . 18 . H2' . . rr_1szy 1 860 1 . . 1 1 18 18 U H2' H . . . 1 1 18 18 U HO2' H . . . . . 2.193 2.093 2.293 . . . . . A . 18 U H2' . . A . 18 U HO2' . . . 18 . H2' . . . . . 18 . HO2' . . rr_1szy 1 861 1 . . 1 1 18 18 U H3 H . . . 1 1 18 18 U H2' H . . . . . 4.540 4.440 4.640 . . . . . A . 18 U H3 . . A . 18 U H2' . . . 18 . H3 . . . . . 18 . H2' . . rr_1szy 1 862 1 . . 1 1 18 18 U H6 H . . . 1 1 18 18 U H2' H . . . . . 4.005 3.905 4.105 . . . . . A . 18 U H6 . . A . 18 U H2' . . . 18 . H6 . . . . . 18 . H2' . . rr_1szy 1 863 1 . . 1 1 19 19 G H1' H . . . 1 1 18 18 U H2' H . . . . . 4.192 4.092 4.292 . . . . . A . 19 G H1' . . A . 18 U H2' . . . 19 . H1' . . . . . 18 . H2' . . rr_1szy 1 864 1 . . 1 1 18 18 U H2' H . . . 1 1 19 19 G H3' H . . . . . 4.263 4.163 4.363 . . . . . A . 18 U H2' . . A . 19 G H3' . . . 18 . H2' . . . . . 19 . H3' . . rr_1szy 1 865 1 . . 1 1 18 18 U H2' H . . . 1 1 19 19 G H4' H . . . . . 4.442 4.342 4.542 . . . . . A . 18 U H2' . . A . 19 G H4' . . . 18 . H2' . . . . . 19 . H4' . . rr_1szy 1 866 1 . . 1 1 18 18 U H2' H . . . 1 1 19 19 G H5' H . . . . . 2.891 2.791 2.991 . . . . . A . 18 U H2' . . A . 19 G H5' . . . 18 . H2' . . . . . 19 . H5' . . rr_1szy 1 867 1 . . 1 1 18 18 U H2' H . . . 1 1 19 19 G H5'' H . . . . . 4.268 4.168 4.368 . . . . . A . 18 U H2' . . A . 19 G H5'' . . . 18 . H2' . . . . . 19 . H5'' . . rr_1szy 1 868 1 . . 1 1 18 18 U H2' H . . . 1 1 19 19 G H8 H . . . . . 1.673 1.573 1.773 . . . . . A . 18 U H2' . . A . 19 G H8 . . . 18 . H2' . . . . . 19 . H8 . . rr_1szy 1 869 1 . . 1 1 18 18 U H3' H . . . 1 1 18 18 U H4' H . . . . . 3.007 2.907 3.107 . . . . . A . 18 U H3' . . A . 18 U H4' . . . 18 . H3' . . . . . 18 . H4' . . rr_1szy 1 870 1 . . 1 1 18 18 U H5' H . . . 1 1 18 18 U H3' H . . . . . 3.686 3.586 3.786 . . . . . A . 18 U H5' . . A . 18 U H3' . . . 18 . H5' . . . . . 18 . H3' . . rr_1szy 1 871 1 . . 1 1 18 18 U H3' H . . . 1 1 18 18 U H5'' H . . . . . 3.085 2.985 3.185 . . . . . A . 18 U H3' . . A . 18 U H5'' . . . 18 . H3' . . . . . 18 . H5'' . . rr_1szy 1 872 1 . . 1 1 18 18 U H3' H . . . 1 1 18 18 U HO2' H . . . . . 3.993 3.893 4.093 . . . . . A . 18 U H3' . . A . 18 U HO2' . . . 18 . H3' . . . . . 18 . HO2' . . rr_1szy 1 873 1 . . 1 1 18 18 U H6 H . . . 1 1 18 18 U H3' H . . . . . 2.992 2.892 3.092 . . . . . A . 18 U H6 . . A . 18 U H3' . . . 18 . H6 . . . . . 18 . H3' . . rr_1szy 1 874 1 . . 1 1 18 18 U H5 H . . . 1 1 18 18 U H3' H . . . . . 4.723 4.623 4.823 . . . . . A . 18 U H5 . . A . 18 U H3' . . . 18 . H5 . . . . . 18 . H3' . . rr_1szy 1 875 1 . . 1 1 18 18 U H3' H . . . 1 1 19 19 G H5' H . . . . . 3.958 3.858 4.058 . . . . . A . 18 U H3' . . A . 19 G H5' . . . 18 . H3' . . . . . 19 . H5' . . rr_1szy 1 876 1 . . 1 1 18 18 U H3' H . . . 1 1 19 19 G H5'' H . . . . . 4.908 4.808 5.008 . . . . . A . 18 U H3' . . A . 19 G H5'' . . . 18 . H3' . . . . . 19 . H5'' . . rr_1szy 1 877 1 . . 1 1 18 18 U H3' H . . . 1 1 19 19 G H8 H . . . . . 3.024 2.924 3.124 . . . . . A . 18 U H3' . . A . 19 G H8 . . . 18 . H3' . . . . . 19 . H8 . . rr_1szy 1 878 1 . . 1 1 18 18 U H5' H . . . 1 1 18 18 U H4' H . . . . . 2.533 2.433 2.633 . . . . . A . 18 U H5' . . A . 18 U H4' . . . 18 . H5' . . . . . 18 . H4' . . rr_1szy 1 879 1 . . 1 1 18 18 U H4' H . . . 1 1 18 18 U H5'' H . . . . . 2.370 2.270 2.470 . . . . . A . 18 U H4' . . A . 18 U H5'' . . . 18 . H4' . . . . . 18 . H5'' . . rr_1szy 1 880 1 . . 1 1 18 18 U H4' H . . . 1 1 18 18 U HO2' H . . . . . 3.778 3.678 3.878 . . . . . A . 18 U H4' . . A . 18 U HO2' . . . 18 . H4' . . . . . 18 . HO2' . . rr_1szy 1 881 1 . . 1 1 18 18 U H6 H . . . 1 1 18 18 U H4' H . . . . . 4.039 3.939 4.139 . . . . . A . 18 U H6 . . A . 18 U H4' . . . 18 . H6 . . . . . 18 . H4' . . rr_1szy 1 882 1 . . 1 1 18 18 U H4' H . . . 1 1 19 19 G H5' H . . . . . 4.167 4.067 4.267 . . . . . A . 18 U H4' . . A . 19 G H5' . . . 18 . H4' . . . . . 19 . H5' . . rr_1szy 1 883 1 . . 1 1 18 18 U H5' H . . . 1 1 18 18 U H5'' H . . . . . 1.776 1.676 1.876 . . . . . A . 18 U H5' . . A . 18 U H5'' . . . 18 . H5' . . . . . 18 . H5'' . . rr_1szy 1 884 1 . . 1 1 18 18 U H6 H . . . 1 1 18 18 U H5' H . . . . . 3.223 3.123 3.323 . . . . . A . 18 U H6 . . A . 18 U H5' . . . 18 . H6 . . . . . 18 . H5' . . rr_1szy 1 885 1 . . 1 1 18 18 U H6 H . . . 1 1 18 18 U H5'' H . . . . . 4.044 3.944 4.144 . . . . . A . 18 U H6 . . A . 18 U H5'' . . . 18 . H6 . . . . . 18 . H5'' . . rr_1szy 1 886 1 . . 1 1 19 19 G H1' H . . . 1 1 18 18 U HO2' H . . . . . 4.151 4.051 4.251 . . . . . A . 19 G H1' . . A . 18 U HO2' . . . 19 . H1' . . . . . 18 . HO2' . . rr_1szy 1 887 1 . . 1 1 18 18 U HO2' H . . . 1 1 19 19 G H3' H . . . . . 4.845 4.745 4.945 . . . . . A . 18 U HO2' . . A . 19 G H3' . . . 18 . HO2' . . . . . 19 . H3' . . rr_1szy 1 888 1 . . 1 1 18 18 U HO2' H . . . 1 1 19 19 G H4' H . . . . . 3.521 3.421 3.621 . . . . . A . 18 U HO2' . . A . 19 G H4' . . . 18 . HO2' . . . . . 19 . H4' . . rr_1szy 1 889 1 . . 1 1 18 18 U HO2' H . . . 1 1 19 19 G H5' H . . . . . 1.995 1.895 2.095 . . . . . A . 18 U HO2' . . A . 19 G H5' . . . 18 . HO2' . . . . . 19 . H5' . . rr_1szy 1 890 1 . . 1 1 18 18 U HO2' H . . . 1 1 19 19 G H5'' H . . . . . 3.738 3.638 3.838 . . . . . A . 18 U HO2' . . A . 19 G H5'' . . . 18 . HO2' . . . . . 19 . H5'' . . rr_1szy 1 891 1 . . 1 1 18 18 U HO2' H . . . 1 1 19 19 G H8 H . . . . . 3.488 3.388 3.588 . . . . . A . 18 U HO2' . . A . 19 G H8 . . . 18 . HO2' . . . . . 19 . H8 . . rr_1szy 1 892 1 . . 1 1 18 18 U H3 H . . . 1 1 18 18 U H6 H . . . . . 4.817 4.717 4.917 . . . . . A . 18 U H3 . . A . 18 U H6 . . . 18 . H3 . . . . . 18 . H6 . . rr_1szy 1 893 1 . . 1 1 18 18 U H3 H . . . 1 1 18 18 U H5 H . . . . . 4.231 4.131 4.331 . . . . . A . 18 U H3 . . A . 18 U H5 . . . 18 . H3 . . . . . 18 . H5 . . rr_1szy 1 894 1 . . 1 1 18 18 U H3 H . . . 1 1 19 19 G H8 H . . . . . 4.402 4.302 4.502 . . . . . A . 18 U H3 . . A . 19 G H8 . . . 18 . H3 . . . . . 19 . H8 . . rr_1szy 1 895 1 . . 1 1 18 18 U H5 H . . . 1 1 18 18 U H6 H . . . . . 2.416 2.316 2.516 . . . . . A . 18 U H5 . . A . 18 U H6 . . . 18 . H5 . . . . . 18 . H6 . . rr_1szy 1 896 1 . . 1 1 18 18 U H6 H . . . 1 1 19 19 G H8 H . . . . . 4.761 4.661 4.861 . . . . . A . 18 U H6 . . A . 19 G H8 . . . 18 . H6 . . . . . 19 . H8 . . rr_1szy 1 897 1 . . 1 1 19 19 G H1' H . . . 1 1 19 19 G H2' H . . . . . 2.805 2.705 2.905 . . . . . A . 19 G H1' . . A . 19 G H2' . . . 19 . H1' . . . . . 19 . H2' . . rr_1szy 1 898 1 . . 1 1 19 19 G H1' H . . . 1 1 19 19 G H3' H . . . . . 3.857 3.757 3.957 . . . . . A . 19 G H1' . . A . 19 G H3' . . . 19 . H1' . . . . . 19 . H3' . . rr_1szy 1 899 1 . . 1 1 19 19 G H1' H . . . 1 1 19 19 G H4' H . . . . . 3.398 3.298 3.498 . . . . . A . 19 G H1' . . A . 19 G H4' . . . 19 . H1' . . . . . 19 . H4' . . rr_1szy 1 900 1 . . 1 1 19 19 G H1' H . . . 1 1 19 19 G H5' H . . . . . 4.577 4.477 4.677 . . . . . A . 19 G H1' . . A . 19 G H5' . . . 19 . H1' . . . . . 19 . H5' . . rr_1szy 1 901 1 . . 1 1 19 19 G H1' H . . . 1 1 19 19 G HO2' H . . . . . 2.990 2.890 3.090 . . . . . A . 19 G H1' . . A . 19 G HO2' . . . 19 . H1' . . . . . 19 . HO2' . . rr_1szy 1 902 1 . . 1 1 19 19 G H21 H . . . 1 1 19 19 G H1' H . . . . . 4.775 4.675 4.875 . . . . . A . 19 G H21 . . A . 19 G H1' . . . 19 . H21 . . . . . 19 . H1' . . rr_1szy 1 903 1 . . 1 1 19 19 G H1' H . . . 1 1 19 19 G H8 H . . . . . 3.727 3.627 3.827 . . . . . A . 19 G H1' . . A . 19 G H8 . . . 19 . H1' . . . . . 19 . H8 . . rr_1szy 1 904 1 . . 1 1 19 19 G H1' H . . . 1 1 20 20 C H5' H . . . . . 4.678 4.578 4.778 . . . . . A . 19 G H1' . . A . 20 C H5' . . . 19 . H1' . . . . . 20 . H5' . . rr_1szy 1 905 1 . . 1 1 19 19 G H1' H . . . 1 1 20 20 C H6 H . . . . . 4.297 4.197 4.397 . . . . . A . 19 G H1' . . A . 20 C H6 . . . 19 . H1' . . . . . 20 . H6 . . rr_1szy 1 906 1 . . 1 1 19 19 G H1' H . . . 1 1 20 20 C H5 H . . . . . 4.979 4.879 5.079 . . . . . A . 19 G H1' . . A . 20 C H5 . . . 19 . H1' . . . . . 20 . H5 . . rr_1szy 1 907 1 . . 1 1 19 19 G H3' H . . . 1 1 19 19 G H2' H . . . . . 2.425 2.325 2.525 . . . . . A . 19 G H3' . . A . 19 G H2' . . . 19 . H3' . . . . . 19 . H2' . . rr_1szy 1 908 1 . . 1 1 19 19 G H4' H . . . 1 1 19 19 G H2' H . . . . . 3.813 3.713 3.913 . . . . . A . 19 G H4' . . A . 19 G H2' . . . 19 . H4' . . . . . 19 . H2' . . rr_1szy 1 909 1 . . 1 1 19 19 G H2' H . . . 1 1 19 19 G HO2' H . . . . . 2.193 2.093 2.293 . . . . . A . 19 G H2' . . A . 19 G HO2' . . . 19 . H2' . . . . . 19 . HO2' . . rr_1szy 1 910 1 . . 1 1 19 19 G H21 H . . . 1 1 19 19 G H2' H . . . . . 4.702 4.602 4.802 . . . . . A . 19 G H21 . . A . 19 G H2' . . . 19 . H21 . . . . . 19 . H2' . . rr_1szy 1 911 1 . . 1 1 19 19 G H8 H . . . 1 1 19 19 G H2' H . . . . . 4.149 4.049 4.249 . . . . . A . 19 G H8 . . A . 19 G H2' . . . 19 . H8 . . . . . 19 . H2' . . rr_1szy 1 912 1 . . 1 1 20 20 C H1' H . . . 1 1 19 19 G H2' H . . . . . 4.193 4.093 4.293 . . . . . A . 20 C H1' . . A . 19 G H2' . . . 20 . H1' . . . . . 19 . H2' . . rr_1szy 1 913 1 . . 1 1 19 19 G H2' H . . . 1 1 20 20 C H3' H . . . . . 4.263 4.163 4.363 . . . . . A . 19 G H2' . . A . 20 C H3' . . . 19 . H2' . . . . . 20 . H3' . . rr_1szy 1 914 1 . . 1 1 19 19 G H2' H . . . 1 1 20 20 C H4' H . . . . . 4.441 4.341 4.541 . . . . . A . 19 G H2' . . A . 20 C H4' . . . 19 . H2' . . . . . 20 . H4' . . rr_1szy 1 915 1 . . 1 1 19 19 G H2' H . . . 1 1 20 20 C H5' H . . . . . 2.892 2.792 2.992 . . . . . A . 19 G H2' . . A . 20 C H5' . . . 19 . H2' . . . . . 20 . H5' . . rr_1szy 1 916 1 . . 1 1 19 19 G H2' H . . . 1 1 20 20 C H5'' H . . . . . 4.268 4.168 4.368 . . . . . A . 19 G H2' . . A . 20 C H5'' . . . 19 . H2' . . . . . 20 . H5'' . . rr_1szy 1 917 1 . . 1 1 19 19 G H2' H . . . 1 1 20 20 C H6 H . . . . . 1.583 1.483 1.683 . . . . . A . 19 G H2' . . A . 20 C H6 . . . 19 . H2' . . . . . 20 . H6 . . rr_1szy 1 918 1 . . 1 1 19 19 G H2' H . . . 1 1 20 20 C H5 H . . . . . 3.089 2.989 3.189 . . . . . A . 19 G H2' . . A . 20 C H5 . . . 19 . H2' . . . . . 20 . H5 . . rr_1szy 1 919 1 . . 1 1 19 19 G H3' H . . . 1 1 19 19 G H4' H . . . . . 3.008 2.908 3.108 . . . . . A . 19 G H3' . . A . 19 G H4' . . . 19 . H3' . . . . . 19 . H4' . . rr_1szy 1 920 1 . . 1 1 19 19 G H5' H . . . 1 1 19 19 G H3' H . . . . . 3.686 3.586 3.786 . . . . . A . 19 G H5' . . A . 19 G H3' . . . 19 . H5' . . . . . 19 . H3' . . rr_1szy 1 921 1 . . 1 1 19 19 G H3' H . . . 1 1 19 19 G H5'' H . . . . . 3.085 2.985 3.185 . . . . . A . 19 G H3' . . A . 19 G H5'' . . . 19 . H3' . . . . . 19 . H5'' . . rr_1szy 1 922 1 . . 1 1 19 19 G H3' H . . . 1 1 19 19 G HO2' H . . . . . 3.994 3.894 4.094 . . . . . A . 19 G H3' . . A . 19 G HO2' . . . 19 . H3' . . . . . 19 . HO2' . . rr_1szy 1 923 1 . . 1 1 19 19 G H8 H . . . 1 1 19 19 G H3' H . . . . . 3.196 3.096 3.296 . . . . . A . 19 G H8 . . A . 19 G H3' . . . 19 . H8 . . . . . 19 . H3' . . rr_1szy 1 924 1 . . 1 1 19 19 G H3' H . . . 1 1 20 20 C H5' H . . . . . 3.959 3.859 4.059 . . . . . A . 19 G H3' . . A . 20 C H5' . . . 19 . H3' . . . . . 20 . H5' . . rr_1szy 1 925 1 . . 1 1 19 19 G H3' H . . . 1 1 20 20 C H5'' H . . . . . 4.908 4.808 5.008 . . . . . A . 19 G H3' . . A . 20 C H5'' . . . 19 . H3' . . . . . 20 . H5'' . . rr_1szy 1 926 1 . . 1 1 19 19 G H3' H . . . 1 1 20 20 C H6 H . . . . . 3.104 3.004 3.204 . . . . . A . 19 G H3' . . A . 20 C H6 . . . 19 . H3' . . . . . 20 . H6 . . rr_1szy 1 927 1 . . 1 1 19 19 G H3' H . . . 1 1 20 20 C H5 H . . . . . 3.313 3.213 3.413 . . . . . A . 19 G H3' . . A . 20 C H5 . . . 19 . H3' . . . . . 20 . H5 . . rr_1szy 1 928 1 . . 1 1 19 19 G H5' H . . . 1 1 19 19 G H4' H . . . . . 2.534 2.434 2.634 . . . . . A . 19 G H5' . . A . 19 G H4' . . . 19 . H5' . . . . . 19 . H4' . . rr_1szy 1 929 1 . . 1 1 19 19 G H4' H . . . 1 1 19 19 G H5'' H . . . . . 2.370 2.270 2.470 . . . . . A . 19 G H4' . . A . 19 G H5'' . . . 19 . H4' . . . . . 19 . H5'' . . rr_1szy 1 930 1 . . 1 1 19 19 G H4' H . . . 1 1 19 19 G HO2' H . . . . . 3.779 3.679 3.879 . . . . . A . 19 G H4' . . A . 19 G HO2' . . . 19 . H4' . . . . . 19 . HO2' . . rr_1szy 1 931 1 . . 1 1 19 19 G H8 H . . . 1 1 19 19 G H4' H . . . . . 4.410 4.310 4.510 . . . . . A . 19 G H8 . . A . 19 G H4' . . . 19 . H8 . . . . . 19 . H4' . . rr_1szy 1 932 1 . . 1 1 19 19 G H4' H . . . 1 1 20 20 C H5' H . . . . . 4.167 4.067 4.267 . . . . . A . 19 G H4' . . A . 20 C H5' . . . 19 . H4' . . . . . 20 . H5' . . rr_1szy 1 933 1 . . 1 1 19 19 G H5' H . . . 1 1 19 19 G H5'' H . . . . . 1.775 1.675 1.875 . . . . . A . 19 G H5' . . A . 19 G H5'' . . . 19 . H5' . . . . . 19 . H5'' . . rr_1szy 1 934 1 . . 1 1 19 19 G H5' H . . . 1 1 19 19 G H8 H . . . . . 3.564 3.464 3.664 . . . . . A . 19 G H5' . . A . 19 G H8 . . . 19 . H5' . . . . . 19 . H8 . . rr_1szy 1 935 1 . . 1 1 19 19 G H8 H . . . 1 1 19 19 G H5'' H . . . . . 4.368 4.268 4.468 . . . . . A . 19 G H8 . . A . 19 G H5'' . . . 19 . H8 . . . . . 19 . H5'' . . rr_1szy 1 936 1 . . 1 1 19 19 G H21 H . . . 1 1 19 19 G HO2' H . . . . . 4.795 4.695 4.895 . . . . . A . 19 G H21 . . A . 19 G HO2' . . . 19 . H21 . . . . . 19 . HO2' . . rr_1szy 1 937 1 . . 1 1 20 20 C H1' H . . . 1 1 19 19 G HO2' H . . . . . 4.150 4.050 4.250 . . . . . A . 20 C H1' . . A . 19 G HO2' . . . 20 . H1' . . . . . 19 . HO2' . . rr_1szy 1 938 1 . . 1 1 19 19 G HO2' H . . . 1 1 20 20 C H3' H . . . . . 4.844 4.744 4.944 . . . . . A . 19 G HO2' . . A . 20 C H3' . . . 19 . HO2' . . . . . 20 . H3' . . rr_1szy 1 939 1 . . 1 1 19 19 G HO2' H . . . 1 1 20 20 C H4' H . . . . . 3.521 3.421 3.621 . . . . . A . 19 G HO2' . . A . 20 C H4' . . . 19 . HO2' . . . . . 20 . H4' . . rr_1szy 1 940 1 . . 1 1 19 19 G HO2' H . . . 1 1 20 20 C H5' H . . . . . 1.995 1.895 2.095 . . . . . A . 19 G HO2' . . A . 20 C H5' . . . 19 . HO2' . . . . . 20 . H5' . . rr_1szy 1 941 1 . . 1 1 19 19 G HO2' H . . . 1 1 20 20 C H5'' H . . . . . 3.738 3.638 3.838 . . . . . A . 19 G HO2' . . A . 20 C H5'' . . . 19 . HO2' . . . . . 20 . H5'' . . rr_1szy 1 942 1 . . 1 1 19 19 G HO2' H . . . 1 1 20 20 C H6 H . . . . . 3.221 3.121 3.321 . . . . . A . 19 G HO2' . . A . 20 C H6 . . . 19 . HO2' . . . . . 20 . H6 . . rr_1szy 1 943 1 . . 1 1 19 19 G H22 H . . . 1 1 19 19 G H21 H . . . . . 1.784 1.684 1.884 . . . . . A . 19 G H22 . . A . 19 G H21 . . . 19 . H22 . . . . . 19 . H21 . . rr_1szy 1 944 1 . . 1 1 19 19 G H21 H . . . 1 1 19 19 G H1 H . . . . . 3.480 3.380 3.580 . . . . . A . 19 G H21 . . A . 19 G H1 . . . 19 . H21 . . . . . 19 . H1 . . rr_1szy 1 945 1 . . 1 1 19 19 G H21 H . . . 1 1 20 20 C H1' H . . . . . 3.255 3.155 3.355 . . . . . A . 19 G H21 . . A . 20 C H1' . . . 19 . H21 . . . . . 20 . H1' . . rr_1szy 1 946 1 . . 1 1 19 19 G H21 H . . . 1 1 20 20 C H6 H . . . . . 4.826 4.726 4.926 . . . . . A . 19 G H21 . . A . 20 C H6 . . . 19 . H21 . . . . . 20 . H6 . . rr_1szy 1 947 1 . . 1 1 19 19 G H22 H . . . 1 1 19 19 G H1 H . . . . . 2.169 2.069 2.269 . . . . . A . 19 G H22 . . A . 19 G H1 . . . 19 . H22 . . . . . 19 . H1 . . rr_1szy 1 948 1 . . 1 1 19 19 G H22 H . . . 1 1 20 20 C H1' H . . . . . 4.205 4.105 4.305 . . . . . A . 19 G H22 . . A . 20 C H1' . . . 19 . H22 . . . . . 20 . H1' . . rr_1szy 1 949 1 . . 1 1 19 19 G H8 H . . . 1 1 20 20 C H5 H . . . . . 3.899 3.799 3.999 . . . . . A . 19 G H8 . . A . 20 C H5 . . . 19 . H8 . . . . . 20 . H5 . . rr_1szy 1 950 1 . . 1 1 19 19 G H1 H . . . 1 1 20 20 C H41 H . . . . . 4.353 4.253 4.453 . . . . . A . 19 G H1 . . A . 20 C H41 . . . 19 . H1 . . . . . 20 . H41 . . rr_1szy 1 951 1 . . 1 1 20 20 C H42 H . . . 1 1 19 19 G H1 H . . . . . 3.748 3.648 3.848 . . . . . A . 20 C H42 . . A . 19 G H1 . . . 20 . H42 . . . . . 19 . H1 . . rr_1szy 1 952 1 . . 1 1 19 19 G H1 H . . . 1 1 20 20 C H5 H . . . . . 4.950 4.850 5.050 . . . . . A . 19 G H1 . . A . 20 C H5 . . . 19 . H1 . . . . . 20 . H5 . . rr_1szy 1 953 1 . . 1 1 20 20 C H1' H . . . 1 1 20 20 C H2' H . . . . . 2.805 2.705 2.905 . . . . . A . 20 C H1' . . A . 20 C H2' . . . 20 . H1' . . . . . 20 . H2' . . rr_1szy 1 954 1 . . 1 1 20 20 C H1' H . . . 1 1 20 20 C H3' H . . . . . 3.857 3.757 3.957 . . . . . A . 20 C H1' . . A . 20 C H3' . . . 20 . H1' . . . . . 20 . H3' . . rr_1szy 1 955 1 . . 1 1 20 20 C H1' H . . . 1 1 20 20 C H4' H . . . . . 3.397 3.297 3.497 . . . . . A . 20 C H1' . . A . 20 C H4' . . . 20 . H1' . . . . . 20 . H4' . . rr_1szy 1 956 1 . . 1 1 20 20 C H1' H . . . 1 1 20 20 C H5' H . . . . . 4.578 4.478 4.678 . . . . . A . 20 C H1' . . A . 20 C H5' . . . 20 . H1' . . . . . 20 . H5' . . rr_1szy 1 957 1 . . 1 1 20 20 C H1' H . . . 1 1 20 20 C HO2' H . . . . . 2.989 2.889 3.089 . . . . . A . 20 C H1' . . A . 20 C HO2' . . . 20 . H1' . . . . . 20 . HO2' . . rr_1szy 1 958 1 . . 1 1 20 20 C H1' H . . . 1 1 20 20 C H6 H . . . . . 3.521 3.421 3.621 . . . . . A . 20 C H1' . . A . 20 C H6 . . . 20 . H1' . . . . . 20 . H6 . . rr_1szy 1 959 1 . . 1 1 20 20 C H1' H . . . 1 1 21 21 C H5' H . . . . . 4.677 4.577 4.777 . . . . . A . 20 C H1' . . A . 21 C H5' . . . 20 . H1' . . . . . 21 . H5' . . rr_1szy 1 960 1 . . 1 1 20 20 C H1' H . . . 1 1 21 21 C H6 H . . . . . 4.298 4.198 4.398 . . . . . A . 20 C H1' . . A . 21 C H6 . . . 20 . H1' . . . . . 21 . H6 . . rr_1szy 1 961 1 . . 1 1 20 20 C H1' H . . . 1 1 21 21 C H5 H . . . . . 4.980 4.880 5.080 . . . . . A . 20 C H1' . . A . 21 C H5 . . . 20 . H1' . . . . . 21 . H5 . . rr_1szy 1 962 1 . . 1 1 20 20 C H2' H . . . 1 1 20 20 C H3' H . . . . . 2.425 2.325 2.525 . . . . . A . 20 C H2' . . A . 20 C H3' . . . 20 . H2' . . . . . 20 . H3' . . rr_1szy 1 963 1 . . 1 1 20 20 C H2' H . . . 1 1 20 20 C H4' H . . . . . 3.813 3.713 3.913 . . . . . A . 20 C H2' . . A . 20 C H4' . . . 20 . H2' . . . . . 20 . H4' . . rr_1szy 1 964 1 . . 1 1 20 20 C H2' H . . . 1 1 20 20 C HO2' H . . . . . 2.193 2.093 2.293 . . . . . A . 20 C H2' . . A . 20 C HO2' . . . 20 . H2' . . . . . 20 . HO2' . . rr_1szy 1 965 1 . . 1 1 20 20 C H2' H . . . 1 1 20 20 C H6 H . . . . . 3.999 3.899 4.099 . . . . . A . 20 C H2' . . A . 20 C H6 . . . 20 . H2' . . . . . 20 . H6 . . rr_1szy 1 966 1 . . 1 1 21 21 C H1' H . . . 1 1 20 20 C H2' H . . . . . 4.192 4.092 4.292 . . . . . A . 21 C H1' . . A . 20 C H2' . . . 21 . H1' . . . . . 20 . H2' . . rr_1szy 1 967 1 . . 1 1 20 20 C H2' H . . . 1 1 21 21 C H3' H . . . . . 4.263 4.163 4.363 . . . . . A . 20 C H2' . . A . 21 C H3' . . . 20 . H2' . . . . . 21 . H3' . . rr_1szy 1 968 1 . . 1 1 20 20 C H2' H . . . 1 1 21 21 C H4' H . . . . . 4.442 4.342 4.542 . . . . . A . 20 C H2' . . A . 21 C H4' . . . 20 . H2' . . . . . 21 . H4' . . rr_1szy 1 969 1 . . 1 1 20 20 C H2' H . . . 1 1 21 21 C H5' H . . . . . 2.892 2.792 2.992 . . . . . A . 20 C H2' . . A . 21 C H5' . . . 20 . H2' . . . . . 21 . H5' . . rr_1szy 1 970 1 . . 1 1 20 20 C H2' H . . . 1 1 21 21 C H5'' H . . . . . 4.269 4.169 4.369 . . . . . A . 20 C H2' . . A . 21 C H5'' . . . 20 . H2' . . . . . 21 . H5'' . . rr_1szy 1 971 1 . . 1 1 20 20 C H2' H . . . 1 1 21 21 C H6 H . . . . . 1.582 1.482 1.682 . . . . . A . 20 C H2' . . A . 21 C H6 . . . 20 . H2' . . . . . 21 . H6 . . rr_1szy 1 972 1 . . 1 1 20 20 C H2' H . . . 1 1 21 21 C H5 H . . . . . 3.089 2.989 3.189 . . . . . A . 20 C H2' . . A . 21 C H5 . . . 20 . H2' . . . . . 21 . H5 . . rr_1szy 1 973 1 . . 1 1 20 20 C H3' H . . . 1 1 20 20 C H4' H . . . . . 3.007 2.907 3.107 . . . . . A . 20 C H3' . . A . 20 C H4' . . . 20 . H3' . . . . . 20 . H4' . . rr_1szy 1 974 1 . . 1 1 20 20 C H5' H . . . 1 1 20 20 C H3' H . . . . . 3.687 3.587 3.787 . . . . . A . 20 C H5' . . A . 20 C H3' . . . 20 . H5' . . . . . 20 . H3' . . rr_1szy 1 975 1 . . 1 1 20 20 C H3' H . . . 1 1 20 20 C H5'' H . . . . . 3.085 2.985 3.185 . . . . . A . 20 C H3' . . A . 20 C H5'' . . . 20 . H3' . . . . . 20 . H5'' . . rr_1szy 1 976 1 . . 1 1 20 20 C H3' H . . . 1 1 20 20 C HO2' H . . . . . 3.993 3.893 4.093 . . . . . A . 20 C H3' . . A . 20 C HO2' . . . 20 . H3' . . . . . 20 . HO2' . . rr_1szy 1 977 1 . . 1 1 20 20 C H6 H . . . 1 1 20 20 C H3' H . . . . . 2.988 2.888 3.088 . . . . . A . 20 C H6 . . A . 20 C H3' . . . 20 . H6 . . . . . 20 . H3' . . rr_1szy 1 978 1 . . 1 1 20 20 C H5 H . . . 1 1 20 20 C H3' H . . . . . 4.769 4.669 4.869 . . . . . A . 20 C H5 . . A . 20 C H3' . . . 20 . H5 . . . . . 20 . H3' . . rr_1szy 1 979 1 . . 1 1 20 20 C H3' H . . . 1 1 21 21 C H5' H . . . . . 3.958 3.858 4.058 . . . . . A . 20 C H3' . . A . 21 C H5' . . . 20 . H3' . . . . . 21 . H5' . . rr_1szy 1 980 1 . . 1 1 20 20 C H3' H . . . 1 1 21 21 C H5'' H . . . . . 4.908 4.808 5.008 . . . . . A . 20 C H3' . . A . 21 C H5'' . . . 20 . H3' . . . . . 21 . H5'' . . rr_1szy 1 981 1 . . 1 1 21 21 C H6 H . . . 1 1 20 20 C H3' H . . . . . 3.104 3.004 3.204 . . . . . A . 21 C H6 . . A . 20 C H3' . . . 21 . H6 . . . . . 20 . H3' . . rr_1szy 1 982 1 . . 1 1 21 21 C H5 H . . . 1 1 20 20 C H3' H . . . . . 3.313 3.213 3.413 . . . . . A . 21 C H5 . . A . 20 C H3' . . . 21 . H5 . . . . . 20 . H3' . . rr_1szy 1 983 1 . . 1 1 20 20 C H5' H . . . 1 1 20 20 C H4' H . . . . . 2.533 2.433 2.633 . . . . . A . 20 C H5' . . A . 20 C H4' . . . 20 . H5' . . . . . 20 . H4' . . rr_1szy 1 984 1 . . 1 1 20 20 C H4' H . . . 1 1 20 20 C H5'' H . . . . . 2.370 2.270 2.470 . . . . . A . 20 C H4' . . A . 20 C H5'' . . . 20 . H4' . . . . . 20 . H5'' . . rr_1szy 1 985 1 . . 1 1 20 20 C H4' H . . . 1 1 20 20 C HO2' H . . . . . 3.778 3.678 3.878 . . . . . A . 20 C H4' . . A . 20 C HO2' . . . 20 . H4' . . . . . 20 . HO2' . . rr_1szy 1 986 1 . . 1 1 20 20 C H6 H . . . 1 1 20 20 C H4' H . . . . . 4.052 3.952 4.152 . . . . . A . 20 C H6 . . A . 20 C H4' . . . 20 . H6 . . . . . 20 . H4' . . rr_1szy 1 987 1 . . 1 1 20 20 C H4' H . . . 1 1 21 21 C H5' H . . . . . 4.167 4.067 4.267 . . . . . A . 20 C H4' . . A . 21 C H5' . . . 20 . H4' . . . . . 21 . H5' . . rr_1szy 1 988 1 . . 1 1 20 20 C H5' H . . . 1 1 20 20 C H5'' H . . . . . 1.775 1.675 1.875 . . . . . A . 20 C H5' . . A . 20 C H5'' . . . 20 . H5' . . . . . 20 . H5'' . . rr_1szy 1 989 1 . . 1 1 20 20 C H5' H . . . 1 1 20 20 C H6 H . . . . . 3.242 3.142 3.342 . . . . . A . 20 C H5' . . A . 20 C H6 . . . 20 . H5' . . . . . 20 . H6 . . rr_1szy 1 990 1 . . 1 1 20 20 C H6 H . . . 1 1 20 20 C H5'' H . . . . . 4.055 3.955 4.155 . . . . . A . 20 C H6 . . A . 20 C H5'' . . . 20 . H6 . . . . . 20 . H5'' . . rr_1szy 1 991 1 . . 1 1 21 21 C H1' H . . . 1 1 20 20 C HO2' H . . . . . 4.151 4.051 4.251 . . . . . A . 21 C H1' . . A . 20 C HO2' . . . 21 . H1' . . . . . 20 . HO2' . . rr_1szy 1 992 1 . . 1 1 20 20 C HO2' H . . . 1 1 21 21 C H3' H . . . . . 4.844 4.744 4.944 . . . . . A . 20 C HO2' . . A . 21 C H3' . . . 20 . HO2' . . . . . 21 . H3' . . rr_1szy 1 993 1 . . 1 1 20 20 C HO2' H . . . 1 1 21 21 C H4' H . . . . . 3.521 3.421 3.621 . . . . . A . 20 C HO2' . . A . 21 C H4' . . . 20 . HO2' . . . . . 21 . H4' . . rr_1szy 1 994 1 . . 1 1 20 20 C HO2' H . . . 1 1 21 21 C H5' H . . . . . 1.995 1.895 2.095 . . . . . A . 20 C HO2' . . A . 21 C H5' . . . 20 . HO2' . . . . . 21 . H5' . . rr_1szy 1 995 1 . . 1 1 20 20 C HO2' H . . . 1 1 21 21 C H5'' H . . . . . 3.738 3.638 3.838 . . . . . A . 20 C HO2' . . A . 21 C H5'' . . . 20 . HO2' . . . . . 21 . H5'' . . rr_1szy 1 996 1 . . 1 1 21 21 C H6 H . . . 1 1 20 20 C HO2' H . . . . . 3.222 3.122 3.322 . . . . . A . 21 C H6 . . A . 20 C HO2' . . . 21 . H6 . . . . . 20 . HO2' . . rr_1szy 1 997 1 . . 1 1 20 20 C H42 H . . . 1 1 20 20 C H41 H . . . . . 1.784 1.684 1.884 . . . . . A . 20 C H42 . . A . 20 C H41 . . . 20 . H42 . . . . . 20 . H41 . . rr_1szy 1 998 1 . . 1 1 20 20 C H41 H . . . 1 1 20 20 C H6 H . . . . . 4.650 4.550 4.750 . . . . . A . 20 C H41 . . A . 20 C H6 . . . 20 . H41 . . . . . 20 . H6 . . rr_1szy 1 999 1 . . 1 1 20 20 C H41 H . . . 1 1 20 20 C H5 H . . . . . 2.425 2.325 2.525 . . . . . A . 20 C H41 . . A . 20 C H5 . . . 20 . H41 . . . . . 20 . H5 . . rr_1szy 1 1000 1 . . 1 1 21 21 C H41 H . . . 1 1 20 20 C H41 H . . . . . 3.221 3.121 3.321 . . . . . A . 21 C H41 . . A . 20 C H41 . . . 21 . H41 . . . . . 20 . H41 . . rr_1szy 1 1001 1 . . 1 1 21 21 C H42 H . . . 1 1 20 20 C H41 H . . . . . 4.124 4.024 4.224 . . . . . A . 21 C H42 . . A . 20 C H41 . . . 21 . H42 . . . . . 20 . H41 . . rr_1szy 1 1002 1 . . 1 1 20 20 C H41 H . . . 1 1 21 21 C H5 H . . . . . 4.475 4.375 4.575 . . . . . A . 20 C H41 . . A . 21 C H5 . . . 20 . H41 . . . . . 21 . H5 . . rr_1szy 1 1003 1 . . 1 1 20 20 C H42 H . . . 1 1 20 20 C H5 H . . . . . 3.708 3.608 3.808 . . . . . A . 20 C H42 . . A . 20 C H5 . . . 20 . H42 . . . . . 20 . H5 . . rr_1szy 1 1004 1 . . 1 1 20 20 C H42 H . . . 1 1 21 21 C H41 H . . . . . 3.065 2.965 3.165 . . . . . A . 20 C H42 . . A . 21 C H41 . . . 20 . H42 . . . . . 21 . H41 . . rr_1szy 1 1005 1 . . 1 1 21 21 C H42 H . . . 1 1 20 20 C H42 H . . . . . 3.264 3.164 3.364 . . . . . A . 21 C H42 . . A . 20 C H42 . . . 21 . H42 . . . . . 20 . H42 . . rr_1szy 1 1006 1 . . 1 1 20 20 C H42 H . . . 1 1 21 21 C H5 H . . . . . 4.393 4.293 4.493 . . . . . A . 20 C H42 . . A . 21 C H5 . . . 20 . H42 . . . . . 21 . H5 . . rr_1szy 1 1007 1 . . 1 1 20 20 C H6 H . . . 1 1 20 20 C H5 H . . . . . 2.457 2.357 2.557 . . . . . A . 20 C H6 . . A . 20 C H5 . . . 20 . H6 . . . . . 20 . H5 . . rr_1szy 1 1008 1 . . 1 1 21 21 C H6 H . . . 1 1 20 20 C H6 H . . . . . 4.952 4.852 5.052 . . . . . A . 21 C H6 . . A . 20 C H6 . . . 21 . H6 . . . . . 20 . H6 . . rr_1szy 1 1009 1 . . 1 1 21 21 C H5 H . . . 1 1 20 20 C H6 H . . . . . 4.001 3.901 4.101 . . . . . A . 21 C H5 . . A . 20 C H6 . . . 21 . H5 . . . . . 20 . H6 . . rr_1szy 1 1010 1 . . 1 1 21 21 C H41 H . . . 1 1 20 20 C H5 H . . . . . 4.046 3.946 4.146 . . . . . A . 21 C H41 . . A . 20 C H5 . . . 21 . H41 . . . . . 20 . H5 . . rr_1szy 1 1011 1 . . 1 1 21 21 C H5 H . . . 1 1 20 20 C H5 H . . . . . 3.994 3.894 4.094 . . . . . A . 21 C H5 . . A . 20 C H5 . . . 21 . H5 . . . . . 20 . H5 . . rr_1szy 1 1012 1 . . 1 1 21 21 C H1' H . . . 1 1 21 21 C H2' H . . . . . 2.805 2.705 2.905 . . . . . A . 21 C H1' . . A . 21 C H2' . . . 21 . H1' . . . . . 21 . H2' . . rr_1szy 1 1013 1 . . 1 1 21 21 C H1' H . . . 1 1 21 21 C H3' H . . . . . 3.857 3.757 3.957 . . . . . A . 21 C H1' . . A . 21 C H3' . . . 21 . H1' . . . . . 21 . H3' . . rr_1szy 1 1014 1 . . 1 1 21 21 C H1' H . . . 1 1 21 21 C H4' H . . . . . 3.398 3.298 3.498 . . . . . A . 21 C H1' . . A . 21 C H4' . . . 21 . H1' . . . . . 21 . H4' . . rr_1szy 1 1015 1 . . 1 1 21 21 C H1' H . . . 1 1 21 21 C H5' H . . . . . 4.578 4.478 4.678 . . . . . A . 21 C H1' . . A . 21 C H5' . . . 21 . H1' . . . . . 21 . H5' . . rr_1szy 1 1016 1 . . 1 1 21 21 C H1' H . . . 1 1 21 21 C HO2' H . . . . . 2.989 2.889 3.089 . . . . . A . 21 C H1' . . A . 21 C HO2' . . . 21 . H1' . . . . . 21 . HO2' . . rr_1szy 1 1017 1 . . 1 1 21 21 C H1' H . . . 1 1 21 21 C H6 H . . . . . 3.520 3.420 3.620 . . . . . A . 21 C H1' . . A . 21 C H6 . . . 21 . H1' . . . . . 21 . H6 . . rr_1szy 1 1018 1 . . 1 1 21 21 C H2' H . . . 1 1 21 21 C H3' H . . . . . 2.425 2.325 2.525 . . . . . A . 21 C H2' . . A . 21 C H3' . . . 21 . H2' . . . . . 21 . H3' . . rr_1szy 1 1019 1 . . 1 1 21 21 C H2' H . . . 1 1 21 21 C H4' H . . . . . 3.813 3.713 3.913 . . . . . A . 21 C H2' . . A . 21 C H4' . . . 21 . H2' . . . . . 21 . H4' . . rr_1szy 1 1020 1 . . 1 1 21 21 C H2' H . . . 1 1 21 21 C HO2' H . . . . . 2.193 2.093 2.293 . . . . . A . 21 C H2' . . A . 21 C HO2' . . . 21 . H2' . . . . . 21 . HO2' . . rr_1szy 1 1021 1 . . 1 1 21 21 C H2' H . . . 1 1 21 21 C H6 H . . . . . 3.999 3.899 4.099 . . . . . A . 