################################### # 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 28090 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $10%_D2O_conditions _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-1H NOESY' . . . 28090 1 2 '2D 1H-15N HSQC' . . . 28090 1 3 '2D 1H-15N HNNCOSY' . . . 28090 1 4 '3D 1H-15N NOESYHSQC' . . . 28090 1 5 '3D HNCCCH' . . . 28090 1 6 '2D 1H-1H NOESY' . . . 28090 1 7 '2D 1H-13C HSQC' . . . 28090 1 8 '3D 1H-13C NOESYHSQC' . . . 28090 1 9 '3D HCCH-TOCSY' . . . 28090 1 10 '2D DQF-COSY' . . . 28090 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 G H1 H 1 13.157 . . 1 . . . . . 1 G H1 . 28090 1 2 . 1 . 1 1 1 G N1 N 15 148.259 . . 1 . . . . . 1 G N1 . 28090 1 3 . 1 . 1 2 2 U H1' H 1 5.747 . . 1 . . . . . 2 U H1' . 28090 1 4 . 1 . 1 2 2 U H2' H 1 4.686 . . 1 . . . . . 2 U H2' . 28090 1 5 . 1 . 1 2 2 U H3 H 1 13.636 . . 1 . . . . . 2 U H3 . 28090 1 6 . 1 . 1 2 2 U H5 H 1 5.271 . . 1 . . . . . 2 U H5 . 28090 1 7 . 1 . 1 2 2 U H6 H 1 7.933 . . 1 . . . . . 2 U H6 . 28090 1 8 . 1 . 1 2 2 U C5 C 13 104.819 . . 1 . . . . . 2 U C5 . 28090 1 9 . 1 . 1 2 2 U C6 C 13 141.134 . . 1 . . . . . 2 U C6 . 28090 1 10 . 1 . 1 2 2 U N3 N 15 162.142 . . 1 . . . . . 2 U N3 . 28090 1 11 . 1 . 1 3 3 G H1 H 1 12.543 . . 1 . . . . . 3 G H1 . 28090 1 12 . 1 . 1 3 3 G H1' H 1 5.755 . . 1 . . . . . 3 G H1' . 28090 1 13 . 1 . 1 3 3 G H2' H 1 4.450 . . 1 . . . . . 3 G H2' . 28090 1 14 . 1 . 1 3 3 G H8 H 1 7.636 . . 1 . . . . . 3 G H8 . 28090 1 15 . 1 . 1 3 3 G C1' C 13 92.981 . . 1 . . . . . 3 G C1' . 28090 1 16 . 1 . 1 3 3 G C8 C 13 135.023 . . 1 . . . . . 3 G C8 . 28090 1 17 . 1 . 1 3 3 G N1 N 15 147.811 . . 1 . . . . . 3 G N1 . 28090 1 18 . 1 . 1 3 3 G N9 N 15 168.906 . . 1 . . . . . 3 G N9 . 28090 1 19 . 1 . 1 4 4 C H1' H 1 5.402 . . 1 . . . . . 4 C H1' . 28090 1 20 . 1 . 1 4 4 C H2' H 1 4.357 . . 1 . . . . . 4 C H2' . 28090 1 21 . 1 . 1 4 4 C H5 H 1 5.131 . . 1 . . . . . 4 C H5 . 28090 1 22 . 1 . 1 4 4 C H6 H 1 7.558 . . 1 . . . . . 4 C H6 . 28090 1 23 . 1 . 1 4 4 C H41 H 1 8.186 . . 2 . . . . . 4 C H41 . 28090 1 24 . 1 . 1 4 4 C H42 H 1 6.536 . . 2 . . . . . 4 C H42 . 28090 1 25 . 1 . 1 4 4 C C1' C 13 93.600 . . 1 . . . . . 4 C C1' . 28090 1 26 . 1 . 