################################### # 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 34714 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 TOCSY' . . . 34714 1 2 '2D 1H-1H NOESY' . . . 34714 1 3 '2D 1H-13C HSQC' . . . 34714 1 4 '2D 1H-15N HSQC' . . . 34714 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 DT H1' H 1 5.175 0.002 9 1 . . . . A 1 DT H1' . 34714 1 2 . 1 . 1 1 1 DT H2' H 1 0.948 0.004 11 1 . . . . A 1 DT H2' . 34714 1 3 . 1 . 1 1 1 DT H2'' H 1 1.462 0.002 12 1 . . . . A 1 DT H2'' . 34714 1 4 . 1 . 1 1 1 DT H3' H 1 3.964 0.003 11 1 . . . . A 1 DT H3' . 34714 1 5 . 1 . 1 1 1 DT H4' H 1 3.315 0.003 7 1 . . . . A 1 DT H4' . 34714 1 6 . 1 . 1 1 1 DT H5' H 1 2.951 0.003 13 2 . . . . A 1 DT H5' . 34714 1 7 . 1 . 1 1 1 DT H5'' H 1 2.951 0.003 13 2 . . . . A 1 DT H5'' . 34714 1 8 . 1 . 1 1 1 DT H6 H 1 6.663 0.001 13 1 . . . . A 1 DT H6 . 34714 1 9 . 1 . 1 1 1 DT H71 H 1 0.859 0.004 16 2 . . . . A 1 DT H71 . 34714 1 10 . 1 . 1 1 1 DT H72 H 1 0.859 0.004 16 2 . . . . A 1 DT H72 . 34714 1 11 . 1 . 1 1 1 DT H73 H 1 0.859 0.004 16 2 . . . . A 1 DT H73 . 34714 1 12 . 1 . 1 2 2 DA H1' H 1 5.715 0.005 2 1 . . . . A 2 DA H1' . 34714 1 13 . 1 . 1 2 2 DA H2 H 1 7.411 0.001 1 1 . . . . A 2 DA H2 . 34714 1 14 . 1 . 1 2 2 DA H8 H 1 7.763 0.005 1 1 . . . . A 2 DA H8 . 34714 1 15 . 1 . 1 3 3 DG H1' H 1 6.026 0.005 13 1 . . . . A 3 DG H1' . 34714 1 16 . 1 . 1 3 3 DG H2' H 1 3.022 0.005 16 1 . . . . A 3 DG H2' . 34714 1 17 . 1 . 1 3 3 DG H2'' H 1 2.854 0.004 17 1 . . . . A 3 DG H2'' . 34714 1 18 . 1 . 1 3 3 DG H3' H 1 5.630 0.005 10 1 . . . . A 3 DG H3' . 34714 1 19 . 1 . 1 3 3 DG H4' H 1 4.203 0.006 12 1 . . . . A 3 DG H4' . 34714 1 20 . 1 . 1 3 3 DG H8 H 1 6.756 0.003 15 1 . . . . A 3 DG H8 . 34714 1 21 . 1 . 1 4 4 DG H1 H 1 11.210 0.004 10 1 . . . . A 4 DG H1 . 34714 1 22 . 1 . 1 4 4 DG H1' H 1 5.680 0.005 15 1 . . . . A 4 DG H1' . 34714 1 23 . 1 . 1 4 4 DG H2' H 1 3.184 0.005 15 1 . . . . A 4 DG H2' . 34714 1 24 . 1 . 1 4 4 DG H2'' H 1 2.669 0.003 12 1 . . . . A 4 DG H2'' . 34714 1 25 . 1 . 1 4 4 DG H3' H 1 4.918 0.005 7 1 . . . . A 4 DG H3' . 34714 1 26 . 1 . 1 4 4 DG H4' H 1 4.352 0.007 14 1 . . . . A 4 DG H4' . 34714 1 27 . 1 . 