################################### # 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 5932 _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 . 5932 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 13.133 0.02 . 1 . . . . . . . . 5932 1 2 . 1 1 1 1 G H8 H 1 8.175 0.02 . 1 . . . . . . . . 5932 1 3 . 1 1 1 1 G C8 C 13 139.072 0.05 . 1 . . . . . . . . 5932 1 4 . 1 1 1 1 G N1 N 15 146.863 0.05 . 1 . . . . . . . . 5932 1 5 . 1 1 1 1 G N7 N 15 231.974 0.05 . 1 . . . . . . . . 5932 1 6 . 1 1 1 1 G N9 N 15 168.181 0.05 . 1 . . . . . . . . 5932 1 7 . 1 1 1 1 G H1' H 1 5.843 0.02 . 1 . . . . . . . . 5932 1 8 . 1 1 1 1 G H2' H 1 4.962 0.02 . 1 . . . . . . . . 5932 1 9 . 1 1 1 1 G H3' H 1 4.754 0.02 . 1 . . . . . . . . 5932 1 10 . 1 1 1 1 G H4' H 1 4.587 0.02 . 1 . . . . . . . . 5932 1 11 . 1 1 1 1 G H5' H 1 4.459 0.02 . 2 . . . . . . . . 5932 1 12 . 1 1 1 1 G H5'' H 1 4.313 0.02 . 2 . . . . . . . . 5932 1 13 . 1 1 1 1 G C1' C 13 89.230 0.05 . 1 . . . . . . . . 5932 1 14 . 1 1 1 1 G C2' C 13 72.317 0.05 . 1 . . . . . . . . 5932 1 15 . 1 1 1 1 G C3' C 13 72.159 0.05 . 1 . . . . . . . . 5932 1 16 . 1 1 1 1 G C4' C 13 80.977 0.05 . 1 . . . . . . . . 5932 1 17 . 1 1 1 1 G C5' C 13 64.698 0.05 . 1 . . . . . . . . 5932 1 18 . 1 1 2 2 G H1 H 1 13.718 0.02 . 1 . . . . . . . . 5932 1 19 . 1 1 2 2 G H8 H 1 7.686 0.02 . 1 . . . . . . . . 5932 1 20 . 1 1 2 2 G C8 C 13 136.816 0.05 . 1 . . . . . . . . 5932 1 21 . 1 1 2 2 G N1 N 15 148.132 0.05 . 1 . . . . . . . . 5932 1 22 . 1 1 2 2 G N7 N 15 232.822 0.05 . 1 . . . . . . . . 5932 1 23 . 1 1 2 2 G N9 N 15 168.834 0.05 . 1 . . . . . . . . 5932 1 24 . 1 1 2 2 G H1' H 1 5.952 0.02 . 1 . . . . . . . . 5932 1 25 . 1 1 2 2 G H2' H 1 4.619 0.02 . 1 . . . . . . . . 5932 1 26 . 1 1 2 2 G H3' H 1 4.630 0.02 . 1 . . . . . . . . 5932 1 27 . 1 1 2 2 G H4' H 1 4.575 0.02 . 1 . . . . . . . . 5932 1 28 . 1 1 2 2 G H5' H 1 4.285 0.02 . 2 . . . . . . . . 5932 1 29 . 1 1 2 2 G H5'' H 1 4.564 0.02 . 2 . . . . . . . . 5932 1 30 . 1 1 2 2 G C1' C 13 90.541 0.05 . 1 . . . . . . . . 5932 1 31 . 1 1 2 2 G C2' C 13 72.906 0.05 . 1 . . . . . . . . 5932 1 32 . 1 1 2 2 G C3' C 13 70.253 0.05 . 