################################### # 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_sl2rna _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode sl2rna _Assigned_chem_shift_list.Entry_ID 4780 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-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 . 4780 1 . . 2 $sample_2 . 4780 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 12.913 0.02 . 1 . . . . . . . . 4780 1 2 . 1 1 1 1 G H8 H 1 8.170 0.02 . 1 . . . . . . . . 4780 1 3 . 1 1 1 1 G C8 C 13 107.807 0.20 . 1 . . . . . . . . 4780 1 4 . 1 1 1 1 G H1' H 1 5.807 0.02 . 1 . . . . . . . . 4780 1 5 . 1 1 1 1 G H2' H 1 4.923 0.02 . 1 . . . . . . . . 4780 1 6 . 1 1 1 1 G H3' H 1 4.722 0.02 . 1 . . . . . . . . 4780 1 7 . 1 1 1 1 G H4' H 1 4.509 0.02 . 1 . . . . . . . . 4780 1 8 . 1 1 1 1 G H5' H 1 4.167 0.02 . 1 . . . . . . . . 4780 1 9 . 1 1 1 1 G H5'' H 1 4.052 0.02 . 1 . . . . . . . . 4780 1 10 . 1 1 1 1 G C1' C 13 91.661 0.20 . 1 . . . . . . . . 4780 1 11 . 1 1 1 1 G C2' C 13 75.066 0.20 . 1 . . . . . . . . 4780 1 12 . 1 1 1 1 G C3' C 13 75.321 0.20 . 1 . . . . . . . . 4780 1 13 . 1 1 1 1 G C4' C 13 83.955 0.20 . 1 . . . . . . . . 4780 1 14 . 1 1 1 1 G C5' C 13 65.820 0.20 . 1 . . . . . . . . 4780 1 15 . 1 1 2 2 G H1 H 1 13.357 0.02 . 1 . . . . . . . . 4780 1 16 . 1 1 2 2 G H8 H 1 7.596 0.02 . 1 . . . . . . . . 4780 1 17 . 1 1 2 2 G C8 C 13 136.705 0.20 . 1 . . . . . . . . 4780 1 18 . 1 1 2 2 G H1' H 1 5.916 0.02 . 1 . . . . . . . . 4780 1 19 . 1 1 2 2 G H2' H 1 4.577 0.02 . 1 . . . . . . . . 4780 1 20 . 1 1 2 2 G H3' H 1 4.549 0.02 . 1 . . . . . . . . 4780 1 21 . 1 1 2 2 G H4' H 1 4.557 0.02 . 1 . . . . . . . . 4780 1 22 . 1 1 2 2 G C1' C 13 92.922 0.20 . 1 . . . . . . . . 4780 1 23 . 1 1 2 2 G C2' C 13 75.250 0.20 . 1 . . . . . . . . 4780 1 24 . 1 1 2 2 G C3' C 13 73.207 0.20 . 1 . . . . . . . . 4780 1 25 . 1 1 2 2 G C4' C 13 82.679 0.20 . 1 . . . . . . . . 4780 1 26 . 1 1 3 3 C H41 H 1 8.663 0.02 . 1 . . . . . . . . 4780 1 27 . 1 1 3 3 C H6 H 1 7.580 0.02 . 1 . . . . . . . . 4780 1 28 . 1 1 3 3 C C2 C 13 6.786 0.02 . 1 . . . . . . . . 4780 1 29 . 1 1 3 3 C C6 C 13 140.463 0.20 . 1 . . . . . . . . 4780 1 30 . 1 1 3 3 C H1' H 1 5.579 0.02 . 1 . . . . . . . . 4780 1 31 . 