1 4 4 DG H8 H 1 6.654 0.002 22 1 . . . . A 4 DG H8 . 34714 1 28 . 1 . 1 5 5 DG H1 H 1 11.240 0.002 4 1 . . . . A 5 DG H1 . 34714 1 29 . 1 . 1 5 5 DG H1' H 1 5.638 0.005 16 1 . . . . A 5 DG H1' . 34714 1 30 . 1 . 1 5 5 DG H2' H 1 2.524 0.005 9 1 . . . . A 5 DG H2' . 34714 1 31 . 1 . 1 5 5 DG H2'' H 1 2.434 0.004 11 1 . . . . A 5 DG H2'' . 34714 1 32 . 1 . 1 5 5 DG H3' H 1 5.078 0.006 14 1 . . . . A 5 DG H3' . 34714 1 33 . 1 . 1 5 5 DG H4' H 1 4.254 0.006 5 1 . . . . A 5 DG H4' . 34714 1 34 . 1 . 1 5 5 DG H5' H 1 4.150 0.003 9 2 . . . . A 5 DG H5' . 34714 1 35 . 1 . 1 5 5 DG H5'' H 1 4.150 0.006 4 2 . . . . A 5 DG H5'' . 34714 1 36 . 1 . 1 5 5 DG H8 H 1 7.367 0.003 26 1 . . . . A 5 DG H8 . 34714 1 37 . 1 . 1 6 6 DT H1' H 1 6.201 0.004 13 1 . . . . A 6 DT H1' . 34714 1 38 . 1 . 1 6 6 DT H2' H 1 2.243 0.006 14 1 . . . . A 6 DT H2' . 34714 1 39 . 1 . 1 6 6 DT H2'' H 1 2.392 0.005 14 1 . . . . A 6 DT H2'' . 34714 1 40 . 1 . 1 6 6 DT H3' H 1 4.816 0.007 7 1 . . . . A 6 DT H3' . 34714 1 41 . 1 . 1 6 6 DT H4' H 1 4.333 0.007 6 1 . . . . A 6 DT H4' . 34714 1 42 . 1 . 1 6 6 DT H5' H 1 4.067 0.007 4 2 . . . . A 6 DT H5' . 34714 1 43 . 1 . 1 6 6 DT H5'' H 1 4.218 0.004 8 2 . . . . A 6 DT H5'' . 34714 1 44 . 1 . 1 6 6 DT H6 H 1 7.800 0.001 14 1 . . . . A 6 DT H6 . 34714 1 45 . 1 . 1 6 6 DT H71 H 1 1.918 0.003 11 2 . . . . A 6 DT H71 . 34714 1 46 . 1 . 1 6 6 DT H72 H 1 1.918 0.003 11 2 . . . . A 6 DT H72 . 34714 1 47 . 1 . 1 6 6 DT H73 H 1 1.918 0.003 11 2 . . . . A 6 DT H73 . 34714 1 48 . 1 . 1 7 7 DT H1' H 1 5.716 0.004 15 1 . . . . A 7 DT H1' . 34714 1 49 . 1 . 1 7 7 DT H2' H 1 1.075 0.004 19 1 . . . . A 7 DT H2' . 34714 1 50 . 1 . 1 7 7 DT H2'' H 1 1.916 0.006 15 1 . . . . A 7 DT H2'' . 34714 1 51 . 1 . 1 7 7 DT H3' H 1 4.601 0.004 7 1 . . . . A 7 DT H3' . 34714 1 52 . 1 . 1 7 7 DT H4' H 1 4.048 0.003 8 1 . . . . A 7 DT H4' . 34714 1 53 . 1 . 1 7 7 DT H5' H 1 3.870 0.001 4 2 . . . . A 7 DT H5' . 34714 1 54 . 1 . 1 7 7 DT H5'' H 1 3.810 0.008 6 2 . . . . A 7 DT H5'' . 34714 1 55 . 1 . 1 7 7 DT H6 H 1 7.110 0.003 26 1 . . . . A 7 DT H6 . 34714 1 56 . 1 . 1 7 7 DT H71 H 1 1.521 0.004 20 2 . . . . A 7 DT H71 . 34714 1 57 . 1 . 1 7 7 DT H72 H 1 1.521 0.004 1 2 . . . . A 7 DT H72 . 