################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36159 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' 1 $sample_1 anisotropic 36159 1 2 '2D 1H-1H TOCSY' 1 $sample_1 anisotropic 36159 1 3 '2D 1H-1H COSY' 1 $sample_1 anisotropic 36159 1 4 '2D 1H-1H NOESY' 1 $sample_1 anisotropic 36159 1 5 '2D 1H-1H TOCSY' 1 $sample_1 anisotropic 36159 1 6 '2D 1H-1H COSY' 1 $sample_1 anisotropic 36159 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 DA H1' H 1 5.810 0.005 . . . . . . A 1 DA H1' . 36159 1 2 . 1 1 1 1 DA H2 H 1 7.767 0.004 . . . . . . A 1 DA H2 . 36159 1 3 . 1 1 1 1 DA H2' H 1 2.033 0.007 . . . . . . A 1 DA H2' . 36159 1 4 . 1 1 1 1 DA H2'' H 1 2.236 0.002 . . . . . . A 1 DA H2'' . 36159 1 5 . 1 1 1 1 DA H3' H 1 4.592 0.002 . . . . . . A 1 DA H3' . 36159 1 6 . 1 1 1 1 DA H4' H 1 4.000 0.003 . . . . . . A 1 DA H4' . 36159 1 7 . 1 1 1 1 DA H5' H 1 3.906 0.003 . . . . . . A 1 DA H5' . 36159 1 8 . 1 1 1 1 DA H5'' H 1 3.512 0.003 . . . . . . A 1 DA H5'' . 36159 1 9 . 1 1 1 1 DA H8 H 1 7.696 0.005 . . . . . . A 1 DA H8 . 36159 1 10 . 1 1 2 2 DA H1' H 1 5.627 0.005 . . . . . . A 2 DA H1' . 36159 1 11 . 1 1 2 2 DA H2 H 1 7.597 0.006 . . . . . . A 2 DA H2 . 36159 1 12 . 1 1 2 2 DA H2' H 1 2.238 0.004 . . . . . . A 2 DA H2' . 36159 1 13 . 1 1 2 2 DA H2'' H 1 2.238 0.004 . . . . . . A 2 DA H2'' . 36159 1 14 . 1 1 2 2 DA H3' H 1 4.746 0.003 . . . . . . A 2 DA H3' . 36159 1 15 . 1 1 2 2 DA H4' H 1 4.170 0.005 . . . . . . A 2 DA H4' . 36159 1 16 . 1 1 2 2 DA H5' H 1 3.841 0.003 . . . . . . A 2 DA H5' . 36159 1 17 . 1 1 2 2 DA H5'' H 1 4.119 0.003 . . . . . . A 2 DA H5'' . 36159 1 18 . 1 1 2 2 DA H8 H 1 7.788 0.004 . . . . . . A 2 DA H8 . 36159 1 19 . 1 1 3 3 DA H1' H 1 5.725 0.005 . . . . . . A 3 DA H1' . 36159 1 20 . 1 1 3 3 DA H2 H 1 7.496 0.004 . . . . . . A 3 DA H2 . 36159 1 21 . 1 1 3 3 DA H2' H 1 2.288 0.005 . . . . . . A 3 DA H2' . 36159 1 22 . 1 1 3 3 DA H2'' H 1 2.144 0.004 . . . . . . A 3 DA H2'' . 36159 1 23 . 1 1 3 3 DA H3' H 1 4.939 0.009 . . . . . . A 3 DA H3' . 36159 1 24 . 1 1 3 3 DA H4' H 1 4.290 0.005 . . . . . . A 3 DA H4' . 36159 1 25 . 1 1 3 3 DA H5' H 1 4.123 0.004 . . . . . . A 3 DA H5' . 36159 1 26 . 1 1 3 3 DA H5'' H 1 4.123 0.004 . . . . . . A 3 DA H5'' . 36159 1 27 . 1 1 3 3 DA H8 H 1 7.560 0.005 . . . . . . A 3 DA H8 . 36159 1 28 . 1 1 4 4 DG H1 H 1 11.355 0.005 . . . . . . A 4 DG H1 . 36159 1 29 . 