################################### # 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5703 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5703 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 H1 H 1 12.852 0.014 . 1 . . . . . . . . 5703 1 2 . 1 1 1 1 G H8 H 1 8.089 0.001 . 1 . . . . . . . . 5703 1 3 . 1 1 1 1 G C8 C 13 138.1 0.020 . 1 . . . . . . . . 5703 1 4 . 1 1 1 1 G H1' H 1 5.824 0.001 . 1 . . . . . . . . 5703 1 5 . 1 1 1 1 G H2' H 1 4.967 0.013 . 1 . . . . . . . . 5703 1 6 . 1 1 1 1 G H3' H 1 4.750 0.001 . 1 . . . . . . . . 5703 1 7 . 1 1 1 1 G H4' H 1 4.53 0.001 . 1 . . . . . . . . 5703 1 8 . 1 1 1 1 G C1' C 13 91.62 0.022 . 1 . . . . . . . . 5703 1 9 . 1 1 2 2 G H1 H 1 13.45 0.010 . 1 . . . . . . . . 5703 1 10 . 1 1 2 2 G H21 H 1 8.59 0.009 . 1 . . . . . . . . 5703 1 11 . 1 1 2 2 G H22 H 1 6.19 0.009 . 1 . . . . . . . . 5703 1 12 . 1 1 2 2 G H8 H 1 7.540 0.001 . 1 . . . . . . . . 5703 1 13 . 1 1 2 2 G C8 C 13 136.3 0.020 . 1 . . . . . . . . 5703 1 14 . 1 1 2 2 G H1' H 1 5.905 0.001 . 1 . . . . . . . . 5703 1 15 . 1 1 2 2 G H2' H 1 4.560 0.001 . 1 . . . . . . . . 5703 1 16 . 1 1 2 2 G H3' H 1 5.540 0.005 . 1 . . . . . . . . 5703 1 17 . 1 1 2 2 G H4' H 1 4.560 0.004 . 1 . . . . . . . . 5703 1 18 . 1 1 2 2 G H5' H 1 4.510 0.007 . 1 . . . . . . . . 5703 1 19 . 1 1 2 2 G H5'' H 1 4.230 0.005 . 1 . . . . . . . . 5703 1 20 . 1 1 2 2 G C1' C 13 92.20 0.030 . 1 . . . . . . . . 5703 1 21 . 1 1 3 3 U H3 H 1 14.43 0.015 . 1 . . . . . . . . 5703 1 22 . 1 1 3 3 U H5 H 1 5.130 0.001 . 1 . . . . . . . . 5703 1 23 . 1 1 3 3 U H6 H 1 7.808 0.001 . 1 . . . . . . . . 5703 1 24 . 1 1 3 3 U C5 C 13 102.1 0.040 . 1 . . . . . . . . 5703 1 25 . 1 1 3 3 U C6 C 13 140.8 0.030 . 1 . . . . . . . . 5703 1 26 . 1 1 3 3 U H1' H 1 5.955 0.001 . 1 . . . . . . . . 5703 1 27 . 1 1 3 3 U H2' H 1 4.502 0.001 . 1 . . . . . . . . 5703 1 28 . 1 1 3 3 U H3' H 1 4.540 0.020 . 1 . . . . . . . . 5703 1 29 . 1 1 3 3 U H4' H 1 4.450 0.005 . 1 . . . . . . . . 5703 1 30 . 1 1 3 3 U H5' H 1 4.59 0.004 . 1 . . . . . . . . 5703 1 31 . 1 1 3 3 U H5'' H 1 4.15 0.015 . 1 . . . . . . . . 5703 1 32 . 1 1 3 3 U C1' C 13 93.00 0.050 . 1 . . . . . . . . 5703 1 33 . 1 1 4 4 U H3 H 1 13.79 0.010 . 