1 4 4 C C5 C 13 97.005 . . 1 . . . . . 4 C C5 . 28090 1 27 . 1 . 1 4 4 C C6 C 13 139.245 . . 1 . . . . . 4 C C6 . 28090 1 28 . 1 . 1 4 4 C N1 N 15 149.506 . . 1 . . . . . 4 C N1 . 28090 1 29 . 1 . 1 4 4 C N3 N 15 195.435 . . 1 . . . . . 4 C N3 . 28090 1 30 . 1 . 1 4 4 C N4 N 15 98.286 . . 1 . . . . . 4 C N4 . 28090 1 31 . 1 . 1 5 5 G H1 H 1 12.345 . . 1 . . . . . 5 G H1 . 28090 1 32 . 1 . 1 5 5 G H1' H 1 5.909 . . 1 . . . . . 5 G H1' . 28090 1 33 . 1 . 1 5 5 G H2' H 1 4.365 . . 1 . . . . . 5 G H2' . 28090 1 34 . 1 . 1 5 5 G H8 H 1 8.012 . . 1 . . . . . 5 G H8 . 28090 1 35 . 1 . 1 5 5 G C1' C 13 93.600 . . 1 . . . . . 5 G C1' . 28090 1 36 . 1 . 1 5 5 G C8 C 13 138.383 . . 1 . . . . . 5 G C8 . 28090 1 37 . 1 . 1 5 5 G N1 N 15 146.957 . . 1 . . . . . 5 G N1 . 28090 1 38 . 1 . 1 5 5 G N9 N 15 170.457 . . 1 . . . . . 5 G N9 . 28090 1 39 . 1 . 1 6 6 A H1' H 1 5.892 . . 1 . . . . . 6 A H1' . 28090 1 40 . 1 . 1 6 6 A H2 H 1 7.830 . . 1 . . . . . 6 A H2 . 28090 1 41 . 1 . 1 6 6 A H2' H 1 4.478 . . 1 . . . . . 6 A H2' . 28090 1 42 . 1 . 1 6 6 A H8 H 1 7.517 . . 1 . . . . . 6 A H8 . 28090 1 43 . 1 . 1 6 6 A C1' C 13 93.585 . . 1 . . . . . 6 A C1' . 28090 1 44 . 1 . 1 6 6 A C2 C 13 153.240 . . 1 . . . . . 6 A C2 . 28090 1 45 . 1 . 1 7 7 A H1' H 1 5.873 . . 1 . . . . . 7 A H1' . 28090 1 46 . 1 . 1 7 7 A H2 H 1 7.877 . . 1 . . . . . 7 A H2 . 28090 1 47 . 1 . 1 7 7 A H2' H 1 4.280 . . 1 . . . . . 7 A H2' . 28090 1 48 . 1 . 1 7 7 A H8 H 1 7.984 . . 1 . . . . . 7 A H8 . 28090 1 49 . 1 . 1 7 7 A C2 C 13 153.412 . . 1 . . . . . 7 A C2 . 28090 1 50 . 1 . 1 8 8 U H1' H 1 5.760 . . 1 . . . . . 8 U H1' . 28090 1 51 . 1 . 1 8 8 U H2' H 1 4.300 . . 1 . . . . . 8 U H2' . 28090 1 52 . 1 . 1 8 8 U H3 H 1 13.360 . . 1 . . . . . 8 U H3 . 28090 1 53 . 1 . 1 8 8 U H5 H 1 5.520 . . 1 . . . . . 8 U H5 . 28090 1 54 . 1 . 1 8 8 U H6 H 1 7.902 . . 1 . . . . . 8 U H6 . 28090 1 55 . 1 . 1 8 8 U C5 C 13 104.850 . . 1 . . . . . 8 U C5 . 28090 1 56 . 1 . 1 8 8 U C6 C 13 140.933 . . 1 . . . . . 8 U C6 . 28090 1 57 . 1 . 1 8 8 U N1 N 15 145.882 . . 1 . . . . . 8 U N1 . 28090 1 58 . 1 . 1 9 9 G H1 H 1 12.445 . . 1 . . . . . 9 G H1 . 28090 1 59 . 1 . 1 9 9 G H1' H 1 5.755 . . 1 . . . . . 9 G H1' . 28090 1 60 . 1 . 