1 1 4 4 DG H1' H 1 4.912 0.006 . . . . . . A 4 DG H1' . 36159 1 30 . 1 1 4 4 DG H2' H 1 3.145 0.003 . . . . . . A 4 DG H2' . 36159 1 31 . 1 1 4 4 DG H2'' H 1 2.536 0.000 . . . . . . A 4 DG H2'' . 36159 1 32 . 1 1 4 4 DG H3' H 1 4.602 0.003 . . . . . . A 4 DG H3' . 36159 1 33 . 1 1 4 4 DG H4' H 1 3.988 0.001 . . . . . . A 4 DG H4' . 36159 1 34 . 1 1 4 4 DG H5' H 1 3.681 0.004 . . . . . . A 4 DG H5' . 36159 1 35 . 1 1 4 4 DG H5'' H 1 3.440 0.004 . . . . . . A 4 DG H5'' . 36159 1 36 . 1 1 4 4 DG H8 H 1 6.887 0.002 . . . . . . A 4 DG H8 . 36159 1 37 . 1 1 4 4 DG H21 H 1 7.190 0.002 . . . . . . A 4 DG H21 . 36159 1 38 . 1 1 5 5 DG H1 H 1 11.533 0.001 . . . . . . A 5 DG H1 . 36159 1 39 . 1 1 5 5 DG H1' H 1 5.501 0.003 . . . . . . A 5 DG H1' . 36159 1 40 . 1 1 5 5 DG H2' H 1 2.438 0.003 . . . . . . A 5 DG H2' . 36159 1 41 . 1 1 5 5 DG H2'' H 1 2.519 0.002 . . . . . . A 5 DG H2'' . 36159 1 42 . 1 1 5 5 DG H3' H 1 4.832 0.002 . . . . . . A 5 DG H3' . 36159 1 43 . 1 1 5 5 DG H4' H 1 4.069 0.005 . . . . . . A 5 DG H4' . 36159 1 44 . 1 1 5 5 DG H5' H 1 3.496 0.001 . . . . . . A 5 DG H5' . 36159 1 45 . 1 1 5 5 DG H5'' H 1 3.982 0.006 . . . . . . A 5 DG H5'' . 36159 1 46 . 1 1 5 5 DG H8 H 1 7.679 0.005 . . . . . . A 5 DG H8 . 36159 1 47 . 1 1 5 5 DG H21 H 1 6.542 0.000 . . . . . . A 5 DG H21 . 36159 1 48 . 1 1 5 5 DG H22 H 1 9.740 0.000 . . . . . . A 5 DG H22 . 36159 1 49 . 1 1 6 6 DG H1 H 1 10.915 0.005 . . . . . . A 6 DG H1 . 36159 1 50 . 1 1 6 6 DG H1' H 1 6.229 0.009 . . . . . . A 6 DG H1' . 36159 1 51 . 1 1 6 6 DG H2' H 1 2.412 0.003 . . . . . . A 6 DG H2' . 36159 1 52 . 1 1 6 6 DG H2'' H 1 2.471 0.003 . . . . . . A 6 DG H2'' . 36159 1 53 . 1 1 6 6 DG H3' H 1 5.011 0.002 . . . . . . A 6 DG H3' . 36159 1 54 . 1 1 6 6 DG H4' H 1 4.075 0.000 . . . . . . A 6 DG H4' . 36159 1 55 . 1 1 6 6 DG H5' H 1 4.007 0.000 . . . . . . A 6 DG H5' . 36159 1 56 . 1 1 6 6 DG H5'' H 1 4.007 0.000 . . . . . . A 6 DG H5'' . 36159 1 57 . 1 1 6 6 DG H8 H 1 7.611 0.004 . . . . . . A 6 DG H8 . 36159 1 58 . 1 1 6 6 DG H21 H 1 7.510 0.004 . . . . . . A 6 DG H21 . 36159 1 59 . 1 1 7 7 DT H1' H 1 6.376 0.004 . . . . . . A 7 DT H1' . 36159 1 60 . 1 1 7 7 DT H2' H 1 2.256 0.000 . . . . . . A 7 DT H2' . 36159 1 61 . 1 1 7 7 DT H2'' H 1 2.537 0.005 . . . . . . A 7 DT H2'' . 36159 1 62 . 1 1 7 7 DT H3' H 1 4.754 0.004 . . . . . . A 7 DT H3' . 36159 1 63 . 1 1 7 7 DT H4' H 1 4.460 0.000 . . . . . . A 7 DT H4' . 