1 . . . . . . . . 5703 1 34 . 1 1 4 4 U H5 H 1 5.63 0.001 . 1 . . . . . . . . 5703 1 35 . 1 1 4 4 U H6 H 1 8.03 0.001 . 1 . . . . . . . . 5703 1 36 . 1 1 4 4 U C5 C 13 102.60 0.020 . 1 . . . . . . . . 5703 1 37 . 1 1 4 4 U C6 C 13 141.61 0.030 . 1 . . . . . . . . 5703 1 38 . 1 1 4 4 U H1' H 1 5.682 0.001 . 1 . . . . . . . . 5703 1 39 . 1 1 4 4 U H2' H 1 4.531 0.001 . 1 . . . . . . . . 5703 1 40 . 1 1 4 4 U H3' H 1 4.526 0.001 . 1 . . . . . . . . 5703 1 41 . 1 1 4 4 U H4' H 1 4.507 0.001 . 1 . . . . . . . . 5703 1 42 . 1 1 4 4 U H5' H 1 4.554 0.003 . 1 . . . . . . . . 5703 1 43 . 1 1 4 4 U H5'' H 1 4.141 0.003 . 1 . . . . . . . . 5703 1 44 . 1 1 4 4 U C1' C 13 92.97 0.020 . 1 . . . . . . . . 5703 1 45 . 1 1 5 5 C H41 H 1 8.44 0.010 . 1 . . . . . . . . 5703 1 46 . 1 1 5 5 C H42 H 1 7.13 0.010 . 1 . . . . . . . . 5703 1 47 . 1 1 5 5 C H5 H 1 5.658 0.005 . 1 . . . . . . . . 5703 1 48 . 1 1 5 5 C H6 H 1 7.746 0.003 . 1 . . . . . . . . 5703 1 49 . 1 1 5 5 C C5 C 13 97.20 0.020 . 1 . . . . . . . . 5703 1 50 . 1 1 5 5 C C6 C 13 140.92 0.020 . 1 . . . . . . . . 5703 1 51 . 1 1 5 5 C H1' H 1 5.467 0.001 . 1 . . . . . . . . 5703 1 52 . 1 1 5 5 C H2' H 1 4.411 0.010 . 1 . . . . . . . . 5703 1 53 . 1 1 5 5 C H3' H 1 4.47 0.001 . 1 . . . . . . . . 5703 1 54 . 1 1 5 5 C H4' H 1 4.46 0.001 . 1 . . . . . . . . 5703 1 55 . 1 1 5 5 C H5' H 1 4.55 0.015 . 1 . . . . . . . . 5703 1 56 . 1 1 5 5 C H5'' H 1 4.12 0.010 . 1 . . . . . . . . 5703 1 57 . 1 1 5 5 C C1' C 13 93.26 0.030 . 1 . . . . . . . . 5703 1 58 . 1 1 6 6 C H5 H 1 5.784 0.005 . 1 . . . . . . . . 5703 1 59 . 1 1 6 6 C H6 H 1 7.987 0.004 . 1 . . . . . . . . 5703 1 60 . 1 1 6 6 C C5 C 13 96.87 0.020 . 1 . . . . . . . . 5703 1 61 . 1 1 6 6 C C6 C 13 141.61 0.020 . 1 . . . . . . . . 5703 1 62 . 1 1 6 6 C H1' H 1 5.545 0.003 . 1 . . . . . . . . 5703 1 63 . 1 1 6 6 C H2' H 1 4.023 0.003 . 1 . . . . . . . . 5703 1 64 . 1 1 6 6 C H3' H 1 4.58 0.003 . 1 . . . . . . . . 5703 1 65 . 1 1 6 6 C H4' H 1 4.34 0.001 . 1 . . . . . . . . 5703 1 66 . 1 1 6 6 C H5' H 1 4.55 0.003 . 1 . . . . . . . . 5703 1 67 . 1 1 6 6 C C1' C 13 93.13 0.030 . 1 . . . . . . . . 5703 1 68 . 1 1 7 7 C H41 H 1 8.45 0.010 . 