1 . . . . . . . . 5932 1 33 . 1 1 2 2 G C4' C 13 80.013 0.05 . 1 . . . . . . . . 5932 1 34 . 1 1 2 2 G C5' C 13 63.287 0.05 . 1 . . . . . . . . 5932 1 35 . 1 1 3 3 C H41 H 1 8.964 0.02 . 1 . . . . . . . . 5932 1 36 . 1 1 3 3 C H42 H 1 7.295 0.02 . 1 . . . . . . . . 5932 1 37 . 1 1 3 3 C H5 H 1 5.308 0.02 . 1 . . . . . . . . 5932 1 38 . 1 1 3 3 C H6 H 1 7.758 0.02 . 1 . . . . . . . . 5932 1 39 . 1 1 3 3 C C5 C 13 97.091 0.05 . 1 . . . . . . . . 5932 1 40 . 1 1 3 3 C C6 C 13 141.055 0.05 . 1 . . . . . . . . 5932 1 41 . 1 1 3 3 C N4 N 15 98.746 0.05 . 1 . . . . . . . . 5932 1 42 . 1 1 3 3 C H1' H 1 5.597 0.02 . 1 . . . . . . . . 5932 1 43 . 1 1 3 3 C H2' H 1 4.435 0.02 . 1 . . . . . . . . 5932 1 44 . 1 1 3 3 C H3' H 1 4.496 0.02 . 1 . . . . . . . . 5932 1 45 . 1 1 3 3 C H4' H 1 4.475 0.02 . 1 . . . . . . . . 5932 1 46 . 1 1 3 3 C H5' H 1 4.123 0.02 . 2 . . . . . . . . 5932 1 47 . 1 1 3 3 C H5'' H 1 4.600 0.02 . 2 . . . . . . . . 5932 1 48 . 1 1 3 3 C C1' C 13 91.511 0.05 . 1 . . . . . . . . 5932 1 49 . 1 1 3 3 C C2' C 13 73.012 0.05 . 1 . . . . . . . . 5932 1 50 . 1 1 3 3 C C3' C 13 69.601 0.05 . 1 . . . . . . . . 5932 1 51 . 1 1 3 3 C C4' C 13 79.498 0.05 . 1 . . . . . . . . 5932 1 52 . 1 1 3 3 C C5' C 13 61.992 0.05 . 1 . . . . . . . . 5932 1 53 . 1 1 4 4 U H3 H 1 14.365 0.02 . 1 . . . . . . . . 5932 1 54 . 1 1 4 4 U H5 H 1 5.467 0.02 . 1 . . . . . . . . 5932 1 55 . 1 1 4 4 U H6 H 1 7.920 0.02 . 1 . . . . . . . . 5932 1 56 . 1 1 4 4 U C5 C 13 103.381 0.05 . 1 . . . . . . . . 5932 1 57 . 1 1 4 4 U C6 C 13 142.080 0.05 . 1 . . . . . . . . 5932 1 58 . 1 1 4 4 U N3 N 15 162.124 0.05 . 1 . . . . . . . . 5932 1 59 . 1 1 4 4 U H1' H 1 5.616 0.02 . 1 . . . . . . . . 5932 1 60 . 1 1 4 4 U H2' H 1 4.628 0.02 . 1 . . . . . . . . 5932 1 61 . 1 1 4 4 U H3' H 1 4.518 0.02 . 1 . . . . . . . . 5932 1 62 . 1 1 4 4 U H4' H 1 4.459 0.02 . 1 . . . . . . . . 5932 1 63 . 1 1 4 4 U H5' H 1 4.116 0.02 . 2 . . . . . . . . 5932 1 64 . 1 1 4 4 U H5'' H 1 4.586 0.02 . 2 . . . . . . . . 5932 1 65 . 1 1 4 4 U C1' C 13 91.249 0.05 . 1 . . . . . . . . 5932 1 66 . 1 1 4 4 U C2' C 13 72.908 0.05 . 1 . . . . . . . . 5932 1 67 . 