1 1 3 3 C H2' H 1 4.663 0.02 . 1 . . . . . . . . 4780 1 32 . 1 1 3 3 C H3' H 1 4.503 0.02 . 1 . . . . . . . . 4780 1 33 . 1 1 3 3 C H4' H 1 4.420 0.02 . 1 . . . . . . . . 4780 1 34 . 1 1 3 3 C C1' C 13 93.660 0.20 . 1 . . . . . . . . 4780 1 35 . 1 1 3 3 C C2' C 13 75.622 0.20 . 1 . . . . . . . . 4780 1 36 . 1 1 3 3 C C3' C 13 72.484 0.20 . 1 . . . . . . . . 4780 1 37 . 1 1 3 3 C C4' C 13 81.848 0.20 . 1 . . . . . . . . 4780 1 38 . 1 1 4 4 G H1 H 1 12.193 0.02 . 1 . . . . . . . . 4780 1 39 . 1 1 4 4 G H8 H 1 7.477 0.02 . 1 . . . . . . . . 4780 1 40 . 1 1 4 4 G C8 C 13 136.206 0.20 . 1 . . . . . . . . 4780 1 41 . 1 1 4 4 G H1' H 1 7.618 0.02 . 1 . . . . . . . . 4780 1 42 . 1 1 4 4 G H2' H 1 4.679 0.02 . 1 . . . . . . . . 4780 1 43 . 1 1 4 4 G H3' H 1 4.512 0.02 . 1 . . . . . . . . 4780 1 44 . 1 1 4 4 G H4' H 1 4.516 0.02 . 1 . . . . . . . . 4780 1 45 . 1 1 4 4 G H5' H 1 4.427 0.02 . 1 . . . . . . . . 4780 1 46 . 1 1 4 4 G H5'' H 1 4.149 0.02 . 1 . . . . . . . . 4780 1 47 . 1 1 4 4 G C2' C 13 75.423 0.20 . 1 . . . . . . . . 4780 1 48 . 1 1 4 4 G C3' C 13 73.726 0.20 . 1 . . . . . . . . 4780 1 49 . 1 1 4 4 G C4' C 13 82.404 0.20 . 1 . . . . . . . . 4780 1 50 . 1 1 4 4 G C5' C 13 66.907 0.20 . 1 . . . . . . . . 4780 1 51 . 1 1 5 5 A H2 H 1 7.696 0.02 . 1 . . . . . . . . 4780 1 52 . 1 1 5 5 A H8 H 1 7.849 0.02 . 1 . . . . . . . . 4780 1 53 . 1 1 5 5 A C2 C 13 154.264 0.20 . 1 . . . . . . . . 4780 1 54 . 1 1 5 5 A C8 C 13 139.298 0.20 . 1 . . . . . . . . 4780 1 55 . 1 1 5 5 A H1' H 1 5.917 0.02 . 1 . . . . . . . . 4780 1 56 . 1 1 5 5 A H2' H 1 4.553 0.02 . 1 . . . . . . . . 4780 1 57 . 1 1 5 5 A H3' H 1 4.611 0.02 . 1 . . . . . . . . 4780 1 58 . 1 1 5 5 A H4' H 1 4.496 0.02 . 1 . . . . . . . . 4780 1 59 . 1 1 5 5 A C1' C 13 92.969 0.20 . 1 . . . . . . . . 4780 1 60 . 1 1 5 5 A C2' C 13 75.359 0.20 . 1 . . . . . . . . 4780 1 61 . 1 1 5 5 A C3' C 13 72.555 0.20 . 1 . . . . . . . . 4780 1 62 . 1 1 5 5 A C4' C 13 83.171 0.20 . 1 . . . . . . . . 4780 1 63 . 1 1 6 6 C H41 H 1 8.274 0.02 . 1 . . . . . . . . 4780 1 64 . 1 1 6 6 C H42 H 1 7.021 0.02 . 1 . . . . . . . . 4780 1 65 . 1 1 6 6 C H6 H 1 7.555 0.02 . 1 . . . . . . . . 4780 1 66 . 1 1 6 6 C C6 C 13 140.579 0.20 . 1 . . . . . . . . 4780 1 67 . 