1 . . . . . . . . 5703 1 69 . 1 1 7 7 C H42 H 1 7.16 0.010 . 1 . . . . . . . . 5703 1 70 . 1 1 7 7 C H5 H 1 5.647 0.003 . 1 . . . . . . . . 5703 1 71 . 1 1 7 7 C H6 H 1 7.929 0.001 . 1 . . . . . . . . 5703 1 72 . 1 1 7 7 C C5 C 13 96.80 0.030 . 1 . . . . . . . . 5703 1 73 . 1 1 7 7 C C6 C 13 140.91 0.020 . 1 . . . . . . . . 5703 1 74 . 1 1 7 7 C H1' H 1 5.468 0.002 . 1 . . . . . . . . 5703 1 75 . 1 1 7 7 C H2' H 1 4.214 0.001 . 1 . . . . . . . . 5703 1 76 . 1 1 7 7 C H3' H 1 4.480 0.002 . 1 . . . . . . . . 5703 1 77 . 1 1 7 7 C H4' H 1 4.392 0.005 . 1 . . . . . . . . 5703 1 78 . 1 1 7 7 C H5' H 1 4.450 0.003 . 1 . . . . . . . . 5703 1 79 . 1 1 7 7 C C1' C 13 93.03 0.040 . 1 . . . . . . . . 5703 1 80 . 1 1 8 8 C H41 H 1 8.40 0.010 . 1 . . . . . . . . 5703 1 81 . 1 1 8 8 C H42 H 1 6.98 0.010 . 1 . . . . . . . . 5703 1 82 . 1 1 8 8 C H5 H 1 5.468 0.003 . 1 . . . . . . . . 5703 1 83 . 1 1 8 8 C H6 H 1 7.738 0.002 . 1 . . . . . . . . 5703 1 84 . 1 1 8 8 C C5 C 13 97.18 0.020 . 1 . . . . . . . . 5703 1 85 . 1 1 8 8 C C6 C 13 140.74 0.020 . 1 . . . . . . . . 5703 1 86 . 1 1 8 8 C H1' H 1 5.385 0.003 . 1 . . . . . . . . 5703 1 87 . 1 1 8 8 C H2' H 1 4.244 0.002 . 1 . . . . . . . . 5703 1 88 . 1 1 8 8 C H3' H 1 4.315 0.005 . 1 . . . . . . . . 5703 1 89 . 1 1 8 8 C H4' H 1 4.350 0.007 . 1 . . . . . . . . 5703 1 90 . 1 1 8 8 C H5' H 1 4.480 0.003 . 1 . . . . . . . . 5703 1 91 . 1 1 8 8 C H5'' H 1 4.0 0.010 . 1 . . . . . . . . 5703 1 92 . 1 1 8 8 C C1' C 13 93.3 0.020 . 1 . . . . . . . . 5703 1 93 . 1 1 9 9 U H5 H 1 5.213 0.003 . 1 . . . . . . . . 5703 1 94 . 1 1 9 9 U H6 H 1 7.596 0.004 . 1 . . . . . . . . 5703 1 95 . 1 1 9 9 U C5 C 13 103.30 0.020 . 1 . . . . . . . . 5703 1 96 . 1 1 9 9 U C6 C 13 140.183 0.020 . 1 . . . . . . . . 5703 1 97 . 1 1 9 9 U H1' H 1 5.605 0.003 . 1 . . . . . . . . 5703 1 98 . 1 1 9 9 U H2' H 1 4.45 0.004 . 1 . . . . . . . . 5703 1 99 . 1 1 9 9 U H3' H 1 4.350 0.004 . 1 . . . . . . . . 5703 1 100 . 1 1 9 9 U H4' H 1 4.45 0.005 . 1 . . . . . . . . 5703 1 101 . 1 1 9 9 U H5' H 1 4.490 0.005 . 1 . . . . . . . . 5703 1 102 . 1 1 9 9 U C1' C 13 92.78 0.020 . 1 . . . . . . . . 5703 1 103 . 1 1 10 10 G H1 H 1 10.88 0.010 . 1 . . . . . . . . 