################################### # 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 7098 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_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 . 7098 1 . . 2 $sample_2 . 7098 1 . . 3 $sample_3 . 7098 1 . . 4 $sample_4 . 7098 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 5.74 0.005 . 1 . . . . . . . . 7098 1 2 . 1 1 1 1 G H2' H 1 4.88 0.005 . 1 . . . . . . . . 7098 1 3 . 1 1 1 1 G H3' H 1 4.79 0.005 . 1 . . . . . . . . 7098 1 4 . 1 1 1 1 G H4' H 1 4.55 0.005 . 1 . . . . . . . . 7098 1 5 . 1 1 1 1 G H5'' H 1 4.42 0.005 . 1 . . . . . . . . 7098 1 6 . 1 1 1 1 G H5' H 1 4.27 0.005 . 1 . . . . . . . . 7098 1 7 . 1 1 1 1 G H8 H 1 8.13 0.005 . 1 . . . . . . . . 7098 1 8 . 1 1 1 1 G C1' C 13 91.3 0.1 . 1 . . . . . . . . 7098 1 9 . 1 1 1 1 G C2' C 13 74.9 0.1 . 1 . . . . . . . . 7098 1 10 . 1 1 1 1 G C4' C 13 83.5 0.1 . 1 . . . . . . . . 7098 1 11 . 1 1 1 1 G C8 C 13 139.3 0.1 . 1 . . . . . . . . 7098 1 12 . 1 1 2 2 A H1' H 1 6.11 0.005 . 1 . . . . . . . . 7098 1 13 . 1 1 2 2 A H2 H 1 7.93 0.005 . 1 . . . . . . . . 7098 1 14 . 1 1 2 2 A H2' H 1 4.59 0.005 . 1 . . . . . . . . 7098 1 15 . 1 1 2 2 A H3' H 1 4.70 0.005 . 1 . . . . . . . . 7098 1 16 . 1 1 2 2 A H8 H 1 8.20 0.005 . 1 . . . . . . . . 7098 1 17 . 1 1 2 2 A C1' C 13 92.8 0.1 . 1 . . . . . . . . 7098 1 18 . 1 1 2 2 A C2 C 13 154.1 0.1 . 1 . . . . . . . . 7098 1 19 . 1 1 2 2 A C2' C 13 75.5 0.1 . 1 . . . . . . . . 7098 1 20 . 1 1 2 2 A C3' C 13 72.9 0.1 . 1 . . . . . . . . 7098 1 21 . 1 1 2 2 A C8 C 13 140.2 0.1 . 1 . . . . . . . . 7098 1 22 . 1 1 3 3 C H1' H 1 5.48 0.005 . 1 . . . . . . . . 7098 1 23 . 1 1 3 3 C H5 H 1 5.24 0.005 . 1 . . . . . . . . 7098 1 24 . 1 1 3 3 C H2' H 1 4.44 0.005 . 1 . . . . . . . . 7098 1 25 . 1 1 3 3 C H3' H 1 4.45 0.005 . 1 . . . . . . . . 7098 1 26 . 1 1 3 3 C H6 H 1 7.52 0.005 . 1 . . . . . . . . 7098 1 27 . 1 1 3 3 C C1' C 13 93.1 0.1 . 1 . . . . . . . . 7098 1 28 . 1 1 3 3 C C5 C 13 97.5 0.1 . 1 . . . . . . . . 7098 1 29 . 1 1 3 3 C C2' C 13 75.6 0.1 . 1 . . . . . . . . 7098 1 30 . 1 1 3 3 C C6 C 13 140.1 0.1 . 1 . . . . . . . . 7098 1 31 . 1 1 4 4 G H1' H 1 5.76 0.005 . 1 . . . . . . . . 7098 1 32 . 1 1 4 4 G H2' H 1 4.76 0.005 . 1 . . . . . . . . 7098 1 33 . 1 1 4 4 G H8 H 1 7.45 0.005 . 1 . . . . . . . . 7098 1 34 . 1 1 4 4 G C1' C 13 93.0 0.1 . 1 . . . . . . . . 7098 1 35 . 1 1 4 4 G C8 C 13 136.1 0.1 . 1 . . . . . . . . 7098 1 36 . 1 1 5 5 G H1' H 1 5.72 0.005 . 1 . . . . . . . . 7098 1 37 . 1 1 5 5 G H2' H 1 4.52 0.005 . 1 . . . . . . . . 7098 1 38 . 1 1 5 5 G H8 H 1 7.42 0.005 . 1 . . . . . . . . 7098 1 39 . 