################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15080 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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' . . . 15080 1 2 '2D 1H-1H NOESY' . . . 15080 1 4 '2D 1H-1H COSY' . . . 15080 1 5 '3D HCCH-TOCSY' . . . 15080 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.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 G C1' C 13 91.505 0.573 . 1 . . . . 1 G C1' . 15080 1 2 . 1 1 1 1 G C2' C 13 75.323 0.082 . 1 . . . . 1 G C2' . 15080 1 3 . 1 1 1 1 G C3' C 13 75.482 0.720 . 1 . . . . 1 G C3' . 15080 1 4 . 1 1 1 1 G C4' C 13 83.805 0.096 . 1 . . . . 1 G C4' . 15080 1 5 . 1 1 1 1 G C8 C 13 139.230 0.000 . 1 . . . . 1 G C8 . 15080 1 6 . 1 1 1 1 G H1 H 1 12.956 0.000 . 1 . . . . 1 G H1 . 15080 1 7 . 1 1 1 1 G H1' H 1 5.806 0.009 . 1 . . . . 1 G H1' . 15080 1 8 . 1 1 1 1 G H2' H 1 4.895 0.018 . 1 . . . . 1 G H2' . 15080 1 9 . 1 1 1 1 G H3' H 1 4.733 0.010 . 1 . . . . 1 G H3' . 15080 1 10 . 1 1 1 1 G H4' H 1 4.509 0.005 . 1 . . . . 1 G H4' . 15080 1 11 . 1 1 1 1 G H5' H 1 4.278 0.002 . 1 . . . . 1 G H5' . 15080 1 12 . 1 1 1 1 G H5'' H 1 4.120 0.000 . 1 . . . . 1 G H5'' . 15080 1 13 . 1 1 1 1 G H8 H 1 8.165 0.004 . 1 . . . . 1 G H8 . 15080 1 14 . 1 1 2 2 G C1' C 13 92.991 0.079 . 1 . . . . 2 G C1' . 15080 1 15 . 1 1 2 2 G C2' C 13 75.919 0.100 . 1 . . . . 2 G C2' . 15080 1 16 . 1 1 2 2 G C3' C 13 73.157 0.285 . 1 . . . . 2 G C3' . 15080 1 17 . 1 1 2 2 G C4' C 13 82.572 0.089 . 1 . . . . 2 G C4' . 15080 1 18 . 1 1 2 2 G C8 C 13 137.190 0.000 . 1 . . . . 2 G C8 . 15080 1 19 . 1 1 2 2 G H1 H 1 13.522 0.002 . 1 . . . . 2 G H1 . 15080 1 20 . 1 1 2 2 G H1' H 1 5.944 0.003 . 1 . . . . 2 G H1' . 15080 1 21 . 1 1 2 2 G H2' H 1 4.577 0.010 . 1 . . . . 2 G H2' . 15080 1 22 . 1 1 2 2 G H21 H 1 8.795 0.000 . 1 . . . . 2 G H21 . 15080 1 23 . 1 1 2 2 G H22 H 1 6.243 0.000 . 1 . . . . 2 G H22 . 15080 1 24 . 1 1 2 2 G H3' H 1 4.531 0.015 . 1 . . . . 2 G H3' . 15080 1 25 . 1 1 2 2 G H4' H 1 4.532 0.020 . 1 . . . . 2 G H4' . 15080 1 26 . 1 1 2 2 G H5'' H 1 4.216 0.002 . 1 . . . . 2 G H5'' . 15080 1 27 . 1 1 2 2 G H8 H 1 7.630 0.012 . 1 . . . . 2 G H8 . 15080 1 28 . 1 1 3 3 U C1' C 13 94.114 0.000 . 1 . . . . 3 U C1' . 15080 1 29 . 1 1 3 3 U C2' C 13 75.860 0.061 . 1 . . . . 3 U C2' . 15080 1 30 . 1 1 3 3 U C3' C 13 72.867 0.184 . 1 . . . . 3 U C3' . 15080 1 31 . 1 1 3 3 U C4' C 13 82.440 0.084 . 1 . . . . 3 U C4' . 15080 1 32 . 1 1 3 3 U C5 C 13 103.945 0.000 . 1 . . . . 3 U C5 . 15080 1 33 . 1 1 3 3 U C5' C 13 65.593 0.036 . 1 . . . . 3 U C5' . 15080 1 34 . 1 1 3 3 U C6 C 13 141.083 0.000 . 1 . . . . 3 U C6 . 15080 1 35 . 1 1 3 3 U H1' H 1 5.582 0.009 . 1 . . . . 3 U H1' . 