################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34171 _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 $chem_shift_reference_1 _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 TOCSY' . . . 34171 1 2 '2D 1H-1H NOESY' . . . 34171 1 3 '2D 1H-13C HSQC aromatic' . . . 34171 1 4 '2D 1H-13C HSQC aliphatic' . . . 34171 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.Ambiguity_set_ID _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 A H1' H 1 5.476 0.000 . . . . . . A 1 A H1' . 34171 1 2 . 1 1 1 1 A H2 H 1 7.701 0.000 . . . . . . A 1 A H2 . 34171 1 3 . 1 1 1 1 A H2' H 1 4.363 0.000 . . . . . . A 1 A H2' . 34171 1 4 . 1 1 1 1 A H3' H 1 4.423 0.000 . . . . . . A 1 A H3' . 34171 1 5 . 1 1 1 1 A H4' H 1 3.976 0.000 . . . . . . A 1 A H4' . 34171 1 6 . 1 1 1 1 A H5' H 1 3.605 0.000 . . . . . . A 1 A H5' . 34171 1 7 . 1 1 1 1 A H5'' H 1 3.537 0.000 . . . . . . A 1 A H5'' . 34171 1 8 . 1 1 1 1 A H8 H 1 7.823 0.000 . . . . . . A 1 A H8 . 34171 1 9 . 1 1 1 1 A C1' C 13 90.774 0.000 . . . . . . A 1 A C1' . 34171 1 10 . 1 1 1 1 A C2 C 13 153.880 0.000 . . . . . . A 1 A C2 . 34171 1 11 . 1 1 1 1 A C2' C 13 76.301 0.000 . . . . . . A 1 A C2' . 34171 1 12 . 1 1 1 1 A C3' C 13 77.461 0.000 . . . . . . A 1 A C3' . 34171 1 13 . 1 1 1 1 A C4' C 13 87.103 0.000 . . . . . . A 1 A C4' . 34171 1 14 . 1 1 1 1 A C5' C 13 63.442 0.000 . . . . . . A 1 A C5' . 34171 1 15 . 1 1 1 1 A C8 C 13 142.666 0.000 . . . . . . A 1 A C8 . 34171 1 16 . 1 1 2 2 U H1' H 1 5.703 0.000 . . . . . . A 2 U H1' . 34171 1 17 . 1 1 2 2 U H2' H 1 4.241 0.000 . . . . . . A 2 U H2' . 34171 1 18 . 1 1 2 2 U H3' H 1 4.412 0.000 . . . . . . A 2 U H3' . 34171 1 19 . 1 1 2 2 U H4' H 1 4.372 0.000 . . . . . . A 2 U H4' . 34171 1 20 . 1 1 2 2 U H5 H 1 5.566 0.000 . . . . . . A 2 U H5 . 34171 1 21 . 1 1 2 2 U H5' H 1 4.061 0.000 . . . . . . A 2 U H5' . 34171 1 22 . 1 1 2 2 U H5'' H 1 3.960 0.000 . . . . . . A 2 U H5'' . 34171 1 23 . 1 1 2 2 U H6 H 1 7.657 0.000 . . . . . . A 2 U H6 . 34171 1 24 . 1 1 2 2 U C1' C 13 90.234 0.000 . . . . . . A 2 U C1' . 34171 1 25 . 1 1 2 2 U C2' C 13 75.268 0.000 . . . . . . A 2 U C2' . 34171 1 26 . 1 1 2 2 U C3' C 13 75.451 0.000 . . . . . . A 2 U C3' . 34171 1 27 . 1 1 2 2 U C4' C 13 84.709 0.000 . . . . . . A 2 U C4' . 34171 1 28 . 1 1 2 2 U C5 C 13 104.966 0.000 . . . . . . A 2 U C5 . 34171 1 29 . 1 1 2 2 U C5' C 13 67.448 0.000 . . . . . . A 2 U C5' . 34171 1 30 . 1 1 2 2 U C6 C 13 143.226 0.000 . . . . . . A 2 U C6 . 34171 1 31 . 1 1 3 3 A H1' H 1 5.531 0.000 . . . . . . A 3 A H1' . 34171 1 32 . 1 1 3 3 A H2 H 1 7.535 0.000 . . . . . . A 3 A H2 . 34171 1 33 . 1 1 3 3 A H2' H 1 4.426 0.000 . . . . . . A 3 A H2' . 34171 1 34 . 1 1 3 3 A H3' H 1 4.358 0.000 . . . . . . A 3 A H3' . 34171 1 35 . 1 1 3 3 A H4' H 1 4.138 0.000 . . . . . . A 3 A H4' . 