1 1 4 4 U C3' C 13 69.606 0.05 . 1 . . . . . . . . 5932 1 68 . 1 1 4 4 U C4' C 13 79.591 0.05 . 1 . . . . . . . . 5932 1 69 . 1 1 4 4 U C5' C 13 62.014 0.05 . 1 . . . . . . . . 5932 1 70 . 1 1 5 5 C H41 H 1 8.512 0.02 . 1 . . . . . . . . 5932 1 71 . 1 1 5 5 C H42 H 1 7.279 0.02 . 1 . . . . . . . . 5932 1 72 . 1 1 5 5 C H5 H 1 5.581 0.02 . 1 . . . . . . . . 5932 1 73 . 1 1 5 5 C H6 H 1 7.665 0.02 . 1 . . . . . . . . 5932 1 74 . 1 1 5 5 C C5 C 13 97.707 0.05 . 1 . . . . . . . . 5932 1 75 . 1 1 5 5 C C6 C 13 141.328 0.05 . 1 . . . . . . . . 5932 1 76 . 1 1 5 5 C N4 N 15 96.949 0.05 . 1 . . . . . . . . 5932 1 77 . 1 1 5 5 C H1' H 1 5.506 0.02 . 1 . . . . . . . . 5932 1 78 . 1 1 5 5 C H2' H 1 4.556 0.02 . 1 . . . . . . . . 5932 1 79 . 1 1 5 5 C H3' H 1 4.215 0.02 . 1 . . . . . . . . 5932 1 80 . 1 1 5 5 C H4' H 1 4.470 0.02 . 1 . . . . . . . . 5932 1 81 . 1 1 5 5 C H5' H 1 4.103 0.02 . 2 . . . . . . . . 5932 1 82 . 1 1 5 5 C H5'' H 1 4.499 0.02 . 2 . . . . . . . . 5932 1 83 . 1 1 5 5 C C1' C 13 91.770 0.05 . 1 . . . . . . . . 5932 1 84 . 1 1 5 5 C C2' C 13 73.016 0.05 . 1 . . . . . . . . 5932 1 85 . 1 1 5 5 C C3' C 13 70.165 0.05 . 1 . . . . . . . . 5932 1 86 . 1 1 5 5 C C4' C 13 79.662 0.05 . 1 . . . . . . . . 5932 1 87 . 1 1 5 5 C C5' C 13 62.856 0.05 . 1 . . . . . . . . 5932 1 88 . 1 1 6 6 U H5 H 1 5.676 0.02 . 1 . . . . . . . . 5932 1 89 . 1 1 6 6 U H6 H 1 7.866 0.02 . 1 . . . . . . . . 5932 1 90 . 1 1 6 6 U C5 C 13 105.091 0.05 . 1 . . . . . . . . 5932 1 91 . 1 1 6 6 U C6 C 13 141.055 0.05 . 1 . . . . . . . . 5932 1 92 . 1 1 6 6 U H1' H 1 5.467 0.02 . 1 . . . . . . . . 5932 1 93 . 1 1 6 6 U H2' H 1 4.270 0.02 . 1 . . . . . . . . 5932 1 94 . 1 1 6 6 U H3' H 1 4.580 0.02 . 1 . . . . . . . . 5932 1 95 . 1 1 6 6 U H4' H 1 4.344 0.02 . 1 . . . . . . . . 5932 1 96 . 1 1 6 6 U H5' H 1 4.102 0.02 . 2 . . . . . . . . 5932 1 97 . 1 1 6 6 U H5'' H 1 4.438 0.02 . 2 . . . . . . . . 5932 1 98 . 1 1 6 6 U C1' C 13 91.503 0.05 . 1 . . . . . . . . 5932 1 99 . 1 1 6 6 U C2' C 13 73.352 0.05 . 1 . . . . . . . . 5932 1 100 . 1 1 6 6 U C3' C 13 70.722 0.05 . 1 . . . . . . . . 5932 1 101 . 1 1 6 6 U C4' C 13 80.597 0.05 . 