21 C H2' . . A . 21 C H6 . . . 21 . H2' . . . . . 21 . H6 . . rr_1szy 1 1022 1 . . 1 1 21 21 C H3' H . . . 1 1 21 21 C H4' H . . . . . 3.007 2.907 3.107 . . . . . A . 21 C H3' . . A . 21 C H4' . . . 21 . H3' . . . . . 21 . H4' . . rr_1szy 1 1023 1 . . 1 1 21 21 C H5' H . . . 1 1 21 21 C H3' H . . . . . 3.686 3.586 3.786 . . . . . A . 21 C H5' . . A . 21 C H3' . . . 21 . H5' . . . . . 21 . H3' . . rr_1szy 1 1024 1 . . 1 1 21 21 C H3' H . . . 1 1 21 21 C H5'' H . . . . . 3.085 2.985 3.185 . . . . . A . 21 C H3' . . A . 21 C H5'' . . . 21 . H3' . . . . . 21 . H5'' . . rr_1szy 1 1025 1 . . 1 1 21 21 C H3' H . . . 1 1 21 21 C HO2' H . . . . . 3.994 3.894 4.094 . . . . . A . 21 C H3' . . A . 21 C HO2' . . . 21 . H3' . . . . . 21 . HO2' . . rr_1szy 1 1026 1 . . 1 1 21 21 C H6 H . . . 1 1 21 21 C H3' H . . . . . 2.988 2.888 3.088 . . . . . A . 21 C H6 . . A . 21 C H3' . . . 21 . H6 . . . . . 21 . H3' . . rr_1szy 1 1027 1 . . 1 1 21 21 C H5 H . . . 1 1 21 21 C H3' H . . . . . 4.769 4.669 4.869 . . . . . A . 21 C H5 . . A . 21 C H3' . . . 21 . H5 . . . . . 21 . H3' . . rr_1szy 1 1028 1 . . 1 1 21 21 C H5' H . . . 1 1 21 21 C H4' H . . . . . 2.534 2.434 2.634 . . . . . A . 21 C H5' . . A . 21 C H4' . . . 21 . H5' . . . . . 21 . H4' . . rr_1szy 1 1029 1 . . 1 1 21 21 C H4' H . . . 1 1 21 21 C H5'' H . . . . . 2.370 2.270 2.470 . . . . . A . 21 C H4' . . A . 21 C H5'' . . . 21 . H4' . . . . . 21 . H5'' . . rr_1szy 1 1030 1 . . 1 1 21 21 C H4' H . . . 1 1 21 21 C HO2' H . . . . . 3.779 3.679 3.879 . . . . . A . 21 C H4' . . A . 21 C HO2' . . . 21 . H4' . . . . . 21 . HO2' . . rr_1szy 1 1031 1 . . 1 1 21 21 C H6 H . . . 1 1 21 21 C H4' H . . . . . 4.052 3.952 4.152 . . . . . A . 21 C H6 . . A . 21 C H4' . . . 21 . H6 . . . . . 21 . H4' . . rr_1szy 1 1032 1 . . 1 1 21 21 C H5' H . . . 1 1 21 21 C H5'' H . . . . . 1.775 1.675 1.875 . . . . . A . 21 C H5' . . A . 21 C H5'' . . . 21 . H5' . . . . . 21 . H5'' . . rr_1szy 1 1033 1 . . 1 1 21 21 C H6 H . . . 1 1 21 21 C H5' H . . . . . 3.241 3.141 3.341 . . . . . A . 21 C H6 . . A . 21 C H5' . . . 21 . H6 . . . . . 21 . H5' . . rr_1szy 1 1034 1 . . 1 1 21 21 C H6 H . . . 1 1 21 21 C H5'' H . . . . . 4.055 3.955 4.155 . . . . . A . 21 C H6 . . A . 21 C H5'' . . . 21 . H6 . . . . . 21 . H5'' . . rr_1szy 1 1035 1 . . 1 1 21 21 C H42 H . . . 1 1 21 21 C H41 H . . . . . 1.784 1.684 1.884 . . . . . A . 21 C H42 . . A . 21 C H41 . . . 21 . H42 . . . . . 21 . H41 . . rr_1szy 1 1036 1 . . 1 1 21 21 C H41 H . . . 1 1 21 21 C H6 H . . . . . 4.650 4.550 4.750 . . . . . A . 21 C H41 . . A . 21 C H6 . . . 21 . H41 . . . . . 21 . H6 . . rr_1szy 1 1037 1 . . 1 1 21 21 C H41 H . . . 1 1 21 21 C H5 H . . . . . 2.425 2.325 2.525 . . . . . A . 21 C H41 . . A . 21 C H5 . . . 21 . H41 . . . . . 21 . H5 . . rr_1szy 1 1038 1 . . 1 1 21 21 C H42 H . . . 1 1 21 21 C H5 H . . . . . 3.708 3.608 3.808 . . . . . A . 21 C H42 . . A . 21 C H5 . . . 21 . H42 . . . . . 21 . H5 . . rr_1szy 1 1039 1 . . 1 1 21 21 C H6 H . . . 1 1 21 21 C H5 H . . . . . 2.457 2.357 2.557 . . . . . A . 21 C H6 . . A . 21 C H5 . . . 21 . H6 . . . . . 21 . H5 . . rr_1szy 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 "assign (resid 7 and name h1') (resid 8 and name h3') 4 1 1 ! secondary" 4 1 4 80 rr_1szy 1 2 "assign (resid 7 and name h5') (resid 8 and name h5) 4 2.8 2.8 ! secondary" 10 1 10 80 rr_1szy 1 3 reduced 14 67 14 76 rr_1szy 1 4 reduced 15 67 15 76 rr_1szy 1 5 ; assign (resid 8 and name h6) (resid 11 and name h8) 2.4 0.6 0.6 ! secondary assign (resid 8 and name h1') (resid 8 and name h5) 4 1 1 ! secondary ; 17 1 18 79 rr_1szy 1 6 "assign (resid 8 and name h5) (resid 8 and name h4') 4 1 1 ! secondary" 25 1 25 79 rr_1szy 1 7 ; reduced assign (resid 9 and name h3') (resid 10 and name h1') 4 1 1 ! secondary ; 45 68 46 80 rr_1szy 1 8 ; reduced assign (resid 10 and name h4') (resid 11 and name h3') 4 1 1 ! secondary ; 60 69 61 80 rr_1szy 1 9 reduced 65 69 65 78 rr_1szy 1 10 increased 69 69 69 80 rr_1szy 1 11 increased 72 69 72 80 rr_1szy 1 12 reduced 102 69 102 78 rr_1szy 1 13 reduced 105 69 105 78 rr_1szy 1 14 increased 108 69 108 80 rr_1szy 1 15 reduced 120 68 120 77 rr_1szy 1 16 reduced 127 70 127 79 rr_1szy 1 17 'From kangaroo, added by hand' 132 1 132 31 rr_1szy 1 18 'From rugen, added by hand' 135 1 135 28 rr_1szy 1 stop_ save_ save_CNS/XPLOR_distance_constraints_8 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_8 _Gen_dist_constraint_list.Entry_ID rr_1szy _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type 'hydrogen bond' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 8 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . rr_1szy 2 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 21 21 C H42 H . . . 1 1 1 1 G O6 O . . . . . 1.90 1.80 2.00 . . . . . A . 21 C H42 . . A . 1 G O6 . . . 21 . H42 . . . . . 1 . O6 . . rr_1szy 2 2 1 . . 1 1 1 1 G H1 H . . . 1 1 21 21 C N3 N . . . . . 1.94 1.84 2.04 . . . . . A . 1 G H1 . . A . 21 C N3 . . . 1 . H1 . . . . . 21 . N3 . . rr_1szy 2 3 1 . . 1 1 1 1 G H22 H . . . 1 1 21 21 C O2 O . . . . . 1.90 1.80 2.00 . . . . . A . 1 G H22 . . A . 21 C O2 . . . 1 . H22 . . . . . 21 . O2 . . rr_1szy 2 4 1 . . 1 1 20 20 C H42 H . . . 1 1 2 2 G O6 O . . . . . 1.90 1.80 2.00 . . . . . A . 20 C H42 . . A . 2 G O6 . . . 20 . H42 . . . . . 2 . O6 . . rr_1szy 2 5 1 . . 1 1 2 2 G H1 H . . . 1 1 20 20 C N3 N . . . . . 1.94 1.84 2.04 . . . . . A . 2 G H1 . . A . 20 C N3 . . . 2 . H1 . . . . . 20 . N3 . . rr_1szy 2 6 1 . . 1 1 2 2 G H22 H . . . 1 1 20 20 C O2 O . . . . . 1.90 1.80 2.00 . . . . . A . 2 G H22 . . A . 20 C O2 . . . 2 . H22 . . . . . 20 . O2 . . rr_1szy 2 7 1 . . 1 1 3 3 C H42 H . . . 1 1 19 19 G O6 O . . . . . 1.90 1.80 2.00 . . . . . A . 3 C H42 . . A . 19 G O6 . . . 3 . H42 . . . . . 19 . O6 . . rr_1szy 2 8 1 . . 1 1 19 19 G H1 H . . . 1 1 3 3 C N3 N . . . . . 1.94 1.84 2.04 . . . . . A . 19 G H1 . . A . 3 C N3 . . . 19 . H1 . . . . . 3 . N3 . . rr_1szy 2 9 1 . . 1 1 19 19 G H22 H . . . 1 1 3 3 C O2 O . . . . . 1.90 1.80 2.00 . . . . . A . 19 G H22 . . A . 3 C O2 . . . 19 . H22 . . . . . 3 . O2 . . rr_1szy 2 10 1 . . 1 1 4 4 A H62 H . . . 1 1 18 18 U O4 O . . . . . 1.94 1.84 2.04 . . . . . A . 4 A H62 . . A . 18 U O4 . . . 4 . H62 . . . . . 18 . O4 . . rr_1szy 2 11 1 . . 1 1 18 18 U H3 H . . . 1 1 4 4 A N1 N . . . . . 1.81 1.71 1.91 . . . . . A . 18 U H3 . . A . 4 A N1 . . . 18 . H3 . . . . . 4 . N1 . . rr_1szy 2 12 1 . . 1 1 17 17 C H42 H . . . 1 1 5 5 G O6 O . . . . . 1.90 1.80 2.00 . . . . . A . 17 C H42 . . A . 5 G O6 . . . 17 . H42 . . . . . 5 . O6 . . rr_1szy 2 13 1 . . 1 1 5 5 G H1 H . . . 1 1 17 17 C N3 N . . . . . 1.94 1.84 2.04 . . . . . A . 5 G H1 . . A . 17 C N3 . . . 5 . H1 . . . . . 17 . N3 . . rr_1szy 2 14 1 . . 1 1 5 5 G H22 H . . . 1 1 17 17 C O2 O . . . . . 1.90 1.80 2.00 . . . . . A . 5 G H22 . . A . 17 C O2 . . . 5 . H22 . . . . . 17 . O2 . . rr_1szy 2 15 1 . . 1 1 16 16 C H42 H . . . 1 1 6 6 G O6 O . . . . . 1.90 1.80 2.00 . . . . . A . 16 C H42 . . A . 6 G O6 . . . 16 . H42 . . . . . 6 . O6 . . rr_1szy 2 16 1 . . 1 1 6 6 G H1 H . . . 1 1 16 16 C N3 N . . . . . 1.94 1.84 2.04 . . . . . A . 6 G H1 . . A . 16 C N3 . . . 6 . H1 . . . . . 16 . N3 . . rr_1szy 2 17 1 . . 1 1 6 6 G H22 H . . . 1 1 16 16 C O2 O . . . . . 1.90 1.80 2.00 . . . . . A . 6 G H22 . . A . 16 C O2 . . . 6 . H22 . . . . . 16 . O2 . . rr_1szy 2 18 1 . . 1 1 15 15 C H42 H . . . 1 1 7 7 G O6 O . . . . . 1.90 1.80 2.00 . . . . . A . 15 C H42 . . A . 7 G O6 . . . 15 . H42 . . . . . 7 . O6 . . rr_1szy 2 19 1 . . 1 1 7 7 G H1 H . . . 1 1 15 15 C N3 N . . . . . 1.94 1.84 2.04 . . . . . A . 7 G H1 . . A . 15 C N3 . . . 7 . H1 . . . . . 15 . N3 . . rr_1szy 2 20 1 . . 1 1 7 7 G H22 H . . . 1 1 15 15 C O2 O . . . . . 1.90 1.80 2.00 . . . . . A . 7 G H22 . . A . 15 C O2 . . . 7 . H22 . . . . . 15 . O2 . . rr_1szy 2 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 ; Base pair restraints Heavy-atom to heavy-atom distances from Saenger p. 123 Imino and amino to bonded nitrogen distances (all 1.01) from JPR's parameter file AU pair AN6-UO4 (2.95) - AN6-AH62 (1.01) = AH62-UO4 (1.94) AN1-UN3 (2.82) - UH3-UN3 (1.01) = AN1-UH3 (1.81) GC pair GO6-CN4 (2.91) - CH42-CN4 (1.01) = GO6-CH42 (1.90) GN1-CN3 (2.95) - GN1-GH1 (1.01) = GH1-CN3 (1.94) GN2-CO2 (2.86) - GN2-GH22 (1.01) = GH22-CO2 (1.85) GC ; 1 1 18 5 rr_1szy 2 2 GC 24 1 24 5 rr_1szy 2 3 CG 30 1 30 5 rr_1szy 2 4 AU 36 1 36 5 rr_1szy 2 5 GC 41 1 41 5 rr_1szy 2 6 GC 47 1 47 5 rr_1szy 2 7 GC 53 1 53 5 rr_1szy 2 stop_ save_ save_CNS/XPLOR_dihedral_14 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_14 _Torsion_angle_constraint_list.Entry_ID rr_1szy _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 14 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . rr_1szy 1 stop_ loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Atom_type_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Atom_type_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Atom_type_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Atom_type_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.PDB_record_ID_1 _Torsion_angle_constraint.PDB_model_num_1 _Torsion_angle_constraint.PDB_strand_ID_1 _Torsion_angle_constraint.PDB_ins_code_1 _Torsion_angle_constraint.PDB_residue_no_1 _Torsion_angle_constraint.PDB_residue_name_1 _Torsion_angle_constraint.PDB_atom_name_1 _Torsion_angle_constraint.PDB_record_ID_2 _Torsion_angle_constraint.PDB_model_num_2 _Torsion_angle_constraint.PDB_strand_ID_2 _Torsion_angle_constraint.PDB_ins_code_2 _Torsion_angle_constraint.PDB_residue_no_2 _Torsion_angle_constraint.PDB_residue_name_2 _Torsion_angle_constraint.PDB_atom_name_2 _Torsion_angle_constraint.PDB_record_ID_3 _Torsion_angle_constraint.PDB_model_num_3 _Torsion_angle_constraint.PDB_strand_ID_3 _Torsion_angle_constraint.PDB_ins_code_3 _Torsion_angle_constraint.PDB_residue_no_3 _Torsion_angle_constraint.PDB_residue_name_3 _Torsion_angle_constraint.PDB_atom_name_3 _Torsion_angle_constraint.PDB_record_ID_4 _Torsion_angle_constraint.PDB_model_num_4 _Torsion_angle_constraint.PDB_strand_ID_4 _Torsion_angle_constraint.PDB_ins_code_4 _Torsion_angle_constraint.PDB_residue_no_4 _Torsion_angle_constraint.PDB_residue_name_4 _Torsion_angle_constraint.PDB_atom_name_4 _Torsion_angle_constraint.Auth_entity_assembly_ID_1 _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_chain_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_alt_ID_1 _Torsion_angle_constraint.Auth_atom_name_1 _Torsion_angle_constraint.Auth_entity_assembly_ID_2 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_chain_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_alt_ID_2 _Torsion_angle_constraint.Auth_atom_name_2 _Torsion_angle_constraint.Auth_entity_assembly_ID_3 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_chain_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_alt_ID_3 _Torsion_angle_constraint.Auth_atom_name_3 _Torsion_angle_constraint.Auth_entity_assembly_ID_4 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_chain_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Auth_alt_ID_4 _Torsion_angle_constraint.Auth_atom_name_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . 1 1 1 1 G C4' C . . 1 1 1 1 G C3' C . . 1 1 1 1 G O3' O . . 1 1 2 2 G P P . -168.0 -138.0 . . . A . 1 G C4' . . A . 1 G C3' . . A . 1 G O3' . . A . 2 G P . . . 1 . C4' . . . . . 1 . C3' . . . . . 1 . O3' . . . . . 2 . P . . rr_1szy 1 2 . . 1 1 1 1 G C3' C . . 1 1 1 1 G O3' O . . 1 1 2 2 G P P . . 1 1 2 2 G O5' O . -86.0 -56.0 . . . A . 1 G C3' . . A . 1 G O3' . . A . 2 G P . . A . 2 G O5' . . . 1 . C3' . . . . . 1 . O3' . . . . . 2 . P . . . . . 2 . O5' . . rr_1szy 1 3 . . 1 1 1 1 G O4' O . . 1 1 1 1 G C1' C . . 1 1 1 1 G N9 N . . 1 1 1 1 G C4 C . -173.0 -143.0 . . . A . 1 G O4' . . A . 1 G C1' . . A . 1 G N9 . . A . 1 G C4 . . . 1 . O4' . . . . . 1 . C1' . . . . . 1 . N9 . . . . . 1 . C4 . . rr_1szy 1 4 . . 1 1 1 1 G C4' C . . 1 1 1 1 G O4' O . . 1 1 1 1 G C1' C . . 1 1 1 1 G C2' C . -12.0 18.0 . . . A . 1 G C4' . . A . 1 G O4' . . A . 1 G C1' . . A . 1 G C2' . . . 1 . C4' . . . . . 1 . O4' . . . . . 1 . C1' . . . . . 1 . C2' . . rr_1szy 1 5 . . 1 1 1 1 G O4' O . . 1 1 1 1 G C1' C . . 1 1 1 1 G C2' C . . 1 1 1 1 G C3' C . -40.0 -10.0 . . . A . 1 G O4' . . A . 1 G C1' . . A . 1 G C2' . . A . 1 G C3' . . . 1 . O4' . . . . . 1 . C1' . . . . . 1 . C2' . . . . . 1 . C3' . . rr_1szy 1 6 . . 1 1 1 1 G C1' C . . 1 1 1 1 G C2' C . . 1 1 1 1 G C3' C . . 1 1 1 1 G C4' C . 22.0 52.0 . . . A . 1 G C1' . . A . 1 G C2' . . A . 1 G C3' . . A . 1 G C4' . . . 1 . C1' . . . . . 1 . C2' . . . . . 1 . C3' . . . . . 1 . C4' . . rr_1szy 1 7 . . 1 1 1 1 G C2' C . . 1 1 1 1 G C3' C . . 1 1 1 1 G C4' C . . 1 1 1 1 G O4' O . -51.0 -21.0 . . . A . 1 G C2' . . A . 1 G C3' . . A . 1 G C4' . . A . 1 G O4' . . . 1 . C2' . . . . . 1 . C3' . . . . . 1 . C4' . . . . . 1 . O4' . . rr_1szy 1 8 . . 1 1 1 1 G C3' C . . 1 1 1 1 G C4' C . . 1 1 1 1 G O4' O . . 1 1 1 1 G C1' C . 6.0 36.0 . . . A . 1 G C3' . . A . 1 G C4' . . A . 1 G O4' . . A . 1 G C1' . . . 1 . C3' . . . . . 1 . C4' . . . . . 1 . O4' . . . . . 1 . C1' . . rr_1szy 1 9 . . 1 1 1 1 G O3' O . . 1 1 2 2 G P P . . 1 1 2 2 G O5' O . . 1 1 2 2 G C5' C . -83.0 -53.0 . . . A . 1 G O3' . . A . 2 G P . . A . 2 G O5' . . A . 2 G C5' . . . 1 . O3' . . . . . 2 . P . . . . . 2 . O5' . . . . . 2 . C5' . . rr_1szy 1 10 . . 1 1 2 2 G P P . . 1 1 2 2 G O5' O . . 1 1 2 2 G C5' C . . 1 1 2 2 G C4' C . 163.0 193.0 . . . A . 2 G P . . A . 2 G O5' . . A . 2 G C5' . . A . 2 G C4' . . . 2 . P . . . . . 2 . O5' . . . . . 2 . C5' . . . . . 2 . C4' . . rr_1szy 1 11 . . 1 1 2 2 G O5' O . . 1 1 2 2 G C5' C . . 1 1 2 2 G C4' C . . 1 1 2 2 G C3' C . 39.0 69.0 . . . A . 2 G O5' . . A . 2 G C5' . . A . 2 G C4' . . A . 2 G C3' . . . 2 . O5' . . . . . 2 . C5' . . . . . 2 . C4' . . . . . 2 . C3' . . rr_1szy 1 12 . . 1 1 2 2 G C4' C . . 1 1 2 2 G C3' C . . 1 1 2 2 G O3' O . . 1 1 3 3 C P P . -168.0 -138.0 . . . A . 2 G C4' . . A . 2 G C3' . . A . 2 G O3' . . A . 3 C P . . . 2 . C4' . . . . . 2 . C3' . . . . . 2 . O3' . . . . . 3 . P . . rr_1szy 1 13 . . 1 1 2 2 G C3' C . . 1 1 2 2 G O3' O . . 1 1 3 3 C P P . . 1 1 3 3 C O5' O . -86.0 -56.0 . . . A . 2 G C3' . . A . 2 G O3' . . A . 3 C P . . A . 3 C O5' . . . 2 . C3' . . . . . 2 . O3' . . . . . 3 . P . . . . . 3 . O5' . . rr_1szy 1 14 . . 1 1 2 2 G O4' O . . 1 1 2 2 G C1' C . . 1 1 2 2 G N9 N . . 1 1 2 2 G C4 C . -173.0 -143.0 . . . A . 2 G O4' . . A . 2 G C1' . . A . 2 G N9 . . A . 2 G C4 . . . 2 . O4' . . . . . 2 . C1' . . . . . 2 . N9 . . . . . 2 . C4 . . rr_1szy 1 15 . . 1 1 2 2 G C4' C . . 1 1 2 2 G O4' O . . 1 1 2 2 G C1' C . . 1 1 2 2 G C2' C . -12.0 18.0 . . . A . 2 G C4' . . A . 2 G O4' . . A . 2 G C1' . . A . 2 G C2' . . . 2 . C4' . . . . . 2 . O4' . . . . . 2 . C1' . . . . . 2 . C2' . . rr_1szy 1 16 . . 1 1 2 2 G O4' O . . 1 1 2 2 G C1' C . . 1 1 2 2 G C2' C . . 1 1 2 2 G C3' C . -40.0 -10.0 . . . A . 2 G O4' . . A . 2 G C1' . . A . 2 G C2' . . A . 2 G C3' . . . 2 . O4' . . . . . 2 . C1' . . . . . 2 . C2' . . . . . 2 . C3' . . rr_1szy 1 17 . . 1 1 2 2 G C1' C . . 1 1 2 2 G C2' C . . 1 1 2 2 G C3' C . . 1 1 2 2 G C4' C . 22.0 52.0 . . . A . 2 G C1' . . A . 2 G C2' . . A . 2 G C3' . . A . 2 G C4' . . . 2 . C1' . . . . . 2 . C2' . . . . . 2 . C3' . . . . . 2 . C4' . . rr_1szy 1 18 . . 1 1 2 2 G C2' C . . 1 1 2 2 G C3' C . . 1 1 2 2 G C4' C . . 1 1 2 2 G O4' O . -51.0 -21.0 . . . A . 2 G C2' . . A . 2 G C3' . . A . 2 G C4' . . A . 2 G O4' . . . 2 . C2' . . . . . 2 . C3' . . . . . 2 . C4' . . . . . 2 . O4' . . rr_1szy 1 19 . . 1 1 2 2 G C3' C . . 1 1 2 2 G C4' C . . 1 1 2 2 G O4' O . . 1 1 2 2 G C1' C . 6.0 36.0 . . . A . 2 G C3' . . A . 2 G C4' . . A . 2 G O4' . . A . 2 G C1' . . . 2 . C3' . . . . . 2 . C4' . . . . . 2 . O4' . . . . . 2 . C1' . . rr_1szy 1 20 . . 1 1 2 2 G O3' O . . 1 1 3 3 C P P . . 1 1 3 3 C O5' O . . 1 1 3 3 C C5' C . -83.0 -53.0 . . . A . 2 G O3' . . A . 3 C P . . A . 3 C O5' . . A . 3 C C5' . . . 2 . O3' . . . . . 3 . P . . . . . 3 . O5' . . . . . 3 . C5' . . rr_1szy 1 21 . . 1 1 3 3 C P P . . 1 1 3 3 C O5' O . . 1 1 3 3 C C5' C . . 1 1 3 3 C C4' C . 163.0 193.0 . . . A . 3 C P . . A . 3 C O5' . . A . 3 C C5' . . A . 3 C C4' . . . 3 . P . . . . . 3 . O5' . . . . . 3 . C5' . . . . . 3 . C4' . . rr_1szy 1 22 . . 1 1 3 3 C O5' O . . 1 1 3 3 C C5' C . . 1 1 3 3 C C4' C . . 1 1 3 3 C C3' C . 39.0 69.0 . . . A . 3 C O5' . . A . 3 C C5' . . A . 3 C C4' . . A . 3 C C3' . . . 3 . O5' . . . . . 3 . C5' . . . . . 3 . C4' . . . . . 3 . C3' . . rr_1szy 1 23 . . 1 1 3 3 C C4' C . . 1 1 3 3 C C3' C . . 1 1 3 3 C O3' O . . 1 1 4 4 A P P . -168.0 -138.0 . . . A . 3 C C4' . . A . 3 C C3' . . A . 3 C O3' . . A . 4 A P . . . 3 . C4' . . . . . 3 . C3' . . . . . 3 . O3' . . . . . 4 . P . . rr_1szy 1 24 . . 1 1 3 3 C C3' C . . 1 1 3 3 C O3' O . . 1 1 4 4 A P P . . 1 1 4 4 A O5' O . -86.0 -56.0 . . . A . 3 C C3' . . A . 3 C O3' . . A . 4 A P . . A . 4 A O5' . . . 3 . C3' . . . . . 3 . O3' . . . . . 4 . P . . . . . 4 . O5' . . rr_1szy 1 25 . . 1 1 3 3 C O4' O . . 1 1 3 3 C C1' C . . 1 1 3 3 C N1 N . . 1 1 3 3 C C2 C . -173.0 -143.0 . . . A . 3 C O4' . . A . 3 C C1' . . A . 3 C N1 . . A . 3 C C2 . . . 3 . O4' . . . . . 3 . C1' . . . . . 3 . N1 . . . . . 3 . C2 . . rr_1szy 1 26 . . 1 1 3 3 C C4' C . . 1 1 3 3 C O4' O . . 1 1 3 3 C C1' C . . 1 1 3 3 C C2' C . -12.0 18.0 . . . A . 3 C C4' . . A . 3 C O4' . . A . 3 C C1' . . A . 3 C C2' . . . 3 . C4' . . . . . 3 . O4' . . . . . 3 . C1' . . . . . 3 . C2' . . rr_1szy 1 27 . . 1 1 3 3 C O4' O . . 1 1 3 3 C C1' C . . 1 1 3 3 C C2' C . . 1 1 3 3 C C3' C . -40.0 -10.0 . . . A . 3 C O4' . . A . 3 C C1' . . A . 3 C C2' . . A . 3 C C3' . . . 3 . O4' . . . . . 3 . C1' . . . . . 3 . C2' . . . . . 3 . C3' . . rr_1szy 1 28 . . 1 1 3 3 C C1' C . . 1 1 3 3 C C2' C . . 1 1 3 3 C C3' C . . 1 1 3 3 C C4' C . 22.0 52.0 . . . A . 3 C C1' . . A . 3 C C2' . . A . 3 C C3' . . A . 3 C C4' . . . 3 . C1' . . . . . 3 . C2' . . . . . 3 . C3' . . . . . 3 . C4' . . rr_1szy 1 29 . . 1 1 3 3 C C2' C . . 1 1 3 3 C C3' C . . 1 1 3 3 C C4' C . . 1 1 3 3 C O4' O . -51.0 -21.0 . . . A . 3 C C2' . . A . 3 C C3' . . A . 3 C C4' . . A . 3 C O4' . . . 3 . C2' . . . . . 3 . C3' . . . . . 3 . C4' . . . . . 3 . O4' . . rr_1szy 1 30 . . 1 1 3 3 C C3' C . . 1 1 3 3 C C4' C . . 1 1 3 3 C O4' O . . 1 1 3 3 C C1' C . 6.0 36.0 . . . A . 3 C C3' . . A . 3 C C4' . . A . 3 C O4' . . A . 3 C C1' . . . 3 . C3' . . . . . 3 . C4' . . . . . 3 . O4' . . . . . 3 . C1' . . rr_1szy 1 31 . . 1 1 3 3 C O3' O . . 1 1 4 4 A P P . . 1 1 4 4 A O5' O . . 1 1 4 4 A C5' C . -83.0 -53.0 . . . A . 3 C O3' . . A . 4 A P . . A . 4 A O5' . . A . 4 A C5' . . . 3 . O3' . . . . . 4 . P . . . . . 4 . O5' . . . . . 4 . C5' . . rr_1szy 1 32 . . 1 1 4 4 A P P . . 1 1 4 4 A O5' O . . 1 1 4 4 A C5' C . . 1 1 4 4 A C4' C . 163.0 193.0 . . . A . 4 A P . . A . 4 A O5' . . A . 4 A C5' . . A . 4 A C4' . . . 4 . P . . . . . 4 . O5' . . . . . 4 . C5' . . . . . 4 . C4' . . rr_1szy 1 33 . . 1 1 4 4 A O5' O . . 1 1 4 4 A C5' C . . 1 1 4 4 A C4' C . . 1 1 4 4 A C3' C . 39.0 69.0 . . . A . 4 A O5' . . A . 4 A C5' . . A . 4 A C4' . . A . 4 A C3' . . . 4 . O5' . . . . . 4 . C5' . . . . . 4 . C4' . . . . . 4 . C3' . . rr_1szy 1 34 . . 1 1 4 4 A C4' C . . 1 1 4 4 A C3' C . . 1 1 4 4 A O3' O . . 1 1 5 5 G P P . -168.0 -138.0 . . . A . 4 A C4' . . A . 4 A C3' . . A . 4 A O3' . . A . 5 G P . . . 4 . C4' . . . . . 4 . C3' . . . . . 4 . O3' . . . . . 5 . P . . rr_1szy 1 35 . . 1 1 4 4 A C3' C . . 1 1 4 4 A O3' O . . 1 1 5 5 G P P . . 1 1 5 5 G O5' O . -86.0 -56.0 . . . A . 4 A C3' . . A . 4 A O3' . . A . 5 G P . . A . 5 G O5' . . . 4 . C3' . . . . . 4 . O3' . . . . . 5 . P . . . . . 5 . O5' . . rr_1szy 1 36 . . 1 1 4 4 A O4' O . . 1 1 4 4 A C1' C . . 1 1 4 4 A N9 N . . 1 1 4 4 A C4 C . -173.0 -143.0 . . . A . 4 A O4' . . A . 4 A C1' . . A . 4 A N9 . . A . 4 A C4 . . . 4 . O4' . . . . . 4 . C1' . . . . . 4 . N9 . . . . . 4 . C4 . . rr_1szy 1 37 . . 1 1 4 4 A C4' C . . 1 1 4 4 A O4' O . . 1 1 4 4 A C1' C . . 1 1 4 4 A C2' C . -12.0 18.0 . . . A . 4 A C4' . . A . 4 A O4' . . A . 4 A C1' . . A . 4 A C2' . . . 4 . C4' . . . . . 4 . O4' . . . . . 4 . C1' . . . . . 4 . C2' . . rr_1szy 1 38 . . 1 1 4 4 A O4' O . . 1 1 4 4 A C1' C . . 1 1 4 4 A C2' C . . 1 1 4 4 A C3' C . -40.0 -10.0 . . . A . 4 A O4' . . A . 4 A C1' . . A . 4 A C2' . . A . 4 A C3' . . . 4 . O4' . . . . . 4 . C1' . . . . . 4 . C2' . . . . . 4 . C3' . . rr_1szy 1 39 . . 1 1 4 4 A C1' C . . 1 1 4 4 A C2' C . . 1 1 4 4 A C3' C . . 1 1 4 4 A C4' C . 22.0 52.0 . . . A . 4 A C1' . . A . 4 A C2' . . A . 4 A C3' . . A . 4 A C4' . . . 4 . C1' . . . . . 4 . C2' . . . . . 4 . C3' . . . . . 4 . C4' . . rr_1szy 1 40 . . 1 1 4 4 A C2' C . . 1 1 4 4 A C3' C . . 1 1 4 4 A C4' C . . 1 1 4 4 A O4' O . -51.0 -21.0 . . . A . 4 A C2' . . A . 4 A C3' . . A . 4 A C4' . . A . 4 A O4' . . . 4 . C2' . . . . . 4 . C3' . . . . . 4 . C4' . . . . . 4 . O4' . . rr_1szy 1 41 . . 1 1 4 4 A C3' C . . 1 1 4 4 A C4' C . . 1 1 4 4 A O4' O . . 1 1 4 4 A C1' C . 6.0 36.0 . . . A . 4 A C3' . . A . 4 A C4' . . A . 4 A O4' . . A . 4 A C1' . . . 4 . C3' . . . . . 4 . C4' . . . . . 4 . O4' . . . . . 4 . C1' . . rr_1szy 1 42 . . 1 1 4 4 A O3' O . . 1 1 5 5 G P P . . 1 1 5 5 G O5' O . . 1 1 5 5 G C5' C . -83.0 -53.0 . . . A . 4 A O3' . . A . 5 G P . . A . 5 G O5' . . A . 5 G C5' . . . 4 . O3' . . . . . 5 . P . . . . . 5 . O5' . . . . . 5 . C5' . . rr_1szy 1 43 . . 1 1 5 5 G P P . . 1 1 5 5 G O5' O . . 1 1 5 5 G C5' C . . 1 1 5 5 G C4' C . 163.0 193.0 . . . A . 5 G P . . A . 5 G O5' . . A . 5 G C5' . . A . 5 G C4' . . . 5 . P . . . . . 5 . O5' . . . . . 5 . C5' . . . . . 5 . C4' . . rr_1szy 1 44 . . 1 1 5 5 G O5' O . . 1 1 5 5 G C5' C . . 1 1 5 5 G C4' C . . 1 1 5 5 G C3' C . 39.0 69.0 . . . A . 5 G O5' . . A . 5 G C5' . . A . 5 G C4' . . A . 5 G C3' . . . 5 . O5' . . . . . 5 . C5' . . . . . 5 . C4' . . . . . 5 . C3' . . rr_1szy 1 45 . . 1 1 5 5 G C4' C . . 1 1 5 5 G C3' C . . 1 1 5 5 G O3' O . . 1 1 6 6 G P P . -168.0 -138.0 . . . A . 5 G C4' . . A . 5 G C3' . . A . 5 G O3' . . A . 6 G P . . . 5 . C4' . . . . . 5 . C3' . . . . . 5 . O3' . . . . . 6 . P . . rr_1szy 1 46 . . 1 1 5 5 G C3' C . . 1 1 5 5 G O3' O . . 1 1 6 6 G P P . . 1 1 6 6 G O5' O . -86.0 -56.0 . . . A . 5 G C3' . . A . 5 G O3' . . A . 6 G P . . A . 6 G O5' . . . 5 . C3' . . . . . 5 . O3' . . . . . 6 . P . . . . . 6 . O5' . . rr_1szy 1 47 . . 1 1 5 5 G O4' O . . 1 1 5 5 G C1' C . . 1 1 5 5 G N9 N . . 1 1 5 5 G C4 C . -173.0 -143.0 . . . A . 5 G O4' . . A . 5 G C1' . . A . 5 G N9 . . A . 5 G C4 . . . 5 . O4' . . . . . 5 . C1' . . . . . 5 . N9 . . . . . 5 . C4 . . rr_1szy 1 48 . . 1 1 5 5 G C4' C . . 1 1 5 5 G O4' O . . 1 1 5 5 G C1' C . . 1 1 5 5 G C2' C . -12.0 18.0 . . . A . 5 G C4' . . A . 5 G O4' . . A . 5 G C1' . . A . 5 G C2' . . . 5 . C4' . . . . . 5 . O4' . . . . . 5 . C1' . . . . . 5 . C2' . . rr_1szy 1 49 . . 1 1 5 5 G O4' O . . 1 1 5 5 G C1' C . . 1 1 5 5 G C2' C . . 1 1 5 5 G C3' C . -40.0 -10.0 . . . A . 5 G O4' . . A . 5 G C1' . . A . 5 G C2' . . A . 5 G C3' . . . 5 . O4' . . . . . 5 . C1' . . . . . 5 . C2' . . . . . 5 . C3' . . rr_1szy 1 50 . . 1 1 5 5 G C1' C . . 1 1 5 5 G C2' C . . 1 1 5 5 G C3' C . . 1 1 5 5 G C4' C . 22.0 52.0 . . . A . 5 G C1' . . A . 5 G C2' . . A . 5 G C3' . . A . 5 G C4' . . . 5 . C1' . . . . . 5 . C2' . . . . . 5 . C3' . . . . . 5 . C4' . . rr_1szy 1 51 . . 1 1 5 5 G C2' C . . 1 1 5 5 G C3' C . . 1 1 5 5 G C4' C . . 1 1 5 5 G O4' O . -51.0 -21.0 . . . A . 5 G C2' . . A . 5 G C3' . . A . 5 G C4' . . A . 5 G O4' . . . 5 . C2' . . . . . 5 . C3' . . . . . 5 . C4' . . . . . 5 . O4' . . rr_1szy 1 52 . . 1 1 5 5 G C3' C . . 1 1 5 5 G C4' C . . 1 1 5 5 G O4' O . . 1 1 5 5 G C1' C . 6.0 36.0 . . . A . 5 G C3' . . A . 5 G C4' . . A . 5 G O4' . . A . 5 G C1' . . . 5 . C3' . . . . . 5 . C4' . . . . . 5 . O4' . . . . . 5 . C1' . . rr_1szy 1 53 . . 1 1 5 5 G O3' O . . 1 1 6 6 G P P . . 1 1 6 6 G O5' O . . 1 1 6 6 G C5' C . -83.0 -53.0 . . . A . 5 G O3' . . A . 6 G P . . A . 6 G O5' . . A . 6 G C5' . . . 5 . O3' . . . . . 6 . P . . . . . 6 . O5' . . . . . 6 . C5' . . rr_1szy 1 54 . . 1 1 6 6 G P P . . 1 1 6 6 G O5' O . . 1 1 6 6 G C5' C . . 1 1 6 6 G C4' C . 163.0 193.0 . . . A . 6 G P . . A . 6 G O5' . . A . 6 G C5' . . A . 6 G C4' . . . 6 . P . . . . . 6 . O5' . . . . . 6 . C5' . . . . . 6 . C4' . . rr_1szy 1 55 . . 1 1 6 6 G O5' O . . 1 1 6 6 G C5' C . . 1 1 6 6 G C4' C . . 1 1 6 6 G C3' C . 39.0 69.0 . . . A . 6 G O5' . . A . 6 G C5' . . A . 6 G C4' . . A . 6 G C3' . . . 6 . O5' . . . . . 6 . C5' . . . . . 6 . C4' . . . . . 6 . C3' . . rr_1szy 1 56 . . 1 1 6 6 G C4' C . . 1 1 6 6 G C3' C . . 1 1 6 6 G O3' O . . 1 1 7 7 G P P . -168.0 -138.0 . . . A . 6 G C4' . . A . 6 G C3' . . A . 6 G O3' . . A . 7 G P . . . 6 . C4' . . . . . 6 . C3' . . . . . 6 . O3' . . . . . 7 . P . . rr_1szy 1 57 . . 1 1 6 6 G C3' C . . 1 1 6 6 G O3' O . . 1 1 7 7 G P P . . 1 1 7 7 G O5' O . -86.0 -56.0 . . . A . 6 G C3' . . A . 6 G O3' . . A . 7 G P . . A . 7 G O5' . . . 6 . C3' . . . . . 6 . O3' . . . . . 7 . P . . . . . 7 . O5' . . rr_1szy 1 58 . . 1 1 6 6 G O4' O . . 1 1 6 6 G C1' C . . 1 1 6 6 G N9 N . . 1 1 6 6 G C4 C . -173.0 -143.0 . . . A . 6 G O4' . . A . 6 G C1' . . A . 6 G N9 . . A . 6 G C4 . . . 6 . O4' . . . . . 6 . C1' . . . . . 6 . N9 . . . . . 6 . C4 . . rr_1szy 1 59 . . 1 1 6 6 G C4' C . . 1 1 6 6 G O4' O . . 1 1 6 6 G C1' C . . 1 1 6 6 G C2' C . -12.0 18.0 . . . A . 6 G C4' . . A . 6 G O4' . . A . 6 G C1' . . A . 6 G C2' . . . 6 . C4' . . . . . 6 . O4' . . . . . 6 . C1' . . . . . 6 . C2' . . rr_1szy 1 60 . . 1 1 6 6 G O4' O . . 1 1 6 6 G C1' C . . 1 1 6 6 G C2' C . . 1 1 6 6 G C3' C . -40.0 -10.0 . . . A . 6 G O4' . . A . 6 G C1' . . A . 6 G C2' . . A . 6 G C3' . . . 6 . O4' . . . . . 6 . C1' . . . . . 6 . C2' . . . . . 6 . C3' . . rr_1szy 1 61 . . 1 1 6 6 G C1' C . . 1 1 6 6 G C2' C . . 1 1 6 6 G C3' C . . 1 1 6 6 G C4' C . 22.0 52.0 . . . A . 6 G C1' . . A . 6 G C2' . . A . 6 G C3' . . A . 6 G C4' . . . 6 . C1' . . . . . 6 . C2' . . . . . 6 . C3' . . . . . 6 . C4' . . rr_1szy 1 62 . . 1 1 6 6 G C2' C . . 1 1 6 6 G C3' C . . 1 1 6 6 G C4' C . . 1 1 6 6 G O4' O . -51.0 -21.0 . . . A . 6 G C2' . . A . 6 G C3' . . A . 6 G C4' . . A . 6 G O4' . . . 6 . C2' . . . . . 6 . C3' . . . . . 6 . C4' . . . . . 6 . O4' . . rr_1szy 1 63 . . 1 1 6 6 G C3' C . . 1 1 6 6 G C4' C . . 1 1 6 6 G O4' O . . 1 1 6 6 G C1' C . 6.0 36.0 . . . A . 6 G C3' . . A . 6 G C4' . . A . 6 G O4' . . A . 6 G C1' . . . 6 . C3' . . . . . 6 . C4' . . . . . 6 . O4' . . . . . 6 . C1' . . rr_1szy 1 64 . . 1 1 6 6 G O3' O . . 1 1 7 7 G P P . . 1 1 7 7 G O5' O . . 1 1 7 7 G C5' C . -83.0 -53.0 . . . A . 6 G O3' . . A . 7 G P . . A . 7 G O5' . . A . 7 G C5' . . . 6 . O3' . . . . . 7 . P . . . . . 7 . O5' . . . . . 7 . C5' . . rr_1szy 1 65 . . 1 1 7 7 G P P . . 1 1 7 7 G O5' O . . 1 1 7 7 G C5' C . . 1 1 7 7 G C4' C . 163.0 193.0 . . . A . 7 G P . . A . 7 G O5' . . A . 7 G C5' . . A . 7 G C4' . . . 7 . P . . . . . 7 . O5' . . . . . 7 . C5' . . . . . 7 . C4' . . rr_1szy 1 66 . . 1 1 7 7 G O5' O . . 1 1 7 7 G C5' C . . 1 1 7 7 G C4' C . . 1 1 7 7 G C3' C . 39.0 69.0 . . . A . 7 G O5' . . A . 7 G C5' . . A . 7 G C4' . . A . 7 G C3' . . . 7 . O5' . . . . . 7 . C5' . . . . . 7 . C4' . . . . . 7 . C3' . . rr_1szy 1 67 . . 1 1 7 7 G C4' C . . 1 1 7 7 G C3' C . . 1 1 7 7 G O3' O . . 