1 1 5 5 G C1' C 13 93.0 0.1 . 1 . . . . . . . . 7098 1 40 . 1 1 6 6 C H1' H 1 5.46 0.005 . 1 . . . . . . . . 7098 1 41 . 1 1 6 6 C H5 H 1 5.32 0.005 . 1 . . . . . . . . 7098 1 42 . 1 1 6 6 C H2' H 1 4.29 0.005 . 1 . . . . . . . . 7098 1 43 . 1 1 6 6 C H6 H 1 7.58 0.005 . 1 . . . . . . . . 7098 1 44 . 1 1 6 6 C C1' C 13 94.3 0.1 . 1 . . . . . . . . 7098 1 45 . 1 1 6 6 C C5 C 13 97.4 0.1 . 1 . . . . . . . . 7098 1 46 . 1 1 6 6 C C2' C 13 75.2 0.1 . 1 . . . . . . . . 7098 1 47 . 1 1 6 6 C C6 C 13 140.9 0.1 . 1 . . . . . . . . 7098 1 48 . 1 1 7 7 U H1' H 1 5.47 0.005 . 1 . . . . . . . . 7098 1 49 . 1 1 7 7 U H5 H 1 5.40 0.005 . 1 . . . . . . . . 7098 1 50 . 1 1 7 7 U H2' H 1 4.41 0.005 . 1 . . . . . . . . 7098 1 51 . 1 1 7 7 U H6 H 1 7.92 0.005 . 1 . . . . . . . . 7098 1 52 . 1 1 7 7 U C1' C 13 93.7 0.1 . 1 . . . . . . . . 7098 1 53 . 1 1 7 7 U C5 C 13 103.0 0.1 . 1 . . . . . . . . 7098 1 54 . 1 1 7 7 U C2' C 13 75.1 0.1 . 1 . . . . . . . . 7098 1 55 . 1 1 7 7 U C6 C 13 142.2 0.1 . 1 . . . . . . . . 7098 1 56 . 1 1 7 7 U H3 H 1 14.14 0.005 . 1 . . . . . . . . 7098 1 57 . 1 1 7 7 U N3 N 15 163.2 0.1 . 1 . . . . . . . . 7098 1 58 . 1 1 8 8 U H1' H 1 5.59 0.005 . 1 . . . . . . . . 7098 1 59 . 1 1 8 8 U H5 H 1 5.56 0.005 . 1 . . . . . . . . 7098 1 60 . 1 1 8 8 U H2' H 1 4.50 0.005 . 1 . . . . . . . . 7098 1 61 . 1 1 8 8 U H3' H 1 4.59 0.005 . 1 . . . . . . . . 7098 1 62 . 1 1 8 8 U H6 H 1 7.94 0.005 . 1 . . . . . . . . 7098 1 63 . 1 1 8 8 U C1' C 13 93.1 0.1 . 1 . . . . . . . . 7098 1 64 . 1 1 8 8 U C5 C 13 103.7 0.1 . 1 . . . . . . . . 7098 1 65 . 1 1 8 8 U C2' C 13 75.2 0.1 . 1 . . . . . . . . 7098 1 66 . 1 1 8 8 U C3' C 13 72.6 0.1 . 1 . . . . . . . . 7098 1 67 . 1 1 8 8 U C6 C 13 142.1 0.1 . 1 . . . . . . . . 7098 1 68 . 1 1 8 8 U H3 H 1 13.09 0.005 . 1 . . . . . . . . 7098 1 69 . 1 1 8 8 U N3 N 15 162.9 0.1 . 1 . . . . . . . . 7098 1 70 . 1 1 9 9 G H1' H 1 5.74 0.005 . 1 . . . . . . . . 7098 1 71 . 1 1 9 9 G H2' H 1 4.46 0.005 . 1 . . . . . . . . 7098 1 72 . 1 1 9 9 G H3' H 1 4.54 0.005 . 1 . . . . . . . . 7098 1 73 . 1 1 9 9 G H8 H 1 7.74 0.005 . 1 . . . . . . . . 7098 1 74 . 1 1 9 9 G C1' C 13 92.5 0.1 . 1 . . . . . . . . 7098 1 75 . 1 1 9 9 G C3' C 13 72.9 0.1 . 1 . . . . . . . . 7098 1 76 . 1 1 9 9 G C8 C 13 136.3 0.1 . 1 . . . . . . . . 7098 1 77 . 1 1 9 9 G H1 H 1 12.42 0.005 . 1 . . . . . . . . 7098 1 78 . 1 1 9 9 G N1 N 15 148.2 0.1 . 1 . . . . . . . . 7098 1 79 . 1 1 10 10 C H1' H 1 5.43 0.005 . 1 . . . . . . . . 7098 1 80 . 1 1 10 10 C H5 H 1 5.12 0.005 . 1 . . . . . . . . 7098 1 81 . 1 1 10 10 C H2' H 1 4.54 0.005 . 1 . . . . . . . . 7098 1 82 . 1 1 10 10 C H3' H 1 4.25 0.005 . 