################################### # 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 18894 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $d2o_293K _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $DSS _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' . . . 18894 1 4 '2D 1H-1H NOESY' . . . 18894 1 6 '2D 1H-13C HSQC aliphatic' . . . 18894 1 7 '2D 1H-13C HSQC aromatic' . . . 18894 1 8 '2D 1H-15N HSQC' . . . 18894 1 11 '2D JNN HNN COSY' . . . 18894 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 12.114 . . 1 . . . A 1 G H1 . 18894 1 2 . 1 1 1 1 G H1' H 1 5.523 . . 1 . . . A 1 G H1' . 18894 1 3 . 1 1 1 1 G H2' H 1 4.633 . . 1 . . . A 1 G H2' . 18894 1 4 . 1 1 1 1 G H3' H 1 4.393 . . 1 . . . A 1 G H3' . 18894 1 5 . 1 1 1 1 G H4' H 1 4.265 . . 1 . . . A 1 G H4' . 18894 1 6 . 1 1 1 1 G H5'' H 1 3.963 . . 1 . . . A 1 G H5'' . 18894 1 7 . 1 1 1 1 G H8 H 1 7.828 . . 1 . . . A 1 G H8 . 18894 1 8 . 1 1 1 1 G H21 H 1 7.326 . . 1 . . . A 1 G H21 . 18894 1 9 . 1 1 1 1 G H22 H 1 5.318 . . 1 . . . A 1 G H22 . 18894 1 10 . 1 1 1 1 G C1' C 13 85.848 . . 1 . . . A 1 G C1' . 18894 1 11 . 1 1 1 1 G C2' C 13 69.786 . . 1 . . . A 1 G C2' . 18894 1 12 . 1 1 1 1 G C8 C 13 133.457 . . 1 . . . A 1 G C8 . 18894 1 13 . 1 1 1 1 G N1 N 15 146.533 . . 1 . . . A 1 G N1 . 18894 1 14 . 1 1 2 2 G H1 H 1 11.766 . . 1 . . . A 2 G H1 . 18894 1 15 . 1 1 2 2 G H1' H 1 5.609 . . 1 . . . A 2 G H1' . 18894 1 16 . 1 1 2 2 G H2' H 1 4.394 . . 1 . . . A 2 G H2' . 18894 1 17 . 1 1 2 2 G H3' H 1 4.267 . . 1 . . . A 2 G H3' . 18894 1 18 . 1 1 2 2 G H4' H 1 4.299 . . 1 . . . A 2 G H4' . 18894 1 19 . 1 1 2 2 G H5'' H 1 3.963 . . 1 . . . A 2 G H5'' . 18894 1 20 . 1 1 2 2 G H8 H 1 7.228 . . 1 . . . A 2 G H8 . 18894 1 21 . 1 1 2 2 G H21 H 1 7.520 . . 1 . . . A 2 G H21 . 18894 1 22 . 1 1 2 2 G H22 H 1 5.343 . . 1 . . . A 2 G H22 . 18894 1 23 . 1 1 2 2 G C1' C 13 87.337 . . 1 . . . A 2 G C1' . 18894 1 24 . 1 1 2 2 G C2' C 13 70.683 . . 1 . . . A 2 G C2' . 18894 1 25 . 1 1 2 2 G N1 N 15 146.215 . . 1 . . . A 2 G N1 . 18894 1 26 . 1 1 3 3 A H1' H 1 5.696 . . 1 . . . A 3 A H1' . 18894 1 27 . 1 1 3 3 A H2 H 1 7.200 . . 1 . . . A 3 A H2 . 18894 1 28 . 1 1 3 3 A H2' H 1 4.458 . . 1 . . . A 3 A H2' . 18894 1 29 . 1 1 3 3 A H3' H 1 4.334 . . 1 . . . A 3 A H3' . 18894 1 30 . 1 1 3 3 A H4' H 1 4.246 . . 1 . . . A 3 A H4' . 18894 1 31 . 1 1 3 3 A H5' H 1 3.855 . . 1 . . . A 3 A H5' . 18894 1 32 . 1 1 3 3 A H5'' H 1 3.785 . . 1 . . . A 3 A H5'' . 18894 1 33 . 1 1 3 3 A H8 H 1 7.453 . . 1 . . . A 3 A H8 . 18894 1 34 . 1 1 3 3 A H61 H 1 7.704 . . 1 . . . A 3 A H61 . 18894 1 35 . 1 1 3 3 A H62 H 1 6.383 . . 1 . . . A 3 A H62 . 18894 1 36 . 1 1 3 3 A C1' C 13 85.657 . . 1 . . . A 3 A C1' . 18894 1 37 . 1 1 3 3 A C2 C 13 147.753 . . 1 . . . A 3 A C2 . 18894 1 38 . 1 1 3 3 A C2' C 13 69.606 . . 