################################### # 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 5852 _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 . 5852 1 . . 2 $sample_2 . 5852 1 . . 3 $sample_3 . 5852 1 . . 4 $sample_4 . 5852 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 H8 H 1 8.012 0.01 . 1 . . . . . . . . 5852 1 2 . 1 1 1 1 G C8 C 13 138.797 0.2 . 1 . . . . . . . . 5852 1 3 . 1 1 1 1 G N9 N 15 169.163 0.2 . 1 . . . . . . . . 5852 1 4 . 1 1 1 1 G H1' H 1 5.682 0.01 . 1 . . . . . . . . 5852 1 5 . 1 1 1 1 G H2' H 1 4.834 0.01 . 1 . . . . . . . . 5852 1 6 . 1 1 1 1 G H3' H 1 4.624 0.01 . 1 . . . . . . . . 5852 1 7 . 1 1 1 1 G H4' H 1 4.348 0.01 . 1 . . . . . . . . 5852 1 8 . 1 1 1 1 G H5' H 1 4.001 0.01 . 2 . . . . . . . . 5852 1 9 . 1 1 1 1 G H5'' H 1 3.902 0.01 . 2 . . . . . . . . 5852 1 10 . 1 1 1 1 G C1' C 13 92.070 0.2 . 1 . . . . . . . . 5852 1 11 . 1 1 1 1 G C2' C 13 75.079 0.2 . 1 . . . . . . . . 5852 1 12 . 1 1 1 1 G C3' C 13 74.229 0.2 . 1 . . . . . . . . 5852 1 13 . 1 1 1 1 G C4' C 13 84.849 0.2 . 1 . . . . . . . . 5852 1 14 . 1 1 1 1 G C5' C 13 62.548 0.2 . 1 . . . . . . . . 5852 1 15 . 1 1 2 2 A H2 H 1 7.581 0.01 . 1 . . . . . . . . 5852 1 16 . 1 1 2 2 A H8 H 1 8.019 0.01 . 1 . . . . . . . . 5852 1 17 . 1 1 2 2 A C2 C 13 153.240 0.2 . 1 . . . . . . . . 5852 1 18 . 1 1 2 2 A C8 C 13 139.859 0.2 . 1 . . . . . . . . 5852 1 19 . 1 1 2 2 A N1 N 15 221.387 0.2 . 1 . . . . . . . . 5852 1 20 . 1 1 2 2 A N3 N 15 213.020 0.2 . 1 . . . . . . . . 5852 1 21 . 1 1 2 2 A N6 N 15 82.568 0.2 . 1 . . . . . . . . 5852 1 22 . 1 1 2 2 A N9 N 15 170.751 0.2 . 1 . . . . . . . . 5852 1 23 . 1 1 2 2 A H1' H 1 6.054 0.01 . 1 . . . . . . . . 5852 1 24 . 1 1 2 2 A H2' H 1 4.707 0.01 . 1 . . . . . . . . 5852 1 25 . 1 1 2 2 A H3' H 1 4.734 0.01 . 1 . . . . . . . . 5852 1 26 . 1 1 2 2 A H4' H 1 4.552 0.01 . 1 . . . . . . . . 5852 1 27 . 1 1 2 2 A H5' H 1 4.568 0.01 . 2 . . . . . . . . 5852 1 28 . 1 1 2 2 A H5'' H 1 4.256 0.01 . 2 . . . . . . . . 5852 1 29 . 1 1 2 2 A C1' C 13 92.920 0.2 . 1 . . . . . . . . 5852 1 30 . 1 1 2 2 A C2' C 13 75.733 0.2 . 1 . . . . . . . . 5852 1 31 . 1 1 2 2 A C3' C 13 72.951 0.2 . 1 . . . . . . . . 5852 1 32 . 1 1 2 2 A C4' C 13 82.303 0.2 . 1 . . . . . . . . 5852 1 33 . 1 1 2 2 A C5' C 13 65.304 0.2 . 1 . . . . . . . . 5852 1 34 . 1 1 3 3 G H1 H 1 13.381 0.01 . 1 . . . . . . . . 5852 1 35 . 1 1 3 3 G H8 H 1 7.200 0.01 . 1 . . . . . . . . 5852 1 36 . 1 1 3 3 G C8 C 13 135.611 0.2 . 1 . . . . . . . . 5852 1 37 . 1 1 3 3 G N1 N 15 148.267 0.2 . 1 . . . . . . . . 5852 1 38 . 1 1 3 3 G N2 N 15 74.945 0.2 . 1 . . . . . . . . 5852 1 39 . 1 1 3 3 G N9 N 15 169.313 0.2 . 1 . . . . . . . . 5852 1 40 . 1 1 3 3 G H1' H 1 5.641 0.01 . 1 . . . . . . . . 5852 1 41 . 1 1 3 3 G H2' H 1 4.429 0.01 . 1 . . . . . . . . 5852 1 42 . 1 1 3 3 G H3' H 1 4.386 0.01 . 1 . . . . . . . . 5852 1 43 . 1 1 3 3 G H4' H 1 4.437 0.01 . 1 . . . . . . . . 5852 1 44 . 1 1 3 3 G H5' H 1 4.479 0.01 . 2 . . . . . . . . 5852 1 45 . 1 1 3 3 G H5'' H 1 4.070 0.01 . 2 . . . . . . . . 5852 1 46 . 1 1 3 3 G C1' C 13 92.495 0.2 . 1 . . . . . . . . 5852 1 47 . 1 1 3 3 G C2' C 13 75.291 0.2 . 1 . . . . . . . . 5852 1 48 . 1 1 3 3 G C3' C 13 72.743 0.2 . 1 . . . . . . . . 5852 1 49 . 1 1 3 3 G C4' C 13 81.876 0.2 . 1 . . . . . . . . 5852 1 50 . 1 1 3 3 G C5' C 13 65.503 0.2 . 1 . . . . . . . . 5852 1 51 . 1 1 4 4 C H41 H 1 8.080 0.01 . 1 . . . . . . . . 5852 1 52 . 1 1 4 4 C H42 H 1 6.539 0.01 . 1 . . . . . . . . 5852 1 53 . 