################################### # 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 17671 _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_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-15N HSQC' . . . 17671 1 2 '2D HNN-COSY' . . . 17671 1 3 '2D 1H-1H NOESY' . . . 17671 1 4 '2D 1H-1H TOCSY' . . . 17671 1 5 '2D 1H-13C HMQC' . . . 17671 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 2 2 G H1 H 1 12.53 0.02 . 1 . . . A 2 G H1 . 17671 1 2 . 1 1 2 2 G H1' H 1 5.89 0.02 . . . . . A 2 G H1' . 17671 1 3 . 1 1 2 2 G H2' H 1 4.68 0.02 . . . . . A 2 G H2' . 17671 1 4 . 1 1 2 2 G H3' H 1 4.54 0.02 . . . . . A 2 G H3' . 17671 1 5 . 1 1 2 2 G H4' H 1 4.57 0.02 . . . . . A 2 G H4' . 17671 1 6 . 1 1 2 2 G H5' H 1 4.23 0.02 . . . . . A 2 G H5' . 17671 1 7 . 1 1 2 2 G H8 H 1 7.63 0.02 . 1 . . . A 2 G H8 . 17671 1 8 . 1 1 2 2 G C1' C 13 93.02 0.02 . . . . . A 2 G C1' . 17671 1 9 . 1 1 2 2 G C2' C 13 75.56 0.02 . . . . . A 2 G C2' . 17671 1 10 . 1 1 2 2 G C4' C 13 82.61 0.02 . . . . . A 2 G C4' . 17671 1 11 . 1 1 2 2 G C8 C 13 137.2 0.02 . 1 . . . A 2 G C8 . 17671 1 12 . 1 1 2 2 G N1 N 15 147.82 0.02 . 1 . . . A 2 G N1 . 17671 1 13 . 1 1 3 3 A H1' H 1 6.01 0.02 . . . . . A 3 A H1' . 17671 1 14 . 1 1 3 3 A H2 H 1 7.82 0.02 . 1 . . . A 3 A H2 . 17671 1 15 . 1 1 3 3 A H2' H 1 4.55 0.02 . . . . . A 3 A H2' . 17671 1 16 . 1 1 3 3 A H3' H 1 4.63 0.02 . . . . . A 3 A H3' . 17671 1 17 . 1 1 3 3 A H4' H 1 4.51 0.02 . . . . . A 3 A H4' . 17671 1 18 . 1 1 3 3 A H5' H 1 4.17 0.02 . . . . . A 3 A H5' . 17671 1 19 . 1 1 3 3 A H8 H 1 7.88 0.02 . 1 . . . A 3 A H8 . 17671 1 20 . 1 1 3 3 A C1' C 13 93.33 0.02 . . . . . A 3 A C1' . 17671 1 21 . 1 1 3 3 A C2 C 13 154.17 0.02 . 1 . . . A 3 A C2 . 17671 1 22 . 1 1 3 3 A C2' C 13 72.84 0.02 . . . . . A 3 A C2' . 17671 1 23 . 1 1 3 3 A C3' C 13 75.85 0.02 . . . . . A 3 A C3' . 17671 1 24 . 1 1 3 3 A C4' C 13 82.35 0.02 . . . . . A 3 A C4' . 17671 1 25 . 1 1 3 3 A C8 C 13 139.74 0.02 . 1 . . . A 3 A C8 . 17671 1 26 . 1 1 3 3 A N1 N 15 222.72 0.02 . 1 . . . A 3 A N1 . 17671 1 27 . 1 1 4 4 U H1' H 1 5.52 0.02 . . . . . A 4 U H1' . 17671 1 28 . 1 1 4 4 U H2' H 1 4.39 0.02 . . . . . A 4 U H2' . 17671 1 29 . 1 1 4 4 U H3 H 1 14.2 0.02 . 1 . . . A 4 U H3 . 17671 1 30 . 1 1 4 4 U H3' H 1 4.43 0.02 . . . . . A 4 U H3' . 17671 1 31 . 1 1 4 4 U H4' H 1 4.42 0.02 . . . . . A 4 U H4' . 17671 1 32 . 1 1 4 4 U H5 H 1 5.05 0.02 . 1 . . . A 4 U H5 . 17671 1 33 . 1 1 4 4 U H5' H 1 4.09 0.02 . . . . . A 4 U H5' . 17671 1 34 . 1 1 4 4 U H6 H 1 7.67 0.02 . 1 . . . A 4 U H6 . 17671 1 35 . 1 1 4 4 U C1' C 13 93.58 0.02 . . . . . A 4 U C1' . 17671 1 36 . 1 1 4 4 U C2' C 13 75.62 0.02 . . . . . A 4 U C2' . 17671 1 37 . 1 1 4 4 U C3' C 13 72.49 0.02 . . . . . A 4 U C3' . 17671 1 38 . 1 1 4 4 U C4' C 13 82.2 0.02 . . . . . A 4 U C4' . 17671 1 39 . 1 1 4 4 U C5 C 13 102.88 0.02 . 1 . . . A 4 U C5 . 17671 1 40 . 