1 1 6 6 C H1' H 1 5.417 0.02 . 1 . . . . . . . . 4780 1 68 . 1 1 6 6 C H2' H 1 4.185 0.02 . 1 . . . . . . . . 4780 1 69 . 1 1 6 6 C H3' H 1 4.358 0.02 . 1 . . . . . . . . 4780 1 70 . 1 1 6 6 C H4' H 1 4.354 0.02 . 1 . . . . . . . . 4780 1 71 . 1 1 6 6 C H5' H 1 4.492 0.02 . 1 . . . . . . . . 4780 1 72 . 1 1 6 6 C H5'' H 1 4.060 0.02 . 1 . . . . . . . . 4780 1 73 . 1 1 6 6 C C1' C 13 93.519 0.20 . 1 . . . . . . . . 4780 1 74 . 1 1 6 6 C C2' C 13 75.612 0.20 . 1 . . . . . . . . 4780 1 75 . 1 1 6 6 C C3' C 13 72.134 0.20 . 1 . . . . . . . . 4780 1 76 . 1 1 6 6 C C4' C 13 81.815 0.20 . 1 . . . . . . . . 4780 1 77 . 1 1 6 6 C C5' C 13 64.279 0.20 . 1 . . . . . . . . 4780 1 78 . 1 1 7 7 U H5 H 1 5.337 0.02 . 1 . . . . . . . . 4780 1 79 . 1 1 7 7 U H6 H 1 7.783 0.02 . 1 . . . . . . . . 4780 1 80 . 1 1 7 7 U C5 C 13 103.995 0.20 . 1 . . . . . . . . 4780 1 81 . 1 1 7 7 U C6 C 13 141.210 0.20 . 1 . . . . . . . . 4780 1 82 . 1 1 7 7 U H1' H 1 5.638 0.02 . 1 . . . . . . . . 4780 1 83 . 1 1 7 7 U H2' H 1 4.543 0.02 . 1 . . . . . . . . 4780 1 84 . 1 1 7 7 U H3' H 1 4.436 0.02 . 1 . . . . . . . . 4780 1 85 . 1 1 7 7 U H4' H 1 4.352 0.02 . 1 . . . . . . . . 4780 1 86 . 1 1 7 7 U H5' H 1 4.571 0.02 . 1 . . . . . . . . 4780 1 87 . 1 1 7 7 U H5'' H 1 4.131 0.02 . 1 . . . . . . . . 4780 1 88 . 1 1 7 7 U C1' C 13 93.315 0.20 . 1 . . . . . . . . 4780 1 89 . 1 1 7 7 U C2' C 13 75.354 0.20 . 1 . . . . . . . . 4780 1 90 . 1 1 7 7 U C3' C 13 72.854 0.20 . 1 . . . . . . . . 4780 1 91 . 1 1 7 7 U C4' C 13 82.370 0.20 . 1 . . . . . . . . 4780 1 92 . 1 1 7 7 U C5' C 13 64.626 0.20 . 1 . . . . . . . . 4780 1 93 . 1 1 8 8 G H8 H 1 7.630 0.02 . 1 . . . . . . . . 4780 1 94 . 1 1 8 8 G C8 C 13 137.423 0.20 . 1 . . . . . . . . 4780 1 95 . 1 1 8 8 G H1' H 1 5.693 0.02 . 1 . . . . . . . . 4780 1 96 . 1 1 8 8 G H2' H 1 3.928 0.02 . 1 . . . . . . . . 4780 1 97 . 1 1 8 8 G H3' H 1 4.503 0.02 . 1 . . . . . . . . 4780 1 98 . 1 1 8 8 G H4' H 1 4.355 0.02 . 1 . . . . . . . . 4780 1 99 . 1 1 8 8 G H5' H 1 4.568 0.02 . 1 . . . . . . . . 4780 1 100 . 1 1 8 8 G H5'' H 1 4.077 0.02 . 1 . . . . . . . . 4780 1 101 . 1 1 8 8 G C1' C 13 92.927 0.20 . 1 . . . . . . . . 4780 1 102 . 1 1 8 8 G C2' C 13 76.595 0.20 . 1 . . . . . . . . 4780 1 103 . 