34171 1 36 . 1 1 3 3 A H5' H 1 3.973 0.000 . . . . . . A 3 A H5' . 34171 1 37 . 1 1 3 3 A H5'' H 1 4.054 0.000 . . . . . . A 3 A H5'' . 34171 1 38 . 1 1 3 3 A H8 H 1 8.060 0.000 . . . . . . A 3 A H8 . 34171 1 39 . 1 1 3 3 A C1' C 13 92.362 0.000 . . . . . . A 3 A C1' . 34171 1 40 . 1 1 3 3 A C2 C 13 153.435 0.000 . . . . . . A 3 A C2 . 34171 1 41 . 1 1 3 3 A C2' C 13 75.127 0.000 . . . . . . A 3 A C2' . 34171 1 42 . 1 1 3 3 A C3' C 13 75.332 0.000 . . . . . . A 3 A C3' . 34171 1 43 . 1 1 3 3 A C4' C 13 82.945 0.000 . . . . . . A 3 A C4' . 34171 1 44 . 1 1 3 3 A C5' C 13 67.351 0.000 . . . . . . A 3 A C5' . 34171 1 45 . 1 1 3 3 A C8 C 13 140.319 0.000 . . . . . . A 3 A C8 . 34171 1 46 . 1 1 4 4 C H1' H 1 5.226 0.000 . . . . . . A 4 C H1' . 34171 1 47 . 1 1 4 4 C H2' H 1 4.425 0.000 . . . . . . A 4 C H2' . 34171 1 48 . 1 1 4 4 C H3' H 1 4.210 0.000 . . . . . . A 4 C H3' . 34171 1 49 . 1 1 4 4 C H4' H 1 4.180 0.000 . . . . . . A 4 C H4' . 34171 1 50 . 1 1 4 4 C H5 H 1 5.030 0.000 . . . . . . A 4 C H5 . 34171 1 51 . 1 1 4 4 C H5' H 1 3.847 0.000 . . . . . . A 4 C H5' . 34171 1 52 . 1 1 4 4 C H5'' H 1 3.778 0.000 . . . . . . A 4 C H5'' . 34171 1 53 . 1 1 4 4 C H6 H 1 7.257 0.000 . . . . . . A 4 C H6 . 34171 1 54 . 1 1 4 4 C C1' C 13 93.508 0.000 . . . . . . A 4 C C1' . 34171 1 55 . 1 1 4 4 C C2' C 13 75.274 0.000 . . . . . . A 4 C C2' . 34171 1 56 . 1 1 4 4 C C3' C 13 73.354 0.000 . . . . . . A 4 C C3' . 34171 1 57 . 1 1 4 4 C C4' C 13 81.852 0.000 . . . . . . A 4 C C4' . 34171 1 58 . 1 1 4 4 C C5 C 13 97.021 0.000 . . . . . . A 4 C C5 . 34171 1 59 . 1 1 4 4 C C5' C 13 64.968 0.000 . . . . . . A 4 C C5' . 34171 1 60 . 1 1 4 4 C C6 C 13 140.799 0.000 . . . . . . A 4 C C6 . 34171 1 61 . 1 1 5 5 PSU H1' H 1 4.579 0.000 . . . . . . A 5 PSU H1' . 34171 1 62 . 1 1 5 5 PSU H2' H 1 4.346 0.000 . . . . . . A 5 PSU H2' . 34171 1 63 . 1 1 5 5 PSU H3' H 1 4.262 0.000 . . . . . . A 5 PSU H3' . 34171 1 64 . 1 1 5 5 PSU H4' H 1 3.988 0.000 . . . . . . A 5 PSU H4' . 34171 1 65 . 1 1 5 5 PSU H5' H 1 3.784 0.000 . . . . . . A 5 PSU H5' . 34171 1 66 . 1 1 5 5 PSU H5'' H 1 3.976 0.000 . . . . . . A 5 PSU H5'' . 34171 1 67 . 1 1 5 5 PSU H6 H 1 7.186 0.000 . . . . . . A 5 PSU H6 . 34171 1 68 . 1 1 5 5 PSU C1' C 13 82.753 0.000 . . . . . . A 5 PSU C1' . 34171 1 69 . 1 1 5 5 PSU C2' C 13 73.300 0.000 . . . . . . A 5 PSU C2' . 34171 1 70 . 1 1 5 5 PSU C3' C 13 74.687 0.000 . . . . . . A 5 PSU C3' . 34171 1 71 . 1 1 5 5 PSU C4' C 13 79.435 0.000 . . . . . . A 5 PSU C4' . 34171 1 72 . 1 1 5 5 PSU C5' C 13 66.378 0.000 . . . . . . A 5 PSU C5' . 34171 1 73 . 1 1 5 5 PSU C6 C 13 140.721 0.000 . . . . . . A 5 PSU C6 . 34171 1 74 . 1 1 5 5 PSU HN3 H 1 10.504 0.000 . . . . . . A 5 PSU HN3 . 34171 1 75 . 1 1 6 6 PSU H1' H 1 4.508 0.000 . . . . . . A 6 PSU H1' . 