1 1 4 4 U C6 C 13 141.62 0.02 . 1 . . . A 4 U C6 . 17671 1 41 . 1 1 4 4 U N3 N 15 163.49 0.02 . 1 . . . A 4 U N3 . 17671 1 42 . 1 1 5 5 C H1' H 1 5.57 0.02 . . . . . A 5 C H1' . 17671 1 43 . 1 1 5 5 C H2' H 1 4.38 0.02 . . . . . A 5 C H2' . 17671 1 44 . 1 1 5 5 C H3' H 1 4.46 0.02 . . . . . A 5 C H3' . 17671 1 45 . 1 1 5 5 C H4' H 1 4.46 0.02 . . . . . A 5 C H4' . 17671 1 46 . 1 1 5 5 C H5 H 1 5.61 0.02 . 1 . . . A 5 C H5 . 17671 1 47 . 1 1 5 5 C H5' H 1 4.55 0.02 . . . . . A 5 C H5' . 17671 1 48 . 1 1 5 5 C H5'' H 1 4.11 0.02 . 2 . . . A 5 C H5'' . 17671 1 49 . 1 1 5 5 C H6 H 1 7.84 0.02 . 1 . . . A 5 C H6 . 17671 1 50 . 1 1 5 5 C C1' C 13 94.26 0.02 . . . . . A 5 C C1' . 17671 1 51 . 1 1 5 5 C C2' C 13 75.68 0.02 . . . . . A 5 C C2' . 17671 1 52 . 1 1 5 5 C C3' C 13 72.67 0.02 . . . . . A 5 C C3' . 17671 1 53 . 1 1 5 5 C C4' C 13 82.1 0.02 . . . . . A 5 C C4' . 17671 1 54 . 1 1 5 5 C C5 C 13 97.8 0.02 . 1 . . . A 5 C C5 . 17671 1 55 . 1 1 5 5 C C6 C 13 141.81 0.02 . 1 . . . A 5 C C6 . 17671 1 56 . 1 1 5 5 C N3 N 15 197.97 0.02 . 1 . . . A 5 C N3 . 17671 1 57 . 1 1 6 6 C H1' H 1 5.47 0.02 . . . . . A 6 C H1' . 17671 1 58 . 1 1 6 6 C H2' H 1 4.45 0.02 . . . . . A 6 C H2' . 17671 1 59 . 1 1 6 6 C H3' H 1 4.55 0.02 . . . . . A 6 C H3' . 17671 1 60 . 1 1 6 6 C H4' H 1 4.42 0.02 . . . . . A 6 C H4' . 17671 1 61 . 1 1 6 6 C H5 H 1 5.57 0.02 . 1 . . . A 6 C H5 . 17671 1 62 . 1 1 6 6 C H5' H 1 4.11 0.02 . . . . . A 6 C H5' . 17671 1 63 . 1 1 6 6 C H6 H 1 7.76 0.02 . 1 . . . A 6 C H6 . 17671 1 64 . 1 1 6 6 C C1' C 13 93.78 0.02 . . . . . A 6 C C1' . 17671 1 65 . 1 1 6 6 C C2' C 13 75.84 0.02 . . . . . A 6 C C2' . 17671 1 66 . 1 1 6 6 C C3' C 13 73.1 0.02 . . . . . A 6 C C3' . 17671 1 67 . 1 1 6 6 C C4' C 13 82.13 0.02 . . . . . A 6 C C4' . 17671 1 68 . 1 1 6 6 C C5 C 13 98.15 0.02 . 1 . . . A 6 C C5 . 17671 1 69 . 1 1 6 6 C C6 C 13 141.57 0.02 . 1 . . . A 6 C C6 . 17671 1 70 . 1 1 6 6 C N3 N 15 196.23 0.02 . 1 . . . A 6 C N3 . 17671 1 71 . 1 1 7 7 A H1' H 1 6.04 0.02 . . . . . A 7 A H1' . 17671 1 72 . 1 1 7 7 A H2 H 1 7.93 0.02 . 1 . . . A 7 A H2 . 17671 1 73 . 1 1 7 7 A H2' H 1 4.6 0.02 . . . . . A 7 A H2' . 17671 1 74 . 1 1 7 7 A H3' H 1 4.47 0.02 . . . . . A 7 A H3' . 17671 1 75 . 1 1 7 7 A H4' H 1 4.56 0.02 . . . . . A 7 A H4' . 17671 1 76 . 1 1 7 7 A H5' H 1 4.18 0.02 . . . . . A 7 A H5' . 17671 1 77 . 1 1 7 7 A H8 H 1 8.26 0.02 . 1 . . . A 7 A H8 . 17671 1 78 . 1 1 7 7 A C1' C 13 93.87 0.02 . . . . . A 7 A C1' . 17671 1 79 . 1 1 7 7 A C2 C 13 147.93 0.02 . 1 . . . A 7 A C2 . 17671 1 80 . 1 1 7 7 A C2' C 13 75.56 0.02 . . . . . A 7 A C2' . 17671 1 81 . 1 1 7 7 A C3' C 13 75.79 0.02 . . . . . A 7 A C3' . 17671 1 82 . 1 1 7 7 A C4' C 13 82.7 0.02 . . . . . A 7 A C4' . 17671 1 83 . 1 1 7 7 A C8 C 13 142.72 0.02 . 1 . . . A 7 A C8 . 17671 1 84 . 1 1 8 8 U H1' H 1 5.41 0.02 . . . . . A 8 U H1' . 17671 1 85 . 