1 9 9 G H2' H 1 4.389 . . 1 . . . . . 9 G H2' . 28090 1 61 . 1 . 1 9 9 G H3' H 1 4.537 . . 1 . . . . . 9 G H3' . 28090 1 62 . 1 . 1 9 9 G H8 H 1 7.650 . . 1 . . . . . 9 G H8 . 28090 1 63 . 1 . 1 9 9 G C1' C 13 93.651 . . 1 . . . . . 9 G C1' . 28090 1 64 . 1 . 1 9 9 G C2' C 13 74.844 . . 1 . . . . . 9 G C2' . 28090 1 65 . 1 . 1 9 9 G C8 C 13 135.457 . . 1 . . . . . 9 G C8 . 28090 1 66 . 1 . 1 9 9 G N1 N 15 147.177 . . 1 . . . . . 9 G N1 . 28090 1 67 . 1 . 1 9 9 G N9 N 15 169.070 . . 1 . . . . . 9 G N9 . 28090 1 68 . 1 . 1 10 10 U H1' H 1 5.477 . . 1 . . . . . 10 U H1' . 28090 1 69 . 1 . 1 10 10 U H2' H 1 4.349 . . 1 . . . . . 10 U H2' . 28090 1 70 . 1 . 1 10 10 U H3 H 1 14.198 . . 1 . . . . . 10 U H3 . 28090 1 71 . 1 . 1 10 10 U H3' H 1 4.245 . . 1 . . . . . 10 U H3' . 28090 1 72 . 1 . 1 10 10 U H5 H 1 5.031 . . 1 . . . . . 10 U H5 . 28090 1 73 . 1 . 1 10 10 U H6 H 1 7.723 . . 1 . . . . . 10 U H6 . 28090 1 74 . 1 . 1 10 10 U C1' C 13 93.361 . . 1 . . . . . 10 U C1' . 28090 1 75 . 1 . 1 10 10 U C2' C 13 75.704 . . 1 . . . . . 10 U C2' . 28090 1 76 . 1 . 1 10 10 U C5 C 13 102.105 . . 1 . . . . . 10 U C5 . 28090 1 77 . 1 . 1 10 10 U C6 C 13 140.675 . . 1 . . . . . 10 U C6 . 28090 1 78 . 1 . 1 10 10 U N1 N 15 146.147 . . 1 . . . . . 10 U N1 . 28090 1 79 . 1 . 1 10 10 U N3 N 15 162.563 . . 1 . . . . . 10 U N3 . 28090 1 80 . 1 . 1 11 11 C H1' H 1 5.548 . . 1 . . . . . 11 C H1' . 28090 1 81 . 1 . 1 11 11 C H2' H 1 4.533 . . 1 . . . . . 11 C H2' . 28090 1 82 . 1 . 1 11 11 C H5 H 1 5.438 . . 1 . . . . . 11 C H5 . 28090 1 83 . 1 . 1 11 11 C H6 H 1 7.673 . . 1 . . . . . 11 C H6 . 28090 1 84 . 1 . 1 11 11 C H41 H 1 8.140 . . 2 . . . . . 11 C H41 . 28090 1 85 . 1 . 1 11 11 C H42 H 1 6.669 . . 2 . . . . . 11 C H42 . 28090 1 86 . 1 . 1 11 11 C C1' C 13 92.951 . . 1 . . . . . 11 C C1' . 28090 1 87 . 1 . 1 11 11 C C5 C 13 97.514 . . 1 . . . . . 11 C C5 . 28090 1 88 . 1 . 1 11 11 C C6 C 13 139.820 . . 1 . . . . . 11 C C6 . 28090 1 89 . 1 . 1 11 11 C N1 N 15 150.036 . . 1 . . . . . 11 C N1 . 28090 1 90 . 1 . 1 11 11 C N3 N 15 195.076 . . 1 . . . . . 11 C N3 . 28090 1 91 . 1 . 1 11 11 C N4 N 15 98.286 . . 1 . . . . . 11 C N4 . 28090 1 92 . 1 . 1 12 12 G H1 H 1 10.300 . . 1 . . . . . 12 G H1 . 28090 1 93 . 