15080 1 36 . 1 1 3 3 U H2' H 1 4.553 0.006 . 1 . . . . 3 U H2' . 15080 1 37 . 1 1 3 3 U H3 H 1 14.684 0.017 . 1 . . . . 3 U H3 . 15080 1 38 . 1 1 3 3 U H3' H 1 4.261 0.011 . 1 . . . . 3 U H3' . 15080 1 39 . 1 1 3 3 U H4' H 1 4.477 0.005 . 1 . . . . 3 U H4' . 15080 1 40 . 1 1 3 3 U H5 H 1 5.252 0.014 . 1 . . . . 3 U H5 . 15080 1 41 . 1 1 3 3 U H5' H 1 4.459 0.003 . 1 . . . . 3 U H5' . 15080 1 42 . 1 1 3 3 U H5'' H 1 4.069 0.007 . 1 . . . . 3 U H5'' . 15080 1 43 . 1 1 3 3 U H6 H 1 7.507 0.014 . 1 . . . . 3 U H6 . 15080 1 44 . 1 1 4 4 U C1' C 13 94.817 0.072 . 1 . . . . 4 U C1' . 15080 1 45 . 1 1 4 4 U C2 C 13 149.808 0.000 . 1 . . . . 4 U C2 . 15080 1 46 . 1 1 4 4 U C2' C 13 75.761 0.087 . 1 . . . . 4 U C2' . 15080 1 47 . 1 1 4 4 U C3' C 13 72.385 0.205 . 1 . . . . 4 U C3' . 15080 1 48 . 1 1 4 4 U C4 C 13 165.818 0.000 . 1 . . . . 4 U C4 . 15080 1 49 . 1 1 4 4 U C4' C 13 82.978 0.063 . 1 . . . . 4 U C4' . 15080 1 50 . 1 1 4 4 U C5 C 13 105.270 0.000 . 1 . . . . 4 U C5 . 15080 1 51 . 1 1 4 4 U C5' C 13 64.848 0.027 . 1 . . . . 4 U C5' . 15080 1 52 . 1 1 4 4 U C6 C 13 141.253 0.000 . 1 . . . . 4 U C6 . 15080 1 53 . 1 1 4 4 U H1' H 1 5.213 0.007 . 1 . . . . 4 U H1' . 15080 1 54 . 1 1 4 4 U H2' H 1 4.023 0.009 . 1 . . . . 4 U H2' . 15080 1 55 . 1 1 4 4 U H3 H 1 10.343 0.047 . 1 . . . . 4 U H3 . 15080 1 56 . 1 1 4 4 U H3' H 1 4.430 0.004 . 1 . . . . 4 U H3' . 15080 1 57 . 1 1 4 4 U H4' H 1 4.432 0.003 . 1 . . . . 4 U H4' . 15080 1 58 . 1 1 4 4 U H5 H 1 5.715 0.023 . 1 . . . . 4 U H5 . 15080 1 59 . 1 1 4 4 U H5' H 1 4.428 0.006 . 1 . . . . 4 U H5' . 15080 1 60 . 1 1 4 4 U H5'' H 1 4.066 0.004 . 1 . . . . 4 U H5'' . 15080 1 61 . 1 1 4 4 U H6 H 1 7.767 0.017 . 1 . . . . 4 U H6 . 15080 1 62 . 1 1 5 5 U C1' C 13 94.083 0.092 . 1 . . . . 5 U C1' . 15080 1 63 . 1 1 5 5 U C2 C 13 151.806 0.000 . 1 . . . . 5 U C2 . 15080 1 64 . 1 1 5 5 U C2' C 13 75.477 0.108 . 1 . . . . 5 U C2' . 15080 1 65 . 1 1 5 5 U C3' C 13 72.378 0.240 . 1 . . . . 5 U C3' . 15080 1 66 . 1 1 5 5 U C4 C 13 164.801 0.000 . 1 . . . . 5 U C4 . 15080 1 67 . 1 1 5 5 U C4' C 13 82.670 0.060 . 1 . . . . 5 U C4' . 15080 1 68 . 1 1 5 5 U C5 C 13 104.201 0.000 . 1 . . . . 5 U C5 . 15080 1 69 . 1 1 5 5 U C5' C 13 64.775 0.041 . 1 . . . . 5 U C5' . 15080 1 70 . 1 1 5 5 U C6 C 13 142.693 0.000 . 1 . . . . 5 U C6 . 15080 1 71 . 1 1 5 5 U H1' H 1 5.283 0.008 . 1 . . . . 5 U H1' . 15080 1 72 . 1 1 5 5 U H2' H 1 4.348 0.005 . 1 . . . . 5 U H2' . 15080 1 73 . 1 1 5 5 U H3 H 1 11.262 0.038 . 1 . . . . 5 U H3 . 15080 1 74 . 1 1 5 5 U H3' H 1 4.513 0.006 . 1 . . . . 5 U H3' . 15080 1 75 . 1 1 5 5 U H4' H 1 4.297 0.005 . 1 . . . . 5 U H4' . 15080 1 76 . 1 1 5 5 U H5 H 1 5.593 0.008 . 1 . . . . 5 U H5 . 