34714 1 58 . 1 . 1 7 7 DT H73 H 1 1.521 0.004 1 2 . . . . A 7 DT H73 . 34714 1 59 . 1 . 1 8 8 DA H1' H 1 5.962 0.006 16 1 . . . . A 8 DA H1' . 34714 1 60 . 1 . 1 8 8 DA H2 H 1 7.750 0.003 9 1 . . . . A 8 DA H2 . 34714 1 61 . 1 . 1 8 8 DA H2' H 1 2.707 0.005 9 1 . . . . A 8 DA H2' . 34714 1 62 . 1 . 1 8 8 DA H2'' H 1 2.605 0.003 6 1 . . . . A 8 DA H2'' . 34714 1 63 . 1 . 1 8 8 DA H3' H 1 4.901 0.007 10 1 . . . . A 8 DA H3' . 34714 1 64 . 1 . 1 8 8 DA H4' H 1 4.175 0.004 8 1 . . . . A 8 DA H4' . 34714 1 65 . 1 . 1 8 8 DA H5' H 1 3.892 0.005 8 2 . . . . A 8 DA H5' . 34714 1 66 . 1 . 1 8 8 DA H5'' H 1 3.696 0.006 11 2 . . . . A 8 DA H5'' . 34714 1 67 . 1 . 1 8 8 DA H8 H 1 7.958 0.005 23 1 . . . . A 8 DA H8 . 34714 1 68 . 1 . 1 9 9 DG H1 H 1 11.270 0.007 10 1 . . . . A 9 DG H1 . 34714 1 69 . 1 . 1 9 9 DG H1' H 1 5.837 0.005 11 1 . . . . A 9 DG H1' . 34714 1 70 . 1 . 1 9 9 DG H2' H 1 3.312 0.003 9 1 . . . . A 9 DG H2' . 34714 1 71 . 1 . 1 9 9 DG H2'' H 1 2.780 0.003 5 1 . . . . A 9 DG H2'' . 34714 1 72 . 1 . 1 9 9 DG H3' H 1 4.891 0.005 5 1 . . . . A 9 DG H3' . 34714 1 73 . 1 . 1 9 9 DG H4' H 1 4.265 0.002 3 1 . . . . A 9 DG H4' . 34714 1 74 . 1 . 1 9 9 DG H8 H 1 7.189 0.004 19 1 . . . . A 9 DG H8 . 34714 1 75 . 1 . 1 10 10 DG H1 H 1 11.360 0.005 17 1 . . . . A 10 DG H1 . 34714 1 76 . 1 . 1 10 10 DG H1' H 1 5.779 0.005 11 1 . . . . A 10 DG H1' . 34714 1 77 . 1 . 1 10 10 DG H2' H 1 2.530 0.006 6 1 . . . . A 10 DG H2' . 34714 1 78 . 1 . 1 10 10 DG H2'' H 1 2.581 0.006 6 1 . . . . A 10 DG H2'' . 34714 1 79 . 1 . 1 10 10 DG H3' H 1 5.091 0.004 10 1 . . . . A 10 DG H3' . 34714 1 80 . 1 . 1 10 10 DG H4' H 1 4.280 0.001 5 1 . . . . A 10 DG H4' . 34714 1 81 . 1 . 1 10 10 DG H5' H 1 4.151 0.004 4 2 . . . . A 10 DG H5' . 34714 1 82 . 1 . 1 10 10 DG H5'' H 1 4.151 0.004 4 2 . . . . A 10 DG H5'' . 34714 1 83 . 1 . 1 10 10 DG H8 H 1 7.669 0.006 21 1 . . . . A 10 DG H8 . 34714 1 84 . 1 . 1 11 11 DG H1' H 1 5.885 0.006 9 1 . . . . A 11 DG H1' . 34714 1 85 . 1 . 1 11 11 DG H2' H 1 2.814 0.003 10 1 . . . . A 11 DG H2' . 34714 1 86 . 1 . 1 11 11 DG H2'' H 1 2.583 0.004 7 1 . . . . A 11 DG H2'' . 34714 1 87 . 1 . 1 11 11 DG H3' H 1 4.988 0.004 7 1 . . . . A 11 DG H3' . 