1 . . . . . . . . 7098 1 83 . 1 1 10 10 C H6 H 1 7.52 0.005 . 1 . . . . . . . . 7098 1 84 . 1 1 10 10 C C1' C 13 93.6 0.1 . 1 . . . . . . . . 7098 1 85 . 1 1 10 10 C C5 C 13 97.0 0.1 . 1 . . . . . . . . 7098 1 86 . 1 1 10 10 C C3' C 13 72.0 0.1 . 1 . . . . . . . . 7098 1 87 . 1 1 10 10 C C6 C 13 140.6 0.1 . 1 . . . . . . . . 7098 1 88 . 1 1 11 11 U H1' H 1 5.58 0.005 . 1 . . . . . . . . 7098 1 89 . 1 1 11 11 U H5 H 1 5.63 0.005 . 1 . . . . . . . . 7098 1 90 . 1 1 11 11 U H2' H 1 4.19 0.005 . 1 . . . . . . . . 7098 1 91 . 1 1 11 11 U H4' H 1 4.37 0.005 . 1 . . . . . . . . 7098 1 92 . 1 1 11 11 U H6 H 1 7.70 0.005 . 1 . . . . . . . . 7098 1 93 . 1 1 11 11 U C1' C 13 94.4 0.1 . 1 . . . . . . . . 7098 1 94 . 1 1 11 11 U C5 C 13 105.0 0.1 . 1 . . . . . . . . 7098 1 95 . 1 1 11 11 U C2' C 13 75.5 0.1 . 1 . . . . . . . . 7098 1 96 . 1 1 11 11 U C4' C 13 82.7 0.1 . 1 . . . . . . . . 7098 1 97 . 1 1 11 11 U C6 C 13 141.0 0.1 . 1 . . . . . . . . 7098 1 98 . 1 1 11 11 U H3 H 1 11.62 0.005 . 1 . . . . . . . . 7098 1 99 . 1 1 11 11 U N3 N 15 159.1 0.1 . 1 . . . . . . . . 7098 1 100 . 1 1 12 12 G H1' H 1 5.65 0.005 . 1 . . . . . . . . 7098 1 101 . 1 1 12 12 G H2' H 1 4.30 0.005 . 1 . . . . . . . . 7098 1 102 . 1 1 12 12 G H3' H 1 4.70 0.005 . 1 . . . . . . . . 7098 1 103 . 1 1 12 12 G H4' H 1 4.40 0.005 . 1 . . . . . . . . 7098 1 104 . 1 1 12 12 G H5' H 1 4.10 0.005 . 1 . . . . . . . . 7098 1 105 . 1 1 12 12 G H8 H 1 7.81 0.005 . 1 . . . . . . . . 7098 1 106 . 1 1 12 12 G C1' C 13 90.9 0.1 . 1 . . . . . . . . 7098 1 107 . 1 1 12 12 G C2' C 13 76.3 0.1 . 1 . . . . . . . . 7098 1 108 . 1 1 12 12 G C4' C 13 83.8 0.1 . 1 . . . . . . . . 7098 1 109 . 1 1 12 12 G C8 C 13 137.7 0.1 . 1 . . . . . . . . 7098 1 110 . 1 1 13 13 A H1' H 1 5.92 0.005 . 1 . . . . . . . . 7098 1 111 . 1 1 13 13 A H2 H 1 7.95 0.005 . 1 . . . . . . . . 7098 1 112 . 1 1 13 13 A H2' H 1 4.63 0.005 . 1 . . . . . . . . 7098 1 113 . 1 1 13 13 A H3' H 1 4.74 0.005 . 1 . . . . . . . . 7098 1 114 . 1 1 13 13 A H4' H 1 4.51 0.005 . 1 . . . . . . . . 7098 1 115 . 1 1 13 13 A H5'' H 1 4.37 0.005 . 1 . . . . . . . . 7098 1 116 . 1 1 13 13 A H5' H 1 4.20 0.005 . 1 . . . . . . . . 7098 1 117 . 1 1 13 13 A H8 H 1 8.16 0.005 . 1 . . . . . . . . 7098 1 118 . 1 1 13 13 A C1' C 13 90.8 0.1 . 1 . . . . . . . . 7098 1 119 . 1 1 13 13 A C2 C 13 155.1 0.1 . 1 . . . . . . . . 7098 1 120 . 1 1 13 13 A C2' C 13 76.1 0.1 . 1 . . . . . . . . 7098 1 121 . 1 1 13 13 A C3' C 13 75.8 0.1 . 1 . . . . . . . . 7098 1 122 . 1 1 13 13 A C4' C 13 84.3 0.1 . 1 . . . . . . . . 7098 1 123 . 1 1 13 13 A C5' C 13 66.8 0.1 . 1 . . . . . . . . 