1 1 8 8 G C3' C 13 73.605 0.20 . 1 . . . . . . . . 4780 1 104 . 1 1 8 8 G C4' C 13 82.653 0.20 . 1 . . . . . . . . 4780 1 105 . 1 1 8 8 G C5' C 13 64.482 0.20 . 1 . . . . . . . . 4780 1 106 . 1 1 9 9 G H8 H 1 7.614 0.02 . 1 . . . . . . . . 4780 1 107 . 1 1 9 9 G C8 C 13 139.047 0.20 . 1 . . . . . . . . 4780 1 108 . 1 1 9 9 G H1' H 1 5.628 0.02 . 1 . . . . . . . . 4780 1 109 . 1 1 9 9 G H2' H 1 4.498 0.02 . 1 . . . . . . . . 4780 1 110 . 1 1 9 9 G H3' H 1 4.496 0.02 . 1 . . . . . . . . 4780 1 111 . 1 1 9 9 G H4' H 1 2.660 0.02 . 1 . . . . . . . . 4780 1 112 . 1 1 9 9 G H5' H 1 2.981 0.02 . 1 . . . . . . . . 4780 1 113 . 1 1 9 9 G H5'' H 1 2.927 0.02 . 1 . . . . . . . . 4780 1 114 . 1 1 9 9 G C1' C 13 89.623 0.20 . 1 . . . . . . . . 4780 1 115 . 1 1 9 9 G C2' C 13 76.813 0.20 . 1 . . . . . . . . 4780 1 116 . 1 1 9 9 G C3' C 13 80.646 0.20 . 1 . . . . . . . . 4780 1 117 . 1 1 9 9 G C4' C 13 86.542 0.20 . 1 . . . . . . . . 4780 1 118 . 1 1 9 9 G C5' C 13 67.467 0.20 . 1 . . . . . . . . 4780 1 119 . 1 1 10 10 U H5 H 1 6.298 0.02 . 1 . . . . . . . . 4780 1 120 . 1 1 10 10 U H6 H 1 7.916 0.02 . 1 . . . . . . . . 4780 1 121 . 1 1 10 10 U C5 C 13 106.702 0.20 . 1 . . . . . . . . 4780 1 122 . 1 1 10 10 U C6 C 13 142.724 0.20 . 1 . . . . . . . . 4780 1 123 . 1 1 10 10 U H1' H 1 5.804 0.02 . 1 . . . . . . . . 4780 1 124 . 1 1 10 10 U H2' H 1 4.348 0.02 . 1 . . . . . . . . 4780 1 125 . 1 1 10 10 U H3' H 1 4.782 0.02 . 1 . . . . . . . . 4780 1 126 . 1 1 10 10 U H4' H 1 4.118 0.02 . 1 . . . . . . . . 4780 1 127 . 1 1 10 10 U H5' H 1 3.581 0.02 . 1 . . . . . . . . 4780 1 128 . 1 1 10 10 U H5'' H 1 3.930 0.02 . 1 . . . . . . . . 4780 1 129 . 1 1 10 10 U C1' C 13 90.048 0.20 . 1 . . . . . . . . 4780 1 130 . 1 1 10 10 U C2' C 13 77.469 0.20 . 1 . . . . . . . . 4780 1 131 . 1 1 10 10 U C3' C 13 80.133 0.20 . 1 . . . . . . . . 4780 1 132 . 1 1 10 10 U C4' C 13 85.745 0.20 . 1 . . . . . . . . 4780 1 133 . 1 1 10 10 U C5' C 13 67.755 0.20 . 1 . . . . . . . . 4780 1 134 . 1 1 11 11 G H8 H 1 8.328 0.02 . 1 . . . . . . . . 4780 1 135 . 1 1 11 11 G C8 C 13 140.198 0.20 . 1 . . . . . . . . 4780 1 136 . 1 1 11 11 G H1' H 1 5.844 0.02 . 1 . . . . . . . . 4780 1 137 . 1 1 11 11 G H2' H 1 5.126 0.02 . 1 . . . . . . . . 