5703 1 104 . 1 1 10 10 G H21 H 1 8.16 0.004 . 1 . . . . . . . . 5703 1 105 . 1 1 10 10 G H22 H 1 7.13 0.005 . 1 . . . . . . . . 5703 1 106 . 1 1 10 10 G H8 H 1 7.735 0.007 . 1 . . . . . . . . 5703 1 107 . 1 1 10 10 G C8 C 13 136.33 0.020 . 1 . . . . . . . . 5703 1 108 . 1 1 10 10 G H1' H 1 5.603 0.003 . 1 . . . . . . . . 5703 1 109 . 1 1 10 10 G H2' H 1 4.471 0.002 . 1 . . . . . . . . 5703 1 110 . 1 1 10 10 G H3' H 1 4.528 0.003 . 1 . . . . . . . . 5703 1 111 . 1 1 10 10 G H4' H 1 4.379 0.005 . 1 . . . . . . . . 5703 1 112 . 1 1 10 10 G H5' H 1 4.331 0.007 . 1 . . . . . . . . 5703 1 113 . 1 1 10 10 G C1' C 13 91.53 0.020 . 1 . . . . . . . . 5703 1 114 . 1 1 11 11 C H5 H 1 5.585 0.001 . 1 . . . . . . . . 5703 1 115 . 1 1 11 11 C H6 H 1 7.52 0.003 . 1 . . . . . . . . 5703 1 116 . 1 1 11 11 C C5 C 13 97.46 0.005 . 1 . . . . . . . . 5703 1 117 . 1 1 11 11 C C6 C 13 141.81 0.007 . 1 . . . . . . . . 5703 1 118 . 1 1 11 11 C H1' H 1 5.322 0.005 . 1 . . . . . . . . 5703 1 119 . 1 1 11 11 C H2' H 1 3.936 0.003 . 1 . . . . . . . . 5703 1 120 . 1 1 11 11 C H3' H 1 4.25 0.004 . 1 . . . . . . . . 5703 1 121 . 1 1 11 11 C H4' H 1 3.87 0.006 . 1 . . . . . . . . 5703 1 122 . 1 1 11 11 C H5' H 1 4.05 0.005 . 1 . . . . . . . . 5703 1 123 . 1 1 11 11 C C1' C 13 91.423 0.020 . 1 . . . . . . . . 5703 1 124 . 1 1 12 12 A H2 H 1 7.99 0.004 . 1 . . . . . . . . 5703 1 125 . 1 1 12 12 A H61 H 1 7.91 0.010 . 1 . . . . . . . . 5703 1 126 . 1 1 12 12 A H62 H 1 6.63 0.010 . 1 . . . . . . . . 5703 1 127 . 1 1 12 12 A H8 H 1 8.161 0.011 . 1 . . . . . . . . 5703 1 128 . 1 1 12 12 A C2 C 13 154.37 0.040 . 1 . . . . . . . . 5703 1 129 . 1 1 12 12 A C8 C 13 141.20 0.020 . 1 . . . . . . . . 5703 1 130 . 1 1 12 12 A H1' H 1 5.922 0.006 . 1 . . . . . . . . 5703 1 131 . 1 1 12 12 A H2' H 1 4.637 0.004 . 1 . . . . . . . . 5703 1 132 . 1 1 12 12 A H3' H 1 4.701 0.004 . 1 . . . . . . . . 5703 1 133 . 1 1 12 12 A H4' H 1 4.40 0.003 . 1 . . . . . . . . 5703 1 134 . 1 1 12 12 A H5' H 1 4.070 0.006 . 1 . . . . . . . . 5703 1 135 . 1 1 12 12 A C1' C 13 88.85 0.020 . 1 . . . . . . . . 5703 1 136 . 1 1 13 13 U H5 H 1 5.84 0.005 . 1 . . . . . . . . 5703 1 137 . 1 1 13 13 U H6 H 1 7.788 0.003 . 