1 . 1 12 12 G H1' H 1 5.593 . . 1 . . . . . 12 G H1' . 28090 1 94 . 1 . 1 12 12 G H2' H 1 4.373 . . 1 . . . . . 12 G H2' . 28090 1 95 . 1 . 1 12 12 G H8 H 1 7.481 . . 1 . . . . . 12 G H8 . 28090 1 96 . 1 . 1 12 12 G C1' C 13 93.651 . . 1 . . . . . 12 G C1' . 28090 1 97 . 1 . 1 12 12 G C8 C 13 135.526 . . 1 . . . . . 12 G C8 . 28090 1 98 . 1 . 1 13 13 C H1' H 1 5.527 . . 1 . . . . . 13 C H1' . 28090 1 99 . 1 . 1 13 13 C H2' H 1 3.858 . . 1 . . . . . 13 C H2' . 28090 1 100 . 1 . 1 13 13 C H3' H 1 4.083 . . 1 . . . . . 13 C H3' . 28090 1 101 . 1 . 1 13 13 C H5 H 1 5.257 . . 1 . . . . . 13 C H5 . 28090 1 102 . 1 . 1 13 13 C H6 H 1 7.383 . . 1 . . . . . 13 C H6 . 28090 1 103 . 1 . 1 13 13 C H41 H 1 8.212 . . 2 . . . . . 13 C H41 . 28090 1 104 . 1 . 1 13 13 C H42 H 1 6.942 . . 2 . . . . . 13 C H42 . 28090 1 105 . 1 . 1 13 13 C C1' C 13 93.143 . . 1 . . . . . 13 C C1' . 28090 1 106 . 1 . 1 13 13 C C2' C 13 77.151 . . 1 . . . . . 13 C C2' . 28090 1 107 . 1 . 1 13 13 C C3' C 13 83.330 . . 1 . . . . . 13 C C3' . 28090 1 108 . 1 . 1 13 13 C C5 C 13 96.646 . . 1 . . . . . 13 C C5 . 28090 1 109 . 1 . 1 13 13 C C6 C 13 140.131 . . 1 . . . . . 13 C C6 . 28090 1 110 . 1 . 1 13 13 C N1 N 15 152.039 . . 1 . . . . . 13 C N1 . 28090 1 111 . 1 . 1 13 13 C N4 N 15 97.161 . . 1 . . . . . 13 C N4 . 28090 1 112 . 1 . 1 14 14 U H1' H 1 5.580 . . 1 . . . . . 14 U H1' . 28090 1 113 . 1 . 1 14 14 U H2' H 1 4.057 . . 1 . . . . . 14 U H2' . 28090 1 114 . 1 . 1 14 14 U H3' H 1 4.422 . . 1 . . . . . 14 U H3' . 28090 1 115 . 1 . 1 14 14 U H4' H 1 3.966 . . 1 . . . . . 14 U H4' . 28090 1 116 . 1 . 1 14 14 U H5 H 1 5.555 . . 1 . . . . . 14 U H5 . 28090 1 117 . 1 . 1 14 14 U H6 H 1 7.537 . . 1 . . . . . 14 U H6 . 28090 1 118 . 1 . 1 14 14 U C1' C 13 90.276 . . 1 . . . . . 14 U C1' . 28090 1 119 . 1 . 1 14 14 U C4' C 13 83.727 . . 1 . . . . . 14 U C4' . 28090 1 120 . 1 . 1 14 14 U C5 C 13 104.677 . . 1 . . . . . 14 U C5 . 28090 1 121 . 1 . 1 14 14 U C6 C 13 141.937 . . 1 . . . . . 14 U C6 . 28090 1 122 . 1 . 1 14 14 U N1 N 15 143.697 . . 1 . . . . . 14 U N1 . 28090 1 123 . 1 . 1 15 15 A H1' H 1 5.956 . . 1 . . . . . 15 A H1' . 28090 1 124 . 1 . 1 15 15 A H2 H 1 8.061 . . 1 . . . . . 15 A H2 . 28090 1 125 . 