################################### # 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 5371 _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 . 5371 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 5.834 0.001 . . . . . . . . . . 5371 1 2 . 1 1 1 1 G H2' H 1 4.969 0.013 . . . . . . . . . . 5371 1 3 . 1 1 1 1 G H3' H 1 4.756 0.001 . . . . . . . . . . 5371 1 4 . 1 1 1 1 G H4' H 1 4.553 0.001 . . . . . . . . . . 5371 1 5 . 1 1 1 1 G H5' H 1 4.441 0.009 . . . . . . . . . . 5371 1 6 . 1 1 1 1 G H5'' H 1 4.268 0.007 . . . . . . . . . . 5371 1 7 . 1 1 1 1 G H8 H 1 8.169 0.001 . . . . . . . . . . 5371 1 8 . 1 1 1 1 G H1 H 1 12.852 0.014 . . . . . . . . . . 5371 1 9 . 1 1 1 1 G C8 C 13 138.7 0.020 . . . . . . . . . . 5371 1 10 . 1 1 1 1 G N1 N 15 146.9 0.020 . . . . . . . . . . 5371 1 11 . 1 1 2 2 G H1' H 1 5.933 0.003 . . . . . . . . . . 5371 1 12 . 1 1 2 2 G H2' H 1 4.592 0.001 . . . . . . . . . . 5371 1 13 . 1 1 2 2 G H3' H 1 4.559 0.006 . . . . . . . . . . 5371 1 14 . 1 1 2 2 G H4' H 1 4.534 0.006 . . . . . . . . . . 5371 1 15 . 1 1 2 2 G H5' H 1 4.502 0.010 . . . . . . . . . . 5371 1 16 . 1 1 2 2 G H5'' H 1 4.245 0.005 . . . . . . . . . . 5371 1 17 . 1 1 2 2 G H8 H 1 7.588 0.003 . . . . . . . . . . 5371 1 18 . 1 1 2 2 G H1 H 1 13.454 0.005 . . . . . . . . . . 5371 1 19 . 1 1 2 2 G H21 H 1 8.594 0.000 . . . . . . . . . . 5371 1 20 . 1 1 2 2 G H22 H 1 6.188 0.000 . . . . . . . . . . 5371 1 21 . 1 1 2 2 G N1 N 15 148 0.020 . . . . . . . . . . 5371 1 22 . 1 1 3 3 U H1' H 1 5.606 0.005 . . . . . . . . . . 5371 1 23 . 1 1 3 3 U H2' H 1 4.531 0.017 . . . . . . . . . . 5371 1 24 . 1 1 3 3 U H3' H 1 4.537 0.007 . . . . . . . . . . 5371 1 25 . 1 1 3 3 U H4' H 1 4.450 0.000 . . . . . . . . . . 5371 1 26 . 1 1 3 3 U H5 H 1 5.147 0.003 . . . . . . . . . . 5371 1 27 . 1 1 3 3 U H5' H 1 4.590 0.001 . . . . . . . . . . 5371 1 28 . 1 1 3 3 U H5'' H 1 4.148 0.007 . . . . . . . . . . 5371 1 29 . 1 1 3 3 U H6 H 1 7.828 0.009 . . . . . . . . . . 5371 1 30 . 1 1 3 3 U H3 H 1 14.458 0.005 . . . . . . . . . . 5371 1 31 . 1 1 3 3 U C6 C 13 141.1 0.020 . . . . . . . . . . 5371 1 32 . 1 1 3 3 U C5 C 13 102.3 0.020 . . . . . . . . . . 5371 1 33 . 1 1 3 3 U N3 N 15 162.3 0.020 . . . . . . . . . . 5371 1 34 . 1 1 4 4 U H1' H 1 5.694 0.007 . . . . . . . . . . 5371 1 35 . 1 1 4 4 U H2' H 1 4.513 0.008 . . . . . . . . . . 5371 1 36 . 1 1 4 4 U H3' H 1 4.526 0.001 . . . . . . . . . . 5371 1 37 . 1 1 4 4 U H4' H 1 4.507 0.000 . . . . . . . . . . 