7098 1 124 . 1 1 13 13 A C8 C 13 141.1 0.1 . 1 . . . . . . . . 7098 1 125 . 1 1 14 14 A H1' H 1 5.96 0.005 . 1 . . . . . . . . 7098 1 126 . 1 1 14 14 A H2 H 1 8.05 0.005 . 1 . . . . . . . . 7098 1 127 . 1 1 14 14 A H2' H 1 4.72 0.005 . 1 . . . . . . . . 7098 1 128 . 1 1 14 14 A H3' H 1 4.75 0.005 . 1 . . . . . . . . 7098 1 129 . 1 1 14 14 A H4' H 1 4.54 0.005 . 1 . . . . . . . . 7098 1 130 . 1 1 14 14 A H5'' H 1 4.36 0.005 . 1 . . . . . . . . 7098 1 131 . 1 1 14 14 A H5' H 1 4.23 0.005 . 1 . . . . . . . . 7098 1 132 . 1 1 14 14 A H8 H 1 8.22 0.005 . 1 . . . . . . . . 7098 1 133 . 1 1 14 14 A C1' C 13 90.5 0.1 . 1 . . . . . . . . 7098 1 134 . 1 1 14 14 A C2 C 13 155.0 0.1 . 1 . . . . . . . . 7098 1 135 . 1 1 14 14 A C2' C 13 76.1 0.1 . 1 . . . . . . . . 7098 1 136 . 1 1 14 14 A C4' C 13 84.6 0.1 . 1 . . . . . . . . 7098 1 137 . 1 1 14 14 A C5' C 13 67.2 0.1 . 1 . . . . . . . . 7098 1 138 . 1 1 14 14 A C8 C 13 141.3 0.1 . 1 . . . . . . . . 7098 1 139 . 1 1 15 15 G H1' H 1 5.57 0.005 . 1 . . . . . . . . 7098 1 140 . 1 1 15 15 G H2' H 1 4.59 0.005 . 1 . . . . . . . . 7098 1 141 . 1 1 15 15 G H3' H 1 4.47 0.005 . 1 . . . . . . . . 7098 1 142 . 1 1 15 15 G H4' H 1 4.47 0.005 . 1 . . . . . . . . 7098 1 143 . 1 1 15 15 G H8 H 1 7.52 0.005 . 1 . . . . . . . . 7098 1 144 . 1 1 15 15 G C1' C 13 92.9 0.1 . 1 . . . . . . . . 7098 1 145 . 1 1 15 15 G C2' C 13 74.9 0.1 . 1 . . . . . . . . 7098 1 146 . 1 1 15 15 G C3' C 13 73.6 0.1 . 1 . . . . . . . . 7098 1 147 . 1 1 15 15 G C4' C 13 82.8 0.1 . 1 . . . . . . . . 7098 1 148 . 1 1 15 15 G C8 C 13 137.4 0.1 . 1 . . . . . . . . 7098 1 149 . 1 1 15 15 G H1 H 1 12.48 0.005 . 1 . . . . . . . . 7098 1 150 . 1 1 15 15 G N1 N 15 148.7 0.1 . 1 . . . . . . . . 7098 1 151 . 1 1 16 16 C H1' H 1 5.50 0.005 . 1 . . . . . . . . 7098 1 152 . 1 1 16 16 C H5 H 1 5.11 0.005 . 1 . . . . . . . . 7098 1 153 . 1 1 16 16 C H2' H 1 4.52 0.005 . 1 . . . . . . . . 7098 1 154 . 1 1 16 16 C H6 H 1 7.64 0.005 . 1 . . . . . . . . 7098 1 155 . 1 1 16 16 C C5 C 13 97.0 0.1 . 1 . . . . . . . . 7098 1 156 . 1 1 16 16 C C6 C 13 140.8 0.1 . 1 . . . . . . . . 7098 1 157 . 1 1 17 17 G H1' H 1 5.68 0.005 . 1 . . . . . . . . 7098 1 158 . 1 1 17 17 G H2' H 1 4.44 0.005 . 1 . . . . . . . . 7098 1 159 . 1 1 17 17 G H8 H 1 7.48 0.005 . 1 . . . . . . . . 7098 1 160 . 1 1 17 17 G C1' C 13 93.5 0.1 . 1 . . . . . . . . 7098 1 161 . 1 1 17 17 G C8 C 13 135.8 0.1 . 1 . . . . . . . . 7098 1 162 . 1 1 17 17 G H1 H 1 12.78 0.005 . 1 . . . . . . . . 7098 1 163 . 1 1 17 17 G N1 N 15 148.3 0.1 . 1 . . . . . . . . 7098 1 164 . 1 1 18 18 C H1' H 1 5.47 0.005 . 1 . . . . . . . . 7098 1 165 . 