1 . 1 15 15 A H2' H 1 4.884 . . 1 . . . . . 15 A H2' . 28090 1 126 . 1 . 1 15 15 A H3' H 1 4.629 . . 1 . . . . . 15 A H3' . 28090 1 127 . 1 . 1 15 15 A H8 H 1 8.252 . . 1 . . . . . 15 A H8 . 28090 1 128 . 1 . 1 15 15 A C1' C 13 90.340 . . 1 . . . . . 15 A C1' . 28090 1 129 . 1 . 1 15 15 A C2 C 13 154.349 . . 1 . . . . . 15 A C2 . 28090 1 130 . 1 . 1 15 15 A C2' C 13 75.181 . . 1 . . . . . 15 A C2' . 28090 1 131 . 1 . 1 15 15 A C8 C 13 141.476 . . 1 . . . . . 15 A C8 . 28090 1 132 . 1 . 1 15 15 A N9 N 15 168.096 . . 1 . . . . . 15 A N9 . 28090 1 133 . 1 . 1 16 16 U H1' H 1 5.830 . . 1 . . . . . 16 U H1' . 28090 1 134 . 1 . 1 16 16 U H2' H 1 4.339 . . 1 . . . . . 16 U H2' . 28090 1 135 . 1 . 1 16 16 U H5 H 1 5.761 . . 1 . . . . . 16 U H5 . 28090 1 136 . 1 . 1 16 16 U H6 H 1 7.728 . . 1 . . . . . 16 U H6 . 28090 1 137 . 1 . 1 16 16 U C1' C 13 90.495 . . 1 . . . . . 16 U C1' . 28090 1 138 . 1 . 1 16 16 U C5 C 13 104.819 . . 1 . . . . . 16 U C5 . 28090 1 139 . 1 . 1 16 16 U C6 C 13 142.398 . . 1 . . . . . 16 U C6 . 28090 1 140 . 1 . 1 16 16 U N1 N 15 143.515 . . 1 . . . . . 16 U N1 . 28090 1 141 . 1 . 1 17 17 U H1' H 1 5.838 . . 1 . . . . . 17 U H1' . 28090 1 142 . 1 . 1 17 17 U H2' H 1 4.373 . . 1 . . . . . 17 U H2' . 28090 1 143 . 1 . 1 17 17 U H3' H 1 4.628 . . 1 . . . . . 17 U H3' . 28090 1 144 . 1 . 1 17 17 U H5 H 1 5.760 . . 1 . . . . . 17 U H5 . 28090 1 145 . 1 . 1 17 17 U H6 H 1 7.741 . . 1 . . . . . 17 U H6 . 28090 1 146 . 1 . 1 17 17 U C1' C 13 90.460 . . 1 . . . . . 17 U C1' . 28090 1 147 . 1 . 1 17 17 U C5 C 13 104.931 . . 1 . . . . . 17 U C5 . 28090 1 148 . 1 . 1 17 17 U C6 C 13 142.398 . . 1 . . . . . 17 U C6 . 28090 1 149 . 1 . 1 17 17 U N1 N 15 143.576 . . 1 . . . . . 17 U N1 . 28090 1 150 . 1 . 1 18 18 A H1' H 1 5.850 . . 1 . . . . . 18 A H1' . 28090 1 151 . 1 . 1 18 18 A H2 H 1 8.060 . . 1 . . . . . 18 A H2 . 28090 1 152 . 1 . 1 18 18 A H2' H 1 4.695 . . 1 . . . . . 18 A H2' . 28090 1 153 . 1 . 1 18 18 A H8 H 1 8.276 . . 1 . . . . . 18 A H8 . 28090 1 154 . 1 . 1 18 18 A C1' C 13 90.832 . . 1 . . . . . 18 A C1' . 28090 1 155 . 1 . 1 18 18 A C2 C 13 154.304 . . 1 . . . . . 18 A C2 . 28090 1 156 . 1 . 1 18 18 A C8 C 13 140.653 . . 1 . . . . . 18 A C8 . 28090 1 157 . 