5371 1 38 . 1 1 4 4 U H5 H 1 5.631 0.006 . . . . . . . . . . 5371 1 39 . 1 1 4 4 U H5' H 1 4.554 0.005 . . . . . . . . . . 5371 1 40 . 1 1 4 4 U H5'' H 1 4.141 0.001 . . . . . . . . . . 5371 1 41 . 1 1 4 4 U H6 H 1 8.028 0.003 . . . . . . . . . . 5371 1 42 . 1 1 4 4 U H3 H 1 13.795 0.005 . . . . . . . . . . 5371 1 43 . 1 1 4 4 U N3 N 15 162.4 0.020 . . . . . . . . . . 5371 1 44 . 1 1 4 4 U C6 C 13 142 0.020 . . . . . . . . . . 5371 1 45 . 1 1 4 4 U C5 C 13 102.7 0.020 . . . . . . . . . . 5371 1 46 . 1 1 5 5 C H1' H 1 5.599 0.006 . . . . . . . . . . 5371 1 47 . 1 1 5 5 C H2' H 1 4.275 0.002 . . . . . . . . . . 5371 1 48 . 1 1 5 5 C H3' H 1 4.466 0.007 . . . . . . . . . . 5371 1 49 . 1 1 5 5 C H4' H 1 4.460 0.000 . . . . . . . . . . 5371 1 50 . 1 1 5 5 C H5 H 1 5.734 0.021 . . . . . . . . . . 5371 1 51 . 1 1 5 5 C H5' H 1 4.562 0.007 . . . . . . . . . . 5371 1 52 . 1 1 5 5 C H5'' H 1 4.130 0.004 . . . . . . . . . . 5371 1 53 . 1 1 5 5 C H6 H 1 7.859 0.007 . . . . . . . . . . 5371 1 54 . 1 1 5 5 C H41 H 1 8.438 0.001 . . . . . . . . . . 5371 1 55 . 1 1 5 5 C H42 H 1 7.130 0.000 . . . . . . . . . . 5371 1 56 . 1 1 5 5 C C6 C 13 141.4 0.020 . . . . . . . . . . 5371 1 57 . 1 1 5 5 C C5 C 13 97.1 0.020 . . . . . . . . . . 5371 1 58 . 1 1 5 5 C N4 N 15 98.4 0.020 . . . . . . . . . . 5371 1 59 . 1 1 6 6 C H3' H 1 4.601 0.003 . . . . . . . . . . 5371 1 60 . 1 1 6 6 C H4' H 1 4.354 0.001 . . . . . . . . . . 5371 1 61 . 1 1 6 6 C H5 H 1 5.656 0.004 . . . . . . . . . . 5371 1 62 . 1 1 6 6 C H5' H 1 4.550 0.002 . . . . . . . . . . 5371 1 63 . 1 1 6 6 C H5'' H 1 4.109 0.010 . . . . . . . . . . 5371 1 64 . 1 1 6 6 C H6 H 1 7.773 0.004 . . . . . . . . . . 5371 1 65 . 1 1 6 6 C C6 C 13 141.5 0.020 . . . . . . . . . . 5371 1 66 . 1 1 6 6 C C5 C 13 97 0.020 . . . . . . . . . . 5371 1 67 . 1 1 7 7 C H1' H 1 5.413 0.003 . . . . . . . . . . 5371 1 68 . 1 1 7 7 C H2' H 1 4.397 0.006 . . . . . . . . . . 5371 1 69 . 1 1 7 7 C H3' H 1 4.519 0.006 . . . . . . . . . . 5371 1 70 . 1 1 7 7 C H4' H 1 4.417 0.004 . . . . . . . . . . 5371 1 71 . 1 1 7 7 C H5 H 1 5.721 0.004 . . . . . . . . . . 5371 1 72 . 1 1 7 7 C H5' H 1 4.470 0.002 . . . . . . . . . . 5371 1 73 . 1 1 7 7 C H5'' H 1 4.063 0.014 . . . . . . . . . . 5371 1 74 . 1 1 7 7 C H6 H 1 7.907 0.003 . . . . . . . . . . 5371 1 75 . 1 1 7 7 C H41 H 1 8.452 0.000 . . . . . . . . . . 5371 1 76 . 1 1 7 7 C H42 H 1 7.155 0.002 . . . . . . . . . . 5371 1 77 . 