1 1 4 4 C H5 H 1 4.986 0.01 . 1 . . . . . . . . 5852 1 54 . 1 1 4 4 C H6 H 1 7.198 0.01 . 1 . . . . . . . . 5852 1 55 . 1 1 4 4 C C5 C 13 97.168 0.2 . 1 . . . . . . . . 5852 1 56 . 1 1 4 4 C C6 C 13 139.859 0.2 . 1 . . . . . . . . 5852 1 57 . 1 1 4 4 C N1 N 15 150.057 0.2 . 1 . . . . . . . . 5852 1 58 . 1 1 4 4 C N3 N 15 196.109 0.2 . 1 . . . . . . . . 5852 1 59 . 1 1 4 4 C N4 N 15 97.292 0.2 . 1 . . . . . . . . 5852 1 60 . 1 1 4 4 C H1' H 1 5.392 0.01 . 1 . . . . . . . . 5852 1 61 . 1 1 4 4 C H2' H 1 4.596 0.01 . 1 . . . . . . . . 5852 1 62 . 1 1 4 4 C H3' H 1 4.236 0.01 . 1 . . . . . . . . 5852 1 63 . 1 1 4 4 C H4' H 1 4.372 0.01 . 1 . . . . . . . . 5852 1 64 . 1 1 4 4 C H5' H 1 4.432 0.01 . 2 . . . . . . . . 5852 1 65 . 1 1 4 4 C H5'' H 1 4.038 0.01 . 2 . . . . . . . . 5852 1 66 . 1 1 4 4 C C1' C 13 94.195 0.2 . 1 . . . . . . . . 5852 1 67 . 1 1 4 4 C C2' C 13 75.278 0.2 . 1 . . . . . . . . 5852 1 68 . 1 1 4 4 C C3' C 13 72.531 0.2 . 1 . . . . . . . . 5852 1 69 . 1 1 4 4 C C4' C 13 82.093 0.2 . 1 . . . . . . . . 5852 1 70 . 1 1 4 4 C C5' C 13 65.309 0.2 . 1 . . . . . . . . 5852 1 71 . 1 1 5 5 G H21 H 1 6.539 0.01 . 1 . . . . . . . . 5852 1 72 . 1 1 5 5 G H22 H 1 6.539 0.01 . 1 . . . . . . . . 5852 1 73 . 1 1 5 5 G H8 H 1 7.825 0.01 . 1 . . . . . . . . 5852 1 74 . 1 1 5 5 G C8 C 13 137.310 0.2 . 1 . . . . . . . . 5852 1 75 . 1 1 5 5 G N2 N 15 77.853 0.2 . 1 . . . . . . . . 5852 1 76 . 1 1 5 5 G N9 N 15 169.956 0.2 . 1 . . . . . . . . 5852 1 77 . 1 1 5 5 G H1' H 1 5.670 0.01 . 1 . . . . . . . . 5852 1 78 . 1 1 5 5 G H2' H 1 4.301 0.01 . 1 . . . . . . . . 5852 1 79 . 1 1 5 5 G H3' H 1 4.729 0.01 . 1 . . . . . . . . 5852 1 80 . 1 1 5 5 G H4' H 1 4.458 0.01 . 1 . . . . . . . . 5852 1 81 . 1 1 5 5 G H5' H 1 4.435 0.01 . 2 . . . . . . . . 5852 1 82 . 1 1 5 5 G H5'' H 1 4.162 0.01 . 2 . . . . . . . . 5852 1 83 . 1 1 5 5 G C1' C 13 92.073 0.2 . 1 . . . . . . . . 5852 1 84 . 1 1 5 5 G C2' C 13 76.353 0.2 . 1 . . . . . . . . 5852 1 85 . 1 1 5 5 G C3' C 13 74.442 0.2 . 1 . . . . . . . . 5852 1 86 . 1 1 5 5 G C4' C 13 82.654 0.2 . 1 . . . . . . . . 5852 1 87 . 1 1 5 5 G C5' C 13 65.304 0.2 . 1 . . . . . . . . 5852 1 88 . 1 1 6 6 A H2 H 1 7.478 0.01 . 1 . . . . . . . . 5852 1 89 . 1 1 6 6 A H61 H 1 6.468 0.01 . 1 . . . . . . . . 5852 1 90 . 1 1 6 6 A H62 H 1 6.468 0.01 . 1 . . . . . . . . 5852 1 91 . 1 1 6 6 A H8 H 1 8.085 0.01 . 1 . . . . . . . . 5852 1 92 . 1 1 6 6 A C2 C 13 153.877 0.2 . 1 . . . . . . . . 5852 1 93 . 1 1 6 6 A C8 C 13 141.558 0.2 . 1 . . . . . . . . 5852 1 94 . 1 1 6 6 A N1 N 15 224.114 0.2 . 1 . . . . . . . . 5852 1 95 . 1 1 6 6 A N3 N 15 216.995 0.2 . 1 . . . . . . . . 5852 1 96 . 1 1 6 6 A N6 N 15 78.500 0.2 . 1 . . . . . . . . 5852 1 97 . 1 1 6 6 A N9 N 15 168.878 0.2 . 1 . . . . . . . . 5852 1 98 . 1 1 6 6 A H1' H 1 5.566 0.01 . 1 . . . . . . . . 5852 1 99 . 1 1 6 6 A H2' H 1 4.647 0.01 . 1 . . . . . . . . 5852 1 100 . 1 1 6 6 A H3' H 1 4.682 0.01 . 1 . . . . . . . . 5852 1 101 . 1 1 6 6 A H4' H 1 4.498 0.01 . 1 . . . . . . . . 5852 1 102 . 1 1 6 6 A H5' H 1 4.460 0.01 . 2 . . . . . . . . 5852 1 103 . 1 1 6 6 A H5'' H 1 4.157 0.01 . 2 . . . . . . . . 5852 1 104 . 1 1 6 6 A C1' C 13 91.674 0.2 . 1 . . . . . . . . 5852 1 105 . 1 1 6 6 A C2' C 13 75.716 0.2 . 1 . . . . . . . . 5852 1 106 . 1 1 6 6 A C3' C 13 74.442 0.2 . 1 . . . . . . . . 5852 1 107 . 1 1 6 6 A C4' C 13 84.000 0.2 . 1 . . . . . . . . 5852 1 108 . 1 1 6 6 A C5' C 13 66.159 0.2 . 1 . . . . . . . . 5852 1 109 . 1 1 7 7 A H2 H 1 7.944 0.01 . 