1 . . . . . . . . 5703 1 138 . 1 1 13 13 U C5 C 13 104.52 0.020 . 1 . . . . . . . . 5703 1 139 . 1 1 13 13 U C6 C 13 143.062 0.020 . 1 . . . . . . . . 5703 1 140 . 1 1 13 13 U H1' H 1 5.904 0.004 . 1 . . . . . . . . 5703 1 141 . 1 1 13 13 U H2' H 1 4.43 0.002 . 1 . . . . . . . . 5703 1 142 . 1 1 13 13 U H3' H 1 4.70 0.005 . 1 . . . . . . . . 5703 1 143 . 1 1 13 13 U H4' H 1 4.45 0.003 . 1 . . . . . . . . 5703 1 144 . 1 1 13 13 U H5' H 1 4.221 0.006 . 1 . . . . . . . . 5703 1 145 . 1 1 13 13 U C1' C 13 90.10 0.020 . 1 . . . . . . . . 5703 1 146 . 1 1 14 14 A H2 H 1 8.076 0.005 . 1 . . . . . . . . 5703 1 147 . 1 1 14 14 A H61 H 1 8.44 0.004 . 1 . . . . . . . . 5703 1 148 . 1 1 14 14 A H62 H 1 6.84 0.003 . 1 . . . . . . . . 5703 1 149 . 1 1 14 14 A H8 H 1 7.99 0.002 . 1 . . . . . . . . 5703 1 150 . 1 1 14 14 A C2 C 13 154.50 0.020 . 1 . . . . . . . . 5703 1 151 . 1 1 14 14 A C8 C 13 139.50 0.020 . 1 . . . . . . . . 5703 1 152 . 1 1 14 14 A H1' H 1 5.884 0.003 . 1 . . . . . . . . 5703 1 153 . 1 1 14 14 A H2' H 1 4.884 0.005 . 1 . . . . . . . . 5703 1 154 . 1 1 14 14 A H3' H 1 4.590 0.004 . 1 . . . . . . . . 5703 1 155 . 1 1 14 14 A H4' H 1 4.620 0.004 . 1 . . . . . . . . 5703 1 156 . 1 1 14 14 A H5' H 1 4.360 0.005 . 1 . . . . . . . . 5703 1 157 . 1 1 14 14 A C1' C 13 90.47 0.004 . 1 . . . . . . . . 5703 1 158 . 1 1 15 15 A H2 H 1 7.59 0.002 . 1 . . . . . . . . 5703 1 159 . 1 1 15 15 A H61 H 1 7.76 0.004 . 1 . . . . . . . . 5703 1 160 . 1 1 15 15 A H62 H 1 6.63 0.007 . 1 . . . . . . . . 5703 1 161 . 1 1 15 15 A H8 H 1 7.97 0.005 . 1 . . . . . . . . 5703 1 162 . 1 1 15 15 A C2 C 13 152.56 0.020 . 1 . . . . . . . . 5703 1 163 . 1 1 15 15 A C8 C 13 140.65 0.020 . 1 . . . . . . . . 5703 1 164 . 1 1 15 15 A H1' H 1 5.323 0.003 . 1 . . . . . . . . 5703 1 165 . 1 1 15 15 A H2' H 1 4.646 0.004 . 1 . . . . . . . . 5703 1 166 . 1 1 15 15 A H3' H 1 4.475 0.003 . 1 . . . . . . . . 5703 1 167 . 1 1 15 15 A H4' H 1 4.471 0.002 . 1 . . . . . . . . 5703 1 168 . 1 1 15 15 A H5' H 1 4.371 0.004 . 1 . . . . . . . . 5703 1 169 . 1 1 15 15 A C1' C 13 91.65 0.020 . 1 . . . . . . . . 5703 1 170 . 1 1 16 16 G H1 H 1 12.75 0.010 . 1 . . . . . . . . 5703 1 171 . 1 1 16 16 G H21 H 1 8.2 0.010 . 