1 1 7 7 C C6 C 13 140.7 0.020 . . . . . . . . . . 5371 1 78 . 1 1 7 7 C C5 C 13 97 0.020 . . . . . . . . . . 5371 1 79 . 1 1 7 7 C N4 N 15 97.4 0.020 . . . . . . . . . . 5371 1 80 . 1 1 8 8 C H1' H 1 5.391 0.005 . . . . . . . . . . 5371 1 81 . 1 1 8 8 C H2' H 1 4.288 0.005 . . . . . . . . . . 5371 1 82 . 1 1 8 8 C H3' H 1 4.325 0.005 . . . . . . . . . . 5371 1 83 . 1 1 8 8 C H4' H 1 4.369 0.004 . . . . . . . . . . 5371 1 84 . 1 1 8 8 C H5 H 1 5.538 0.005 . . . . . . . . . . 5371 1 85 . 1 1 8 8 C H5' H 1 4.482 0.007 . . . . . . . . . . 5371 1 86 . 1 1 8 8 C H5'' H 1 4.005 0.006 . . . . . . . . . . 5371 1 87 . 1 1 8 8 C H6 H 1 7.770 0.006 . . . . . . . . . . 5371 1 88 . 1 1 8 8 C H41 H 1 8.404 0.000 . . . . . . . . . . 5371 1 89 . 1 1 8 8 C H42 H 1 6.977 0.007 . . . . . . . . . . 5371 1 90 . 1 1 8 8 C C6 C 13 141.5 0.020 . . . . . . . . . . 5371 1 91 . 1 1 8 8 C C5 C 13 97.3 0.020 . . . . . . . . . . 5371 1 92 . 1 1 8 8 C N4 N 15 97.3 0.020 . . . . . . . . . . 5371 1 93 . 1 1 9 9 U H1' H 1 5.582 0.003 . . . . . . . . . . 5371 1 94 . 1 1 9 9 U H2' H 1 4.477 0.004 . . . . . . . . . . 5371 1 95 . 1 1 9 9 U H3' H 1 4.353 0.007 . . . . . . . . . . 5371 1 96 . 1 1 9 9 U H5 H 1 5.303 0.004 . . . . . . . . . . 5371 1 97 . 1 1 9 9 U H5' H 1 4.497 0.020 . . . . . . . . . . 5371 1 98 . 1 1 9 9 U H5'' H 1 4.085 0.004 . . . . . . . . . . 5371 1 99 . 1 1 9 9 U H6 H 1 7.621 0.005 . . . . . . . . . . 5371 1 100 . 1 1 9 9 U H4' H 1 4.450 0.000 . . . . . . . . . . 5371 1 101 . 1 1 9 9 U H3 H 1 13.691 0.009 . . . . . . . . . . 5371 1 102 . 1 1 9 9 U C6 C 13 140.1 0.020 . . . . . . . . . . 5371 1 103 . 1 1 9 9 U C5 C 13 103.6 0.020 . . . . . . . . . . 5371 1 104 . 1 1 9 9 U N3 N 15 160.7 0.020 . . . . . . . . . . 5371 1 105 . 1 1 10 10 G H1' H 1 5.552 0.004 . . . . . . . . . . 5371 1 106 . 1 1 10 10 G H2' H 1 4.418 0.001 . . . . . . . . . . 5371 1 107 . 1 1 10 10 G H3' H 1 4.530 0.002 . . . . . . . . . . 5371 1 108 . 1 1 10 10 G H4' H 1 4.386 0.006 . . . . . . . . . . 5371 1 109 . 1 1 10 10 G H5' H 1 4.336 0.006 . . . . . . . . . . 5371 1 110 . 1 1 10 10 G H5'' H 1 4.083 0.004 . . . . . . . . . . 5371 1 111 . 1 1 10 10 G H8 H 1 7.677 0.003 . . . . . . . . . . 5371 1 112 . 1 1 10 10 G H1 H 1 10.881 0.010 . . . . . . . . . . 5371 1 113 . 1 1 10 10 G H22 H 1 7.131 0.000 . . . . . . . . . . 5371 1 114 . 1 1 10 10 G C8 C 13 136.6 0.020 . . . . . . . . . . 5371 1 115 . 1 1 10 10 G N1 N 15 145.8 0.020 . . . . . . . . . . 5371 1 116 . 