1 . . . A 3 A C2' . 18894 1 39 . 1 1 3 3 A N1 N 15 219.963 . . 1 . . . A 3 A N1 . 18894 1 40 . 1 1 4 4 G H1 H 1 12.722 . . 1 . . . A 4 G H1 . 18894 1 41 . 1 1 4 4 G H1' H 1 5.255 . . 1 . . . A 4 G H1' . 18894 1 42 . 1 1 4 4 G H2' H 1 4.128 . . 1 . . . A 4 G H2' . 18894 1 43 . 1 1 4 4 G H3' H 1 4.031 . . 1 . . . A 4 G H3' . 18894 1 44 . 1 1 4 4 G H4' H 1 4.173 . . 1 . . . A 4 G H4' . 18894 1 45 . 1 1 4 4 G H5'' H 1 3.735 . . 1 . . . A 4 G H5'' . 18894 1 46 . 1 1 4 4 G H8 H 1 6.770 . . 1 . . . A 4 G H8 . 18894 1 47 . 1 1 4 4 G H21 H 1 7.744 . . 1 . . . A 4 G H21 . 18894 1 48 . 1 1 4 4 G H22 H 1 5.617 . . 1 . . . A 4 G H22 . 18894 1 49 . 1 1 4 4 G C1' C 13 87.162 . . 1 . . . A 4 G C1' . 18894 1 50 . 1 1 4 4 G C2' C 13 66.857 . . 1 . . . A 4 G C2' . 18894 1 51 . 1 1 4 4 G C8 C 13 130.382 . . 1 . . . A 4 G C8 . 18894 1 52 . 1 1 4 4 G N1 N 15 147.411 . . 1 . . . A 4 G N1 . 18894 1 53 . 1 1 5 5 U H1' H 1 5.224 . . 1 . . . A 5 U H1' . 18894 1 54 . 1 1 5 5 U H2' H 1 4.318 . . 1 . . . A 5 U H2' . 18894 1 55 . 1 1 5 5 U H3 H 1 12.894 . . 1 . . . A 5 U H3 . 18894 1 56 . 1 1 5 5 U H3' H 1 4.247 . . 1 . . . A 5 U H3' . 18894 1 57 . 1 1 5 5 U H4' H 1 4.236 . . 1 . . . A 5 U H4' . 18894 1 58 . 1 1 5 5 U H5 H 1 4.799 . . 1 . . . A 5 U H5 . 18894 1 59 . 1 1 5 5 U H5'' H 1 3.786 . . 1 . . . A 5 U H5'' . 18894 1 60 . 1 1 5 5 U H6 H 1 7.383 . . 1 . . . A 5 U H6 . 18894 1 61 . 1 1 5 5 U C1' C 13 88.172 . . 1 . . . A 5 U C1' . 18894 1 62 . 1 1 5 5 U C2' C 13 70.033 . . 1 . . . A 5 U C2' . 18894 1 63 . 1 1 5 5 U C5 C 13 97.561 . . 1 . . . A 5 U C5 . 18894 1 64 . 1 1 5 5 U C6 C 13 136.794 . . 1 . . . A 5 U C6 . 18894 1 65 . 1 1 5 5 U N3 N 15 161.157 . . 1 . . . A 5 U N3 . 18894 1 66 . 1 1 6 6 A H1' H 1 5.696 . . 1 . . . A 6 A H1' . 18894 1 67 . 1 1 6 6 A H2 H 1 6.737 . . 1 . . . A 6 A H2 . 18894 1 68 . 1 1 6 6 A H2' H 1 4.206 . . 1 . . . A 6 A H2' . 18894 1 69 . 1 1 6 6 A H3' H 1 4.349 . . 1 . . . A 6 A H3' . 18894 1 70 . 1 1 6 6 A H4' H 1 4.270 . . 1 . . . A 6 A H4' . 18894 1 71 . 1 1 6 6 A H5'' H 1 3.865 . . 1 . . . A 6 A H5'' . 18894 1 72 . 1 1 6 6 A H8 H 1 7.848 . . 1 . . . A 6 A H8 . 18894 1 73 . 1 1 6 6 A H61 H 1 7.249 . . 1 . . . A 6 A H61 . 18894 1 74 . 1 1 6 6 A H62 H 1 5.852 . . 1 . . . A 6 A H62 . 18894 1 75 . 1 1 6 6 A C2 C 13 147.558 . . 1 . . . A 6 A C2 . 18894 1 76 . 1 1 6 6 A C8 C 13 133.232 . . 1 . . . A 6 A C8 . 18894 1 77 . 1 1 6 6 A N1 N 15 222.050 . . 1 . . . A 6 A N1 . 18894 1 78 . 1 1 7 7 U H1' H 1 5.114 . . 1 . . . A 7 U H1' . 18894 1 79 . 1 1 7 7 U H2' H 1 4.211 . . 1 . . . A 7 U H2' . 18894 1 80 . 1 1 7 7 U H3 H 1 12.779 . . 1 . . . A 7 U H3 . 18894 1 81 . 1 1 7 7 U H3' H 1 4.144 . . 1 . . . A 7 U H3' . 18894 1 82 . 1 1 7 7 U H4' H 1 4.122 . . 1 . . . A 7 U H4' . 18894 1 83 . 1 1 7 7 U H5 H 1 4.742 . . 1 . . . A 7 U H5 . 18894 1 84 . 1 1 7 7 U H5'' H 1 3.791 . . 