1 . . . . . . . . 5703 1 172 . 1 1 16 16 G H22 H 1 5.94 0.009 . 1 . . . . . . . . 5703 1 173 . 1 1 16 16 G H8 H 1 7.10 0.005 . 1 . . . . . . . . 5703 1 174 . 1 1 16 16 G C8 C 13 135.21 0.030 . 1 . . . . . . . . 5703 1 175 . 1 1 16 16 G H1' H 1 5.597 0.004 . 1 . . . . . . . . 5703 1 176 . 1 1 16 16 G H2' H 1 4.582 0.006 . 1 . . . . . . . . 5703 1 177 . 1 1 16 16 G H3' H 1 4.506 0.003 . 1 . . . . . . . . 5703 1 178 . 1 1 16 16 G H4' H 1 4.400 0.013 . 1 . . . . . . . . 5703 1 179 . 1 1 16 16 G H5' H 1 4.367 0.008 . 1 . . . . . . . . 5703 1 180 . 1 1 16 16 G C1' C 13 92.00 0.040 . 1 . . . . . . . . 5703 1 181 . 1 1 17 17 G H1 H 1 12.67 0.010 . 1 . . . . . . . . 5703 1 182 . 1 1 17 17 G H21 H 1 8.44 0.010 . 1 . . . . . . . . 5703 1 183 . 1 1 17 17 G H22 H 1 6.7 0.010 . 1 . . . . . . . . 5703 1 184 . 1 1 17 17 G H8 H 1 7.151 0.009 . 1 . . . . . . . . 5703 1 185 . 1 1 17 17 G C8 C 13 135.65 0.030 . 1 . . . . . . . . 5703 1 186 . 1 1 17 17 G H1' H 1 5.717 0.003 . 1 . . . . . . . . 5703 1 187 . 1 1 17 17 G H2' H 1 4.480 0.005 . 1 . . . . . . . . 5703 1 188 . 1 1 17 17 G H3' H 1 4.512 0.003 . 1 . . . . . . . . 5703 1 189 . 1 1 17 17 G H4' H 1 4.110 0.004 . 1 . . . . . . . . 5703 1 190 . 1 1 17 17 G H5' H 1 4.480 0.006 . 1 . . . . . . . . 5703 1 191 . 1 1 17 17 G C1' C 13 92.04 0.020 . 1 . . . . . . . . 5703 1 192 . 1 1 18 18 A H2 H 1 7.796 0.007 . 1 . . . . . . . . 5703 1 193 . 1 1 18 18 A H8 H 1 7.934 0.005 . 1 . . . . . . . . 5703 1 194 . 1 1 18 18 A C2 C 13 153.25 0.030 . 1 . . . . . . . . 5703 1 195 . 1 1 18 18 A C8 C 13 139.4 0.020 . 1 . . . . . . . . 5703 1 196 . 1 1 18 18 A H1' H 1 6.050 0.005 . 1 . . . . . . . . 5703 1 197 . 1 1 18 18 A H2' H 1 4.519 0.003 . 1 . . . . . . . . 5703 1 198 . 1 1 18 18 A H3' H 1 4.839 0.001 . 1 . . . . . . . . 5703 1 199 . 1 1 18 18 A H4' H 1 4.470 0.003 . 1 . . . . . . . . 5703 1 200 . 1 1 18 18 A H5' H 1 4.402 0.004 . 1 . . . . . . . . 5703 1 201 . 1 1 18 18 A C1' C 13 90.96 0.030 . 1 . . . . . . . . 5703 1 202 . 1 1 19 19 SSU H5 H 1 5.639 0.003 . 1 . . . . . . . . 5703 1 203 . 1 1 19 19 SSU H6 H 1 7.781 0.002 . 1 . . . . . . . . 5703 1 204 . 1 1 19 19 SSU C5 C 13 102.9 0.030 . 1 . . . . . . . . 5703 1 205 . 