36159 1 64 . 1 1 7 7 DT H5' H 1 4.223 0.002 . . . . . . A 7 DT H5' . 36159 1 65 . 1 1 7 7 DT H5'' H 1 4.047 0.000 . . . . . . A 7 DT H5'' . 36159 1 66 . 1 1 7 7 DT H6 H 1 7.791 0.004 . . . . . . A 7 DT H6 . 36159 1 67 . 1 1 7 7 DT H71 H 1 1.927 0.004 . . . . . . A 7 DT H71 . 36159 1 68 . 1 1 7 7 DT H72 H 1 1.927 0.004 . . . . . . A 7 DT H72 . 36159 1 69 . 1 1 7 7 DT H73 H 1 1.927 0.004 . . . . . . A 7 DT H73 . 36159 1 70 . 1 1 8 8 DT H1' H 1 6.597 0.002 . . . . . . A 8 DT H1' . 36159 1 71 . 1 1 8 8 DT H2' H 1 2.555 0.002 . . . . . . A 8 DT H2' . 36159 1 72 . 1 1 8 8 DT H2'' H 1 2.555 0.002 . . . . . . A 8 DT H2'' . 36159 1 73 . 1 1 8 8 DT H3' H 1 5.043 0.003 . . . . . . A 8 DT H3' . 36159 1 74 . 1 1 8 8 DT H4' H 1 4.611 0.001 . . . . . . A 8 DT H4' . 36159 1 75 . 1 1 8 8 DT H5' H 1 4.225 0.002 . . . . . . A 8 DT H5' . 36159 1 76 . 1 1 8 8 DT H5'' H 1 4.058 0.005 . . . . . . A 8 DT H5'' . 36159 1 77 . 1 1 8 8 DT H6 H 1 7.912 0.003 . . . . . . A 8 DT H6 . 36159 1 78 . 1 1 8 8 DT H71 H 1 2.062 0.002 . . . . . . A 8 DT H71 . 36159 1 79 . 1 1 8 8 DT H72 H 1 2.062 0.002 . . . . . . A 8 DT H72 . 36159 1 80 . 1 1 8 8 DT H73 H 1 2.062 0.002 . . . . . . A 8 DT H73 . 36159 1 81 . 1 1 9 9 DA H1' H 1 6.271 0.005 . . . . . . A 9 DA H1' . 36159 1 82 . 1 1 9 9 DA H2 H 1 7.955 0.005 . . . . . . A 9 DA H2 . 36159 1 83 . 1 1 9 9 DA H2' H 1 2.172 0.000 . . . . . . A 9 DA H2' . 36159 1 84 . 1 1 9 9 DA H2'' H 1 2.241 0.005 . . . . . . A 9 DA H2'' . 36159 1 85 . 1 1 9 9 DA H3' H 1 4.797 0.003 . . . . . . A 9 DA H3' . 36159 1 86 . 1 1 9 9 DA H4' H 1 4.485 0.000 . . . . . . A 9 DA H4' . 36159 1 87 . 1 1 9 9 DA H5' H 1 4.112 0.001 . . . . . . A 9 DA H5' . 36159 1 88 . 1 1 9 9 DA H5'' H 1 4.112 0.001 . . . . . . A 9 DA H5'' . 36159 1 89 . 1 1 9 9 DA H8 H 1 8.151 0.005 . . . . . . A 9 DA H8 . 36159 1 90 . 1 1 10 10 DG H1 H 1 11.894 0.004 . . . . . . A 10 DG H1 . 36159 1 91 . 1 1 10 10 DG H1' H 1 5.761 0.006 . . . . . . A 10 DG H1' . 36159 1 92 . 1 1 10 10 DG H2' H 1 2.777 0.005 . . . . . . A 10 DG H2' . 36159 1 93 . 1 1 10 10 DG H2'' H 1 3.290 0.003 . . . . . . A 10 DG H2'' . 36159 1 94 . 1 1 10 10 DG H3' H 1 4.741 0.015 . . . . . . A 10 DG H3' . 36159 1 95 . 1 1 10 10 DG H4' H 1 4.282 0.000 . . . . . . A 10 DG H4' . 36159 1 96 . 1 1 10 10 DG H5' H 1 3.962 0.006 . . . . . . A 10 DG H5' . 36159 1 97 . 1 1 10 10 DG H5'' H 1 4.184 0.001 . . . . . . A 10 DG H5'' . 