1 . . . A 7 U H5'' . 18894 1 85 . 1 1 7 7 U H6 H 1 7.287 . . 1 . . . A 7 U H6 . 18894 1 86 . 1 1 7 7 U C1' C 13 87.512 . . 1 . . . A 7 U C1' . 18894 1 87 . 1 1 7 7 U C2' C 13 69.963 . . 1 . . . A 7 U C2' . 18894 1 88 . 1 1 7 7 U C5 C 13 97.482 . . 1 . . . A 7 U C5 . 18894 1 89 . 1 1 7 7 U C6 C 13 135.704 . . 1 . . . A 7 U C6 . 18894 1 90 . 1 1 7 7 U N3 N 15 161.254 . . 1 . . . A 7 U N3 . 18894 1 91 . 1 1 8 8 G H1 H 1 12.099 . . 1 . . . A 8 G H1 . 18894 1 92 . 1 1 8 8 G H1' H 1 5.445 . . 1 . . . A 8 G H1' . 18894 1 93 . 1 1 8 8 G H2' H 1 4.236 . . 1 . . . A 8 G H2' . 18894 1 94 . 1 1 8 8 G H3' H 1 4.142 . . 1 . . . A 8 G H3' . 18894 1 95 . 1 1 8 8 G H8 H 1 7.282 . . 1 . . . A 8 G H8 . 18894 1 96 . 1 1 8 8 G H21 H 1 7.244 . . 1 . . . A 8 G H21 . 18894 1 97 . 1 1 8 8 G H22 H 1 5.347 . . 1 . . . A 8 G H22 . 18894 1 98 . 1 1 8 8 G C1' C 13 85.613 . . 1 . . . A 8 G C1' . 18894 1 99 . 1 1 8 8 G C2' C 13 66.699 . . 1 . . . A 8 G C2' . 18894 1 100 . 1 1 8 8 G C8 C 13 135.222 . . 1 . . . A 8 G C8 . 18894 1 101 . 1 1 8 8 G N1 N 15 146.971 . . 1 . . . A 8 G N1 . 18894 1 102 . 1 1 9 9 U H1' H 1 5.293 . . 1 . . . A 9 U H1' . 18894 1 103 . 1 1 9 9 U H2' H 1 3.913 . . 1 . . . A 9 U H2' . 18894 1 104 . 1 1 9 9 U H3 H 1 11.374 . . 1 . . . A 9 U H3 . 18894 1 105 . 1 1 9 9 U H3' H 1 4.257 . . 1 . . . A 9 U H3' . 18894 1 106 . 1 1 9 9 U H5 H 1 5.110 . . 1 . . . A 9 U H5 . 18894 1 107 . 1 1 9 9 U H6 H 1 7.330 . . 1 . . . A 9 U H6 . 18894 1 108 . 1 1 9 9 U C1' C 13 88.530 . . 1 . . . A 9 U C1' . 18894 1 109 . 1 1 9 9 U C2' C 13 70.735 . . 1 . . . A 9 U C2' . 18894 1 110 . 1 1 9 9 U C5 C 13 98.786 . . 1 . . . A 9 U C5 . 18894 1 111 . 1 1 9 9 U C6 C 13 131.806 . . 1 . . . A 9 U C6 . 18894 1 112 . 1 1 9 9 U N3 N 15 157.396 . . 1 . . . A 9 U N3 . 18894 1 113 . 1 1 10 10 A H1' H 1 5.707 . . 1 . . . A 10 A H1' . 18894 1 114 . 1 1 10 10 A H2 H 1 7.540 . . 1 . . . A 10 A H2 . 18894 1 115 . 1 1 10 10 A H2' H 1 4.379 . . 1 . . . A 10 A H2' . 18894 1 116 . 1 1 10 10 A H3' H 1 4.320 . . 1 . . . A 10 A H3' . 18894 1 117 . 1 1 10 10 A H4' H 1 4.220 . . 1 . . . A 10 A H4' . 18894 1 118 . 1 1 10 10 A H5' H 1 4.024 . . 1 . . . A 10 A H5' . 18894 1 119 . 1 1 10 10 A H5'' H 1 3.851 . . 1 . . . A 10 A H5'' . 18894 1 120 . 1 1 10 10 A H8 H 1 7.957 . . 1 . . . A 10 A H8 . 18894 1 121 . 1 1 10 10 A C1' C 13 87.349 . . 1 . . . A 10 A C1' . 18894 1 122 . 1 1 10 10 A C2 C 13 149.369 . . 1 . . . A 10 A C2 . 18894 1 123 . 1 1 10 10 A C2' C 13 67.389 . . 1 . . . A 10 A C2' . 18894 1 124 . 1 1 10 10 A C8 C 13 135.877 . . 1 . . . A 10 A C8 . 18894 1 125 . 1 1 11 11 U H1' H 1 5.213 . . 1 . . . A 11 U H1' . 18894 1 126 . 1 1 11 11 U H2' H 1 4.131 . . 1 . . . A 11 U H2' . 18894 1 127 . 1 1 11 11 U H5 H 1 5.136 . . 1 . . . A 11 U H5 . 18894 1 128 . 1 1 11 11 U H5'' H 1 3.817 . . 1 . . . A 11 U H5'' . 18894 1 129 . 