1 1 19 19 SSU C6 C 13 140.80 0.020 . 1 . . . . . . . . 5703 1 206 . 1 1 19 19 SSU H1' H 1 5.639 0.003 . 1 . . . . . . . . 5703 1 207 . 1 1 19 19 SSU H2' H 1 4.302 0.006 . 1 . . . . . . . . 5703 1 208 . 1 1 19 19 SSU H3' H 1 4.39 0.005 . 1 . . . . . . . . 5703 1 209 . 1 1 19 19 SSU H4' H 1 4.35 0.008 . 1 . . . . . . . . 5703 1 210 . 1 1 19 19 SSU C1' C 13 91.81 0.030 . 1 . . . . . . . . 5703 1 211 . 1 1 19 19 SSU P P 31 59.15 0.020 . 1 . . . . . . . . 5703 1 212 . 1 1 20 20 G H1 H 1 12.53 0.010 . 1 . . . . . . . . 5703 1 213 . 1 1 20 20 G H21 H 1 7.913 0.012 . 1 . . . . . . . . 5703 1 214 . 1 1 20 20 G H22 H 1 5.927 0.008 . 1 . . . . . . . . 5703 1 215 . 1 1 20 20 G H8 H 1 7.555 0.007 . 1 . . . . . . . . 5703 1 216 . 1 1 20 20 G C8 C 13 136.55 0.030 . 1 . . . . . . . . 5703 1 217 . 1 1 20 20 G H1' H 1 5.719 0.006 . 1 . . . . . . . . 5703 1 218 . 1 1 20 20 G H2' H 1 4.77 0.003 . 1 . . . . . . . . 5703 1 219 . 1 1 20 20 G H3' H 1 4.609 0.005 . 1 . . . . . . . . 5703 1 220 . 1 1 20 20 G H4' H 1 4.451 0.010 . 1 . . . . . . . . 5703 1 221 . 1 1 20 20 G C1' C 13 90.17 0.020 . 1 . . . . . . . . 5703 1 222 . 1 1 21 21 A H2 H 1 7.147 0.005 . 1 . . . . . . . . 5703 1 223 . 1 1 21 21 A H61 H 1 8.06 0.001 . 1 . . . . . . . . 5703 1 224 . 1 1 21 21 A H62 H 1 6.58 0.003 . 1 . . . . . . . . 5703 1 225 . 1 1 21 21 A H8 H 1 7.858 0.002 . 1 . . . . . . . . 5703 1 226 . 1 1 21 21 A C2 C 13 153.17 0.030 . 1 . . . . . . . . 5703 1 227 . 1 1 21 21 A C8 C 13 139.4 0.025 . 1 . . . . . . . . 5703 1 228 . 1 1 21 21 A H1' H 1 5.943 0.002 . 1 . . . . . . . . 5703 1 229 . 1 1 21 21 A H2' H 1 4.640 0.003 . 1 . . . . . . . . 5703 1 230 . 1 1 21 21 A H3' H 1 4.596 0.005 . 1 . . . . . . . . 5703 1 231 . 1 1 21 21 A H4' H 1 5.29 0.003 . 1 . . . . . . . . 5703 1 232 . 1 1 21 21 A H5' H 1 4.480 0.007 . 1 . . . . . . . . 5703 1 233 . 1 1 21 21 A H5'' H 1 4.315 0.006 . 1 . . . . . . . . 5703 1 234 . 1 1 21 21 A C1' C 13 92.30 0.030 . 1 . . . . . . . . 5703 1 235 . 1 1 22 22 A H2 H 1 7.806 0.004 . 1 . . . . . . . . 5703 1 236 . 1 1 22 22 A H61 H 1 8.31 0.010 . 1 . . . . . . . . 5703 1 237 . 1 1 22 22 A H62 H 1 6.73 0.010 . 1 . . . . . . . . 5703 1 238 . 1 1 22 22 A H8 H 1 7.815 0.003 . 