1 1 8 8 C P P . -168.0 -138.0 . . . A . 7 G C4' . . A . 7 G C3' . . A . 7 G O3' . . A . 8 C P . . . 7 . C4' . . . . . 7 . C3' . . . . . 7 . O3' . . . . . 8 . P . . rr_1szy 1 68 . . 1 1 7 7 G C3' C . . 1 1 7 7 G O3' O . . 1 1 8 8 C P P . . 1 1 8 8 C O5' O . -86.0 -56.0 . . . A . 7 G C3' . . A . 7 G O3' . . A . 8 C P . . A . 8 C O5' . . . 7 . C3' . . . . . 7 . O3' . . . . . 8 . P . . . . . 8 . O5' . . rr_1szy 1 69 . . 1 1 7 7 G O4' O . . 1 1 7 7 G C1' C . . 1 1 7 7 G N9 N . . 1 1 7 7 G C4 C . -173.0 -143.0 . . . A . 7 G O4' . . A . 7 G C1' . . A . 7 G N9 . . A . 7 G C4 . . . 7 . O4' . . . . . 7 . C1' . . . . . 7 . N9 . . . . . 7 . C4 . . rr_1szy 1 70 . . 1 1 7 7 G C4' C . . 1 1 7 7 G O4' O . . 1 1 7 7 G C1' C . . 1 1 7 7 G C2' C . -12.0 18.0 . . . A . 7 G C4' . . A . 7 G O4' . . A . 7 G C1' . . A . 7 G C2' . . . 7 . C4' . . . . . 7 . O4' . . . . . 7 . C1' . . . . . 7 . C2' . . rr_1szy 1 71 . . 1 1 7 7 G O4' O . . 1 1 7 7 G C1' C . . 1 1 7 7 G C2' C . . 1 1 7 7 G C3' C . -40.0 -10.0 . . . A . 7 G O4' . . A . 7 G C1' . . A . 7 G C2' . . A . 7 G C3' . . . 7 . O4' . . . . . 7 . C1' . . . . . 7 . C2' . . . . . 7 . C3' . . rr_1szy 1 72 . . 1 1 7 7 G C1' C . . 1 1 7 7 G C2' C . . 1 1 7 7 G C3' C . . 1 1 7 7 G C4' C . 22.0 52.0 . . . A . 7 G C1' . . A . 7 G C2' . . A . 7 G C3' . . A . 7 G C4' . . . 7 . C1' . . . . . 7 . C2' . . . . . 7 . C3' . . . . . 7 . C4' . . rr_1szy 1 73 . . 1 1 7 7 G C2' C . . 1 1 7 7 G C3' C . . 1 1 7 7 G C4' C . . 1 1 7 7 G O4' O . -51.0 -21.0 . . . A . 7 G C2' . . A . 7 G C3' . . A . 7 G C4' . . A . 7 G O4' . . . 7 . C2' . . . . . 7 . C3' . . . . . 7 . C4' . . . . . 7 . O4' . . rr_1szy 1 74 . . 1 1 7 7 G C3' C . . 1 1 7 7 G C4' C . . 1 1 7 7 G O4' O . . 1 1 7 7 G C1' C . 6.0 36.0 . . . A . 7 G C3' . . A . 7 G C4' . . A . 7 G O4' . . A . 7 G C1' . . . 7 . C3' . . . . . 7 . C4' . . . . . 7 . O4' . . . . . 7 . C1' . . rr_1szy 1 75 . . 1 1 7 7 G O3' O . . 1 1 8 8 C P P . . 1 1 8 8 C O5' O . . 1 1 8 8 C C5' C . -98.0 -38.0 . . . A . 7 G O3' . . A . 8 C P . . A . 8 C O5' . . A . 8 C C5' . . . 7 . O3' . . . . . 8 . P . . . . . 8 . O5' . . . . . 8 . C5' . . rr_1szy 1 76 . . 1 1 8 8 C P P . . 1 1 8 8 C O5' O . . 1 1 8 8 C C5' C . . 1 1 8 8 C C4' C . 148.0 208.0 . . . A . 8 C P . . A . 8 C O5' . . A . 8 C C5' . . A . 8 C C4' . . . 8 . P . . . . . 8 . O5' . . . . . 8 . C5' . . . . . 8 . C4' . . rr_1szy 1 77 . . 1 1 8 8 C O5' O . . 1 1 8 8 C C5' C . . 1 1 8 8 C C4' C . . 1 1 8 8 C C3' C . 24.0 84.0 . . . A . 8 C O5' . . A . 8 C C5' . . A . 8 C C4' . . A . 8 C C3' . . . 8 . O5' . . . . . 8 . C5' . . . . . 8 . C4' . . . . . 8 . C3' . . rr_1szy 1 78 . . 1 1 8 8 C C4' C . . 1 1 8 8 C C3' C . . 1 1 8 8 C O3' O . . 1 1 9 9 U P P . -240.0 0.0 . . . A . 8 C C4' . . A . 8 C C3' . . A . 8 C O3' . . A . 9 U P . . . 8 . C4' . . . . . 8 . C3' . . . . . 8 . O3' . . . . . 9 . P . . rr_1szy 1 79 . . 1 1 8 8 C C3' C . . 1 1 8 8 C O3' O . . 1 1 9 9 U P P . . 1 1 9 9 U O5' O . -101.0 -41.0 . . . A . 8 C C3' . . A . 8 C O3' . . A . 9 U P . . A . 9 U O5' . . . 8 . C3' . . . . . 8 . O3' . . . . . 9 . P . . . . . 9 . O5' . . rr_1szy 1 80 . . 1 1 8 8 C O4' O . . 1 1 8 8 C C1' C . . 1 1 8 8 C N1 N . . 1 1 8 8 C C2 C . -188.0 -128.0 . . . A . 8 C O4' . . A . 8 C C1' . . A . 8 C N1 . . A . 8 C C2 . . . 8 . O4' . . . . . 8 . C1' . . . . . 8 . N1 . . . . . 8 . C2 . . rr_1szy 1 81 . . 1 1 8 8 C C4' C . . 1 1 8 8 C O4' O . . 1 1 8 8 C C1' C . . 1 1 8 8 C C2' C . -27.0 33.0 . . . A . 8 C C4' . . A . 8 C O4' . . A . 8 C C1' . . A . 8 C C2' . . . 8 . C4' . . . . . 8 . O4' . . . . . 8 . C1' . . . . . 8 . C2' . . rr_1szy 1 82 . . 1 1 8 8 C O4' O . . 1 1 8 8 C C1' C . . 1 1 8 8 C C2' C . . 1 1 8 8 C C3' C . -55.0 5.0 . . . A . 8 C O4' . . A . 8 C C1' . . A . 8 C C2' . . A . 8 C C3' . . . 8 . O4' . . . . . 8 . C1' . . . . . 8 . C2' . . . . . 8 . C3' . . rr_1szy 1 83 . . 1 1 8 8 C C1' C . . 1 1 8 8 C C2' C . . 1 1 8 8 C C3' C . . 1 1 8 8 C C4' C . 7.0 67.0 . . . A . 8 C C1' . . A . 8 C C2' . . A . 8 C C3' . . A . 8 C C4' . . . 8 . C1' . . . . . 8 . C2' . . . . . 8 . C3' . . . . . 8 . C4' . . rr_1szy 1 84 . . 1 1 8 8 C C2' C . . 1 1 8 8 C C3' C . . 1 1 8 8 C C4' C . . 1 1 8 8 C O4' O . -66.0 -6.0 . . . A . 8 C C2' . . A . 8 C C3' . . A . 8 C C4' . . A . 8 C O4' . . . 8 . C2' . . . . . 8 . C3' . . . . . 8 . C4' . . . . . 8 . O4' . . rr_1szy 1 85 . . 1 1 8 8 C C3' C . . 1 1 8 8 C C4' C . . 1 1 8 8 C O4' O . . 1 1 8 8 C C1' C . -9.0 51.0 . . . A . 8 C C3' . . A . 8 C C4' . . A . 8 C O4' . . A . 8 C C1' . . . 8 . C3' . . . . . 8 . C4' . . . . . 8 . O4' . . . . . 8 . C1' . . rr_1szy 1 86 . . 1 1 8 8 C O3' O . . 1 1 9 9 U P P . . 1 1 9 9 U O5' O . . 1 1 9 9 U C5' C . -98.0 -38.0 . . . A . 8 C O3' . . A . 9 U P . . A . 9 U O5' . . A . 9 U C5' . . . 8 . O3' . . . . . 9 . P . . . . . 9 . O5' . . . . . 9 . C5' . . rr_1szy 1 87 . . 1 1 9 9 U P P . . 1 1 9 9 U O5' O . . 1 1 9 9 U C5' C . . 1 1 9 9 U C4' C . 148.0 208.0 . . . A . 9 U P . . A . 9 U O5' . . A . 9 U C5' . . A . 9 U C4' . . . 9 . P . . . . . 9 . O5' . . . . . 9 . C5' . . . . . 9 . C4' . . rr_1szy 1 88 . . 1 1 9 9 U O5' O . . 1 1 9 9 U C5' C . . 1 1 9 9 U C4' C . . 1 1 9 9 U C3' C . 24.0 84.0 . . . A . 9 U O5' . . A . 9 U C5' . . A . 9 U C4' . . A . 9 U C3' . . . 9 . O5' . . . . . 9 . C5' . . . . . 9 . C4' . . . . . 9 . C3' . . rr_1szy 1 89 . . 1 1 9 9 U C4' C . . 1 1 9 9 U C3' C . . 1 1 9 9 U O3' O . . 1 1 10 10 C P P . -240.0 0.0 . . . A . 9 U C4' . . A . 9 U C3' . . A . 9 U O3' . . A . 10 C P . . . 9 . C4' . . . . . 9 . C3' . . . . . 9 . O3' . . . . . 10 . P . . rr_1szy 1 90 . . 1 1 9 9 U O4' O . . 1 1 9 9 U C1' C . . 1 1 9 9 U N1 N . . 1 1 9 9 U C2 C . -188.0 -128.0 . . . A . 9 U O4' . . A . 9 U C1' . . A . 9 U N1 . . A . 9 U C2 . . . 9 . O4' . . . . . 9 . C1' . . . . . 9 . N1 . . . . . 9 . C2 . . rr_1szy 1 91 . . 1 1 9 9 U C4' C . . 1 1 9 9 U O4' O . . 1 1 9 9 U C1' C . . 1 1 9 9 U C2' C . -27.0 33.0 . . . A . 9 U C4' . . A . 9 U O4' . . A . 9 U C1' . . A . 9 U C2' . . . 9 . C4' . . . . . 9 . O4' . . . . . 9 . C1' . . . . . 9 . C2' . . rr_1szy 1 92 . . 1 1 9 9 U O4' O . . 1 1 9 9 U C1' C . . 1 1 9 9 U C2' C . . 1 1 9 9 U C3' C . -55.0 5.0 . . . A . 9 U O4' . . A . 9 U C1' . . A . 9 U C2' . . A . 9 U C3' . . . 9 . O4' . . . . . 9 . C1' . . . . . 9 . C2' . . . . . 9 . C3' . . rr_1szy 1 93 . . 1 1 9 9 U C1' C . . 1 1 9 9 U C2' C . . 1 1 9 9 U C3' C . . 1 1 9 9 U C4' C . 7.0 67.0 . . . A . 9 U C1' . . A . 9 U C2' . . A . 9 U C3' . . A . 9 U C4' . . . 9 . C1' . . . . . 9 . C2' . . . . . 9 . C3' . . . . . 9 . C4' . . rr_1szy 1 94 . . 1 1 9 9 U C2' C . . 1 1 9 9 U C3' C . . 1 1 9 9 U C4' C . . 1 1 9 9 U O4' O . -66.0 -6.0 . . . A . 9 U C2' . . A . 9 U C3' . . A . 9 U C4' . . A . 9 U O4' . . . 9 . C2' . . . . . 9 . C3' . . . . . 9 . C4' . . . . . 9 . O4' . . rr_1szy 1 95 . . 1 1 9 9 U C3' C . . 1 1 9 9 U C4' C . . 1 1 9 9 U O4' O . . 1 1 9 9 U C1' C . -9.0 51.0 . . . A . 9 U C3' . . A . 9 U C4' . . A . 9 U O4' . . A . 9 U C1' . . . 9 . C3' . . . . . 9 . C4' . . . . . 9 . O4' . . . . . 9 . C1' . . rr_1szy 1 96 . . 1 1 10 10 C P P . . 1 1 10 10 C O5' O . . 1 1 10 10 C C5' C . . 1 1 10 10 C C4' C . 148.0 208.0 . . . A . 10 C P . . A . 10 C O5' . . A . 10 C C5' . . A . 10 C C4' . . . 10 . P . . . . . 10 . O5' . . . . . 10 . C5' . . . . . 10 . C4' . . rr_1szy 1 97 . . 1 1 10 10 C O5' O . . 1 1 10 10 C C5' C . . 1 1 10 10 C C4' C . . 1 1 10 10 C C3' C . 24.0 84.0 . . . A . 10 C O5' . . A . 10 C C5' . . A . 10 C C4' . . A . 10 C C3' . . . 10 . O5' . . . . . 10 . C5' . . . . . 10 . C4' . . . . . 10 . C3' . . rr_1szy 1 98 . . 1 1 10 10 C C4' C . . 1 1 10 10 C C3' C . . 1 1 10 10 C O3' O . . 1 1 11 11 A P P . -240.0 0.0 . . . A . 10 C C4' . . A . 10 C C3' . . A . 10 C O3' . . A . 11 A P . . . 10 . C4' . . . . . 10 . C3' . . . . . 10 . O3' . . . . . 11 . P . . rr_1szy 1 99 . . 1 1 10 10 C O4' O . . 1 1 10 10 C C1' C . . 1 1 10 10 C N1 N . . 1 1 10 10 C C2 C . -188.0 -128.0 . . . A . 10 C O4' . . A . 10 C C1' . . A . 10 C N1 . . A . 10 C C2 . . . 10 . O4' . . . . . 10 . C1' . . . . . 10 . N1 . . . . . 10 . C2 . . rr_1szy 1 100 . . 1 1 11 11 A P P . . 1 1 11 11 A O5' O . . 1 1 11 11 A C5' C . . 1 1 11 11 A C4' C . 148.0 208.0 . . . A . 11 A P . . A . 11 A O5' . . A . 11 A C5' . . A . 11 A C4' . . . 11 . P . . . . . 11 . O5' . . . . . 11 . C5' . . . . . 11 . C4' . . rr_1szy 1 101 . . 1 1 11 11 A C4' C . . 1 1 11 11 A C3' C . . 1 1 11 11 A O3' O . . 1 1 12 12 U P P . -240.0 0.0 . . . A . 11 A C4' . . A . 11 A C3' . . A . 11 A O3' . . A . 12 U P . . . 11 . C4' . . . . . 11 . C3' . . . . . 11 . O3' . . . . . 12 . P . . rr_1szy 1 102 . . 1 1 11 11 A C3' C . . 1 1 11 11 A O3' O . . 1 1 12 12 U P P . . 1 1 12 12 U O5' O . -101.0 -41.0 . . . A . 11 A C3' . . A . 11 A O3' . . A . 12 U P . . A . 12 U O5' . . . 11 . C3' . . . . . 11 . O3' . . . . . 12 . P . . . . . 12 . O5' . . rr_1szy 1 103 . . 1 1 11 11 A O4' O . . 1 1 11 11 A C1' C . . 1 1 11 11 A N9 N . . 1 1 11 11 A C4 C . -188.0 -128.0 . . . A . 11 A O4' . . A . 11 A C1' . . A . 11 A N9 . . A . 11 A C4 . . . 11 . O4' . . . . . 11 . C1' . . . . . 11 . N9 . . . . . 11 . C4 . . rr_1szy 1 104 . . 1 1 11 11 A O3' O . . 1 1 12 12 U P P . . 1 1 12 12 U O5' O . . 1 1 12 12 U C5' C . -98.0 -38.0 . . . A . 11 A O3' . . A . 12 U P . . A . 12 U O5' . . A . 12 U C5' . . . 11 . O3' . . . . . 12 . P . . . . . 12 . O5' . . . . . 12 . C5' . . rr_1szy 1 105 . . 1 1 12 12 U P P . . 1 1 12 12 U O5' O . . 1 1 12 12 U C5' C . . 1 1 12 12 U C4' C . 148.0 208.0 . . . A . 12 U P . . A . 12 U O5' . . A . 12 U C5' . . A . 12 U C4' . . . 12 . P . . . . . 12 . O5' . . . . . 12 . C5' . . . . . 12 . C4' . . rr_1szy 1 106 . . 1 1 12 12 U C4' C . . 1 1 12 12 U C3' C . . 1 1 12 12 U O3' O . . 1 1 13 13 A P P . -240.0 0.0 . . . A . 12 U C4' . . A . 12 U C3' . . A . 12 U O3' . . A . 13 A P . . . 12 . C4' . . . . . 12 . C3' . . . . . 12 . O3' . . . . . 13 . P . . rr_1szy 1 107 . . 1 1 12 12 U O4' O . . 1 1 12 12 U C1' C . . 1 1 12 12 U N1 N . . 1 1 12 12 U C2 C . -188.0 -128.0 . . . A . 12 U O4' . . A . 12 U C1' . . A . 12 U N1 . . A . 12 U C2 . . . 12 . O4' . . . . . 12 . C1' . . . . . 12 . N1 . . . . . 12 . C2 . . rr_1szy 1 108 . . 1 1 12 12 U C4' C . . 1 1 12 12 U O4' O . . 1 1 12 12 U C1' C . . 1 1 12 12 U C2' C . -51.7 8.3 . . . A . 12 U C4' . . A . 12 U O4' . . A . 12 U C1' . . A . 12 U C2' . . . 12 . C4' . . . . . 12 . O4' . . . . . 12 . C1' . . . . . 12 . C2' . . rr_1szy 1 109 . . 1 1 12 12 U O4' O . . 1 1 12 12 U C1' C . . 1 1 12 12 U C2' C . . 1 1 12 12 U C3' C . 5.2 65.2 . . . A . 12 U O4' . . A . 12 U C1' . . A . 12 U C2' . . A . 12 U C3' . . . 12 . O4' . . . . . 12 . C1' . . . . . 12 . C2' . . . . . 12 . C3' . . rr_1szy 1 110 . . 1 1 12 12 U C1' C . . 1 1 12 12 U C2' C . . 1 1 12 12 U C3' C . . 1 1 12 12 U C4' C . -65.2 -5.2 . . . A . 12 U C1' . . A . 12 U C2' . . A . 12 U C3' . . A . 12 U C4' . . . 12 . C1' . . . . . 12 . C2' . . . . . 12 . C3' . . . . . 12 . C4' . . rr_1szy 1 111 . . 1 1 12 12 U C2' C . . 1 1 12 12 U C3' C . . 1 1 12 12 U C4' C . . 1 1 12 12 U O4' O . -8.2 51.8 . . . A . 12 U C2' . . A . 12 U C3' . . A . 12 U C4' . . A . 12 U O4' . . . 12 . C2' . . . . . 12 . C3' . . . . . 12 . C4' . . . . . 12 . O4' . . rr_1szy 1 112 . . 1 1 12 12 U C3' C . . 1 1 12 12 U C4' C . . 1 1 12 12 U O4' O . . 1 1 12 12 U C1' C . -30.0 30.0 . . . A . 12 U C3' . . A . 12 U C4' . . A . 12 U O4' . . A . 12 U C1' . . . 12 . C3' . . . . . 12 . C4' . . . . . 12 . O4' . . . . . 12 . C1' . . rr_1szy 1 113 . . 1 1 13 13 A P P . . 1 1 13 13 A O5' O . . 1 1 13 13 A C5' C . . 1 1 13 13 A C4' C . 148.0 208.0 . . . A . 13 A P . . A . 13 A O5' . . A . 13 A C5' . . A . 13 A C4' . . . 13 . P . . . . . 13 . O5' . . . . . 13 . C5' . . . . . 13 . C4' . . rr_1szy 1 114 . . 1 1 13 13 A O5' O . . 1 1 13 13 A C5' C . . 1 1 13 13 A C4' C . . 1 1 13 13 A C3' C . 24.0 84.0 . . . A . 13 A O5' . . A . 13 A C5' . . A . 13 A C4' . . A . 13 A C3' . . . 13 . O5' . . . . . 13 . C5' . . . . . 13 . C4' . . . . . 13 . C3' . . rr_1szy 1 115 . . 1 1 13 13 A C4' C . . 1 1 13 13 A C3' C . . 1 1 13 13 A O3' O . . 1 1 14 14 A P P . -240.0 0.0 . . . A . 13 A C4' . . A . 13 A C3' . . A . 13 A O3' . . A . 14 A P . . . 13 . C4' . . . . . 13 . C3' . . . . . 13 . O3' . . . . . 14 . P . . rr_1szy 1 116 . . 1 1 13 13 A C3' C . . 1 1 13 13 A O3' O . . 1 1 14 14 A P P . . 1 1 14 14 A O5' O . -101.0 -41.0 . . . A . 13 A C3' . . A . 13 A O3' . . A . 14 A P . . A . 14 A O5' . . . 13 . C3' . . . . . 13 . O3' . . . . . 14 . P . . . . . 14 . O5' . . rr_1szy 1 117 . . 1 1 13 13 A O4' O . . 1 1 13 13 A C1' C . . 1 1 13 13 A N9 N . . 1 1 13 13 A C4 C . -188.0 -128.0 . . . A . 13 A O4' . . A . 13 A C1' . . A . 13 A N9 . . A . 13 A C4 . . . 13 . O4' . . . . . 13 . C1' . . . . . 13 . N9 . . . . . 13 . C4 . . rr_1szy 1 118 . . 1 1 13 13 A O3' O . . 1 1 14 14 A P P . . 1 1 14 14 A O5' O . . 1 1 14 14 A C5' C . -98.0 -38.0 . . . A . 13 A O3' . . A . 14 A P . . A . 14 A O5' . . A . 14 A C5' . . . 13 . O3' . . . . . 14 . P . . . . . 14 . O5' . . . . . 14 . C5' . . rr_1szy 1 119 . . 1 1 14 14 A P P . . 1 1 14 14 A O5' O . . 1 1 14 14 A C5' C . . 1 1 14 14 A C4' C . 148.0 208.0 . . . A . 14 A P . . A . 14 A O5' . . A . 14 A C5' . . A . 14 A C4' . . . 14 . P . . . . . 14 . O5' . . . . . 14 . C5' . . . . . 14 . C4' . . rr_1szy 1 120 . . 1 1 14 14 A O5' O . . 1 1 14 14 A C5' C . . 1 1 14 14 A C4' C . . 1 1 14 14 A C3' C . 24.0 84.0 . . . A . 14 A O5' . . A . 14 A C5' . . A . 14 A C4' . . A . 14 A C3' . . . 14 . O5' . . . . . 14 . C5' . . . . . 14 . C4' . . . . . 14 . C3' . . rr_1szy 1 121 . . 1 1 14 14 A C4' C . . 1 1 14 14 A C3' C . . 1 1 14 14 A O3' O . . 1 1 15 15 C P P . -240.0 0.0 . . . A . 14 A C4' . . A . 14 A C3' . . A . 14 A O3' . . A . 15 C P . . . 14 . C4' . . . . . 14 . C3' . . . . . 14 . O3' . . . . . 15 . P . . rr_1szy 1 122 . . 1 1 14 14 A C3' C . . 1 1 14 14 A O3' O . . 1 1 15 15 C P P . . 1 1 15 15 C O5' O . -101.0 -41.0 . . . A . 14 A C3' . . A . 14 A O3' . . A . 15 C P . . A . 15 C O5' . . . 14 . C3' . . . . . 14 . O3' . . . . . 15 . P . . . . . 15 . O5' . . rr_1szy 1 123 . . 1 1 14 14 A O4' O . . 1 1 14 14 A C1' C . . 1 1 14 14 A N9 N . . 1 1 14 14 A C4 C . -188.0 -128.0 . . . A . 14 A O4' . . A . 14 A C1' . . A . 14 A N9 . . A . 14 A C4 . . . 14 . O4' . . . . . 14 . C1' . . . . . 14 . N9 . . . . . 14 . C4 . . rr_1szy 1 124 . . 1 1 14 14 A C4' C . . 1 1 14 14 A O4' O . . 1 1 14 14 A C1' C . . 1 1 14 14 A C2' C . -27.0 33.0 . . . A . 14 A C4' . . A . 14 A O4' . . A . 14 A C1' . . A . 14 A C2' . . . 14 . C4' . . . . . 14 . O4' . . . . . 14 . C1' . . . . . 14 . C2' . . rr_1szy 1 125 . . 1 1 14 14 A O4' O . . 1 1 14 14 A C1' C . . 1 1 14 14 A C2' C . . 1 1 14 14 A C3' C . -55.0 5.0 . . . A . 14 A O4' . . A . 14 A C1' . . A . 14 A C2' . . A . 14 A C3' . . . 14 . O4' . . . . . 14 . C1' . . . . . 14 . C2' . . . . . 14 . C3' . . rr_1szy 1 126 . . 1 1 14 14 A C1' C . . 1 1 14 14 A C2' C . . 1 1 14 14 A C3' C . . 1 1 14 14 A C4' C . 7.0 67.0 . . . A . 14 A C1' . . A . 14 A C2' . . A . 14 A C3' . . A . 14 A C4' . . . 14 . C1' . . . . . 14 . C2' . . . . . 14 . C3' . . . . . 14 . C4' . . rr_1szy 1 127 . . 1 1 14 14 A C2' C . . 1 1 14 14 A C3' C . . 1 1 14 14 A C4' C . . 1 1 14 14 A O4' O . -66.0 -6.0 . . . A . 14 A C2' . . A . 14 A C3' . . A . 14 A C4' . . A . 14 A O4' . . . 14 . C2' . . . . . 14 . C3' . . . . . 14 . C4' . . . . . 14 . O4' . . rr_1szy 1 128 . . 1 1 14 14 A C3' C . . 1 1 14 14 A C4' C . . 1 1 14 14 A O4' O . . 1 1 14 14 A C1' C . -9.0 51.0 . . . A . 14 A C3' . . A . 14 A C4' . . A . 14 A O4' . . A . 14 A C1' . . . 14 . C3' . . . . . 14 . C4' . . . . . 14 . O4' . . . . . 14 . C1' . . rr_1szy 1 129 . . 1 1 14 14 A O3' O . . 1 1 15 15 C P P . . 1 1 15 15 C O5' O . . 1 1 15 15 C C5' C . -83.0 -53.0 . . . A . 14 A O3' . . A . 15 C P . . A . 15 C O5' . . A . 15 C C5' . . . 14 . O3' . . . . . 15 . P . . . . . 15 . O5' . . . . . 15 . C5' . . rr_1szy 1 130 . . 1 1 15 15 C P P . . 1 1 15 15 C O5' O . . 1 1 15 15 C C5' C . . 1 1 15 15 C C4' C . 163.0 193.0 . . . A . 15 C P . . A . 15 C O5' . . A . 15 C C5' . . A . 15 C C4' . . . 15 . P . . . . . 15 . O5' . . . . . 15 . C5' . . . . . 15 . C4' . . rr_1szy 1 131 . . 1 1 15 15 C O5' O . . 1 1 15 15 C C5' C . . 1 1 15 15 C C4' C . . 1 1 15 15 C C3' C . 39.0 69.0 . . . A . 15 C O5' . . A . 15 C C5' . . A . 15 C C4' . . A . 15 C C3' . . . 15 . O5' . . . . . 15 . C5' . . . . . 15 . C4' . . . . . 15 . C3' . . rr_1szy 1 132 . . 1 1 15 15 C C4' C . . 1 1 15 15 C C3' C . . 1 1 15 15 C O3' O . . 1 1 16 16 C P P . -168.0 -138.0 . . . A . 15 C C4' . . A . 15 C C3' . . A . 15 C O3' . . A . 16 C P . . . 15 . C4' . . . . . 15 . C3' . . . . . 15 . O3' . . . . . 16 . P . . rr_1szy 1 133 . . 1 1 15 15 C C3' C . . 1 1 15 15 C O3' O . . 1 1 16 16 C P P . . 1 1 16 16 C O5' O . -86.0 -56.0 . . . A . 15 C C3' . . A . 15 C O3' . . A . 16 C P . . A . 16 C O5' . . . 15 . C3' . . . . . 15 . O3' . . . . . 16 . P . . . . . 16 . O5' . . rr_1szy 1 134 . . 1 1 15 15 C O4' O . . 1 1 15 15 C C1' C . . 1 1 15 15 C N1 N . . 1 1 15 15 C C2 C . -173.0 -143.0 . . . A . 15 C O4' . . A . 15 C C1' . . A . 15 C N1 . . A . 15 C C2 . . . 15 . O4' . . . . . 15 . C1' . . . . . 15 . N1 . . . . . 15 . C2 . . rr_1szy 1 135 . . 1 1 15 15 C C4' C . . 1 1 15 15 C O4' O . . 1 1 15 15 C C1' C . . 1 1 15 15 C C2' C . -12.0 18.0 . . . A . 15 C C4' . . A . 15 C O4' . . A . 15 C C1' . . A . 15 C C2' . . . 15 . C4' . . . . . 15 . O4' . . . . . 15 . C1' . . . . . 15 . C2' . . rr_1szy 1 136 . . 1 1 15 15 C O4' O . . 1 1 15 15 C C1' C . . 1 1 15 15 C C2' C . . 1 1 15 15 C C3' C . -40.0 -10.0 . . . A . 15 C O4' . . A . 15 C C1' . . A . 15 C C2' . . A . 15 C C3' . . . 15 . O4' . . . . . 15 . C1' . . . . . 15 . C2' . . . . . 15 . C3' . . rr_1szy 1 137 . . 1 1 15 15 C C1' C . . 1 1 15 15 C C2' C . . 1 1 15 15 C C3' C . . 1 1 15 15 C C4' C . 22.0 52.0 . . . A . 15 C C1' . . A . 15 C C2' . . A . 15 C C3' . . A . 15 C C4' . . . 15 . C1' . . . . . 15 . C2' . . . . . 15 . C3' . . . . . 15 . C4' . . rr_1szy 1 138 . . 1 1 15 15 C C2' C . . 1 1 15 15 C C3' C . . 1 1 15 15 C C4' C . . 1 1 15 15 C O4' O . -51.0 -21.0 . . . A . 15 C C2' . . A . 15 C C3' . . A . 15 C C4' . . A . 15 C O4' . . . 15 . C2' . . . . . 15 . C3' . . . . . 15 . C4' . . . . . 15 . O4' . . rr_1szy 1 139 . . 1 1 15 15 C C3' C . . 1 1 15 15 C C4' C . . 1 1 15 15 C O4' O . . 1 1 15 15 C C1' C . 6.0 36.0 . . . A . 15 C C3' . . A . 15 C C4' . . A . 15 C O4' . . A . 15 C C1' . . . 15 . C3' . . . . . 15 . C4' . . . . . 15 . O4' . . . . . 15 . C1' . . rr_1szy 1 140 . . 1 1 15 15 C O3' O . . 1 1 16 16 C P P . . 1 1 16 16 C O5' O . . 1 1 16 16 C C5' C . -83.0 -53.0 . . . A . 15 C O3' . . A . 16 C P . . A . 16 C O5' . . A . 16 C C5' . . . 15 . O3' . . . . . 16 . P . . . . . 16 . O5' . . . . . 16 . C5' . . rr_1szy 1 141 . . 1 1 16 16 C P P . . 1 1 16 16 C O5' O . . 1 1 16 16 C C5' C . . 1 1 16 16 C C4' C . 163.0 193.0 . . . A . 16 C P . . A . 16 C O5' . . A . 16 C C5' . . A . 16 C C4' . . . 16 . P . . . . . 16 . O5' . . . . . 16 . C5' . . . . . 16 . C4' . . rr_1szy 1 142 . . 1 1 16 16 C O5' O . . 1 1 16 16 C C5' C . . 1 1 16 16 C C4' C . . 1 1 16 16 C C3' C . 39.0 69.0 . . . A . 16 C O5' . . A . 16 C C5' . . A . 16 C C4' . . A . 16 C C3' . . . 16 . O5' . . . . . 16 . C5' . . . . . 16 . C4' . . . . . 16 . C3' . . rr_1szy 1 143 . . 1 1 16 16 C C4' C . . 1 1 16 16 C C3' C . . 1 1 16 16 C O3' O . . 1 1 17 17 C P P . -168.0 -138.0 . . . A . 16 C C4' . . A . 16 C C3' . . A . 16 C O3' . . A . 17 C P . . . 16 . C4' . . . . . 16 . C3' . . . . . 16 . O3' . . . . . 17 . P . . rr_1szy 1 144 . . 1 1 16 16 C C3' C . . 1 1 16 16 C O3' O . . 1 1 17 17 C P P . . 1 1 17 17 C O5' O . -86.0 -56.0 . . . A . 16 C C3' . . A . 16 C O3' . . A . 17 C P . . A . 17 C O5' . . . 16 . C3' . . . . . 16 . O3' . . . . . 17 . P . . . . . 17 . O5' . . rr_1szy 1 145 . . 1 1 16 16 C O4' O . . 1 1 16 16 C C1' C . . 1 1 16 16 C N1 N . . 1 1 16 16 C C2 C . -173.0 -143.0 . . . A . 16 C O4' . . A . 16 C C1' . . A . 16 C N1 . . A . 16 C C2 . . . 16 . O4' . . . . . 16 . C1' . . . . . 16 . N1 . . . . . 16 . C2 . . rr_1szy 1 146 . . 1 1 16 16 C C4' C . . 1 1 16 16 C O4' O . . 1 1 16 16 C C1' C . . 1 1 16 16 C C2' C . -12.0 18.0 . . . A . 16 C C4' . . A . 16 C O4' . . A . 16 C C1' . . A . 16 C C2' . . . 16 . C4' . . . . . 16 . O4' . . . . . 16 . C1' . . . . . 16 . C2' . . rr_1szy 1 147 . . 1 1 16 16 C O4' O . . 1 1 16 16 C C1' C . . 1 1 16 16 C C2' C . . 1 1 16 16 C C3' C . -40.0 -10.0 . . . A . 16 C O4' . . A . 16 C C1' . . A . 16 C C2' . . A . 16 C C3' . . . 16 . O4' . . . . . 16 . C1' . . . . . 16 . C2' . . . . . 16 . C3' . . rr_1szy 1 148 . . 1 1 16 16 C C1' C . . 1 1 16 16 C C2' C . . 1 1 16 16 C C3' C . . 1 1 16 16 C C4' C . 22.0 52.0 . . . A . 16 C C1' . . A . 16 C C2' . . A . 16 C C3' . . A . 16 C C4' . . . 16 . C1' . . . . . 16 . C2' . . . . . 16 . C3' . . . . . 16 . C4' . . rr_1szy 1 149 . . 1 1 16 16 C C2' C . . 1 1 16 16 C C3' C . . 1 1 16 16 C C4' C . . 1 1 16 16 C O4' O . -51.0 -21.0 . . . A . 16 C C2' . . A . 16 C C3' . . A . 16 C C4' . . A . 16 C O4' . . . 16 . C2' . . . . . 16 . C3' . . . . . 16 . C4' . . . . . 16 . O4' . . rr_1szy 1 150 . . 1 1 16 16 C C3' C . . 1 1 16 16 C C4' C . . 1 1 16 16 C O4' O . . 1 1 16 16 C C1' C . 6.0 36.0 . . . A . 16 C C3' . . A . 16 C C4' . . A . 16 C O4' . . A . 16 C C1' . . . 16 . C3' . . . . . 16 . C4' . . . . . 16 . O4' . . . . . 16 . C1' . . rr_1szy 1 151 . . 1 1 16 16 C O3' O . . 1 1 17 17 C P P . . 1 1 17 17 C O5' O . . 1 1 17 17 C C5' C . -83.0 -53.0 . . . A . 16 C O3' . . A . 17 C P . . A . 17 C O5' . . A . 17 C C5' . . . 16 . O3' . . . . . 17 . P . . . . . 17 . O5' . . . . . 17 . C5' . . rr_1szy 1 152 . . 1 1 17 17 C P P . . 1 1 17 17 C O5' O . . 1 1 17 17 C C5' C . . 1 1 17 17 C C4' C . 163.0 193.0 . . . A . 17 C P . . A . 17 C O5' . . A . 17 C C5' . . A . 17 C C4' . . . 17 . P . . . . . 17 . O5' . . . . . 17 . C5' . . . . . 17 . C4' . . rr_1szy 1 153 . . 1 1 17 17 C O5' O . . 1 1 17 17 C C5' C . . 1 1 17 17 C C4' C . . 1 1 17 17 C C3' C . 39.0 69.0 . . . A . 17 C O5' . . A . 17 C C5' . . A . 17 C C4' . . A . 17 C C3' . . . 17 . O5' . . . . . 17 . C5' . . . . . 17 . C4' . . . . . 17 . C3' . . rr_1szy 1 154 . . 1 1 17 17 C C4' C . . 1 1 17 17 C C3' C . . 1 1 17 17 C O3' O . . 1 1 18 18 U P P . -168.0 -138.0 . . . A . 17 C C4' . . A . 17 C C3' . . A . 17 C O3' . . A . 18 U P . . . 17 . C4' . . . . . 17 . C3' . . . . . 17 . O3' . . . . . 18 . P . . rr_1szy 1 155 . . 1 1 17 17 C C3' C . . 1 1 17 17 C O3' O . . 1 1 18 18 U P P . . 1 1 18 18 U O5' O . -86.0 -56.0 . . . A . 17 C C3' . . A . 17 C O3' . . A . 18 U P . . A . 18 U O5' . . . 17 . C3' . . . . . 17 . O3' . . . . . 18 . P . . . . . 18 . O5' . . rr_1szy 1 156 . . 1 1 17 17 C O4' O . . 1 1 17 17 C C1' C . . 1 1 17 17 C N1 N . . 1 1 17 17 C C2 C . -173.0 -143.0 . . . A . 17 C O4' . . A . 17 C C1' . . A . 17 C N1 . . A . 17 C C2 . . . 17 . O4' . . . . . 17 . C1' . . . . . 17 . N1 . . . . . 17 . C2 . . rr_1szy 1 157 . . 1 1 17 17 C C4' C . . 1 1 17 17 C O4' O . . 1 1 17 17 C C1' C . . 1 1 17 17 C C2' C . -12.0 18.0 . . . A . 17 C C4' . . A . 17 C O4' . . A . 17 C C1' . . A . 17 C C2' . . . 17 . C4' . . . . . 17 . O4' . . . . . 17 . C1' . . . . . 17 . C2' . . rr_1szy 1 158 . . 1 1 17 17 C O4' O . . 1 1 17 17 C C1' C . . 1 1 17 17 C C2' C . . 1 1 17 17 C C3' C . -40.0 -10.0 . . . A . 17 C O4' . . A . 17 C C1' . . A . 17 C C2' . . A . 17 C C3' . . . 17 . O4' . . . . . 17 . C1' . . . . . 17 . C2' . . . . . 17 . C3' . . rr_1szy 1 159 . . 1 1 17 17 C C1' C . . 1 1 17 17 C C2' C . . 1 1 17 17 C C3' C . . 1 1 17 17 C C4' C . 22.0 52.0 . . . A . 17 C C1' . . A . 17 C C2' . . A . 17 C C3' . . A . 17 C C4' . . . 17 . C1' . . . . . 17 . C2' . . . . . 17 . C3' . . . . . 17 . C4' . . rr_1szy 1 160 . . 1 1 17 17 C C2' C . . 1 1 17 17 C C3' C . . 1 1 17 17 C C4' C . . 1 1 17 17 C O4' O . -51.0 -21.0 . . . A . 17 C C2' . . A . 17 C C3' . . A . 17 C C4' . . A . 17 C O4' . . . 17 . C2' . . . . . 17 . C3' . . . . . 17 . C4' . . . . . 17 . O4' . . rr_1szy 1 161 . . 1 1 17 17 C C3' C . . 1 1 17 17 C C4' C . . 1 1 17 17 C O4' O . . 1 1 17 17 C C1' C . 6.0 36.0 . . . A . 17 C C3' . . A . 17 C C4' . . A . 17 C O4' . . A . 17 C C1' . . . 17 . C3' . . . . . 17 . C4' . . . . . 17 . O4' . . . . . 17 . C1' . . rr_1szy 1 162 . . 1 1 17 17 C O3' O . . 1 1 18 18 U P P . . 1 1 18 18 U O5' O . . 1 1 18 18 U C5' C . -83.0 -53.0 . . . A . 17 C O3' . . A . 18 U P . . A . 18 U O5' . . A . 18 U C5' . . . 17 . O3' . . . . . 18 . P . . . . . 18 . O5' . . . . . 18 . C5' . . rr_1szy 1 163 . . 1 1 18 18 U P P . . 1 1 18 18 U O5' O . . 1 1 18 18 U C5' C . . 1 1 18 18 U C4' C . 163.0 193.0 . . . A . 18 U P . . A . 18 U O5' . . A . 18 U C5' . . A . 18 U C4' . . . 18 . P . . . . . 18 . O5' . . . . . 18 . C5' . . . . . 18 . C4' . . rr_1szy 1 164 . . 1 1 18 18 U O5' O . . 1 1 18 18 U C5' C . . 1 1 18 18 U C4' C . . 1 1 18 18 U C3' C . 39.0 69.0 . . . A . 18 U O5' . . A . 18 U C5' . . A . 18 U C4' . . A . 18 U C3' . . . 18 . O5' . . . . . 18 . C5' . . . . . 18 . C4' . . . . . 18 . C3' . . rr_1szy 1 165 . . 1 1 18 18 U C4' C . . 1 1 18 18 U C3' C . . 1 1 18 18 U O3' O . . 1 1 19 19 G P P . -168.0 -138.0 . . . A . 18 U C4' . . A . 18 U C3' . . A . 18 U O3' . . A . 19 G P . . . 18 . C4' . . . . . 18 . C3' . . . . . 18 . O3' . . . . . 19 . P . . rr_1szy 1 166 . . 1 1 18 18 U C3' C . . 1 1 18 18 U O3' O . . 1 1 19 19 G P P . . 1 1 19 19 G O5' O . -86.0 -56.0 . . . A . 18 U C3' . . A . 18 U O3' . . A . 19 G P . . A . 19 G O5' . . . 18 . C3' . . . . . 18 . O3' . . . . . 19 . P . . . . . 19 . O5' . . rr_1szy 1 167 . . 1 1 18 18 U O4' O . . 1 1 18 18 U C1' C . . 1 1 18 18 U N1 N . . 1 1 18 18 U C2 C . -173.0 -143.0 . . . A . 18 U O4' . . A . 18 U C1' . . A . 18 U N1 . . A . 18 U C2 . . . 18 . O4' . . . . . 18 . C1' . . . . . 18 . N1 . . . . . 18 . C2 . . rr_1szy 1 168 . . 1 1 18 18 U C4' C . . 1 1 18 18 U O4' O . . 1 1 18 18 U C1' C . . 1 1 18 18 U C2' C . -12.0 18.0 . . . A . 18 U C4' . . A . 18 U O4' . . A . 18 U C1' . . A . 18 U C2' . . . 18 . C4' . . . . . 18 . O4' . . . . . 18 . C1' . . . . . 18 . C2' . . rr_1szy 1 169 . . 1 1 18 18 U O4' O . . 1 1 18 18 U C1' C . . 1 1 18 18 U C2' C . . 1 1 18 18 U C3' C . -40.0 -10.0 . . . A . 18 U O4' . . A . 18 U C1' . . A . 18 U C2' . . A . 18 U C3' . . . 18 . O4' . . . . . 18 . C1' . . . . . 18 . C2' . . . . . 18 . C3' . . rr_1szy 1 170 . . 1 1 18 18 U C1' C . . 1 1 18 18 U C2' C . . 1 1 18 18 U C3' C . . 1 1 18 18 U C4' C . 22.0 52.0 . . . A . 18 U C1' . . A . 18 U C2' . . A . 18 U C3' . . A . 18 U C4' . . . 18 . C1' . . . . . 18 . C2' . . . . . 18 . C3' . . . . . 18 . C4' . . rr_1szy 1 171 . . 1 1 18 18 U C2' C . . 1 1 18 18 U C3' C . . 1 1 18 18 U C4' C . . 1 1 18 18 U O4' O . -51.0 -21.0 . . . A . 18 U C2' . . A . 18 U C3' . . A . 18 U C4' . . A . 18 U O4' . . . 18 . C2' . . . . . 18 . C3' . . . . . 18 . C4' . . . . . 18 . O4' . . rr_1szy 1 172 . . 1 1 18 18 U C3' C . . 1 1 18 18 U C4' C . . 1 1 18 18 U O4' O . . 1 1 18 18 U C1' C . 6.0 36.0 . . . A . 18 U C3' . . A . 18 U C4' . . A . 18 U O4' . . A . 18 U C1' . . . 18 . C3' . . . . . 18 . C4' . . . . . 18 . O4' . . . . . 18 . C1' . . rr_1szy 1 173 . . 1 1 18 18 U O3' O . . 1 1 19 19 G P P . . 1 1 19 19 G O5' O . . 1 1 19 19 G C5' C . -83.0 -53.0 . . . A . 18 U O3' . . A . 19 G P . . A . 19 G O5' . . A . 19 G C5' . . . 18 . O3' . . . . . 19 . P . . . . . 19 . O5' . . . . . 19 . C5' . . rr_1szy 1 174 . . 1 1 19 19 G P P . . 