34171 1 76 . 1 1 6 6 PSU H2' H 1 4.364 0.000 . . . . . . A 6 PSU H2' . 34171 1 77 . 1 1 6 6 PSU H3' H 1 4.260 0.000 . . . . . . A 6 PSU H3' . 34171 1 78 . 1 1 6 6 PSU H4' H 1 4.036 0.000 . . . . . . A 6 PSU H4' . 34171 1 79 . 1 1 6 6 PSU H5' H 1 3.978 0.000 . . . . . . A 6 PSU H5' . 34171 1 80 . 1 1 6 6 PSU H5'' H 1 3.816 0.000 . . . . . . A 6 PSU H5'' . 34171 1 81 . 1 1 6 6 PSU H6 H 1 7.261 0.000 . . . . . . A 6 PSU H6 . 34171 1 82 . 1 1 6 6 PSU C1' C 13 82.712 0.000 . . . . . . A 6 PSU C1' . 34171 1 83 . 1 1 6 6 PSU C2' C 13 73.326 0.000 . . . . . . A 6 PSU C2' . 34171 1 84 . 1 1 6 6 PSU C3' C 13 72.893 0.000 . . . . . . A 6 PSU C3' . 34171 1 85 . 1 1 6 6 PSU C4' C 13 79.429 0.000 . . . . . . A 6 PSU C4' . 34171 1 86 . 1 1 6 6 PSU C5' C 13 66.804 0.000 . . . . . . A 6 PSU C5' . 34171 1 87 . 1 1 6 6 PSU C6 C 13 140.800 0.000 . . . . . . A 6 PSU C6 . 34171 1 88 . 1 1 6 6 PSU HN3 H 1 10.784 0.000 . . . . . . A 6 PSU HN3 . 34171 1 89 . 1 1 7 7 A H1' H 1 5.690 0.000 . . . . . . A 7 A H1' . 34171 1 90 . 1 1 7 7 A H2 H 1 6.818 0.000 . . . . . . A 7 A H2 . 34171 1 91 . 1 1 7 7 A H2' H 1 4.437 0.000 . . . . . . A 7 A H2' . 34171 1 92 . 1 1 7 7 A H3' H 1 4.239 0.000 . . . . . . A 7 A H3' . 34171 1 93 . 1 1 7 7 A H4' H 1 4.176 0.000 . . . . . . A 7 A H4' . 34171 1 94 . 1 1 7 7 A H5' H 1 3.877 0.000 . . . . . . A 7 A H5' . 34171 1 95 . 1 1 7 7 A H5'' H 1 3.813 0.000 . . . . . . A 7 A H5'' . 34171 1 96 . 1 1 7 7 A H8 H 1 7.876 0.000 . . . . . . A 7 A H8 . 34171 1 97 . 1 1 7 7 A C1' C 13 92.536 0.000 . . . . . . A 7 A C1' . 34171 1 98 . 1 1 7 7 A C2 C 13 152.817 0.000 . . . . . . A 7 A C2 . 34171 1 99 . 1 1 7 7 A C2' C 13 72.088 0.000 . . . . . . A 7 A C2' . 34171 1 100 . 1 1 7 7 A C3' C 13 75.182 0.000 . . . . . . A 7 A C3' . 34171 1 101 . 1 1 7 7 A C4' C 13 81.835 0.000 . . . . . . A 7 A C4' . 34171 1 102 . 1 1 7 7 A C5' C 13 66.675 0.000 . . . . . . A 7 A C5' . 34171 1 103 . 1 1 7 7 A C8 C 13 139.386 0.000 . . . . . . A 7 A C8 . 34171 1 104 . 1 1 8 8 C H1' H 1 5.043 0.000 . . . . . . A 8 C H1' . 34171 1 105 . 1 1 8 8 C H2' H 1 4.082 0.000 . . . . . . A 8 C H2' . 34171 1 106 . 1 1 8 8 C H3' H 1 4.009 0.000 . . . . . . A 8 C H3' . 34171 1 107 . 1 1 8 8 C H4' H 1 4.018 0.000 . . . . . . A 8 C H4' . 34171 1 108 . 1 1 8 8 C H5 H 1 4.922 0.000 . . . . . . A 8 C H5 . 34171 1 109 . 1 1 8 8 C H5' H 1 3.757 0.000 . . . . . . A 8 C H5' . 34171 1 110 . 1 1 8 8 C H6 H 1 7.107 0.000 . . . . . . A 8 C H6 . 34171 1 111 . 1 1 8 8 C C1' C 13 93.579 0.000 . . . . . . A 8 C C1' . 34171 1 112 . 1 1 8 8 C C2' C 13 75.324 0.000 . . . . . . A 8 C C2' . 34171 1 113 . 1 1 8 8 C C3' C 13 71.874 0.000 . . . . . . A 8 C C3' . 34171 1 114 . 1 1 8 8 C C4' C 13 83.090 0.000 . . . . . . A 8 C C4' . 34171 1 115 . 1 1 8 8 C C5 C 13 96.861 0.000 . . . . . . A 8 C C5 . 