1 . . . . . . . . 5703 1 239 . 1 1 22 22 A C2 C 13 153.20 0.050 . 1 . . . . . . . . 5703 1 240 . 1 1 22 22 A C8 C 13 138.3 0.050 . 1 . . . . . . . . 5703 1 241 . 1 1 22 22 A H1' H 1 5.943 0.003 . 1 . . . . . . . . 5703 1 242 . 1 1 22 22 A H2' H 1 4.501 0.006 . 1 . . . . . . . . 5703 1 243 . 1 1 22 22 A H3' H 1 4.603 0.005 . 1 . . . . . . . . 5703 1 244 . 1 1 22 22 A H4' H 1 4.599 0.004 . 1 . . . . . . . . 5703 1 245 . 1 1 22 22 A H5' H 1 4.602 0.007 . 1 . . . . . . . . 5703 1 246 . 1 1 22 22 A H5'' H 1 4.135 0.004 . 1 . . . . . . . . 5703 1 247 . 1 1 22 22 A C1' C 13 92.20 0.020 . 1 . . . . . . . . 5703 1 248 . 1 1 23 23 C H41 H 1 8.39 0.010 . 1 . . . . . . . . 5703 1 249 . 1 1 23 23 C H42 H 1 7.05 0.012 . 1 . . . . . . . . 5703 1 250 . 1 1 23 23 C H5 H 1 5.165 0.004 . 1 . . . . . . . . 5703 1 251 . 1 1 23 23 C H6 H 1 7.436 0.006 . 1 . . . . . . . . 5703 1 252 . 1 1 23 23 C C5 C 13 96.30 0.030 . 1 . . . . . . . . 5703 1 253 . 1 1 23 23 C C6 C 13 139.93 0.040 . 1 . . . . . . . . 5703 1 254 . 1 1 23 23 C H1' H 1 5.385 0.004 . 1 . . . . . . . . 5703 1 255 . 1 1 23 23 C H2' H 1 4.118 0.003 . 1 . . . . . . . . 5703 1 256 . 1 1 23 23 C H3' H 1 4.357 0.003 . 1 . . . . . . . . 5703 1 257 . 1 1 23 23 C H4' H 1 4.480 0.004 . 1 . . . . . . . . 5703 1 258 . 1 1 23 23 C H5' H 1 4.045 0.009 . 1 . . . . . . . . 5703 1 259 . 1 1 23 23 C H5'' H 1 4.012 0.010 . 1 . . . . . . . . 5703 1 260 . 1 1 23 23 C C1' C 13 93.20 0.040 . 1 . . . . . . . . 5703 1 261 . 1 1 24 24 C H41 H 1 8.44 0.009 . 1 . . . . . . . . 5703 1 262 . 1 1 24 24 C H42 H 1 6.97 0.011 . 1 . . . . . . . . 5703 1 263 . 1 1 24 24 C H5 H 1 5.437 0.003 . 1 . . . . . . . . 5703 1 264 . 1 1 24 24 C H6 H 1 7.635 0.002 . 1 . . . . . . . . 5703 1 265 . 1 1 24 24 C C5 C 13 97.46 0.030 . 1 . . . . . . . . 5703 1 266 . 1 1 24 24 C C6 C 13 141.07 0.020 . 1 . . . . . . . . 5703 1 267 . 1 1 24 24 C H1' H 1 5.75 0.008 . 1 . . . . . . . . 5703 1 268 . 1 1 24 24 C H2' H 1 4.147 0.007 . 1 . . . . . . . . 5703 1 269 . 1 1 24 24 C H3' H 1 4.170 0.010 . 1 . . . . . . . . 5703 1 270 . 1 1 24 24 C H4' H 1 4.153 0.009 . 1 . . . . . . . . 5703 1 271 . 1 1 24 24 C C1' C 13 91.98 0.030 . 1 . . . . . . . . 5703 1 stop_ save_