1 1 19 19 G O5' O . . 1 1 19 19 G C5' C . . 1 1 19 19 G C4' C . 163.0 193.0 . . . A . 19 G P . . A . 19 G O5' . . A . 19 G C5' . . A . 19 G C4' . . . 19 . P . . . . . 19 . O5' . . . . . 19 . C5' . . . . . 19 . C4' . . rr_1szy 1 175 . . 1 1 19 19 G O5' O . . 1 1 19 19 G C5' C . . 1 1 19 19 G C4' C . . 1 1 19 19 G C3' C . 39.0 69.0 . . . A . 19 G O5' . . A . 19 G C5' . . A . 19 G C4' . . A . 19 G C3' . . . 19 . O5' . . . . . 19 . C5' . . . . . 19 . C4' . . . . . 19 . C3' . . rr_1szy 1 176 . . 1 1 19 19 G C4' C . . 1 1 19 19 G C3' C . . 1 1 19 19 G O3' O . . 1 1 20 20 C P P . -168.0 -138.0 . . . A . 19 G C4' . . A . 19 G C3' . . A . 19 G O3' . . A . 20 C P . . . 19 . C4' . . . . . 19 . C3' . . . . . 19 . O3' . . . . . 20 . P . . rr_1szy 1 177 . . 1 1 19 19 G C3' C . . 1 1 19 19 G O3' O . . 1 1 20 20 C P P . . 1 1 20 20 C O5' O . -86.0 -56.0 . . . A . 19 G C3' . . A . 19 G O3' . . A . 20 C P . . A . 20 C O5' . . . 19 . C3' . . . . . 19 . O3' . . . . . 20 . P . . . . . 20 . O5' . . rr_1szy 1 178 . . 1 1 19 19 G O4' O . . 1 1 19 19 G C1' C . . 1 1 19 19 G N9 N . . 1 1 19 19 G C4 C . -173.0 -143.0 . . . A . 19 G O4' . . A . 19 G C1' . . A . 19 G N9 . . A . 19 G C4 . . . 19 . O4' . . . . . 19 . C1' . . . . . 19 . N9 . . . . . 19 . C4 . . rr_1szy 1 179 . . 1 1 19 19 G C4' C . . 1 1 19 19 G O4' O . . 1 1 19 19 G C1' C . . 1 1 19 19 G C2' C . -12.0 18.0 . . . A . 19 G C4' . . A . 19 G O4' . . A . 19 G C1' . . A . 19 G C2' . . . 19 . C4' . . . . . 19 . O4' . . . . . 19 . C1' . . . . . 19 . C2' . . rr_1szy 1 180 . . 1 1 19 19 G O4' O . . 1 1 19 19 G C1' C . . 1 1 19 19 G C2' C . . 1 1 19 19 G C3' C . -40.0 -10.0 . . . A . 19 G O4' . . A . 19 G C1' . . A . 19 G C2' . . A . 19 G C3' . . . 19 . O4' . . . . . 19 . C1' . . . . . 19 . C2' . . . . . 19 . C3' . . rr_1szy 1 181 . . 1 1 19 19 G C1' C . . 1 1 19 19 G C2' C . . 1 1 19 19 G C3' C . . 1 1 19 19 G C4' C . 22.0 52.0 . . . A . 19 G C1' . . A . 19 G C2' . . A . 19 G C3' . . A . 19 G C4' . . . 19 . C1' . . . . . 19 . C2' . . . . . 19 . C3' . . . . . 19 . C4' . . rr_1szy 1 182 . . 1 1 19 19 G C2' C . . 1 1 19 19 G C3' C . . 1 1 19 19 G C4' C . . 1 1 19 19 G O4' O . -51.0 -21.0 . . . A . 19 G C2' . . A . 19 G C3' . . A . 19 G C4' . . A . 19 G O4' . . . 19 . C2' . . . . . 19 . C3' . . . . . 19 . C4' . . . . . 19 . O4' . . rr_1szy 1 183 . . 1 1 19 19 G C3' C . . 1 1 19 19 G C4' C . . 1 1 19 19 G O4' O . . 1 1 19 19 G C1' C . 6.0 36.0 . . . A . 19 G C3' . . A . 19 G C4' . . A . 19 G O4' . . A . 19 G C1' . . . 19 . C3' . . . . . 19 . C4' . . . . . 19 . O4' . . . . . 19 . C1' . . rr_1szy 1 184 . . 1 1 19 19 G O3' O . . 1 1 20 20 C P P . . 1 1 20 20 C O5' O . . 1 1 20 20 C C5' C . -83.0 -53.0 . . . A . 19 G O3' . . A . 20 C P . . A . 20 C O5' . . A . 20 C C5' . . . 19 . O3' . . . . . 20 . P . . . . . 20 . O5' . . . . . 20 . C5' . . rr_1szy 1 185 . . 1 1 20 20 C P P . . 1 1 20 20 C O5' O . . 1 1 20 20 C C5' C . . 1 1 20 20 C C4' C . 163.0 193.0 . . . A . 20 C P . . A . 20 C O5' . . A . 20 C C5' . . A . 20 C C4' . . . 20 . P . . . . . 20 . O5' . . . . . 20 . C5' . . . . . 20 . C4' . . rr_1szy 1 186 . . 1 1 20 20 C O5' O . . 1 1 20 20 C C5' C . . 1 1 20 20 C C4' C . . 1 1 20 20 C C3' C . 39.0 69.0 . . . A . 20 C O5' . . A . 20 C C5' . . A . 20 C C4' . . A . 20 C C3' . . . 20 . O5' . . . . . 20 . C5' . . . . . 20 . C4' . . . . . 20 . C3' . . rr_1szy 1 187 . . 1 1 20 20 C C4' C . . 1 1 20 20 C C3' C . . 1 1 20 20 C O3' O . . 1 1 21 21 C P P . -168.0 -138.0 . . . A . 20 C C4' . . A . 20 C C3' . . A . 20 C O3' . . A . 21 C P . . . 20 . C4' . . . . . 20 . C3' . . . . . 20 . O3' . . . . . 21 . P . . rr_1szy 1 188 . . 1 1 20 20 C C3' C . . 1 1 20 20 C O3' O . . 1 1 21 21 C P P . . 1 1 21 21 C O5' O . -86.0 -56.0 . . . A . 20 C C3' . . A . 20 C O3' . . A . 21 C P . . A . 21 C O5' . . . 20 . C3' . . . . . 20 . O3' . . . . . 21 . P . . . . . 21 . O5' . . rr_1szy 1 189 . . 1 1 20 20 C O4' O . . 1 1 20 20 C C1' C . . 1 1 20 20 C N1 N . . 1 1 20 20 C C2 C . -173.0 -143.0 . . . A . 20 C O4' . . A . 20 C C1' . . A . 20 C N1 . . A . 20 C C2 . . . 20 . O4' . . . . . 20 . C1' . . . . . 20 . N1 . . . . . 20 . C2 . . rr_1szy 1 190 . . 1 1 20 20 C C4' C . . 1 1 20 20 C O4' O . . 1 1 20 20 C C1' C . . 1 1 20 20 C C2' C . -12.0 18.0 . . . A . 20 C C4' . . A . 20 C O4' . . A . 20 C C1' . . A . 20 C C2' . . . 20 . C4' . . . . . 20 . O4' . . . . . 20 . C1' . . . . . 20 . C2' . . rr_1szy 1 191 . . 1 1 20 20 C O4' O . . 1 1 20 20 C C1' C . . 1 1 20 20 C C2' C . . 1 1 20 20 C C3' C . -40.0 -10.0 . . . A . 20 C O4' . . A . 20 C C1' . . A . 20 C C2' . . A . 20 C C3' . . . 20 . O4' . . . . . 20 . C1' . . . . . 20 . C2' . . . . . 20 . C3' . . rr_1szy 1 192 . . 1 1 20 20 C C1' C . . 1 1 20 20 C C2' C . . 1 1 20 20 C C3' C . . 1 1 20 20 C C4' C . 22.0 52.0 . . . A . 20 C C1' . . A . 20 C C2' . . A . 20 C C3' . . A . 20 C C4' . . . 20 . C1' . . . . . 20 . C2' . . . . . 20 . C3' . . . . . 20 . C4' . . rr_1szy 1 193 . . 1 1 20 20 C C2' C . . 1 1 20 20 C C3' C . . 1 1 20 20 C C4' C . . 1 1 20 20 C O4' O . -51.0 -21.0 . . . A . 20 C C2' . . A . 20 C C3' . . A . 20 C C4' . . A . 20 C O4' . . . 20 . C2' . . . . . 20 . C3' . . . . . 20 . C4' . . . . . 20 . O4' . . rr_1szy 1 194 . . 1 1 20 20 C C3' C . . 1 1 20 20 C C4' C . . 1 1 20 20 C O4' O . . 1 1 20 20 C C1' C . 6.0 36.0 . . . A . 20 C C3' . . A . 20 C C4' . . A . 20 C O4' . . A . 20 C C1' . . . 20 . C3' . . . . . 20 . C4' . . . . . 20 . O4' . . . . . 20 . C1' . . rr_1szy 1 195 . . 1 1 20 20 C O3' O . . 1 1 21 21 C P P . . 1 1 21 21 C O5' O . . 1 1 21 21 C C5' C . -83.0 -53.0 . . . A . 20 C O3' . . A . 21 C P . . A . 21 C O5' . . A . 21 C C5' . . . 20 . O3' . . . . . 21 . P . . . . . 21 . O5' . . . . . 21 . C5' . . rr_1szy 1 196 . . 1 1 21 21 C P P . . 1 1 21 21 C O5' O . . 1 1 21 21 C C5' C . . 1 1 21 21 C C4' C . 163.0 193.0 . . . A . 21 C P . . A . 21 C O5' . . A . 21 C C5' . . A . 21 C C4' . . . 21 . P . . . . . 21 . O5' . . . . . 21 . C5' . . . . . 21 . C4' . . rr_1szy 1 197 . . 1 1 21 21 C O5' O . . 1 1 21 21 C C5' C . . 1 1 21 21 C C4' C . . 1 1 21 21 C C3' C . 39.0 69.0 . . . A . 21 C O5' . . A . 21 C C5' . . A . 21 C C4' . . A . 21 C C3' . . . 21 . O5' . . . . . 21 . C5' . . . . . 21 . C4' . . . . . 21 . C3' . . rr_1szy 1 198 . . 1 1 21 21 C O4' O . . 1 1 21 21 C C1' C . . 1 1 21 21 C N1 N . . 1 1 21 21 C C2 C . -173.0 -143.0 . . . A . 21 C O4' . . A . 21 C C1' . . A . 21 C N1 . . A . 21 C C2 . . . 21 . O4' . . . . . 21 . C1' . . . . . 21 . N1 . . . . . 21 . C2 . . rr_1szy 1 199 . . 1 1 21 21 C C4' C . . 1 1 21 21 C O4' O . . 1 1 21 21 C C1' C . . 1 1 21 21 C C2' C . -12.0 18.0 . . . A . 21 C C4' . . A . 21 C O4' . . A . 21 C C1' . . A . 21 C C2' . . . 21 . C4' . . . . . 21 . O4' . . . . . 21 . C1' . . . . . 21 . C2' . . rr_1szy 1 200 . . 1 1 21 21 C O4' O . . 1 1 21 21 C C1' C . . 1 1 21 21 C C2' C . . 1 1 21 21 C C3' C . -40.0 -10.0 . . . A . 21 C O4' . . A . 21 C C1' . . A . 21 C C2' . . A . 21 C C3' . . . 21 . O4' . . . . . 21 . C1' . . . . . 21 . C2' . . . . . 21 . C3' . . rr_1szy 1 201 . . 1 1 21 21 C C1' C . . 1 1 21 21 C C2' C . . 1 1 21 21 C C3' C . . 1 1 21 21 C C4' C . 22.0 52.0 . . . A . 21 C C1' . . A . 21 C C2' . . A . 21 C C3' . . A . 21 C C4' . . . 21 . C1' . . . . . 21 . C2' . . . . . 21 . C3' . . . . . 21 . C4' . . rr_1szy 1 202 . . 1 1 21 21 C C2' C . . 1 1 21 21 C C3' C . . 1 1 21 21 C C4' C . . 1 1 21 21 C O4' O . -51.0 -21.0 . . . A . 21 C C2' . . A . 21 C C3' . . A . 21 C C4' . . A . 21 C O4' . . . 21 . C2' . . . . . 21 . C3' . . . . . 21 . C4' . . . . . 21 . O4' . . rr_1szy 1 203 . . 1 1 21 21 C C3' C . . 1 1 21 21 C C4' C . . 1 1 21 21 C O4' O . . 1 1 21 21 C C1' C . 6.0 36.0 . . . A . 21 C C3' . . A . 21 C C4' . . A . 21 C O4' . . A . 21 C C1' . . . 21 . C3' . . . . . 21 . C4' . . . . . 21 . O4' . . . . . 21 . C1' . . rr_1szy 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 ; g1 beta is unconstrained g1 gamma is unconstrained g1 epsilon ; 1 1 5 13 rr_1szy 1 2 'g1 zeta' 10 1 10 10 rr_1szy 1 3 'g1 chi' 15 1 15 9 rr_1szy 1 4 'g1 nu0' 20 1 20 9 rr_1szy 1 5 'g1 nu1' 25 1 25 9 rr_1szy 1 6 'g1 nu2' 30 1 30 9 rr_1szy 1 7 'g1 nu3' 35 1 35 9 rr_1szy 1 8 'g1 nu4' 40 1 40 9 rr_1szy 1 9 'g2 alpha' 45 1 45 11 rr_1szy 1 10 'g2 beta' 50 1 50 10 rr_1szy 1 11 'g2 gamma' 55 1 55 11 rr_1szy 1 12 'g2 epsilon' 60 1 60 13 rr_1szy 1 13 'g2 zeta' 65 1 65 10 rr_1szy 1 14 'g2 chi' 70 1 70 9 rr_1szy 1 15 'g2 nu0' 75 1 75 9 rr_1szy 1 16 'g2 nu1' 80 1 80 9 rr_1szy 1 17 'g2 nu2' 85 1 85 9 rr_1szy 1 18 'g2 nu3' 90 1 90 9 rr_1szy 1 19 'g2 nu4' 95 1 95 9 rr_1szy 1 20 'c3 alpha' 100 1 100 11 rr_1szy 1 21 'c3 beta' 105 1 105 10 rr_1szy 1 22 'c3 gamma' 110 1 110 11 rr_1szy 1 23 'c3 epsilon' 115 1 115 13 rr_1szy 1 24 'c3 zeta' 120 1 120 10 rr_1szy 1 25 'c3 chi' 125 1 125 9 rr_1szy 1 26 'c3 nu0' 130 1 130 9 rr_1szy 1 27 'c3 nu1' 135 1 135 9 rr_1szy 1 28 'c3 nu2' 140 1 140 9 rr_1szy 1 29 'c3 nu3' 145 1 145 9 rr_1szy 1 30 'c3 nu4' 150 1 150 9 rr_1szy 1 31 'a4 alpha' 155 1 155 11 rr_1szy 1 32 'a4 beta' 160 1 160 10 rr_1szy 1 33 'a4 gamma' 165 1 165 11 rr_1szy 1 34 'a4 epsilon' 170 1 170 13 rr_1szy 1 35 'a4 zeta' 175 1 175 10 rr_1szy 1 36 'a4 chi' 180 1 180 9 rr_1szy 1 37 'a4 nu0' 185 1 185 9 rr_1szy 1 38 'a4 nu1' 190 1 190 9 rr_1szy 1 39 'a4 nu2' 195 1 195 9 rr_1szy 1 40 'a4 nu3' 200 1 200 9 rr_1szy 1 41 'a4 nu4' 205 1 205 9 rr_1szy 1 42 'g5 alpha' 210 1 210 11 rr_1szy 1 43 'g5 beta' 215 1 215 10 rr_1szy 1 44 'g5 gamma' 220 1 220 11 rr_1szy 1 45 'g5 epsilon' 225 1 225 13 rr_1szy 1 46 'g5 zeta' 230 1 230 10 rr_1szy 1 47 'g5 chi' 235 1 235 9 rr_1szy 1 48 'g5 nu0' 240 1 240 9 rr_1szy 1 49 'g5 nu1' 245 1 245 9 rr_1szy 1 50 'g5 nu2' 250 1 250 9 rr_1szy 1 51 'g5 nu3' 255 1 255 9 rr_1szy 1 52 'g5 nu4' 260 1 260 9 rr_1szy 1 53 'g6 alpha' 265 1 265 11 rr_1szy 1 54 'g6 beta' 270 1 270 10 rr_1szy 1 55 'g6 gamma' 275 1 275 11 rr_1szy 1 56 'g6 epsilon' 280 1 280 13 rr_1szy 1 57 'g6 zeta' 285 1 285 10 rr_1szy 1 58 'g6 chi' 290 1 290 9 rr_1szy 1 59 'g6 nu0' 295 1 295 9 rr_1szy 1 60 'g6 nu1' 300 1 300 9 rr_1szy 1 61 'g6 nu2' 305 1 305 9 rr_1szy 1 62 'g6 nu3' 310 1 310 9 rr_1szy 1 63 'g6 nu4' 315 1 315 9 rr_1szy 1 64 'g7 alpha' 320 1 320 11 rr_1szy 1 65 'g7 beta' 325 1 325 10 rr_1szy 1 66 'g7 gamma' 330 1 330 11 rr_1szy 1 67 'g7 epsilon' 335 1 335 13 rr_1szy 1 68 'g7 zeta' 340 1 340 10 rr_1szy 1 69 'g7 chi' 345 1 345 9 rr_1szy 1 70 'g7 nu0' 350 1 350 9 rr_1szy 1 71 'g7 nu1' 355 1 355 9 rr_1szy 1 72 'g7 nu2' 360 1 360 9 rr_1szy 1 73 'g7 nu3' 365 1 365 9 rr_1szy 1 74 'g7 nu4' 370 1 370 9 rr_1szy 1 75 'c8 alpha' 375 1 375 11 rr_1szy 1 76 'c8 beta' 380 1 380 10 rr_1szy 1 77 'c8 gamma' 385 1 385 11 rr_1szy 1 78 'c8 epsilon' 390 1 390 13 rr_1szy 1 79 'c8 zeta' 395 1 395 10 rr_1szy 1 80 'c8 chi' 400 1 400 9 rr_1szy 1 81 'c8 nu0' 405 1 405 9 rr_1szy 1 82 'c8 nu1' 410 1 410 9 rr_1szy 1 83 'c8 nu2' 415 1 415 9 rr_1szy 1 84 'c8 nu3' 420 1 420 9 rr_1szy 1 85 'c8 nu4' 425 1 425 9 rr_1szy 1 86 'u9 alpha' 430 1 430 11 rr_1szy 1 87 'u9 beta' 435 1 435 10 rr_1szy 1 88 'u9 gamma' 440 1 440 11 rr_1szy 1 89 'u9 epsilon' 445 1 445 13 rr_1szy 1 90 ; u9 zeta is unconstrained u9 chi ; 450 1 452 9 rr_1szy 1 91 'u9 nu0' 457 1 457 9 rr_1szy 1 92 'u9 nu1' 462 1 462 9 rr_1szy 1 93 'u9 nu2' 467 1 467 9 rr_1szy 1 94 'u9 nu3' 472 1 472 9 rr_1szy 1 95 'u9 nu4' 477 1 477 9 rr_1szy 1 96 ; c10 alpha is unconstrained c10 beta ; 482 1 484 11 rr_1szy 1 97 'c10 gamma' 489 1 489 12 rr_1szy 1 98 'c10 epsilon' 494 1 494 14 rr_1szy 1 99 ; c10 zeta is unconstrained c10 chi ; 499 1 501 10 rr_1szy 1 100 ; c10 nu0 is unconstrained c10 nu1 is unconstrained c10 nu2 is unconstrained c10 nu3 is unconstrained c10 nu4 is unconstrained a11 alpha is unconstrained a11 beta ; 506 1 518 11 rr_1szy 1 101 ; a11 gamma is unconstrained a11 epsilon ; 523 1 525 14 rr_1szy 1 102 'a11 zeta' 530 1 530 11 rr_1szy 1 103 'a11 chi' 535 1 535 10 rr_1szy 1 104 ; a11 nu0 is unconstrained a11 nu1 is unconstrained a11 nu2 is unconstrained a11 nu3 is unconstrained a11 nu4 is unconstrained u12 alpha ; 540 1 550 12 rr_1szy 1 105 'u12 beta' 555 1 555 11 rr_1szy 1 106 ; u12 gamma is unconstrained u12 epsilon ; 560 1 562 14 rr_1szy 1 107 ; u12 zeta is unconstrained u12 chi ; 567 1 569 10 rr_1szy 1 108 'u12 nu0' 574 1 574 10 rr_1szy 1 109 'u12 nu1' 579 1 579 10 rr_1szy 1 110 'u12 nu2' 584 1 584 10 rr_1szy 1 111 'u12 nu3' 589 1 589 10 rr_1szy 1 112 'u12 nu4' 594 1 594 10 rr_1szy 1 113 ; a13 alpha is unconstrained a13 beta ; 599 1 601 11 rr_1szy 1 114 'a13 gamma' 606 1 606 12 rr_1szy 1 115 'a13 epsilon' 611 1 611 14 rr_1szy 1 116 'a13 zeta' 616 1 616 11 rr_1szy 1 117 'a13 chi' 621 1 621 10 rr_1szy 1 118 ; a13 nu0 is unconstrained a13 nu1 is unconstrained a13 nu2 is unconstrained a13 nu3 is unconstrained a13 nu4 is unconstrained a14 alpha ; 626 1 636 12 rr_1szy 1 119 'a14 beta' 641 1 641 11 rr_1szy 1 120 'a14 gamma' 646 1 646 12 rr_1szy 1 121 'a14 epsilon' 651 1 651 14 rr_1szy 1 122 'a14 zeta' 656 1 656 11 rr_1szy 1 123 'a14 chi' 661 1 661 10 rr_1szy 1 124 'a14 nu0' 666 1 666 10 rr_1szy 1 125 'a14 nu1' 671 1 671 10 rr_1szy 1 126 'a14 nu2' 676 1 676 10 rr_1szy 1 127 'a14 nu3' 681 1 681 10 rr_1szy 1 128 'a14 nu4' 686 1 686 10 rr_1szy 1 129 'c15 alpha' 691 1 691 12 rr_1szy 1 130 'c15 beta' 696 1 696 11 rr_1szy 1 131 'c15 gamma' 701 1 701 12 rr_1szy 1 132 'c15 epsilon' 706 1 706 14 rr_1szy 1 133 'c15 zeta' 711 1 711 11 rr_1szy 1 134 'c15 chi' 716 1 716 10 rr_1szy 1 135 'c15 nu0' 721 1 721 10 rr_1szy 1 136 'c15 nu1' 726 1 726 10 rr_1szy 1 137 'c15 nu2' 731 1 731 10 rr_1szy 1 138 'c15 nu3' 736 1 736 10 rr_1szy 1 139 'c15 nu4' 741 1 741 10 rr_1szy 1 140 'c16 alpha' 746 1 746 12 rr_1szy 1 141 'c16 beta' 751 1 751 11 rr_1szy 1 142 'c16 gamma' 756 1 756 12 rr_1szy 1 143 'c16 epsilon' 761 1 761 14 rr_1szy 1 144 'c16 zeta' 766 1 766 11 rr_1szy 1 145 'c16 chi' 771 1 771 10 rr_1szy 1 146 'c16 nu0' 776 1 776 10 rr_1szy 1 147 'c16 nu1' 781 1 781 10 rr_1szy 1 148 'c16 nu2' 786 1 786 10 rr_1szy 1 149 'c16 nu3' 791 1 791 10 rr_1szy 1 150 'c16 nu4' 796 1 796 10 rr_1szy 1 151 'c17 alpha' 801 1 801 12 rr_1szy 1 152 'c17 beta' 806 1 806 11 rr_1szy 1 153 'c17 gamma' 811 1 811 12 rr_1szy 1 154 'c17 epsilon' 816 1 816 14 rr_1szy 1 155 'c17 zeta' 821 1 821 11 rr_1szy 1 156 'c17 chi' 826 1 826 10 rr_1szy 1 157 'c17 nu0' 831 1 831 10 rr_1szy 1 158 'c17 nu1' 836 1 836 10 rr_1szy 1 159 'c17 nu2' 841 1 841 10 rr_1szy 1 160 'c17 nu3' 846 1 846 10 rr_1szy 1 161 'c17 nu4' 851 1 851 10 rr_1szy 1 162 'u18 alpha' 856 1 856 12 rr_1szy 1 163 'u18 beta' 861 1 861 11 rr_1szy 1 164 'u18 gamma' 866 1 866 12 rr_1szy 1 165 'u18 epsilon' 871 1 871 14 rr_1szy 1 166 'u18 zeta' 876 1 876 11 rr_1szy 1 167 'u18 chi' 881 1 881 10 rr_1szy 1 168 'u18 nu0' 886 1 886 10 rr_1szy 1 169 'u18 nu1' 891 1 891 10 rr_1szy 1 170 'u18 nu2' 896 1 896 10 rr_1szy 1 171 'u18 nu3' 901 1 901 10 rr_1szy 1 172 'u18 nu4' 906 1 906 10 rr_1szy 1 173 'g19 alpha' 911 1 911 12 rr_1szy 1 174 'g19 beta' 916 1 916 11 rr_1szy 1 175 'g19 gamma' 921 1 921 12 rr_1szy 1 176 'g19 epsilon' 926 1 926 14 rr_1szy 1 177 'g19 zeta' 931 1 931 11 rr_1szy 1 178 'g19 chi' 936 1 936 10 rr_1szy 1 179 'g19 nu0' 941 1 941 10 rr_1szy 1 180 'g19 nu1' 946 1 946 10 rr_1szy 1 181 'g19 nu2' 951 1 951 10 rr_1szy 1 182 'g19 nu3' 956 1 956 10 rr_1szy 1 183 'g19 nu4' 961 1 961 10 rr_1szy 1 184 'c20 alpha' 966 1 966 12 rr_1szy 1 185 'c20 beta' 971 1 971 11 rr_1szy 1 186 'c20 gamma' 976 1 976 12 rr_1szy 1 187 'c20 epsilon' 981 1 981 14 rr_1szy 1 188 'c20 zeta' 986 1 986 11 rr_1szy 1 189 'c20 chi' 991 1 991 10 rr_1szy 1 190 'c20 nu0' 996 1 996 10 rr_1szy 1 191 'c20 nu1' 1001 1 1001 10 rr_1szy 1 192 'c20 nu2' 1006 1 1006 10 rr_1szy 1 193 'c20 nu3' 1011 1 1011 10 rr_1szy 1 194 'c20 nu4' 1016 1 1016 10 rr_1szy 1 195 'c21 alpha' 1021 1 1021 12 rr_1szy 1 196 'c21 beta' 1026 1 1026 11 rr_1szy 1 197 'c21 gamma' 1031 1 1031 12 rr_1szy 1 198 'c21 chi' 1036 1 1036 10 rr_1szy 1 199 'c21 nu0' 1041 1 1041 10 rr_1szy 1 200 'c21 nu1' 1046 1 1046 10 rr_1szy 1 201 'c21 nu2' 1051 1 1051 10 rr_1szy 1 202 'c21 nu3' 1056 1 1056 10 rr_1szy 1 203 'c21 nu4' 1061 1 1061 10 rr_1szy 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_1szy _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 RNA 06-APR-04 1SZY *TITLE SOLUTION STRUCTURE OF ITALY1 ("INITIATOR TRNA ANTICODON *TITLE 2 LOOP FROM YEAST"), AN UNMODIFIED 21-NT RNA WITH THE *TITLE 3 SEQUENCE OF THE ANTICODON STEM-LOOP OF YEAST INITIATOR TRNA *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: 5'- *COMPND 3 R(P*GP*GP*CP*AP*GP*GP*GP*CP*UP*CP*AP*UP*AP*AP*CP*CP*CP*UP*G *COMPND 4 P*CP*C)-3'; *COMPND 5 CHAIN: A; *COMPND 6 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES *KEYWDS INITIATOR TRNA ANTICODON LOOP *EXPDTA NMR *AUTHOR D.C.SCHWEISGUTH, P.B.MOORE *REVDAT 1 20-APR-04 1SZY 0 ; save_ save_MR_file_comment_11 _Org_constr_file_comment.Sf_framecode MR_file_comment_11 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID rr_1szy _Org_constr_file_comment.ID 3 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 11 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment ; Energy: bond 5.90512, angle 78.8593, dihedral 0, improper 10.7274, NOE 50.8731, c-dihedral 0.340015, planar 8.35049, VdW 140.529, total 295.585 RMSD: bond 1.919015E-03, angle 0.635438, dihedral 0, improper 0.308381, NOE 2.341371E-02, c-dihedral 8.29046E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 2, c-dihedral 0 Handedness -1, enantiomer discrimination 21177.8:11441.4 X-PLOR> Energy: bond 12.8321, angle 150.851, dihedral 0, improper 14.3855, NOE 91.1044, c-dihedral 9.96906, planar 10.2854, VdW 180.643, total 470.07 RMSD: bond 2.790835E-03, angle 0.831394, dihedral 0, improper 0.362285, NOE 3.133255E-02, c-dihedral 0.448907 Violations: bond 0, angle 5, dihedral 0, improper 0, NOE 7, c-dihedral 0 Handedness -1, enantiomer discrimination 31528.4:5963.22 X-PLOR> Energy: bond 4.75237, angle 78.1279, dihedral 0, improper 10.529, NOE 31.1738, c-dihedral 0.650518, planar 7.79061, VdW 122.387, total 255.411 RMSD: bond 1.68525E-03, angle 0.621372, dihedral 0, improper 0.304682, NOE 1.832825E-02, c-dihedral 0.114672 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 0, c-dihedral 0 Handedness 1, enantiomer discrimination 11615.4:29287.6 X-PLOR> Energy: bond 16.2144, angle 139.035, dihedral 0, improper 16.912, NOE 221.524, c-dihedral 8.79085, planar 9.86272, VdW 173.114, total 585.453 RMSD: bond 3.168553E-03, angle 0.804985, dihedral 0, improper 0.407163, NOE 4.885803E-02, c-dihedral 0.421546 Violations: bond 0, angle 3, dihedral 0, improper 0, NOE 5, c-dihedral 0 Handedness -1, enantiomer discrimination 24118.3:5296.4 X-PLOR> Energy: bond 5.04972, angle 81.789, dihedral 0, improper 10.3322, NOE 30.145, c-dihedral 0.12704, planar 9.21155, VdW 124.689, total 261.344 RMSD: bond 1.741615E-03, angle 0.639569, dihedral 0, improper 0.304484, NOE 1.802327E-02, c-dihedral 5.067567E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 0, c-dihedral 0 Handedness -1, enantiomer discrimination 23846.3:6076.52 X-PLOR> Energy: bond 6.15639, angle 78.8947, dihedral 0, improper 9.90625, NOE 59.2593, c-dihedral 0.448364, planar 9.33985, VdW 125.16, total 289.165 RMSD: bond 1.935025E-03, angle 0.6329, dihedral 0, improper 0.299906, NOE 2.526994E-02, c-dihedral 9.520172E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 3, c-dihedral 0 Handedness -1, enantiomer discrimination 25345.4:8051.48 X-PLOR> Energy: bond 86.898, angle 340.25, dihedral 0, improper 27.6642, NOE 155.902, c-dihedral 26.6771, planar 10.2821, VdW 702.715, total 1350.39 RMSD: bond 7.415511E-03, angle 1.16729, dihedral 0, improper 0.531386, NOE 4.098759E-02, c-dihedral 0.734343 Violations: bond 5, angle 13, dihedral 0, improper 0, NOE 5, c-dihedral 2 Handedness -1, enantiomer discrimination 32518.6:5894.71 X-PLOR> Energy: bond 4.77988, angle 75.1605, dihedral 0, improper 10.0879, NOE 28.7483, c-dihedral 0.113657, planar 8.82426, VdW 121.194, total 248.908 RMSD: bond 1.671527E-03, angle 0.609677, dihedral 0, improper 0.29928, NOE 1.76008E-02, c-dihedral 4.793214E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 0, c-dihedral 0 Handedness -1, enantiomer discrimination 26821.2:5609.61 X-PLOR> Energy: bond 15.3974, angle 154.177, dihedral 0, improper 16.6241, NOE 138.875, c-dihedral 16.2327, planar 9.36799, VdW 184.418, total 535.091 RMSD: bond 3.205729E-03, angle 0.832072, dihedral 0, improper 0.416525, NOE 3.868456E-02, c-dihedral 0.572828 Violations: bond 0, angle 5, dihedral 0, improper 0, NOE 6, c-dihedral 0 Handedness 1, enantiomer discrimination 8522:26662.2 X-PLOR> Energy: bond 13.6538, angle 151.875, dihedral 0, improper 14.6787, NOE 133.044, c-dihedral 4.30209, planar 9.2648, VdW 220.089, total 546.907 RMSD: bond 2.893107E-03, angle 0.840282, dihedral 0, improper 0.382529, NOE 3.78638E-02, c-dihedral 0.294896 Violations: bond 0, angle 5, dihedral 0, improper 0, NOE 7, c-dihedral 0 Handedness -1, enantiomer discrimination 31289.9:5766.53 X-PLOR> Energy: bond 5.12775, angle 76.2701, dihedral 0, improper 10.5905, NOE 31.4411, c-dihedral 0.489987, planar 7.63491, VdW 124.358, total 255.912 RMSD: bond 1.772877E-03, angle 0.617485, dihedral 0, improper 0.310133, NOE 1.840667E-02, c-dihedral 9.95226E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 0, c-dihedral 0 Handedness -1, enantiomer discrimination 24808.5:5975.32 X-PLOR> Energy: bond 5.9437, angle 78.4555, dihedral 0, improper 10.303, NOE 50.892, c-dihedral 0.388776, planar 9.63777, VdW 139.613, total 295.234 RMSD: bond 1.924919E-03, angle 0.633099, dihedral 0, improper 0.294884, NOE 2.341805E-02, c-dihedral 8.86501E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 2, c-dihedral 0 Handedness -1, enantiomer discrimination 29575.2:5949.65 X-PLOR> Energy: bond 13.7255, angle 142.944, dihedral 0, improper 13.9402, NOE 149.468, c-dihedral 4.00317, planar 8.9372, VdW 176.472, total 509.49 RMSD: bond 2.887286E-03, angle 0.820241, dihedral 0, improper 0.363015, NOE 4.013285E-02, c-dihedral 0.284467 Violations: bond 0, angle 6, dihedral 0, improper 0, NOE 10, c-dihedral 0 Handedness -1, enantiomer discrimination 27231.3:7674.96 X-PLOR> Energy: bond 6.29757, angle 82.0422, dihedral 0, improper 10.1442, NOE 64.0165, c-dihedral 1.01445, planar 11.0051, VdW 123.987, total 298.507 RMSD: bond 1.982593E-03, angle 0.642821, dihedral 0, improper 0.302042, NOE 2.626466E-02, c-dihedral 0.143201 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 3, c-dihedral 0 Handedness 1, enantiomer discrimination 8653.55:23129.6 X-PLOR> Energy: bond 6.83591, angle 103.384, dihedral 0, improper 17.8236, NOE 67.0964, c-dihedral 2.34858, planar 10.3814, VdW 155.814, total 363.684 RMSD: bond 2.054421E-03, angle 0.70923, dihedral 0, improper 0.448378, NOE 2.688906E-02, c-dihedral 0.217887 Violations: bond 0, angle 2, dihedral 0, improper 0, NOE 3, c-dihedral 0 Handedness -1, enantiomer discrimination 33011.4:8050.22 X-PLOR> Energy: bond 13.7119, angle 116.256, dihedral 0, improper 15.0779, NOE 120.966, c-dihedral 5.80054, planar 8.9191, VdW 177.561, total 458.293 RMSD: bond 2.854683E-03, angle 0.740652, dihedral 0, improper 0.395744, NOE 3.610423E-02, c-dihedral 0.342424 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 5, c-dihedral 0 Handedness -1, enantiomer discrimination 29732.4:8804.64 X-PLOR> Energy: bond 5.00497, angle 77.3692, dihedral 0, improper 11.4953, NOE 33.1543, c-dihedral 0.138008, planar 8.78684, VdW 128.215, total 264.164 RMSD: bond 1.745134E-03, angle 0.623485, dihedral 0, improper 0.336235, NOE 1.890149E-02, c-dihedral 5.281796E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 0, c-dihedral 0 Handedness 1, enantiomer discrimination 6252.63:32002.7 X-PLOR> Energy: bond 4.46327, angle 74.0568, dihedral 0, improper 11.3776, NOE 29.7519, c-dihedral 0.318286, planar 9.74649, VdW 122.672, total 252.387 RMSD: bond 1.638185E-03, angle 0.610755, dihedral 0, improper 0.328203, NOE 1.790537E-02, c-dihedral 8.021177E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 0, c-dihedral 0 Handedness -1, enantiomer discrimination 24711.3:6059.8 X-PLOR> Energy: bond 5.26995, angle 88.9759, dihedral 0, improper 10.9464, NOE 32.1239, c-dihedral 0.550161, planar 8.28057, VdW 132.16, total 278.307 RMSD: bond 1.799612E-03, angle 0.667412, dihedral 0, improper 0.322085, NOE 1.860545E-02, c-dihedral 0.105457 Violations: bond 0, angle 1, dihedral 0, improper 0, NOE 0, c-dihedral 0 Handedness -1, enantiomer discrimination 26990.8:7844.89 X-PLOR> Energy: bond 5.40724, angle 84.3604, dihedral 0, improper 10.2789, NOE 31.8027, c-dihedral 0.173655, planar 9.33801, VdW 123.567, total 264.927 RMSD: bond 1.789621E-03, angle 0.64195, dihedral 0, improper 0.29987, NOE 1.851218E-02, c-dihedral 5.924798E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 0, c-dihedral 0 Handedness -1, enantiomer discrimination 29517.3:6564.07 X-PLOR> Energy: bond 6.53166, angle 84.7209, dihedral 0, improper 15.532, NOE 51.1307, c-dihedral 1.31549, planar 8.80964, VdW 137.403, total 305.443 RMSD: bond 1.999104E-03, angle 0.660653, dihedral 0, improper 0.410605, NOE 2.347291E-02, c-dihedral 0.16307 Violations: bond 0, angle 1, dihedral 0, improper 0, NOE 1, c-dihedral 0 Handedness -1, enantiomer discrimination 30704:6183.34 X-PLOR> Energy: bond 5.49573, angle 85.7651, dihedral 0, improper 9.76151, NOE 31.3762, c-dihedral 0.823867, planar 8.10678, VdW 121.804, total 263.133 RMSD: bond 1.814732E-03, angle 0.646841, dihedral 0, improper 0.288219, NOE 1.838765E-02, c-dihedral 0.12905 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 0, c-dihedral 0 Handedness -1, enantiomer discrimination 28113.1:10998.6 X-PLOR> Energy: bond 5.58225, angle 77.1977, dihedral 0, improper 10.6323, NOE 30.1826, c-dihedral 0.232036, planar 8.67506, VdW 122.962, total 255.464 RMSD: bond 1.809896E-03, angle 0.615385, dihedral 0, improper 0.313497, NOE 1.803451E-02, c-dihedral 6.848684E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 0, c-dihedral 0 Handedness -1, enantiomer discrimination 25198.4:7956.69 X-PLOR> Energy: bond 5.13891, angle 85.1997, dihedral 0, improper 10.6193, NOE 30.3197, c-dihedral 0.2347, planar 9.40499, VdW 124.617, total 265.535 RMSD: bond 1.749242E-03, angle 0.647939, dihedral 0, improper 0.314735, NOE 1.807543E-02, c-dihedral 6.887884E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 0, c-dihedral 0 Handedness 1, enantiomer discrimination 10244.4:49810.6 X-PLOR> Energy: bond 4.65062, angle 73.7207, dihedral 0, improper 12.3936, NOE 37.0746, c-dihedral 1.11686, planar 9.45004, VdW 126.55, total 264.957 RMSD: bond 1.68665E-03, angle 0.616676, dihedral 0, improper 0.362439, NOE 1.998777E-02, c-dihedral 0.150255 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 1, c-dihedral 0 Handedness -1, enantiomer discrimination 28125.2:5885.38 X-PLOR> Energy: bond 8.14897, angle 94.4384, dihedral 0, improper 14.1336, NOE 62.0362, c-dihedral 1.87612, planar 9.55377, VdW 145.476, total 335.663 RMSD: bond 2.31537E-03, angle 0.672277, dihedral 0, improper 0.386857, NOE 2.585523E-02, c-dihedral 0.194742 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 2, c-dihedral 0 Handedness -1, enantiomer discrimination 23128.5:6021.17 X-PLOR> Energy: bond 4.64367, angle 78.113, dihedral 0, improper 10.4032, NOE 27.9669, c-dihedral 0.296144, planar 8.1771, VdW 124.128, total 253.728 RMSD: bond 1.663E-03, angle 0.622537, dihedral 0, improper 