34171 1 116 . 1 1 8 8 C C5' C 13 65.323 0.000 . . . . . . A 8 C C5' . 34171 1 117 . 1 1 8 8 C C6 C 13 140.161 0.000 . . . . . . A 8 C C6 . 34171 1 118 . 1 1 9 9 C H1' H 1 5.406 0.000 . . . . . . A 9 C H1' . 34171 1 119 . 1 1 9 9 C H2' H 1 4.187 0.000 . . . . . . A 9 C H2' . 34171 1 120 . 1 1 9 9 C H3' H 1 4.147 0.000 . . . . . . A 9 C H3' . 34171 1 121 . 1 1 9 9 C H4' H 1 3.973 0.000 . . . . . . A 9 C H4' . 34171 1 122 . 1 1 9 9 C H5 H 1 5.271 0.000 . . . . . . A 9 C H5 . 34171 1 123 . 1 1 9 9 C H5' H 1 3.767 0.000 . . . . . . A 9 C H5' . 34171 1 124 . 1 1 9 9 C H6 H 1 7.427 0.000 . . . . . . A 9 C H6 . 34171 1 125 . 1 1 9 9 C C1' C 13 92.819 0.000 . . . . . . A 9 C C1' . 34171 1 126 . 1 1 9 9 C C2' C 13 76.468 0.000 . . . . . . A 9 C C2' . 34171 1 127 . 1 1 9 9 C C3' C 13 72.999 0.000 . . . . . . A 9 C C3' . 34171 1 128 . 1 1 9 9 C C4' C 13 85.434 0.000 . . . . . . A 9 C C4' . 34171 1 129 . 1 1 9 9 C C5 C 13 98.090 0.000 . . . . . . A 9 C C5 . 34171 1 130 . 1 1 9 9 C C5' C 13 64.369 0.000 . . . . . . A 9 C C5' . 34171 1 131 . 1 1 9 9 C C6 C 13 141.114 0.000 . . . . . . A 9 C C6 . 34171 1 132 . 1 1 10 10 U H1' H 1 5.459 0.000 . . . . . . A 10 U H1' . 34171 1 133 . 1 1 10 10 U H2' H 1 4.082 0.000 . . . . . . A 10 U H2' . 34171 1 134 . 1 1 10 10 U H3' H 1 4.022 0.000 . . . . . . A 10 U H3' . 34171 1 135 . 1 1 10 10 U H4' H 1 3.961 0.000 . . . . . . A 10 U H4' . 34171 1 136 . 1 1 10 10 U H5 H 1 5.313 0.000 . . . . . . A 10 U H5 . 34171 1 137 . 1 1 10 10 U H5' H 1 3.927 0.000 . . . . . . A 10 U H5' . 34171 1 138 . 1 1 10 10 U H5'' H 1 3.785 0.000 . . . . . . A 10 U H5'' . 34171 1 139 . 1 1 10 10 U H6 H 1 7.458 0.000 . . . . . . A 10 U H6 . 34171 1 140 . 1 1 10 10 U C1' C 13 92.486 0.000 . . . . . . A 10 U C1' . 34171 1 141 . 1 1 10 10 U C2' C 13 75.396 0.000 . . . . . . A 10 U C2' . 34171 1 142 . 1 1 10 10 U C3' C 13 75.442 0.000 . . . . . . A 10 U C3' . 34171 1 143 . 1 1 10 10 U C4' C 13 85.433 0.000 . . . . . . A 10 U C4' . 34171 1 144 . 1 1 10 10 U C5 C 13 104.435 0.000 . . . . . . A 10 U C5 . 34171 1 145 . 1 1 10 10 U C5' C 13 66.421 0.000 . . . . . . A 10 U C5' . 34171 1 146 . 1 1 10 10 U C6 C 13 141.669 0.000 . . . . . . A 10 U C6 . 34171 1 147 . 1 1 11 11 G H1' H 1 5.457 0.000 . . . . . . A 11 G H1' . 34171 1 148 . 1 1 11 11 G H2' H 1 4.180 0.000 . . . . . . A 11 G H2' . 34171 1 149 . 1 1 11 11 G H3' H 1 4.187 0.000 . . . . . . A 11 G H3' . 34171 1 150 . 1 1 11 11 G H4' H 1 3.895 0.000 . . . . . . A 11 G H4' . 34171 1 151 . 1 1 11 11 G H5' H 1 3.930 0.000 . . . . . . A 11 G H5' . 34171 1 152 . 1 1 11 11 G H5'' H 1 3.801 0.000 . . . . . . A 11 G H5'' . 34171 1 153 . 1 1 11 11 G H8 H 1 7.607 0.000 . . . . . . A 11 G H8 . 34171 1 154 . 1 1 11 11 G C1' C 13 89.943 0.000 . . . . . . A 11 G C1' . 34171 1 155 . 