1 . 1 18 18 A N9 N 15 168.493 . . 1 . . . . . 18 A N9 . 28090 1 158 . 1 . 1 19 19 U H1' H 1 5.867 . . 1 . . . . . 19 U H1' . 28090 1 159 . 1 . 1 19 19 U H2' H 1 4.578 . . 1 . . . . . 19 U H2' . 28090 1 160 . 1 . 1 19 19 U H3 H 1 10.950 . . 1 . . . . . 19 U H3 . 28090 1 161 . 1 . 1 19 19 U H5 H 1 5.641 . . 1 . . . . . 19 U H5 . 28090 1 162 . 1 . 1 19 19 U H6 H 1 7.713 . . 1 . . . . . 19 U H6 . 28090 1 163 . 1 . 1 19 19 U C1' C 13 93.652 . . 1 . . . . . 19 U C1' . 28090 1 164 . 1 . 1 19 19 U C5 C 13 104.598 . . 1 . . . . . 19 U C5 . 28090 1 165 . 1 . 1 19 19 U C6 C 13 141.959 . . 1 . . . . . 19 U C6 . 28090 1 166 . 1 . 1 19 19 U N1 N 15 143.697 . . 1 . . . . . 19 U N1 . 28090 1 167 . 1 . 1 20 20 G H1 H 1 12.129 . . 1 . . . . . 20 G H1 . 28090 1 168 . 1 . 1 20 20 G H1' H 1 5.703 . . 1 . . . . . 20 G H1' . 28090 1 169 . 1 . 1 20 20 G H2' H 1 4.772 . . 1 . . . . . 20 G H2' . 28090 1 170 . 1 . 1 20 20 G H8 H 1 8.019 . . 1 . . . . . 20 G H8 . 28090 1 171 . 1 . 1 20 20 G C1' C 13 92.590 . . 1 . . . . . 20 G C1' . 28090 1 172 . 1 . 1 20 20 G C2' C 13 76.536 . . 1 . . . . . 20 G C2' . 28090 1 173 . 1 . 1 20 20 G C8 C 13 137.145 . . 1 . . . . . 20 G C8 . 28090 1 174 . 1 . 1 20 20 G N1 N 15 146.676 . . 1 . . . . . 20 G N1 . 28090 1 175 . 1 . 1 20 20 G N9 N 15 168.904 . . 1 . . . . . 20 G N9 . 28090 1 176 . 1 . 1 21 21 A H1' H 1 5.981 . . 1 . . . . . 21 A H1' . 28090 1 177 . 1 . 1 21 21 A H2 H 1 7.680 . . 1 . . . . . 21 A H2 . 28090 1 178 . 1 . 1 21 21 A H2' H 1 4.543 . . 1 . . . . . 21 A H2' . 28090 1 179 . 1 . 1 21 21 A H8 H 1 7.958 . . 1 . . . . . 21 A H8 . 28090 1 180 . 1 . 1 21 21 A C1' C 13 93.090 . . 1 . . . . . 21 A C1' . 28090 1 181 . 1 . 1 21 21 A C2 C 13 152.863 . . 1 . . . . . 21 A C2 . 28090 1 182 . 1 . 1 21 21 A C8 C 13 138.744 . . 1 . . . . . 21 A C8 . 28090 1 183 . 1 . 1 21 21 A N1 N 15 221.681 . . 1 . . . . . 21 A N1 . 28090 1 184 . 1 . 1 21 21 A N9 N 15 170.403 . . 1 . . . . . 21 A N9 . 28090 1 185 . 1 . 1 22 22 C H1' H 1 5.352 . . 1 . . . . . 22 C H1' . 28090 1 186 . 1 . 1 22 22 C H2' H 1 4.436 . . 1 . . . . . 22 C H2' . 28090 1 187 . 1 . 1 22 22 C H5 H 1 5.612 . . 1 . . . . . 22 C H5 . 28090 1 188 . 1 . 1 22 22 C H6 H 1 7.414 . . 1 . . . . . 22 C H6 . 28090 1 189 . 