1 1 8 8 U H2' H 1 4.27 0.02 . . . . . A 8 U H2' . 17671 1 86 . 1 1 8 8 U H3 H 1 14.42 0.02 . 1 . . . A 8 U H3 . 17671 1 87 . 1 1 8 8 U H3' H 1 4.48 0.02 . . . . . A 8 U H3' . 17671 1 88 . 1 1 8 8 U H4' H 1 4.44 0.02 . . . . . A 8 U H4' . 17671 1 89 . 1 1 8 8 U H5 H 1 5.26 0.02 . 1 . . . A 8 U H5 . 17671 1 90 . 1 1 8 8 U H5' H 1 4.09 0.02 . . . . . A 8 U H5' . 17671 1 91 . 1 1 8 8 U H6 H 1 7.69 0.02 . 1 . . . A 8 U H6 . 17671 1 92 . 1 1 8 8 U C1' C 13 93.61 0.02 . . . . . A 8 U C1' . 17671 1 93 . 1 1 8 8 U C2' C 13 82.27 0.02 . . . . . A 8 U C2' . 17671 1 94 . 1 1 8 8 U C3' C 13 72.45 0.02 . . . . . A 8 U C3' . 17671 1 95 . 1 1 8 8 U C4' C 13 82.27 0.02 . . . . . A 8 U C4' . 17671 1 96 . 1 1 8 8 U C5 C 13 103.2 0.02 . 1 . . . A 8 U C5 . 17671 1 97 . 1 1 8 8 U C6 C 13 141.5 0.02 . 1 . . . A 8 U C6 . 17671 1 98 . 1 1 8 8 U N3 N 15 163.55 0.02 . 1 . . . A 8 U N3 . 17671 1 99 . 1 1 9 9 U H1' H 1 5.61 0.02 . . . . . A 9 U H1' . 17671 1 100 . 1 1 9 9 U H2' H 1 4.38 0.02 . . . . . A 9 U H2' . 17671 1 101 . 1 1 9 9 U H3 H 1 13.71 0.02 . 1 . . . A 9 U H3 . 17671 1 102 . 1 1 9 9 U H3' H 1 4.48 0.02 . . . . . A 9 U H3' . 17671 1 103 . 1 1 9 9 U H4' H 1 4.38 0.02 . . . . . A 9 U H4' . 17671 1 104 . 1 1 9 9 U H5 H 1 5.48 0.02 . 1 . . . A 9 U H5 . 17671 1 105 . 1 1 9 9 U H5' H 1 4.1 0.02 . . . . . A 9 U H5' . 17671 1 106 . 1 1 9 9 U H6 H 1 7.93 0.02 . 1 . . . A 9 U H6 . 17671 1 107 . 1 1 9 9 U C1' C 13 93.88 0.02 . . . . . A 9 U C1' . 17671 1 108 . 1 1 9 9 U C2' C 13 75.54 0.02 . . . . . A 9 U C2' . 17671 1 109 . 1 1 9 9 U C3' C 13 75.65 0.02 . . . . . A 9 U C3' . 17671 1 110 . 1 1 9 9 U C4' C 13 82.27 0.02 . . . . . A 9 U C4' . 17671 1 111 . 1 1 9 9 U C5 C 13 103.37 0.02 . 1 . . . A 9 U C5 . 17671 1 112 . 1 1 9 9 U C6 C 13 142.59 0.02 . 1 . . . A 9 U C6 . 17671 1 113 . 1 1 9 9 U N3 N 15 163.79 0.02 . 1 . . . A 9 U N3 . 17671 1 114 . 1 1 10 10 C H1' H 1 5.48 0.02 . . . . . A 10 C H1' . 17671 1 115 . 1 1 10 10 C H2' H 1 4.36 0.02 . . . . . A 10 C H2' . 17671 1 116 . 1 1 10 10 C H3' H 1 4.46 0.02 . . . . . A 10 C H3' . 17671 1 117 . 1 1 10 10 C H4' H 1 4.52 0.02 . . . . . A 10 C H4' . 17671 1 118 . 1 1 10 10 C H5 H 1 5.54 0.02 . 1 . . . A 10 C H5 . 17671 1 119 . 1 1 10 10 C H5' H 1 4.1 0.02 . . . . . A 10 C H5' . 17671 1 120 . 1 1 10 10 C H6 H 1 7.71 0.02 . . . . . A 10 C H6 . 17671 1 121 . 1 1 10 10 C C1' C 13 94.17 0.02 . . . . . A 10 C C1' . 17671 1 122 . 1 1 10 10 C C2' C 13 75.61 0.02 . . . . . A 10 C C2' . 17671 1 123 . 1 1 10 10 C C3' C 13 72.67 0.02 . . . . . A 10 C C3' . 17671 1 124 . 1 1 10 10 C C4' C 13 82.31 0.02 . . . . . A 10 C C4' . 17671 1 125 . 1 1 10 10 C C5 C 13 97.97 0.02 . 1 . . . A 10 C C5 . 17671 1 126 . 1 1 10 10 C C6 C 13 141.36 0.02 . 1 . . . A 10 C C6 . 17671 1 127 . 1 1 10 10 C N3 N 15 196.03 0.02 . 1 . . . A 10 C N3 . 17671 1 128 . 1 1 11 11 G H1' H 1 5.58 0.02 . . . . . A 11 G H1' . 17671 1 129 . 