1 1 11 11 G C2' C 13 74.560 0.000 . . . . . . A 11 G C2' . 34171 1 156 . 1 1 11 11 G C3' C 13 74.024 0.000 . . . . . . A 11 G C3' . 34171 1 157 . 1 1 11 11 G C4' C 13 84.933 0.000 . . . . . . A 11 G C4' . 34171 1 158 . 1 1 11 11 G C5' C 13 65.384 0.000 . . . . . . A 11 G C5' . 34171 1 159 . 1 1 11 11 G C8 C 13 139.279 0.000 . . . . . . A 11 G C8 . 34171 1 160 . 2 2 1 1 G H1' H 1 5.457 0.000 . . . . . . B 12 G H1' . 34171 1 161 . 2 2 1 1 G H2' H 1 4.481 0.000 . . . . . . B 12 G H2' . 34171 1 162 . 2 2 1 1 G H3' H 1 4.397 0.000 . . . . . . B 12 G H3' . 34171 1 163 . 2 2 1 1 G H4' H 1 4.076 0.000 . . . . . . B 12 G H4' . 34171 1 164 . 2 2 1 1 G H5' H 1 3.583 0.000 . . . . . . B 12 G H5' . 34171 1 165 . 2 2 1 1 G H5'' H 1 3.507 0.000 . . . . . . B 12 G H5'' . 34171 1 166 . 2 2 1 1 G H8 H 1 7.580 0.000 . . . . . . B 12 G H8 . 34171 1 167 . 2 2 1 1 G C1' C 13 91.023 0.000 . . . . . . B 12 G C1' . 34171 1 168 . 2 2 1 1 G C2' C 13 75.135 0.000 . . . . . . B 12 G C2' . 34171 1 169 . 2 2 1 1 G C3' C 13 77.024 0.000 . . . . . . B 12 G C3' . 34171 1 170 . 2 2 1 1 G C4' C 13 86.418 0.000 . . . . . . B 12 G C4' . 34171 1 171 . 2 2 1 1 G C5' C 13 63.584 0.000 . . . . . . B 12 G C5' . 34171 1 172 . 2 2 1 1 G C8 C 13 140.611 0.000 . . . . . . B 12 G C8 . 34171 1 173 . 2 2 2 2 G H1' H 1 5.679 0.000 . . . . . . B 13 G H1' . 34171 1 174 . 2 2 2 2 G H2' H 1 4.557 0.000 . . . . . . B 13 G H2' . 34171 1 175 . 2 2 2 2 G H3' H 1 4.357 0.000 . . . . . . B 13 G H3' . 34171 1 176 . 2 2 2 2 G H4' H 1 4.293 0.000 . . . . . . B 13 G H4' . 34171 1 177 . 2 2 2 2 G H5' H 1 3.583 0.000 . . . . . . B 13 G H5' . 34171 1 178 . 2 2 2 2 G H5'' H 1 3.507 0.000 . . . . . . B 13 G H5'' . 34171 1 179 . 2 2 2 2 G H8 H 1 7.658 0.000 . . . . . . B 13 G H8 . 34171 1 180 . 2 2 2 2 G C1' C 13 89.409 0.000 . . . . . . B 13 G C1' . 34171 1 181 . 2 2 2 2 G C2' C 13 75.624 0.000 . . . . . . B 13 G C2' . 34171 1 182 . 2 2 2 2 G C3' C 13 75.039 0.000 . . . . . . B 13 G C3' . 34171 1 183 . 2 2 2 2 G C4' C 13 84.836 0.000 . . . . . . B 13 G C4' . 34171 1 184 . 2 2 2 2 G C5' C 13 63.533 0.000 . . . . . . B 13 G C5' . 34171 1 185 . 2 2 2 2 G C8 C 13 138.587 0.000 . . . . . . B 13 G C8 . 34171 1 186 . 2 2 3 3 A H1' H 1 5.738 0.000 . . . . . . B 14 A H1' . 34171 1 187 . 2 2 3 3 A H2 H 1 7.769 0.000 . . . . . . B 14 A H2 . 34171 1 188 . 2 2 3 3 A H2' H 1 4.553 0.000 . . . . . . B 14 A H2' . 34171 1 189 . 2 2 3 3 A H3' H 1 4.474 0.000 . . . . . . B 14 A H3' . 34171 1 190 . 2 2 3 3 A H4' H 1 4.366 0.000 . . . . . . B 14 A H4' . 34171 1 191 . 2 2 3 3 A H5' H 1 4.173 0.000 . . . . . . B 14 A H5' . 34171 1 192 . 2 2 3 3 A H5'' H 1 4.048 0.000 . . . . . . B 14 A H5'' . 34171 1 193 . 2 2 3 3 A H8 H 1 8.052 0.000 . . . . . . B 14 A H8 . 34171 1 194 . 2 2 3 3 A C1' C 13 90.219 0.000 . . . . . . B 14 A C1' . 34171 1 195 . 