1 . . . . . . . . 5932 1 102 . 1 1 6 6 U C5' C 13 62.238 0.05 . 1 . . . . . . . . 5932 1 103 . 1 1 7 7 C H41 H 1 7.456 0.02 . 2 . . . . . . . . 5932 1 104 . 1 1 7 7 C H42 H 1 6.891 0.02 . 2 . . . . . . . . 5932 1 105 . 1 1 7 7 C H5 H 1 5.948 0.02 . 1 . . . . . . . . 5932 1 106 . 1 1 7 7 C H6 H 1 7.923 0.02 . 1 . . . . . . . . 5932 1 107 . 1 1 7 7 C C5 C 13 98.937 0.05 . 1 . . . . . . . . 5932 1 108 . 1 1 7 7 C C6 C 13 143.858 0.05 . 1 . . . . . . . . 5932 1 109 . 1 1 7 7 C N4 N 15 93.904 0.05 . 1 . . . . . . . . 5932 1 110 . 1 1 7 7 C H1' H 1 5.892 0.02 . 1 . . . . . . . . 5932 1 111 . 1 1 7 7 C H2' H 1 4.448 0.02 . 1 . . . . . . . . 5932 1 112 . 1 1 7 7 C H3' H 1 4.420 0.02 . 1 . . . . . . . . 5932 1 113 . 1 1 7 7 C H4' H 1 4.280 0.02 . 1 . . . . . . . . 5932 1 114 . 1 1 7 7 C H5' H 1 4.052 0.02 . 2 . . . . . . . . 5932 1 115 . 1 1 7 7 C H5'' H 1 4.182 0.02 . 2 . . . . . . . . 5932 1 116 . 1 1 7 7 C C1' C 13 88.481 0.05 . 1 . . . . . . . . 5932 1 117 . 1 1 7 7 C C2' C 13 72.849 0.05 . 1 . . . . . . . . 5932 1 118 . 1 1 7 7 C C3' C 13 74.278 0.05 . 1 . . . . . . . . 5932 1 119 . 1 1 7 7 C C4' C 13 82.317 0.05 . 1 . . . . . . . . 5932 1 120 . 1 1 7 7 C C5' C 13 64.272 0.05 . 1 . . . . . . . . 5932 1 121 . 1 1 8 8 A H2 H 1 8.038 0.02 . 1 . . . . . . . . 5932 1 122 . 1 1 8 8 A H61 H 1 7.156 0.02 . 2 . . . . . . . . 5932 1 123 . 1 1 8 8 A H62 H 1 7.156 0.02 . 2 . . . . . . . . 5932 1 124 . 1 1 8 8 A H8 H 1 8.150 0.02 . 1 . . . . . . . . 5932 1 125 . 1 1 8 8 A C2 C 13 155.276 0.05 . 1 . . . . . . . . 5932 1 126 . 1 1 8 8 A C8 C 13 141.465 0.05 . 1 . . . . . . . . 5932 1 127 . 1 1 8 8 A N6 N 15 78.962 0.05 . 1 . . . . . . . . 5932 1 128 . 1 1 8 8 A N7 N 15 235.224 0.05 . 1 . . . . . . . . 5932 1 129 . 1 1 8 8 A N9 N 15 168.667 0.05 . 1 . . . . . . . . 5932 1 130 . 1 1 8 8 A H1' H 1 5.823 0.02 . 1 . . . . . . . . 5932 1 131 . 1 1 8 8 A H2' H 1 4.454 0.02 . 1 . . . . . . . . 5932 1 132 . 1 1 8 8 A H3' H 1 4.626 0.02 . 1 . . . . . . . . 5932 1 133 . 1 1 8 8 A H4' H 1 4.084 0.02 . 1 . . . . . . . . 5932 1 134 . 1 1 8 8 A H5' H 1 3.832 0.02 . 2 . . . . . . . . 5932 1 135 . 1 1 8 8 A H5'' H 1 3.514 0.02 . 2 . . . . . . . . 