0.307507, NOE 1.735993E-02, c-dihedral 7.73715E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 0, c-dihedral 0 Handedness 1, enantiomer discrimination 8178.76:29096.5 X-PLOR> Energy: bond 6.14007, angle 81.9247, dihedral 0, improper 13.7242, NOE 51.7972, c-dihedral 1.54088, planar 9.88652, VdW 128.557, total 293.57 RMSD: bond 1.945851E-03, angle 0.635274, dihedral 0, improper 0.391619, NOE 2.36254E-02, c-dihedral 0.176487 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 1, c-dihedral 0 Handedness -1, enantiomer discrimination 25525.8:6195.14 X-PLOR> Energy: bond 470.913, angle 842.622, dihedral 0, improper 772.189, NOE 3550.62, c-dihedral 206.649, planar 348.621, VdW 3649.15, total 9840.77 RMSD: bond 2.056123E-02, angle 2.75644, dihedral 0, improper 3.83389, NOE 0.195604, c-dihedral 2.04383 Violations: bond 26, angle 39, dihedral 0, improper 43, NOE 119, c-dihedral 6 Handedness -1, enantiomer discrimination 28050.9:9033.63 X-PLOR> Energy: bond 12.4425, angle 122.021, dihedral 0, improper 20.0433, NOE 90.2992, c-dihedral 9.43853, planar 8.7171, VdW 147.654, total 410.616 RMSD: bond 2.709058E-03, angle 0.760379, dihedral 0, improper 0.490084, NOE 3.119378E-02, c-dihedral 0.436799 Violations: bond 0, angle 1, dihedral 0, improper 0, NOE 4, c-dihedral 0 Handedness -1, enantiomer discrimination 40420.8:9090.39 ; save_ save_MR_file_comment_6 _Org_constr_file_comment.Sf_framecode MR_file_comment_6 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID rr_1szy _Org_constr_file_comment.ID 2 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 6 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment ; README This file JPR topology and parameter files, March 1996 dna-rna-allatom.top JPR top file plus changes: Commented out remarks and set echo/message statements Commented out all dihedrals except alpha-gamma, epsilon, zeta (and their equivalents on 5' and 3' termini). Commented out remaining dihedrals, since they weren't helpful dna-rna-allatom.top.old JPR top file dna-rna-allatom.par JPR par file plus changes: Commented out remarks and set echo/message statements Commented out second definitions of terminal hydroxyl dihedrals with periodicity 2 (?!?) Commented out erroneous "DIHEdral X C6A N4C X" Commented out all dihedrals except alpha-gamma, epsilon, zeta (and their equivalents on 5' and 3' termini). Note that I commented out the amino dihedrals because they have no counterpart in the topology file, but that there are impropers which do the same job. Changed x_eq for backbone dihedrals to A-form angles from Sanger Commented out remaining dihedrals, since they weren't helpful dna-rna-allatom.par.old JPR par file Number of segments = 1 Number of residues = 21 segid num res alpha beta gamma eps zeta chi nu0 nu1 nu2 nu3 nu4 ------ --- --- ------ ------- ------- ------- ------- ------- ------- ------- ------- ------- ------- A 1 GUA 0.00 -168.88 40.92 -147.66 -74.73 -157.97 1.66 -24.57 36.86 -36.92 22.21 A 2 GUA -58.81 173.82 43.71 -155.75 -72.41 -155.47 -0.36 -24.25 38.22 -39.48 25.07 A 3 CYT -63.42 178.55 48.26 -151.81 -75.88 -161.20 1.96 -25.16 37.49 -37.41 22.36 A 4 ADE -58.35 175.38 45.83 -152.66 -74.26 -154.76 0.57 -24.13 37.19 -37.89 23.52 A 5 GUA -55.22 173.78 44.73 -152.21 -74.20 -155.90 -0.86 -23.50 37.61 -39.09 25.17 A 6 GUA -60.11 174.36 47.15 -158.30 -70.95 -155.59 0.08 -24.67 38.52 -39.46 24.82 A 7 GUA -61.81 178.43 52.45 -151.57 -60.89 -156.64 -0.32 -21.55 33.92 -35.15 22.39 A 8 CYT -68.45 -162.99 43.90 -125.92 -85.01 -161.69 14.44 -30.25 33.72 -26.47 7.73 A 9 URI -37.87 161.65 39.08 -149.53 -50.59 -162.25 -1.54 -20.06 32.74 -34.66 22.80 A 10 CYT 119.21 167.25 68.15 -116.32 -81.40 -127.59 -13.47 22.64 -22.62 15.73 -1.62 A 11 ADE -97.54 157.10 51.30 -169.84 -71.20 -124.34 -7.64 -17.16 33.90 -39.21 29.44 A 12 URI -64.22 169.84 69.80 -98.91 -93.75 -127.79 -30.44 24.14 -9.56 -7.42 23.63 A 13 ADE -91.56 154.78 53.07 -159.94 -70.77 -150.17 12.77 -34.71 42.35 -36.04 14.73 A 14 ADE -64.91 149.14 84.18 -117.45 -68.27 175.75 5.57 -28.29 39.03 -36.90 19.75 A 15 CYT -52.77 162.66 44.20 -151.63 -80.21 -162.89 -0.11 -24.70 38.68 -39.81 25.13 A 16 CYT -52.99 175.42 41.66 -148.81 -76.91 -161.01 3.84 -26.07 37.15 -36.01 20.31 A 17 CYT -57.88 172.14 45.46 -154.01 -77.64 -162.81 1.56 -25.61 38.60 -38.73 23.42 A 18 URI -53.22 176.02 42.70 -149.29 -77.46 -161.44 3.93 -26.39 37.56 -36.36 20.48 A 19 GUA -52.85 171.81 42.78 -153.56 -72.65 -156.43 0.60 -24.86 38.36 -39.04 24.22 A 20 CYT -60.61 177.86 45.73 -154.70 -74.38 -161.79 2.02 -25.27 37.63 -37.51 22.36 A 21 CYT -62.35 177.52 49.84 0.00 0.00 -161.13 1.80 -23.87 35.53 -35.59 21.32 ; save_ save_MR_file_comment_13 _Org_constr_file_comment.Sf_framecode MR_file_comment_13 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID rr_1szy _Org_constr_file_comment.ID 5 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 13 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment ; # Dihedral angle constraints for ITALY2 # A-form values from Arnott and Chandrasekaran (1982) as reported by Sanger (1984) # alpha beta gamma epsilon zeta chi nu0 nu1 nu2 nu3 nu4 g none none none -153 15 -71 15 -158 15 3 15 -25 15 37 15 -36 15 21 15 g -68 15 178 15 54 15 -153 15 -71 15 -158 15 3 15 -25 15 37 15 -36 15 21 15 c -68 15 178 15 54 15 -153 15 -71 15 -158 15 3 15 -25 15 37 15 -36 15 21 15 a -68 15 178 15 54 15 -153 15 -71 15 -158 15 3 15 -25 15 37 15 -36 15 21 15 g -68 15 178 15 54 15 -153 15 -71 15 -158 15 3 15 -25 15 37 15 -36 15 21 15 g -68 15 178 15 54 15 -153 15 -71 15 -158 15 3 15 -25 15 37 15 -36 15 21 15 g -68 15 178 15 54 15 -153 15 -71 15 -158 15 3 15 -25 15 37 15 -36 15 21 15 c -68 30 178 30 54 30 -120 120 -71 30 -158 30 3 30 -25 30 37 30 -36 30 21 30 u -68 30 178 30 54 30 -120 120 none -158 30 3 30 -25 30 37 30 -36 30 21 30 c none 178 30 54 30 -120 120 none -158 30 none none none none none a none 178 30 none -120 120 -71 30 -158 30 none none none none none u -68 30 178 30 none -120 120 none -158 30 -21.7 30 35.2 30 -35.2 30 21.8 30 0 30 a none 178 30 54 30 -120 120 -71 30 -158 30 none none none none none a -68 30 178 30 54 30 -120 120 -71 30 -158 30 3 30 -25 30 37 30 -36 30 21 30 c -68 15 178 15 54 15 -153 15 -71 15 -158 15 3 15 -25 15 37 15 -36 15 21 15 c -68 15 178 15 54 15 -153 15 -71 15 -158 15 3 15 -25 15 37 15 -36 15 21 15 c -68 15 178 15 54 15 -153 15 -71 15 -158 15 3 15 -25 15 37 15 -36 15 21 15 u -68 15 178 15 54 15 -153 15 -71 15 -158 15 3 15 -25 15 37 15 -36 15 21 15 g -68 15 178 15 54 15 -153 15 -71 15 -158 15 3 15 -25 15 37 15 -36 15 21 15 c -68 15 178 15 54 15 -153 15 -71 15 -158 15 3 15 -25 15 37 15 -36 15 21 15 c -68 15 178 15 54 15 none none -158 15 3 15 -25 15 37 15 -36 15 21 15 ; save_ save_MR_file_comment_12 _Org_constr_file_comment.Sf_framecode MR_file_comment_12 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID rr_1szy _Org_constr_file_comment.ID 4 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 12 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment ; X-PLOR> X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.083 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.449 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.115 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.422 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.051 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.095 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 ======================================== A 11 ADE C3' A 11 ADE O3' A 12 URI P A 12 URI O5' Dihedral= -32.957 Energy= 0.020 C= 1.000 Equil= -71.000 Delta= -8.043 Range= 30.000 Exponent= 2 ======================================== A 11 ADE O4' A 11 ADE C1' A 11 ADE N9 A 11 ADE C4 Dihedral= -122.877 Energy= 0.008 C= 1.000 Equil= -158.000 Delta= -5.123 Range= 30.000 Exponent= 2 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 2 RMS deviation= 0.734 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.048 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.573 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.295 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.100 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.089 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.284 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.143 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.218 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.342 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.053 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.080 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.105 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.059 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.163 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.129 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.068 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.069 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.150 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.195 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.077 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.176 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 ======================================== A 1 GUA O4' A 1 GUA C1' A 1 GUA N9 A 1 GUA C4 Dihedral= 167.133 Energy= 0.120 C= 1.000 Equil= -158.000 Delta= 19.867 Range= 15.000 Exponent= 2 ======================================== A 2 GUA C4' A 2 GUA C3' A 2 GUA O3' A 3 CYT P Dihedral= -178.167 Energy= 0.031 C= 1.000 Equil= -153.000 Delta= 10.167 Range= 15.000 Exponent= 2 ======================================== A 2 GUA O4' A 2 GUA C1' A 2 GUA N9 A 2 GUA C4 Dihedral= -179.338 Energy= 0.012 C= 1.000 Equil= -158.000 Delta= 6.338 Range= 15.000 Exponent= 2 ======================================== A 3 CYT P A 3 CYT O5' A 3 CYT C5' A 3 CYT C4' Dihedral= 154.852 Energy= 0.020 C= 1.000 Equil= 178.000 Delta= 8.148 Range= 15.000 Exponent= 2 ======================================== A 3 CYT C4' A 3 CYT C3' A 3 CYT O3' A 4 ADE P Dihedral= -175.965 Energy= 0.019 C= 1.000 Equil= -153.000 Delta= 7.965 Range= 15.000 Exponent= 2 ======================================== A 21 CYT O4' A 21 CYT C1' A 21 CYT N1 A 21 CYT C2 Dihedral= -132.513 Energy= 0.033 C= 1.000 Equil= -158.000 Delta= -10.487 Range= 15.000 Exponent= 2 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 6 RMS deviation= 2.044 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.437 X-PLOR>print threshold=0.2 noe ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS NIL +++++++++++++++++++++++++++++++++++ for this class: SCALe= 100.000 AVERage=center POTEntial=square-well SQCOnstant= 1.000 SQEXponent= 2 SQOFfset= 0.000 ======================================== set-i-atoms A 12 URI H4' set-j-atoms A 13 ADE H8 R= 2.737 NOE= 4.00 (- 1.00/+ 1.00) Delta= 0.263 E(NOE)= 6.942 ======================================== set-i-atoms A 12 URI H1' set-j-atoms A 13 ADE H8 R= 5.310 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.310 E(NOE)= 9.634 NOEPRI: RMS diff. = 0.023, #(violat.> 0.2)= 2 of 928 NOEs X-PLOR>print threshold=0.2 noe ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS NIL +++++++++++++++++++++++++++++++++++ for this class: SCALe= 100.000 AVERage=center POTEntial=square-well SQCOnstant= 1.000 SQEXponent= 2 SQOFfset= 0.000 ======================================== set-i-atoms A 9 URI H2' set-j-atoms A 11 ADE H8 R= 4.274 NOE= 3.00 (- 1.00/+ 1.00) Delta= -0.274 E(NOE)= 7.495 ======================================== set-i-atoms A 10 CYT H6 set-j-atoms A 11 ADE H8 R= 2.739 NOE= 4.00 (- 1.00/+ 1.00) Delta= 0.261 E(NOE)= 6.807 ======================================== set-i-atoms A 10 CYT H2' set-j-atoms A 11 ADE H8 R= 3.252 NOE= 2.40 (- 0.60/+ 0.60) Delta= -0.252 E(NOE)= 6.341 ======================================== set-i-atoms A 10 CYT H3' set-j-atoms A 11 ADE H8 R= 3.386 NOE= 2.40 (- 0.60/+ 0.60) Delta= -0.386 E(NOE)= 14.921 ======================================== set-i-atoms A 12 URI H2' set-j-atoms A 13 ADE H8 R= 2.779 NOE= 4.00 (- 1.00/+ 1.00) Delta= 0.221 E(NOE)= 4.879 ======================================== set-i-atoms A 12 URI H2' set-j-atoms A 13 ADE H1' R= 5.306 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.306 E(NOE)= 9.339 ======================================== set-i-atoms A 13 ADE H3' set-j-atoms A 14 ADE H8 R= 3.224 NOE= 2.40 (- 0.60/+ 0.60) Delta= -0.224 E(NOE)= 4.999 NOEPRI: RMS diff. = 0.031, #(violat.> 0.2)= 7 of 928 NOEs X-PLOR>print threshold=0.2 noe NOEPRI: RMS diff. = 0.018, #(violat.> 0.2)= 0 of 928 NOEs X-PLOR>print threshold=0.2 noe ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS NIL +++++++++++++++++++++++++++++++++++ for this class: SCALe= 100.000 AVERage=center POTEntial=square-well SQCOnstant= 1.000 SQEXponent= 2 SQOFfset= 0.000 ======================================== set-i-atoms A 9 URI H2' set-j-atoms A 11 ADE H8 R= 4.359 NOE= 3.00 (- 1.00/+ 1.00) Delta= -0.359 E(NOE)= 12.910 ======================================== set-i-atoms A 10 CYT H1' set-j-atoms A 11 ADE H8 R= 2.423 NOE= 4.00 (- 1.00/+ 1.00) Delta= 0.577 E(NOE)= 33.299 ======================================== set-i-atoms A 10 CYT H2' set-j-atoms A 11 ADE H8 R= 3.326 NOE= 2.40 (- 0.60/+ 0.60) Delta= -0.326 E(NOE)= 10.624 ======================================== set-i-atoms A 10 CYT H3' set-j-atoms A 11 ADE H8 R= 3.882 NOE= 2.40 (- 0.60/+ 0.60) Delta= -0.882 E(NOE)= 77.747 ======================================== set-i-atoms A 10 CYT H4' set-j-atoms A 11 ADE H8 R= 2.293 NOE= 4.00 (- 1.00/+ 1.00) Delta= 0.707 E(NOE)= 50.038 NOEPRI: RMS diff. = 0.049, #(violat.> 0.2)= 5 of 928 NOEs X-PLOR>print threshold=0.2 noe NOEPRI: RMS diff. = 0.018, #(violat.> 0.2)= 0 of 928 NOEs X-PLOR>print threshold=0.2 noe ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS NIL +++++++++++++++++++++++++++++++++++ for this class: SCALe= 100.000 AVERage=center POTEntial=square-well SQCOnstant= 1.000 SQEXponent= 2 SQOFfset= 0.000 ======================================== set-i-atoms A 12 URI H2' set-j-atoms A 13 ADE H8 R= 2.668 NOE= 4.00 (- 1.00/+ 1.00) Delta= 0.332 E(NOE)= 11.043 ======================================== set-i-atoms A 12 URI H2' set-j-atoms A 13 ADE H1' R= 5.309 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.309 E(NOE)= 9.568 ======================================== set-i-atoms A 12 URI H6 set-j-atoms A 13 ADE H8 R= 5.222 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.222 E(NOE)= 4.929 NOEPRI: RMS diff. = 0.025, #(violat.> 0.2)= 3 of 928 NOEs X-PLOR>print threshold=0.2 noe ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS NIL +++++++++++++++++++++++++++++++++++ for this class: SCALe= 100.000 AVERage=center POTEntial=square-well SQCOnstant= 1.000 SQEXponent= 2 SQOFfset= 0.000 ======================================== set-i-atoms A 10 CYT H1' set-j-atoms A 11 ADE H8 R= 5.652 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.652 E(NOE)= 42.469 ======================================== set-i-atoms A 10 CYT H4' set-j-atoms A 11 ADE H8 R= 5.445 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.445 E(NOE)= 19.770 ======================================== set-i-atoms A 11 ADE H2' set-j-atoms A 12 URI H6 R= 4.557 NOE= 3.00 (- 1.00/+ 1.00) Delta= -0.557 E(NOE)= 31.038 ======================================== set-i-atoms A 12 URI H1' set-j-atoms A 12 URI H4' R= 2.738 NOE= 4.00 (- 1.00/+ 1.00) Delta= 0.262 E(NOE)= 6.888 ======================================== set-i-atoms A 12 URI H6 set-j-atoms A 13 ADE H8 R= 5.222 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.222 E(NOE)= 4.912 NOEPRI: RMS diff. = 0.041, #(violat.> 0.2)= 5 of 928 NOEs X-PLOR>print threshold=0.2 noe NOEPRI: RMS diff. = 0.018, #(violat.> 0.2)= 0 of 928 NOEs X-PLOR>print threshold=0.2 noe ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS NIL +++++++++++++++++++++++++++++++++++ for this class: SCALe= 100.000 AVERage=center POTEntial=square-well SQCOnstant= 1.000 SQEXponent= 2 SQOFfset= 0.000 ======================================== set-i-atoms A 9 URI H2' set-j-atoms A 11 ADE H8 R= 4.472 NOE= 3.00 (- 1.00/+ 1.00) Delta= -0.472 E(NOE)= 22.246 ======================================== set-i-atoms A 10 CYT H6 set-j-atoms A 10 CYT H3' R= 4.239 NOE= 3.00 (- 1.00/+ 1.00) Delta= -0.239 E(NOE)= 5.696 ======================================== set-i-atoms A 10 CYT H1' set-j-atoms A 11 ADE H8 R= 5.446 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.446 E(NOE)= 19.863 ======================================== set-i-atoms A 11 ADE H8 set-j-atoms A 12 URI H6 R= 5.357 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.357 E(NOE)= 12.754 ======================================== set-i-atoms A 12 URI H2' set-j-atoms A 13 ADE H1' R= 5.318 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.318 E(NOE)= 10.120 ======================================== set-i-atoms A 12 URI H6 set-j-atoms A 13 ADE H8 R= 5.492 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.492 E(NOE)= 24.247 NOEPRI: RMS diff. = 0.039, #(violat.> 0.2)= 6 of 928 NOEs X-PLOR>print threshold=0.2 noe ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS NIL +++++++++++++++++++++++++++++++++++ for this class: SCALe= 100.000 AVERage=center POTEntial=square-well SQCOnstant= 1.000 SQEXponent= 2 SQOFfset= 0.000 ======================================== set-i-atoms A 9 URI H1' set-j-atoms A 10 CYT H2' R= 5.326 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.326 E(NOE)= 10.611 ======================================== set-i-atoms A 9 URI H2' set-j-atoms A 11 ADE H8 R= 4.248 NOE= 3.00 (- 1.00/+ 1.00) Delta= -0.248 E(NOE)= 6.132 ======================================== set-i-atoms A 10 CYT H6 set-j-atoms A 11 ADE H8 R= 2.733 NOE= 4.00 (- 1.00/+ 1.00) Delta= 0.267 E(NOE)= 7.131 ======================================== set-i-atoms A 10 CYT H3' set-j-atoms A 11 ADE H8 R= 3.617 NOE= 2.40 (- 0.60/+ 0.60) Delta= -0.617 E(NOE)= 38.099 ======================================== set-i-atoms A 11 ADE H8 set-j-atoms A 11 ADE H3' R= 3.313 NOE= 2.40 (- 0.60/+ 0.60) Delta= -0.313 E(NOE)= 9.801 ======================================== set-i-atoms A 12 URI H6 set-j-atoms A 12 URI H3' R= 4.320 NOE= 3.00 (- 1.00/+ 1.00) Delta= -0.320 E(NOE)= 10.257 ======================================== set-i-atoms A 12 URI H1' set-j-atoms A 13 ADE H8 R= 5.259 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.259 E(NOE)= 6.715 NOEPRI: RMS diff. = 0.038, #(violat.> 0.2)= 7 of 928 NOEs X-PLOR>print threshold=0.2 noe NOEPRI: RMS diff. = 0.018, #(violat.> 0.2)= 0 of 928 NOEs X-PLOR>print threshold=0.2 noe ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS NIL +++++++++++++++++++++++++++++++++++ for this class: SCALe= 100.000 AVERage=center POTEntial=square-well SQCOnstant= 1.000 SQEXponent= 2 SQOFfset= 0.000 ======================================== set-i-atoms A 12 URI H4' set-j-atoms A 13 ADE H8 R= 2.749 NOE= 4.00 (- 1.00/+ 1.00) Delta= 0.251 E(NOE)= 6.294 ======================================== set-i-atoms A 12 URI H1' set-j-atoms A 13 ADE H8 R= 5.316 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.316 E(NOE)= 9.968 NOEPRI: RMS diff. = 0.023, #(violat.> 0.2)= 2 of 928 NOEs X-PLOR>print threshold=0.2 noe ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS NIL +++++++++++++++++++++++++++++++++++ for this class: SCALe= 100.000 AVERage=center POTEntial=square-well SQCOnstant= 1.000 SQEXponent= 2 SQOFfset= 0.000 ======================================== set-i-atoms A 9 URI H1' set-j-atoms A 10 CYT H2' R= 5.209 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.209 E(NOE)= 4.387 ======================================== set-i-atoms A 9 URI H2' set-j-atoms A 11 ADE H8 R= 4.250 NOE= 3.00 (- 1.00/+ 1.00) Delta= -0.250 E(NOE)= 6.245 ======================================== set-i-atoms A 10 CYT H3' set-j-atoms A 11 ADE H8 R= 3.324 NOE= 2.40 (- 0.60/+ 0.60) Delta= -0.324 E(NOE)= 10.482 ======================================== set-i-atoms A 10 CYT H4' set-j-atoms A 11 ADE H8 R= 2.790 NOE= 4.00 (- 1.00/+ 1.00) Delta= 0.210 E(NOE)= 4.408 ======================================== set-i-atoms A 11 ADE H2 set-j-atoms A 12 URI H1' R= 5.451 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.451 E(NOE)= 20.298 ======================================== set-i-atoms A 11 ADE H8 set-j-atoms A 12 URI H6 R= 5.493 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.493 E(NOE)= 24.291 ======================================== set-i-atoms A 12 URI H2' set-j-atoms A 13 ADE H8 R= 2.679 NOE= 4.00 (- 1.00/+ 1.00) Delta= 0.321 E(NOE)= 10.297 ======================================== set-i-atoms A 12 URI H3' set-j-atoms A 13 ADE H8 R= 3.437 NOE= 2.40 (- 0.60/+ 0.60) Delta= -0.437 E(NOE)= 19.067 ======================================== set-i-atoms A 14 ADE H3' set-j-atoms A 15 CYT H1' R= 5.206 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.206 E(NOE)= 4.263 ======================================== set-i-atoms A 11 ADE H1' set-j-atoms A 12 URI H6 R= 2.675 NOE= 4.00 (- 1.00/+ 1.00) Delta= 0.325 E(NOE)= 10.564 NOEPRI: RMS diff. = 0.040, #(violat.> 0.2)= 10 of 928 NOEs X-PLOR>print threshold=0.2 noe ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS NIL +++++++++++++++++++++++++++++++++++ for this class: SCALe= 100.000 AVERage=center POTEntial=square-well SQCOnstant= 1.000 SQEXponent= 2 SQOFfset= 0.000 ======================================== set-i-atoms A 12 URI H2' set-j-atoms A 13 ADE H8 R= 2.690 NOE= 4.00 (- 1.00/+ 1.00) Delta= 0.310 E(NOE)= 9.637 ======================================== set-i-atoms A 12 URI H2' set-j-atoms A 13 ADE H1' R= 5.375 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.375 E(NOE)= 14.072 ======================================== set-i-atoms A 12 URI H6 set-j-atoms A 13 ADE H8 R= 5.213 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.213 E(NOE)= 4.534 NOEPRI: RMS diff. = 0.026, #(violat.> 0.2)= 3 of 928 NOEs X-PLOR>print threshold=0.2 noe ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS NIL +++++++++++++++++++++++++++++++++++ for this class: SCALe= 100.000 AVERage=center POTEntial=square-well SQCOnstant= 1.000 SQEXponent= 2 SQOFfset= 0.000 ======================================== set-i-atoms A 11 ADE H8 set-j-atoms A 12 URI H6 R= 5.339 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.339 E(NOE)= 11.487 ======================================== set-i-atoms A 12 URI H4' set-j-atoms A 13 ADE H8 R= 2.762 NOE= 4.00 (- 1.00/+ 1.00) Delta= 0.238 E(NOE)= 5.641 ======================================== set-i-atoms A 12 URI H6 set-j-atoms A 13 ADE H8 R= 5.331 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.331 E(NOE)= 10.960 NOEPRI: RMS diff. = 0.027, #(violat.> 0.2)= 3 of 928 NOEs X-PLOR>print threshold=0.2 noe ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS NIL +++++++++++++++++++++++++++++++++++ for this class: SCALe= 100.000 AVERage=center POTEntial=square-well SQCOnstant= 1.000 SQEXponent= 2 SQOFfset= 0.000 ======================================== set-i-atoms A 9 URI H6 set-j-atoms A 9 URI H3' R= 2.797 NOE= 4.00 (- 1.00/+ 1.00) Delta= 0.203 E(NOE)= 4.105 ======================================== set-i-atoms A 9 URI H1' set-j-atoms A 10 CYT H2' R= 5.472 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.472 E(NOE)= 22.306 ======================================== set-i-atoms A 9 URI H2' set-j-atoms A 11 ADE H8 R= 4.334 NOE= 3.00 (- 1.00/+ 1.00) Delta= -0.334 E(NOE)= 11.124 ======================================== set-i-atoms A 10 CYT H3' set-j-atoms A 11 ADE H8 R= 3.485 NOE= 2.40 (- 0.60/+ 0.60) Delta= -0.485 E(NOE)= 23.564 ======================================== set-i-atoms A 10 CYT H4' set-j-atoms A 11 ADE H8 R= 2.569 NOE= 4.00 (- 1.00/+ 1.00) Delta= 0.431 E(NOE)= 18.598 NOEPRI: RMS diff. = 0.036, #(violat.> 0.2)= 5 of 928 NOEs X-PLOR>print threshold=0.2 noe NOEPRI: RMS diff. = 0.019, #(violat.> 0.2)= 0 of 928 NOEs X-PLOR>print threshold=0.2 noe NOEPRI: RMS diff. = 0.018, #(violat.> 0.2)= 0 of 928 NOEs X-PLOR>print threshold=0.2 noe NOEPRI: RMS diff. = 0.019, #(violat.> 0.2)= 0 of 928 NOEs X-PLOR>print threshold=0.2 noe NOEPRI: RMS diff. = 0.019, #(violat.> 0.2)= 0 of 928 NOEs X-PLOR>print threshold=0.2 noe ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS NIL +++++++++++++++++++++++++++++++++++ for this class: SCALe= 100.000 AVERage=center POTEntial=square-well SQCOnstant= 1.000 SQEXponent= 2 SQOFfset= 0.000 ======================================== set-i-atoms A 12 URI H2' set-j-atoms A 13 ADE H1' R= 5.307 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.307 E(NOE)= 9.398 NOEPRI: RMS diff. = 0.023, #(violat.> 0.2)= 1 of 928 NOEs X-PLOR>print threshold=0.2 noe NOEPRI: RMS diff. = 0.018, #(violat.> 0.2)= 0 of 928 NOEs X-PLOR>print threshold=0.2 noe NOEPRI: RMS diff. = 0.018, #(violat.> 0.2)= 0 of 928 NOEs X-PLOR>print threshold=0.2 noe NOEPRI: RMS diff. = 0.018, #(violat.> 0.2)= 0 of 928 NOEs X-PLOR>print threshold=0.2 noe ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS NIL +++++++++++++++++++++++++++++++++++ for this class: SCALe= 100.000 AVERage=center POTEntial=square-well SQCOnstant= 1.000 SQEXponent= 2 SQOFfset= 0.000 ======================================== set-i-atoms A 11 ADE H8 set-j-atoms A 12 URI H6 R= 5.276 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.276 E(NOE)= 7.598 NOEPRI: RMS diff. = 0.020, #(violat.> 0.2)= 1 of 928 NOEs X-PLOR>print threshold=0.2 noe ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS NIL +++++++++++++++++++++++++++++++++++ for this class: SCALe= 100.000 AVERage=center POTEntial=square-well SQCOnstant= 1.000 SQEXponent= 2 SQOFfset= 0.000 ======================================== set-i-atoms A 12 URI H4' set-j-atoms A 13 ADE H8 R= 2.799 NOE= 4.00 (- 1.00/+ 1.00) Delta= 0.201 E(NOE)= 4.054 ======================================== set-i-atoms A 12 URI H6 set-j-atoms A 13 ADE H8 R= 5.464 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.464 E(NOE)= 21.488 NOEPRI: RMS diff. = 0.026, #(violat.> 0.2)= 2 of 928 NOEs X-PLOR>print threshold=0.2 noe NOEPRI: RMS diff. = 0.017, #(violat.> 0.2)= 0 of 928 NOEs X-PLOR>print threshold=0.2 noe ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS NIL +++++++++++++++++++++++++++++++++++ for this class: SCALe= 100.000 AVERage=center POTEntial=square-well SQCOnstant= 1.000 SQEXponent= 2 SQOFfset= 0.000 ======================================== set-i-atoms A 11 ADE H8 set-j-atoms A 12 URI H6 R= 5.318 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.318 E(NOE)= 10.096 NOEPRI: RMS diff. = 0.024, #(violat.