1 1 11 11 C H1' H 1 5.279 0.004 . . . . . . . . . . 5371 1 117 . 1 1 11 11 C H2' H 1 3.900 0.003 . . . . . . . . . . 5371 1 118 . 1 1 11 11 C H3' H 1 4.214 0.007 . . . . . . . . . . 5371 1 119 . 1 1 11 11 C H4' H 1 3.875 0.012 . . . . . . . . . . 5371 1 120 . 1 1 11 11 C H5 H 1 5.493 0.003 . . . . . . . . . . 5371 1 121 . 1 1 11 11 C H5' H 1 4.067 0.013 . . . . . . . . . . 5371 1 122 . 1 1 11 11 C H5'' H 1 3.856 0.017 . . . . . . . . . . 5371 1 123 . 1 1 11 11 C H6 H 1 7.462 0.006 . . . . . . . . . . 5371 1 124 . 1 1 11 11 C C6 C 13 141.8 0.020 . . . . . . . . . . 5371 1 125 . 1 1 11 11 C C5 C 13 97.4 0.020 . . . . . . . . . . 5371 1 126 . 1 1 12 12 A H1' H 1 5.952 0.002 . . . . . . . . . . 5371 1 127 . 1 1 12 12 A H2 H 1 8.042 0.000 . . . . . . . . . . 5371 1 128 . 1 1 12 12 A H2' H 1 4.698 0.007 . . . . . . . . . . 5371 1 129 . 1 1 12 12 A H3' H 1 4.713 0.002 . . . . . . . . . . 5371 1 130 . 1 1 12 12 A H4' H 1 4.403 0.005 . . . . . . . . . . 5371 1 131 . 1 1 12 12 A H5' H 1 4.078 0.003 . . . . . . . . . . 5371 1 132 . 1 1 12 12 A H5'' H 1 3.961 0.009 . . . . . . . . . . 5371 1 133 . 1 1 12 12 A H8 H 1 8.217 0.004 . . . . . . . . . . 5371 1 134 . 1 1 12 12 A C8 C 13 141.4 0.020 . . . . . . . . . . 5371 1 135 . 1 1 12 12 A C2 C 13 156.6 0.020 . . . . . . . . . . 5371 1 136 . 1 1 13 13 U H1' H 1 5.904 0.003 . . . . . . . . . . 5371 1 137 . 1 1 13 13 U H2' H 1 4.423 0.008 . . . . . . . . . . 5371 1 138 . 1 1 13 13 U H3' H 1 4.706 0.003 . . . . . . . . . . 5371 1 139 . 1 1 13 13 U H4' H 1 4.458 0.001 . . . . . . . . . . 5371 1 140 . 1 1 13 13 U H5 H 1 5.843 0.003 . . . . . . . . . . 5371 1 141 . 1 1 13 13 U H5' H 1 4.221 0.004 . . . . . . . . . . 5371 1 142 . 1 1 13 13 U H5'' H 1 4.181 0.001 . . . . . . . . . . 5371 1 143 . 1 1 13 13 U H6 H 1 7.782 0.004 . . . . . . . . . . 5371 1 144 . 1 1 13 13 U C6 C 13 143.3 0.020 . . . . . . . . . . 5371 1 145 . 1 1 13 13 U C5 C 13 104.7 0.020 . . . . . . . . . . 5371 1 146 . 1 1 14 14 A H1' H 1 5.951 0.001 . . . . . . . . . . 5371 1 147 . 1 1 14 14 A H2 H 1 8.112 0.001 . . . . . . . . . . 5371 1 148 . 1 1 14 14 A H2' H 1 4.851 0.001 . . . . . . . . . . 5371 1 149 . 1 1 14 14 A H3' H 1 4.597 0.005 . . . . . . . . . . 5371 1 150 . 1 1 14 14 A H4' H 1 4.621 0.014 . . . . . . . . . . 5371 1 151 . 1 1 14 14 A H5' H 1 4.360 0.004 . . . . . . . . . . 5371 1 152 . 1 1 14 14 A H5'' H 1 4.237 0.005 . . . . . . . . . . 5371 1 153 . 1 1 14 14 A H8 H 1 8.042 0.006 . . . . . . . . . . 