36159 1 98 . 1 1 10 10 DG H8 H 1 7.496 0.003 . . . . . . A 10 DG H8 . 36159 1 99 . 1 1 10 10 DG H21 H 1 6.549 0.003 . . . . . . A 10 DG H21 . 36159 1 100 . 1 1 11 11 DG H1 H 1 12.011 0.002 . . . . . . A 11 DG H1 . 36159 1 101 . 1 1 11 11 DG H1' H 1 5.582 0.003 . . . . . . A 11 DG H1' . 36159 1 102 . 1 1 11 11 DG H2' H 1 2.436 0.004 . . . . . . A 11 DG H2' . 36159 1 103 . 1 1 11 11 DG H2'' H 1 2.537 0.001 . . . . . . A 11 DG H2'' . 36159 1 104 . 1 1 11 11 DG H3' H 1 4.922 0.000 . . . . . . A 11 DG H3' . 36159 1 105 . 1 1 11 11 DG H4' H 1 4.292 0.003 . . . . . . A 11 DG H4' . 36159 1 106 . 1 1 11 11 DG H5' H 1 4.184 0.006 . . . . . . A 11 DG H5' . 36159 1 107 . 1 1 11 11 DG H5'' H 1 4.184 0.006 . . . . . . A 11 DG H5'' . 36159 1 108 . 1 1 11 11 DG H8 H 1 7.789 0.004 . . . . . . A 11 DG H8 . 36159 1 109 . 1 1 11 11 DG H21 H 1 5.974 0.000 . . . . . . A 11 DG H21 . 36159 1 110 . 1 1 11 11 DG H22 H 1 9.961 0.000 . . . . . . A 11 DG H22 . 36159 1 111 . 1 1 12 12 DG H1 H 1 11.269 0.002 . . . . . . A 12 DG H1 . 36159 1 112 . 1 1 12 12 DG H1' H 1 6.212 0.005 . . . . . . A 12 DG H1' . 36159 1 113 . 1 1 12 12 DG H2' H 1 2.572 0.003 . . . . . . A 12 DG H2' . 36159 1 114 . 1 1 12 12 DG H2'' H 1 2.515 0.003 . . . . . . A 12 DG H2'' . 36159 1 115 . 1 1 12 12 DG H3' H 1 4.973 0.004 . . . . . . A 12 DG H3' . 36159 1 116 . 1 1 12 12 DG H4' H 1 4.463 0.002 . . . . . . A 12 DG H4' . 36159 1 117 . 1 1 12 12 DG H5' H 1 4.149 0.009 . . . . . . A 12 DG H5' . 36159 1 118 . 1 1 12 12 DG H5'' H 1 4.200 0.005 . . . . . . A 12 DG H5'' . 36159 1 119 . 1 1 12 12 DG H8 H 1 7.809 0.005 . . . . . . A 12 DG H8 . 36159 1 120 . 1 1 12 12 DG H21 H 1 7.849 0.005 . . . . . . A 12 DG H21 . 36159 1 121 . 1 1 13 13 DT H1' H 1 6.159 0.005 . . . . . . A 13 DT H1' . 36159 1 122 . 1 1 13 13 DT H2' H 1 2.295 0.007 . . . . . . A 13 DT H2' . 36159 1 123 . 1 1 13 13 DT H2'' H 1 2.409 0.006 . . . . . . A 13 DT H2'' . 36159 1 124 . 1 1 13 13 DT H3' H 1 4.655 0.003 . . . . . . A 13 DT H3' . 36159 1 125 . 1 1 13 13 DT H4' H 1 4.140 0.001 . . . . . . A 13 DT H4' . 36159 1 126 . 1 1 13 13 DT H5' H 1 4.004 0.000 . . . . . . A 13 DT H5' . 36159 1 127 . 1 1 13 13 DT H5'' H 1 4.095 0.000 . . . . . . A 13 DT H5'' . 36159 1 128 . 1 1 13 13 DT H6 H 1 7.488 0.003 . . . . . . A 13 DT H6 . 36159 1 129 . 1 1 13 13 DT H71 H 1 1.795 0.000 . . . . . . A 13 DT H71 . 36159 1 130 . 1 1 13 13 DT H72 H 1 1.795 0.000 . . . . . . A 13 DT H72 . 