15080 1 77 . 1 1 5 5 U H5' H 1 4.527 0.005 . 1 . . . . 5 U H5' . 15080 1 78 . 1 1 5 5 U H5'' H 1 4.065 0.003 . 1 . . . . 5 U H5'' . 15080 1 79 . 1 1 5 5 U H6 H 1 7.785 0.023 . 1 . . . . 5 U H6 . 15080 1 80 . 1 1 6 6 G C1' C 13 91.269 0.136 . 1 . . . . 6 G C1' . 15080 1 81 . 1 1 6 6 G C2' C 13 75.779 0.160 . 1 . . . . 6 G C2' . 15080 1 82 . 1 1 6 6 G C3' C 13 74.446 0.175 . 1 . . . . 6 G C3' . 15080 1 83 . 1 1 6 6 G C4' C 13 82.726 0.057 . 1 . . . . 6 G C4' . 15080 1 84 . 1 1 6 6 G C8 C 13 136.902 0.000 . 1 . . . . 6 G C8 . 15080 1 85 . 1 1 6 6 G H1 H 1 13.340 0.015 . 1 . . . . 6 G H1 . 15080 1 86 . 1 1 6 6 G H1' H 1 5.702 0.003 . 1 . . . . 6 G H1' . 15080 1 87 . 1 1 6 6 G H2' H 1 4.540 0.005 . 1 . . . . 6 G H2' . 15080 1 88 . 1 1 6 6 G H21 H 1 9.188 0.014 . 1 . . . . 6 G H21 . 15080 1 89 . 1 1 6 6 G H22 H 1 6.483 0.002 . 1 . . . . 6 G H22 . 15080 1 90 . 1 1 6 6 G H3' H 1 4.570 0.005 . 1 . . . . 6 G H3' . 15080 1 91 . 1 1 6 6 G H4' H 1 4.436 0.009 . 1 . . . . 6 G H4' . 15080 1 92 . 1 1 6 6 G H8 H 1 7.771 0.017 . 1 . . . . 6 G H8 . 15080 1 93 . 1 1 7 7 C C1' C 13 94.272 0.113 . 1 . . . . 7 C C1' . 15080 1 94 . 1 1 7 7 C C2' C 13 75.669 0.050 . 1 . . . . 7 C C2' . 15080 1 95 . 1 1 7 7 C C3' C 13 73.097 0.274 . 1 . . . . 7 C C3' . 15080 1 96 . 1 1 7 7 C C4' C 13 82.580 0.121 . 1 . . . . 7 C C4' . 15080 1 97 . 1 1 7 7 C C5 C 13 97.822 0.000 . 1 . . . . 7 C C5 . 15080 1 98 . 1 1 7 7 C C6 C 13 141.810 0.000 . 1 . . . . 7 C C6 . 15080 1 99 . 1 1 7 7 C H1' H 1 5.567 0.011 . 1 . . . . 7 C H1' . 15080 1 100 . 1 1 7 7 C H2' H 1 4.480 0.004 . 1 . . . . 7 C H2' . 15080 1 101 . 1 1 7 7 C H3' H 1 4.300 0.004 . 1 . . . . 7 C H3' . 15080 1 102 . 1 1 7 7 C H4' H 1 4.428 0.007 . 1 . . . . 7 C H4' . 15080 1 103 . 1 1 7 7 C H41 H 1 8.790 0.017 . 1 . . . . 7 C H41 . 15080 1 104 . 1 1 7 7 C H42 H 1 6.957 0.003 . 1 . . . . 7 C H42 . 15080 1 105 . 1 1 7 7 C H5 H 1 5.254 0.013 . 1 . . . . 7 C H5 . 15080 1 106 . 1 1 7 7 C H5'' H 1 4.129 0.001 . 1 . . . . 7 C H5'' . 15080 1 107 . 1 1 7 7 C H6 H 1 7.549 0.015 . 1 . . . . 7 C H6 . 15080 1 108 . 1 1 8 8 C C1' C 13 94.672 0.068 . 1 . . . . 8 C C1' . 15080 1 109 . 1 1 8 8 C C2' C 13 75.869 0.062 . 1 . . . . 8 C C2' . 15080 1 110 . 1 1 8 8 C C3' C 13 72.739 0.101 . 1 . . . . 8 C C3' . 15080 1 111 . 1 1 8 8 C C4' C 13 82.352 0.099 . 1 . . . . 8 C C4' . 15080 1 112 . 1 1 8 8 C C5 C 13 98.467 0.000 . 1 . . . . 8 C C5 . 15080 1 113 . 1 1 8 8 C C6 C 13 141.380 0.000 . 1 . . . . 8 C C6 . 15080 1 114 . 1 1 8 8 C H1' H 1 5.570 0.009 . 1 . . . . 8 C H1' . 15080 1 115 . 1 1 8 8 C H2' H 1 4.558 0.003 . 1 . . . . 8 C H2' . 15080 1 116 . 1 1 8 8 C H3' H 1 4.253 0.007 . 1 . . . . 8 C H3' . 15080 1 117 . 1 1 8 8 C H4' H 1 4.385 0.006 . 