5371 1 154 . 1 1 14 14 A C8 C 13 139.6 0.020 . . . . . . . . . . 5371 1 155 . 1 1 14 14 A C2 C 13 154.8 0.020 . . . . . . . . . . 5371 1 156 . 1 1 15 15 A H2 H 1 7.595 0.001 . . . . . . . . . . 5371 1 157 . 1 1 15 15 A H2' H 1 4.671 0.000 . . . . . . . . . . 5371 1 158 . 1 1 15 15 A H3' H 1 4.481 0.007 . . . . . . . . . . 5371 1 159 . 1 1 15 15 A H4' H 1 4.471 0.006 . . . . . . . . . . 5371 1 160 . 1 1 15 15 A H5' H 1 4.371 0.006 . . . . . . . . . . 5371 1 161 . 1 1 15 15 A H5'' H 1 4.300 0.003 . . . . . . . . . . 5371 1 162 . 1 1 15 15 A H8 H 1 8.042 0.005 . . . . . . . . . . 5371 1 163 . 1 1 15 15 A H62 H 1 6.633 0.009 . . . . . . . . . . 5371 1 164 . 1 1 15 15 A C8 C 13 141.3 0.020 . . . . . . . . . . 5371 1 165 . 1 1 15 15 A C2 C 13 153 0.020 . . . . . . . . . . 5371 1 166 . 1 1 16 16 G H1' H 1 5.583 0.006 . . . . . . . . . . 5371 1 167 . 1 1 16 16 G H2' H 1 4.498 0.006 . . . . . . . . . . 5371 1 168 . 1 1 16 16 G H3' H 1 4.506 0.004 . . . . . . . . . . 5371 1 169 . 1 1 16 16 G H4' H 1 4.402 0.023 . . . . . . . . . . 5371 1 170 . 1 1 16 16 G H5' H 1 4.366 0.009 . . . . . . . . . . 5371 1 171 . 1 1 16 16 G H5'' H 1 4.057 0.004 . . . . . . . . . . 5371 1 172 . 1 1 16 16 G H8 H 1 7.089 0.003 . . . . . . . . . . 5371 1 173 . 1 1 16 16 G H1 H 1 12.746 0.008 . . . . . . . . . . 5371 1 174 . 1 1 16 16 G H22 H 1 6.094 0.000 . . . . . . . . . . 5371 1 175 . 1 1 16 16 G C8 C 13 135.4 0.020 . . . . . . . . . . 5371 1 176 . 1 1 16 16 G N1 N 15 146.7 0.020 . . . . . . . . . . 5371 1 177 . 1 1 17 17 G H1' H 1 5.716 0.005 . . . . . . . . . . 5371 1 178 . 1 1 17 17 G H2' H 1 4.457 0.001 . . . . . . . . . . 5371 1 179 . 1 1 17 17 G H3' H 1 4.505 0.005 . . . . . . . . . . 5371 1 180 . 1 1 17 17 G H4' H 1 4.408 0.003 . . . . . . . . . . 5371 1 181 . 1 1 17 17 G H5' H 1 4.470 0.001 . . . . . . . . . . 5371 1 182 . 1 1 17 17 G H5'' H 1 4.050 0.002 . . . . . . . . . . 5371 1 183 . 1 1 17 17 G H8 H 1 7.211 0.004 . . . . . . . . . . 5371 1 184 . 1 1 17 17 G H1 H 1 12.665 0.005 . . . . . . . . . . 5371 1 185 . 1 1 17 17 G C8 C 13 135.8 0.020 . . . . . . . . . . 5371 1 186 . 1 1 17 17 G N1 N 15 147.7 0.020 . . . . . . . . . . 5371 1 187 . 1 1 18 18 A H1' H 1 5.922 0.004 . . . . . . . . . . 5371 1 188 . 1 1 18 18 A H2 H 1 7.776 0.000 . . . . . . . . . . 5371 1 189 . 1 1 18 18 A H2' H 1 4.457 0.011 . . . . . . . . . . 5371 1 190 . 1 1 18 18 A H3' H 1 4.350 0.007 . . . . . . . . . . 5371 1 191 . 1 1 18 18 A H4' H 1 4.462 0.001 . . . . . . . . . . 