1 1 11 11 U H6 H 1 7.396 . . 1 . . . A 11 U H6 . 18894 1 130 . 1 1 11 11 U C1' C 13 87.301 . . 1 . . . A 11 U C1' . 18894 1 131 . 1 1 11 11 U C2' C 13 69.875 . . 1 . . . A 11 U C2' . 18894 1 132 . 1 1 11 11 U C5 C 13 98.692 . . 1 . . . A 11 U C5 . 18894 1 133 . 1 1 11 11 U C6 C 13 137.396 . . 1 . . . A 11 U C6 . 18894 1 134 . 1 1 12 12 U H1' H 1 5.328 . . 1 . . . A 12 U H1' . 18894 1 135 . 1 1 12 12 U H2' H 1 3.971 . . 1 . . . A 12 U H2' . 18894 1 136 . 1 1 12 12 U H3 H 1 9.870 . . 1 . . . A 12 U H3 . 18894 1 137 . 1 1 12 12 U H3' H 1 4.216 . . 1 . . . A 12 U H3' . 18894 1 138 . 1 1 12 12 U H4' H 1 4.029 . . 1 . . . A 12 U H4' . 18894 1 139 . 1 1 12 12 U H5 H 1 5.362 . . 1 . . . A 12 U H5 . 18894 1 140 . 1 1 12 12 U H5'' H 1 3.739 . . 1 . . . A 12 U H5'' . 18894 1 141 . 1 1 12 12 U H6 H 1 7.448 . . 1 . . . A 12 U H6 . 18894 1 142 . 1 1 12 12 U C1' C 13 86.566 . . 1 . . . A 12 U C1' . 18894 1 143 . 1 1 12 12 U C2' C 13 70.244 . . 1 . . . A 12 U C2' . 18894 1 144 . 1 1 12 12 U C5 C 13 99.393 . . 1 . . . A 12 U C5 . 18894 1 145 . 1 1 12 12 U C6 C 13 137.520 . . 1 . . . A 12 U C6 . 18894 1 146 . 1 1 13 13 G H1' H 1 5.357 . . 1 . . . A 13 G H1' . 18894 1 147 . 1 1 13 13 G H2' H 1 4.281 . . 1 . . . A 13 G H2' . 18894 1 148 . 1 1 13 13 G H3' H 1 4.327 . . 1 . . . A 13 G H3' . 18894 1 149 . 1 1 13 13 G H4' H 1 4.085 . . 1 . . . A 13 G H4' . 18894 1 150 . 1 1 13 13 G H8 H 1 7.456 . . 1 . . . A 13 G H8 . 18894 1 151 . 1 1 13 13 G C1' C 13 85.685 . . 1 . . . A 13 G C1' . 18894 1 152 . 1 1 13 13 G C2' C 13 67.471 . . 1 . . . A 13 G C2' . 18894 1 153 . 1 1 13 13 G C8 C 13 133.622 . . 1 . . . A 13 G C8 . 18894 1 154 . 1 1 14 14 G H1' H 1 5.372 . . 1 . . . A 14 G H1' . 18894 1 155 . 1 1 14 14 G H2' H 1 4.446 . . 1 . . . A 14 G H2' . 18894 1 156 . 1 1 14 14 G H3' H 1 4.373 . . 1 . . . A 14 G H3' . 18894 1 157 . 1 1 14 14 G H4' H 1 4.161 . . 1 . . . A 14 G H4' . 18894 1 158 . 1 1 14 14 G H5'' H 1 3.821 . . 1 . . . A 14 G H5'' . 18894 1 159 . 1 1 14 14 G H8 H 1 7.517 . . 1 . . . A 14 G H8 . 18894 1 160 . 1 1 14 14 G C1' C 13 84.642 . . 1 . . . A 14 G C1' . 18894 1 161 . 1 1 14 14 G C2' C 13 70.322 . . 1 . . . A 14 G C2' . 18894 1 162 . 1 1 14 14 G C8 C 13 133.937 . . 1 . . . A 14 G C8 . 18894 1 163 . 1 1 15 15 C H1' H 1 5.472 . . 1 . . . A 15 C H1' . 18894 1 164 . 1 1 15 15 C H2' H 1 3.957 . . 1 . . . A 15 C H2' . 18894 1 165 . 1 1 15 15 C H3' H 1 4.228 . . 1 . . . A 15 C H3' . 18894 1 166 . 1 1 15 15 C H4' H 1 3.925 . . 1 . . . A 15 C H4' . 18894 1 167 . 1 1 15 15 C H5 H 1 5.444 . . 1 . . . A 15 C H5 . 18894 1 168 . 1 1 15 15 C H5' H 1 3.761 . . 1 . . . A 15 C H5' . 18894 1 169 . 1 1 15 15 C H5'' H 1 3.732 . . 1 . . . A 15 C H5'' . 18894 1 170 . 1 1 15 15 C H6 H 1 7.354 . . 1 . . . A 15 C H6 . 18894 1 171 . 1 1 15 15 C C1' C 13 85.631 . . 1 . . . A 15 C C1' . 18894 1 172 . 