34714 1 88 . 1 . 1 11 11 DG H4' H 1 4.501 0.004 6 1 . . . . A 11 DG H4' . 34714 1 89 . 1 . 1 11 11 DG H5' H 1 4.279 0.001 2 2 . . . . A 11 DG H5' . 34714 1 90 . 1 . 1 11 11 DG H5'' H 1 4.279 0.001 2 2 . . . . A 11 DG H5'' . 34714 1 91 . 1 . 1 11 11 DG H8 H 1 8.069 0.006 17 1 . . . . A 11 DG H8 . 34714 1 92 . 1 . 1 12 12 DT H1' H 1 6.328 0.003 11 1 . . . . A 12 DT H1' . 34714 1 93 . 1 . 1 12 12 DT H2' H 1 2.374 0.004 9 1 . . . . A 12 DT H2' . 34714 1 94 . 1 . 1 12 12 DT H2'' H 1 2.554 0.005 12 1 . . . . A 12 DT H2'' . 34714 1 95 . 1 . 1 12 12 DT H3' H 1 4.887 0.003 6 1 . . . . A 12 DT H3' . 34714 1 96 . 1 . 1 12 12 DT H4' H 1 4.486 0.003 5 1 . . . . A 12 DT H4' . 34714 1 97 . 1 . 1 12 12 DT H5' H 1 4.137 0.003 6 2 . . . . A 12 DT H5' . 34714 1 98 . 1 . 1 12 12 DT H5'' H 1 4.211 0.006 3 2 . . . . A 12 DT H5'' . 34714 1 99 . 1 . 1 12 12 DT H6 H 1 7.762 0.002 12 1 . . . . A 12 DT H6 . 34714 1 100 . 1 . 1 12 12 DT H71 H 1 1.932 0.002 5 2 . . . . A 12 DT H71 . 34714 1 101 . 1 . 1 12 12 DT H72 H 1 1.932 0.002 5 2 . . . . A 12 DT H72 . 34714 1 102 . 1 . 1 12 12 DT H73 H 1 1.932 0.002 5 2 . . . . A 12 DT H73 . 34714 1 103 . 1 . 1 13 13 DT H1' H 1 6.143 0.006 13 1 . . . . A 13 DT H1' . 34714 1 104 . 1 . 1 13 13 DT H2' H 1 1.838 0.004 13 1 . . . . A 13 DT H2' . 34714 1 105 . 1 . 1 13 13 DT H2'' H 1 2.188 0.005 12 1 . . . . A 13 DT H2'' . 34714 1 106 . 1 . 1 13 13 DT H3' H 1 4.495 0.007 6 1 . . . . A 13 DT H3' . 34714 1 107 . 1 . 1 13 13 DT H4' H 1 4.161 0.003 6 1 . . . . A 13 DT H4' . 34714 1 108 . 1 . 1 13 13 DT H5' H 1 4.036 0.002 5 2 . . . . A 13 DT H5' . 34714 1 109 . 1 . 1 13 13 DT H5'' H 1 4.036 0.002 5 2 . . . . A 13 DT H5'' . 34714 1 110 . 1 . 1 13 13 DT H6 H 1 7.543 0.002 15 1 . . . . A 13 DT H6 . 34714 1 111 . 1 . 1 13 13 DT H71 H 1 1.533 0.005 21 2 . . . . A 13 DT H71 . 34714 1 112 . 1 . 1 13 13 DT H72 H 1 1.533 0.005 21 2 . . . . A 13 DT H72 . 34714 1 113 . 1 . 1 13 13 DT H73 H 1 1.533 0.005 21 2 . . . . A 13 DT H73 . 34714 1 114 . 1 . 1 14 14 DA H1' H 1 5.708 0.006 11 1 . . . . A 14 DA H1' . 34714 1 115 . 1 . 1 14 14 DA H2 H 1 7.553 0.003 4 1 . . . . A 14 DA H2 . 34714 1 116 . 1 . 1 14 14 DA H2' H 1 1.805 0.005 12 1 . . . . A 14 DA H2' . 