################################### # 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16479 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_set _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 '2D 1H-1H NOESY' . . . 16479 1 2 '2D 1H-1H NOESY' . . . 16479 1 3 '2D DQF-COSY' . . . 16479 1 4 '2D 1H-13C HSQC' . . . 16479 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 5.786 0.0009 . 1 . . . . 121 G H1' . 16479 1 2 . 1 1 1 1 G H2' H 1 4.927 0.0050 . 1 . . . . 121 G H2' . 16479 1 3 . 1 1 1 1 G H8 H 1 8.133 0.0004 . 1 . . . . 121 G H8 . 16479 1 4 . 1 1 1 1 G C1' C 13 91.48 0.0050 . 1 . . . . 121 G C1' . 16479 1 5 . 1 1 1 1 G C8 C 13 139.1 0.0050 . 1 . . . . 121 G C8 . 16479 1 6 . 1 1 2 2 G H1 H 1 13.30 0.0014 . 1 . . . . 122 G H1 . 16479 1 7 . 1 1 2 2 G H1' H 1 5.898 0.0011 . 1 . . . . 122 G H1' . 16479 1 8 . 1 1 2 2 G H8 H 1 7.616 0.0015 . 1 . . . . 122 G H8 . 16479 1 9 . 1 1 2 2 G C1' C 13 92.92 0.0050 . 1 . . . . 122 G C1' . 16479 1 10 . 1 1 2 2 G C8 C 13 136.8 0.0050 . 1 . . . . 122 G C8 . 16479 1 11 . 1 1 3 3 C H1' H 1 5.506 0.0013 . 1 . . . . 123 C H1' . 16479 1 12 . 1 1 3 3 C H5 H 1 5.272 0.0029 . 1 . . . . 123 C H5 . 16479 1 13 . 1 1 3 3 C H6 H 1 7.680 0.0037 . 1 . . . . 123 C H6 . 16479 1 14 . 1 1 3 3 C C1' C 13 94.20 0.0050 . 5 . . . . 123 C C1' . 16479 1 15 . 1 1 3 3 C C5 C 13 97.46 0.0050 . 1 . . . . 123 C C5 . 16479 1 16 . 1 1 3 3 C C6 C 13 140.6 0.0050 . 1 . . . . 123 C C6 . 16479 1 17 . 1 1 4 4 A H1' H 1 5.938 0.0007 . 1 . . . . 124 A H1' . 16479 1 18 . 1 1 4 4 A H2 H 1 7.283 0.0018 . 1 . . . . 124 A H2 . 16479 1 19 . 1 1 4 4 A H8 H 1 8.016 0.0047 . 1 . . . . 124 A H8 . 16479 1 20 . 1 1 4 4 A C1' C 13 93.20 0.0050 . 1 . . . . 124 A C1' . 16479 1 21 . 1 1 4 4 A C2 C 13 152.9 0.0050 . 1 . . . . 124 A C2 . 16479 1 22 . 1 1 4 4 A C8 C 13 139.6 0.0050 . 1 . . . . 124 A C8 . 16479 1 23 . 1 1 5 5 U H1' H 1 5.444 0.0010 . 1 . . . . 125 U H1' . 16479 1 24 . 1 1 5 5 U H3 H 1 14.06 0.0008 . 1 . . . . 125 U H3 . 16479 1 25 . 1 1 5 5 U H5 H 1 5.016 0.0007 . 1 . . . . 125 U H5 . 16479 1 26 . 1 1 5 5 U H6 H 1 7.620 0.0020 . 1 . . . . 125 U H6 . 16479 1 27 . 1 1 5 5 U C1' C 13 93.60 0.0050 . 