1 1 11 11 G H2' H 1 4.57 0.02 . . . . . A 11 G H2' . 17671 1 130 . 1 1 11 11 G H3' H 1 4.57 0.02 . . . . . A 11 G H3' . 17671 1 131 . 1 1 11 11 G H4' H 1 4.39 0.02 . . . . . A 11 G H4' . 17671 1 132 . 1 1 11 11 G H5' H 1 4.1 0.02 . . . . . A 11 G H5' . 17671 1 133 . 1 1 11 11 G H8 H 1 7.55 0.02 . 1 . . . A 11 G H8 . 17671 1 134 . 1 1 11 11 G C1' C 13 92.4 0.02 . . . . . A 11 G C1' . 17671 1 135 . 1 1 11 11 G C3' C 13 74.34 0.02 . . . . . A 11 G C3' . 17671 1 136 . 1 1 11 11 G C4' C 13 84.03 0.02 . . . . . A 11 G C4' . 17671 1 137 . 1 1 11 11 G C8 C 13 138.39 0.02 . 1 . . . A 11 G C8 . 17671 1 138 . 1 1 12 12 A H1' H 1 5.89 0.02 . . . . . A 12 A H1' . 17671 1 139 . 1 1 12 12 A H2 H 1 7.99 0.02 . . . . . A 12 A H2 . 17671 1 140 . 1 1 12 12 A H2' H 1 4.56 0.02 . . . . . A 12 A H2' . 17671 1 141 . 1 1 12 12 A H3' H 1 4.72 0.02 . . . . . A 12 A H3' . 17671 1 142 . 1 1 12 12 A H4' H 1 4.45 0.02 . . . . . A 12 A H4' . 17671 1 143 . 1 1 12 12 A H5' H 1 4.34 0.02 . . . . . A 12 A H5' . 17671 1 144 . 1 1 12 12 A H5'' H 1 4.13 0.02 . 2 . . . A 12 A H5'' . 17671 1 145 . 1 1 12 12 A H8 H 1 8.13 0.02 . 1 . . . A 12 A H8 . 17671 1 146 . 1 1 12 12 A C1' C 13 90.97 0.02 . . . . . A 12 A C1' . 17671 1 147 . 1 1 12 12 A C2 C 13 155 0.02 . 1 . . . A 12 A C2 . 17671 1 148 . 1 1 12 12 A C2' C 13 73.03 0.02 . . . . . A 12 A C2' . 17671 1 149 . 1 1 12 12 A C3' C 13 76.45 0.02 . . . . . A 12 A C3' . 17671 1 150 . 1 1 12 12 A C4' C 13 84.54 0.02 . . . . . A 12 A C4' . 17671 1 151 . 1 1 12 12 A C8 C 13 141.28 0.02 . 1 . . . A 12 A C8 . 17671 1 152 . 1 1 13 13 U H1' H 1 5.69 0.02 . . . . . A 13 U H1' . 17671 1 153 . 1 1 13 13 U H2' H 1 4.23 0.02 . . . . . A 13 U H2' . 17671 1 154 . 1 1 13 13 U H3' H 1 4.52 0.02 . . . . . A 13 U H3' . 17671 1 155 . 1 1 13 13 U H4' H 1 4.22 0.02 . . . . . A 13 U H4' . 17671 1 156 . 1 1 13 13 U H5 H 1 5.56 0.02 . 1 . . . A 13 U H5 . 17671 1 157 . 1 1 13 13 U H5' H 1 3.95 0.02 . . . . . A 13 U H5' . 17671 1 158 . 1 1 13 13 U H6 H 1 7.58 0.02 . 1 . . . A 13 U H6 . 17671 1 159 . 1 1 13 13 U C1' C 13 90.4 0.02 . . . . . A 13 U C1' . 17671 1 160 . 1 1 13 13 U C2' C 13 75.8 0.02 . . . . . A 13 U C2' . 17671 1 161 . 1 1 13 13 U C3' C 13 77.28 0.02 . . . . . A 13 U C3' . 17671 1 162 . 1 1 13 13 U C4' C 13 85.36 0.02 . . . . . A 13 U C4' . 17671 1 163 . 1 1 13 13 U C5 C 13 105.2 0.02 . 1 . . . A 13 U C5 . 17671 1 164 . 1 1 13 13 U C6 C 13 143.3 0.02 . 1 . . . A 13 U C6 . 17671 1 165 . 1 1 14 14 U H1' H 1 5.69 0.02 . . . . . A 14 U H1' . 17671 1 166 . 1 1 14 14 U H2' H 1 4.22 0.02 . . . . . A 14 U H2' . 17671 1 167 . 1 1 14 14 U H3' H 1 4.52 0.02 . . . . . A 14 U H3' . 17671 1 168 . 1 1 14 14 U H4' H 1 4.22 0.02 . . . . . A 14 U H4' . 17671 1 169 . 1 1 14 14 U H5 H 1 5.77 0.02 . 1 . . . A 14 U H5 . 17671 1 170 . 1 1 14 14 U H5' H 1 3.95 0.02 . . . . . A 14 U H5' . 17671 1 171 . 1 1 14 14 U H6 H 1 7.63 0.02 . 1 . . . A 14 U H6 . 17671 1 172 . 