1 1 15 15 C C2' C 13 70.367 . . 1 . . . A 15 C C2' . 18894 1 173 . 1 1 15 15 C C5 C 13 93.458 . . 1 . . . A 15 C C5 . 18894 1 174 . 1 1 15 15 C C6 C 13 137.447 . . 1 . . . A 15 C C6 . 18894 1 175 . 1 1 16 16 A H1' H 1 5.635 . . 1 . . . A 16 A H1' . 18894 1 176 . 1 1 16 16 A H2 H 1 7.667 . . 1 . . . A 16 A H2 . 18894 1 177 . 1 1 16 16 A H2' H 1 4.405 . . 1 . . . A 16 A H2' . 18894 1 178 . 1 1 16 16 A H3' H 1 4.214 . . 1 . . . A 16 A H3' . 18894 1 179 . 1 1 16 16 A H4' H 1 4.235 . . 1 . . . A 16 A H4' . 18894 1 180 . 1 1 16 16 A H5' H 1 3.930 . . 1 . . . A 16 A H5' . 18894 1 181 . 1 1 16 16 A H5'' H 1 3.796 . . 1 . . . A 16 A H5'' . 18894 1 182 . 1 1 16 16 A H8 H 1 7.919 . . 1 . . . A 16 A H8 . 18894 1 183 . 1 1 16 16 A C1' C 13 85.225 . . 1 . . . A 16 A C1' . 18894 1 184 . 1 1 16 16 A C2 C 13 149.537 . . 1 . . . A 16 A C2 . 18894 1 185 . 1 1 16 16 A C2' C 13 70.068 . . 1 . . . A 16 A C2' . 18894 1 186 . 1 1 16 16 A C8 C 13 135.842 . . 1 . . . A 16 A C8 . 18894 1 187 . 1 1 17 17 C H1' H 1 5.451 . . 1 . . . A 17 C H1' . 18894 1 188 . 1 1 17 17 C H2' H 1 4.109 . . 1 . . . A 17 C H2' . 18894 1 189 . 1 1 17 17 C H3' H 1 4.052 . . 1 . . . A 17 C H3' . 18894 1 190 . 1 1 17 17 C H5 H 1 5.495 . . 1 . . . A 17 C H5 . 18894 1 191 . 1 1 17 17 C H5'' H 1 3.806 . . 1 . . . A 17 C H5'' . 18894 1 192 . 1 1 17 17 C H6 H 1 7.334 . . 1 . . . A 17 C H6 . 18894 1 193 . 1 1 17 17 C C1' C 13 87.223 . . 1 . . . A 17 C C1' . 18894 1 194 . 1 1 17 17 C C2' C 13 66.787 . . 1 . . . A 17 C C2' . 18894 1 195 . 1 1 17 17 C C5 C 13 93.305 . . 1 . . . A 17 C C5 . 18894 1 196 . 1 1 17 17 C C6 C 13 137.951 . . 1 . . . A 17 C C6 . 18894 1 197 . 1 1 18 18 U H1' H 1 5.519 . . 1 . . . A 18 U H1' . 18894 1 198 . 1 1 18 18 U H2' H 1 4.037 . . 1 . . . A 18 U H2' . 18894 1 199 . 1 1 18 18 U H3' H 1 4.295 . . 1 . . . A 18 U H3' . 18894 1 200 . 1 1 18 18 U H4' H 1 4.087 . . 1 . . . A 18 U H4' . 18894 1 201 . 1 1 18 18 U H5 H 1 5.466 . . 1 . . . A 18 U H5 . 18894 1 202 . 1 1 18 18 U H5'' H 1 3.829 . . 1 . . . A 18 U H5'' . 18894 1 203 . 1 1 18 18 U H6 H 1 7.439 . . 1 . . . A 18 U H6 . 18894 1 204 . 1 1 18 18 U C1' C 13 85.683 . . 1 . . . A 18 U C1' . 18894 1 205 . 1 1 18 18 U C2' C 13 70.126 . . 1 . . . A 18 U C2' . 18894 1 206 . 1 1 18 18 U C5 C 13 99.705 . . 1 . . . A 18 U C5 . 18894 1 207 . 1 1 18 18 U C6 C 13 138.183 . . 1 . . . A 18 U C6 . 18894 1 208 . 1 1 19 19 G H1 H 1 11.255 . . 1 . . . A 19 G H1 . 18894 1 209 . 1 1 19 19 G H1' H 1 5.314 . . 1 . . . A 19 G H1' . 18894 1 210 . 1 1 19 19 G H2' H 1 4.383 . . 1 . . . A 19 G H2' . 18894 1 211 . 1 1 19 19 G H3' H 1 4.131 . . 1 . . . A 19 G H3' . 18894 1 212 . 1 1 19 19 G H4' H 1 3.806 . . 1 . . . A 19 G H4' . 18894 1 213 . 1 1 19 19 G H5'' H 1 3.587 . . 1 . . . A 19 G H5'' . 18894 1 214 . 1 1 19 19 G H8 H 1 7.473 . . 1 . . . A 19 G H8 . 18894 1 215 . 