36159 1 131 . 1 1 13 13 DT H73 H 1 1.795 0.000 . . . . . . A 13 DT H73 . 36159 1 132 . 1 1 14 14 DT H1' H 1 5.267 0.000 . . . . . . A 14 DT H1' . 36159 1 133 . 1 1 14 14 DT H2' H 1 1.259 0.006 . . . . . . A 14 DT H2' . 36159 1 134 . 1 1 14 14 DT H2'' H 1 2.060 0.002 . . . . . . A 14 DT H2'' . 36159 1 135 . 1 1 14 14 DT H3' H 1 4.420 0.001 . . . . . . A 14 DT H3' . 36159 1 136 . 1 1 14 14 DT H4' H 1 3.902 0.001 . . . . . . A 14 DT H4' . 36159 1 137 . 1 1 14 14 DT H5' H 1 3.512 0.000 . . . . . . A 14 DT H5' . 36159 1 138 . 1 1 14 14 DT H5'' H 1 3.725 0.000 . . . . . . A 14 DT H5'' . 36159 1 139 . 1 1 14 14 DT H6 H 1 6.589 0.004 . . . . . . A 14 DT H6 . 36159 1 140 . 1 1 14 14 DT H71 H 1 1.233 0.002 . . . . . . A 14 DT H71 . 36159 1 141 . 1 1 14 14 DT H72 H 1 1.233 0.002 . . . . . . A 14 DT H72 . 36159 1 142 . 1 1 14 14 DT H73 H 1 1.233 0.002 . . . . . . A 14 DT H73 . 36159 1 143 . 1 1 15 15 DA H1' H 1 6.070 0.005 . . . . . . A 15 DA H1' . 36159 1 144 . 1 1 15 15 DA H2' H 1 2.167 0.001 . . . . . . A 15 DA H2' . 36159 1 145 . 1 1 15 15 DA H2'' H 1 2.456 0.000 . . . . . . A 15 DA H2'' . 36159 1 146 . 1 1 15 15 DA H3' H 1 4.590 0.004 . . . . . . A 15 DA H3' . 36159 1 147 . 1 1 15 15 DA H4' H 1 3.929 0.006 . . . . . . A 15 DA H4' . 36159 1 148 . 1 1 15 15 DA H5' H 1 2.793 0.001 . . . . . . A 15 DA H5' . 36159 1 149 . 1 1 15 15 DA H5'' H 1 3.273 0.001 . . . . . . A 15 DA H5'' . 36159 1 150 . 1 1 15 15 DA H8 H 1 7.668 0.002 . . . . . . A 15 DA H8 . 36159 1 151 . 1 1 16 16 DG H1 H 1 11.133 0.004 . . . . . . A 16 DG H1 . 36159 1 152 . 1 1 16 16 DG H1' H 1 5.971 0.000 . . . . . . A 16 DG H1' . 36159 1 153 . 1 1 16 16 DG H2' H 1 3.403 0.000 . . . . . . A 16 DG H2' . 36159 1 154 . 1 1 16 16 DG H2'' H 1 2.886 0.000 . . . . . . A 16 DG H2'' . 36159 1 155 . 1 1 16 16 DG H3' H 1 4.766 0.002 . . . . . . A 16 DG H3' . 36159 1 156 . 1 1 16 16 DG H4' H 1 4.367 0.000 . . . . . . A 16 DG H4' . 36159 1 157 . 1 1 16 16 DG H5' H 1 4.190 0.000 . . . . . . A 16 DG H5' . 36159 1 158 . 1 1 16 16 DG H5'' H 1 4.265 0.000 . . . . . . A 16 DG H5'' . 36159 1 159 . 1 1 16 16 DG H8 H 1 7.203 0.001 . . . . . . A 16 DG H8 . 36159 1 160 . 1 1 16 16 DG H21 H 1 7.163 0.001 . . . . . . A 16 DG H21 . 36159 1 161 . 1 1 17 17 DG H1 H 1 10.995 0.003 . . . . . . A 17 DG H1 . 36159 1 162 . 1 1 17 17 DG H1' H 1 5.687 0.006 . . . . . . A 17 DG H1' . 36159 1 163 . 