1 . . . . . . . . 5852 1 110 . 1 1 7 7 A H61 H 1 6.403 0.01 . 1 . . . . . . . . 5852 1 111 . 1 1 7 7 A H62 H 1 6.403 0.01 . 1 . . . . . . . . 5852 1 112 . 1 1 7 7 A H8 H 1 7.876 0.01 . 1 . . . . . . . . 5852 1 113 . 1 1 7 7 A C2 C 13 154.939 0.2 . 1 . . . . . . . . 5852 1 114 . 1 1 7 7 A C8 C 13 139.859 0.2 . 1 . . . . . . . . 5852 1 115 . 1 1 7 7 A N1 N 15 226.014 0.2 . 1 . . . . . . . . 5852 1 116 . 1 1 7 7 A N3 N 15 215.493 0.2 . 1 . . . . . . . . 5852 1 117 . 1 1 7 7 A N6 N 15 80.009 0.2 . 1 . . . . . . . . 5852 1 118 . 1 1 7 7 A N9 N 15 169.960 0.2 . 1 . . . . . . . . 5852 1 119 . 1 1 7 7 A H1' H 1 5.764 0.01 . 1 . . . . . . . . 5852 1 120 . 1 1 7 7 A H2' H 1 4.657 0.01 . 1 . . . . . . . . 5852 1 121 . 1 1 7 7 A H3' H 1 4.638 0.01 . 1 . . . . . . . . 5852 1 122 . 1 1 7 7 A H4' H 1 4.478 0.01 . 1 . . . . . . . . 5852 1 123 . 1 1 7 7 A H5' H 1 4.452 0.01 . 2 . . . . . . . . 5852 1 124 . 1 1 7 7 A H5'' H 1 4.210 0.01 . 2 . . . . . . . . 5852 1 125 . 1 1 7 7 A C1' C 13 92.283 0.2 . 1 . . . . . . . . 5852 1 126 . 1 1 7 7 A C2' C 13 75.727 0.2 . 1 . . . . . . . . 5852 1 127 . 1 1 7 7 A C3' C 13 73.506 0.2 . 1 . . . . . . . . 5852 1 128 . 1 1 7 7 A C4' C 13 82.721 0.2 . 1 . . . . . . . . 5852 1 129 . 1 1 7 7 A C5' C 13 65.726 0.2 . 1 . . . . . . . . 5852 1 130 . 1 1 8 8 G H1 H 1 12.227 0.01 . 1 . . . . . . . . 5852 1 131 . 1 1 8 8 G H21 H 1 6.112 0.01 . 1 . . . . . . . . 5852 1 132 . 1 1 8 8 G H22 H 1 6.112 0.01 . 1 . . . . . . . . 5852 1 133 . 1 1 8 8 G H8 H 1 7.527 0.01 . 1 . . . . . . . . 5852 1 134 . 1 1 8 8 G C8 C 13 136.461 0.2 . 1 . . . . . . . . 5852 1 135 . 1 1 8 8 G N1 N 15 147.482 0.2 . 1 . . . . . . . . 5852 1 136 . 1 1 8 8 G N2 N 15 72.610 0.2 . 1 . . . . . . . . 5852 1 137 . 1 1 8 8 G N9 N 15 168.643 0.2 . 1 . . . . . . . . 5852 1 138 . 1 1 8 8 G H1' H 1 4.795 0.01 . 1 . . . . . . . . 5852 1 139 . 1 1 8 8 G H2' H 1 4.424 0.01 . 1 . . . . . . . . 5852 1 140 . 1 1 8 8 G H3' H 1 4.441 0.01 . 1 . . . . . . . . 5852 1 141 . 1 1 8 8 G H4' H 1 4.389 0.01 . 1 . . . . . . . . 5852 1 142 . 1 1 8 8 G H5' H 1 4.343 0.01 . 2 . . . . . . . . 5852 1 143 . 1 1 8 8 G H5'' H 1 4.123 0.01 . 2 . . . . . . . . 5852 1 144 . 1 1 8 8 G C1' C 13 91.652 0.2 . 1 . . . . . . . . 5852 1 145 . 1 1 8 8 G C2' C 13 75.291 0.2 . 1 . . . . . . . . 5852 1 146 . 1 1 8 8 G C3' C 13 73.592 0.2 . 1 . . . . . . . . 5852 1 147 . 1 1 8 8 G C4' C 13 82.513 0.2 . 1 . . . . . . . . 5852 1 148 . 1 1 8 8 G C5' C 13 66.378 0.2 . 1 . . . . . . . . 5852 1 149 . 1 1 9 9 A H2 H 1 7.723 0.01 . 1 . . . . . . . . 5852 1 150 . 1 1 9 9 A H8 H 1 7.701 0.01 . 1 . . . . . . . . 5852 1 151 . 1 1 9 9 A C2 C 13 153.877 0.2 . 1 . . . . . . . . 5852 1 152 . 1 1 9 9 A C8 C 13 139.434 0.2 . 1 . . . . . . . . 5852 1 153 . 1 1 9 9 A N1 N 15 223.187 0.2 . 1 . . . . . . . . 5852 1 154 . 1 1 9 9 A N3 N 15 212.199 0.2 . 1 . . . . . . . . 5852 1 155 . 1 1 9 9 A N6 N 15 84.036 0.2 . 1 . . . . . . . . 5852 1 156 . 1 1 9 9 A N9 N 15 170.331 0.2 . 1 . . . . . . . . 5852 1 157 . 1 1 9 9 A H1' H 1 5.897 0.01 . 1 . . . . . . . . 5852 1 158 . 1 1 9 9 A H2' H 1 4.451 0.01 . 1 . . . . . . . . 5852 1 159 . 1 1 9 9 A H3' H 1 4.503 0.01 . 1 . . . . . . . . 5852 1 160 . 1 1 9 9 A H4' H 1 4.454 0.01 . 1 . . . . . . . . 5852 1 161 . 1 1 9 9 A H5' H 1 4.480 0.01 . 2 . . . . . . . . 5852 1 162 . 1 1 9 9 A H5'' H 1 4.110 0.01 . 2 . . . . . . . . 5852 1 163 . 1 1 9 9 A C1' C 13 93.120 0.2 . 1 . . . . . . . . 5852 1 164 . 1 1 9 9 A C2' C 13 75.504 0.2 . 1 . . . . . . . . 5852 1 165 . 