1 . . . . 8 C H4' . 15080 1 118 . 1 1 8 8 C H41 H 1 8.419 0.021 . 1 . . . . 8 C H41 . 15080 1 119 . 1 1 8 8 C H42 H 1 6.961 0.025 . 1 . . . . 8 C H42 . 15080 1 120 . 1 1 8 8 C H5 H 1 5.483 0.022 . 1 . . . . 8 C H5 . 15080 1 121 . 1 1 8 8 C H5' H 1 4.442 0.003 . 1 . . . . 8 C H5' . 15080 1 122 . 1 1 8 8 C H5'' H 1 4.040 0.002 . 1 . . . . 8 C H5'' . 15080 1 123 . 1 1 8 8 C H6 H 1 7.619 0.016 . 1 . . . . 8 C H6 . 15080 1 124 . 1 1 9 9 U C1' C 13 94.059 0.157 . 1 . . . . 9 U C1' . 15080 1 125 . 1 1 9 9 U C2' C 13 76.037 0.114 . 1 . . . . 9 U C2' . 15080 1 126 . 1 1 9 9 U C3' C 13 73.857 0.212 . 1 . . . . 9 U C3' . 15080 1 127 . 1 1 9 9 U C4' C 13 83.534 0.137 . 1 . . . . 9 U C4' . 15080 1 128 . 1 1 9 9 U C5 C 13 105.181 0.000 . 1 . . . . 9 U C5 . 15080 1 129 . 1 1 9 9 U C5' C 13 65.901 0.071 . 1 . . . . 9 U C5' . 15080 1 130 . 1 1 9 9 U C6 C 13 141.706 0.000 . 1 . . . . 9 U C6 . 15080 1 131 . 1 1 9 9 U H1' H 1 5.551 0.005 . 1 . . . . 9 U H1' . 15080 1 132 . 1 1 9 9 U H2' H 1 4.076 0.013 . 1 . . . . 9 U H2' . 15080 1 133 . 1 1 9 9 U H3' H 1 4.370 0.005 . 1 . . . . 9 U H3' . 15080 1 134 . 1 1 9 9 U H4' H 1 4.339 0.008 . 1 . . . . 9 U H4' . 15080 1 135 . 1 1 9 9 U H5 H 1 5.648 0.002 . 1 . . . . 9 U H5 . 15080 1 136 . 1 1 9 9 U H5' H 1 4.311 0.005 . 1 . . . . 9 U H5' . 15080 1 137 . 1 1 9 9 U H5'' H 1 4.012 0.004 . 1 . . . . 9 U H5'' . 15080 1 138 . 1 1 9 9 U H6 H 1 7.731 0.020 . 1 . . . . 9 U H6 . 15080 1 139 . 1 1 10 10 U C1' C 13 90.706 0.292 . 1 . . . . 10 U C1' . 15080 1 140 . 1 1 10 10 U C2' C 13 75.769 0.115 . 1 . . . . 10 U C2' . 15080 1 141 . 1 1 10 10 U C3' C 13 78.578 0.109 . 1 . . . . 10 U C3' . 15080 1 142 . 1 1 10 10 U C4' C 13 85.504 0.111 . 1 . . . . 10 U C4' . 15080 1 143 . 1 1 10 10 U C5 C 13 105.715 0.000 . 1 . . . . 10 U C5 . 15080 1 144 . 1 1 10 10 U C5' C 13 67.997 0.184 . 1 . . . . 10 U C5' . 15080 1 145 . 1 1 10 10 U C6 C 13 143.756 0.000 . 1 . . . . 10 U C6 . 15080 1 146 . 1 1 10 10 U H1' H 1 5.763 0.004 . 1 . . . . 10 U H1' . 15080 1 147 . 1 1 10 10 U H2' H 1 4.244 0.005 . 1 . . . . 10 U H2' . 15080 1 148 . 1 1 10 10 U H3' H 1 4.455 0.003 . 1 . . . . 10 U H3' . 15080 1 149 . 1 1 10 10 U H4' H 1 4.415 0.004 . 1 . . . . 10 U H4' . 15080 1 150 . 1 1 10 10 U H5 H 1 5.697 0.005 . 1 . . . . 10 U H5 . 15080 1 151 . 1 1 10 10 U H5' H 1 4.083 0.007 . 1 . . . . 10 U H5' . 15080 1 152 . 1 1 10 10 U H5'' H 1 3.927 0.008 . 1 . . . . 10 U H5'' . 15080 1 153 . 1 1 10 10 U H6 H 1 7.731 0.018 . 1 . . . . 10 U H6 . 15080 1 154 . 1 1 11 11 U C1' C 13 90.146 0.833 . 1 . . . . 11 U C1' . 15080 1 155 . 1 1 11 11 U C2' C 13 75.982 0.140 . 1 . . . . 11 U C2' . 15080 1 156 . 1 1 11 11 U C3' C 13 77.768 0.057 . 1 . . . . 11 U C3' . 