1 1 14 14 U C1' C 13 90.4 0.02 . . . . . A 14 U C1' . 17671 1 173 . 1 1 14 14 U C2' C 13 75.8 0.02 . . . . . A 14 U C2' . 17671 1 174 . 1 1 14 14 U C3' C 13 77.24 0.02 . . . . . A 14 U C3' . 17671 1 175 . 1 1 14 14 U C4' C 13 85.26 0.02 . . . . . A 14 U C4' . 17671 1 176 . 1 1 14 14 U C5 C 13 105.49 0.02 . 1 . . . A 14 U C5 . 17671 1 177 . 1 1 14 14 U C6 C 13 143.98 0.02 . 1 . . . A 14 U C6 . 17671 1 178 . 1 1 15 15 A H1' H 1 5.84 0.02 . . . . . A 15 A H1' . 17671 1 179 . 1 1 15 15 A H2 H 1 8 0.02 . 1 . . . A 15 A H2 . 17671 1 180 . 1 1 15 15 A H2' H 1 4.58 0.02 . . . . . A 15 A H2' . 17671 1 181 . 1 1 15 15 A H3' H 1 4.72 0.02 . . . . . A 15 A H3' . 17671 1 182 . 1 1 15 15 A H4' H 1 4.28 0.02 . . . . . A 15 A H4' . 17671 1 183 . 1 1 15 15 A H5' H 1 3.98 0.02 . . . . . A 15 A H5' . 17671 1 184 . 1 1 15 15 A H5'' H 1 3.89 0.02 . 2 . . . A 15 A H5'' . 17671 1 185 . 1 1 15 15 A H8 H 1 8.14 0.02 . 1 . . . A 15 A H8 . 17671 1 186 . 1 1 15 15 A C1' C 13 90.17 0.02 . . . . . A 15 A C1' . 17671 1 187 . 1 1 15 15 A C2 C 13 154.97 0.02 . 1 . . . A 15 A C2 . 17671 1 188 . 1 1 15 15 A C2' C 13 76.76 0.02 . . . . . A 15 A C2' . 17671 1 189 . 1 1 15 15 A C3' C 13 77.45 0.02 . . . . . A 15 A C3' . 17671 1 190 . 1 1 15 15 A C4' C 13 85.39 0.02 . . . . . A 15 A C4' . 17671 1 191 . 1 1 15 15 A C8 C 13 142.09 0.02 . 1 . . . A 15 A C8 . 17671 1 192 . 1 1 16 16 G H1' H 1 5.79 0.02 . . . . . A 16 G H1' . 17671 1 193 . 1 1 16 16 G H2' H 1 4.88 0.02 . . . . . A 16 G H2' . 17671 1 194 . 1 1 16 16 G H3' H 1 4.86 0.02 . . . . . A 16 G H3' . 17671 1 195 . 1 1 16 16 G H4' H 1 4.49 0.02 . . . . . A 16 G H4' . 17671 1 196 . 1 1 16 16 G H5' H 1 4.28 0.02 . . . . . A 16 G H5' . 17671 1 197 . 1 1 16 16 G H5'' H 1 4.2 0.02 . 2 . . . A 16 G H5'' . 17671 1 198 . 1 1 16 16 G H8 H 1 7.88 0.02 . 1 . . . A 16 G H8 . 17671 1 199 . 1 1 16 16 G C1' C 13 91.77 0.02 . . . . . A 16 G C1' . 17671 1 200 . 1 1 16 16 G C2' C 13 77.03 0.02 . . . . . A 16 G C2' . 17671 1 201 . 1 1 16 16 G C3' C 13 75.29 0.02 . . . . . A 16 G C3' . 17671 1 202 . 1 1 16 16 G C4' C 13 85.41 0.02 . . . . . A 16 G C4' . 17671 1 203 . 1 1 16 16 G C8 C 13 140.66 0.02 . 1 . . . A 16 G C8 . 17671 1 204 . 1 1 17 17 U H1' H 1 5.99 0.02 . . . . . A 17 U H1' . 17671 1 205 . 1 1 17 17 U H2' H 1 4.51 0.02 . . . . . A 17 U H2' . 17671 1 206 . 1 1 17 17 U H3' H 1 4.77 0.02 . . . . . A 17 U H3' . 17671 1 207 . 1 1 17 17 U H4' H 1 4.51 0.02 . . . . . A 17 U H4' . 17671 1 208 . 1 1 17 17 U H5 H 1 5.87 0.02 . 1 . . . A 17 U H5 . 17671 1 209 . 1 1 17 17 U H5' H 1 4.27 0.02 . . . . . A 17 U H5' . 17671 1 210 . 1 1 17 17 U H6 H 1 7.88 0.02 . 1 . . . A 17 U H6 . 17671 1 211 . 1 1 17 17 U C1' C 13 90.97 0.02 . . . . . A 17 U C1' . 17671 1 212 . 1 1 17 17 U C2' C 13 77.31 0.02 . . . . . A 17 U C2' . 17671 1 213 . 1 1 17 17 U C3' C 13 76.96 0.02 . . . . . A 17 U C3' . 17671 1 214 . 1 1 17 17 U C4' C 13 85.31 0.02 . . . . . A 17 U C4' . 