1 1 9 9 A C3' C 13 72.743 0.2 . 1 . . . . . . . . 5852 1 166 . 1 1 9 9 A C4' C 13 82.088 0.2 . 1 . . . . . . . . 5852 1 167 . 1 1 9 9 A C5' C 13 65.501 0.2 . 1 . . . . . . . . 5852 1 168 . 1 1 10 10 C H41 H 1 8.106 0.01 . 1 . . . . . . . . 5852 1 169 . 1 1 10 10 C H42 H 1 6.661 0.01 . 1 . . . . . . . . 5852 1 170 . 1 1 10 10 C H5 H 1 4.981 0.01 . 1 . . . . . . . . 5852 1 171 . 1 1 10 10 C H6 H 1 7.198 0.01 . 1 . . . . . . . . 5852 1 172 . 1 1 10 10 C C5 C 13 97.805 0.2 . 1 . . . . . . . . 5852 1 173 . 1 1 10 10 C C6 C 13 139.434 0.2 . 1 . . . . . . . . 5852 1 174 . 1 1 10 10 C N1 N 15 150.253 0.2 . 1 . . . . . . . . 5852 1 175 . 1 1 10 10 C N3 N 15 195.948 0.2 . 1 . . . . . . . . 5852 1 176 . 1 1 10 10 C N4 N 15 98.384 0.2 . 1 . . . . . . . . 5852 1 177 . 1 1 10 10 C H1' H 1 5.423 0.01 . 1 . . . . . . . . 5852 1 178 . 1 1 10 10 C H2' H 1 4.326 0.01 . 1 . . . . . . . . 5852 1 179 . 1 1 10 10 C H3' H 1 4.309 0.01 . 1 . . . . . . . . 5852 1 180 . 1 1 10 10 C H4' H 1 4.349 0.01 . 1 . . . . . . . . 5852 1 181 . 1 1 10 10 C H5' H 1 4.457 0.01 . 2 . . . . . . . . 5852 1 182 . 1 1 10 10 C H5'' H 1 4.037 0.01 . 2 . . . . . . . . 5852 1 183 . 1 1 10 10 C C1' C 13 93.582 0.2 . 1 . . . . . . . . 5852 1 184 . 1 1 10 10 C C2' C 13 76.120 0.2 . 1 . . . . . . . . 5852 1 185 . 1 1 10 10 C C3' C 13 71.893 0.2 . 1 . . . . . . . . 5852 1 186 . 1 1 10 10 C C4' C 13 81.663 0.2 . 1 . . . . . . . . 5852 1 187 . 1 1 10 10 C C5' C 13 64.468 0.2 . 1 . . . . . . . . 5852 1 188 . 1 1 11 11 G H21 H 1 6.553 0.01 . 1 . . . . . . . . 5852 1 189 . 1 1 11 11 G H22 H 1 6.553 0.01 . 1 . . . . . . . . 5852 1 190 . 1 1 11 11 G H8 H 1 7.492 0.01 . 1 . . . . . . . . 5852 1 191 . 1 1 11 11 G C8 C 13 136.461 0.2 . 1 . . . . . . . . 5852 1 192 . 1 1 11 11 G N2 N 15 77.248 0.2 . 1 . . . . . . . . 5852 1 193 . 1 1 11 11 G N9 N 15 169.761 0.2 . 1 . . . . . . . . 5852 1 194 . 1 1 11 11 G H1' H 1 5.648 0.01 . 1 . . . . . . . . 5852 1 195 . 1 1 11 11 G H2' H 1 4.425 0.01 . 1 . . . . . . . . 5852 1 196 . 1 1 11 11 G H3' H 1 4.658 0.01 . 1 . . . . . . . . 5852 1 197 . 1 1 11 11 G H4' H 1 4.375 0.01 . 1 . . . . . . . . 5852 1 198 . 1 1 11 11 G H5' H 1 4.383 0.01 . 2 . . . . . . . . 5852 1 199 . 1 1 11 11 G H5'' H 1 4.092 0.01 . 2 . . . . . . . . 5852 1 200 . 1 1 11 11 G C1' C 13 92.708 0.2 . 1 . . . . . . . . 5852 1 201 . 1 1 11 11 G C2' C 13 76.141 0.2 . 1 . . . . . . . . 5852 1 202 . 1 1 11 11 G C3' C 13 73.161 0.2 . 1 . . . . . . . . 5852 1 203 . 1 1 11 11 G C4' C 13 82.303 0.2 . 1 . . . . . . . . 5852 1 204 . 1 1 11 11 G C5' C 13 64.882 0.2 . 1 . . . . . . . . 5852 1 205 . 1 1 12 12 A H2 H 1 7.807 0.01 . 1 . . . . . . . . 5852 1 206 . 1 1 12 12 A H61 H 1 6.462 0.01 . 1 . . . . . . . . 5852 1 207 . 1 1 12 12 A H62 H 1 6.462 0.01 . 1 . . . . . . . . 5852 1 208 . 1 1 12 12 A H8 H 1 8.358 0.01 . 1 . . . . . . . . 5852 1 209 . 1 1 12 12 A C2 C 13 154.514 0.2 . 1 . . . . . . . . 5852 1 210 . 1 1 12 12 A C8 C 13 142.408 0.2 . 1 . . . . . . . . 5852 1 211 . 1 1 12 12 A N1 N 15 224.955 0.2 . 1 . . . . . . . . 5852 1 212 . 1 1 12 12 A N3 N 15 216.220 0.2 . 1 . . . . . . . . 5852 1 213 . 1 1 12 12 A N6 N 15 78.500 0.2 . 1 . . . . . . . . 5852 1 214 . 1 1 12 12 A N9 N 15 168.915 0.2 . 1 . . . . . . . . 5852 1 215 . 1 1 12 12 A H1' H 1 5.682 0.01 . 1 . . . . . . . . 5852 1 216 . 1 1 12 12 A H2' H 1 4.729 0.01 . 1 . . . . . . . . 5852 1 217 . 1 1 12 12 A H3' H 1 4.449 0.01 . 1 . . . . . . . . 5852 1 218 . 1 1 12 12 A H4' H 1 4.201 0.01 . 1 . . . . . . . . 5852 1 219 . 1 1 12 12 A H5' H 1 4.198 0.01 . 