34714 1 117 . 1 . 1 14 14 DA H2'' H 1 2.504 0.006 9 1 . . . . A 14 DA H2'' . 34714 1 118 . 1 . 1 14 14 DA H3' H 1 4.603 0.007 5 1 . . . . A 14 DA H3' . 34714 1 119 . 1 . 1 14 14 DA H4' H 1 4.048 0.006 5 1 . . . . A 14 DA H4' . 34714 1 120 . 1 . 1 14 14 DA H5' H 1 3.850 0.001 2 2 . . . . A 14 DA H5' . 34714 1 121 . 1 . 1 14 14 DA H5'' H 1 3.806 0.004 4 2 . . . . A 14 DA H5'' . 34714 1 122 . 1 . 1 14 14 DA H8 H 1 7.105 0.004 18 1 . . . . A 14 DA H8 . 34714 1 123 . 1 . 1 15 15 DG H1 H 1 10.160 0.004 16 1 . . . . A 15 DG H1 . 34714 1 124 . 1 . 1 15 15 DG H1' H 1 6.111 0.003 11 1 . . . . A 15 DG H1' . 34714 1 125 . 1 . 1 15 15 DG H2' H 1 2.820 0.007 3 1 . . . . A 15 DG H2' . 34714 1 126 . 1 . 1 15 15 DG H2'' H 1 2.921 0.005 8 1 . . . . A 15 DG H2'' . 34714 1 127 . 1 . 1 15 15 DG H3' H 1 5.460 0.006 12 1 . . . . A 15 DG H3' . 34714 1 128 . 1 . 1 15 15 DG H4' H 1 4.204 0.002 6 1 . . . . A 15 DG H4' . 34714 1 129 . 1 . 1 15 15 DG H5' H 1 4.085 0.000 2 2 . . . . A 15 DG H5' . 34714 1 130 . 1 . 1 15 15 DG H5'' H 1 4.085 0.000 2 2 . . . . A 15 DG H5'' . 34714 1 131 . 1 . 1 15 15 DG H8 H 1 7.507 0.004 12 1 . . . . A 15 DG H8 . 34714 1 132 . 1 . 1 16 16 DG H1 H 1 10.540 0.004 17 1 . . . . A 16 DG H1 . 34714 1 133 . 1 . 1 16 16 DG H1' H 1 5.819 0.004 10 1 . . . . A 16 DG H1' . 34714 1 134 . 1 . 1 16 16 DG H2' H 1 2.872 0.002 7 1 . . . . A 16 DG H2' . 34714 1 135 . 1 . 1 16 16 DG H2'' H 1 2.580 0.005 5 1 . . . . A 16 DG H2'' . 34714 1 136 . 1 . 1 16 16 DG H3' H 1 4.814 0.007 7 1 . . . . A 16 DG H3' . 34714 1 137 . 1 . 1 16 16 DG H4' H 1 4.444 0.007 4 1 . . . . A 16 DG H4' . 34714 1 138 . 1 . 1 16 16 DG H8 H 1 7.127 0.004 15 1 . . . . A 16 DG H8 . 34714 1 139 . 1 . 1 17 17 DG H1 H 1 11.210 0.001 4 1 . . . . A 17 DG H1 . 34714 1 140 . 1 . 1 17 17 DG H1' H 1 5.710 0.001 10 1 . . . . A 17 DG H1' . 34714 1 141 . 1 . 1 17 17 DG H2' H 1 2.458 0.005 6 1 . . . . A 17 DG H2' . 34714 1 142 . 1 . 1 17 17 DG H2'' H 1 2.494 0.001 7 1 . . . . A 17 DG H2'' . 34714 1 143 . 1 . 1 17 17 DG H3' H 1 5.077 0.003 11 1 . . . . A 17 DG H3' . 34714 1 144 . 1 . 1 17 17 DG H4' H 1 4.268 0.004 6 1 . . . . A 17 DG H4' . 34714 1 145 . 1 . 1 17 17 DG H5' H 1 4.164 0.005 4 2 . . . . A 17 DG H5' . 