17671 1 215 . 1 1 17 17 U C5 C 13 105.58 0.02 . 1 . . . A 17 U C5 . 17671 1 216 . 1 1 17 17 U C6 C 13 143.89 0.02 . 1 . . . A 17 U C6 . 17671 1 217 . 1 1 18 18 G H1 H 1 11.91 0.02 . 1 . . . A 18 G H1 . 17671 1 218 . 1 1 18 18 G H1' H 1 5.48 0.02 . . . . . A 18 G H1' . 17671 1 219 . 1 1 18 18 G H2' H 1 4.71 0.02 . . . . . A 18 G H2' . 17671 1 220 . 1 1 18 18 G H3' H 1 4.61 0.02 . . . . . A 18 G H3' . 17671 1 221 . 1 1 18 18 G H4' H 1 4.49 0.02 . . . . . A 18 G H4' . 17671 1 222 . 1 1 18 18 G H5' H 1 4.39 0.02 . . . . . A 18 G H5' . 17671 1 223 . 1 1 18 18 G H5'' H 1 4.24 0.02 . 2 . . . A 18 G H5'' . 17671 1 224 . 1 1 18 18 G H8 H 1 7.93 0.02 . 1 . . . A 18 G H8 . 17671 1 225 . 1 1 18 18 G C1' C 13 92.66 0.02 . . . . . A 18 G C1' . 17671 1 226 . 1 1 18 18 G C2' C 13 77.03 0.02 . . . . . A 18 G C2' . 17671 1 227 . 1 1 18 18 G C3' C 13 75.29 0.02 . . . . . A 18 G C3' . 17671 1 228 . 1 1 18 18 G C4' C 13 83.14 0.02 . . . . . A 18 G C4' . 17671 1 229 . 1 1 18 18 G C8 C 13 138.15 0.02 . 1 . . . A 18 G C8 . 17671 1 230 . 1 1 18 18 G N1 N 15 146.99 0.02 . 1 . . . A 18 G N1 . 17671 1 231 . 1 1 19 19 A H1' H 1 5.92 0.02 . . . . . A 19 A H1' . 17671 1 232 . 1 1 19 19 A H2 H 1 7.18 0.02 . 1 . . . A 19 A H2 . 17671 1 233 . 1 1 19 19 A H2' H 1 4.71 0.02 . . . . . A 19 A H2' . 17671 1 234 . 1 1 19 19 A H3' H 1 4.57 0.02 . . . . . A 19 A H3' . 17671 1 235 . 1 1 19 19 A H4' H 1 4.53 0.02 . . . . . A 19 A H4' . 17671 1 236 . 1 1 19 19 A H5' H 1 4.21 0.02 . . . . . A 19 A H5' . 17671 1 237 . 1 1 19 19 A H8 H 1 7.88 0.02 . 1 . . . A 19 A H8 . 17671 1 238 . 1 1 19 19 A C1' C 13 93.12 0.02 . . . . . A 19 A C1' . 17671 1 239 . 1 1 19 19 A C2 C 13 153.06 0.02 . 1 . . . A 19 A C2 . 17671 1 240 . 1 1 19 19 A C2' C 13 75.63 0.02 . . . . . A 19 A C2' . 17671 1 241 . 1 1 19 19 A C3' C 13 76.48 0.02 . . . . . A 19 A C3' . 17671 1 242 . 1 1 19 19 A C4' C 13 82.49 0.02 . . . . . A 19 A C4' . 17671 1 243 . 1 1 19 19 A C8 C 13 139.77 0.02 . 1 . . . A 19 A C8 . 17671 1 244 . 1 1 19 19 A N1 N 15 220.26 0.02 . 1 . . . A 19 A N1 . 17671 1 245 . 1 1 20 20 A H1' H 1 5.76 0.02 . . . . . A 20 A H1' . 17671 1 246 . 1 1 20 20 A H2 H 1 7.75 0.02 . 1 . . . A 20 A H2 . 17671 1 247 . 1 1 20 20 A H2' H 1 4.6 0.02 . . . . . A 20 A H2' . 17671 1 248 . 1 1 20 20 A H3' H 1 4.39 0.02 . . . . . A 20 A H3' . 17671 1 249 . 1 1 20 20 A H4' H 1 4.51 0.02 . . . . . A 20 A H4' . 17671 1 250 . 1 1 20 20 A H5' H 1 4.1 0.02 . . . . . A 20 A H5' . 17671 1 251 . 1 1 20 20 A H8 H 1 7.54 0.02 . 1 . . . A 20 A H8 . 17671 1 252 . 1 1 20 20 A C1' C 13 93.34 0.02 . . . . . A 20 A C1' . 17671 1 253 . 1 1 20 20 A C2 C 13 153.83 0.02 . 1 . . . A 20 A C2 . 17671 1 254 . 1 1 20 20 A C2' C 13 75.84 0.02 . . . . . A 20 A C2' . 17671 1 255 . 1 1 20 20 A C3' C 13 72.93 0.02 . . . . . A 20 A C3' . 17671 1 256 . 1 1 20 20 A C4' C 13 82.33 0.02 . . . . . A 20 A C4' . 17671 1 257 . 