2 . . . . . . . . 5852 1 220 . 1 1 12 12 A H5'' H 1 3.950 0.01 . 2 . . . . . . . . 5852 1 221 . 1 1 12 12 A C1' C 13 91.433 0.2 . 1 . . . . . . . . 5852 1 222 . 1 1 12 12 A C2' C 13 75.936 0.2 . 1 . . . . . . . . 5852 1 223 . 1 1 12 12 A C3' C 13 74.301 0.2 . 1 . . . . . . . . 5852 1 224 . 1 1 12 12 A C4' C 13 83.798 0.2 . 1 . . . . . . . . 5852 1 225 . 1 1 12 12 A C5' C 13 65.094 0.2 . 1 . . . . . . . . 5852 1 226 . 1 1 13 13 A H2 H 1 7.778 0.01 . 1 . . . . . . . . 5852 1 227 . 1 1 13 13 A H61 H 1 6.364 0.01 . 1 . . . . . . . . 5852 1 228 . 1 1 13 13 A H62 H 1 6.364 0.01 . 1 . . . . . . . . 5852 1 229 . 1 1 13 13 A H8 H 1 7.925 0.01 . 1 . . . . . . . . 5852 1 230 . 1 1 13 13 A C2 C 13 154.514 0.2 . 1 . . . . . . . . 5852 1 231 . 1 1 13 13 A C8 C 13 140.496 0.2 . 1 . . . . . . . . 5852 1 232 . 1 1 13 13 A N1 N 15 226.204 0.2 . 1 . . . . . . . . 5852 1 233 . 1 1 13 13 A N3 N 15 215.366 0.2 . 1 . . . . . . . . 5852 1 234 . 1 1 13 13 A N6 N 15 79.744 0.2 . 1 . . . . . . . . 5852 1 235 . 1 1 13 13 A N9 N 15 169.614 0.2 . 1 . . . . . . . . 5852 1 236 . 1 1 13 13 A H1' H 1 5.431 0.01 . 1 . . . . . . . . 5852 1 237 . 1 1 13 13 A H2' H 1 4.343 0.01 . 1 . . . . . . . . 5852 1 238 . 1 1 13 13 A H3' H 1 4.554 0.01 . 1 . . . . . . . . 5852 1 239 . 1 1 13 13 A H4' H 1 4.242 0.01 . 1 . . . . . . . . 5852 1 240 . 1 1 13 13 A H5' H 1 3.878 0.01 . 2 . . . . . . . . 5852 1 241 . 1 1 13 13 A H5'' H 1 3.953 0.01 . 2 . . . . . . . . 5852 1 242 . 1 1 13 13 A C1' C 13 92.070 0.2 . 1 . . . . . . . . 5852 1 243 . 1 1 13 13 A C2' C 13 76.566 0.2 . 1 . . . . . . . . 5852 1 244 . 1 1 13 13 A C3' C 13 74.867 0.2 . 1 . . . . . . . . 5852 1 245 . 1 1 13 13 A C4' C 13 83.796 0.2 . 1 . . . . . . . . 5852 1 246 . 1 1 13 13 A C5' C 13 65.502 0.2 . 1 . . . . . . . . 5852 1 247 . 1 1 14 14 A H2 H 1 8.064 0.01 . 1 . . . . . . . . 5852 1 248 . 1 1 14 14 A H61 H 1 6.850 0.01 . 1 . . . . . . . . 5852 1 249 . 1 1 14 14 A H62 H 1 6.850 0.01 . 1 . . . . . . . . 5852 1 250 . 1 1 14 14 A H8 H 1 8.182 0.01 . 1 . . . . . . . . 5852 1 251 . 1 1 14 14 A C2 C 13 155.357 0.2 . 1 . . . . . . . . 5852 1 252 . 1 1 14 14 A C8 C 13 141.133 0.2 . 1 . . . . . . . . 5852 1 253 . 1 1 14 14 A N1 N 15 226.319 0.2 . 1 . . . . . . . . 5852 1 254 . 1 1 14 14 A N3 N 15 217.607 0.2 . 1 . . . . . . . . 5852 1 255 . 1 1 14 14 A N6 N 15 80.507 0.2 . 1 . . . . . . . . 5852 1 256 . 1 1 14 14 A N9 N 15 172.305 0.2 . 1 . . . . . . . . 5852 1 257 . 1 1 14 14 A H1' H 1 6.014 0.01 . 1 . . . . . . . . 5852 1 258 . 1 1 14 14 A H2' H 1 4.586 0.01 . 1 . . . . . . . . 5852 1 259 . 1 1 14 14 A H3' H 1 5.149 0.01 . 1 . . . . . . . . 5852 1 260 . 1 1 14 14 A H4' H 1 4.460 0.01 . 1 . . . . . . . . 5852 1 261 . 1 1 14 14 A H5' H 1 4.486 0.01 . 2 . . . . . . . . 5852 1 262 . 1 1 14 14 A H5'' H 1 4.348 0.01 . 2 . . . . . . . . 5852 1 263 . 1 1 14 14 A C1' C 13 92.075 0.2 . 1 . . . . . . . . 5852 1 264 . 1 1 14 14 A C2' C 13 76.862 0.2 . 1 . . . . . . . . 5852 1 265 . 1 1 14 14 A C3' C 13 74.027 0.2 . 1 . . . . . . . . 5852 1 266 . 1 1 14 14 A C4' C 13 82.725 0.2 . 1 . . . . . . . . 5852 1 267 . 1 1 14 14 A C5' C 13 66.159 0.2 . 1 . . . . . . . . 5852 1 268 . 1 1 15 15 G H1 H 1 12.952 0.01 . 1 . . . . . . . . 5852 1 269 . 1 1 15 15 G H8 H 1 7.825 0.01 . 1 . . . . . . . . 5852 1 270 . 1 1 15 15 G C8 C 13 137.310 0.2 . 1 . . . . . . . . 5852 1 271 . 1 1 15 15 G N1 N 15 147.894 0.2 . 1 . . . . . . . . 5852 1 272 . 1 1 15 15 G N2 N 15 74.839 0.2 . 1 . . . . . . . . 5852 1 273 . 