34714 1 146 . 1 . 1 17 17 DG H5'' H 1 4.164 0.005 4 2 . . . . A 17 DG H5'' . 34714 1 147 . 1 . 1 17 17 DG H8 H 1 7.364 0.004 24 1 . . . . A 17 DG H8 . 34714 1 148 . 1 . 1 18 18 DT H1' H 1 6.210 0.003 14 1 . . . . A 18 DT H1' . 34714 1 149 . 1 . 1 18 18 DT H2' H 1 2.248 0.007 13 1 . . . . A 18 DT H2' . 34714 1 150 . 1 . 1 18 18 DT H2'' H 1 2.384 0.007 14 1 . . . . A 18 DT H2'' . 34714 1 151 . 1 . 1 18 18 DT H3' H 1 4.820 0.006 9 1 . . . . A 18 DT H3' . 34714 1 152 . 1 . 1 18 18 DT H4' H 1 4.326 0.006 7 1 . . . . A 18 DT H4' . 34714 1 153 . 1 . 1 18 18 DT H5' H 1 4.070 0.005 5 2 . . . . A 18 DT H5' . 34714 1 154 . 1 . 1 18 18 DT H5'' H 1 4.218 0.003 8 2 . . . . A 18 DT H5'' . 34714 1 155 . 1 . 1 18 18 DT H6 H 1 7.805 0.004 15 1 . . . . A 18 DT H6 . 34714 1 156 . 1 . 1 18 18 DT H71 H 1 1.934 0.004 9 2 . . . . A 18 DT H71 . 34714 1 157 . 1 . 1 18 18 DT H72 H 1 1.934 0.004 9 2 . . . . A 18 DT H72 . 34714 1 158 . 1 . 1 18 18 DT H73 H 1 1.934 0.004 9 2 . . . . A 18 DT H73 . 34714 1 159 . 1 . 1 19 19 DT H1' H 1 5.726 0.007 16 1 . . . . A 19 DT H1' . 34714 1 160 . 1 . 1 19 19 DT H2' H 1 1.086 0.007 21 1 . . . . A 19 DT H2' . 34714 1 161 . 1 . 1 19 19 DT H2'' H 1 1.936 0.007 12 1 . . . . A 19 DT H2'' . 34714 1 162 . 1 . 1 19 19 DT H3' H 1 4.606 0.005 6 1 . . . . A 19 DT H3' . 34714 1 163 . 1 . 1 19 19 DT H4' H 1 4.053 0.007 10 1 . . . . A 19 DT H4' . 34714 1 164 . 1 . 1 19 19 DT H5' H 1 3.861 0.004 3 2 . . . . A 19 DT H5' . 34714 1 165 . 1 . 1 19 19 DT H5'' H 1 3.800 0.004 5 2 . . . . A 19 DT H5'' . 34714 1 166 . 1 . 1 19 19 DT H6 H 1 7.109 0.002 23 1 . . . . A 19 DT H6 . 34714 1 167 . 1 . 1 19 19 DT H71 H 1 1.517 0.003 24 2 . . . . A 19 DT H71 . 34714 1 168 . 1 . 1 19 19 DT H72 H 1 1.517 0.003 24 2 . . . . A 19 DT H72 . 34714 1 169 . 1 . 1 19 19 DT H73 H 1 1.517 0.003 24 2 . . . . A 19 DT H73 . 34714 1 170 . 1 . 1 20 20 DA H1' H 1 6.020 0.005 16 1 . . . . A 20 DA H1' . 34714 1 171 . 1 . 1 20 20 DA H2 H 1 7.781 0.003 9 1 . . . . A 20 DA H2 . 34714 1 172 . 1 . 1 20 20 DA H2' H 1 2.736 0.007 8 1 . . . . A 20 DA H2' . 34714 1 173 . 1 . 1 20 20 DA H2'' H 1 2.620 0.006 6 1 . . . . A 20 DA H2'' . 34714 1 174 . 1 . 1 20 20 DA H3' H 1 4.908 0.005 9 1 . . . . A 20 DA H3' . 