2 2 3 3 A C2 C 13 154.305 0.000 . . . . . . B 14 A C2 . 34171 1 196 . 2 2 3 3 A C2' C 13 75.658 0.000 . . . . . . B 14 A C2' . 34171 1 197 . 2 2 3 3 A C3' C 13 75.747 0.000 . . . . . . B 14 A C3' . 34171 1 198 . 2 2 3 3 A C4' C 13 83.978 0.000 . . . . . . B 14 A C4' . 34171 1 199 . 2 2 3 3 A C5' C 13 67.734 0.000 . . . . . . B 14 A C5' . 34171 1 200 . 2 2 3 3 A C8 C 13 142.344 0.000 . . . . . . B 14 A C8 . 34171 1 201 . 2 2 4 4 G H1' H 1 5.309 0.000 . . . . . . B 15 G H1' . 34171 1 202 . 2 2 4 4 G H2' H 1 4.352 0.000 . . . . . . B 15 G H2' . 34171 1 203 . 2 2 4 4 G H3' H 1 4.258 0.000 . . . . . . B 15 G H3' . 34171 1 204 . 2 2 4 4 G H4' H 1 4.177 0.000 . . . . . . B 15 G H4' . 34171 1 205 . 2 2 4 4 G H5' H 1 3.910 0.000 . . . . . . B 15 G H5' . 34171 1 206 . 2 2 4 4 G H8 H 1 7.146 0.000 . . . . . . B 15 G H8 . 34171 1 207 . 2 2 4 4 G C1' C 13 92.792 0.000 . . . . . . B 15 G C1' . 34171 1 208 . 2 2 4 4 G C2' C 13 74.743 0.000 . . . . . . B 15 G C2' . 34171 1 209 . 2 2 4 4 G C3' C 13 72.990 0.000 . . . . . . B 15 G C3' . 34171 1 210 . 2 2 4 4 G C4' C 13 82.032 0.000 . . . . . . B 15 G C4' . 34171 1 211 . 2 2 4 4 G C5' C 13 67.291 0.000 . . . . . . B 15 G C5' . 34171 1 212 . 2 2 4 4 G C8 C 13 136.618 0.000 . . . . . . B 15 G C8 . 34171 1 213 . 2 2 5 5 U H1' H 1 5.304 0.000 . . . . . . B 16 U H1' . 34171 1 214 . 2 2 5 5 U H2' H 1 4.350 0.000 . . . . . . B 16 U H2' . 34171 1 215 . 2 2 5 5 U H3 H 1 13.648 0.000 . . . . . . B 16 U H3 . 34171 1 216 . 2 2 5 5 U H3' H 1 4.208 0.000 . . . . . . B 16 U H3' . 34171 1 217 . 2 2 5 5 U H4' H 1 4.085 0.000 . . . . . . B 16 U H4' . 34171 1 218 . 2 2 5 5 U H5 H 1 4.898 0.000 . . . . . . B 16 U H5 . 34171 1 219 . 2 2 5 5 U H5' H 1 3.884 0.000 . . . . . . B 16 U H5' . 34171 1 220 . 2 2 5 5 U H6 H 1 7.537 0.000 . . . . . . B 16 U H6 . 34171 1 221 . 2 2 5 5 U C1' C 13 93.401 0.000 . . . . . . B 16 U C1' . 34171 1 222 . 2 2 5 5 U C2' C 13 74.664 0.000 . . . . . . B 16 U C2' . 34171 1 223 . 2 2 5 5 U C3' C 13 75.179 0.000 . . . . . . B 16 U C3' . 34171 1 224 . 2 2 5 5 U C4' C 13 82.451 0.000 . . . . . . B 16 U C4' . 34171 1 225 . 2 2 5 5 U C5 C 13 102.497 0.000 . . . . . . B 16 U C5 . 34171 1 226 . 2 2 5 5 U C5' C 13 64.242 0.000 . . . . . . B 16 U C5' . 34171 1 227 . 2 2 5 5 U C6 C 13 141.471 0.000 . . . . . . B 16 U C6 . 34171 1 228 . 2 2 6 6 A H1' H 1 5.711 0.000 . . . . . . B 17 A H1' . 34171 1 229 . 2 2 6 6 A H2 H 1 6.194 0.000 . . . . . . B 17 A H2 . 34171 1 230 . 2 2 6 6 A H2' H 1 4.499 0.000 . . . . . . B 17 A H2' . 34171 1 231 . 2 2 6 6 A H3' H 1 4.411 0.000 . . . . . . B 17 A H3' . 34171 1 232 . 2 2 6 6 A H4' H 1 4.283 0.000 . . . . . . B 17 A H4' . 34171 1 233 . 2 2 6 6 A H5' H 1 3.944 0.000 . . . . . . B 17 A H5' . 34171 1 234 . 2 2 6 6 A H5'' H 1 3.880 0.000 . . . . . . B 17 A H5'' . 34171 1 235 . 