15080 1 157 . 1 1 11 11 U C4' C 13 84.873 0.039 . 1 . . . . 11 U C4' . 15080 1 158 . 1 1 11 11 U C5 C 13 105.927 0.000 . 1 . . . . 11 U C5 . 15080 1 159 . 1 1 11 11 U C5' C 13 68.835 0.056 . 1 . . . . 11 U C5' . 15080 1 160 . 1 1 11 11 U C6 C 13 143.995 0.000 . 1 . . . . 11 U C6 . 15080 1 161 . 1 1 11 11 U H1' H 1 5.756 0.006 . 1 . . . . 11 U H1' . 15080 1 162 . 1 1 11 11 U H2' H 1 4.293 0.006 . 1 . . . . 11 U H2' . 15080 1 163 . 1 1 11 11 U H3' H 1 4.563 0.004 . 1 . . . . 11 U H3' . 15080 1 164 . 1 1 11 11 U H4' H 1 4.296 0.007 . 1 . . . . 11 U H4' . 15080 1 165 . 1 1 11 11 U H5 H 1 5.721 0.002 . 1 . . . . 11 U H5 . 15080 1 166 . 1 1 11 11 U H5' H 1 4.002 0.001 . 1 . . . . 11 U H5' . 15080 1 167 . 1 1 11 11 U H5'' H 1 3.944 0.004 . 1 . . . . 11 U H5'' . 15080 1 168 . 1 1 11 11 U H6 H 1 7.585 0.017 . 1 . . . . 11 U H6 . 15080 1 169 . 1 1 12 12 U C1' C 13 90.559 0.049 . 1 . . . . 12 U C1' . 15080 1 170 . 1 1 12 12 U C2' C 13 74.937 0.144 . 1 . . . . 12 U C2' . 15080 1 171 . 1 1 12 12 U C3' C 13 76.920 0.089 . 1 . . . . 12 U C3' . 15080 1 172 . 1 1 12 12 U C4' C 13 85.359 0.122 . 1 . . . . 12 U C4' . 15080 1 173 . 1 1 12 12 U C5 C 13 105.177 0.527 . 1 . . . . 12 U C5 . 15080 1 174 . 1 1 12 12 U C5' C 13 68.982 0.071 . 1 . . . . 12 U C5' . 15080 1 175 . 1 1 12 12 U C6 C 13 144.324 0.000 . 1 . . . . 12 U C6 . 15080 1 176 . 1 1 12 12 U H1' H 1 5.878 0.003 . 1 . . . . 12 U H1' . 15080 1 177 . 1 1 12 12 U H2' H 1 4.517 0.006 . 1 . . . . 12 U H2' . 15080 1 178 . 1 1 12 12 U H3' H 1 4.637 0.004 . 1 . . . . 12 U H3' . 15080 1 179 . 1 1 12 12 U H4' H 1 4.500 0.007 . 1 . . . . 12 U H4' . 15080 1 180 . 1 1 12 12 U H5 H 1 5.873 0.008 . 1 . . . . 12 U H5 . 15080 1 181 . 1 1 12 12 U H5' H 1 4.145 0.005 . 1 . . . . 12 U H5' . 15080 1 182 . 1 1 12 12 U H5'' H 1 4.076 0.005 . 1 . . . . 12 U H5'' . 15080 1 183 . 1 1 12 12 U H6 H 1 7.874 0.018 . 1 . . . . 12 U H6 . 15080 1 184 . 1 1 13 13 G C1' C 13 92.529 0.057 . 1 . . . . 13 G C1' . 15080 1 185 . 1 1 13 13 G C2' C 13 75.481 0.139 . 1 . . . . 13 G C2' . 15080 1 186 . 1 1 13 13 G C3' C 13 74.926 0.181 . 1 . . . . 13 G C3' . 15080 1 187 . 1 1 13 13 G C4' C 13 83.483 0.099 . 1 . . . . 13 G C4' . 15080 1 188 . 1 1 13 13 G C8 C 13 137.748 0.000 . 1 . . . . 13 G C8 . 15080 1 189 . 1 1 13 13 G H1 H 1 12.810 0.001 . 1 . . . . 13 G H1 . 15080 1 190 . 1 1 13 13 G H1' H 1 5.715 0.004 . 1 . . . . 13 G H1' . 15080 1 191 . 1 1 13 13 G H2' H 1 4.698 0.004 . 1 . . . . 13 G H2' . 15080 1 192 . 1 1 13 13 G H21 H 1 8.596 0.000 . 1 . . . . 13 G H21 . 15080 1 193 . 1 1 13 13 G H22 H 1 6.285 0.000 . 1 . . . . 13 G H22 . 15080 1 194 . 1 1 13 13 G H3' H 1 4.478 0.009 . 1 . . . . 13 G H3' . 15080 1 195 . 1 1 13 13 G H4' H 1 4.585 0.005 . 