5932 1 136 . 1 1 8 8 A C1' C 13 87.463 0.05 . 1 . . . . . . . . 5932 1 137 . 1 1 8 8 A C2' C 13 75.682 0.05 . 1 . . . . . . . . 5932 1 138 . 1 1 8 8 A C3' C 13 76.425 0.05 . 1 . . . . . . . . 5932 1 139 . 1 1 8 8 A C4' C 13 83.028 0.05 . 1 . . . . . . . . 5932 1 140 . 1 1 8 8 A C5' C 13 65.103 0.05 . 1 . . . . . . . . 5932 1 141 . 1 1 9 9 G H21 H 1 6.499 0.02 . 2 . . . . . . . . 5932 1 142 . 1 1 9 9 G H22 H 1 6.499 0.02 . 2 . . . . . . . . 5932 1 143 . 1 1 9 9 G H8 H 1 7.939 0.02 . 1 . . . . . . . . 5932 1 144 . 1 1 9 9 G C8 C 13 141.738 0.05 . 1 . . . . . . . . 5932 1 145 . 1 1 9 9 G N2 N 15 74.408 0.05 . 1 . . . . . . . . 5932 1 146 . 1 1 9 9 G N7 N 15 233.175 0.05 . 1 . . . . . . . . 5932 1 147 . 1 1 9 9 G N9 N 15 168.653 0.05 . 1 . . . . . . . . 5932 1 148 . 1 1 9 9 G H1' H 1 5.920 0.02 . 1 . . . . . . . . 5932 1 149 . 1 1 9 9 G H2' H 1 5.026 0.02 . 1 . . . . . . . . 5932 1 150 . 1 1 9 9 G H3' H 1 5.133 0.02 . 1 . . . . . . . . 5932 1 151 . 1 1 9 9 G H4' H 1 4.459 0.02 . 1 . . . . . . . . 5932 1 152 . 1 1 9 9 G H5' H 1 4.123 0.02 . 2 . . . . . . . . 5932 1 153 . 1 1 9 9 G H5'' H 1 4.286 0.02 . 2 . . . . . . . . 5932 1 154 . 1 1 9 9 G C1' C 13 89.475 0.05 . 1 . . . . . . . . 5932 1 155 . 1 1 9 9 G C2' C 13 72.570 0.05 . 1 . . . . . . . . 5932 1 156 . 1 1 9 9 G C3' C 13 74.660 0.05 . 1 . . . . . . . . 5932 1 157 . 1 1 9 9 G C4' C 13 82.285 0.05 . 1 . . . . . . . . 5932 1 158 . 1 1 9 9 G C5' C 13 65.949 0.05 . 1 . . . . . . . . 5932 1 159 . 1 1 10 10 U H5 H 1 5.961 0.02 . 1 . . . . . . . . 5932 1 160 . 1 1 10 10 U H6 H 1 7.938 0.02 . 1 . . . . . . . . 5932 1 161 . 1 1 10 10 U C5 C 13 105.228 0.05 . 1 . . . . . . . . 5932 1 162 . 1 1 10 10 U C6 C 13 143.995 0.05 . 1 . . . . . . . . 5932 1 163 . 1 1 10 10 U H1' H 1 6.003 0.02 . 1 . . . . . . . . 5932 1 164 . 1 1 10 10 U H2' H 1 4.551 0.02 . 1 . . . . . . . . 5932 1 165 . 1 1 10 10 U H3' H 1 4.775 0.02 . 1 . . . . . . . . 5932 1 166 . 1 1 10 10 U H4' H 1 4.625 0.02 . 1 . . . . . . . . 5932 1 167 . 1 1 10 10 U H5' H 1 4.388 0.02 . 2 . . . . . . . . 5932 1 168 . 1 1 10 10 U H5'' H 1 4.254 0.02 . 2 . . . . . . . . 5932 1 169 . 1 1 10 10 U C1' C 13 88.689 0.05 . 