2 2 6 6 A H8 H 1 7.859 0.000 . . . . . . B 17 A H8 . 34171 1 236 . 2 2 6 6 A C1' C 13 92.074 0.000 . . . . . . B 17 A C1' . 34171 1 237 . 2 2 6 6 A C2 C 13 151.777 0.000 . . . . . . B 17 A C2 . 34171 1 238 . 2 2 6 6 A C2' C 13 73.047 0.000 . . . . . . B 17 A C2' . 34171 1 239 . 2 2 6 6 A C3' C 13 75.632 0.000 . . . . . . B 17 A C3' . 34171 1 240 . 2 2 6 6 A C4' C 13 82.169 0.000 . . . . . . B 17 A C4' . 34171 1 241 . 2 2 6 6 A C5' C 13 67.171 0.000 . . . . . . B 17 A C5' . 34171 1 242 . 2 2 6 6 A C8 C 13 139.408 0.000 . . . . . . B 17 A C8 . 34171 1 243 . 2 2 7 7 A H1' H 1 5.534 0.000 . . . . . . B 18 A H1' . 34171 1 244 . 2 2 7 7 A H2 H 1 7.075 0.000 . . . . . . B 18 A H2 . 34171 1 245 . 2 2 7 7 A H2' H 1 4.412 0.000 . . . . . . B 18 A H2' . 34171 1 246 . 2 2 7 7 A H3' H 1 4.293 0.000 . . . . . . B 18 A H3' . 34171 1 247 . 2 2 7 7 A H4' H 1 4.254 0.000 . . . . . . B 18 A H4' . 34171 1 248 . 2 2 7 7 A H5' H 1 3.897 0.000 . . . . . . B 18 A H5' . 34171 1 249 . 2 2 7 7 A H8 H 1 7.410 0.000 . . . . . . B 18 A H8 . 34171 1 250 . 2 2 7 7 A C1' C 13 92.398 0.000 . . . . . . B 18 A C1' . 34171 1 251 . 2 2 7 7 A C2 C 13 152.660 0.000 . . . . . . B 18 A C2 . 34171 1 252 . 2 2 7 7 A C2' C 13 76.271 0.000 . . . . . . B 18 A C2' . 34171 1 253 . 2 2 7 7 A C3' C 13 72.814 0.000 . . . . . . B 18 A C3' . 34171 1 254 . 2 2 7 7 A C4' C 13 81.841 0.000 . . . . . . B 18 A C4' . 34171 1 255 . 2 2 7 7 A C5' C 13 65.688 0.000 . . . . . . B 18 A C5' . 34171 1 256 . 2 2 7 7 A C8 C 13 138.870 0.000 . . . . . . B 18 A C8 . 34171 1 257 . 2 2 8 8 G H1 H 1 12.543 0.000 . . . . . . B 19 G H1 . 34171 1 258 . 2 2 8 8 G H1' H 1 5.310 0.000 . . . . . . B 19 G H1' . 34171 1 259 . 2 2 8 8 G H2' H 1 4.353 0.000 . . . . . . B 19 G H2' . 34171 1 260 . 2 2 8 8 G H3' H 1 4.253 0.000 . . . . . . B 19 G H3' . 34171 1 261 . 2 2 8 8 G H4' H 1 4.130 0.000 . . . . . . B 19 G H4' . 34171 1 262 . 2 2 8 8 G H5' H 1 3.760 0.000 . . . . . . B 19 G H5' . 34171 1 263 . 2 2 8 8 G H8 H 1 6.818 0.000 . . . . . . B 19 G H8 . 34171 1 264 . 2 2 8 8 G C1' C 13 91.917 0.000 . . . . . . B 19 G C1' . 34171 1 265 . 2 2 8 8 G C2' C 13 73.287 0.000 . . . . . . B 19 G C2' . 34171 1 266 . 2 2 8 8 G C3' C 13 72.911 0.000 . . . . . . B 19 G C3' . 34171 1 267 . 2 2 8 8 G C4' C 13 82.930 0.000 . . . . . . B 19 G C4' . 34171 1 268 . 2 2 8 8 G C5' C 13 65.248 0.000 . . . . . . B 19 G C5' . 34171 1 269 . 2 2 8 8 G C8 C 13 135.527 0.000 . . . . . . B 19 G C8 . 34171 1 270 . 2 2 9 9 U H1' H 1 5.458 0.000 . . . . . . B 20 U H1' . 34171 1 271 . 2 2 9 9 U H2' H 1 4.130 0.000 . . . . . . B 20 U H2' . 34171 1 272 . 2 2 9 9 U H3' H 1 4.084 0.000 . . . . . . B 20 U H3' . 34171 1 273 . 2 2 9 9 U H4' H 1 3.974 0.000 . . . . . . B 20 U H4' . 34171 1 274 . 2 2 9 9 U H5 H 1 4.788 0.000 . . . . . . B 20 U H5 . 34171 1 275 . 