1 . . . . 13 G H4' . 15080 1 196 . 1 1 13 13 G H5' H 1 4.332 0.003 . 1 . . . . 13 G H5' . 15080 1 197 . 1 1 13 13 G H5'' H 1 4.148 0.003 . 1 . . . . 13 G H5'' . 15080 1 198 . 1 1 13 13 G H8 H 1 7.873 0.016 . 1 . . . . 13 G H8 . 15080 1 199 . 1 1 14 14 G C1' C 13 93.021 0.134 . 1 . . . . 14 G C1' . 15080 1 200 . 1 1 14 14 G C2' C 13 75.823 0.084 . 1 . . . . 14 G C2' . 15080 1 201 . 1 1 14 14 G C3' C 13 73.211 0.251 . 1 . . . . 14 G C3' . 15080 1 202 . 1 1 14 14 G C4' C 13 82.435 0.178 . 1 . . . . 14 G C4' . 15080 1 203 . 1 1 14 14 G C8 C 13 136.735 0.000 . 1 . . . . 14 G C8 . 15080 1 204 . 1 1 14 14 G H1 H 1 13.250 0.011 . 1 . . . . 14 G H1 . 15080 1 205 . 1 1 14 14 G H1' H 1 5.855 0.002 . 1 . . . . 14 G H1' . 15080 1 206 . 1 1 14 14 G H2' H 1 4.543 0.016 . 1 . . . . 14 G H2' . 15080 1 207 . 1 1 14 14 G H3' H 1 4.485 0.006 . 1 . . . . 14 G H3' . 15080 1 208 . 1 1 14 14 G H4' H 1 4.484 0.004 . 1 . . . . 14 G H4' . 15080 1 209 . 1 1 14 14 G H5' H 1 4.441 0.002 . 1 . . . . 14 G H5' . 15080 1 210 . 1 1 14 14 G H5'' H 1 4.155 0.002 . 1 . . . . 14 G H5'' . 15080 1 211 . 1 1 14 14 G H8 H 1 7.464 0.011 . 1 . . . . 14 G H8 . 15080 1 212 . 1 1 15 15 C C1' C 13 94.208 0.093 . 1 . . . . 15 C C1' . 15080 1 213 . 1 1 15 15 C C2' C 13 75.855 0.052 . 1 . . . . 15 C C2' . 15080 1 214 . 1 1 15 15 C C3' C 13 72.569 0.225 . 1 . . . . 15 C C3' . 15080 1 215 . 1 1 15 15 C C4' C 13 82.209 0.082 . 1 . . . . 15 C C4' . 15080 1 216 . 1 1 15 15 C C5 C 13 98.000 0.000 . 1 . . . . 15 C C5 . 15080 1 217 . 1 1 15 15 C C6 C 13 140.723 0.000 . 1 . . . . 15 C C6 . 15080 1 218 . 1 1 15 15 C H1' H 1 5.532 0.010 . 1 . . . . 15 C H1' . 15080 1 219 . 1 1 15 15 C H2' H 1 4.539 0.005 . 1 . . . . 15 C H2' . 15080 1 220 . 1 1 15 15 C H3' H 1 4.191 0.006 . 1 . . . . 15 C H3' . 15080 1 221 . 1 1 15 15 C H4' H 1 4.438 0.005 . 1 . . . . 15 C H4' . 15080 1 222 . 1 1 15 15 C H41 H 1 8.362 0.021 . 1 . . . . 15 C H41 . 15080 1 223 . 1 1 15 15 C H42 H 1 6.989 0.020 . 1 . . . . 15 C H42 . 15080 1 224 . 1 1 15 15 C H5 H 1 5.301 0.021 . 1 . . . . 15 C H5 . 15080 1 225 . 1 1 15 15 C H5'' H 1 4.047 0.002 . 1 . . . . 15 C H5'' . 15080 1 226 . 1 1 15 15 C H6 H 1 7.432 0.009 . 1 . . . . 15 C H6 . 15080 1 227 . 1 1 16 16 U C1' C 13 94.532 0.105 . 1 . . . . 16 U C1' . 15080 1 228 . 1 1 16 16 U C2 C 13 149.898 0.000 . 1 . . . . 16 U C2 . 15080 1 229 . 1 1 16 16 U C2' C 13 75.977 0.119 . 1 . . . . 16 U C2' . 15080 1 230 . 1 1 16 16 U C3' C 13 72.394 0.215 . 1 . . . . 16 U C3' . 15080 1 231 . 1 1 16 16 U C4 C 13 165.551 0.000 . 1 . . . . 16 U C4 . 15080 1 232 . 1 1 16 16 U C4' C 13 82.845 0.076 . 1 . . . . 16 U C4' . 15080 1 233 . 1 1 16 16 U C5 C 13 105.192 0.000 . 1 . . . . 16 U C5 . 