1 . . . . 125 U C1' . 16479 1 28 . 1 1 5 5 U C6 C 13 141.5 0.0050 . 1 . . . . 125 U C6 . 16479 1 29 . 1 1 6 6 U H1' H 1 5.608 0.0010 . 1 . . . . 126 U H1' . 16479 1 30 . 1 1 6 6 U H3 H 1 13.18 0.0011 . 1 . . . . 126 U H3 . 16479 1 31 . 1 1 6 6 U H5 H 1 5.492 0.0021 . 1 . . . . 126 U H5 . 16479 1 32 . 1 1 6 6 U H6 H 1 7.917 0.0013 . 1 . . . . 126 U H6 . 16479 1 33 . 1 1 6 6 U C1' C 13 93.20 0.0050 . 1 . . . . 126 U C1' . 16479 1 34 . 1 1 6 6 U C5 C 13 103.8 0.0050 . 1 . . . . 126 U C5 . 16479 1 35 . 1 1 6 6 U C6 C 13 142.5 0.0050 . 5 . . . . 126 U C6 . 16479 1 36 . 1 1 7 7 G H1 H 1 12.43 0.0004 . 1 . . . . 127 G H1 . 16479 1 37 . 1 1 7 7 G H1' H 1 5.749 0.0006 . 1 . . . . 127 G H1' . 16479 1 38 . 1 1 7 7 G H8 H 1 7.739 0.0012 . 1 . . . . 127 G H8 . 16479 1 39 . 1 1 7 7 G C1' C 13 93.36 0.0050 . 1 . . . . 127 G C1' . 16479 1 40 . 1 1 7 7 G C8 C 13 136.3 0.0050 . 1 . . . . 127 G C8 . 16479 1 41 . 1 1 8 8 C H1' H 1 5.430 0.0010 . 1 . . . . 128 C H1' . 16479 1 42 . 1 1 8 8 C H5 H 1 5.115 0.0028 . 1 . . . . 128 C H5 . 16479 1 43 . 1 1 8 8 C H6 H 1 7.538 0.0010 . 1 . . . . 128 C H6 . 16479 1 44 . 1 1 8 8 C C5 C 13 97.11 0.0050 . 1 . . . . 128 C C5 . 16479 1 45 . 1 1 8 8 C C6 C 13 140.6 0.0050 . 1 . . . . 128 C C6 . 16479 1 46 . 1 1 9 9 U H1' H 1 5.601 0.0018 . 1 . . . . 129 U H1' . 16479 1 47 . 1 1 9 9 U H3 H 1 11.68 0.0019 . 1 . . . . 129 U H3 . 16479 1 48 . 1 1 9 9 U H5 H 1 5.668 0.0014 . 1 . . . . 129 U H5 . 16479 1 49 . 1 1 9 9 U H6 H 1 7.787 0.0014 . 1 . . . . 129 U H6 . 16479 1 50 . 1 1 9 9 U C1' C 13 94.64 0.0050 . 1 . . . . 129 U C1' . 16479 1 51 . 1 1 9 9 U C5 C 13 105.0 0.0050 . 5 . . . . 129 U C5 . 16479 1 52 . 1 1 9 9 U C6 C 13 141.1 0.0050 . 1 . . . . 129 U C6 . 16479 1 53 . 1 1 10 10 U H1' H 1 5.691 0.0009 . 1 . . . . 130 U H1' . 16479 1 54 . 1 1 10 10 U H2' H 1 4.322 0.0050 . 1 . . . . 130 U H2' . 16479 1 55 . 1 1 10 10 U H3 H 1 11.76 0.0012 . 1 . . . . 130 U H3 . 16479 1 56 . 1 1 10 10 U H5 H 1 5.639 0.0012 . 1 . . . . 130 U H5 . 16479 1 57 . 1 1 10 10 U H6 H 1 7.918 0.0029 . 1 . . . . 130 U H6 . 16479 1 58 . 1 1 10 10 U C1' C 13 92.63 0.0050 . 5 . . . . 130 U C1' . 16479 1 59 . 1 1 10 10 U C5 C 13 104.7 0.0050 . 