2 2 9 9 U H5' H 1 3.803 0.000 . . . . . . B 20 U H5' . 34171 1 276 . 2 2 9 9 U H5'' H 1 3.771 0.000 . . . . . . B 20 U H5'' . 34171 1 277 . 2 2 9 9 U H6 H 1 7.334 0.000 . . . . . . B 20 U H6 . 34171 1 278 . 2 2 9 9 U C1' C 13 92.632 0.000 . . . . . . B 20 U C1' . 34171 1 279 . 2 2 9 9 U C2' C 13 74.918 0.000 . . . . . . B 20 U C2' . 34171 1 280 . 2 2 9 9 U C3' C 13 72.058 0.000 . . . . . . B 20 U C3' . 34171 1 281 . 2 2 9 9 U C4' C 13 87.049 0.000 . . . . . . B 20 U C4' . 34171 1 282 . 2 2 9 9 U C5 C 13 102.818 0.000 . . . . . . B 20 U C5 . 34171 1 283 . 2 2 9 9 U C5' C 13 64.643 0.000 . . . . . . B 20 U C5' . 34171 1 284 . 2 2 9 9 U C6 C 13 141.316 0.000 . . . . . . B 20 U C6 . 34171 1 285 . 2 2 10 10 C H1' H 1 5.456 0.000 . . . . . . B 21 C H1' . 34171 1 286 . 2 2 10 10 C H2' H 1 4.146 0.000 . . . . . . B 21 C H2' . 34171 1 287 . 2 2 10 10 C H3' H 1 4.248 0.000 . . . . . . B 21 C H3' . 34171 1 288 . 2 2 10 10 C H4' H 1 4.084 0.000 . . . . . . B 21 C H4' . 34171 1 289 . 2 2 10 10 C H5 H 1 5.488 0.000 . . . . . . B 21 C H5 . 34171 1 290 . 2 2 10 10 C H5' H 1 3.861 0.000 . . . . . . B 21 C H5' . 34171 1 291 . 2 2 10 10 C H5'' H 1 3.835 0.000 . . . . . . B 21 C H5'' . 34171 1 292 . 2 2 10 10 C H6 H 1 7.471 0.000 . . . . . . B 21 C H6 . 34171 1 293 . 2 2 10 10 C C1' C 13 92.211 0.000 . . . . . . B 21 C C1' . 34171 1 294 . 2 2 10 10 C C2' C 13 74.990 0.000 . . . . . . B 21 C C2' . 34171 1 295 . 2 2 10 10 C C3' C 13 75.259 0.000 . . . . . . B 21 C C3' . 34171 1 296 . 2 2 10 10 C C4' C 13 81.650 0.000 . . . . . . B 21 C C4' . 34171 1 297 . 2 2 10 10 C C5 C 13 98.028 0.000 . . . . . . B 21 C C5 . 34171 1 298 . 2 2 10 10 C C5' C 13 67.363 0.000 . . . . . . B 21 C C5' . 34171 1 299 . 2 2 10 10 C C6 C 13 142.343 0.000 . . . . . . B 21 C C6 . 34171 1 300 . 2 2 11 11 U H1' H 1 5.512 0.000 . . . . . . B 22 U H1' . 34171 1 301 . 2 2 11 11 U H2' H 1 3.976 0.000 . . . . . . B 22 U H2' . 34171 1 302 . 2 2 11 11 U H3' H 1 3.970 0.000 . . . . . . B 22 U H3' . 34171 1 303 . 2 2 11 11 U H4' H 1 3.869 0.000 . . . . . . B 22 U H4' . 34171 1 304 . 2 2 11 11 U H5 H 1 5.415 0.000 . . . . . . B 22 U H5 . 34171 1 305 . 2 2 11 11 U H5' H 1 3.786 0.000 . . . . . . B 22 U H5' . 34171 1 306 . 2 2 11 11 U H6 H 1 7.520 0.000 . . . . . . B 22 U H6 . 34171 1 307 . 2 2 11 11 U C1' C 13 91.004 0.000 . . . . . . B 22 U C1' . 34171 1 308 . 2 2 11 11 U C2' C 13 75.308 0.000 . . . . . . B 22 U C2' . 34171 1 309 . 2 2 11 11 U C3' C 13 71.259 0.000 . . . . . . B 22 U C3' . 34171 1 310 . 2 2 11 11 U C4' C 13 76.438 0.000 . . . . . . B 22 U C4' . 34171 1 311 . 2 2 11 11 U C5 C 13 104.448 0.000 . . . . . . B 22 U C5 . 34171 1 312 . 2 2 11 11 U C5' C 13 66.386 0.000 . . . . . . B 22 U C5' . 34171 1 313 . 2 2 11 11 U C6 C 13 143.154 0.000 . . . . . . B 22 U C6 . 34171 1 stop_ save_