> 0.2)= 1 of 928 NOEs X-PLOR>print threshold=0.2 noe ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS NIL +++++++++++++++++++++++++++++++++++ for this class: SCALe= 100.000 AVERage=center POTEntial=square-well SQCOnstant= 1.000 SQEXponent= 2 SQOFfset= 0.000 ======================================== set-i-atoms A 1 GUA H1' set-j-atoms A 1 GUA H3' R= 3.544 NOE= 3.86 (- 0.10/+ 0.10) Delta= 0.213 E(NOE)= 4.518 ======================================== set-i-atoms A 1 GUA H1' set-j-atoms A 1 GUA H21 R= 6.100 NOE= 4.77 (- 0.10/+ 0.10) Delta= -1.226 E(NOE)= 150.226 ======================================== set-i-atoms A 1 GUA H1' set-j-atoms A 1 GUA H8 R= 3.346 NOE= 3.73 (- 0.10/+ 0.10) Delta= 0.281 E(NOE)= 7.870 ======================================== set-i-atoms A 1 GUA H1' set-j-atoms A 2 GUA H8 R= 2.886 NOE= 4.32 (- 0.10/+ 0.10) Delta= 1.333 E(NOE)= 177.820 ======================================== set-i-atoms A 1 GUA H2' set-j-atoms A 1 GUA H21 R= 4.011 NOE= 4.70 (- 0.10/+ 0.10) Delta= 0.591 E(NOE)= 34.965 ======================================== set-i-atoms A 1 GUA H2' set-j-atoms A 1 GUA H8 R= 4.450 NOE= 4.15 (- 0.10/+ 0.10) Delta= -0.201 E(NOE)= 4.035 ======================================== set-i-atoms A 1 GUA H2' set-j-atoms A 2 GUA H1' R= 4.642 NOE= 4.19 (- 0.10/+ 0.10) Delta= -0.349 E(NOE)= 12.189 ======================================== set-i-atoms A 1 GUA H2' set-j-atoms A 2 GUA H3' R= 3.826 NOE= 4.26 (- 0.10/+ 0.10) Delta= 0.337 E(NOE)= 11.384 ======================================== set-i-atoms A 1 GUA H2' set-j-atoms A 2 GUA H5' R= 2.590 NOE= 2.89 (- 0.10/+ 0.10) Delta= 0.200 E(NOE)= 4.007 ======================================== set-i-atoms A 1 GUA H2' set-j-atoms A 2 GUA H5'' R= 3.803 NOE= 4.27 (- 0.10/+ 0.10) Delta= 0.365 E(NOE)= 13.293 ======================================== set-i-atoms A 1 GUA H3' set-j-atoms A 2 GUA H8 R= 3.896 NOE= 3.02 (- 0.10/+ 0.10) Delta= -0.772 E(NOE)= 59.523 ======================================== set-i-atoms A 1 GUA H21 set-j-atoms A 2 GUA H1' R= 3.797 NOE= 3.25 (- 0.10/+ 0.10) Delta= -0.442 E(NOE)= 19.519 ======================================== set-i-atoms A 1 GUA H21 set-j-atoms A 2 GUA H8 R= 3.388 NOE= 4.88 (- 0.10/+ 0.10) Delta= 1.388 E(NOE)= 192.641 ======================================== set-i-atoms A 1 GUA H22 set-j-atoms A 2 GUA H1' R= 4.513 NOE= 4.21 (- 0.10/+ 0.10) Delta= -0.208 E(NOE)= 4.328 ======================================== set-i-atoms A 1 GUA H22 set-j-atoms A 2 GUA H1 R= 5.138 NOE= 4.79 (- 0.10/+ 0.10) Delta= -0.248 E(NOE)= 6.139 ======================================== set-i-atoms A 1 GUA H22 set-j-atoms A 21 CYT H1' R= 3.405 NOE= 4.32 (- 0.10/+ 0.10) Delta= 0.812 E(NOE)= 66.009 ======================================== set-i-atoms A 1 GUA H22 set-j-atoms A 21 CYT H2' R= 5.596 NOE= 4.67 (- 0.10/+ 0.10) Delta= -0.829 E(NOE)= 68.735 ======================================== set-i-atoms A 1 GUA H1 set-j-atoms A 20 CYT H42 R= 5.057 NOE= 4.75 (- 0.10/+ 0.10) Delta= -0.209 E(NOE)= 4.355 ======================================== set-i-atoms A 2 GUA H1' set-j-atoms A 2 GUA H21 R= 5.319 NOE= 4.78 (- 0.10/+ 0.10) Delta= -0.444 E(NOE)= 19.711 ======================================== set-i-atoms A 2 GUA H1' set-j-atoms A 2 GUA H8 R= 3.395 NOE= 3.73 (- 0.10/+ 0.10) Delta= 0.232 E(NOE)= 5.380 ======================================== set-i-atoms A 2 GUA H1' set-j-atoms A 3 CYT H6 R= 3.732 NOE= 4.30 (- 0.10/+ 0.10) Delta= 0.466 E(NOE)= 21.753 ======================================== set-i-atoms A 2 GUA H2' set-j-atoms A 2 GUA H21 R= 4.295 NOE= 4.70 (- 0.10/+ 0.10) Delta= 0.307 E(NOE)= 9.404 ======================================== set-i-atoms A 2 GUA H2' set-j-atoms A 3 CYT H1' R= 3.446 NOE= 4.19 (- 0.10/+ 0.10) Delta= 0.646 E(NOE)= 41.732 ======================================== set-i-atoms A 2 GUA H2' set-j-atoms A 3 CYT H3' R= 3.924 NOE= 4.26 (- 0.10/+ 0.10) Delta= 0.239 E(NOE)= 5.704 ======================================== set-i-atoms A 2 GUA H2' set-j-atoms A 3 CYT H4' R= 4.004 NOE= 4.44 (- 0.10/+ 0.10) Delta= 0.338 E(NOE)= 11.393 ======================================== set-i-atoms A 2 GUA H2' set-j-atoms A 3 CYT H5'' R= 3.742 NOE= 4.27 (- 0.10/+ 0.10) Delta= 0.426 E(NOE)= 18.153 ======================================== set-i-atoms A 2 GUA H3' set-j-atoms A 2 GUA H8 R= 3.633 NOE= 3.20 (- 0.10/+ 0.10) Delta= -0.337 E(NOE)= 11.390 ======================================== set-i-atoms A 2 GUA H3' set-j-atoms A 3 CYT H5' R= 4.339 NOE= 3.96 (- 0.10/+ 0.10) Delta= -0.281 E(NOE)= 7.880 ======================================== set-i-atoms A 2 GUA H3' set-j-atoms A 3 CYT H5'' R= 5.278 NOE= 4.91 (- 0.10/+ 0.10) Delta= -0.270 E(NOE)= 7.267 ======================================== set-i-atoms A 2 GUA H3' set-j-atoms A 3 CYT H5 R= 3.821 NOE= 3.31 (- 0.10/+ 0.10) Delta= -0.407 E(NOE)= 16.550 ======================================== set-i-atoms A 2 GUA H5'' set-j-atoms A 2 GUA H8 R= 4.853 NOE= 4.37 (- 0.10/+ 0.10) Delta= -0.385 E(NOE)= 14.795 ======================================== set-i-atoms A 2 GUA H21 set-j-atoms A 3 CYT H1' R= 3.921 NOE= 3.25 (- 0.10/+ 0.10) Delta= -0.566 E(NOE)= 32.085 ======================================== set-i-atoms A 2 GUA H21 set-j-atoms A 3 CYT H6 R= 3.278 NOE= 4.83 (- 0.10/+ 0.10) Delta= 1.448 E(NOE)= 209.657 ======================================== set-i-atoms A 2 GUA H21 set-j-atoms A 19 GUA H22 R= 5.095 NOE= 4.57 (- 0.10/+ 0.10) Delta= -0.424 E(NOE)= 17.951 ======================================== set-i-atoms A 2 GUA H21 set-j-atoms A 21 CYT H1' R= 5.027 NOE= 4.49 (- 0.10/+ 0.10) Delta= -0.434 E(NOE)= 18.814 ======================================== set-i-atoms A 2 GUA H22 set-j-atoms A 3 CYT H1' R= 4.789 NOE= 4.21 (- 0.10/+ 0.10) Delta= -0.484 E(NOE)= 23.438 ======================================== set-i-atoms A 2 GUA H22 set-j-atoms A 19 GUA H21 R= 5.222 NOE= 4.57 (- 0.10/+ 0.10) Delta= -0.551 E(NOE)= 30.332 ======================================== set-i-atoms A 2 GUA H22 set-j-atoms A 19 GUA H22 R= 4.175 NOE= 3.56 (- 0.10/+ 0.10) Delta= -0.510 E(NOE)= 26.012 ======================================== set-i-atoms A 2 GUA H22 set-j-atoms A 19 GUA H1 R= 4.515 NOE= 4.14 (- 0.10/+ 0.10) Delta= -0.278 E(NOE)= 7.746 ======================================== set-i-atoms A 2 GUA H22 set-j-atoms A 20 CYT H1' R= 5.027 NOE= 4.32 (- 0.10/+ 0.10) Delta= -0.610 E(NOE)= 37.255 ======================================== set-i-atoms A 2 GUA H22 set-j-atoms A 20 CYT H2' R= 5.331 NOE= 4.67 (- 0.10/+ 0.10) Delta= -0.565 E(NOE)= 31.929 ======================================== set-i-atoms A 2 GUA H22 set-j-atoms A 21 CYT H1' R= 4.701 NOE= 4.37 (- 0.10/+ 0.10) Delta= -0.227 E(NOE)= 5.134 ======================================== set-i-atoms A 2 GUA H22 set-j-atoms A 21 CYT H6 R= 5.490 NOE= 4.96 (- 0.10/+ 0.10) Delta= -0.429 E(NOE)= 18.374 ======================================== set-i-atoms A 2 GUA H8 set-j-atoms A 3 CYT H5 R= 4.434 NOE= 3.90 (- 0.10/+ 0.10) Delta= -0.435 E(NOE)= 18.884 ======================================== set-i-atoms A 2 GUA H1 set-j-atoms A 3 CYT H41 R= 3.583 NOE= 4.35 (- 0.10/+ 0.10) Delta= 0.670 E(NOE)= 44.838 ======================================== set-i-atoms A 2 GUA H1 set-j-atoms A 3 CYT H42 R= 3.210 NOE= 3.75 (- 0.10/+ 0.10) Delta= 0.438 E(NOE)= 19.214 ======================================== set-i-atoms A 2 GUA H1 set-j-atoms A 3 CYT H5 R= 4.266 NOE= 4.95 (- 0.10/+ 0.10) Delta= 0.584 E(NOE)= 34.057 ======================================== set-i-atoms A 2 GUA H1 set-j-atoms A 20 CYT H41 R= 4.592 NOE= 4.02 (- 0.10/+ 0.10) Delta= -0.470 E(NOE)= 22.097 ======================================== set-i-atoms A 2 GUA H1 set-j-atoms A 20 CYT H42 R= 2.886 NOE= 2.48 (- 0.10/+ 0.10) Delta= -0.308 E(NOE)= 9.470 ======================================== set-i-atoms A 2 GUA H1 set-j-atoms A 21 CYT H41 R= 3.610 NOE= 4.08 (- 0.10/+ 0.10) Delta= 0.374 E(NOE)= 14.018 ======================================== set-i-atoms A 2 GUA H1 set-j-atoms A 21 CYT H42 R= 2.577 NOE= 3.89 (- 0.10/+ 0.10) Delta= 1.211 E(NOE)= 146.547 ======================================== set-i-atoms A 2 GUA H1 set-j-atoms A 21 CYT H5 R= 5.166 NOE= 4.40 (- 0.10/+ 0.10) Delta= -0.668 E(NOE)= 44.644 ======================================== set-i-atoms A 3 CYT H1' set-j-atoms A 4 ADE H5' R= 4.262 NOE= 4.68 (- 0.10/+ 0.10) Delta= 0.314 E(NOE)= 9.854 ======================================== set-i-atoms A 3 CYT H2' set-j-atoms A 4 ADE H1' R= 3.697 NOE= 4.19 (- 0.10/+ 0.10) Delta= 0.395 E(NOE)= 15.578 ======================================== set-i-atoms A 3 CYT H2' set-j-atoms A 4 ADE H4' R= 4.058 NOE= 4.44 (- 0.10/+ 0.10) Delta= 0.284 E(NOE)= 8.083 ======================================== set-i-atoms A 3 CYT H3' set-j-atoms A 3 CYT H5' R= 4.037 NOE= 3.69 (- 0.10/+ 0.10) Delta= -0.251 E(NOE)= 6.283 ======================================== set-i-atoms A 3 CYT H3' set-j-atoms A 4 ADE H5'' R= 5.286 NOE= 4.91 (- 0.10/+ 0.10) Delta= -0.278 E(NOE)= 7.734 ======================================== set-i-atoms A 3 CYT H3' set-j-atoms A 4 ADE H8 R= 3.480 NOE= 3.03 (- 0.10/+ 0.10) Delta= -0.347 E(NOE)= 12.075 ======================================== set-i-atoms A 3 CYT H5' set-j-atoms A 3 CYT H6 R= 3.648 NOE= 3.24 (- 0.10/+ 0.10) Delta= -0.307 E(NOE)= 9.450 ======================================== set-i-atoms A 3 CYT H5'' set-j-atoms A 3 CYT H6 R= 3.679 NOE= 4.06 (- 0.10/+ 0.10) Delta= 0.277 E(NOE)= 7.671 ======================================== set-i-atoms A 3 CYT HO2' set-j-atoms A 4 ADE H5' R= 2.606 NOE= 2.94 (- 0.10/+ 0.10) Delta= 0.235 E(NOE)= 5.526 ======================================== set-i-atoms A 3 CYT H41 set-j-atoms A 4 ADE H61 R= 4.180 NOE= 3.57 (- 0.10/+ 0.10) Delta= -0.514 E(NOE)= 26.424 ======================================== set-i-atoms A 3 CYT H41 set-j-atoms A 20 CYT H41 R= 4.490 NOE= 4.82 (- 0.10/+ 0.10) Delta= 0.227 E(NOE)= 5.169 ======================================== set-i-atoms A 3 CYT H42 set-j-atoms A 19 GUA H22 R= 3.308 NOE= 4.57 (- 0.10/+ 0.10) Delta= 1.159 E(NOE)= 134.276 ======================================== set-i-atoms A 3 CYT H42 set-j-atoms A 20 CYT H41 R= 3.395 NOE= 3.71 (- 0.10/+ 0.10) Delta= 0.210 E(NOE)= 4.393 ======================================== set-i-atoms A 3 CYT H6 set-j-atoms A 4 ADE H8 R= 5.172 NOE= 4.78 (- 0.10/+ 0.10) Delta= -0.295 E(NOE)= 8.690 ======================================== set-i-atoms A 3 CYT H5 set-j-atoms A 4 ADE H61 R= 5.631 NOE= 4.82 (- 0.10/+ 0.10) Delta= -0.710 E(NOE)= 50.443 ======================================== set-i-atoms A 4 ADE H1' set-j-atoms A 19 GUA H21 R= 5.400 NOE= 4.49 (- 0.10/+ 0.10) Delta= -0.806 E(NOE)= 64.893 ======================================== set-i-atoms A 4 ADE H1' set-j-atoms A 19 GUA H22 R= 3.855 NOE= 4.37 (- 0.10/+ 0.10) Delta= 0.419 E(NOE)= 17.558 ======================================== set-i-atoms A 4 ADE H5'' set-j-atoms A 4 ADE H8 R= 3.881 NOE= 4.33 (- 0.10/+ 0.10) Delta= 0.344 E(NOE)= 11.814 ======================================== set-i-atoms A 4 ADE H62 set-j-atoms A 18 URI H3 R= 2.704 NOE= 2.40 (- 0.10/+ 0.10) Delta= -0.208 E(NOE)= 4.337 ======================================== set-i-atoms A 4 ADE H62 set-j-atoms A 19 GUA H1 R= 3.818 NOE= 4.42 (- 0.10/+ 0.10) Delta= 0.500 E(NOE)= 24.951 ======================================== set-i-atoms A 4 ADE H61 set-j-atoms A 17 CYT H42 R= 4.897 NOE= 4.58 (- 0.10/+ 0.10) Delta= -0.218 E(NOE)= 4.773 ======================================== set-i-atoms A 4 ADE H2 set-j-atoms A 19 GUA H1' R= 5.876 NOE= 4.66 (- 0.10/+ 0.10) Delta= -1.118 E(NOE)= 124.923 ======================================== set-i-atoms A 5 GUA H22 set-j-atoms A 18 URI H1' R= 4.698 NOE= 4.37 (- 0.10/+ 0.10) Delta= -0.224 E(NOE)= 5.030 ======================================== set-i-atoms A 5 GUA H22 set-j-atoms A 18 URI H3 R= 4.524 NOE= 4.86 (- 0.10/+ 0.10) Delta= 0.236 E(NOE)= 5.548 ======================================== set-i-atoms A 18 URI H1' set-j-atoms A 18 URI HO2' R= 3.293 NOE= 2.99 (- 0.10/+ 0.10) Delta= -0.203 E(NOE)= 4.116 ======================================== set-i-atoms A 18 URI H1' set-j-atoms A 19 GUA H5' R= 5.125 NOE= 4.68 (- 0.10/+ 0.10) Delta= -0.348 E(NOE)= 12.101 ======================================== set-i-atoms A 18 URI HO2' set-j-atoms A 19 GUA H4' R= 4.060 NOE= 3.52 (- 0.10/+ 0.10) Delta= -0.439 E(NOE)= 19.271 ======================================== set-i-atoms A 18 URI H6 set-j-atoms A 19 GUA H8 R= 4.374 NOE= 4.76 (- 0.10/+ 0.10) Delta= 0.287 E(NOE)= 8.218 ======================================== set-i-atoms A 19 GUA H1' set-j-atoms A 19 GUA H21 R= 4.406 NOE= 4.78 (- 0.10/+ 0.10) Delta= 0.269 E(NOE)= 7.261 ======================================== set-i-atoms A 19 GUA H2' set-j-atoms A 19 GUA H8 R= 3.804 NOE= 4.15 (- 0.10/+ 0.10) Delta= 0.245 E(NOE)= 5.982 ======================================== set-i-atoms A 19 GUA H3' set-j-atoms A 19 GUA H8 R= 2.744 NOE= 3.20 (- 0.10/+ 0.10) Delta= 0.352 E(NOE)= 12.378 ======================================== set-i-atoms A 19 GUA H4' set-j-atoms A 20 CYT H5' R= 4.472 NOE= 4.17 (- 0.10/+ 0.10) Delta= -0.205 E(NOE)= 4.196 ======================================== set-i-atoms A 19 GUA H21 set-j-atoms A 19 GUA H1 R= 3.165 NOE= 3.48 (- 0.10/+ 0.10) Delta= 0.215 E(NOE)= 4.643 ======================================== set-i-atoms A 19 GUA H21 set-j-atoms A 20 CYT H1' R= 3.896 NOE= 3.25 (- 0.10/+ 0.10) Delta= -0.541 E(NOE)= 29.262 ======================================== set-i-atoms A 19 GUA H21 set-j-atoms A 20 CYT H6 R= 5.518 NOE= 4.83 (- 0.10/+ 0.10) Delta= -0.592 E(NOE)= 35.072 ======================================== set-i-atoms A 19 GUA H22 set-j-atoms A 20 CYT H1' R= 4.739 NOE= 4.21 (- 0.10/+ 0.10) Delta= -0.434 E(NOE)= 18.858 ======================================== set-i-atoms A 19 GUA H8 set-j-atoms A 20 CYT H5 R= 3.416 NOE= 3.90 (- 0.10/+ 0.10) Delta= 0.383 E(NOE)= 14.675 ======================================== set-i-atoms A 19 GUA H1 set-j-atoms A 20 CYT H41 R= 4.677 NOE= 4.35 (- 0.10/+ 0.10) Delta= -0.224 E(NOE)= 5.022 ======================================== set-i-atoms A 19 GUA H1 set-j-atoms A 20 CYT H5 R= 5.534 NOE= 4.95 (- 0.10/+ 0.10) Delta= -0.484 E(NOE)= 23.397 ======================================== set-i-atoms A 20 CYT H4' set-j-atoms A 20 CYT HO2' R= 3.412 NOE= 3.78 (- 0.10/+ 0.10) Delta= 0.266 E(NOE)= 7.099 ======================================== set-i-atoms A 20 CYT HO2' set-j-atoms A 21 CYT H1' R= 3.798 NOE= 4.15 (- 0.10/+ 0.10) Delta= 0.253 E(NOE)= 6.397 ======================================== set-i-atoms A 20 CYT H41 set-j-atoms A 21 CYT H42 R= 3.629 NOE= 4.12 (- 0.10/+ 0.10) Delta= 0.395 E(NOE)= 15.570 ======================================== set-i-atoms A 20 CYT H41 set-j-atoms A 21 CYT H5 R= 4.943 NOE= 4.47 (- 0.10/+ 0.10) Delta= -0.368 E(NOE)= 13.507 ======================================== set-i-atoms A 20 CYT H42 set-j-atoms A 21 CYT H41 R= 2.709 NOE= 3.06 (- 0.10/+ 0.10) Delta= 0.256 E(NOE)= 6.552 ======================================== set-i-atoms A 20 CYT H42 set-j-atoms A 21 CYT H42 R= 2.604 NOE= 3.26 (- 0.10/+ 0.10) Delta= 0.560 E(NOE)= 31.341 ======================================== set-i-atoms A 20 CYT H42 set-j-atoms A 21 CYT H5 R= 4.695 NOE= 4.39 (- 0.10/+ 0.10) Delta= -0.202 E(NOE)= 4.085 ======================================== set-i-atoms A 20 CYT H6 set-j-atoms A 21 CYT H6 R= 5.311 NOE= 4.95 (- 0.10/+ 0.10) Delta= -0.259 E(NOE)= 6.693 ======================================== set-i-atoms A 20 CYT H6 set-j-atoms A 21 CYT H5 R= 4.365 NOE= 4.00 (- 0.10/+ 0.10) Delta= -0.264 E(NOE)= 6.970 ======================================== set-i-atoms A 20 CYT H5 set-j-atoms A 21 CYT H41 R= 3.571 NOE= 4.05 (- 0.10/+ 0.10) Delta= 0.375 E(NOE)= 14.068 ======================================== set-i-atoms A 20 CYT H5 set-j-atoms A 21 CYT H5 R= 4.424 NOE= 3.99 (- 0.10/+ 0.10) Delta= -0.330 E(NOE)= 10.900 ======================================== set-i-atoms A 21 CYT H2' set-j-atoms A 21 CYT H6 R= 3.518 NOE= 4.00 (- 0.10/+ 0.10) Delta= 0.381 E(NOE)= 14.543 ======================================== set-i-atoms A 21 CYT H3' set-j-atoms A 21 CYT H6 R= 2.615 NOE= 2.99 (- 0.10/+ 0.10) Delta= 0.273 E(NOE)= 7.433 ======================================== set-i-atoms A 21 CYT H41 set-j-atoms A 21 CYT H6 R= 4.219 NOE= 4.65 (- 0.10/+ 0.10) Delta= 0.331 E(NOE)= 10.955 ======================================== set-i-atoms A 21 CYT H41 set-j-atoms A 21 CYT H5 R= 2.000 NOE= 2.42 (- 0.10/+ 0.10) Delta= 0.325 E(NOE)= 10.532 ======================================== set-i-atoms A 21 CYT H42 set-j-atoms A 21 CYT H5 R= 3.094 NOE= 3.71 (- 0.10/+ 0.10) Delta= 0.514 E(NOE)= 26.373 ======================================== set-i-atoms A 12 URI H4' set-j-atoms A 13 ADE H8 R= 2.770 NOE= 4.00 (- 1.00/+ 1.00) Delta= 0.230 E(NOE)= 5.289 ======================================== set-i-atoms A 12 URI H1' set-j-atoms A 13 ADE H8 R= 5.333 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.333 E(NOE)= 11.101 ======================================== set-i-atoms A 1 GUA O6 set-j-atoms A 21 CYT H42 R= 3.005 NOE= 1.90 (- 0.10/+ 0.10) Delta= -1.005 E(NOE)= 101.051 ======================================== set-i-atoms A 1 GUA H1 set-j-atoms A 21 CYT N3 R= 2.953 NOE= 1.94 (- 0.10/+ 0.10) Delta= -0.913 E(NOE)= 83.330 ======================================== set-i-atoms A 1 GUA H22 set-j-atoms A 21 CYT O2 R= 2.594 NOE= 1.90 (- 0.10/+ 0.10) Delta= -0.594 E(NOE)= 35.296 ======================================== set-i-atoms A 2 GUA O6 set-j-atoms A 20 CYT H42 R= 2.407 NOE= 1.90 (- 0.10/+ 0.10) Delta= -0.407 E(NOE)= 16.605 ======================================== set-i-atoms A 2 GUA H1 set-j-atoms A 20 CYT N3 R= 2.905 NOE= 1.94 (- 0.10/+ 0.10) Delta= -0.865 E(NOE)= 74.850 ======================================== set-i-atoms A 2 GUA H22 set-j-atoms A 20 CYT O2 R= 2.902 NOE= 1.90 (- 0.10/+ 0.10) Delta= -0.902 E(NOE)= 81.427 ======================================== set-i-atoms A 3 CYT H42 set-j-atoms A 19 GUA O6 R= 2.764 NOE= 1.90 (- 0.10/+ 0.10) Delta= -0.764 E(NOE)= 58.419 ======================================== set-i-atoms A 3 CYT N3 set-j-atoms A 19 GUA H1 R= 2.323 NOE= 1.94 (- 0.10/+ 0.10) Delta= -0.283 E(NOE)= 8.015 ======================================== set-i-atoms A 3 CYT O2 set-j-atoms A 19 GUA H22 R= 2.487 NOE= 1.90 (- 0.10/+ 0.10) Delta= -0.487 E(NOE)= 23.683 ======================================== set-i-atoms A 4 ADE N1 set-j-atoms A 18 URI H3 R= 2.301 NOE= 1.81 (- 0.10/+ 0.10) Delta= -0.391 E(NOE)= 15.269 NOEPRI: RMS diff. = 0.196, #(violat.> 0.2)= 119 of 928 NOEs X-PLOR>print threshold=0.2 noe ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS NIL +++++++++++++++++++++++++++++++++++ for this class: SCALe= 100.000 AVERage=center POTEntial=square-well SQCOnstant= 1.000 SQEXponent= 2 SQOFfset= 0.000 ======================================== set-i-atoms A 7 GUA H8 set-j-atoms A 8 CYT H6 R= 5.286 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.286 E(NOE)= 8.159 ======================================== set-i-atoms A 11 ADE H8 set-j-atoms A 12 URI H6 R= 5.290 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.290 E(NOE)= 8.429 ======================================== set-i-atoms A 12 URI H2' set-j-atoms A 13 ADE H1' R= 5.353 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.353 E(NOE)= 12.453 ======================================== set-i-atoms A 12 URI H6 set-j-atoms A 13 ADE H8 R= 5.352 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.352 E(NOE)= 12.395 NOEPRI: RMS diff. = 0.031, #(violat.> 0.2)= 4 of 928 NOEs ; save_ save_MR_file_comment_24 _Org_constr_file_comment.Sf_framecode MR_file_comment_24 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID rr_1szy _Org_constr_file_comment.ID 7 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 24 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment ; Energy: bond 6.82185, angle 75.9282, dihedral 0, improper 12.9596, NOE 30.7869, c-dihedral 0.377104, planar 11.2312, VdW -272.878, elec -156.266, total -291.039 RMSD: bond 2.128274E-03, angle 0.63725, dihedral 0, improper 0.362077, NOE 1.821415E-02, c-dihedral 8.730925E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 1, c-dihedral 0 X-PLOR> Energy: bond 13.4799, angle 156.74, dihedral 0, improper 16.1502, NOE 73.7451, c-dihedral 7.72301, planar 14.2996, VdW -217.112, elec -151.646, total -86.6203 RMSD: bond 2.923283E-03, angle 0.856688, dihedral 0, improper 0.402924, NOE 2.818983E-02, c-dihedral 0.395114 Violations: bond 0, angle 5, dihedral 0, improper 0, NOE 7, c-dihedral 0 X-PLOR> Energy: bond 5.49434, angle 80.8167, dihedral 0, improper 11.5539, NOE 11.0032, c-dihedral 0.168536, planar 10.971, VdW -295.59, elec -150.824, total -326.407 RMSD: bond 1.885609E-03, angle 0.643418, dihedral 0, improper 0.335364, NOE 1.088895E-02, c-dihedral 5.836815E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 0, c-dihedral 0 X-PLOR> Energy: bond 17.4186, angle 138.517, dihedral 0, improper 16.9854, NOE 214.993, c-dihedral 5.2163, planar 11.3582, VdW -249.783, elec -155.397, total -0.691197 RMSD: bond 3.314792E-03, angle 0.798054, dihedral 0, improper 0.395005, NOE 4.813252E-02, c-dihedral 0.324722 Violations: bond 0, angle 4, dihedral 0, improper 0, NOE 5, c-dihedral 0 X-PLOR> Energy: bond 5.56008, angle 79.9851, dihedral 0, improper 11.3117, NOE 9.74306, c-dihedral 8.297671E-02, planar 10.8271, VdW -294.217, elec -150.812, total -327.519 RMSD: bond 1.88621E-03, angle 0.636034, dihedral 0, improper 0.327116, NOE 1.024646E-02, c-dihedral 4.095508E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 0, c-dihedral 0 X-PLOR> Energy: bond 7.3353, angle 77.8862, dihedral 0, improper 11.2836, NOE 38.8648, c-dihedral 0.536194, planar 10.8003, VdW -285.768, elec -160.194, total -299.256 RMSD: bond 2.186013E-03, angle 0.643811, dihedral 0, improper 0.332809, NOE 2.046466E-02, c-dihedral 0.10411 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 2, c-dihedral 0 X-PLOR> Energy: bond 47.9089, angle 302.448, dihedral 0, improper 53.7644, NOE 335.551, c-dihedral 20.0301, planar 12.2942, VdW -76.8289, elec -151.636, total 543.531 RMSD: bond 5.595598E-03, angle 1.12278, dihedral 0, improper 0.666547, NOE 6.013195E-02, c-dihedral 0.636313 Violations: bond 2, angle 9, dihedral 0, improper 1, NOE 12, c-dihedral 1 X-PLOR> Energy: bond 5.38235, angle 81.2672, dihedral 0, improper 11.4693, NOE 10.38, c-dihedral 0.224272, planar 11.1517, VdW -297.755, elec -156.622, total -334.502 RMSD: bond 1.871638E-03, angle 0.641118, dihedral 0, improper 0.329779, NOE 1.057607E-02, c-dihedral 6.733133E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 0, c-dihedral 0 X-PLOR> Energy: bond 12.9795, angle 145.228, dihedral 0, improper 18.4764, NOE 104.509, c-dihedral 14.7462, planar 12.1111, VdW -230.48, elec -145.001, total -67.4298 RMSD: bond 2.948581E-03, angle 0.817938, dihedral 0, improper 0.45324, NOE 3.355854E-02, c-dihedral 0.545972 Violations: bond 0, angle 3, dihedral 0, improper 0, NOE 5, c-dihedral 1 X-PLOR> Energy: bond 14.1555, angle 146.412, dihedral 0, improper 16.6931, NOE 93.2807, c-dihedral 3.74333, planar 11.7385, VdW -199.13, elec -163.401, total -76.5086 RMSD: bond 2.968463E-03, angle 0.83363, dihedral 0, improper 0.41344, NOE 3.170457E-02, c-dihedral 0.27508 Violations: bond 0, angle 6, dihedral 0, improper 0, NOE 5, c-dihedral 0 X-PLOR> Energy: bond 5.3733, angle 80.3415, dihedral 0, improper 11.1568, NOE 10.4632, c-dihedral 0.201885, planar 11.2012, VdW -298.683, elec -159.944, total -339.888 RMSD: bond 1.857353E-03, angle 0.638548, dihedral 0, improper 0.325363, NOE 1.06184E-02, c-dihedral 6.388247E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 0, c-dihedral 0 X-PLOR> Energy: bond 6.86849, angle 76.5621, dihedral 0, improper 12.9839, NOE 30.7148, c-dihedral 0.301037, planar 11.5348, VdW -273.004, elec -158.195, total -292.234 RMSD: bond 2.135129E-03, angle 0.637426, dihedral 0, improper 0.363439, NOE 1.819282E-02, c-dihedral 7.800802E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 1, c-dihedral 0 X-PLOR> Energy: bond 15.6069, angle 136.799, dihedral 0, improper 16.993, NOE 121.925, c-dihedral 1.01242, planar 11.1758, VdW -204.524, elec -141.84, total -42.8518 RMSD: bond 3.118086E-03, angle 0.823723, dihedral 0, improper 0.448135, NOE 3.624701E-02, c-dihedral 0.143057 Violations: bond 0, angle 2, dihedral 0, improper 0, NOE 8, c-dihedral 0 X-PLOR> Energy: bond 5.44256, angle 81.2518, dihedral 0, improper 11.2316, NOE 10.3389, c-dihedral 0.158032, planar 11.3796, VdW -299.278, elec -156.166, total -335.641 RMSD: bond 1.867033E-03, angle 0.64166, dihedral 0, improper 0.32578, NOE 1.055513E-02, c-dihedral 5.652006E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 0, c-dihedral 0 X-PLOR> Energy: bond 7.83963, angle 103.102, dihedral 0, improper 16.5605, NOE 42.9527, c-dihedral 1.21144, planar 14.4401, VdW -264.943, elec -144.214, total -223.051 RMSD: bond 2.250803E-03, angle 0.717568, dihedral 0, improper 0.438425, NOE 2.151401E-02, c-dihedral 0.156488 Violations: bond 0, angle 2, dihedral 0, improper 0, NOE 3, c-dihedral 0 X-PLOR> Energy: bond 14.7665, angle 114.55, dihedral 0, improper 15.5392, NOE 102.098, c-dihedral 12.817, planar 11.244, VdW -221.362, elec -156.881, total -107.228 RMSD: bond 2.99944E-03, angle 0.744821, dihedral 0, improper 0.380885, NOE 3.316923E-02, c-dihedral 0.509005 Violations: bond 0, angle 1, dihedral 0, improper 0, NOE 5, c-dihedral 1 X-PLOR> Energy: bond 6.04426, angle 82.3145, dihedral 0, improper 11.3813, NOE 12.2905, c-dihedral 0.121711, planar 11.2325, VdW -301.139, elec -154.956, total -332.71 RMSD: bond 1.976642E-03, angle 0.647884, dihedral 0, improper 0.331282, NOE 1.15083E-02, c-dihedral 4.96014E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 0, c-dihedral 0 X-PLOR> Energy: bond 5.55146, angle 81.9342, dihedral 0, improper 11.3297, NOE 9.79527, c-dihedral 0.28896, planar 10.8065, VdW -297.008, elec -158.362, total -335.664 RMSD: bond 1.896888E-03, angle 0.641563, dihedral 0, improper 0.325173, NOE 1.027387E-02, c-dihedral 7.642728E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 0, c-dihedral 0 X-PLOR> Energy: bond 6.46286, angle 88.0539, dihedral 0, improper 11.9755, NOE 16.4402, c-dihedral 0.298963, planar 11.5966, VdW -284.158, elec -156.251, total -305.581 RMSD: bond 2.061992E-03, angle 0.676729, dihedral 0, improper 0.352732, NOE 1.331004E-02, c-dihedral 7.773894E-02 Violations: bond 0, angle 1, dihedral 0, improper 0, NOE 1, c-dihedral 0 X-PLOR> Energy: bond 5.34347, angle 80.531, dihedral 0, improper 11.2726, NOE 10.4319, c-dihedral 0.129335, planar 11.1576, VdW -297.78, elec -159.751, total -338.664 RMSD: bond 1.8552E-03, angle 0.640319, dihedral 0, improper 0.32678, NOE 1.060251E-02, c-dihedral 5.113147E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 0, c-dihedral 0 X-PLOR> Energy: bond 8.05805, angle 87.5132, dihedral 0, improper 15.6142, NOE 33.9665, c-dihedral 1.77375, planar 11.7193, VdW -268.5, elec -140.585, total -250.44 RMSD: bond 2.28512E-03, angle 0.676461, dihedral 0, improper 0.402375, NOE 1.913161E-02, c-dihedral 0.189355 Violations: bond 0, angle 1, dihedral 0, improper 0, NOE 2, c-dihedral 0 X-PLOR> Energy: bond 5.38552, angle 79.8292, dihedral 0, improper 10.9971, NOE 10.6675, c-dihedral 0.195734, planar 11.2265, VdW -298.203, elec -162.185, total -342.086 RMSD: bond 1.863103E-03, angle 0.638561, dihedral 0, improper 0.321073, NOE 1.072153E-02, c-dihedral 6.290168E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 0, c-dihedral 0 X-PLOR> Energy: bond 5.26856, angle 78.4088, dihedral 0, improper 10.8304, NOE 10.6594, c-dihedral 0.126883, planar 11.1955, VdW -296.969, elec -160.947, total -341.427 RMSD: bond 1.840111E-03, angle 0.635118, dihedral 0, improper 0.317483, NOE 1.071745E-02, c-dihedral 5.064444E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 0, c-dihedral 0 X-PLOR> Energy: bond 5.62076, angle 81.751, dihedral 0, improper 11.3325, NOE 10.726, c-dihedral 9.574263E-02, planar 11.2148, VdW -296.91, elec -156.322, total -332.491 RMSD: bond 1.903787E-03, angle 0.644033, dihedral 0, improper 0.32811, NOE 1.07509E-02, c-dihedral 4.399287E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 0, c-dihedral 0 X-PLOR> Energy: bond 6.02136, angle 79.8281, dihedral 0, improper 13.4188, NOE 21.3356, c-dihedral 0.969462, planar 11.5337, VdW -286.637, elec -162.914, total -316.444 RMSD: bond 1.991372E-03, angle 0.641434, dihedral 0, improper 0.39248, NOE 1.516277E-02, c-dihedral 0.139989 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 1, c-dihedral 0 X-PLOR> Energy: bond 7.081, angle 80.5539, dihedral 0, improper 19.1881, NOE 42.6479, c-dihedral 1.6066, planar 13.5833, VdW -267.533, elec -158.45, total -261.323 RMSD: bond 2.186578E-03, angle 0.640659, dihedral 0, improper 0.503011, NOE 2.143754E-02, c-dihedral 0.180212 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 3, c-dihedral 0 X-PLOR> Energy: bond 5.16548, angle 78.8711, dihedral 0, improper 11.0963, NOE 10.4088, c-dihedral 0.174039, planar 11.1508, VdW -295.94, elec -158.751, total -337.824 RMSD: bond 1.835891E-03, angle 0.633608, dihedral 0, improper 0.321732, NOE 1.059076E-02, c-dihedral 5.931346E-02 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 0, c-dihedral 0 X-PLOR> Energy: bond 6.30609, angle 79.3936, dihedral 0, improper 13.4801, NOE 23.1387, c-dihedral 1.03891, planar 11.4371, VdW -292.613, elec -164.211, total -322.029 RMSD: bond 2.008711E-03, angle 0.638578, dihedral 0, improper 0.383185, NOE 1.57905E-02, c-dihedral 0.144917 Violations: bond 0, angle 0, dihedral 0, improper 0, NOE 1, c-dihedral 0 X-PLOR> Energy: bond 3375.12, angle 1077.59, dihedral 0, improper 1351.19, NOE 5140.31, c-dihedral 190.518, planar 408.112, VdW 3321.4, elec -145.675, total 14718.6 RMSD: bond 5.118243E-02, angle 3.00728, dihedral 0, improper 4.65881, NOE 0.235354, c-dihedral 1.96244 Violations: bond 36, angle 50, dihedral 0, improper 53, NOE 108, c-dihedral 6 X-PLOR> Energy: bond 14.1521, angle 120.576, dihedral 0, improper 21.5735, NOE 74.0342, c-dihedral 8.24043, planar 11.2254, VdW -253.816, elec -155.755, total -159.77 RMSD: bond 2.976148E-03, angle 0.781102, dihedral 0, improper 0.519056, NOE 2.824505E-02, c-dihedral 0.408136 Violations: bond 0, angle 1, dihedral 0, improper 0, NOE 5, c-dihedral 0 X-PLOR> X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.087 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.395 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.058 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.325 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.041 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.104 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 ======================================== A 11 ADE O4' A 11 ADE C1' A 11 ADE N9 A 11 ADE C4 Dihedral= -121.332 Energy= 0.014 C= 1.000 Equil= -158.000 Delta= -6.668 Range= 30.000 Exponent= 2 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 1 RMS deviation= 0.636 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.067 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 ======================================== A 13 ADE P A 13 ADE O5' A 13 ADE C5' A 13 ADE C4' Dihedral= 142.714 Energy= 0.009 C= 1.000 Equil= 178.000 Delta= 5.286 Range= 30.000 Exponent= 2 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 1 RMS deviation= 0.546 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.275 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.064 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.078 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.143 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.057 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.156 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 ======================================== A 10 CYT O5' A 10 CYT C5' A 10 CYT C4' A 10 CYT C3' Dihedral= 89.808 Energy= 0.010 C= 1.000 Equil= 54.000 Delta= -5.808 Range= 30.000 Exponent= 2 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 1 RMS deviation= 0.509 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.050 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.076 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.078 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.051 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.189 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.063 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.051 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.044 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.140 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.180 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.059 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.145 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 ======================================== A 1 GUA O4' A 1 GUA C1' A 1 GUA N9 A 1 GUA C4 Dihedral= 165.941 Energy= 0.135 C= 1.000 Equil= -158.000 Delta= 21.059 Range= 15.000 Exponent= 2 ======================================== A 2 GUA C4' A 2 GUA C3' A 2 GUA O3' A 3 CYT P Dihedral= -179.213 Energy= 0.038 C= 1.000 Equil= -153.000 Delta= 11.213 Range= 15.000 Exponent= 2 ======================================== A 2 GUA O4' A 2 GUA C1' A 2 GUA N9 A 2 GUA C4 Dihedral= 179.816 Energy= 0.016 C= 1.000 Equil= -158.000 Delta= 7.184 Range= 15.000 Exponent= 2 ======================================== A 3 CYT P A 3 CYT O5' A 3 CYT C5' A 3 CYT C4' Dihedral= 157.096 Energy= 0.011 C= 1.000 Equil= 178.000 Delta= 5.904 Range= 15.000 Exponent= 2 ======================================== A 3 CYT C4' A 3 CYT C3' A 3 CYT O3' A 4 ADE P Dihedral= -173.658 Energy= 0.010 C= 1.000 Equil= -153.000 Delta= 5.658 Range= 15.000 Exponent= 2 ======================================== A 21 CYT O4' A 21 CYT C1' A 21 CYT N1 A 21 CYT C2 Dihedral= -137.247 Energy= 0.010 C= 1.000 Equil= -158.000 Delta= -5.753 Range= 15.000 Exponent= 2 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 6 RMS deviation= 1.962 X-PLOR>print threshold=5 cdih Total number of dihedral angle restraints= 203 overall scale = 800.0000 Number of dihedral angle restraints= 203 Number of violations greater than 5.000: 0 RMS deviation= 0.408 X-PLOR>print threshold=0.2 noe ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS NIL +++++++++++++++++++++++++++++++++++ for this class: SCALe= 100.000 AVERage=center POTEntial=square-well SQCOnstant= 1.000 SQEXponent= 2 SQOFfset= 0.000 ======================================== set-i-atoms A 12 URI H1' set-j-atoms A 13 ADE H8 R= 5.288 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.288 E(NOE)= 8.276 NOEPRI: RMS diff. = 0.018, #(violat.> 0.2)= 1 of 928 NOEs X-PLOR>print threshold=0.2 noe ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS NIL +++++++++++++++++++++++++++++++++++ for this class: SCALe= 100.000 AVERage=center POTEntial=square-well SQCOnstant= 1.000 SQEXponent= 2 SQOFfset= 0.000 ======================================== set-i-atoms A 9 URI H2' set-j-atoms A 11 ADE H8 R= 4.320 NOE= 3.00 (- 1.00/+ 1.00) Delta= -0.320 E(NOE)= 10.267 ======================================== set-i-atoms A 10 CYT H6 set-j-atoms A 11 ADE H8 R= 2.782 NOE= 4.00 (- 1.00/+ 1.00) Delta= 0.218 E(NOE)= 4.755 ======================================== set-i-atoms A 10 CYT H2' set-j-atoms A 11 ADE H8 R= 3.261 NOE= 2.40 (- 0.60/+ 0.60) Delta= -0.261 E(NOE)= 6.799 ======================================== set-i-atoms A 10 CYT H3' set-j-atoms A 11 ADE H8 R= 3.370 NOE= 2.40 (- 0.60/+ 0.60) Delta= -0.370 E(NOE)= 13.656 ======================================== set-i-atoms A 12 URI H2' set-j-atoms A 13 ADE H8 R= 2.787 NOE= 4.00 (- 1.00/+ 1.00) Delta= 0.213 E(NOE)= 4.519 ======================================== set-i-atoms A 12 URI H2' set-j-atoms A 13 ADE H1' R= 5.317 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.317 E(NOE)= 10.039 ======================================== set-i-atoms A 12 URI H6 set-j-atoms A 13 ADE H8 R= 5.234 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.234 E(NOE)= 5.490 NOEPRI: RMS diff. = 0.028, #(violat.> 0.2)= 7 of 928 NOEs X-PLOR>print threshold=0.2 noe NOEPRI: RMS diff. = 0.011, #(violat.> 0.2)= 0 of 928 NOEs X-PLOR>print threshold=0.2 noe ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS NIL +++++++++++++++++++++++++++++++++++ for this class: SCALe= 100.000 AVERage=center POTEntial=square-well SQCOnstant= 1.000 SQEXponent= 2 SQOFfset= 0.000 ======================================== set-i-atoms A 9 URI H2' set-j-atoms A 11 ADE H8 R= 4.415 NOE= 3.00 (- 1.00/+ 1.00) Delta= -0.415 E(NOE)= 17.246 ======================================== set-i-atoms A 10 CYT H1' set-j-atoms A 11 ADE H8 R= 2.328 NOE= 4.00 (- 1.00/+ 1.00) Delta= 0.672 E(NOE)= 45.151 ======================================== set-i-atoms A 10 CYT H2' set-j-atoms A 11 ADE H8 R= 3.354 NOE= 2.40 (- 0.60/+ 0.60) Delta= -0.354 E(NOE)= 12.539 ======================================== set-i-atoms A 10 CYT H3' set-j-atoms A 11 ADE H8 R= 3.891 NOE= 2.40 (- 0.60/+ 0.60) Delta= -0.891 E(NOE)= 79.392 ======================================== set-i-atoms A 10 CYT H4' set-j-atoms A 11 ADE H8 R= 2.340 NOE= 4.00 (- 1.00/+ 1.00) Delta= 0.660 E(NOE)= 43.547 NOEPRI: RMS diff. = 0.048, #(violat.> 0.2)= 5 of 928 NOEs X-PLOR>print threshold=0.2 noe NOEPRI: RMS diff. = 0.010, #(violat.> 0.2)= 0 of 928 NOEs X-PLOR>print threshold=0.2 noe ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS NIL +++++++++++++++++++++++++++++++++++ for this class: SCALe= 100.000 AVERage=center POTEntial=square-well SQCOnstant= 1.000 SQEXponent= 2 SQOFfset= 0.000 ======================================== set-i-atoms A 12 URI H2' set-j-atoms A 13 ADE H8 R= 2.690 NOE= 4.00 (- 1.00/+ 1.00) Delta= 0.310 E(NOE)= 9.626 ======================================== set-i-atoms A 12 URI H2' set-j-atoms A 13 ADE H1' R= 5.305 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.305 E(NOE)= 9.305 NOEPRI: RMS diff. = 0.020, #(violat.> 0.2)= 2 of 928 NOEs X-PLOR>print threshold=0.2 noe ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS NIL +++++++++++++++++++++++++++++++++++ for this class: SCALe= 100.000 AVERage=center POTEntial=square-well SQCOnstant= 1.000 SQEXponent= 2 SQOFfset= 0.000 ======================================== set-i-atoms A 9 URI H2' set-j-atoms A 10 CYT H6 R= 5.444 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.444 E(NOE)= 19.733 ======================================== set-i-atoms A 9 URI H2' set-j-atoms A 11 ADE H8 R= 4.504 NOE= 3.00 (- 1.00/+ 1.00) Delta= -0.504 E(NOE)= 25.401 ======================================== set-i-atoms A 10 CYT H1' set-j-atoms A 11 ADE H8 R= 5.912 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.912 E(NOE)= 83.138 ======================================== set-i-atoms A 10 CYT H4' set-j-atoms A 11 ADE H8 R= 5.646 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.646 E(NOE)= 41.775 ======================================== set-i-atoms A 11 ADE H2 set-j-atoms A 12 URI H1' R= 5.362 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.362 E(NOE)= 13.074 ======================================== set-i-atoms A 11 ADE H8 set-j-atoms A 12 URI H6 R= 2.779 NOE= 4.00 (- 1.00/+ 1.00) Delta= 0.221 E(NOE)= 4.898 ======================================== set-i-atoms A 11 ADE H2' set-j-atoms A 12 URI H6 R= 4.769 NOE= 3.00 (- 1.00/+ 1.00) Delta= -0.769 E(NOE)= 59.196 ======================================== set-i-atoms A 11 ADE H3' set-j-atoms A 12 URI H6 R= 2.763 NOE= 4.00 (- 1.00/+ 1.00) Delta= 0.237 E(NOE)= 5.627 ======================================== set-i-atoms A 12 URI H6 set-j-atoms A 12 URI H3' R= 4.355 NOE= 3.00 (- 1.00/+ 1.00) Delta= -0.355 E(NOE)= 12.625 ======================================== set-i-atoms A 12 URI H1' set-j-atoms A 12 URI H4' R= 2.724 NOE= 4.00 (- 1.00/+ 1.00) Delta= 0.276 E(NOE)= 7.617 ======================================== set-i-atoms A 12 URI H2' set-j-atoms A 13 ADE H8 R= 2.699 NOE= 4.00 (- 1.00/+ 1.00) Delta= 0.301 E(NOE)= 9.076 ======================================== set-i-atoms A 12 URI H6 set-j-atoms A 13 ADE H8 R= 5.569 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.569 E(NOE)= 32.324 NOEPRI: RMS diff. = 0.060, #(violat.> 0.2)= 12 of 928 NOEs X-PLOR>print threshold=0.2 noe NOEPRI: RMS diff. = 0.011, #(violat.> 0.2)= 0 of 928 NOEs X-PLOR>print threshold=0.2 noe ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS NIL +++++++++++++++++++++++++++++++++++ for this class: SCALe= 100.000 AVERage=center POTEntial=square-well SQCOnstant= 1.000 SQEXponent= 2 SQOFfset= 0.000 ======================================== set-i-atoms A 9 URI H2' set-j-atoms A 11 ADE H8 R= 4.585 NOE= 3.00 (- 1.00/+ 1.00) Delta= -0.585 E(NOE)= 34.212 ======================================== set-i-atoms A 10 CYT H1' set-j-atoms A 11 ADE H8 R= 5.297 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.297 E(NOE)= 8.823 ======================================== set-i-atoms A 11 ADE H8 set-j-atoms A 12 URI H6 R= 5.209 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.209 E(NOE)= 4.348 ======================================== set-i-atoms A 12 URI H2' set-j-atoms A 13 ADE H1' R= 5.344 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.344 E(NOE)= 11.834 ======================================== set-i-atoms A 12 URI H6 set-j-atoms A 13 ADE H8 R= 5.407 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.407 E(NOE)= 16.588 NOEPRI: RMS diff. = 0.034, #(violat.> 0.2)= 5 of 928 NOEs X-PLOR>print threshold=0.2 noe ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS NIL +++++++++++++++++++++++++++++++++++ for this class: SCALe= 100.000 AVERage=center POTEntial=square-well SQCOnstant= 1.000 SQEXponent= 2 SQOFfset= 0.000 ======================================== set-i-atoms A 9 URI H2' set-j-atoms A 11 ADE H8 R= 4.348 NOE= 3.00 (- 1.00/+ 1.00) Delta= -0.348 E(NOE)= 12.100 ======================================== set-i-atoms A 10 CYT H2' set-j-atoms A 11 ADE H8 R= 3.218 NOE= 2.40 (- 0.60/+ 0.60) Delta= -0.218 E(NOE)= 4.735 ======================================== set-i-atoms A 10 CYT H3' set-j-atoms A 11 ADE H8 R= 3.534 NOE= 2.40 (- 0.60/+ 0.60) Delta= -0.534 E(NOE)= 28.473 ======================================== set-i-atoms A 11 ADE H8 set-j-atoms A 11 ADE H3' R= 3.253 NOE= 2.40 (- 0.60/+ 0.60) Delta= -0.253 E(NOE)= 6.419 ======================================== set-i-atoms A 12 URI H6 set-j-atoms A 12 URI H3' R= 4.248 NOE= 3.00 (- 1.00/+ 1.00) Delta= -0.248 E(NOE)= 6.167 NOEPRI: RMS diff. = 0.032, #(violat.> 0.2)= 5 of 928 NOEs X-PLOR>print threshold=0.2 noe NOEPRI: RMS diff. = 0.011, #(violat.> 0.2)= 0 of 928 NOEs X-PLOR>print threshold=0.2 noe ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS NIL +++++++++++++++++++++++++++++++++++ for this class: SCALe= 100.000 AVERage=center POTEntial=square-well SQCOnstant= 1.000 SQEXponent= 2 SQOFfset= 0.000 ======================================== set-i-atoms A 12 URI H1' set-j-atoms A 13 ADE H8 R= 5.285 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.285 E(NOE)= 8.139 NOEPRI: RMS diff. = 0.018, #(violat.> 0.2)= 1 of 928 NOEs X-PLOR>print threshold=0.2 noe ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS NIL +++++++++++++++++++++++++++++++++++ for this class: SCALe= 100.000 AVERage=center POTEntial=square-well SQCOnstant= 1.000 SQEXponent= 2 SQOFfset= 0.000 ======================================== set-i-atoms A 9 URI H1' set-j-atoms A 10 CYT H2' R= 5.333 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.333 E(NOE)= 11.079 ======================================== set-i-atoms A 10 CYT H3' set-j-atoms A 11 ADE H8 R= 3.394 NOE= 2.40 (- 0.60/+ 0.60) Delta= -0.394 E(NOE)= 15.535 ======================================== set-i-atoms A 11 ADE H2 set-j-atoms A 12 URI H1' R= 5.413 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.413 E(NOE)= 17.039 ======================================== set-i-atoms A 11 ADE H8 set-j-atoms A 12 URI H6 R= 5.477 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.477 E(NOE)= 22.766 ======================================== set-i-atoms A 12 URI H2' set-j-atoms A 13 ADE H8 R= 2.762 NOE= 4.00 (- 1.00/+ 1.00) Delta= 0.238 E(NOE)= 5.667 ======================================== set-i-atoms A 12 URI H3' set-j-atoms A 13 ADE H8 R= 3.346 NOE= 2.40 (- 0.60/+ 0.60) Delta= -0.346 E(NOE)= 11.982 ======================================== set-i-atoms A 13 ADE H8 set-j-atoms A 13 ADE H4' R= 4.203 NOE= 3.00 (- 1.00/+ 1.00) Delta= -0.203 E(NOE)= 4.128 ======================================== set-i-atoms A 11 ADE H1' set-j-atoms A 12 URI H6 R= 2.667 NOE= 4.00 (- 1.00/+ 1.00) Delta= 0.333 E(NOE)= 11.059 NOEPRI: RMS diff. = 0.036, #(violat.> 0.2)= 8 of 928 NOEs X-PLOR>print threshold=0.2 noe NOEPRI: RMS diff. = 0.011, #(violat.> 0.2)= 0 of 928 NOEs X-PLOR>print threshold=0.2 noe ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS NIL +++++++++++++++++++++++++++++++++++ for this class: SCALe= 100.000 AVERage=center POTEntial=square-well SQCOnstant= 1.000 SQEXponent= 2 SQOFfset= 0.000 ======================================== set-i-atoms A 11 ADE H8 set-j-atoms A 12 URI H6 R= 5.323 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.323 E(NOE)= 10.449 ======================================== set-i-atoms A 12 URI H4' set-j-atoms A 13 ADE H8 R= 2.773 NOE= 4.00 (- 1.00/+ 1.00) Delta= 0.227 E(NOE)= 5.170 ======================================== set-i-atoms A 12 URI H6 set-j-atoms A 13 ADE H8 R= 5.251 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.251 E(NOE)= 6.325 NOEPRI: RMS diff. = 0.022, #(violat.> 0.2)= 3 of 928 NOEs X-PLOR>print threshold=0.2 noe ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS NIL +++++++++++++++++++++++++++++++++++ for this class: SCALe= 100.000 AVERage=center POTEntial=square-well SQCOnstant= 1.000 SQEXponent= 2 SQOFfset= 0.000 ======================================== set-i-atoms A 9 URI H1' set-j-atoms A 10 CYT H2' R= 5.540 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.540 E(NOE)= 29.125 ======================================== set-i-atoms A 9 URI H1' set-j-atoms A 11 ADE H8 R= 4.245 NOE= 3.00 (- 1.00/+ 1.00) Delta= -0.245 E(NOE)= 5.999 ======================================== set-i-atoms A 9 URI H2' set-j-atoms A 11 ADE H8 R= 4.239 NOE= 3.00 (- 1.00/+ 1.00) Delta= -0.239 E(NOE)= 5.718 ======================================== set-i-atoms A 10 CYT H3' set-j-atoms A 11 ADE H8 R= 3.470 NOE= 2.40 (- 0.60/+ 0.60) Delta= -0.470 E(NOE)= 22.132 ======================================== set-i-atoms A 10 CYT H4' set-j-atoms A 11 ADE H8 R= 2.516 NOE= 4.00 (- 1.00/+ 1.00) Delta= 0.484 E(NOE)= 23.458 NOEPRI: RMS diff. = 0.033, #(violat.> 0.2)= 5 of 928 NOEs X-PLOR>print threshold=0.2 noe NOEPRI: RMS diff. = 0.012, #(violat.> 0.2)= 0 of 928 NOEs X-PLOR>print threshold=0.2 noe NOEPRI: RMS diff. = 0.010, #(violat.> 0.2)= 0 of 928 NOEs X-PLOR>print threshold=0.2 noe ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS NIL +++++++++++++++++++++++++++++++++++ for this class: SCALe= 100.000 AVERage=center POTEntial=square-well SQCOnstant= 1.000 SQEXponent= 2 SQOFfset= 0.000 ======================================== set-i-atoms A 9 URI H6 set-j-atoms A 9 URI H2' R= 4.226 NOE= 3.00 (- 1.00/+ 1.00) Delta= -0.226 E(NOE)= 5.104 NOEPRI: RMS diff. = 0.013, #(violat.> 0.2)= 1 of 928 NOEs X-PLOR>print threshold=0.2 noe NOEPRI: RMS diff. = 0.011, #(violat.> 0.2)= 0 of 928 NOEs X-PLOR>print threshold=0.2 noe ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS NIL +++++++++++++++++++++++++++++++++++ for this class: SCALe= 100.000 AVERage=center POTEntial=square-well SQCOnstant= 1.000 SQEXponent= 2 SQOFfset= 0.000 ======================================== set-i-atoms A 12 URI H2' set-j-atoms A 13 ADE H1' R= 5.315 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.315 E(NOE)= 9.949 ======================================== set-i-atoms A 13 ADE H1' set-j-atoms A 14 ADE H1' R= 4.218 NOE= 3.00 (- 1.00/+ 1.00) Delta= -0.218 E(NOE)= 4.761 NOEPRI: RMS diff. = 0.019, #(violat.> 0.2)= 2 of 928 NOEs X-PLOR>print threshold=0.2 noe NOEPRI: RMS diff. = 0.011, #(violat.> 0.2)= 0 of 928 NOEs X-PLOR>print threshold=0.2 noe NOEPRI: RMS diff. = 0.011, #(violat.> 0.2)= 0 of 928 NOEs X-PLOR>print threshold=0.2 noe NOEPRI: RMS diff. = 0.011, #(violat.> 0.2)= 0 of 928 NOEs X-PLOR>print threshold=0.2 noe ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS NIL +++++++++++++++++++++++++++++++++++ for this class: SCALe= 100.000 AVERage=center POTEntial=square-well SQCOnstant= 1.000 SQEXponent= 2 SQOFfset= 0.000 ======================================== set-i-atoms A 11 ADE H8 set-j-atoms A 12 URI H6 R= 5.259 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.259 E(NOE)= 6.692 NOEPRI: RMS diff. = 0.015, #(violat.> 0.2)= 1 of 928 NOEs X-PLOR>print threshold=0.2 noe ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS NIL +++++++++++++++++++++++++++++++++++ for this class: SCALe= 100.000 AVERage=center POTEntial=square-well SQCOnstant= 1.000 SQEXponent= 2 SQOFfset= 0.000 ======================================== set-i-atoms A 11 ADE H8 set-j-atoms A 12 URI H6 R= 5.333 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.333 E(NOE)= 11.113 ======================================== set-i-atoms A 12 URI H4' set-j-atoms A 13 ADE H8 R= 2.771 NOE= 4.00 (- 1.00/+ 1.00) Delta= 0.229 E(NOE)= 5.243 ======================================== set-i-atoms A 12 URI H6 set-j-atoms A 13 ADE H8 R= 5.292 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.292 E(NOE)= 8.536 NOEPRI: RMS diff. = 0.021, #(violat.> 0.2)= 3 of 928 NOEs X-PLOR>print threshold=0.2 noe NOEPRI: RMS diff. = 0.011, #(violat.> 0.2)= 0 of 928 NOEs X-PLOR>print threshold=0.2 noe ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS NIL +++++++++++++++++++++++++++++++++++ for this class: SCALe= 100.000 AVERage=center POTEntial=square-well SQCOnstant= 1.000 SQEXponent= 2 SQOFfset= 0.000 ======================================== set-i-atoms A 11 ADE H8 set-j-atoms A 12 URI H6 R= 5.288 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.288 E(NOE)= 8.315 NOEPRI: RMS diff. = 0.016, #(violat.> 0.2)= 1 of 928 NOEs X-PLOR>print threshold=0.2 noe ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS NIL +++++++++++++++++++++++++++++++++++ for this class: SCALe= 100.000 AVERage=center POTEntial=square-well SQCOnstant= 1.000 SQEXponent= 2 SQOFfset= 0.000 ======================================== set-i-atoms A 1 GUA H1' set-j-atoms A 1 GUA H3' R= 3.548 NOE= 3.86 (- 0.10/+ 0.10) Delta= 0.209 E(NOE)= 4.386 ======================================== set-i-atoms A 1 GUA H1' set-j-atoms A 1 GUA H21 R= 6.092 NOE= 4.77 (- 0.10/+ 0.10) Delta= -1.218 E(NOE)= 148.414 ======================================== set-i-atoms A 1 GUA H1' set-j-atoms A 1 GUA H8 R= 3.294 NOE= 3.73 (- 0.10/+ 0.10) Delta= 0.333 E(NOE)= 11.096 ======================================== set-i-atoms A 1 GUA H1' set-j-atoms A 2 GUA H8 R= 2.935 NOE= 4.32 (- 0.10/+ 0.10) Delta= 1.284 E(NOE)= 164.902 ======================================== set-i-atoms A 1 GUA H2' set-j-atoms A 1 GUA H21 R= 4.001 NOE= 4.70 (- 0.10/+ 0.10) Delta= 0.601 E(NOE)= 36.092 ======================================== set-i-atoms A 1 GUA H2' set-j-atoms A 1 GUA H8 R= 4.480 NOE= 4.15 (- 0.10/+ 0.10) Delta= -0.231 E(NOE)= 5.352 ======================================== set-i-atoms A 1 GUA H2' set-j-atoms A 2 GUA H1' R= 4.578 NOE= 4.19 (- 0.10/+ 0.10) Delta= -0.285 E(NOE)= 8.138 ======================================== set-i-atoms A 1 GUA H2' set-j-atoms A 2 GUA H5'' R= 3.822 NOE= 4.27 (- 0.10/+ 0.10) Delta= 0.346 E(NOE)= 11.988 ======================================== set-i-atoms A 1 GUA H3' set-j-atoms A 1 GUA H8 R= 3.562 NOE= 3.20 (- 0.10/+ 0.10) Delta= -0.266 E(NOE)= 7.075 ======================================== set-i-atoms A 1 GUA H3' set-j-atoms A 2 GUA H8 R= 3.831 NOE= 3.02 (- 0.10/+ 0.10) Delta= -0.707 E(NOE)= 50.055 ======================================== set-i-atoms A 1 GUA H21 set-j-atoms A 2 GUA H1' R= 4.136 NOE= 3.25 (- 0.10/+ 0.10) Delta= -0.781 E(NOE)= 60.955 ======================================== set-i-atoms A 1 GUA H21 set-j-atoms A 2 GUA H8 R= 3.300 NOE= 4.88 (- 0.10/+ 0.10) Delta= 1.476 E(NOE)= 217.784 ======================================== set-i-atoms A 1 GUA H22 set-j-atoms A 2 GUA H1' R= 4.731 NOE= 4.21 (- 0.10/+ 0.10) Delta= -0.426 E(NOE)= 18.168 ======================================== set-i-atoms A 1 GUA H22 set-j-atoms A 2 GUA H21 R= 4.080 NOE= 4.77 (- 0.10/+ 0.10) Delta= 0.593 E(NOE)= 35.167 ======================================== set-i-atoms A 1 GUA H22 set-j-atoms A 2 GUA H1 R= 5.321 NOE= 4.79 (- 0.10/+ 0.10) Delta= -0.431 E(NOE)= 18.536 ======================================== set-i-atoms A 1 GUA H22 set-j-atoms A 21 CYT H1' R= 3.191 NOE= 4.32 (- 0.10/+ 0.10) Delta= 1.026 E(NOE)= 105.168 ======================================== set-i-atoms A 1 GUA H22 set-j-atoms A 21 CYT H2' R= 5.463 NOE= 4.67 (- 0.10/+ 0.10) Delta= -0.696 E(NOE)= 48.504 ======================================== set-i-atoms A 1 GUA H22 set-j-atoms A 21 CYT H42 R= 4.246 NOE= 4.57 (- 0.10/+ 0.10) Delta= 0.220 E(NOE)= 4.826 ======================================== set-i-atoms A 1 GUA H1 set-j-atoms A 21 CYT H41 R= 4.424 NOE= 4.02 (- 0.10/+ 0.10) Delta= -0.301 E(NOE)= 9.087 ======================================== set-i-atoms A 1 GUA H1 set-j-atoms A 21 CYT H42 R= 2.945 NOE= 2.48 (- 0.10/+ 0.10) Delta= -0.366 E(NOE)= 13.368 ======================================== set-i-atoms A 2 GUA H1' set-j-atoms A 2 GUA H21 R= 5.587 NOE= 4.78 (- 0.10/+ 0.10) Delta= -0.712 E(NOE)= 50.716 ======================================== set-i-atoms A 2 GUA H1' set-j-atoms A 2 GUA H8 R= 3.229 NOE= 3.73 (- 0.10/+ 0.10) Delta= 0.398 E(NOE)= 15.808 ======================================== set-i-atoms A 2 GUA H1' set-j-atoms A 3 CYT H6 R= 3.650 NOE= 4.30 (- 0.10/+ 0.10) Delta= 0.548 E(NOE)= 30.019 ======================================== set-i-atoms A 2 GUA H2' set-j-atoms A 3 CYT H1' R= 3.544 NOE= 4.19 (- 0.10/+ 0.10) Delta= 0.548 E(NOE)= 30.070 ======================================== set-i-atoms A 2 GUA H2' set-j-atoms A 3 CYT H3' R= 3.855 NOE= 4.26 (- 0.10/+ 0.10) Delta= 0.308 E(NOE)= 9.493 ======================================== set-i-atoms A 2 GUA H2' set-j-atoms A 3 CYT H4' R= 3.998 NOE= 4.44 (- 0.10/+ 0.10) Delta= 0.344 E(NOE)= 11.808 ======================================== set-i-atoms A 2 GUA H2' set-j-atoms A 3 CYT H5'' R= 3.715 NOE= 4.27 (- 0.10/+ 0.10) Delta= 0.453 E(NOE)= 20.541 ======================================== set-i-atoms A 2 GUA H3' set-j-atoms A 2 GUA H8 R= 3.624 NOE= 3.20 (- 0.10/+ 0.10) Delta= -0.328 E(NOE)= 10.770 ======================================== set-i-atoms A 2 GUA H3' set-j-atoms A 3 CYT H5' R= 4.402 NOE= 3.96 (- 0.10/+ 0.10) Delta= -0.344 E(NOE)= 11.827 ======================================== set-i-atoms A 2 GUA H3' set-j-atoms A 3 CYT H5'' R= 5.334 NOE= 4.91 (- 0.10/+ 0.10) Delta= -0.326 E(NOE)= 10.618 ======================================== set-i-atoms A 2 GUA H3' set-j-atoms A 3 CYT H5 R= 3.617 NOE= 3.31 (- 0.10/+ 0.10) Delta= -0.203 E(NOE)= 4.141 ======================================== set-i-atoms A 2 GUA H5'' set-j-atoms A 2 GUA H8 R= 4.670 NOE= 4.37 (- 0.10/+ 0.10) Delta= -0.202 E(NOE)= 4.076 ======================================== set-i-atoms A 2 GUA H21 set-j-atoms A 