1 . . . . . . . . 5932 1 170 . 1 1 10 10 U C2' C 13 73.009 0.05 . 1 . . . . . . . . 5932 1 171 . 1 1 10 10 U C3' C 13 73.307 0.05 . 1 . . . . . . . . 5932 1 172 . 1 1 10 10 U C4' C 13 82.095 0.05 . 1 . . . . . . . . 5932 1 173 . 1 1 10 10 U C5' C 13 64.947 0.05 . 1 . . . . . . . . 5932 1 174 . 1 1 11 11 G H1 H 1 12.600 0.02 . 1 . . . . . . . . 5932 1 175 . 1 1 11 11 G H21 H 1 8.278 0.02 . 1 . . . . . . . . 5932 1 176 . 1 1 11 11 G H22 H 1 6.383 0.02 . 1 . . . . . . . . 5932 1 177 . 1 1 11 11 G H8 H 1 7.631 0.02 . 1 . . . . . . . . 5932 1 178 . 1 1 11 11 G C8 C 13 137.431 0.05 . 1 . . . . . . . . 5932 1 179 . 1 1 11 11 G N1 N 15 147.014 0.05 . 1 . . . . . . . . 5932 1 180 . 1 1 11 11 G N2 N 15 74.285 0.05 . 1 . . . . . . . . 5932 1 181 . 1 1 11 11 G N7 N 15 233.671 0.05 . 1 . . . . . . . . 5932 1 182 . 1 1 11 11 G N9 N 15 168.389 0.05 . 1 . . . . . . . . 5932 1 183 . 1 1 11 11 G H1' H 1 5.052 0.02 . 1 . . . . . . . . 5932 1 184 . 1 1 11 11 G H2' H 1 4.623 0.02 . 1 . . . . . . . . 5932 1 185 . 1 1 11 11 G H3' H 1 4.513 0.02 . 1 . . . . . . . . 5932 1 186 . 1 1 11 11 G H4' H 1 4.421 0.02 . 1 . . . . . . . . 5932 1 187 . 1 1 11 11 G H5' H 1 4.181 0.02 . 2 . . . . . . . . 5932 1 188 . 1 1 11 11 G H5'' H 1 4.407 0.02 . 2 . . . . . . . . 5932 1 189 . 1 1 11 11 G C1' C 13 90.663 0.05 . 1 . . . . . . . . 5932 1 190 . 1 1 11 11 G C2' C 13 72.740 0.05 . 1 . . . . . . . . 5932 1 191 . 1 1 11 11 G C3' C 13 71.040 0.05 . 1 . . . . . . . . 5932 1 192 . 1 1 11 11 G C4' C 13 80.205 0.05 . 1 . . . . . . . . 5932 1 193 . 1 1 11 11 G C5' C 13 64.270 0.05 . 1 . . . . . . . . 5932 1 194 . 1 1 12 12 A H2 H 1 7.482 0.02 . 1 . . . . . . . . 5932 1 195 . 1 1 12 12 A H8 H 1 7.830 0.02 . 1 . . . . . . . . 5932 1 196 . 1 1 12 12 A C2 C 13 153.293 0.05 . 1 . . . . . . . . 5932 1 197 . 1 1 12 12 A C8 C 13 139.687 0.05 . 1 . . . . . . . . 5932 1 198 . 1 1 12 12 A N1 N 15 220.578 0.05 . 1 . . . . . . . . 5932 1 199 . 1 1 12 12 A N3 N 15 211.547 0.05 . 1 . . . . . . . . 5932 1 200 . 1 1 12 12 A N6 N 15 82.490 0.05 . 1 . . . . . . . . 5932 1 201 . 1 1 12 12 A N7 N 15 228.513 0.05 . 1 . . . . . . . . 5932 1 202 . 