4780 1 138 . 1 1 11 11 G H3' H 1 5.069 0.02 . 1 . . . . . . . . 4780 1 139 . 1 1 11 11 G H4' H 1 4.841 0.02 . 1 . . . . . . . . 4780 1 140 . 1 1 11 11 G H5' H 1 4.249 0.02 . 1 . . . . . . . . 4780 1 141 . 1 1 11 11 G H5'' H 1 3.997 0.02 . 1 . . . . . . . . 4780 1 142 . 1 1 11 11 G C1' C 13 90.547 0.20 . 1 . . . . . . . . 4780 1 143 . 1 1 11 11 G C2' C 13 75.376 0.20 . 1 . . . . . . . . 4780 1 144 . 1 1 11 11 G C3' C 13 79.486 0.20 . 1 . . . . . . . . 4780 1 145 . 1 1 11 11 G C4' C 13 86.861 0.20 . 1 . . . . . . . . 4780 1 146 . 1 1 11 11 G C5' C 13 69.172 0.20 . 1 . . . . . . . . 4780 1 147 . 1 1 12 12 A H2 H 1 7.584 0.02 . 1 . . . . . . . . 4780 1 148 . 1 1 12 12 A H8 H 1 8.653 0.02 . 1 . . . . . . . . 4780 1 149 . 1 1 12 12 A C2 C 13 153.023 0.20 . 1 . . . . . . . . 4780 1 150 . 1 1 12 12 A C8 C 13 141.359 0.20 . 1 . . . . . . . . 4780 1 151 . 1 1 12 12 A H1' H 1 5.874 0.02 . 1 . . . . . . . . 4780 1 152 . 1 1 12 12 A H2' H 1 4.979 0.02 . 1 . . . . . . . . 4780 1 153 . 1 1 12 12 A H3' H 1 4.711 0.02 . 1 . . . . . . . . 4780 1 154 . 1 1 12 12 A H4' H 1 4.631 0.02 . 1 . . . . . . . . 4780 1 155 . 1 1 12 12 A H5' H 1 4.357 0.02 . 1 . . . . . . . . 4780 1 156 . 1 1 12 12 A H5'' H 1 4.328 0.02 . 1 . . . . . . . . 4780 1 157 . 1 1 12 12 A C1' C 13 91.436 0.20 . 1 . . . . . . . . 4780 1 158 . 1 1 12 12 A C2' C 13 75.663 0.20 . 1 . . . . . . . . 4780 1 159 . 1 1 12 12 A C3' C 13 74.516 0.20 . 1 . . . . . . . . 4780 1 160 . 1 1 12 12 A C4' C 13 82.661 0.20 . 1 . . . . . . . . 4780 1 161 . 1 1 12 12 A C5' C 13 68.775 0.20 . 1 . . . . . . . . 4780 1 162 . 1 1 13 13 G H1 H 1 13.244 0.02 . 1 . . . . . . . . 4780 1 163 . 1 1 13 13 G H8 H 1 7.266 0.02 . 1 . . . . . . . . 4780 1 164 . 1 1 13 13 G C8 C 13 136.529 0.20 . 1 . . . . . . . . 4780 1 165 . 1 1 13 13 G H1' H 1 5.557 0.02 . 1 . . . . . . . . 4780 1 166 . 1 1 13 13 G H2' H 1 4.512 0.02 . 1 . . . . . . . . 4780 1 167 . 1 1 13 13 G H3' H 1 4.407 0.02 . 1 . . . . . . . . 4780 1 168 . 1 1 13 13 G H4' H 1 4.502 0.02 . 1 . . . . . . . . 4780 1 169 . 1 1 13 13 G C1' C 13 93.304 0.20 . 1 . . . . . . . . 4780 1 170 . 1 1 13 13 G C2' C 13 75.155 0.20 . 1 . . . . . . . . 4780 1 171 . 1 1 13 13 G C3' C 13 73.762 0.20 . 1 . . . . . . . . 4780 1 172 . 