1 . . . . 130 U C5 . 16479 1 60 . 1 1 10 10 U C6 C 13 141.9 0.0050 . 5 . . . . 130 U C6 . 16479 1 61 . 1 1 11 11 G H1 H 1 12.83 0.0005 . 1 . . . . 131 G H1 . 16479 1 62 . 1 1 11 11 G H1' H 1 5.698 0.0013 . 1 . . . . 131 G H1' . 16479 1 63 . 1 1 11 11 G H8 H 1 7.965 0.0018 . 1 . . . . 131 G H8 . 16479 1 64 . 1 1 11 11 G C1' C 13 92.66 0.0050 . 5 . . . . 131 G C1' . 16479 1 65 . 1 1 11 11 G C8 C 13 137.7 0.0050 . 1 . . . . 131 G C8 . 16479 1 66 . 1 1 12 12 C H1' H 1 5.508 0.0008 . 1 . . . . 132 C H1' . 16479 1 67 . 1 1 12 12 C H5 H 1 5.229 0.0011 . 1 . . . . 132 C H5 . 16479 1 68 . 1 1 12 12 C H6 H 1 7.710 0.0019 . 1 . . . . 132 C H6 . 16479 1 69 . 1 1 12 12 C C1' C 13 92.66 0.0050 . 5 . . . . 132 C C1' . 16479 1 70 . 1 1 12 12 C C5 C 13 97.07 0.0050 . 1 . . . . 132 C C5 . 16479 1 71 . 1 1 12 12 C C6 C 13 141.3 0.0050 . 5 . . . . 132 C C6 . 16479 1 72 . 1 1 13 13 U H1' H 1 5.546 0.0029 . 1 . . . . 133 U H1' . 16479 1 73 . 1 1 13 13 U H3 H 1 13.89 0.0010 . 1 . . . . 133 U H3 . 16479 1 74 . 1 1 13 13 U H5 H 1 5.392 0.0005 . 1 . . . . 133 U H5 . 16479 1 75 . 1 1 13 13 U H6 H 1 7.933 0.0016 . 1 . . . . 133 U H6 . 16479 1 76 . 1 1 13 13 U C1' C 13 94.02 0.0050 . 1 . . . . 133 U C1' . 16479 1 77 . 1 1 13 13 U C5 C 13 103.2 0.0050 . 1 . . . . 133 U C5 . 16479 1 78 . 1 1 13 13 U C6 C 13 142.3 0.0050 . 1 . . . . 133 U C6 . 16479 1 79 . 1 1 14 14 C H5 H 1 5.598 0.0014 . 1 . . . . 134 C H5 . 16479 1 80 . 1 1 14 14 C H6 H 1 7.701 0.0007 . 1 . . . . 134 C H6 . 16479 1 81 . 1 1 14 14 C C5 C 13 97.66 0.0050 . 1 . . . . 134 C C5 . 16479 1 82 . 1 1 14 14 C C6 C 13 141.8 0.0050 . 5 . . . . 134 C C6 . 16479 1 83 . 1 1 15 15 U H1' H 1 5.533 0.0005 . 1 . . . . 135 U H1' . 16479 1 84 . 1 1 15 15 U H5 H 1 5.572 0.0012 . 1 . . . . 135 U H5 . 16479 1 85 . 1 1 15 15 U H6 H 1 7.738 0.0036 . 1 . . . . 135 U H6 . 16479 1 86 . 1 1 15 15 U C1' C 13 93.71 0.0050 . 1 . . . . 135 U C1' . 16479 1 87 . 1 1 15 15 U C5 C 13 104.8 0.0050 . 1 . . . . 135 U C5 . 16479 1 88 . 1 1 15 15 U C6 C 13 140.9 0.0050 . 1 . . . . 135 U C6 . 16479 1 89 . 1 1 16 16 U H1' H 1 5.488 0.0009 . 1 . . . . 136 U H1' . 16479 1 90 . 1 1 16 16 U H2' H 1 4.165 0.0050 . 