1 1 17 17 DG H2' H 1 2.356 0.004 . . . . . . A 17 DG H2' . 36159 1 164 . 1 1 17 17 DG H2'' H 1 2.356 0.004 . . . . . . A 17 DG H2'' . 36159 1 165 . 1 1 17 17 DG H3' H 1 4.914 0.006 . . . . . . A 17 DG H3' . 36159 1 166 . 1 1 17 17 DG H4' H 1 4.130 0.000 . . . . . . A 17 DG H4' . 36159 1 167 . 1 1 17 17 DG H5' H 1 4.095 0.000 . . . . . . A 17 DG H5' . 36159 1 168 . 1 1 17 17 DG H5'' H 1 4.184 0.000 . . . . . . A 17 DG H5'' . 36159 1 169 . 1 1 17 17 DG H8 H 1 7.282 0.003 . . . . . . A 17 DG H8 . 36159 1 170 . 1 1 17 17 DG H21 H 1 6.464 0.000 . . . . . . A 17 DG H21 . 36159 1 171 . 1 1 17 17 DG H22 H 1 8.641 0.000 . . . . . . A 17 DG H22 . 36159 1 172 . 1 1 18 18 DG H1 H 1 11.506 0.004 . . . . . . A 18 DG H1 . 36159 1 173 . 1 1 18 18 DG H1' H 1 6.014 0.002 . . . . . . A 18 DG H1' . 36159 1 174 . 1 1 18 18 DG H2' H 1 2.654 0.003 . . . . . . A 18 DG H2' . 36159 1 175 . 1 1 18 18 DG H2'' H 1 2.654 0.003 . . . . . . A 18 DG H2'' . 36159 1 176 . 1 1 18 18 DG H3' H 1 5.108 0.001 . . . . . . A 18 DG H3' . 36159 1 177 . 1 1 18 18 DG H4' H 1 4.396 0.004 . . . . . . A 18 DG H4' . 36159 1 178 . 1 1 18 18 DG H5' H 1 4.268 0.000 . . . . . . A 18 DG H5' . 36159 1 179 . 1 1 18 18 DG H5'' H 1 4.170 0.000 . . . . . . A 18 DG H5'' . 36159 1 180 . 1 1 18 18 DG H8 H 1 7.695 0.003 . . . . . . A 18 DG H8 . 36159 1 181 . 1 1 19 19 DT H1' H 1 6.320 0.004 . . . . . . A 19 DT H1' . 36159 1 182 . 1 1 19 19 DT H2' H 1 2.358 0.006 . . . . . . A 19 DT H2' . 36159 1 183 . 1 1 19 19 DT H2'' H 1 2.488 0.006 . . . . . . A 19 DT H2'' . 36159 1 184 . 1 1 19 19 DT H3' H 1 4.905 0.004 . . . . . . A 19 DT H3' . 36159 1 185 . 1 1 19 19 DT H4' H 1 4.378 0.003 . . . . . . A 19 DT H4' . 36159 1 186 . 1 1 19 19 DT H5' H 1 4.159 0.002 . . . . . . A 19 DT H5' . 36159 1 187 . 1 1 19 19 DT H5'' H 1 4.255 0.006 . . . . . . A 19 DT H5'' . 36159 1 188 . 1 1 19 19 DT H6 H 1 7.793 0.004 . . . . . . A 19 DT H6 . 36159 1 189 . 1 1 19 19 DT H71 H 1 1.904 0.005 . . . . . . A 19 DT H71 . 36159 1 190 . 1 1 19 19 DT H72 H 1 1.904 0.005 . . . . . . A 19 DT H72 . 36159 1 191 . 1 1 19 19 DT H73 H 1 1.904 0.005 . . . . . . A 19 DT H73 . 36159 1 192 . 1 1 20 20 DT H1' H 1 5.820 0.005 . . . . . . A 20 DT H1' . 36159 1 193 . 1 1 20 20 DT H2' H 1 0.750 0.002 . . . . . . A 20 DT H2' . 36159 1 194 . 1 1 20 20 DT H2'' H 1 1.580 0.005 . . . . . . A 20 DT H2'' . 36159 1 195 . 1 1 20 20 DT H3' H 1 4.574 0.001 . . . . . . A 20 DT H3' . 