34714 1 175 . 1 . 1 20 20 DA H4' H 1 4.185 0.006 8 1 . . . . A 20 DA H4' . 34714 1 176 . 1 . 1 20 20 DA H5' H 1 3.905 0.006 8 2 . . . . A 20 DA H5' . 34714 1 177 . 1 . 1 20 20 DA H5'' H 1 3.711 0.004 9 2 . . . . A 20 DA H5'' . 34714 1 178 . 1 . 1 20 20 DA H8 H 1 7.995 0.005 24 1 . . . . A 20 DA H8 . 34714 1 179 . 1 . 1 21 21 DG H1 H 1 11.220 0.001 9 1 . . . . A 21 DG H1 . 34714 1 180 . 1 . 1 21 21 DG H1' H 1 5.809 0.008 8 1 . . . . A 21 DG H1' . 34714 1 181 . 1 . 1 21 21 DG H2' H 1 3.302 0.007 16 1 . . . . A 21 DG H2' . 34714 1 182 . 1 . 1 21 21 DG H2'' H 1 2.767 0.006 12 1 . . . . A 21 DG H2'' . 34714 1 183 . 1 . 1 21 21 DG H3' H 1 4.909 0.005 6 1 . . . . A 21 DG H3' . 34714 1 184 . 1 . 1 21 21 DG H4' H 1 4.287 0.004 4 1 . . . . A 21 DG H4' . 34714 1 185 . 1 . 1 21 21 DG H5' H 1 4.157 0.006 2 2 . . . . A 21 DG H5' . 34714 1 186 . 1 . 1 21 21 DG H5'' H 1 4.157 0.006 2 2 . . . . A 21 DG H5'' . 34714 1 187 . 1 . 1 21 21 DG H8 H 1 7.034 0.003 18 1 . . . . A 21 DG H8 . 34714 1 188 . 1 . 1 22 22 DG H1 H 1 11.170 0.005 5 1 . . . . A 22 DG H1 . 34714 1 189 . 1 . 1 22 22 DG H1' H 1 5.387 0.004 16 1 . . . . A 22 DG H1' . 34714 1 190 . 1 . 1 22 22 DG H2' H 1 2.674 0.003 6 1 . . . . A 22 DG H2' . 34714 1 191 . 1 . 1 22 22 DG H2'' H 1 2.662 0.001 5 1 . . . . A 22 DG H2'' . 34714 1 192 . 1 . 1 22 22 DG H3' H 1 5.082 0.003 12 1 . . . . A 22 DG H3' . 34714 1 193 . 1 . 1 22 22 DG H4' H 1 4.269 0.003 10 1 . . . . A 22 DG H4' . 34714 1 194 . 1 . 1 22 22 DG H5' H 1 4.157 0.003 9 2 . . . . A 22 DG H5' . 34714 1 195 . 1 . 1 22 22 DG H5'' H 1 4.157 0.003 4 2 . . . . A 22 DG H5'' . 34714 1 196 . 1 . 1 22 22 DG H8 H 1 8.064 0.003 21 1 . . . . A 22 DG H8 . 34714 1 197 . 1 . 1 23 23 DG H1 H 1 10.020 0.002 1 1 . . . . A 23 DG H1 . 34714 1 198 . 1 . 1 23 23 DG H1' H 1 5.598 0.003 8 1 . . . . A 23 DG H1' . 34714 1 199 . 1 . 1 23 23 DG H2' H 1 2.667 0.002 7 1 . . . . A 23 DG H2' . 34714 1 200 . 1 . 1 23 23 DG H2'' H 1 2.392 0.004 4 1 . . . . A 23 DG H2'' . 34714 1 201 . 1 . 1 23 23 DG H3' H 1 4.513 0.007 6 1 . . . . A 23 DG H3' . 34714 1 202 . 1 . 1 23 23 DG H4' H 1 4.211 0.006 8 1 . . . . A 23 DG H4' . 34714 1 203 . 1 . 1 23 23 DG H5' H 1 4.404 0.004 4 2 . . . . A 23 DG H5' . 