1 1 18 18 C H5 H 1 5.13 0.005 . 1 . . . . . . . . 7098 1 166 . 1 1 18 18 C H2' H 1 4.51 0.005 . 1 . . . . . . . . 7098 1 167 . 1 1 18 18 C H6 H 1 7.60 0.005 . 1 . . . . . . . . 7098 1 168 . 1 1 18 18 C C1' C 13 93.5 0.1 . 1 . . . . . . . . 7098 1 169 . 1 1 18 18 C C6 C 13 140.4 0.1 . 1 . . . . . . . . 7098 1 170 . 1 1 19 19 G H1' H 1 5.68 0.005 . 1 . . . . . . . . 7098 1 171 . 1 1 19 19 G H2' H 1 4.50 0.005 . 1 . . . . . . . . 7098 1 172 . 1 1 19 19 G H8 H 1 7.46 0.005 . 1 . . . . . . . . 7098 1 173 . 1 1 19 19 G C1' C 13 92.8 0.1 . 1 . . . . . . . . 7098 1 174 . 1 1 19 19 G C2' C 13 75.2 0.1 . 1 . . . . . . . . 7098 1 175 . 1 1 19 19 G C8 C 13 135.8 0.1 . 1 . . . . . . . . 7098 1 176 . 1 1 19 19 G H1 H 1 12.88 0.005 . 1 . . . . . . . . 7098 1 177 . 1 1 19 19 G N1 N 15 148.3 0.1 . 1 . . . . . . . . 7098 1 178 . 1 1 20 20 C H1' H 1 5.43 0.005 . 1 . . . . . . . . 7098 1 179 . 1 1 20 20 C H5 H 1 5.13 0.005 . 1 . . . . . . . . 7098 1 180 . 1 1 20 20 C H2' H 1 4.51 0.005 . 1 . . . . . . . . 7098 1 181 . 1 1 20 20 C H6 H 1 7.44 0.005 . 1 . . . . . . . . 7098 1 182 . 1 1 20 20 C C1' C 13 93.7 0.1 . 1 . . . . . . . . 7098 1 183 . 1 1 20 20 C C5 C 13 97.3 0.1 . 1 . . . . . . . . 7098 1 184 . 1 1 20 20 C C2' C 13 75.3 0.1 . 1 . . . . . . . . 7098 1 185 . 1 1 20 20 C C6 C 13 140.3 0.1 . 1 . . . . . . . . 7098 1 186 . 1 1 21 21 A H1' H 1 5.94 0.005 . 1 . . . . . . . . 7098 1 187 . 1 1 21 21 A H2 H 1 7.66 0.005 . 1 . . . . . . . . 7098 1 188 . 1 1 21 21 A H2' H 1 4.50 0.005 . 1 . . . . . . . . 7098 1 189 . 1 1 21 21 A H3' H 1 4.53 0.005 . 1 . . . . . . . . 7098 1 190 . 1 1 21 21 A H8 H 1 7.97 0.005 . 1 . . . . . . . . 7098 1 191 . 1 1 21 21 A C1' C 13 92.7 0.1 . 1 . . . . . . . . 7098 1 192 . 1 1 21 21 A C2 C 13 154.5 0.1 . 1 . . . . . . . . 7098 1 193 . 1 1 21 21 A C3' C 13 73.1 0.1 . 1 . . . . . . . . 7098 1 194 . 1 1 21 21 A C8 C 13 139.3 0.1 . 1 . . . . . . . . 7098 1 195 . 1 1 22 22 C H1' H 1 5.29 0.005 . 1 . . . . . . . . 7098 1 196 . 1 1 22 22 C H5 H 1 5.29 0.005 . 1 . . . . . . . . 7098 1 197 . 1 1 22 22 C H2' H 1 4.40 0.005 . 1 . . . . . . . . 7098 1 198 . 1 1 22 22 C H6 H 1 7.46 0.005 . 1 . . . . . . . . 7098 1 199 . 1 1 22 22 C C1' C 13 93.0 0.1 . 1 . . . . . . . . 7098 1 200 . 1 1 22 22 C C5 C 13 97.6 0.1 . 1 . . . . . . . . 7098 1 201 . 1 1 22 22 C C2' C 13 75.6 0.1 . 1 . . . . . . . . 7098 1 202 . 1 1 22 22 C C6 C 13 140.7 0.1 . 1 . . . . . . . . 7098 1 203 . 1 1 23 23 G H1' H 1 5.60 0.005 . 1 . . . . . . . . 7098 1 204 . 1 1 23 23 G H2' H 1 4.64 0.005 . 1 . . . . . . . . 7098 1 205 . 1 1 23 23 G H3' H 1 4.31 0.005 . 1 . . . . . . . . 7098 1 206 . 1 1 23 23 G H8 H 1 7.45 0.005 . 