15080 1 234 . 1 1 16 16 U C5' C 13 64.799 0.062 . 1 . . . . 16 U C5' . 15080 1 235 . 1 1 16 16 U C6 C 13 141.318 0.000 . 1 . . . . 16 U C6 . 15080 1 236 . 1 1 16 16 U H1' H 1 5.642 0.012 . 1 . . . . 16 U H1' . 15080 1 237 . 1 1 16 16 U H2' H 1 4.088 0.012 . 1 . . . . 16 U H2' . 15080 1 238 . 1 1 16 16 U H3 H 1 10.376 0.045 . 1 . . . . 16 U H3 . 15080 1 239 . 1 1 16 16 U H3' H 1 4.483 0.003 . 1 . . . . 16 U H3' . 15080 1 240 . 1 1 16 16 U H4' H 1 4.403 0.005 . 1 . . . . 16 U H4' . 15080 1 241 . 1 1 16 16 U H5 H 1 5.656 0.020 . 1 . . . . 16 U H5 . 15080 1 242 . 1 1 16 16 U H5' H 1 4.435 0.003 . 1 . . . . 16 U H5' . 15080 1 243 . 1 1 16 16 U H5'' H 1 4.058 0.003 . 1 . . . . 16 U H5'' . 15080 1 244 . 1 1 16 16 U H6 H 1 7.809 0.041 . 1 . . . . 16 U H6 . 15080 1 245 . 1 1 17 17 U C1' C 13 94.091 0.089 . 1 . . . . 17 U C1' . 15080 1 246 . 1 1 17 17 U C2 C 13 151.552 0.000 . 1 . . . . 17 U C2 . 15080 1 247 . 1 1 17 17 U C2' C 13 75.484 0.111 . 1 . . . . 17 U C2' . 15080 1 248 . 1 1 17 17 U C3' C 13 72.168 0.232 . 1 . . . . 17 U C3' . 15080 1 249 . 1 1 17 17 U C4 C 13 164.627 0.000 . 1 . . . . 17 U C4 . 15080 1 250 . 1 1 17 17 U C4' C 13 82.710 0.060 . 1 . . . . 17 U C4' . 15080 1 251 . 1 1 17 17 U C5 C 13 104.101 0.000 . 1 . . . . 17 U C5 . 15080 1 252 . 1 1 17 17 U C5' C 13 64.741 0.059 . 1 . . . . 17 U C5' . 15080 1 253 . 1 1 17 17 U C6 C 13 142.876 0.000 . 1 . . . . 17 U C6 . 15080 1 254 . 1 1 17 17 U H1' H 1 5.309 0.005 . 1 . . . . 17 U H1' . 15080 1 255 . 1 1 17 17 U H2' H 1 4.429 0.006 . 1 . . . . 17 U H2' . 15080 1 256 . 1 1 17 17 U H3 H 1 11.084 0.041 . 1 . . . . 17 U H3 . 15080 1 257 . 1 1 17 17 U H3' H 1 4.571 0.004 . 1 . . . . 17 U H3' . 15080 1 258 . 1 1 17 17 U H4' H 1 4.351 0.004 . 1 . . . . 17 U H4' . 15080 1 259 . 1 1 17 17 U H5 H 1 5.674 0.008 . 1 . . . . 17 U H5 . 15080 1 260 . 1 1 17 17 U H5' H 1 4.557 0.007 . 1 . . . . 17 U H5' . 15080 1 261 . 1 1 17 17 U H5'' H 1 4.086 0.004 . 1 . . . . 17 U H5'' . 15080 1 262 . 1 1 17 17 U H6 H 1 7.880 0.014 . 1 . . . . 17 U H6 . 15080 1 263 . 1 1 18 18 A C1' C 13 92.224 0.113 . 1 . . . . 18 A C1' . 15080 1 264 . 1 1 18 18 A C2 C 13 153.849 0.000 . 1 . . . . 18 A C2 . 15080 1 265 . 1 1 18 18 A C2' C 13 75.952 0.052 . 1 . . . . 18 A C2' . 15080 1 266 . 1 1 18 18 A C3' C 13 73.795 0.210 . 1 . . . . 18 A C3' . 15080 1 267 . 1 1 18 18 A C4' C 13 82.672 0.064 . 1 . . . . 18 A C4' . 15080 1 268 . 1 1 18 18 A C5' C 13 65.898 0.013 . 1 . . . . 18 A C5' . 15080 1 269 . 1 1 18 18 A C8 C 13 140.078 0.000 . 1 . . . . 18 A C8 . 15080 1 270 . 1 1 18 18 A H1' H 1 6.023 0.010 . 1 . . . . 18 A H1' . 15080 1 271 . 1 1 18 18 A H2 H 1 8.059 0.053 . 1 . . . . 18 A H2 . 15080 1 272 . 1 1 18 18 A H2' H 1 4.602 0.009 . 