34714 1 204 . 1 . 1 23 23 DG H5'' H 1 4.120 0.002 4 2 . . . . A 23 DG H5'' . 34714 1 205 . 1 . 1 23 23 DG H8 H 1 7.504 0.006 8 1 . . . . A 23 DG H8 . 34714 1 206 . 2 . 2 1 1 PQ3 HA H 1 12.070 0.002 11 1 . . . . A 101 PQ3 HA . 34714 1 207 . 2 . 2 1 1 PQ3 HA' H 1 12.073 0.002 7 1 . . . . A 101 PQ3 HA' . 34714 1 208 . 2 . 2 1 1 PQ3 HB H 1 9.046 0.005 20 1 . . . . A 101 PQ3 HB . 34714 1 209 . 2 . 2 1 1 PQ3 HB' H 1 8.917 0.003 19 1 . . . . A 101 PQ3 HB' . 34714 1 210 . 2 . 2 1 1 PQ3 HC H 1 10.060 0.003 19 1 . . . . A 101 PQ3 HC . 34714 1 211 . 2 . 2 1 1 PQ3 HC' H 1 10.280 0.004 21 1 . . . . A 101 PQ3 HC' . 34714 1 212 . 2 . 2 1 1 PQ3 HD H 1 7.865 0.003 20 1 . . . . A 101 PQ3 HD . 34714 1 213 . 2 . 2 1 1 PQ3 HD' H 1 7.601 0.005 21 1 . . . . A 101 PQ3 HD' . 34714 1 214 . 2 . 2 1 1 PQ3 HE H 1 7.432 0.005 11 1 . . . . A 101 PQ3 HE . 34714 1 215 . 2 . 2 1 1 PQ3 HE' H 1 7.390 0.006 15 1 . . . . A 101 PQ3 HE' . 34714 1 216 . 2 . 2 1 1 PQ3 HF H 1 7.106 0.002 20 1 . . . . A 101 PQ3 HF . 34714 1 217 . 2 . 2 1 1 PQ3 HF' H 1 6.920 0.006 30 1 . . . . A 101 PQ3 HF' . 34714 1 218 . 2 . 2 1 1 PQ3 HG H 1 7.504 0.004 10 1 . . . . A 101 PQ3 HG . 34714 1 219 . 2 . 2 1 1 PQ3 HG' H 1 7.105 0.001 14 1 . . . . A 101 PQ3 HG' . 34714 1 220 . 2 . 2 1 1 PQ3 HI1 H 1 4.696 0.007 14 2 . . . . A 101 PQ3 HI1 . 34714 1 221 . 2 . 2 1 1 PQ3 HI2 H 1 4.696 0.007 14 2 . . . . A 101 PQ3 HI2 . 34714 1 222 . 2 . 2 1 1 PQ3 HI3 H 1 4.696 0.007 14 2 . . . . A 101 PQ3 HI3 . 34714 1 223 . 2 . 2 1 1 PQ3 HI1' H 1 4.512 0.004 12 2 . . . . A 101 PQ3 HI1' . 34714 1 224 . 2 . 2 1 1 PQ3 HI2' H 1 4.512 0.004 12 2 . . . . A 101 PQ3 HI2' . 34714 1 225 . 2 . 2 1 1 PQ3 HI3' H 1 4.512 0.004 12 2 . . . . A 101 PQ3 HI3' . 34714 1 226 . 2 . 2 1 1 PQ3 HH H 1 7.251 0.002 17 1 . . . . A 101 PQ3 HH . 34714 1 227 . 2 . 2 1 1 PQ3 HH' H 1 7.228 0.007 25 1 . . . . A 101 PQ3 HH' . 34714 1 228 . 2 . 2 1 1 PQ3 HJ H 1 8.496 0.003 17 1 . . . . A 101 PQ3 HJ . 34714 1 229 . 2 . 2 1 1 PQ3 HJ' H 1 8.349 0.003 23 1 . . . . A 101 PQ3 HJ' . 34714 1 230 . 2 . 2 1 1 PQ3 HK H 1 8.212 0.006 14 1 . . . . A 101 PQ3 HK . 34714 1 231 . 2 . 2 1 1 PQ3 HK' H 1 8.113 0.006 18 1 . . . . A 101 PQ3 HK' . 34714 1 stop_ save_