1 1 12 12 A N9 N 15 169.931 0.05 . 1 . . . . . . . . 5932 1 203 . 1 1 12 12 A H1' H 1 6.002 0.02 . 1 . . . . . . . . 5932 1 204 . 1 1 12 12 A H2' H 1 4.751 0.02 . 1 . . . . . . . . 5932 1 205 . 1 1 12 12 A H3' H 1 4.709 0.02 . 1 . . . . . . . . 5932 1 206 . 1 1 12 12 A H4' H 1 4.544 0.02 . 1 . . . . . . . . 5932 1 207 . 1 1 12 12 A H5' H 1 4.566 0.02 . 2 . . . . . . . . 5932 1 208 . 1 1 12 12 A H5'' H 1 4.167 0.02 . 2 . . . . . . . . 5932 1 209 . 1 1 12 12 A C1' C 13 90.597 0.05 . 1 . . . . . . . . 5932 1 210 . 1 1 12 12 A C2' C 13 73.307 0.05 . 1 . . . . . . . . 5932 1 211 . 1 1 12 12 A C3' C 13 70.191 0.05 . 1 . . . . . . . . 5932 1 212 . 1 1 12 12 A C4' C 13 79.634 0.05 . 1 . . . . . . . . 5932 1 213 . 1 1 12 12 A C5' C 13 62.757 0.05 . 1 . . . . . . . . 5932 1 214 . 1 1 13 13 G H1 H 1 13.730 0.02 . 1 . . . . . . . . 5932 1 215 . 1 1 13 13 G H8 H 1 7.254 0.02 . 1 . . . . . . . . 5932 1 216 . 1 1 13 13 G C8 C 13 135.653 0.05 . 1 . . . . . . . . 5932 1 217 . 1 1 13 13 G N1 N 15 148.072 0.05 . 1 . . . . . . . . 5932 1 218 . 1 1 13 13 G N2 N 15 74.626 0.05 . 1 . . . . . . . . 5932 1 219 . 1 1 13 13 G N7 N 15 233.599 0.05 . 1 . . . . . . . . 5932 1 220 . 1 1 13 13 G N9 N 15 168.639 0.05 . 1 . . . . . . . . 5932 1 221 . 1 1 13 13 G H1' H 1 5.704 0.02 . 1 . . . . . . . . 5932 1 222 . 1 1 13 13 G H2' H 1 4.485 0.02 . 1 . . . . . . . . 5932 1 223 . 1 1 13 13 G H3' H 1 4.469 0.02 . 1 . . . . . . . . 5932 1 224 . 1 1 13 13 G H4' H 1 4.492 0.02 . 1 . . . . . . . . 5932 1 225 . 1 1 13 13 G H5' H 1 4.085 0.02 . 2 . . . . . . . . 5932 1 226 . 1 1 13 13 G H5'' H 1 4.503 0.02 . 2 . . . . . . . . 5932 1 227 . 1 1 13 13 G C1' C 13 90.264 0.05 . 1 . . . . . . . . 5932 1 228 . 1 1 13 13 G C2' C 13 72.894 0.05 . 1 . . . . . . . . 5932 1 229 . 1 1 13 13 G C3' C 13 70.192 0.05 . 1 . . . . . . . . 5932 1 230 . 1 1 13 13 G C4' C 13 79.481 0.05 . 1 . . . . . . . . 5932 1 231 . 1 1 13 13 G C5' C 13 63.031 0.05 . 1 . . . . . . . . 5932 1 232 . 1 1 14 14 C H41 H 1 8.902 0.02 . 1 . . . . . . . . 5932 1 233 . 1 1 14 14 C H42 H 1 7.249 0.02 . 1 . . . . . . . . 5932 1 234 . 1 1 14 14 C H5 H 1 5.211 0.02 . 1 . . . . . . . . 5932 1 235 . 