1 . . . . 136 U H2' . 16479 1 91 . 1 1 16 16 U H5 H 1 5.545 0.0020 . 1 . . . . 136 U H5 . 16479 1 92 . 1 1 16 16 U H6 H 1 7.750 0.0013 . 1 . . . . 136 U H6 . 16479 1 93 . 1 1 16 16 U C1' C 13 92.75 0.0050 . 1 . . . . 136 U C1' . 16479 1 94 . 1 1 16 16 U C5 C 13 104.0 0.0050 . 1 . . . . 136 U C5 . 16479 1 95 . 1 1 16 16 U C6 C 13 142.4 0.0050 . 1 . . . . 136 U C6 . 16479 1 96 . 1 1 17 17 U H1' H 1 5.552 0.0012 . 1 . . . . 137 U H1' . 16479 1 97 . 1 1 17 17 U H2' H 1 4.069 0.0050 . 1 . . . . 137 U H2' . 16479 1 98 . 1 1 17 17 U H5 H 1 5.672 0.0010 . 1 . . . . 137 U H5 . 16479 1 99 . 1 1 17 17 U H6 H 1 7.598 0.0013 . 1 . . . . 137 U H6 . 16479 1 100 . 1 1 17 17 U C1' C 13 89.97 0.0050 . 1 . . . . 137 U C1' . 16479 1 101 . 1 1 17 17 U C5 C 13 105.1 0.0050 . 5 . . . . 137 U C5 . 16479 1 102 . 1 1 17 17 U C6 C 13 143.6 0.0050 . 1 . . . . 137 U C6 . 16479 1 103 . 1 1 18 18 A H1' H 1 6.003 0.0007 . 1 . . . . 138 A H1' . 16479 1 104 . 1 1 18 18 A H2 H 1 8.104 0.0013 . 1 . . . . 138 A H2 . 16479 1 105 . 1 1 18 18 A H2' H 1 4.847 0.0050 . 1 . . . . 138 A H2' . 16479 1 106 . 1 1 18 18 A H8 H 1 8.264 0.0006 . 1 . . . . 138 A H8 . 16479 1 107 . 1 1 18 18 A C1' C 13 90.31 0.0050 . 1 . . . . 138 A C1' . 16479 1 108 . 1 1 18 18 A C2 C 13 155.4 0.0050 . 1 . . . . 138 A C2 . 16479 1 109 . 1 1 18 18 A C8 C 13 142.6 0.0050 . 1 . . . . 138 A C8 . 16479 1 110 . 1 1 19 19 U H1' H 1 5.979 0.0010 . 1 . . . . 139 U H1' . 16479 1 111 . 1 1 19 19 U H2' H 1 4.404 0.0050 . 1 . . . . 139 U H2' . 16479 1 112 . 1 1 19 19 U H5 H 1 5.870 0.0011 . 1 . . . . 139 U H5 . 16479 1 113 . 1 1 19 19 U H6 H 1 7.838 0.0011 . 1 . . . . 139 U H6 . 16479 1 114 . 1 1 19 19 U C1' C 13 90.58 0.0050 . 1 . . . . 139 U C1' . 16479 1 115 . 1 1 19 19 U C5 C 13 105.4 0.0050 . 1 . . . . 139 U C5 . 16479 1 116 . 1 1 19 19 U C6 C 13 144.1 0.0050 . 1 . . . . 139 U C6 . 16479 1 117 . 1 1 20 20 U H1' H 1 5.840 0.0018 . 1 . . . . 140 U H1' . 16479 1 118 . 1 1 20 20 U H2' H 1 4.363 0.0050 . 1 . . . . 140 U H2' . 16479 1 119 . 1 1 20 20 U H5 H 1 5.804 0.0012 . 1 . . . . 140 U H5 . 16479 1 120 . 1 1 20 20 U H6 H 1 7.770 0.0015 . 1 . . . . 140 U H6 . 16479 1 121 . 