1 1 15 15 G N9 N 15 168.799 0.2 . 1 . . . . . . . . 5852 1 274 . 1 1 15 15 G H1' H 1 3.736 0.01 . 1 . . . . . . . . 5852 1 275 . 1 1 15 15 G H2' H 1 4.225 0.01 . 1 . . . . . . . . 5852 1 276 . 1 1 15 15 G H3' H 1 4.089 0.01 . 1 . . . . . . . . 5852 1 277 . 1 1 15 15 G H4' H 1 4.226 0.01 . 1 . . . . . . . . 5852 1 278 . 1 1 15 15 G H5' H 1 4.294 0.01 . 2 . . . . . . . . 5852 1 279 . 1 1 15 15 G H5'' H 1 4.198 0.01 . 2 . . . . . . . . 5852 1 280 . 1 1 15 15 G C1' C 13 93.112 0.2 . 1 . . . . . . . . 5852 1 281 . 1 1 15 15 G C2' C 13 74.654 0.2 . 1 . . . . . . . . 5852 1 282 . 1 1 15 15 G C3' C 13 74.446 0.2 . 1 . . . . . . . . 5852 1 283 . 1 1 15 15 G C4' C 13 82.938 0.2 . 1 . . . . . . . . 5852 1 284 . 1 1 15 15 G C5' C 13 69.557 0.2 . 1 . . . . . . . . 5852 1 285 . 1 1 16 16 U H3 H 1 14.184 0.01 . 1 . . . . . . . . 5852 1 286 . 1 1 16 16 U H5 H 1 5.003 0.01 . 1 . . . . . . . . 5852 1 287 . 1 1 16 16 U H6 H 1 7.654 0.01 . 1 . . . . . . . . 5852 1 288 . 1 1 16 16 U C5 C 13 102.478 0.2 . 1 . . . . . . . . 5852 1 289 . 1 1 16 16 U C6 C 13 141.983 0.2 . 1 . . . . . . . . 5852 1 290 . 1 1 16 16 U N1 N 15 147.066 0.2 . 1 . . . . . . . . 5852 1 291 . 1 1 16 16 U N3 N 15 162.533 0.2 . 1 . . . . . . . . 5852 1 292 . 1 1 16 16 U H1' H 1 5.555 0.01 . 1 . . . . . . . . 5852 1 293 . 1 1 16 16 U H2' H 1 4.475 0.01 . 1 . . . . . . . . 5852 1 294 . 1 1 16 16 U H3' H 1 4.416 0.01 . 1 . . . . . . . . 5852 1 295 . 1 1 16 16 U H4' H 1 4.347 0.01 . 1 . . . . . . . . 5852 1 296 . 1 1 16 16 U H5' H 1 4.429 0.01 . 2 . . . . . . . . 5852 1 297 . 1 1 16 16 U H5'' H 1 4.016 0.01 . 2 . . . . . . . . 5852 1 298 . 1 1 16 16 U C1' C 13 93.770 0.2 . 1 . . . . . . . . 5852 1 299 . 1 1 16 16 U C2' C 13 75.282 0.2 . 1 . . . . . . . . 5852 1 300 . 1 1 16 16 U C3' C 13 72.106 0.2 . 1 . . . . . . . . 5852 1 301 . 1 1 16 16 U C4' C 13 82.100 0.2 . 1 . . . . . . . . 5852 1 302 . 1 1 16 16 U C5' C 13 64.052 0.2 . 1 . . . . . . . . 5852 1 303 . 1 1 17 17 C H41 H 1 7.904 0.01 . 1 . . . . . . . . 5852 1 304 . 1 1 17 17 C H42 H 1 6.586 0.01 . 1 . . . . . . . . 5852 1 305 . 1 1 17 17 C H5 H 1 5.364 0.01 . 1 . . . . . . . . 5852 1 306 . 1 1 17 17 C H6 H 1 7.410 0.01 . 1 . . . . . . . . 5852 1 307 . 1 1 17 17 C C5 C 13 97.805 0.2 . 1 . . . . . . . . 5852 1 308 . 1 1 17 17 C C6 C 13 140.921 0.2 . 1 . . . . . . . . 5852 1 309 . 1 1 17 17 C N1 N 15 151.024 0.2 . 1 . . . . . . . . 5852 1 310 . 1 1 17 17 C N3 N 15 197.491 0.2 . 1 . . . . . . . . 5852 1 311 . 1 1 17 17 C N4 N 15 96.260 0.2 . 1 . . . . . . . . 5852 1 312 . 1 1 17 17 C H1' H 1 5.539 0.01 . 1 . . . . . . . . 5852 1 313 . 1 1 17 17 C H2' H 1 4.156 0.01 . 1 . . . . . . . . 5852 1 314 . 1 1 17 17 C H3' H 1 4.230 0.01 . 1 . . . . . . . . 5852 1 315 . 1 1 17 17 C H4' H 1 4.355 0.01 . 1 . . . . . . . . 5852 1 316 . 1 1 17 17 C H5' H 1 4.475 0.01 . 2 . . . . . . . . 5852 1 317 . 1 1 17 17 C H5'' H 1 4.098 0.01 . 2 . . . . . . . . 5852 1 318 . 1 1 17 17 C C1' C 13 94.404 0.2 . 1 . . . . . . . . 5852 1 319 . 1 1 17 17 C C2' C 13 75.929 0.2 . 1 . . . . . . . . 5852 1 320 . 1 1 17 17 C C3' C 13 72.532 0.2 . 1 . . . . . . . . 5852 1 321 . 1 1 17 17 C C4' C 13 82.093 0.2 . 1 . . . . . . . . 5852 1 322 . 1 1 17 17 C C5' C 13 65.521 0.2 . 1 . . . . . . . . 5852 1 323 . 1 1 18 18 G H21 H 1 6.661 0.01 . 1 . . . . . . . . 5852 1 324 . 1 1 18 18 G H22 H 1 6.661 0.01 . 1 . . . . . . . . 5852 1 325 . 1 1 18 18 G H8 H 1 8.027 0.01 . 1 . . . . . . . . 5852 1 326 . 1 1 18 18 G C8 C 13 138.160 0.2 . 1 . . . . . . . . 5852 1 327 . 