1 1 20 20 A C8 C 13 139 0.02 . 1 . . . A 20 A C8 . 17671 1 258 . 1 1 20 20 A N1 N 15 222.02 0.02 . 1 . . . A 20 A N1 . 17671 1 259 . 1 1 21 21 C H1' H 1 5.3 0.02 . . . . . A 21 C H1' . 17671 1 260 . 1 1 21 21 C H2' H 1 4.36 0.02 . . . . . A 21 C H2' . 17671 1 261 . 1 1 21 21 C H3' H 1 4.48 0.02 . . . . . A 21 C H3' . 17671 1 262 . 1 1 21 21 C H4' H 1 4.38 0.02 . . . . . A 21 C H4' . 17671 1 263 . 1 1 21 21 C H5 H 1 5.41 0.02 . 1 . . . A 21 C H5 . 17671 1 264 . 1 1 21 21 C H5' H 1 4.11 0.02 . . . . . A 21 C H5' . 17671 1 265 . 1 1 21 21 C H6 H 1 7.56 0.02 . 1 . . . A 21 C H6 . 17671 1 266 . 1 1 21 21 C C1' C 13 93.62 0.02 . . . . . A 21 C C1' . 17671 1 267 . 1 1 21 21 C C2' C 13 75.98 0.02 . . . . . A 21 C C2' . 17671 1 268 . 1 1 21 21 C C3' C 13 72.79 0.02 . . . . . A 21 C C3' . 17671 1 269 . 1 1 21 21 C C4' C 13 82.27 0.02 . . . . . A 21 C C4' . 17671 1 270 . 1 1 21 21 C C5 C 13 98.01 0.02 . 1 . . . A 21 C C5 . 17671 1 271 . 1 1 21 21 C C6 C 13 140.84 0.02 . 1 . . . A 21 C C6 . 17671 1 272 . 1 1 22 22 G H1 H 1 12.33 0.02 . 1 . . . A 22 G H1 . 17671 1 273 . 1 1 22 22 G H1' H 1 5.73 0.02 . . . . . A 22 G H1' . 17671 1 274 . 1 1 22 22 G H2' H 1 4.65 0.02 . . . . . A 22 G H2' . 17671 1 275 . 1 1 22 22 G H3' H 1 4.63 0.02 . . . . . A 22 G H3' . 17671 1 276 . 1 1 22 22 G H4' H 1 4.49 0.02 . . . . . A 22 G H4' . 17671 1 277 . 1 1 22 22 G H5' H 1 4.42 0.02 . . . . . A 22 G H5' . 17671 1 278 . 1 1 22 22 G H8 H 1 7.79 0.02 . 1 . . . A 22 G H8 . 17671 1 279 . 1 1 22 22 G C1' C 13 90.67 0.02 . . . . . A 22 G C1' . 17671 1 280 . 1 1 22 22 G C2' C 13 75.33 0.02 . . . . . A 22 G C2' . 17671 1 281 . 1 1 22 22 G C3' C 13 73.38 0.02 . . . . . A 22 G C3' . 17671 1 282 . 1 1 22 22 G C4' C 13 83.17 0.02 . . . . . A 22 G C4' . 17671 1 283 . 1 1 22 22 G C8 C 13 137.83 0.02 . 1 . . . A 22 G C8 . 17671 1 284 . 1 1 22 22 G N1 N 15 147.69 0.02 . 1 . . . A 22 G N1 . 17671 1 285 . 1 1 23 23 G H1 H 1 12.38 0.02 . 1 . . . A 23 G H1 . 17671 1 286 . 1 1 23 23 G H1' H 1 5.67 0.02 . . . . . A 23 G H1' . 17671 1 287 . 1 1 23 23 G H2' H 1 4.58 0.02 . . . . . A 23 G H2' . 17671 1 288 . 1 1 23 23 G H3' H 1 4.5 0.02 . . . . . A 23 G H3' . 17671 1 289 . 1 1 23 23 G H4' H 1 4.58 0.02 . . . . . A 23 G H4' . 17671 1 290 . 1 1 23 23 G H5' H 1 4.42 0.02 . . . . . A 23 G H5' . 17671 1 291 . 1 1 23 23 G H5'' H 1 4.22 0.02 . 2 . . . A 23 G H5'' . 17671 1 292 . 1 1 23 23 G H8 H 1 7.39 0.02 . 1 . . . A 23 G H8 . 17671 1 293 . 1 1 23 23 G C1' C 13 93.18 0.02 . . . . . A 23 G C1' . 17671 1 294 . 1 1 23 23 G C3' C 13 73.56 0.02 . . . . . A 23 G C3' . 17671 1 295 . 1 1 23 23 G C4' C 13 82.63 0.02 . . . . . A 23 G C4' . 17671 1 296 . 1 1 23 23 G C8 C 13 136.99 0.02 . 1 . . . A 23 G C8 . 17671 1 297 . 1 1 23 23 G N1 N 15 147.7 0.02 . 1 . . . A 23 G N1 . 17671 1 298 . 1 1 24 24 A H1' H 1 5.97 0.02 . . . . . A 24 A H1' . 17671 1 299 . 1 1 24 24 A H2 H 1 7.79 0.02 . 