1 1 20 20 U C1' C 13 90.84 0.0050 . 1 . . . . 140 U C1' . 16479 1 122 . 1 1 20 20 U C5 C 13 105.1 0.0050 . 1 . . . . 140 U C5 . 16479 1 123 . 1 1 20 20 U C6 C 13 143.8 0.0050 . 1 . . . . 140 U C6 . 16479 1 124 . 1 1 21 21 U H1' H 1 5.450 0.0014 . 1 . . . . 141 U H1' . 16479 1 125 . 1 1 21 21 U H2' H 1 4.592 0.0050 . 1 . . . . 141 U H2' . 16479 1 126 . 1 1 21 21 U H5 H 1 5.834 0.0013 . 1 . . . . 141 U H5 . 16479 1 127 . 1 1 21 21 U H6 H 1 7.859 0.0009 . 1 . . . . 141 U H6 . 16479 1 128 . 1 1 21 21 U C1' C 13 93.50 0.0050 . 1 . . . . 141 U C1' . 16479 1 129 . 1 1 21 21 U C5 C 13 104.4 0.0050 . 1 . . . . 141 U C5 . 16479 1 130 . 1 1 21 21 U C6 C 13 143.3 0.0050 . 1 . . . . 141 U C6 . 16479 1 131 . 1 1 22 22 G H1 H 1 12.24 0.0050 . 1 . . . . 142 G H1 . 16479 1 132 . 1 1 22 22 G H1' H 1 5.767 0.0005 . 1 . . . . 142 G H1' . 16479 1 133 . 1 1 22 22 G H2' H 1 4.697 0.0050 . 1 . . . . 142 G H2' . 16479 1 134 . 1 1 22 22 G H8 H 1 7.759 0.0005 . 1 . . . . 142 G H8 . 16479 1 135 . 1 1 22 22 G C1' C 13 91.92 0.0050 . 1 . . . . 142 G C1' . 16479 1 136 . 1 1 22 22 G C8 C 13 136.8 0.0050 . 1 . . . . 142 G C8 . 16479 1 137 . 1 1 23 23 A H1' H 1 5.974 0.0013 . 1 . . . . 143 A H1' . 16479 1 138 . 1 1 23 23 A H2 H 1 7.427 0.0006 . 1 . . . . 143 A H2 . 16479 1 139 . 1 1 23 23 A H8 H 1 7.718 0.0011 . 1 . . . . 143 A H8 . 16479 1 140 . 1 1 23 23 A C1' C 13 93.27 0.0050 . 1 . . . . 143 A C1' . 16479 1 141 . 1 1 23 23 A C2 C 13 153.3 0.0050 . 1 . . . . 143 A C2 . 16479 1 142 . 1 1 23 23 A C8 C 13 139.6 0.0050 . 1 . . . . 143 A C8 . 16479 1 143 . 1 1 24 24 G H1 H 1 13.34 0.0007 . 1 . . . . 144 G H1 . 16479 1 144 . 1 1 24 24 G H1' H 1 5.688 0.0005 . 1 . . . . 144 G H1' . 16479 1 145 . 1 1 24 24 G H8 H 1 7.242 0.0007 . 1 . . . . 144 G H8 . 16479 1 146 . 1 1 24 24 G C1' C 13 92.22 0.0050 . 5 . . . . 144 G C1' . 16479 1 147 . 1 1 24 24 G C8 C 13 135.8 0.0050 . 1 . . . . 144 G C8 . 16479 1 148 . 1 1 25 25 C H1' H 1 5.592 0.0005 . 1 . . . . 145 C H1' . 16479 1 149 . 1 1 25 25 C H5 H 1 5.156 0.0011 . 1 . . . . 145 C H5 . 16479 1 150 . 1 1 25 25 C H6 H 1 7.523 0.0007 . 1 . . . . 145 C H6 . 16479 1 151 . 1 1 25 25 C C1' C 13 93.17 0.0050 . 1 . . . . 