5371 1 192 . 1 1 18 18 A H5' H 1 4.395 0.007 . . . . . . . . . . 5371 1 193 . 1 1 18 18 A H5'' H 1 4.029 0.014 . . . . . . . . . . 5371 1 194 . 1 1 18 18 A H8 H 1 7.706 0.007 . . . . . . . . . . 5371 1 195 . 1 1 18 18 A C8 C 13 139.3 0.020 . . . . . . . . . . 5371 1 196 . 1 1 18 18 A C2 C 13 153.7 0.020 . . . . . . . . . . 5371 1 197 . 1 1 19 19 U H1' H 1 5.300 0.003 . . . . . . . . . . 5371 1 198 . 1 1 19 19 U H2' H 1 4.094 0.007 . . . . . . . . . . 5371 1 199 . 1 1 19 19 U H3' H 1 4.363 0.002 . . . . . . . . . . 5371 1 200 . 1 1 19 19 U H4' H 1 4.300 0.009 . . . . . . . . . . 5371 1 201 . 1 1 19 19 U H5 H 1 5.190 0.004 . . . . . . . . . . 5371 1 202 . 1 1 19 19 U H5' H 1 4.322 0.006 . . . . . . . . . . 5371 1 203 . 1 1 19 19 U H5'' H 1 4.026 0.001 . . . . . . . . . . 5371 1 204 . 1 1 19 19 U H6 H 1 7.281 0.002 . . . . . . . . . . 5371 1 205 . 1 1 19 19 U C6 C 13 140.7 0.020 . . . . . . . . . . 5371 1 206 . 1 1 19 19 U C5 C 13 103.2 0.020 . . . . . . . . . . 5371 1 207 . 1 1 20 20 G H1' H 1 5.738 0.003 . . . . . . . . . . 5371 1 208 . 1 1 20 20 G H2' H 1 4.745 0.002 . . . . . . . . . . 5371 1 209 . 1 1 20 20 G H3' H 1 4.610 0.007 . . . . . . . . . . 5371 1 210 . 1 1 20 20 G H4' H 1 4.467 0.000 . . . . . . . . . . 5371 1 211 . 1 1 20 20 G H5' H 1 4.322 0.006 . . . . . . . . . . 5371 1 212 . 1 1 20 20 G H5'' H 1 4.114 0.019 . . . . . . . . . . 5371 1 213 . 1 1 20 20 G H8 H 1 7.678 0.014 . . . . . . . . . . 5371 1 214 . 1 1 20 20 G H1 H 1 12.492 0.006 . . . . . . . . . . 5371 1 215 . 1 1 20 20 G H21 H 1 7.920 0.000 . . . . . . . . . . 5371 1 216 . 1 1 20 20 G H22 H 1 5.937 0.002 . . . . . . . . . . 5371 1 217 . 1 1 20 20 G C8 C 13 136.7 0.020 . . . . . . . . . . 5371 1 218 . 1 1 20 20 G N1 N 15 147 0.020 . . . . . . . . . . 5371 1 219 . 1 1 21 21 A H1' H 1 5.940 0.003 . . . . . . . . . . 5371 1 220 . 1 1 21 21 A H2 H 1 7.190 0.001 . . . . . . . . . . 5371 1 221 . 1 1 21 21 A H2' H 1 4.642 0.001 . . . . . . . . . . 5371 1 222 . 1 1 21 21 A H3' H 1 4.596 0.013 . . . . . . . . . . 5371 1 223 . 1 1 21 21 A H4' H 1 5.288 0.003 . . . . . . . . . . 5371 1 224 . 1 1 21 21 A H5' H 1 4.479 0.007 . . . . . . . . . . 5371 1 225 . 1 1 21 21 A H5'' H 1 4.315 0.004 . . . . . . . . . . 5371 1 226 . 1 1 21 21 A H8 H 1 7.889 0.006 . . . . . . . . . . 5371 1 227 . 1 1 21 21 A H61 H 1 8.069 0.007 . . . . . . . . . . 5371 1 228 . 1 1 21 21 A H62 H 1 6.581 0.003 . . . . . . . . . . 5371 1 229 . 