1 . 1 22 22 C H41 H 1 8.122 . . 2 . . . . . 22 C H41 . 28090 1 190 . 1 . 1 22 22 C H42 H 1 6.826 . . 2 . . . . . 22 C H42 . 28090 1 191 . 1 . 1 22 22 C C1' C 13 93.368 . . 1 . . . . . 22 C C1' . 28090 1 192 . 1 . 1 22 22 C C5 C 13 96.740 . . 1 . . . . . 22 C C5 . 28090 1 193 . 1 . 1 22 22 C C6 C 13 139.214 . . 1 . . . . . 22 C C6 . 28090 1 194 . 1 . 1 22 22 C N1 N 15 150.071 . . 1 . . . . . 22 C N1 . 28090 1 195 . 1 . 1 22 22 C N3 N 15 195.874 . . 1 . . . . . 22 C N3 . 28090 1 196 . 1 . 1 22 22 C N4 N 15 97.724 . . 1 . . . . . 22 C N4 . 28090 1 197 . 1 . 1 23 23 A H1' H 1 5.801 . . 1 . . . . . 23 A H1' . 28090 1 198 . 1 . 1 23 23 A H2 H 1 7.108 . . 1 . . . . . 23 A H2 . 28090 1 199 . 1 . 1 23 23 A H8 H 1 7.756 . . 1 . . . . . 23 A H8 . 28090 1 200 . 1 . 1 23 23 A C1' C 13 92.978 . . 1 . . . . . 23 A C1' . 28090 1 201 . 1 . 1 23 23 A C2 C 13 151.578 . . 1 . . . . . 23 A C2 . 28090 1 202 . 1 . 1 23 23 A C8 C 13 138.266 . . 1 . . . . . 23 A C8 . 28090 1 203 . 1 . 1 24 24 G H1' H 1 5.893 . . 1 . . . . . 24 G H1' . 28090 1 204 . 1 . 1 24 24 G C1' C 13 92.484 . . 1 . . . . . 24 G C1' . 28090 1 205 . 1 . 1 25 25 A H1' H 1 5.807 . . 1 . . . . . 25 A H1' . 28090 1 206 . 1 . 1 25 25 A H2 H 1 7.982 . . 1 . . . . . 25 A H2 . 28090 1 207 . 1 . 1 25 25 A H8 H 1 8.002 . . 1 . . . . . 25 A H8 . 28090 1 208 . 1 . 1 25 25 A C1' C 13 93.585 . . 1 . . . . . 25 A C1' . 28090 1 209 . 1 . 1 25 25 A C8 C 13 141.010 . . 1 . . . . . 25 A C8 . 28090 1 210 . 1 . 1 26 26 C H1' H 1 5.480 . . 1 . . . . . 26 C H1' . 28090 1 211 . 1 . 1 26 26 C H2' H 1 4.108 . . 1 . . . . . 26 C H2' . 28090 1 212 . 1 . 1 26 26 C H5 H 1 5.525 . . 1 . . . . . 26 C H5 . 28090 1 213 . 1 . 1 26 26 C H6 H 1 7.554 . . 1 . . . . . 26 C H6 . 28090 1 214 . 1 . 1 26 26 C H41 H 1 8.117 . . 2 . . . . . 26 C H41 . 28090 1 215 . 1 . 1 26 26 C H42 H 1 6.629 . . 2 . . . . . 26 C H42 . 28090 1 216 . 1 . 1 26 26 C N1 N 15 151.691 . . 1 . . . . . 26 C N1 . 28090 1 217 . 1 . 1 26 26 C N3 N 15 196.733 . . 1 . . . . . 26 C N3 . 28090 1 218 . 1 . 1 26 26 C N4 N 15 96.036 . . 1 . . . . . 26 C N4 . 28090 1 219 . 1 . 1 27 27 G H1 H 1 12.633 . . 1 . . . . . 27 G H1 . 28090 1 220 . 1 . 1 27 27 G H1' H 1 5.587 . . 1 . . . . . 27 G H1' . 28090 1 221 . 1 . 