1 . . . A 24 A H2 . 17671 1 300 . 1 1 24 24 A H2' H 1 4.47 0.02 . . . . . A 24 A H2' . 17671 1 301 . 1 1 24 24 A H3' H 1 4.62 0.02 . . . . . A 24 A H3' . 17671 1 302 . 1 1 24 24 A H4' H 1 4.49 0.02 . . . . . A 24 A H4' . 17671 1 303 . 1 1 24 24 A H5' H 1 4.13 0.02 . . . . . A 24 A H5' . 17671 1 304 . 1 1 24 24 A H8 H 1 7.83 0.02 . 1 . . . A 24 A H8 . 17671 1 305 . 1 1 24 24 A C1' C 13 93.24 0.02 . . . . . A 24 A C1' . 17671 1 306 . 1 1 24 24 A C2 C 13 154.11 0.02 . 1 . . . A 24 A C2 . 17671 1 307 . 1 1 24 24 A C2' C 13 72.84 0.02 . . . . . A 24 A C2' . 17671 1 308 . 1 1 24 24 A C3' C 13 73.2 0.02 . . . . . A 24 A C3' . 17671 1 309 . 1 1 24 24 A C4' C 13 82.42 0.02 . . . . . A 24 A C4' . 17671 1 310 . 1 1 24 24 A C8 C 13 139.67 0.02 . 1 . . . A 24 A C8 . 17671 1 311 . 1 1 24 24 A N1 N 15 222.6 0.02 . 1 . . . A 24 A N1 . 17671 1 312 . 1 1 25 25 U H1' H 1 5.52 0.02 . . . . . A 25 U H1' . 17671 1 313 . 1 1 25 25 U H2' H 1 4.39 0.02 . . . . . A 25 U H2' . 17671 1 314 . 1 1 25 25 U H3 H 1 14.17 0.02 . 1 . . . A 25 U H3 . 17671 1 315 . 1 1 25 25 U H3' H 1 4.43 0.02 . . . . . A 25 U H3' . 17671 1 316 . 1 1 25 25 U H4' H 1 4.42 0.02 . . . . . A 25 U H4' . 17671 1 317 . 1 1 25 25 U H5 H 1 5.02 0.02 . 1 . . . A 25 U H5 . 17671 1 318 . 1 1 25 25 U H5' H 1 4.09 0.02 . . . . . A 25 U H5' . 17671 1 319 . 1 1 25 25 U H6 H 1 7.67 0.02 . 1 . . . A 25 U H6 . 17671 1 320 . 1 1 25 25 U C1' C 13 93.58 0.02 . . . . . A 25 U C1' . 17671 1 321 . 1 1 25 25 U C2' C 13 75.62 0.02 . . . . . A 25 U C2' . 17671 1 322 . 1 1 25 25 U C3' C 13 72.49 0.02 . . . . . A 25 U C3' . 17671 1 323 . 1 1 25 25 U C4' C 13 82.2 0.02 . . . . . A 25 U C4' . 17671 1 324 . 1 1 25 25 U C5 C 13 102.79 0.02 . 1 . . . A 25 U C5 . 17671 1 325 . 1 1 25 25 U C6 C 13 141.6 0.02 . 1 . . . A 25 U C6 . 17671 1 326 . 1 1 25 25 U N3 N 15 163.49 0.02 . 1 . . . A 25 U N3 . 17671 1 327 . 1 1 26 26 C H1' H 1 5.6 0.02 . . . . . A 26 C H1' . 17671 1 328 . 1 1 26 26 C H2' H 1 4.25 0.02 . . . . . A 26 C H2' . 17671 1 329 . 1 1 26 26 C H3' H 1 4.43 0.02 . . . . . A 26 C H3' . 17671 1 330 . 1 1 26 26 C H4' H 1 4.43 0.02 . . . . . A 26 C H4' . 17671 1 331 . 1 1 26 26 C H5 H 1 5.61 0.02 . 1 . . . A 26 C H5 . 17671 1 332 . 1 1 26 26 C H5' H 1 4.51 0.02 . . . . . A 26 C H5' . 17671 1 333 . 1 1 26 26 C H5'' H 1 4.07 0.02 . 2 . . . A 26 C H5'' . 17671 1 334 . 1 1 26 26 C H6 H 1 7.84 0.02 . 1 . . . A 26 C H6 . 17671 1 335 . 1 1 26 26 C C1' C 13 94.4 0.02 . . . . . A 26 C C1' . 17671 1 336 . 1 1 26 26 C C2' C 13 75.85 0.02 . . . . . A 26 C C2' . 17671 1 337 . 1 1 26 26 C C3' C 13 72.55 0.02 . . . . . A 26 C C3' . 17671 1 338 . 1 1 26 26 C C4' C 13 82.15 0.02 . . . . . A 26 C C4' . 17671 1 339 . 1 1 26 26 C C5 C 13 97.8 0.02 . 1 . . . A 26 C C5 . 17671 1 340 . 1 1 26 26 C C6 C 13 141.81 0.02 . 1 . . . A 26 C C6 . 17671 1 341 . 1 1 26 26 C N3 N 15 198.2 0.02 . 1 . . . A 26 C N3 . 17671 1 stop_ save_