1 1 13 13 G C4' C 13 82.988 0.20 . 1 . . . . . . . . 4780 1 173 . 1 1 14 14 U H5 H 1 5.198 0.02 . 1 . . . . . . . . 4780 1 174 . 1 1 14 14 U H6 H 1 7.688 0.02 . 1 . . . . . . . . 4780 1 175 . 1 1 14 14 U C5 C 13 103.995 0.20 . 1 . . . . . . . . 4780 1 176 . 1 1 14 14 U C6 C 13 142.166 0.20 . 1 . . . . . . . . 4780 1 177 . 1 1 14 14 U H1' H 1 5.880 0.02 . 1 . . . . . . . . 4780 1 178 . 1 1 14 14 U H2' H 1 4.297 0.02 . 1 . . . . . . . . 4780 1 179 . 1 1 14 14 U H3' H 1 4.660 0.02 . 1 . . . . . . . . 4780 1 180 . 1 1 14 14 U H4' H 1 4.478 0.02 . 1 . . . . . . . . 4780 1 181 . 1 1 14 14 U C1' C 13 91.656 0.20 . 1 . . . . . . . . 4780 1 182 . 1 1 14 14 U C2' C 13 76.369 0.20 . 1 . . . . . . . . 4780 1 183 . 1 1 14 14 U C3' C 13 75.485 0.20 . 1 . . . . . . . . 4780 1 184 . 1 1 14 14 U C4' C 13 84.640 0.20 . 1 . . . . . . . . 4780 1 185 . 1 1 15 15 A H2 H 1 8.016 0.02 . 1 . . . . . . . . 4780 1 186 . 1 1 15 15 A H8 H 1 8.393 0.02 . 1 . . . . . . . . 4780 1 187 . 1 1 15 15 A C2 C 13 155.399 0.20 . 1 . . . . . . . . 4780 1 188 . 1 1 15 15 A C8 C 13 141.795 0.20 . 1 . . . . . . . . 4780 1 189 . 1 1 15 15 A H1' H 1 6.119 0.02 . 1 . . . . . . . . 4780 1 190 . 1 1 15 15 A H2' H 1 4.752 0.02 . 1 . . . . . . . . 4780 1 191 . 1 1 15 15 A H3' H 1 4.833 0.02 . 1 . . . . . . . . 4780 1 192 . 1 1 15 15 A H4' H 1 4.571 0.02 . 1 . . . . . . . . 4780 1 193 . 1 1 15 15 A H5' H 1 4.331 0.02 . 1 . . . . . . . . 4780 1 194 . 1 1 15 15 A H5'' H 1 4.201 0.02 . 1 . . . . . . . . 4780 1 195 . 1 1 15 15 A C1' C 13 90.481 0.20 . 1 . . . . . . . . 4780 1 196 . 1 1 15 15 A C2' C 13 76.156 0.20 . 1 . . . . . . . . 4780 1 197 . 1 1 15 15 A C3' C 13 75.979 0.20 . 1 . . . . . . . . 4780 1 198 . 1 1 15 15 A C4' C 13 84.785 0.20 . 1 . . . . . . . . 4780 1 199 . 1 1 15 15 A C5' C 13 67.039 0.20 . 1 . . . . . . . . 4780 1 200 . 1 1 16 16 C H41 H 1 8.141 0.02 . 1 . . . . . . . . 4780 1 201 . 1 1 16 16 C H42 H 1 6.855 0.02 . 1 . . . . . . . . 4780 1 202 . 1 1 16 16 C H5 H 1 5.640 0.02 . 1 . . . . . . . . 4780 1 203 . 1 1 16 16 C H6 H 1 7.682 0.02 . 1 . . . . . . . . 4780 1 204 . 1 1 16 16 C C5 C 13 98.405 0.20 . 1 . . . . . . . . 4780 1 205 . 1 1 16 16 C C6 C 13 142.072 0.20 . 1 . . . . . . . . 4780 1 206 . 1 1 16 16 C H1' H 1 5.562 0.02 . 