1 27 27 G H2' H 1 4.339 . . 1 . . . . . 27 G H2' . 28090 1 222 . 1 . 1 27 27 G H8 H 1 7.573 . . 1 . . . . . 27 G H8 . 28090 1 223 . 1 . 1 27 27 G C1' C 13 93.600 . . 1 . . . . . 27 G C1' . 28090 1 224 . 1 . 1 27 27 G C8 C 13 135.269 . . 1 . . . . . 27 G C8 . 28090 1 225 . 1 . 1 27 27 G N1 N 15 147.478 . . 1 . . . . . 27 G N1 . 28090 1 226 . 1 . 1 27 27 G N9 N 15 168.908 . . 1 . . . . . 27 G N9 . 28090 1 227 . 1 . 1 28 28 C H1' H 1 5.486 . . 1 . . . . . 28 C H1' . 28090 1 228 . 1 . 1 28 28 C H2' H 1 4.002 . . 1 . . . . . 28 C H2' . 28090 1 229 . 1 . 1 28 28 C H5 H 1 5.295 . . 1 . . . . . 28 C H5 . 28090 1 230 . 1 . 1 28 28 C H6 H 1 7.491 . . 1 . . . . . 28 C H6 . 28090 1 231 . 1 . 1 28 28 C H41 H 1 8.364 . . 2 . . . . . 28 C H41 . 28090 1 232 . 1 . 1 28 28 C H42 H 1 6.780 . . 2 . . . . . 28 C H42 . 28090 1 233 . 1 . 1 28 28 C C1' C 13 93.600 . . 1 . . . . . 28 C C1' . 28090 1 234 . 1 . 1 28 28 C C2' C 13 75.509 . . 1 . . . . . 28 C C2' . 28090 1 235 . 1 . 1 28 28 C C6 C 13 140.473 . . 1 . . . . . 28 C C6 . 28090 1 236 . 1 . 1 28 28 C N1 N 15 152.633 . . 1 . . . . . 28 C N1 . 28090 1 237 . 1 . 1 28 28 C N3 N 15 195.994 . . 1 . . . . . 28 C N3 . 28090 1 238 . 1 . 1 28 28 C N4 N 15 98.286 . . 1 . . . . . 28 C N4 . 28090 1 239 . 1 . 1 29 29 A H1' H 1 5.590 . . 1 . . . . . 29 A H1' . 28090 1 240 . 1 . 1 29 29 A H2 H 1 7.430 . . 1 . . . . . 29 A H2 . 28090 1 241 . 1 . 1 29 29 A H8 H 1 7.335 . . 1 . . . . . 29 A H8 . 28090 1 242 . 1 . 1 29 29 A C2 C 13 152.370 . . 1 . . . . . 29 A C2 . 28090 1 243 . 1 . 1 29 29 A N1 N 15 220.643 . . 1 . . . . . 29 A N1 . 28090 1 244 . 1 . 1 30 30 C H1' H 1 5.402 . . 1 . . . . . 30 C H1' . 28090 1 245 . 1 . 1 30 30 C H5 H 1 5.142 . . 1 . . . . . 30 C H5 . 28090 1 246 . 1 . 1 30 30 C H6 H 1 7.310 . . 1 . . . . . 30 C H6 . 28090 1 247 . 1 . 1 30 30 C H41 H 1 8.258 . . 2 . . . . . 30 C H41 . 28090 1 248 . 1 . 1 30 30 C H42 H 1 6.951 . . 2 . . . . . 30 C H42 . 28090 1 249 . 1 . 1 30 30 C C6 C 13 139.214 . . 1 . . . . . 30 C C6 . 28090 1 250 . 1 . 1 30 30 C N1 N 15 150.599 . . 1 . . . . . 30 C N1 . 28090 1 251 . 1 . 1 30 30 C N3 N 15 196.453 . . 1 . . . . . 30 C N3 . 28090 1 252 . 1 . 1 30 30 C N4 N 15 98.286 . . 1 . . . . . 30 C N4 . 28090 1 stop_ save_