1 . . . . . . . . 7098 1 207 . 1 1 23 23 G C1' C 13 93.2 0.1 . 1 . . . . . . . . 7098 1 208 . 1 1 23 23 G C2' C 13 74.9 0.1 . 1 . . . . . . . . 7098 1 209 . 1 1 23 23 G C3' C 13 73.4 0.1 . 1 . . . . . . . . 7098 1 210 . 1 1 23 23 G C8 C 13 137.1 0.1 . 1 . . . . . . . . 7098 1 211 . 1 1 23 23 G H1 H 1 10.39 0.005 . 1 . . . . . . . . 7098 1 212 . 1 1 23 23 G N1 N 15 143.5 0.1 . 1 . . . . . . . . 7098 1 213 . 1 1 24 24 G H1' H 1 5.63 0.005 . 1 . . . . . . . . 7098 1 214 . 1 1 24 24 G H2' H 1 4.43 0.005 . 1 . . . . . . . . 7098 1 215 . 1 1 24 24 G H8 H 1 7.17 0.005 . 1 . . . . . . . . 7098 1 216 . 1 1 24 24 G C1' C 13 92.9 0.1 . 1 . . . . . . . . 7098 1 217 . 1 1 24 24 G C8 C 13 136.0 0.1 . 1 . . . . . . . . 7098 1 218 . 1 1 24 24 G H1 H 1 13.17 0.005 . 1 . . . . . . . . 7098 1 219 . 1 1 24 24 G N1 N 15 149.3 0.1 . 1 . . . . . . . . 7098 1 220 . 1 1 25 25 C H1' H 1 5.47 0.005 . 1 . . . . . . . . 7098 1 221 . 1 1 25 25 C H5 H 1 5.15 0.005 . 1 . . . . . . . . 7098 1 222 . 1 1 25 25 C H2' H 1 4.54 0.005 . 1 . . . . . . . . 7098 1 223 . 1 1 25 25 C H6 H 1 7.56 0.005 . 1 . . . . . . . . 7098 1 224 . 1 1 25 25 C C5 C 13 97.2 0.1 . 1 . . . . . . . . 7098 1 225 . 1 1 25 25 C C2' C 13 72.0 0.1 . 1 . . . . . . . . 7098 1 226 . 1 1 25 25 C C6 C 13 140.6 0.1 . 1 . . . . . . . . 7098 1 227 . 1 1 26 26 A H1' H 1 5.86 0.005 . 1 . . . . . . . . 7098 1 228 . 1 1 26 26 A H2 H 1 6.69 0.005 . 1 . . . . . . . . 7098 1 229 . 1 1 26 26 A H2' H 1 4.60 0.005 . 1 . . . . . . . . 7098 1 230 . 1 1 26 26 A H3' H 1 4.67 0.005 . 1 . . . . . . . . 7098 1 231 . 1 1 26 26 A H4' H 1 4.50 0.005 . 1 . . . . . . . . 7098 1 232 . 1 1 26 26 A H8 H 1 7.92 0.005 . 1 . . . . . . . . 7098 1 233 . 1 1 26 26 A C1' C 13 92.9 0.1 . 1 . . . . . . . . 7098 1 234 . 1 1 26 26 A C2 C 13 152.1 0.1 . 1 . . . . . . . . 7098 1 235 . 1 1 26 26 A C2' C 13 75.6 0.1 . 1 . . . . . . . . 7098 1 236 . 1 1 26 26 A C3' C 13 73.2 0.1 . 1 . . . . . . . . 7098 1 237 . 1 1 26 26 A C8 C 13 139.4 0.1 . 1 . . . . . . . . 7098 1 238 . 1 1 27 27 A H1' H 1 5.76 0.005 . 1 . . . . . . . . 7098 1 239 . 1 1 27 27 A H2 H 1 7.33 0.005 . 1 . . . . . . . . 7098 1 240 . 1 1 27 27 A H2' H 1 4.49 0.005 . 1 . . . . . . . . 7098 1 241 . 1 1 27 27 A H8 H 1 7.68 0.005 . 1 . . . . . . . . 7098 1 242 . 1 1 27 27 A C1' C 13 92.4 0.1 . 1 . . . . . . . . 7098 1 243 . 1 1 27 27 A C2 C 13 153.0 0.1 . 1 . . . . . . . . 7098 1 244 . 1 1 27 27 A C2' C 13 75.5 0.1 . 1 . . . . . . . . 7098 1 245 . 1 1 27 27 A C8 C 13 139.0 0.1 . 1 . . . . . . . . 7098 1 246 . 1 1 28 28 G H1' H 1 5.46 0.005 . 1 . . . . . . . . 7098 1 247 . 1 1 28 28 G H2' H 1 4.14 0.005 . 