1 1 18 18 G N2 N 15 77.378 0.2 . 1 . . . . . . . . 5852 1 328 . 1 1 18 18 G N9 N 15 169.515 0.2 . 1 . . . . . . . . 5852 1 329 . 1 1 18 18 G H1' H 1 5.555 0.01 . 1 . . . . . . . . 5852 1 330 . 1 1 18 18 G H2' H 1 4.586 0.01 . 1 . . . . . . . . 5852 1 331 . 1 1 18 18 G H3' H 1 4.844 0.01 . 1 . . . . . . . . 5852 1 332 . 1 1 18 18 G H4' H 1 4.522 0.01 . 1 . . . . . . . . 5852 1 333 . 1 1 18 18 G H5' H 1 4.238 0.01 . 2 . . . . . . . . 5852 1 334 . 1 1 18 18 G H5'' H 1 4.150 0.01 . 2 . . . . . . . . 5852 1 335 . 1 1 18 18 G C1' C 13 90.584 0.2 . 1 . . . . . . . . 5852 1 336 . 1 1 18 18 G C2' C 13 76.980 0.2 . 1 . . . . . . . . 5852 1 337 . 1 1 18 18 G C3' C 13 75.943 0.2 . 1 . . . . . . . . 5852 1 338 . 1 1 18 18 G C4' C 13 85.262 0.2 . 1 . . . . . . . . 5852 1 339 . 1 1 18 18 G C5' C 13 66.583 0.2 . 1 . . . . . . . . 5852 1 340 . 1 1 19 19 A H2 H 1 7.675 0.01 . 1 . . . . . . . . 5852 1 341 . 1 1 19 19 A H61 H 1 6.774 0.01 . 1 . . . . . . . . 5852 1 342 . 1 1 19 19 A H62 H 1 6.774 0.01 . 1 . . . . . . . . 5852 1 343 . 1 1 19 19 A H8 H 1 7.773 0.01 . 1 . . . . . . . . 5852 1 344 . 1 1 19 19 A C2 C 13 154.079 0.2 . 1 . . . . . . . . 5852 1 345 . 1 1 19 19 A C8 C 13 140.284 0.2 . 1 . . . . . . . . 5852 1 346 . 1 1 19 19 A N1 N 15 224.493 0.2 . 1 . . . . . . . . 5852 1 347 . 1 1 19 19 A N3 N 15 215.402 0.2 . 1 . . . . . . . . 5852 1 348 . 1 1 19 19 A N6 N 15 81.900 0.2 . 1 . . . . . . . . 5852 1 349 . 1 1 19 19 A N9 N 15 169.930 0.2 . 1 . . . . . . . . 5852 1 350 . 1 1 19 19 A H1' H 1 5.544 0.01 . 1 . . . . . . . . 5852 1 351 . 1 1 19 19 A H2' H 1 4.631 0.01 . 1 . . . . . . . . 5852 1 352 . 1 1 19 19 A H3' H 1 4.453 0.01 . 1 . . . . . . . . 5852 1 353 . 1 1 19 19 A H4' H 1 4.468 0.01 . 1 . . . . . . . . 5852 1 354 . 1 1 19 19 A H5' H 1 4.427 0.01 . 2 . . . . . . . . 5852 1 355 . 1 1 19 19 A H5'' H 1 4.232 0.01 . 2 . . . . . . . . 5852 1 356 . 1 1 19 19 A C1' C 13 92.283 0.2 . 1 . . . . . . . . 5852 1 357 . 1 1 19 19 A C2' C 13 75.758 0.2 . 1 . . . . . . . . 5852 1 358 . 1 1 19 19 A C3' C 13 74.229 0.2 . 1 . . . . . . . . 5852 1 359 . 1 1 19 19 A C4' C 13 82.480 0.2 . 1 . . . . . . . . 5852 1 360 . 1 1 19 19 A C5' C 13 67.428 0.2 . 1 . . . . . . . . 5852 1 361 . 1 1 20 20 G H1 H 1 13.129 0.01 . 1 . . . . . . . . 5852 1 362 . 1 1 20 20 G H8 H 1 7.565 0.01 . 1 . . . . . . . . 5852 1 363 . 1 1 20 20 G C8 C 13 136.438 0.2 . 1 . . . . . . . . 5852 1 364 . 1 1 20 20 G N1 N 15 149.023 0.2 . 1 . . . . . . . . 5852 1 365 . 1 1 20 20 G N2 N 15 74.823 0.2 . 1 . . . . . . . . 5852 1 366 . 1 1 20 20 G N9 N 15 168.757 0.2 . 1 . . . . . . . . 5852 1 367 . 1 1 20 20 G H1' H 1 4.098 0.01 . 1 . . . . . . . . 5852 1 368 . 1 1 20 20 G H2' H 1 4.287 0.01 . 1 . . . . . . . . 5852 1 369 . 1 1 20 20 G H3' H 1 4.250 0.01 . 1 . . . . . . . . 5852 1 370 . 1 1 20 20 G H4' H 1 4.255 0.01 . 1 . . . . . . . . 5852 1 371 . 1 1 20 20 G H5' H 1 4.222 0.01 . 2 . . . . . . . . 5852 1 372 . 1 1 20 20 G H5'' H 1 4.113 0.01 . 2 . . . . . . . . 5852 1 373 . 1 1 20 20 G C1' C 13 92.283 0.2 . 1 . . . . . . . . 5852 1 374 . 1 1 20 20 G C2' C 13 74.653 0.2 . 1 . . . . . . . . 5852 1 375 . 1 1 20 20 G C3' C 13 73.592 0.2 . 1 . . . . . . . . 5852 1 376 . 1 1 20 20 G C4' C 13 82.305 0.2 . 1 . . . . . . . . 5852 1 377 . 1 1 20 20 G C5' C 13 67.002 0.2 . 1 . . . . . . . . 5852 1 378 . 1 1 21 21 C H41 H 1 8.532 0.01 . 1 . . . . . . . . 5852 1 379 . 1 1 21 21 C H42 H 1 6.798 0.01 . 1 . . . . . . . . 5852 1 380 . 1 1 21 21 C H5 H 1 5.180 0.01 . 1 . . . . . . . . 5852 1 381 . 