3 CYT H1' R= 4.713 NOE= 3.25 (- 0.10/+ 0.10) Delta= -1.358 E(NOE)= 184.306 ======================================== set-i-atoms A 2 GUA H21 set-j-atoms A 3 CYT H6 R= 3.344 NOE= 4.83 (- 0.10/+ 0.10) Delta= 1.382 E(NOE)= 191.068 ======================================== set-i-atoms A 2 GUA H21 set-j-atoms A 21 CYT H1' R= 5.438 NOE= 4.49 (- 0.10/+ 0.10) Delta= -0.845 E(NOE)= 71.346 ======================================== set-i-atoms A 2 GUA H22 set-j-atoms A 3 CYT H1' R= 5.782 NOE= 4.21 (- 0.10/+ 0.10) Delta= -1.477 E(NOE)= 218.028 ======================================== set-i-atoms A 2 GUA H22 set-j-atoms A 19 GUA H21 R= 5.457 NOE= 4.57 (- 0.10/+ 0.10) Delta= -0.786 E(NOE)= 61.802 ======================================== set-i-atoms A 2 GUA H22 set-j-atoms A 19 GUA H22 R= 4.351 NOE= 3.56 (- 0.10/+ 0.10) Delta= -0.686 E(NOE)= 47.000 ======================================== set-i-atoms A 2 GUA H22 set-j-atoms A 20 CYT H1' R= 5.317 NOE= 4.32 (- 0.10/+ 0.10) Delta= -0.900 E(NOE)= 80.951 ======================================== set-i-atoms A 2 GUA H22 set-j-atoms A 20 CYT H2' R= 5.642 NOE= 4.67 (- 0.10/+ 0.10) Delta= -0.876 E(NOE)= 76.737 ======================================== set-i-atoms A 2 GUA H22 set-j-atoms A 20 CYT H42 R= 4.164 NOE= 4.57 (- 0.10/+ 0.10) Delta= 0.302 E(NOE)= 9.140 ======================================== set-i-atoms A 2 GUA H22 set-j-atoms A 21 CYT H1' R= 4.980 NOE= 4.37 (- 0.10/+ 0.10) Delta= -0.506 E(NOE)= 25.568 ======================================== set-i-atoms A 2 GUA H22 set-j-atoms A 21 CYT H6 R= 5.651 NOE= 4.96 (- 0.10/+ 0.10) Delta= -0.590 E(NOE)= 34.808 ======================================== set-i-atoms A 2 GUA H8 set-j-atoms A 3 CYT H5 R= 4.792 NOE= 3.90 (- 0.10/+ 0.10) Delta= -0.793 E(NOE)= 62.916 ======================================== set-i-atoms A 2 GUA H1 set-j-atoms A 3 CYT H41 R= 3.338 NOE= 4.35 (- 0.10/+ 0.10) Delta= 0.915 E(NOE)= 83.778 ======================================== set-i-atoms A 2 GUA H1 set-j-atoms A 3 CYT H42 R= 2.302 NOE= 3.75 (- 0.10/+ 0.10) Delta= 1.346 E(NOE)= 181.198 ======================================== set-i-atoms A 2 GUA H1 set-j-atoms A 19 GUA H1 R= 2.658 NOE= 3.52 (- 0.10/+ 0.10) Delta= 0.762 E(NOE)= 58.061 ======================================== set-i-atoms A 2 GUA H1 set-j-atoms A 21 CYT H42 R= 2.643 NOE= 3.89 (- 0.10/+ 0.10) Delta= 1.145 E(NOE)= 131.159 ======================================== set-i-atoms A 2 GUA H1 set-j-atoms A 21 CYT H5 R= 5.575 NOE= 4.40 (- 0.10/+ 0.10) Delta= -1.077 E(NOE)= 116.041 ======================================== set-i-atoms A 3 CYT H1' set-j-atoms A 4 ADE H5' R= 4.309 NOE= 4.68 (- 0.10/+ 0.10) Delta= 0.267 E(NOE)= 7.153 ======================================== set-i-atoms A 3 CYT H2' set-j-atoms A 4 ADE H1' R= 3.767 NOE= 4.19 (- 0.10/+ 0.10) Delta= 0.325 E(NOE)= 10.577 ======================================== set-i-atoms A 3 CYT H2' set-j-atoms A 4 ADE H4' R= 4.055 NOE= 4.44 (- 0.10/+ 0.10) Delta= 0.287 E(NOE)= 8.250 ======================================== set-i-atoms A 3 CYT H2' set-j-atoms A 19 GUA H22 R= 5.199 NOE= 4.67 (- 0.10/+ 0.10) Delta= -0.433 E(NOE)= 18.736 ======================================== set-i-atoms A 3 CYT H3' set-j-atoms A 3 CYT H5' R= 4.020 NOE= 3.69 (- 0.10/+ 0.10) Delta= -0.234 E(NOE)= 5.489 ======================================== set-i-atoms A 3 CYT H3' set-j-atoms A 4 ADE H5'' R= 5.228 NOE= 4.91 (- 0.10/+ 0.10) Delta= -0.220 E(NOE)= 4.829 ======================================== set-i-atoms A 3 CYT H3' set-j-atoms A 4 ADE H8 R= 3.462 NOE= 3.03 (- 0.10/+ 0.10) Delta= -0.329 E(NOE)= 10.799 ======================================== set-i-atoms A 3 CYT H5'' set-j-atoms A 3 CYT H6 R= 3.531 NOE= 4.06 (- 0.10/+ 0.10) Delta= 0.425 E(NOE)= 18.060 ======================================== set-i-atoms A 3 CYT HO2' set-j-atoms A 4 ADE H5' R= 2.618 NOE= 2.94 (- 0.10/+ 0.10) Delta= 0.223 E(NOE)= 4.972 ======================================== set-i-atoms A 3 CYT H41 set-j-atoms A 4 ADE H62 R= 5.064 NOE= 4.59 (- 0.10/+ 0.10) Delta= -0.371 E(NOE)= 13.751 ======================================== set-i-atoms A 3 CYT H41 set-j-atoms A 4 ADE H61 R= 4.117 NOE= 3.57 (- 0.10/+ 0.10) Delta= -0.451 E(NOE)= 20.349 ======================================== set-i-atoms A 3 CYT H41 set-j-atoms A 19 GUA H1 R= 4.798 NOE= 4.02 (- 0.10/+ 0.10) Delta= -0.675 E(NOE)= 45.496 ======================================== set-i-atoms A 3 CYT H41 set-j-atoms A 20 CYT H41 R= 5.181 NOE= 4.82 (- 0.10/+ 0.10) Delta= -0.264 E(NOE)= 6.970 ======================================== set-i-atoms A 3 CYT H41 set-j-atoms A 20 CYT H42 R= 4.059 NOE= 3.71 (- 0.10/+ 0.10) Delta= -0.254 E(NOE)= 6.467 ======================================== set-i-atoms A 3 CYT H42 set-j-atoms A 4 ADE H61 R= 3.336 NOE= 3.02 (- 0.10/+ 0.10) Delta= -0.211 E(NOE)= 4.451 ======================================== set-i-atoms A 3 CYT H42 set-j-atoms A 19 GUA H22 R= 3.770 NOE= 4.57 (- 0.10/+ 0.10) Delta= 0.697 E(NOE)= 48.626 ======================================== set-i-atoms A 3 CYT H42 set-j-atoms A 19 GUA H1 R= 3.360 NOE= 2.48 (- 0.10/+ 0.10) Delta= -0.781 E(NOE)= 61.037 ======================================== set-i-atoms A 3 CYT H5 set-j-atoms A 4 ADE H61 R= 5.939 NOE= 4.82 (- 0.10/+ 0.10) Delta= -1.018 E(NOE)= 103.598 ======================================== set-i-atoms A 4 ADE H1' set-j-atoms A 19 GUA H21 R= 5.417 NOE= 4.49 (- 0.10/+ 0.10) Delta= -0.823 E(NOE)= 67.783 ======================================== set-i-atoms A 4 ADE H1' set-j-atoms A 19 GUA H22 R= 3.993 NOE= 4.37 (- 0.10/+ 0.10) Delta= 0.281 E(NOE)= 7.920 ======================================== set-i-atoms A 4 ADE H62 set-j-atoms A 18 URI H3 R= 2.743 NOE= 2.40 (- 0.10/+ 0.10) Delta= -0.247 E(NOE)= 6.114 ======================================== set-i-atoms A 4 ADE H62 set-j-atoms A 19 GUA H1 R= 3.945 NOE= 4.42 (- 0.10/+ 0.10) Delta= 0.373 E(NOE)= 13.909 ======================================== set-i-atoms A 4 ADE H61 set-j-atoms A 18 URI H3 R= 4.272 NOE= 3.96 (- 0.10/+ 0.10) Delta= -0.213 E(NOE)= 4.547 ======================================== set-i-atoms A 4 ADE H2 set-j-atoms A 19 GUA H1' R= 5.852 NOE= 4.66 (- 0.10/+ 0.10) Delta= -1.094 E(NOE)= 119.630 ======================================== set-i-atoms A 18 URI H1' set-j-atoms A 19 GUA H5' R= 5.101 NOE= 4.68 (- 0.10/+ 0.10) Delta= -0.324 E(NOE)= 10.480 ======================================== set-i-atoms A 18 URI HO2' set-j-atoms A 19 GUA H4' R= 4.077 NOE= 3.52 (- 0.10/+ 0.10) Delta= -0.456 E(NOE)= 20.826 ======================================== set-i-atoms A 18 URI H6 set-j-atoms A 19 GUA H8 R= 4.432 NOE= 4.76 (- 0.10/+ 0.10) Delta= 0.229 E(NOE)= 5.263 ======================================== set-i-atoms A 19 GUA H1' set-j-atoms A 19 GUA H21 R= 4.460 NOE= 4.78 (- 0.10/+ 0.10) Delta= 0.215 E(NOE)= 4.606 ======================================== set-i-atoms A 19 GUA H1' set-j-atoms A 20 CYT H5' R= 5.027 NOE= 4.68 (- 0.10/+ 0.10) Delta= -0.249 E(NOE)= 6.218 ======================================== set-i-atoms A 19 GUA H2' set-j-atoms A 19 GUA H8 R= 3.760 NOE= 4.15 (- 0.10/+ 0.10) Delta= 0.289 E(NOE)= 8.324 ======================================== set-i-atoms A 19 GUA H3' set-j-atoms A 19 GUA H8 R= 2.783 NOE= 3.20 (- 0.10/+ 0.10) Delta= 0.313 E(NOE)= 9.807 ======================================== set-i-atoms A 19 GUA H4' set-j-atoms A 20 CYT H5' R= 4.516 NOE= 4.17 (- 0.10/+ 0.10) Delta= -0.249 E(NOE)= 6.201 ======================================== set-i-atoms A 19 GUA HO2' set-j-atoms A 20 CYT H4' R= 3.848 NOE= 3.52 (- 0.10/+ 0.10) Delta= -0.227 E(NOE)= 5.168 ======================================== set-i-atoms A 19 GUA H21 set-j-atoms A 19 GUA H1 R= 3.152 NOE= 3.48 (- 0.10/+ 0.10) Delta= 0.228 E(NOE)= 5.212 ======================================== set-i-atoms A 19 GUA H21 set-j-atoms A 20 CYT H1' R= 4.353 NOE= 3.25 (- 0.10/+ 0.10) Delta= -0.998 E(NOE)= 99.604 ======================================== set-i-atoms A 19 GUA H21 set-j-atoms A 20 CYT H6 R= 5.625 NOE= 4.83 (- 0.10/+ 0.10) Delta= -0.699 E(NOE)= 48.820 ======================================== set-i-atoms A 19 GUA H22 set-j-atoms A 20 CYT H1' R= 5.109 NOE= 4.21 (- 0.10/+ 0.10) Delta= -0.804 E(NOE)= 64.721 ======================================== set-i-atoms A 19 GUA H8 set-j-atoms A 20 CYT H5 R= 3.185 NOE= 3.90 (- 0.10/+ 0.10) Delta= 0.614 E(NOE)= 37.734 ======================================== set-i-atoms A 19 GUA H1 set-j-atoms A 20 CYT H41 R= 4.682 NOE= 4.35 (- 0.10/+ 0.10) Delta= -0.229 E(NOE)= 5.245 ======================================== set-i-atoms A 19 GUA H1 set-j-atoms A 20 CYT H5 R= 5.722 NOE= 4.95 (- 0.10/+ 0.10) Delta= -0.672 E(NOE)= 45.190 ======================================== set-i-atoms A 20 CYT H3' set-j-atoms A 20 CYT H5'' R= 3.400 NOE= 3.08 (- 0.10/+ 0.10) Delta= -0.215 E(NOE)= 4.613 ======================================== set-i-atoms A 20 CYT H3' set-j-atoms A 20 CYT H5 R= 4.432 NOE= 4.77 (- 0.10/+ 0.10) Delta= 0.237 E(NOE)= 5.618 ======================================== set-i-atoms A 20 CYT H42 set-j-atoms A 21 CYT H42 R= 2.710 NOE= 3.26 (- 0.10/+ 0.10) Delta= 0.454 E(NOE)= 20.609 ======================================== set-i-atoms A 20 CYT H6 set-j-atoms A 21 CYT H5 R= 4.383 NOE= 4.00 (- 0.10/+ 0.10) Delta= -0.282 E(NOE)= 7.943 ======================================== set-i-atoms A 21 CYT H2' set-j-atoms A 21 CYT H6 R= 3.620 NOE= 4.00 (- 0.10/+ 0.10) Delta= 0.279 E(NOE)= 7.772 ======================================== set-i-atoms A 21 CYT H41 set-j-atoms A 21 CYT H6 R= 4.333 NOE= 4.65 (- 0.10/+ 0.10) Delta= 0.217 E(NOE)= 4.710 ======================================== set-i-atoms A 21 CYT H42 set-j-atoms A 21 CYT H5 R= 3.000 NOE= 3.71 (- 0.10/+ 0.10) Delta= 0.608 E(NOE)= 36.945 ======================================== set-i-atoms A 12 URI H4' set-j-atoms A 13 ADE H8 R= 2.790 NOE= 4.00 (- 1.00/+ 1.00) Delta= 0.210 E(NOE)= 4.396 ======================================== set-i-atoms A 12 URI H1' set-j-atoms A 13 ADE H8 R= 5.282 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.282 E(NOE)= 7.944 ======================================== set-i-atoms A 1 GUA O6 set-j-atoms A 21 CYT H42 R= 3.724 NOE= 1.90 (- 0.10/+ 0.10) Delta= -1.724 E(NOE)= 297.350 ======================================== set-i-atoms A 1 GUA H1 set-j-atoms A 21 CYT N3 R= 3.028 NOE= 1.94 (- 0.10/+ 0.10) Delta= -0.988 E(NOE)= 97.652 ======================================== set-i-atoms A 1 GUA H22 set-j-atoms A 21 CYT O2 R= 2.550 NOE= 1.90 (- 0.10/+ 0.10) Delta= -0.550 E(NOE)= 30.274 ======================================== set-i-atoms A 2 GUA O6 set-j-atoms A 20 CYT H42 R= 2.650 NOE= 1.90 (- 0.10/+ 0.10) Delta= -0.650 E(NOE)= 42.272 ======================================== set-i-atoms A 2 GUA H1 set-j-atoms A 20 CYT N3 R= 3.201 NOE= 1.94 (- 0.10/+ 0.10) Delta= -1.161 E(NOE)= 134.774 ======================================== set-i-atoms A 2 GUA H22 set-j-atoms A 20 CYT O2 R= 3.313 NOE= 1.90 (- 0.10/+ 0.10) Delta= -1.313 E(NOE)= 172.303 ======================================== set-i-atoms A 3 CYT H42 set-j-atoms A 19 GUA O6 R= 3.269 NOE= 1.90 (- 0.10/+ 0.10) Delta= -1.269 E(NOE)= 161.034 ======================================== set-i-atoms A 3 CYT N3 set-j-atoms A 19 GUA H1 R= 2.494 NOE= 1.94 (- 0.10/+ 0.10) Delta= -0.454 E(NOE)= 20.640 ======================================== set-i-atoms A 3 CYT O2 set-j-atoms A 19 GUA H22 R= 2.669 NOE= 1.90 (- 0.10/+ 0.10) Delta= -0.669 E(NOE)= 44.810 ======================================== set-i-atoms A 4 ADE N1 set-j-atoms A 18 URI H3 R= 2.198 NOE= 1.81 (- 0.10/+ 0.10) Delta= -0.288 E(NOE)= 8.275 NOEPRI: RMS diff. = 0.235, #(violat.> 0.2)= 108 of 928 NOEs X-PLOR>print threshold=0.2 noe ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS NIL +++++++++++++++++++++++++++++++++++ for this class: SCALe= 100.000 AVERage=center POTEntial=square-well SQCOnstant= 1.000 SQEXponent= 2 SQOFfset= 0.000 ======================================== set-i-atoms A 7 GUA H8 set-j-atoms A 8 CYT H6 R= 5.257 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.257 E(NOE)= 6.584 ======================================== set-i-atoms A 9 URI H1' set-j-atoms A 11 ADE H8 R= 4.272 NOE= 3.00 (- 1.00/+ 1.00) Delta= -0.272 E(NOE)= 7.404 ======================================== set-i-atoms A 11 ADE H8 set-j-atoms A 12 URI H6 R= 5.280 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.280 E(NOE)= 7.859 ======================================== set-i-atoms A 12 URI H2' set-j-atoms A 13 ADE H1' R= 5.307 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.307 E(NOE)= 9.442 ======================================== set-i-atoms A 12 URI H6 set-j-atoms A 13 ADE H8 R= 5.367 NOE= 4.00 (- 1.00/+ 1.00) Delta= -0.367 E(NOE)= 13.490 NOEPRI: RMS diff. = 0.028, #(violat.> 0.2)= 5 of 928 NOEs ; save_ save_MR_file_comment_18 _Org_constr_file_comment.Sf_framecode MR_file_comment_18 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID rr_1szy _Org_constr_file_comment.ID 6 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 18 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment ; perl -ne 'print if /^Ener/ .. /^ X-PLOR/' make-template.??.out > make-template.summary restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=7:H8 \ /grpat2=8:H6 restraint/ at1=XXX /at2=XXX \ /r1=1.500 /r2=2.000 /r3=4.000 /r4=4.500 /k2=XXX /k3=XXX \ /grpat1=7:H8 \ /grpat2=8:H5 restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=7:H1' \ /grpat2=8:H6 restraint/ at1=XXX /at2=XXX \ /r1=1.300 /r2=1.800 /r3=3.000 /r4=3.500 /k2=XXX /k3=XXX \ /grpat1=7:H2' \ /grpat2=8:H6 restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=7:H2' \ /grpat2=8:H1' restraint/ at1=XXX /at2=XXX \ /r1=1.300 /r2=1.800 /r3=3.000 /r4=3.500 /k2=XXX /k3=XXX \ /grpat1=7:H2' \ /grpat2=8:H5 restraint/ at1=XXX /at2=XXX \ /r1=1.500 /r2=2.000 /r3=4.000 /r4=4.500 /k2=XXX /k3=XXX \ /grpat1=7:H3' \ /grpat2=8:H6 restraint/ at1=XXX /at2=XXX \ /r1=1.300 /r2=1.800 /r3=3.000 /r4=3.500 /k2=XXX /k3=XXX \ /grpat1=7:H3' \ /grpat2=8:H5 restraint/ at1=XXX /at2=XXX \ /r1=1.500 /r2=2.000 /r3=4.000 /r4=4.500 /k2=XXX /k3=XXX \ /grpat1=8:H6 \ /grpat2=8:H1' restraint/ at1=XXX /at2=XXX \ /r1=1.300 /r2=1.800 /r3=3.000 /r4=3.500 /k2=XXX /k3=XXX \ /grpat1=8:H6 \ /grpat2=8:H5 restraint/ at1=XXX /at2=XXX \ /r1=1.500 /r2=2.000 /r3=4.000 /r4=4.500 /k2=XXX /k3=XXX \ /grpat1=8:H6 \ /grpat2=8:H2' restraint/ at1=XXX /at2=XXX \ /r1=1.500 /r2=2.000 /r3=4.000 /r4=4.500 /k2=XXX /k3=XXX \ /grpat1=8:H6 \ /grpat2=8:H3' restraint/ at1=XXX /at2=XXX \ /r1=1.500 /r2=2.000 /r3=4.000 /r4=4.500 /k2=XXX /k3=XXX \ /grpat1=8:H6 \ /grpat2=8:H4' restraint/ at1=XXX /at2=XXX \ /r1=0.700 /r2=1.200 /r3=6.800 /r4=7.300 /k2=XXX /k3=XXX \ /grpat1=8:H6 \ /grpat2=8:H5' restraint/ at1=XXX /at2=XXX \ /r1=1.300 /r2=1.800 /r3=3.000 /r4=3.500 /k2=XXX /k3=XXX \ /grpat1=8:H1' \ /grpat2=8:H2' restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=8:H1' \ /grpat2=8:H3' restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=8:H1' \ /grpat2=8:H4' restraint/ at1=XXX /at2=XXX \ /r1=0.700 /r2=1.200 /r3=6.800 /r4=7.300 /k2=XXX /k3=XXX \ /grpat1=8:H1' \ /grpat2=8:H5' restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=8:H1' \ /grpat2=9:H6 restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=8:H5 \ /grpat2=8:H3' restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=8:H5 \ /grpat2=9:H5 restraint/ at1=XXX /at2=XXX \ /r1=1.300 /r2=1.800 /r3=3.000 /r4=3.500 /k2=XXX /k3=XXX \ /grpat1=8:H2' \ /grpat2=9:H6 restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=8:H2' \ /grpat2=9:H1' restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=8:H2' \ /grpat2=9:H5 restraint/ at1=XXX /at2=XXX \ /r1=1.500 /r2=2.000 /r3=4.000 /r4=4.500 /k2=XXX /k3=XXX \ /grpat1=8:H3' \ /grpat2=9:H6 restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=8:H3' \ /grpat2=9:H5 restraint/ at1=XXX /at2=XXX \ /r1=0.700 /r2=1.200 /r3=6.800 /r4=7.300 /k2=XXX /k3=XXX \ /grpat1=8:H5' \ /grpat2=9:H6 restraint/ at1=XXX /at2=XXX \ /r1=1.500 /r2=2.000 /r3=4.000 /r4=4.500 /k2=XXX /k3=XXX \ /grpat1=9:H6 \ /grpat2=9:H1' restraint/ at1=XXX /at2=XXX \ /r1=1.300 /r2=1.800 /r3=3.000 /r4=3.500 /k2=XXX /k3=XXX \ /grpat1=9:H6 \ /grpat2=9:H5 restraint/ at1=XXX /at2=XXX \ /r1=1.500 /r2=2.000 /r3=4.000 /r4=4.500 /k2=XXX /k3=XXX \ /grpat1=9:H6 \ /grpat2=9:H2' restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=9:H6 \ /grpat2=9:H3' restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=9:H6 \ /grpat2=9:H4' restraint/ at1=XXX /at2=XXX \ /r1=1.300 /r2=1.800 /r3=3.000 /r4=3.500 /k2=XXX /k3=XXX \ /grpat1=9:H1' \ /grpat2=9:H2' restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=9:H1' \ /grpat2=9:H3' restraint/ at1=XXX /at2=XXX \ /r1=1.500 /r2=2.000 /r3=4.000 /r4=4.500 /k2=XXX /k3=XXX \ /grpat1=9:H1' \ /grpat2=9:H4' restraint/ at1=XXX /at2=XXX \ /r1=-0.300 /r2=0.200 /r3=5.800 /r4=6.300 /k2=XXX /k3=XXX \ /grpat1=9:H1' \ /grpat2=9:H5'' restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=9:H1' \ /grpat2=10:H2' restraint/ at1=XXX /at2=XXX \ /r1=1.500 /r2=2.000 /r3=4.000 /r4=4.500 /k2=XXX /k3=XXX \ /grpat1=9:H1' \ /grpat2=11:H8 restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=9:H2' \ /grpat2=10:H6 restraint/ at1=XXX /at2=XXX \ /r1=1.500 /r2=2.000 /r3=4.000 /r4=4.500 /k2=XXX /k3=XXX \ /grpat1=9:H2' \ /grpat2=11:H8 restraint/ at1=XXX /at2=XXX \ /r1=1.500 /r2=2.000 /r3=4.000 /r4=4.500 /k2=XXX /k3=XXX \ /grpat1=10:H6 \ /grpat2=10:H1' restraint/ at1=XXX /at2=XXX \ /r1=1.300 /r2=1.800 /r3=3.000 /r4=3.500 /k2=XXX /k3=XXX \ /grpat1=10:H6 \ /grpat2=10:H5 restraint/ at1=XXX /at2=XXX \ /r1=1.500 /r2=2.000 /r3=4.000 /r4=4.500 /k2=XXX /k3=XXX \ /grpat1=10:H6 \ /grpat2=10:H2' restraint/ at1=XXX /at2=XXX \ /r1=1.500 /r2=2.000 /r3=4.000 /r4=4.500 /k2=XXX /k3=XXX \ /grpat1=10:H6 \ /grpat2=10:H3' restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=10:H6 \ /grpat2=10:H4' restraint/ at1=XXX /at2=XXX \ /r1=0.700 /r2=1.200 /r3=6.800 /r4=7.300 /k2=XXX /k3=XXX \ /grpat1=10:H6 \ /grpat2=10:H5' restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=10:H6 \ /grpat2=11:H8 restraint/ at1=XXX /at2=XXX \ /r1=1.300 /r2=1.800 /r3=3.000 /r4=3.500 /k2=XXX /k3=XXX \ /grpat1=10:H1' \ /grpat2=10:H2' restraint/ at1=XXX /at2=XXX \ /r1=1.500 /r2=2.000 /r3=4.000 /r4=4.500 /k2=XXX /k3=XXX \ /grpat1=10:H1' \ /grpat2=10:H4' restraint/ at1=XXX /at2=XXX \ /r1=0.700 /r2=1.200 /r3=6.800 /r4=7.300 /k2=XXX /k3=XXX \ /grpat1=10:H1' \ /grpat2=10:H5' restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=10:H1' \ /grpat2=11:H8 restraint/ at1=XXX /at2=XXX \ /r1=1.300 /r2=1.800 /r3=3.000 /r4=3.500 /k2=XXX /k3=XXX \ /grpat1=10:H2' \ /grpat2=11:H8 restraint/ at1=XXX /at2=XXX \ /r1=1.300 /r2=1.800 /r3=3.000 /r4=3.500 /k2=XXX /k3=XXX \ /grpat1=10:H3' \ /grpat2=11:H8 restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=10:H4' \ /grpat2=11:H8 restraint/ at1=XXX /at2=XXX \ /r1=0.700 /r2=1.200 /r3=6.800 /r4=7.300 /k2=XXX /k3=XXX \ /grpat1=10:H5' \ /grpat2=11:H8 restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=11:H2 \ /grpat2=12:H1' restraint/ at1=XXX /at2=XXX \ /r1=1.500 /r2=2.000 /r3=4.000 /r4=4.500 /k2=XXX /k3=XXX \ /grpat1=11:H8 \ /grpat2=11:H1' restraint/ at1=XXX /at2=XXX \ /r1=1.500 /r2=2.000 /r3=4.000 /r4=4.500 /k2=XXX /k3=XXX \ /grpat1=11:H8 \ /grpat2=11:H2' restraint/ at1=XXX /at2=XXX \ /r1=1.300 /r2=1.800 /r3=3.000 /r4=3.500 /k2=XXX /k3=XXX \ /grpat1=11:H8 \ /grpat2=11:H3' restraint/ at1=XXX /at2=XXX \ /r1=0.700 /r2=1.200 /r3=6.800 /r4=7.300 /k2=XXX /k3=XXX \ /grpat1=11:H8 \ /grpat2=11:H5' restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=11:H8 \ /grpat2=12:H6 restraint/ at1=XXX /at2=XXX \ /r1=1.500 /r2=2.000 /r3=4.000 /r4=4.500 /k2=XXX /k3=XXX \ /grpat1=11:H1' \ /grpat2=11:H2' restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=11:H1' \ /grpat2=11:H3' restraint/ at1=XXX /at2=XXX \ /r1=1.500 /r2=2.000 /r3=4.000 /r4=4.500 /k2=XXX /k3=XXX \ /grpat1=11:H1' \ /grpat2=11:H4' restraint/ at1=XXX /at2=XXX \ /r1=1.500 /r2=2.000 /r3=4.000 /r4=4.500 /k2=XXX /k3=XXX \ /grpat1=11:H2' \ /grpat2=11:H3' restraint/ at1=XXX /at2=XXX \ /r1=1.500 /r2=2.000 /r3=4.000 /r4=4.500 /k2=XXX /k3=XXX \ /grpat1=11:H2' \ /grpat2=12:H6 restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=11:H3' \ /grpat2=11:H4' restraint/ at1=XXX /at2=XXX \ /r1=0.700 /r2=1.200 /r3=6.800 /r4=7.300 /k2=XXX /k3=XXX \ /grpat1=11:H3' \ /grpat2=11:H5' restraint/ at1=XXX /at2=XXX \ /r1=0.700 /r2=1.200 /r3=6.800 /r4=7.300 /k2=XXX /k3=XXX \ /grpat1=11:H3' \ /grpat2=11:H5'' restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=11:H3' \ /grpat2=12:H6 restraint/ at1=XXX /at2=XXX \ /r1=0.700 /r2=1.200 /r3=6.800 /r4=7.300 /k2=XXX /k3=XXX \ /grpat1=11:H3' \ /grpat2=12:H5'' restraint/ at1=XXX /at2=XXX \ /r1=1.500 /r2=2.000 /r3=4.000 /r4=4.500 /k2=XXX /k3=XXX \ /grpat1=12:H6 \ /grpat2=12:H1' restraint/ at1=XXX /at2=XXX \ /r1=1.300 /r2=1.800 /r3=3.000 /r4=3.500 /k2=XXX /k3=XXX \ /grpat1=12:H6 \ /grpat2=12:H5 restraint/ at1=XXX /at2=XXX \ /r1=1.300 /r2=1.800 /r3=3.000 /r4=3.500 /k2=XXX /k3=XXX \ /grpat1=12:H6 \ /grpat2=12:H2' restraint/ at1=XXX /at2=XXX \ /r1=1.500 /r2=2.000 /r3=4.000 /r4=4.500 /k2=XXX /k3=XXX \ /grpat1=12:H6 \ /grpat2=12:H3' restraint/ at1=XXX /at2=XXX \ /r1=0.700 /r2=1.200 /r3=6.800 /r4=7.300 /k2=XXX /k3=XXX \ /grpat1=12:H6 \ /grpat2=12:H5' restraint/ at1=XXX /at2=XXX \ /r1=0.700 /r2=1.200 /r3=6.800 /r4=7.300 /k2=XXX /k3=XXX \ /grpat1=12:H6 \ /grpat2=12:H5'' restraint/ at1=XXX /at2=XXX \ /r1=1.300 /r2=1.800 /r3=3.000 /r4=3.500 /k2=XXX /k3=XXX \ /grpat1=12:H1' \ /grpat2=12:H2' restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=12:H1' \ /grpat2=12:H3' restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=12:H1' \ /grpat2=12:H4' restraint/ at1=XXX /at2=XXX \ /r1=0.700 /r2=1.200 /r3=6.800 /r4=7.300 /k2=XXX /k3=XXX \ /grpat1=12:H1' \ /grpat2=12:H5' restraint/ at1=XXX /at2=XXX \ /r1=0.700 /r2=1.200 /r3=6.800 /r4=7.300 /k2=XXX /k3=XXX \ /grpat1=12:H1' \ /grpat2=12:H5'' restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=12:H2' \ /grpat2=13:H8 restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=12:H2' \ /grpat2=13:H1' restraint/ at1=XXX /at2=XXX \ /r1=1.300 /r2=1.800 /r3=3.000 /r4=3.500 /k2=XXX /k3=XXX \ /grpat1=12:H3' \ /grpat2=13:H8 restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=12:H4' \ /grpat2=13:H8 restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=13:H2 \ /grpat2=13:H2' restraint/ at1=XXX /at2=XXX \ /r1=1.300 /r2=1.800 /r3=3.000 /r4=3.500 /k2=XXX /k3=XXX \ /grpat1=13:H2 \ /grpat2=14:H1' restraint/ at1=XXX /at2=XXX \ /r1=1.500 /r2=2.000 /r3=4.000 /r4=4.500 /k2=XXX /k3=XXX \ /grpat1=13:H8 \ /grpat2=13:H1' restraint/ at1=XXX /at2=XXX \ /r1=1.500 /r2=2.000 /r3=4.000 /r4=4.500 /k2=XXX /k3=XXX \ /grpat1=13:H8 \ /grpat2=13:H2' restraint/ at1=XXX /at2=XXX \ /r1=1.300 /r2=1.800 /r3=3.000 /r4=3.500 /k2=XXX /k3=XXX \ /grpat1=13:H8 \ /grpat2=13:H3' restraint/ at1=XXX /at2=XXX \ /r1=1.500 /r2=2.000 /r3=4.000 /r4=4.500 /k2=XXX /k3=XXX \ /grpat1=13:H8 \ /grpat2=13:H4' restraint/ at1=XXX /at2=XXX \ /r1=-0.500 /r2=0.000 /r3=4.800 /r4=5.300 /k2=XXX /k3=XXX \ /grpat1=13:H8 \ /grpat2=13:H5' restraint/ at1=XXX /at2=XXX \ /r1=1.300 /r2=1.800 /r3=3.000 /r4=3.500 /k2=XXX /k3=XXX \ /grpat1=13:H1' \ /grpat2=13:H2' restraint/ at1=XXX /at2=XXX \ /r1=1.500 /r2=2.000 /r3=4.000 /r4=4.500 /k2=XXX /k3=XXX \ /grpat1=13:H1' \ /grpat2=13:H3' restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=13:H1' \ /grpat2=13:H4' restraint/ at1=XXX /at2=XXX \ /r1=0.700 /r2=1.200 /r3=6.800 /r4=7.300 /k2=XXX /k3=XXX \ /grpat1=13:H1' \ /grpat2=13:H5' restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=13:H1' \ /grpat2=14:H8 restraint/ at1=XXX /at2=XXX \ /r1=1.500 /r2=2.000 /r3=4.000 /r4=4.500 /k2=XXX /k3=XXX \ /grpat1=13:H1' \ /grpat2=14:H1' restraint/ at1=XXX /at2=XXX \ /r1=0.700 /r2=1.200 /r3=6.800 /r4=7.300 /k2=XXX /k3=XXX \ /grpat1=13:H1' \ /grpat2=14:H5' restraint/ at1=XXX /at2=XXX \ /r1=1.500 /r2=2.000 /r3=4.000 /r4=4.500 /k2=XXX /k3=XXX \ /grpat1=13:H2' \ /grpat2=13:H3' restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=13:H2' \ /grpat2=13:H4' restraint/ at1=XXX /at2=XXX \ /r1=0.700 /r2=1.200 /r3=6.800 /r4=7.300 /k2=XXX /k3=XXX \ /grpat1=13:H2' \ /grpat2=13:H5' restraint/ at1=XXX /at2=XXX \ /r1=1.300 /r2=1.800 /r3=3.000 /r4=3.500 /k2=XXX /k3=XXX \ /grpat1=13:H2' \ /grpat2=14:H8 restraint/ at1=XXX /at2=XXX \ /r1=1.300 /r2=1.800 /r3=3.000 /r4=3.500 /k2=XXX /k3=XXX \ /grpat1=13:H2' \ /grpat2=14:H1' restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=13:H2' \ /grpat2=14:H4' restraint/ at1=XXX /at2=XXX \ /r1=0.700 /r2=1.200 /r3=6.800 /r4=7.300 /k2=XXX /k3=XXX \ /grpat1=13:H2' \ /grpat2=14:H5' restraint/ at1=XXX /at2=XXX \ /r1=1.300 /r2=1.800 /r3=3.000 /r4=3.500 /k2=XXX /k3=XXX \ /grpat1=13:H3' \ /grpat2=14:H8 restraint/ at1=XXX /at2=XXX \ /r1=1.300 /r2=1.800 /r3=3.000 /r4=3.500 /k2=XXX /k3=XXX \ /grpat1=14:H2 \ /grpat2=15:H1' restraint/ at1=XXX /at2=XXX \ /r1=1.500 /r2=2.000 /r3=4.000 /r4=4.500 /k2=XXX /k3=XXX \ /grpat1=14:H8 \ /grpat2=14:H1' restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=14:H8 \ /grpat2=14:H3' restraint/ at1=XXX /at2=XXX \ /r1=-0.300 /r2=0.200 /r3=5.800 /r4=6.300 /k2=XXX /k3=XXX \ /grpat1=14:H8 \ /grpat2=14:H5' restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=14:H8 \ /grpat2=15:H6 restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=14:H8 \ /grpat2=15:H5 restraint/ at1=XXX /at2=XXX \ /r1=1.300 /r2=1.800 /r3=3.000 /r4=3.500 /k2=XXX /k3=XXX \ /grpat1=14:H1' \ /grpat2=14:H2' restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=14:H1' \ /grpat2=14:H3' restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=14:H1' \ /grpat2=14:H4' restraint/ at1=XXX /at2=XXX \ /r1=0.700 /r2=1.200 /r3=6.800 /r4=7.300 /k2=XXX /k3=XXX \ /grpat1=14:H1' \ /grpat2=14:H5' restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=14:H1' \ /grpat2=15:H6 restraint/ at1=XXX /at2=XXX \ /r1=0.700 /r2=1.200 /r3=6.800 /r4=7.300 /k2=XXX /k3=XXX \ /grpat1=14:H1' \ /grpat2=15:H5'' restraint/ at1=XXX /at2=XXX \ /r1=1.300 /r2=1.800 /r3=3.000 /r4=3.500 /k2=XXX /k3=XXX \ /grpat1=14:H3' \ /grpat2=15:H6 restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=14:H3' \ /grpat2=15:H1' restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=14:H3' \ /grpat2=15:H5 restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=14:H4' \ /grpat2=15:H6 restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=11:H1' \ /grpat2=12:H6 restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=12:H1' \ /grpat2=13:H8 restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=8:H6 \ /grpat2=9:H5 restraint/ at1=XXX /at2=XXX \ /r1=2.500 /r2=3.000 /r3=5.000 /r4=5.500 /k2=XXX /k3=XXX \ /grpat1=12:H6 \ /grpat2=13:H8 ; save_ save_MR_file_comment_26 _Org_constr_file_comment.Sf_framecode MR_file_comment_26 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID rr_1szy _Org_constr_file_comment.ID 8 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 26 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment ; # 0.2 NOE quality 1 1 31 b 2 7 74 b 3 11 g 4 5 215 b 5 10 g 6 2 39 b 7 12 336 b 8 10 g 9 5 105 b 10 5 93 b 11 10 g 12 1 31 b 13 8 122 b 14 10 g 15 3 43 b 16 5 102 b 17 12 g 18 10 g 19 1 16 b 20 10 g 21 2 34 b 22 11 g 23 11 g 24 11 g 25 1 21 b 26 3 43 b 27 10 g 28 1 23 b 29 108 5140 b 30 5 74 b ; save_