1 1 14 14 C H6 H 1 7.630 0.02 . 1 . . . . . . . . 5932 1 236 . 1 1 14 14 C C5 C 13 97.023 0.05 . 1 . . . . . . . . 5932 1 237 . 1 1 14 14 C C6 C 13 140.918 0.05 . 1 . . . . . . . . 5932 1 238 . 1 1 14 14 C N4 N 15 98.760 0.05 . 1 . . . . . . . . 5932 1 239 . 1 1 14 14 C H1' H 1 5.554 0.02 . 1 . . . . . . . . 5932 1 240 . 1 1 14 14 C H2' H 1 4.302 0.02 . 1 . . . . . . . . 5932 1 241 . 1 1 14 14 C H3' H 1 4.433 0.02 . 1 . . . . . . . . 5932 1 242 . 1 1 14 14 C H4' H 1 4.422 0.02 . 1 . . . . . . . . 5932 1 243 . 1 1 14 14 C H5' H 1 4.061 0.02 . 2 . . . . . . . . 5932 1 244 . 1 1 14 14 C H5'' H 1 4.553 0.02 . 2 . . . . . . . . 5932 1 245 . 1 1 14 14 C C1' C 13 91.626 0.05 . 1 . . . . . . . . 5932 1 246 . 1 1 14 14 C C2' C 13 72.155 0.05 . 1 . . . . . . . . 5932 1 247 . 1 1 14 14 C C3' C 13 69.350 0.05 . 1 . . . . . . . . 5932 1 248 . 1 1 14 14 C C4' C 13 79.462 0.05 . 1 . . . . . . . . 5932 1 249 . 1 1 14 14 C C5' C 13 61.938 0.05 . 1 . . . . . . . . 5932 1 250 . 1 1 15 15 C H41 H 1 8.712 0.02 . 1 . . . . . . . . 5932 1 251 . 1 1 15 15 C H42 H 1 7.314 0.02 . 1 . . . . . . . . 5932 1 252 . 1 1 15 15 C H5 H 1 5.550 0.02 . 1 . . . . . . . . 5932 1 253 . 1 1 15 15 C H6 H 1 7.689 0.02 . 1 . . . . . . . . 5932 1 254 . 1 1 15 15 C C5 C 13 98.254 0.05 . 1 . . . . . . . . 5932 1 255 . 1 1 15 15 C C6 C 13 141.602 0.05 . 1 . . . . . . . . 5932 1 256 . 1 1 15 15 C N4 N 15 96.949 0.05 . 1 . . . . . . . . 5932 1 257 . 1 1 15 15 C H1' H 1 5.792 0.02 . 1 . . . . . . . . 5932 1 258 . 1 1 15 15 C H2' H 1 4.036 0.02 . 1 . . . . . . . . 5932 1 259 . 1 1 15 15 C H3' H 1 4.190 0.02 . 1 . . . . . . . . 5932 1 260 . 1 1 15 15 C H4' H 1 4.188 0.02 . 1 . . . . . . . . 5932 1 261 . 1 1 15 15 C H5' H 1 4.049 0.02 . 2 . . . . . . . . 5932 1 262 . 1 1 15 15 C H5'' H 1 4.503 0.02 . 2 . . . . . . . . 5932 1 263 . 1 1 15 15 C C1' C 13 90.599 0.05 . 1 . . . . . . . . 5932 1 264 . 1 1 15 15 C C2' C 13 75.059 0.05 . 1 . . . . . . . . 5932 1 265 . 1 1 15 15 C C3' C 13 67.062 0.05 . 1 . . . . . . . . 5932 1 266 . 1 1 15 15 C C4' C 13 80.904 0.05 . 1 . . . . . . . . 5932 1 267 . 1 1 15 15 C C5' C 13 62.533 0.05 . 1 . . . . . . . . 5932 1 stop_ save_