1 1 21 21 C H6 H 1 7.567 0.01 . 1 . . . . . . . . 5852 1 382 . 1 1 21 21 C C5 C 13 96.956 0.2 . 1 . . . . . . . . 5852 1 383 . 1 1 21 21 C C6 C 13 141.346 0.2 . 1 . . . . . . . . 5852 1 384 . 1 1 21 21 C N1 N 15 151.039 0.2 . 1 . . . . . . . . 5852 1 385 . 1 1 21 21 C N3 N 15 197.526 0.2 . 1 . . . . . . . . 5852 1 386 . 1 1 21 21 C N4 N 15 98.543 0.2 . 1 . . . . . . . . 5852 1 387 . 1 1 21 21 C H1' H 1 5.465 0.01 . 1 . . . . . . . . 5852 1 388 . 1 1 21 21 C H2' H 1 4.351 0.01 . 1 . . . . . . . . 5852 1 389 . 1 1 21 21 C H3' H 1 4.380 0.01 . 1 . . . . . . . . 5852 1 390 . 1 1 21 21 C H4' H 1 4.368 0.01 . 1 . . . . . . . . 5852 1 391 . 1 1 21 21 C H5' H 1 4.432 0.01 . 2 . . . . . . . . 5852 1 392 . 1 1 21 21 C H5'' H 1 4.021 0.01 . 2 . . . . . . . . 5852 1 393 . 1 1 21 21 C C1' C 13 94.196 0.2 . 1 . . . . . . . . 5852 1 394 . 1 1 21 21 C C2' C 13 75.291 0.2 . 1 . . . . . . . . 5852 1 395 . 1 1 21 21 C C3' C 13 72.106 0.2 . 1 . . . . . . . . 5852 1 396 . 1 1 21 21 C C4' C 13 82.088 0.2 . 1 . . . . . . . . 5852 1 397 . 1 1 21 21 C C5' C 13 64.705 0.2 . 1 . . . . . . . . 5852 1 398 . 1 1 22 22 U H3 H 1 14.246 0.01 . 1 . . . . . . . . 5852 1 399 . 1 1 22 22 U H5 H 1 5.401 0.01 . 1 . . . . . . . . 5852 1 400 . 1 1 22 22 U H6 H 1 7.916 0.01 . 1 . . . . . . . . 5852 1 401 . 1 1 22 22 U C5 C 13 103.343 0.2 . 1 . . . . . . . . 5852 1 402 . 1 1 22 22 U C6 C 13 142.195 0.2 . 1 . . . . . . . . 5852 1 403 . 1 1 22 22 U N1 N 15 146.743 0.2 . 1 . . . . . . . . 5852 1 404 . 1 1 22 22 U N3 N 15 162.831 0.2 . 1 . . . . . . . . 5852 1 405 . 1 1 22 22 U H1' H 1 5.573 0.01 . 1 . . . . . . . . 5852 1 406 . 1 1 22 22 U H2' H 1 4.307 0.01 . 1 . . . . . . . . 5852 1 407 . 1 1 22 22 U H3' H 1 4.535 0.01 . 1 . . . . . . . . 5852 1 408 . 1 1 22 22 U H4' H 1 4.382 0.01 . 1 . . . . . . . . 5852 1 409 . 1 1 22 22 U H5' H 1 4.551 0.01 . 2 . . . . . . . . 5852 1 410 . 1 1 22 22 U H5'' H 1 4.051 0.01 . 2 . . . . . . . . 5852 1 411 . 1 1 22 22 U C1' C 13 93.991 0.2 . 1 . . . . . . . . 5852 1 412 . 1 1 22 22 U C2' C 13 75.291 0.2 . 1 . . . . . . . . 5852 1 413 . 1 1 22 22 U C3' C 13 71.893 0.2 . 1 . . . . . . . . 5852 1 414 . 1 1 22 22 U C4' C 13 82.093 0.2 . 1 . . . . . . . . 5852 1 415 . 1 1 22 22 U C5' C 13 64.257 0.2 . 1 . . . . . . . . 5852 1 416 . 1 1 23 23 C H41 H 1 8.227 0.01 . 1 . . . . . . . . 5852 1 417 . 1 1 23 23 C H42 H 1 6.983 0.01 . 1 . . . . . . . . 5852 1 418 . 1 1 23 23 C H5 H 1 5.676 0.01 . 1 . . . . . . . . 5852 1 419 . 1 1 23 23 C H6 H 1 7.750 0.01 . 1 . . . . . . . . 5852 1 420 . 1 1 23 23 C C5 C 13 97.834 0.2 . 1 . . . . . . . . 5852 1 421 . 1 1 23 23 C C6 C 13 142.408 0.2 . 1 . . . . . . . . 5852 1 422 . 1 1 23 23 C N1 N 15 152.693 0.2 . 1 . . . . . . . . 5852 1 423 . 1 1 23 23 C N4 N 15 97.316 0.2 . 1 . . . . . . . . 5852 1 424 . 1 1 23 23 C H1' H 1 5.829 0.01 . 1 . . . . . . . . 5852 1 425 . 1 1 23 23 C H2' H 1 3.983 0.01 . 1 . . . . . . . . 5852 1 426 . 1 1 23 23 C H3' H 1 4.185 0.01 . 1 . . . . . . . . 5852 1 427 . 1 1 23 23 C H4' H 1 4.175 0.01 . 1 . . . . . . . . 5852 1 428 . 1 1 23 23 C H5' H 1 4.472 0.01 . 2 . . . . . . . . 5852 1 429 . 1 1 23 23 C H5'' H 1 4.027 0.01 . 2 . . . . . . . . 5852 1 430 . 1 1 23 23 C C1' C 13 92.698 0.2 . 1 . . . . . . . . 5852 1 431 . 1 1 23 23 C C2' C 13 77.403 0.2 . 1 . . . . . . . . 5852 1 432 . 1 1 23 23 C C3' C 13 69.982 0.2 . 1 . . . . . . . . 5852 1 433 . 1 1 23 23 C C4' C 13 83.353 0.2 . 1 . . . . . . . . 5852 1 434 . 1 1 23 23 C C5' C 13 65.296 0.2 . 1 . . . . . . . . 5852 1 stop_ save_