1 1 19 19 G C1' C 13 86.137 . . 1 . . . A 19 G C1' . 18894 1 216 . 1 1 19 19 G C2' C 13 70.139 . . 1 . . . A 19 G C2' . 18894 1 217 . 1 1 19 19 G C8 C 13 133.443 . . 1 . . . A 19 G C8 . 18894 1 218 . 1 1 20 20 A H1' H 1 5.691 . . 1 . . . A 20 A H1' . 18894 1 219 . 1 1 20 20 A H2 H 1 7.634 . . 1 . . . A 20 A H2 . 18894 1 220 . 1 1 20 20 A H2' H 1 4.444 . . 1 . . . A 20 A H2' . 18894 1 221 . 1 1 20 20 A H3' H 1 4.263 . . 1 . . . A 20 A H3' . 18894 1 222 . 1 1 20 20 A H4' H 1 4.190 . . 1 . . . A 20 A H4' . 18894 1 223 . 1 1 20 20 A H5'' H 1 3.821 . . 1 . . . A 20 A H5'' . 18894 1 224 . 1 1 20 20 A H8 H 1 7.716 . . 1 . . . A 20 A H8 . 18894 1 225 . 1 1 20 20 A C1' C 13 87.276 . . 1 . . . A 20 A C1' . 18894 1 226 . 1 1 20 20 A C2 C 13 149.031 . . 1 . . . A 20 A C2 . 18894 1 227 . 1 1 20 20 A C8 C 13 135.205 . . 1 . . . A 20 A C8 . 18894 1 228 . 1 1 21 21 G H1 H 1 10.361 . . 1 . . . A 21 G H1 . 18894 1 229 . 1 1 21 21 G H1' H 1 5.240 . . 1 . . . A 21 G H1' . 18894 1 230 . 1 1 21 21 G H2' H 1 4.300 . . 1 . . . A 21 G H2' . 18894 1 231 . 1 1 21 21 G H3' H 1 4.093 . . 1 . . . A 21 G H3' . 18894 1 232 . 1 1 21 21 G H8 H 1 7.244 . . 1 . . . A 21 G H8 . 18894 1 233 . 1 1 21 21 G H21 H 1 7.255 . . 1 . . . A 21 G H21 . 18894 1 234 . 1 1 21 21 G H22 H 1 5.704 . . 1 . . . A 21 G H22 . 18894 1 235 . 1 1 21 21 G C1' C 13 87.433 . . 1 . . . A 21 G C1' . 18894 1 236 . 1 1 21 21 G C2' C 13 69.963 . . 1 . . . A 21 G C2' . 18894 1 237 . 1 1 21 21 G C8 C 13 130.536 . . 1 . . . A 21 G C8 . 18894 1 238 . 1 1 21 21 G N1 N 15 143.872 . . 1 . . . A 21 G N1 . 18894 1 239 . 1 1 22 22 C H1' H 1 5.056 . . 1 . . . A 22 C H1' . 18894 1 240 . 1 1 22 22 C H2' H 1 4.102 . . 1 . . . A 22 C H2' . 18894 1 241 . 1 1 22 22 C H3' H 1 4.249 . . 1 . . . A 22 C H3' . 18894 1 242 . 1 1 22 22 C H4' H 1 4.194 . . 1 . . . A 22 C H4' . 18894 1 243 . 1 1 22 22 C H5 H 1 5.104 . . 1 . . . A 22 C H5 . 18894 1 244 . 1 1 22 22 C H6 H 1 7.358 . . 1 . . . A 22 C H6 . 18894 1 245 . 1 1 22 22 C H41 H 1 7.666 . . 1 . . . A 22 C H41 . 18894 1 246 . 1 1 22 22 C H42 H 1 6.298 . . 1 . . . A 22 C H42 . 18894 1 247 . 1 1 22 22 C C1' C 13 88.144 . . 1 . . . A 22 C C1' . 18894 1 248 . 1 1 22 22 C C5 C 13 92.217 . . 1 . . . A 22 C C5 . 18894 1 249 . 1 1 22 22 C C6 C 13 136.025 . . 1 . . . A 22 C C6 . 18894 1 250 . 1 1 22 22 C N3 N 15 195.590 . . 1 . . . A 22 C N3 . 18894 1 251 . 1 1 23 23 A H1' H 1 5.628 . . 1 . . . A 23 A H1' . 18894 1 252 . 1 1 23 23 A H2 H 1 6.989 . . 1 . . . A 23 A H2 . 18894 1 253 . 1 1 23 23 A H2' H 1 4.175 . . 1 . . . A 23 A H2' . 18894 1 254 . 1 1 23 23 A H3' H 1 4.404 . . 1 . . . A 23 A H3' . 18894 1 255 . 1 1 23 23 A H4' H 1 4.190 . . 1 . . . A 23 A H4' . 18894 1 256 . 1 1 23 23 A H5'' H 1 3.823 . . 1 . . . A 23 A H5'' . 18894 1 257 . 1 1 23 23 A H8 H 1 7.720 . . 1 . . . A 23 A H8 . 18894 1 258 . 