1 . . . . . . . . 7098 1 248 . 1 1 28 28 G H3' H 1 4.53 0.005 . 1 . . . . . . . . 7098 1 249 . 1 1 28 28 G H8 H 1 7.16 0.005 . 1 . . . . . . . . 7098 1 250 . 1 1 28 28 G C1' C 13 92.4 0.1 . 1 . . . . . . . . 7098 1 251 . 1 1 28 28 G C2' C 13 75.4 0.1 . 1 . . . . . . . . 7098 1 252 . 1 1 28 28 G C3' C 13 73.1 0.1 . 1 . . . . . . . . 7098 1 253 . 1 1 28 28 G C8 C 13 136.4 0.1 . 1 . . . . . . . . 7098 1 254 . 1 1 29 29 A H1' H 1 5.94 0.005 . 1 . . . . . . . . 7098 1 255 . 1 1 29 29 A H2 H 1 7.88 0.005 . 1 . . . . . . . . 7098 1 256 . 1 1 29 29 A H2' H 1 4.46 0.005 . 1 . . . . . . . . 7098 1 257 . 1 1 29 29 A H3' H 1 4.69 0.005 . 1 . . . . . . . . 7098 1 258 . 1 1 29 29 A H4' H 1 4.44 0.005 . 1 . . . . . . . . 7098 1 259 . 1 1 29 29 A H5' H 1 4.11 0.005 . 1 . . . . . . . . 7098 1 260 . 1 1 29 29 A H8 H 1 7.93 0.005 . 1 . . . . . . . . 7098 1 261 . 1 1 29 29 A C1' C 13 91.7 0.1 . 1 . . . . . . . . 7098 1 262 . 1 1 29 29 A C2 C 13 154.9 0.1 . 1 . . . . . . . . 7098 1 263 . 1 1 29 29 A C2' C 13 76.0 0.1 . 1 . . . . . . . . 7098 1 264 . 1 1 29 29 A C3' C 13 74.2 0.1 . 1 . . . . . . . . 7098 1 265 . 1 1 29 29 A C4' C 13 83.2 0.1 . 1 . . . . . . . . 7098 1 266 . 1 1 29 29 A C8 C 13 140.0 0.1 . 1 . . . . . . . . 7098 1 267 . 1 1 30 30 G H1' H 1 5.65 0.005 . 1 . . . . . . . . 7098 1 268 . 1 1 30 30 G H2' H 1 4.64 0.005 . 1 . . . . . . . . 7098 1 269 . 1 1 30 30 G H3' H 1 4.70 0.005 . 1 . . . . . . . . 7098 1 270 . 1 1 30 30 G H4' H 1 4.45 0.005 . 1 . . . . . . . . 7098 1 271 . 1 1 30 30 G H5'' H 1 4.27 0.005 . 1 . . . . . . . . 7098 1 272 . 1 1 30 30 G H5' H 1 4.12 0.005 . 1 . . . . . . . . 7098 1 273 . 1 1 30 30 G H8 H 1 7.66 0.005 . 1 . . . . . . . . 7098 1 274 . 1 1 30 30 G C1' C 13 90.5 0.1 . 1 . . . . . . . . 7098 1 275 . 1 1 30 30 G C2' C 13 74.9 0.1 . 1 . . . . . . . . 7098 1 276 . 1 1 30 30 G C4' C 13 84.6 0.1 . 1 . . . . . . . . 7098 1 277 . 1 1 30 30 G C8 C 13 139.3 0.1 . 1 . . . . . . . . 7098 1 278 . 1 1 31 31 G H1' H 1 5.86 0.005 . 1 . . . . . . . . 7098 1 279 . 1 1 31 31 G H2' H 1 4.81 0.005 . 1 . . . . . . . . 7098 1 280 . 1 1 31 31 G H3' H 1 4.83 0.005 . 1 . . . . . . . . 7098 1 281 . 1 1 31 31 G H4' H 1 4.54 0.005 . 1 . . . . . . . . 7098 1 282 . 1 1 31 31 G H8 H 1 7.90 0.005 . 1 . . . . . . . . 7098 1 283 . 1 1 31 31 G C1' C 13 90.3 0.1 . 1 . . . . . . . . 7098 1 284 . 1 1 31 31 G C2' C 13 75.4 0.1 . 1 . . . . . . . . 7098 1 285 . 1 1 31 31 G C4' C 13 84.9 0.1 . 1 . . . . . . . . 7098 1 286 . 1 1 31 31 G C8 C 13 139.7 0.1 . 1 . . . . . . . . 7098 1 287 . 1 1 32 32 C H1' H 1 5.67 0.005 . 1 . . . . . . . . 7098 1 288 . 1 1 32 32 C H5 H 1 5.60 0.005 . 1 . . . . . . . . 