145 C C1' . 16479 1 152 . 1 1 25 25 C C5 C 13 97.35 0.0050 . 1 . . . . 145 C C5 . 16479 1 153 . 1 1 25 25 C C6 C 13 140.5 0.0050 . 1 . . . . 145 C C6 . 16479 1 154 . 1 1 26 26 G H1 H 1 10.21 0.0022 . 1 . . . . 146 G H1 . 16479 1 155 . 1 1 26 26 G H1' H 1 5.781 0.0025 . 1 . . . . 146 G H1' . 16479 1 156 . 1 1 26 26 G H8 H 1 7.556 0.0017 . 1 . . . . 146 G H8 . 16479 1 157 . 1 1 26 26 G C1' C 13 93.28 0.0050 . 1 . . . . 146 G C1' . 16479 1 158 . 1 1 26 26 G C8 C 13 137.6 0.0050 . 1 . . . . 146 G C8 . 16479 1 159 . 1 1 27 27 G H1 H 1 10.99 0.0008 . 1 . . . . 147 G H1 . 16479 1 160 . 1 1 27 27 G H1' H 1 5.750 0.0015 . 1 . . . . 147 G H1' . 16479 1 161 . 1 1 27 27 G H8 H 1 7.044 0.0013 . 1 . . . . 147 G H8 . 16479 1 162 . 1 1 27 27 G C1' C 13 92.57 0.0050 . 1 . . . . 147 G C1' . 16479 1 163 . 1 1 27 27 G C8 C 13 136.8 0.0050 . 1 . . . . 147 G C8 . 16479 1 164 . 1 1 28 28 G H1 H 1 13.22 0.0036 . 1 . . . . 148 G H1 . 16479 1 165 . 1 1 28 28 G H1' H 1 5.498 0.0004 . 1 . . . . 148 G H1' . 16479 1 166 . 1 1 28 28 G H8 H 1 7.218 0.0013 . 1 . . . . 148 G H8 . 16479 1 167 . 1 1 28 28 G C1' C 13 93.76 0.0050 . 1 . . . . 148 G C1' . 16479 1 168 . 1 1 28 28 G C8 C 13 136.0 0.0050 . 1 . . . . 148 G C8 . 16479 1 169 . 1 1 29 29 C H1' H 1 5.749 0.0050 . 1 . . . . 149 C H1' . 16479 1 170 . 1 1 29 29 C H5 H 1 5.206 0.0018 . 1 . . . . 149 C H5 . 16479 1 171 . 1 1 29 29 C H6 H 1 7.612 0.0014 . 1 . . . . 149 C H6 . 16479 1 172 . 1 1 29 29 C C5 C 13 97.41 0.0050 . 1 . . . . 149 C C5 . 16479 1 173 . 1 1 29 29 C C6 C 13 140.7 0.0050 . 1 . . . . 149 C C6 . 16479 1 174 . 1 1 30 30 A H1' H 1 5.863 0.0010 . 1 . . . . 150 A H1' . 16479 1 175 . 1 1 30 30 A H2 H 1 6.665 0.0009 . 1 . . . . 150 A H2 . 16479 1 176 . 1 1 30 30 A H8 H 1 7.982 0.0011 . 1 . . . . 150 A H8 . 16479 1 177 . 1 1 30 30 A C1' C 13 93.11 0.0050 . 1 . . . . 150 A C1' . 16479 1 178 . 1 1 30 30 A C2 C 13 152.0 0.0050 . 1 . . . . 150 A C2 . 16479 1 179 . 1 1 30 30 A C8 C 13 139.6 0.0050 . 1 . . . . 150 A C8 . 16479 1 180 . 1 1 31 31 A H1' H 1 5.880 0.0011 . 1 . . . . 151 A H1' . 16479 1 181 . 1 1 31 31 A H2 H 1 7.640 0.0028 . 1 . . . . 151 A H2 . 16479 1 182 . 1 1 31 31 A H8 H 1 7.858 0.0013 . 