1 1 23 23 A H61 H 1 7.236 . . 1 . . . A 23 A H61 . 18894 1 259 . 1 1 23 23 A H62 H 1 5.827 . . 1 . . . A 23 A H62 . 18894 1 260 . 1 1 23 23 A C1' C 13 87.481 . . 1 . . . A 23 A C1' . 18894 1 261 . 1 1 23 23 A C2 C 13 147.566 . . 1 . . . A 23 A C2 . 18894 1 262 . 1 1 23 23 A C2' C 13 69.998 . . 1 . . . A 23 A C2' . 18894 1 263 . 1 1 23 23 A C8 C 13 134.056 . . 1 . . . A 23 A C8 . 18894 1 264 . 1 1 23 23 A N1 N 15 219.752 . . 1 . . . A 23 A N1 . 18894 1 265 . 1 1 24 24 U H1' H 1 5.151 . . 1 . . . A 24 U H1' . 18894 1 266 . 1 1 24 24 U H2' H 1 4.088 . . 1 . . . A 24 U H2' . 18894 1 267 . 1 1 24 24 U H3 H 1 12.597 . . 1 . . . A 24 U H3 . 18894 1 268 . 1 1 24 24 U H3' H 1 4.191 . . 1 . . . A 24 U H3' . 18894 1 269 . 1 1 24 24 U H4' H 1 4.248 . . 1 . . . A 24 U H4' . 18894 1 270 . 1 1 24 24 U H5 H 1 4.799 . . 1 . . . A 24 U H5 . 18894 1 271 . 1 1 24 24 U H6 H 1 7.361 . . 1 . . . A 24 U H6 . 18894 1 272 . 1 1 24 24 U C1' C 13 87.554 . . 1 . . . A 24 U C1' . 18894 1 273 . 1 1 24 24 U C2' C 13 69.918 . . 1 . . . A 24 U C2' . 18894 1 274 . 1 1 24 24 U C5 C 13 97.252 . . 1 . . . A 24 U C5 . 18894 1 275 . 1 1 24 24 U C6 C 13 137.518 . . 1 . . . A 24 U C6 . 18894 1 276 . 1 1 24 24 U N3 N 15 160.731 . . 1 . . . A 24 U N3 . 18894 1 277 . 1 1 25 25 A H1' H 1 5.691 . . 1 . . . A 25 A H1' . 18894 1 278 . 1 1 25 25 A H2 H 1 6.833 . . 1 . . . A 25 A H2 . 18894 1 279 . 1 1 25 25 A H2' H 1 4.227 . . 1 . . . A 25 A H2' . 18894 1 280 . 1 1 25 25 A H3' H 1 4.375 . . 1 . . . A 25 A H3' . 18894 1 281 . 1 1 25 25 A H5'' H 1 3.877 . . 1 . . . A 25 A H5'' . 18894 1 282 . 1 1 25 25 A H8 H 1 7.844 . . 1 . . . A 25 A H8 . 18894 1 283 . 1 1 25 25 A H61 H 1 7.277 . . 1 . . . A 25 A H61 . 18894 1 284 . 1 1 25 25 A H62 H 1 5.823 . . 1 . . . A 25 A H62 . 18894 1 285 . 1 1 25 25 A C1' C 13 85.500 . . 1 . . . A 25 A C1' . 18894 1 286 . 1 1 25 25 A C2 C 13 147.842 . . 1 . . . A 25 A C2 . 18894 1 287 . 1 1 25 25 A C2' C 13 69.963 . . 1 . . . A 25 A C2' . 18894 1 288 . 1 1 25 25 A C8 C 13 134.214 . . 1 . . . A 25 A C8 . 18894 1 289 . 1 1 25 25 A N1 N 15 221.457 . . 1 . . . A 25 A N1 . 18894 1 290 . 1 1 26 26 C H1' H 1 5.059 . . 1 . . . A 26 C H1' . 18894 1 291 . 1 1 26 26 C H2' H 1 3.881 . . 1 . . . A 26 C H2' . 18894 1 292 . 1 1 26 26 C H3' H 1 4.051 . . 1 . . . A 26 C H3' . 18894 1 293 . 1 1 26 26 C H4' H 1 3.865 . . 1 . . . A 26 C H4' . 18894 1 294 . 1 1 26 26 C H5 H 1 4.900 . . 1 . . . A 26 C H5 . 18894 1 295 . 1 1 26 26 C H5'' H 1 3.759 . . 1 . . . A 26 C H5'' . 18894 1 296 . 1 1 26 26 C H6 H 1 7.234 . . 1 . . . A 26 C H6 . 18894 1 297 . 1 1 26 26 C H41 H 1 7.721 . . 1 . . . A 26 C H41 . 18894 1 298 . 1 1 26 26 C H42 H 1 6.390 . . 1 . . . A 26 C H42 . 18894 1 299 . 1 1 26 26 C C1' C 13 88.276 . . 1 . . . A 26 C C1' . 18894 1 300 . 1 1 26 26 C C2' C 13 70.121 . . 1 . . . A 26 C C2' . 18894 1 301 . 