7098 1 289 . 1 1 32 32 C H2' H 1 4.58 0.005 . 1 . . . . . . . . 7098 1 290 . 1 1 32 32 C H3' H 1 4.61 0.005 . 1 . . . . . . . . 7098 1 291 . 1 1 32 32 C H4' H 1 4.51 0.005 . 1 . . . . . . . . 7098 1 292 . 1 1 32 32 C H6 H 1 7.76 0.005 . 1 . . . . . . . . 7098 1 293 . 1 1 32 32 C C1' C 13 93.7 0.1 . 1 . . . . . . . . 7098 1 294 . 1 1 32 32 C C5 C 13 98.6 0.1 . 1 . . . . . . . . 7098 1 295 . 1 1 32 32 C C3' C 13 73.6 0.1 . 1 . . . . . . . . 7098 1 296 . 1 1 32 32 C C4' C 13 82.7 0.1 . 1 . . . . . . . . 7098 1 297 . 1 1 32 32 C C6 C 13 142.0 0.1 . 1 . . . . . . . . 7098 1 298 . 1 1 33 33 G H1' H 1 5.80 0.005 . 1 . . . . . . . . 7098 1 299 . 1 1 33 33 G H2' H 1 4.56 0.005 . 1 . . . . . . . . 7098 1 300 . 1 1 33 33 G H3' H 1 4.64 0.005 . 1 . . . . . . . . 7098 1 301 . 1 1 33 33 G H8 H 1 7.75 0.005 . 1 . . . . . . . . 7098 1 302 . 1 1 33 33 G C1' C 13 93.0 0.1 . 1 . . . . . . . . 7098 1 303 . 1 1 33 33 G C8 C 13 136.7 0.1 . 1 . . . . . . . . 7098 1 304 . 1 1 33 33 G H1 H 1 12.98 0.005 . 1 . . . . . . . . 7098 1 305 . 1 1 33 33 G N1 N 15 148.4 0.1 . 1 . . . . . . . . 7098 1 306 . 1 1 34 34 U H1' H 1 5.62 0.005 . 1 . . . . . . . . 7098 1 307 . 1 1 34 34 U H5 H 1 5.16 0.005 . 1 . . . . . . . . 7098 1 308 . 1 1 34 34 U H2' H 1 4.31 0.005 . 1 . . . . . . . . 7098 1 309 . 1 1 34 34 U H6 H 1 7.82 0.005 . 1 . . . . . . . . 7098 1 310 . 1 1 34 34 U C1' C 13 93.6 0.1 . 1 . . . . . . . . 7098 1 311 . 1 1 34 34 U C5 C 13 102.6 0.1 . 1 . . . . . . . . 7098 1 312 . 1 1 34 34 U C2' C 13 75.5 0.1 . 1 . . . . . . . . 7098 1 313 . 1 1 34 34 U C6 C 13 141.8 0.1 . 1 . . . . . . . . 7098 1 314 . 1 1 34 34 U H3 H 1 14.46 0.005 . 1 . . . . . . . . 7098 1 315 . 1 1 34 34 U N3 N 15 163.6 0.1 . 1 . . . . . . . . 7098 1 316 . 1 1 35 35 C H1' H 1 5.90 0.005 . 1 . . . . . . . . 7098 1 317 . 1 1 35 35 C H5 H 1 5.71 0.005 . 1 . . . . . . . . 7098 1 318 . 1 1 35 35 C H2' H 1 4.02 0.005 . 1 . . . . . . . . 7098 1 319 . 1 1 35 35 C H3' H 1 4.22 0.005 . 1 . . . . . . . . 7098 1 320 . 1 1 35 35 C H4' H 1 4.21 0.005 . 1 . . . . . . . . 7098 1 321 . 1 1 35 35 C H5'' H 1 4.49 0.005 . 1 . . . . . . . . 7098 1 322 . 1 1 35 35 C H5' H 1 4.05 0.005 . 1 . . . . . . . . 7098 1 323 . 1 1 35 35 C H6 H 1 7.78 0.005 . 1 . . . . . . . . 7098 1 324 . 1 1 35 35 C C1' C 13 92.7 0.1 . 1 . . . . . . . . 7098 1 325 . 1 1 35 35 C C5 C 13 98.1 0.1 . 1 . . . . . . . . 7098 1 326 . 1 1 35 35 C C2' C 13 77.5 0.1 . 1 . . . . . . . . 7098 1 327 . 1 1 35 35 C C3' C 13 70.0 0.1 . 1 . . . . . . . . 7098 1 328 . 1 1 35 35 C C4' C 13 83.5 0.1 . 1 . . . . . . . . 7098 1 329 . 1 1 35 35 C C6 C 13 142.3 0.1 . 1 . . . . . . . . 7098 1 stop_ save_