36159 1 196 . 1 1 20 20 DT H4' H 1 4.073 0.007 . . . . . . A 20 DT H4' . 36159 1 197 . 1 1 20 20 DT H5' H 1 3.870 0.001 . . . . . . A 20 DT H5' . 36159 1 198 . 1 1 20 20 DT H5'' H 1 3.870 0.001 . . . . . . A 20 DT H5'' . 36159 1 199 . 1 1 20 20 DT H6 H 1 6.780 0.003 . . . . . . A 20 DT H6 . 36159 1 200 . 1 1 20 20 DT H71 H 1 1.012 0.005 . . . . . . A 20 DT H71 . 36159 1 201 . 1 1 20 20 DT H72 H 1 1.012 0.005 . . . . . . A 20 DT H72 . 36159 1 202 . 1 1 20 20 DT H73 H 1 1.012 0.005 . . . . . . A 20 DT H73 . 36159 1 203 . 1 1 21 21 DA H1' H 1 6.027 0.006 . . . . . . A 21 DA H1' . 36159 1 204 . 1 1 21 21 DA H2 H 1 7.455 0.004 . . . . . . A 21 DA H2 . 36159 1 205 . 1 1 21 21 DA H2' H 1 2.664 0.004 . . . . . . A 21 DA H2' . 36159 1 206 . 1 1 21 21 DA H2'' H 1 2.871 0.008 . . . . . . A 21 DA H2'' . 36159 1 207 . 1 1 21 21 DA H3' H 1 4.971 0.006 . . . . . . A 21 DA H3' . 36159 1 208 . 1 1 21 21 DA H4' H 1 4.335 0.007 . . . . . . A 21 DA H4' . 36159 1 209 . 1 1 21 21 DA H5' H 1 3.731 0.003 . . . . . . A 21 DA H5' . 36159 1 210 . 1 1 21 21 DA H5'' H 1 3.978 0.005 . . . . . . A 21 DA H5'' . 36159 1 211 . 1 1 21 21 DA H8 H 1 7.978 0.002 . . . . . . A 21 DA H8 . 36159 1 212 . 1 1 22 22 DG H1 H 1 10.998 0.005 . . . . . . A 22 DG H1 . 36159 1 213 . 1 1 22 22 DG H1' H 1 5.861 0.006 . . . . . . A 22 DG H1' . 36159 1 214 . 1 1 22 22 DG H2' H 1 2.809 0.006 . . . . . . A 22 DG H2' . 36159 1 215 . 1 1 22 22 DG H2'' H 1 3.410 0.003 . . . . . . A 22 DG H2'' . 36159 1 216 . 1 1 22 22 DG H3' H 1 4.916 0.003 . . . . . . A 22 DG H3' . 36159 1 217 . 1 1 22 22 DG H4' H 1 4.575 0.000 . . . . . . A 22 DG H4' . 36159 1 218 . 1 1 22 22 DG H5' H 1 4.094 0.005 . . . . . . A 22 DG H5' . 36159 1 219 . 1 1 22 22 DG H5'' H 1 4.146 0.001 . . . . . . A 22 DG H5'' . 36159 1 220 . 1 1 22 22 DG H8 H 1 6.821 0.003 . . . . . . A 22 DG H8 . 36159 1 221 . 1 1 22 22 DG H21 H 1 7.059 0.003 . . . . . . A 22 DG H21 . 36159 1 222 . 1 1 23 23 DG H1 H 1 11.334 0.004 . . . . . . A 23 DG H1 . 36159 1 223 . 1 1 23 23 DG H1' H 1 5.662 0.002 . . . . . . A 23 DG H1' . 36159 1 224 . 1 1 23 23 DG H2' H 1 2.493 0.006 . . . . . . A 23 DG H2' . 36159 1 225 . 1 1 23 23 DG H2'' H 1 2.566 0.005 . . . . . . A 23 DG H2'' . 36159 1 226 . 1 1 23 23 DG H3' H 1 4.938 0.003 . . . . . . A 23 DG H3' . 36159 1 227 . 1 1 23 23 DG H4' H 1 4.328 0.001 . . . . . . A 23 DG H4' . 36159 1 228 . 