1 1 26 26 C C5 C 13 91.656 . . 1 . . . A 26 C C5 . 18894 1 302 . 1 1 26 26 C C6 C 13 135.129 . . 1 . . . A 26 C C6 . 18894 1 303 . 1 1 26 26 C N3 N 15 196.118 . . 1 . . . A 26 C N3 . 18894 1 304 . 1 1 27 27 U H1' H 1 5.229 . . 1 . . . A 27 U H1' . 18894 1 305 . 1 1 27 27 U H2' H 1 4.190 . . 1 . . . A 27 U H2' . 18894 1 306 . 1 1 27 27 U H3 H 1 13.457 . . 1 . . . A 27 U H3 . 18894 1 307 . 1 1 27 27 U H3' H 1 4.217 . . 1 . . . A 27 U H3' . 18894 1 308 . 1 1 27 27 U H4' H 1 4.110 . . 1 . . . A 27 U H4' . 18894 1 309 . 1 1 27 27 U H5 H 1 5.014 . . 1 . . . A 27 U H5 . 18894 1 310 . 1 1 27 27 U H5'' H 1 3.760 . . 1 . . . A 27 U H5'' . 18894 1 311 . 1 1 27 27 U H6 H 1 7.600 . . 1 . . . A 27 U H6 . 18894 1 312 . 1 1 27 27 U C1' C 13 87.079 . . 1 . . . A 27 U C1' . 18894 1 313 . 1 1 27 27 U C2' C 13 66.717 . . 1 . . . A 27 U C2' . 18894 1 314 . 1 1 27 27 U C5 C 13 97.615 . . 1 . . . A 27 U C5 . 18894 1 315 . 1 1 27 27 U C6 C 13 136.985 . . 1 . . . A 27 U C6 . 18894 1 316 . 1 1 27 27 U N3 N 15 162.060 . . 1 . . . A 27 U N3 . 18894 1 317 . 1 1 28 28 C H1' H 1 5.288 . . 1 . . . A 28 C H1' . 18894 1 318 . 1 1 28 28 C H2' H 1 3.909 . . 1 . . . A 28 C H2' . 18894 1 319 . 1 1 28 28 C H3' H 1 4.158 . . 1 . . . A 28 C H3' . 18894 1 320 . 1 1 28 28 C H4' H 1 4.098 . . 1 . . . A 28 C H4' . 18894 1 321 . 1 1 28 28 C H5 H 1 5.327 . . 1 . . . A 28 C H5 . 18894 1 322 . 1 1 28 28 C H5'' H 1 3.764 . . 1 . . . A 28 C H5'' . 18894 1 323 . 1 1 28 28 C H6 H 1 7.611 . . 1 . . . A 28 C H6 . 18894 1 324 . 1 1 28 28 C H41 H 1 7.700 . . 1 . . . A 28 C H41 . 18894 1 325 . 1 1 28 28 C H42 H 1 6.377 . . 1 . . . A 28 C H42 . 18894 1 326 . 1 1 28 28 C C1' C 13 87.276 . . 1 . . . A 28 C C1' . 18894 1 327 . 1 1 28 28 C C2' C 13 70.367 . . 1 . . . A 28 C C2' . 18894 1 328 . 1 1 28 28 C C5 C 13 91.866 . . 1 . . . A 28 C C5 . 18894 1 329 . 1 1 28 28 C C6 C 13 136.148 . . 1 . . . A 28 C C6 . 18894 1 330 . 1 1 28 28 C N3 N 15 197.061 . . 1 . . . A 28 C N3 . 18894 1 331 . 1 1 29 29 C H1' H 1 5.415 . . 1 . . . A 29 C H1' . 18894 1 332 . 1 1 29 29 C H2' H 1 3.677 . . 1 . . . A 29 C H2' . 18894 1 333 . 1 1 29 29 C H3' H 1 3.705 . . 1 . . . A 29 C H3' . 18894 1 334 . 1 1 29 29 C H4' H 1 3.860 . . 1 . . . A 29 C H4' . 18894 1 335 . 1 1 29 29 C H5 H 1 5.168 . . 1 . . . A 29 C H5 . 18894 1 336 . 1 1 29 29 C H6 H 1 7.352 . . 1 . . . A 29 C H6 . 18894 1 337 . 1 1 29 29 C H41 H 1 7.697 . . 1 . . . A 29 C H41 . 18894 1 338 . 1 1 29 29 C H42 H 1 6.327 . . 1 . . . A 29 C H42 . 18894 1 339 . 1 1 29 29 C C1' C 13 87.233 . . 1 . . . A 29 C C1' . 18894 1 340 . 1 1 29 29 C C2' C 13 72.074 . . 1 . . . A 29 C C2' . 18894 1 341 . 1 1 29 29 C C5 C 13 92.484 . . 1 . . . A 29 C C5 . 18894 1 342 . 1 1 29 29 C C6 C 13 135.411 . . 1 . . . A 29 C C6 . 18894 1 343 . 1 1 29 29 C N3 N 15 196.583 . . 1 . . . A 29 C N3 . 18894 1 stop_ save_