1 . . . . . . . . 4780 1 207 . 1 1 16 16 C C1' C 13 93.940 0.20 . 1 . . . . . . . . 4780 1 208 . 1 1 17 17 G H1 H 1 12.790 0.02 . 1 . . . . . . . . 4780 1 209 . 1 1 17 17 G H8 H 1 7.725 0.02 . 1 . . . . . . . . 4780 1 210 . 1 1 17 17 G C8 C 13 136.853 0.20 . 1 . . . . . . . . 4780 1 211 . 1 1 17 17 G H1' H 1 5.745 0.02 . 1 . . . . . . . . 4780 1 212 . 1 1 17 17 G H2' H 1 4.592 0.02 . 1 . . . . . . . . 4780 1 213 . 1 1 17 17 G H5' H 1 4.515 0.02 . 1 . . . . . . . . 4780 1 214 . 1 1 17 17 G H5'' H 1 4.165 0.02 . 1 . . . . . . . . 4780 1 215 . 1 1 17 17 G C1' C 13 93.046 0.20 . 1 . . . . . . . . 4780 1 216 . 1 1 17 17 G C2' C 13 75.061 0.20 . 1 . . . . . . . . 4780 1 217 . 1 1 17 17 G C5' C 13 65.894 0.20 . 1 . . . . . . . . 4780 1 218 . 1 1 18 18 C H41 H 1 8.552 0.02 . 1 . . . . . . . . 4780 1 219 . 1 1 18 18 C H42 H 1 6.933 0.02 . 1 . . . . . . . . 4780 1 220 . 1 1 18 18 C H5 H 1 5.211 0.02 . 1 . . . . . . . . 4780 1 221 . 1 1 18 18 C H6 H 1 7.711 0.02 . 1 . . . . . . . . 4780 1 222 . 1 1 18 18 C H1' H 1 5.560 0.02 . 1 . . . . . . . . 4780 1 223 . 1 1 18 18 C C1' C 13 94.228 0.20 . 1 . . . . . . . . 4780 1 224 . 1 1 19 19 C H41 H 1 8.377 0.02 . 1 . . . . . . . . 4780 1 225 . 1 1 19 19 C H42 H 1 7.055 0.02 . 1 . . . . . . . . 4780 1 226 . 1 1 19 19 C H5 H 1 5.512 0.02 . 1 . . . . . . . . 4780 1 227 . 1 1 19 19 C H6 H 1 7.675 0.02 . 1 . . . . . . . . 4780 1 228 . 1 1 19 19 C C5 C 13 98.211 0.20 . 1 . . . . . . . . 4780 1 229 . 1 1 19 19 C C6 C 13 141.690 0.20 . 1 . . . . . . . . 4780 1 230 . 1 1 19 19 C H1' H 1 5.763 0.02 . 1 . . . . . . . . 4780 1 231 . 1 1 19 19 C H2' H 1 4.010 0.02 . 1 . . . . . . . . 4780 1 232 . 1 1 19 19 C H3' H 1 4.175 0.02 . 1 . . . . . . . . 4780 1 233 . 1 1 19 19 C H4' H 1 4.165 0.02 . 1 . . . . . . . . 4780 1 234 . 1 1 19 19 C H5' H 1 4.486 0.02 . 1 . . . . . . . . 4780 1 235 . 1 1 19 19 C H5'' H 1 4.032 0.02 . 1 . . . . . . . . 4780 1 236 . 1 1 19 19 C C1' C 13 92.942 0.20 . 1 . . . . . . . . 4780 1 237 . 1 1 19 19 C C2' C 13 77.547 0.20 . 1 . . . . . . . . 4780 1 238 . 1 1 19 19 C C3' C 13 69.650 0.20 . 1 . . . . . . . . 4780 1 239 . 1 1 19 19 C C4' C 13 83.371 0.20 . 1 . . . . . . . . 4780 1 240 . 1 1 19 19 C C5' C 13 65.043 0.20 . 1 . . . . . . . . 4780 1 stop_ save_