1 1 23 23 DG H5' H 1 4.126 0.000 . . . . . . A 23 DG H5' . 36159 1 229 . 1 1 23 23 DG H5'' H 1 4.126 0.000 . . . . . . A 23 DG H5'' . 36159 1 230 . 1 1 23 23 DG H8 H 1 7.835 0.004 . . . . . . A 23 DG H8 . 36159 1 231 . 1 1 23 23 DG H21 H 1 5.819 0.000 . . . . . . A 23 DG H21 . 36159 1 232 . 1 1 23 23 DG H22 H 1 9.449 0.000 . . . . . . A 23 DG H22 . 36159 1 233 . 1 1 24 24 DG H1 H 1 10.588 0.004 . . . . . . A 24 DG H1 . 36159 1 234 . 1 1 24 24 DG H1' H 1 5.758 0.003 . . . . . . A 24 DG H1' . 36159 1 235 . 1 1 24 24 DG H2' H 1 1.981 0.003 . . . . . . A 24 DG H2' . 36159 1 236 . 1 1 24 24 DG H2'' H 1 2.359 0.005 . . . . . . A 24 DG H2'' . 36159 1 237 . 1 1 24 24 DG H3' H 1 4.802 0.002 . . . . . . A 24 DG H3' . 36159 1 238 . 1 1 24 24 DG H4' H 1 4.276 0.000 . . . . . . A 24 DG H4' . 36159 1 239 . 1 1 24 24 DG H5' H 1 4.123 0.000 . . . . . . A 24 DG H5' . 36159 1 240 . 1 1 24 24 DG H5'' H 1 4.123 0.000 . . . . . . A 24 DG H5'' . 36159 1 241 . 1 1 24 24 DG H8 H 1 7.231 0.001 . . . . . . A 24 DG H8 . 36159 1 242 . 1 1 24 24 DG H21 H 1 7.091 0.001 . . . . . . A 24 DG H21 . 36159 1 243 . 1 1 25 25 DA H1' H 1 5.900 0.006 . . . . . . A 25 DA H1' . 36159 1 244 . 1 1 25 25 DA H2 H 1 7.437 0.005 . . . . . . A 25 DA H2 . 36159 1 245 . 1 1 25 25 DA H2' H 1 2.420 0.007 . . . . . . A 25 DA H2' . 36159 1 246 . 1 1 25 25 DA H2'' H 1 2.420 0.007 . . . . . . A 25 DA H2'' . 36159 1 247 . 1 1 25 25 DA H3' H 1 4.835 0.004 . . . . . . A 25 DA H3' . 36159 1 248 . 1 1 25 25 DA H4' H 1 4.177 0.004 . . . . . . A 25 DA H4' . 36159 1 249 . 1 1 25 25 DA H5' H 1 3.990 0.006 . . . . . . A 25 DA H5' . 36159 1 250 . 1 1 25 25 DA H5'' H 1 4.020 0.006 . . . . . . A 25 DA H5'' . 36159 1 251 . 1 1 25 25 DA H8 H 1 7.694 0.005 . . . . . . A 25 DA H8 . 36159 1 252 . 1 1 26 26 DA H1' H 1 6.125 0.004 . . . . . . A 26 DA H1' . 36159 1 253 . 1 1 26 26 DA H2 H 1 6.954 0.004 . . . . . . A 26 DA H2 . 36159 1 254 . 1 1 26 26 DA H2' H 1 2.559 0.002 . . . . . . A 26 DA H2' . 36159 1 255 . 1 1 26 26 DA H2'' H 1 2.368 0.002 . . . . . . A 26 DA H2'' . 36159 1 256 . 1 1 26 26 DA H3' H 1 4.551 0.000 . . . . . . A 26 DA H3' . 36159 1 257 . 1 1 26 26 DA H4' H 1 4.092 0.001 . . . . . . A 26 DA H4' . 36159 1 258 . 1 1 26 26 DA H5' H 1 4.008 0.005 . . . . . . A 26 DA H5' . 36159 1 259 . 1 1 26 26 DA H5'' H 1 4.008 0.005 . . . . . . A 26 DA H5'' . 36159 1 260 . 1 1 26 26 DA H8 H 1 8.075 0.001 . . . . . . A 26 DA H8 . 36159 1 stop_ save_