1 . . . . 151 A H8 . 16479 1 183 . 1 1 31 31 A C1' C 13 92.68 0.0050 . 1 . . . . 151 A C1' . 16479 1 184 . 1 1 31 31 A C2 C 13 153.8 0.0050 . 1 . . . . 151 A C2 . 16479 1 185 . 1 1 31 31 A C8 C 13 139.3 0.0050 . 1 . . . . 151 A C8 . 16479 1 186 . 1 1 32 32 U H1' H 1 5.427 0.0018 . 1 . . . . 152 U H1' . 16479 1 187 . 1 1 32 32 U H3 H 1 13.43 0.0004 . 1 . . . . 152 U H3 . 16479 1 188 . 1 1 32 32 U H5 H 1 5.008 0.0007 . 1 . . . . 152 U H5 . 16479 1 189 . 1 1 32 32 U H6 H 1 7.564 0.0013 . 1 . . . . 152 U H6 . 16479 1 190 . 1 1 32 32 U C1' C 13 92.96 0.0050 . 1 . . . . 152 U C1' . 16479 1 191 . 1 1 32 32 U C6 C 13 140.7 0.0050 . 1 . . . . 152 U C6 . 16479 1 192 . 1 1 33 33 G H1 H 1 12.52 0.0008 . 1 . . . . 153 G H1 . 16479 1 193 . 1 1 33 33 G H1' H 1 5.783 0.0016 . 1 . . . . 153 G H1' . 16479 1 194 . 1 1 33 33 G H8 H 1 7.673 0.0009 . 1 . . . . 153 G H8 . 16479 1 195 . 1 1 33 33 G C1' C 13 92.67 0.0050 . 1 . . . . 153 G C1' . 16479 1 196 . 1 1 33 33 G C8 C 13 136.1 0.0050 . 1 . . . . 153 G C8 . 16479 1 197 . 1 1 34 34 C H1' H 1 5.474 0.0010 . 1 . . . . 154 C H1' . 16479 1 198 . 1 1 34 34 C H5 H 1 5.186 0.0004 . 1 . . . . 154 C H5 . 16479 1 199 . 1 1 34 34 C H6 H 1 7.668 0.0007 . 1 . . . . 154 C H6 . 16479 1 200 . 1 1 34 34 C C1' C 13 94.03 0.0050 . 1 . . . . 154 C C1' . 16479 1 201 . 1 1 34 34 C C5 C 13 96.97 0.0050 . 1 . . . . 154 C C5 . 16479 1 202 . 1 1 34 34 C C6 C 13 141.1 0.0050 . 1 . . . . 154 C C6 . 16479 1 203 . 1 1 35 35 C H1' H 1 5.731 0.0005 . 1 . . . . 155 C H1' . 16479 1 204 . 1 1 35 35 C H2' H 1 3.983 0.0050 . 1 . . . . 155 C H2' . 16479 1 205 . 1 1 35 35 C H5 H 1 5.485 0.0027 . 1 . . . . 155 C H5 . 16479 1 206 . 1 1 35 35 C H6 H 1 7.646 0.0005 . 1 . . . . 155 C H6 . 16479 1 207 . 1 1 35 35 C C1' C 13 92.97 0.0050 . 1 . . . . 155 C C1' . 16479 1 208 . 1 1 35 35 C C5 C 13 98.20 0.0050 . 1 . . . . 155 C C5 . 16479 1 209 . 1 1 35 35 C C6 C 13 141.7 0.0050 . 1 . . . . 155 C C6 . 16479 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 14 16479 1 1 69 16479 1 2 35 16479 1 2 60 16479 1 3 51 16479 1 3 101 16479 1 4 58 16479 1 4 64 16479 1 4 146 16479 1 5 71 16479 1 5 82 16479 1 stop_ save_