1 1 21 21 A C8 C 13 141.4 0.020 . . . . . . . . . . 5371 1 230 . 1 1 21 21 A C2 C 13 152.5 0.020 . . . . . . . . . . 5371 1 231 . 1 1 22 22 A H1' H 1 5.946 0.002 . . . . . . . . . . 5371 1 232 . 1 1 22 22 A H2 H 1 7.796 0.002 . . . . . . . . . . 5371 1 233 . 1 1 22 22 A H2' H 1 4.506 0.002 . . . . . . . . . . 5371 1 234 . 1 1 22 22 A H3' H 1 4.603 0.001 . . . . . . . . . . 5371 1 235 . 1 1 22 22 A H4' H 1 4.600 0.000 . . . . . . . . . . 5371 1 236 . 1 1 22 22 A H5' H 1 4.601 0.013 . . . . . . . . . . 5371 1 237 . 1 1 22 22 A H5'' H 1 4.136 0.006 . . . . . . . . . . 5371 1 238 . 1 1 22 22 A H8 H 1 7.845 0.005 . . . . . . . . . . 5371 1 239 . 1 1 22 22 A H61 H 1 8.306 0.010 . . . . . . . . . . 5371 1 240 . 1 1 22 22 A H62 H 1 6.734 0.006 . . . . . . . . . . 5371 1 241 . 1 1 22 22 A C8 C 13 140 0.020 . . . . . . . . . . 5371 1 242 . 1 1 22 22 A C2 C 13 153.6 0.020 . . . . . . . . . . 5371 1 243 . 1 1 23 23 C H1' H 1 5.392 0.004 . . . . . . . . . . 5371 1 244 . 1 1 23 23 C H2' H 1 4.111 0.000 . . . . . . . . . . 5371 1 245 . 1 1 23 23 C H3' H 1 4.356 0.009 . . . . . . . . . . 5371 1 246 . 1 1 23 23 C H4' H 1 4.482 0.003 . . . . . . . . . . 5371 1 247 . 1 1 23 23 C H5 H 1 5.178 0.004 . . . . . . . . . . 5371 1 248 . 1 1 23 23 C H5' H 1 4.044 0.013 . . . . . . . . . . 5371 1 249 . 1 1 23 23 C H5'' H 1 4.013 0.010 . . . . . . . . . . 5371 1 250 . 1 1 23 23 C H6 H 1 7.447 0.003 . . . . . . . . . . 5371 1 251 . 1 1 23 23 C H41 H 1 8.388 0.000 . . . . . . . . . . 5371 1 252 . 1 1 23 23 C H42 H 1 7.050 0.002 . . . . . . . . . . 5371 1 253 . 1 1 23 23 C C6 C 13 140.2 0.020 . . . . . . . . . . 5371 1 254 . 1 1 23 23 C C5 C 13 96.6 0.020 . . . . . . . . . . 5371 1 255 . 1 1 23 23 C N4 N 15 98.9 0.020 . . . . . . . . . . 5371 1 256 . 1 1 24 24 C H1' H 1 5.777 0.004 . . . . . . . . . . 5371 1 257 . 1 1 24 24 C H2' H 1 3.999 0.002 . . . . . . . . . . 5371 1 258 . 1 1 24 24 C H3' H 1 4.161 0.000 . . . . . . . . . . 5371 1 259 . 1 1 24 24 C H4' H 1 4.141 0.000 . . . . . . . . . . 5371 1 260 . 1 1 24 24 C H5 H 1 5.453 0.006 . . . . . . . . . . 5371 1 261 . 1 1 24 24 C H5' H 1 4.448 0.004 . . . . . . . . . . 5371 1 262 . 1 1 24 24 C H5'' H 1 4.008 0.008 . . . . . . . . . . 5371 1 263 . 1 1 24 24 C H6 H 1 7.637 0.004 . . . . . . . . . . 5371 1 264 . 1 1 24 24 C C6 C 13 141.5 0.020 . . . . . . . . . . 5371 1 265 . 1 1 24 24 C C5 C 13 97.6 0.020 . . . . . . . . . . 5371 1 266 . 1 1 24 24 C N4 N 15 98.3 0.020 . . . . . . . . . . 5371 1 stop_ save_