1 . . . . 18 A H2' . 15080 1 273 . 1 1 18 18 A H3' H 1 4.636 0.005 . 1 . . . . 18 A H3' . 15080 1 274 . 1 1 18 18 A H4' H 1 4.487 0.014 . 1 . . . . 18 A H4' . 15080 1 275 . 1 1 18 18 A H5' H 1 4.429 0.007 . 1 . . . . 18 A H5' . 15080 1 276 . 1 1 18 18 A H5'' H 1 4.122 0.003 . 1 . . . . 18 A H5'' . 15080 1 277 . 1 1 18 18 A H61 H 1 7.591 0.016 . 1 . . . . 18 A H61 . 15080 1 278 . 1 1 18 18 A H62 H 1 6.774 0.003 . 1 . . . . 18 A H62 . 15080 1 279 . 1 1 18 18 A H8 H 1 8.134 0.015 . 1 . . . . 18 A H8 . 15080 1 280 . 1 1 19 19 C C1' C 13 94.959 0.088 . 1 . . . . 19 C C1' . 15080 1 281 . 1 1 19 19 C C2' C 13 75.835 0.072 . 1 . . . . 19 C C2' . 15080 1 282 . 1 1 19 19 C C3' C 13 73.146 0.199 . 1 . . . . 19 C C3' . 15080 1 283 . 1 1 19 19 C C4' C 13 82.615 0.064 . 1 . . . . 19 C C4' . 15080 1 284 . 1 1 19 19 C C5 C 13 97.900 0.000 . 1 . . . . 19 C C5 . 15080 1 285 . 1 1 19 19 C C6 C 13 141.524 0.000 . 1 . . . . 19 C C6 . 15080 1 286 . 1 1 19 19 C H1' H 1 5.461 0.003 . 1 . . . . 19 C H1' . 15080 1 287 . 1 1 19 19 C H2' H 1 4.270 0.022 . 1 . . . . 19 C H2' . 15080 1 288 . 1 1 19 19 C H3' H 1 4.231 0.003 . 1 . . . . 19 C H3' . 15080 1 289 . 1 1 19 19 C H4' H 1 4.396 0.026 . 1 . . . . 19 C H4' . 15080 1 290 . 1 1 19 19 C H41 H 1 8.612 0.016 . 1 . . . . 19 C H41 . 15080 1 291 . 1 1 19 19 C H42 H 1 7.085 0.020 . 1 . . . . 19 C H42 . 15080 1 292 . 1 1 19 19 C H5 H 1 5.206 0.013 . 1 . . . . 19 C H5 . 15080 1 293 . 1 1 19 19 C H5' H 1 4.439 0.020 . 1 . . . . 19 C H5' . 15080 1 294 . 1 1 19 19 C H5'' H 1 4.029 0.001 . 1 . . . . 19 C H5'' . 15080 1 295 . 1 1 19 19 C H6 H 1 7.332 0.014 . 1 . . . . 19 C H6 . 15080 1 296 . 1 1 20 20 C C1' C 13 93.028 0.121 . 1 . . . . 20 C C1' . 15080 1 297 . 1 1 20 20 C C2' C 13 77.751 0.108 . 1 . . . . 20 C C2' . 15080 1 298 . 1 1 20 20 C C3' C 13 69.968 0.213 . 1 . . . . 20 C C3' . 15080 1 299 . 1 1 20 20 C C4' C 13 83.874 0.087 . 1 . . . . 20 C C4' . 15080 1 300 . 1 1 20 20 C C5 C 13 98.701 0.000 . 1 . . . . 20 C C5 . 15080 1 301 . 1 1 20 20 C C6 C 13 142.175 0.000 . 1 . . . . 20 C C6 . 15080 1 302 . 1 1 20 20 C H1' H 1 5.800 0.006 . 1 . . . . 20 C H1' . 15080 1 303 . 1 1 20 20 C H2' H 1 4.019 0.009 . 1 . . . . 20 C H2' . 15080 1 304 . 1 1 20 20 C H3' H 1 4.174 0.005 . 1 . . . . 20 C H3' . 15080 1 305 . 1 1 20 20 C H4' H 1 4.169 0.006 . 1 . . . . 20 C H4' . 15080 1 306 . 1 1 20 20 C H41 H 1 8.398 0.023 . 1 . . . . 20 C H41 . 15080 1 307 . 1 1 20 20 C H42 H 1 7.066 0.017 . 1 . . . . 20 C H42 . 15080 1 308 . 1 1 20 20 C H5 H 1 5.515 0.018 . 1 . . . . 20 C H5 . 15080 1 309 . 1 1 20 20 C H5'' H 1 4.475 0.003 . 1 . . . . 20 C H5'' . 15080 1 310 . 1 1 20 20 C H6 H 1 7.703 0.022 . 1 . . . . 20 C H6 . 15080 1 stop_ save_