################################### # 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 25781 _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' . . . 25781 1 2 '2D 1H-13C HSQC' . . . 25781 1 4 '2D 1H-1H NOESY' . . . 25781 1 5 '3D HCCH-TOCSY' . . . 25781 1 6 '3D 1H-13C NOESY' . . . 25781 1 7 '2D DQF-COSY' . . . 25781 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 11.559 0.05 . . . . . A 1 G H1 . 25781 1 2 . 1 1 1 1 G H1' H 1 5.797 0.05 . . . . . A 1 G H1' . 25781 1 3 . 1 1 1 1 G H2' H 1 4.893 0.05 . . . . . A 1 G H2' . 25781 1 4 . 1 1 1 1 G H8 H 1 8.124 0.05 . . . . . A 1 G H8 . 25781 1 5 . 1 1 1 1 G N1 N 15 144.938 0.12 . . . . . A 1 G N1 . 25781 1 6 . 1 1 2 2 G H1 H 1 12.663 0.05 . . . . . A 2 G H1 . 25781 1 7 . 1 1 2 2 G H1' H 1 5.936 0.05 . . . . . A 2 G H1' . 25781 1 8 . 1 1 2 2 G H2' H 1 4.636 0.05 . . . . . A 2 G H2' . 25781 1 9 . 1 1 2 2 G H3' H 1 4.508 0.05 . . . . . A 2 G H3' . 25781 1 10 . 1 1 2 2 G H8 H 1 7.630 0.05 . . . . . A 2 G H8 . 25781 1 11 . 1 1 2 2 G C8 C 13 135.989 0.12 . . . . . A 2 G C8 . 25781 1 12 . 1 1 2 2 G N1 N 15 147.617 0.12 . . . . . A 2 G N1 . 25781 1 13 . 1 1 3 3 G H1 H 1 10.207 0.05 . . . . . A 3 G H1 . 25781 1 14 . 1 1 3 3 G H1' H 1 5.754 0.05 . . . . . A 3 G H1' . 25781 1 15 . 1 1 3 3 G H2' H 1 4.635 0.05 . . . . . A 3 G H2' . 25781 1 16 . 1 1 3 3 G H3' H 1 4.148 0.05 . . . . . A 3 G H3' . 25781 1 17 . 1 1 3 3 G H4' H 1 4.444 0.05 . . . . . A 3 G H4' . 25781 1 18 . 1 1 3 3 G H8 H 1 7.186 0.05 . . . . . A 3 G H8 . 25781 1 19 . 1 1 3 3 G C1' C 13 90.850 0.12 . . . . . A 3 G C1' . 25781 1 20 . 1 1 3 3 G C8 C 13 134.411 0.12 . . . . . A 3 G C8 . 25781 1 21 . 1 1 4 4 U H1' H 1 5.494 0.05 . . . . . A 4 U H1' . 25781 1 22 . 1 1 4 4 U H2' H 1 4.266 0.05 . . . . . A 4 U H2' . 25781 1 23 . 1 1 4 4 U H3 H 1 13.421 0.05 . . . . . A 4 U H3 . 25781 1 24 . 1 1 4 4 U H3' H 1 4.333 0.05 . . . . . A 4 U H3' . 25781 1 25 . 1 1 4 4 U H5 H 1 5.258 0.05 . . . . . A 4 U H5 . 25781 1 26 . 1 1 4 4 U H6 H 1 7.576 0.05 . . . . . A 4 U H6 . 25781 1 27 . 1 1 4 4 U C5 C 13 100.924 0.12 . . . . . A 4 U C5 . 25781 1 28 . 1 1 5 5 A H1' H 1 5.944 0.05 . . . . . A 5 A H1' . 25781 1 29 . 1 1 5 5 A H2 H 1 6.789 0.05 . . . . . A 5 A H2 . 25781 1 30 . 1 1 5 5 A H2' H 1 4.459 0.05 . . . . . A 5 A H2' . 25781 1 31 . 1 1 5 5 A H8 H 1 8.066 0.05 . . . . . A 5 A H8 . 25781 1 32 . 1 1 5 5 A C2 C 13 150.494 0.12 . . . . . A 5 A C2 . 25781 1 33 . 1 1 6 6 G H1' H 1 5.650 0.05 . . . . . A 6 G H1' . 25781 1 34 . 1 1 6 6 G H2' H 1 4.474 0.05 . . . . . A 6 G H2' . 25781 1 35 . 1 1 6 6 G H8 H 1 7.647 0.05 . . . . . A 6 G H8 . 25781 1 36 . 1 1 6 6 G C1' C 13 90.097 0.12 . . . . . A 6 G C1' . 25781 1 37 . 1 1 6 6 G C8 C 13 134.637 0.12 . . . . . A 6 G C8 . 25781 1 38 . 1 1 7 7 A H1' H 1 5.888 0.05 . . . . . A 7 A H1' . 25781 1 39 . 1 1 7 7 A H2 H 1 7.472 0.05 . . . . . A 7 A H2 . 25781 1 40 . 1 1 7 7 A H2' H 1 4.726 0.05 . . . . . A 7 A H2' . 25781 1 41 . 1 1 7 7 A H8 H 1 7.921 0.05 . . . . . A 7 A H8 . 25781 1 42 . 1 1 7 7 A C2 C 13 150.550 0.12 . . . . . A 7 A C2 . 25781 1 43 . 1 1 8 8 G H1 H 1 13.158 0.05 . . . . . A 8 G H1 . 25781 1 44 . 1 1 8 8 G H1' H 1 5.661 0.05 . . . . . A 8 G H1' . 25781 1 45 . 1 1 8 8 G H2' H 1 4.424 0.05 . . . . . A 8 G H2' . 25781 1 46 . 1 1 8 8 G H8 H 1 7.280 0.05 . . . . . A 8 G H8 . 25781 1 47 . 1 1 8 8 G C8 C 13 133.995 0.12 . . . . . A 8 G C8 . 25781 1 48 . 1 1 8 8 G N1 N 15 147.890 0.12 . . . . . A 8 G N1 . 25781 1 49 . 1 1 9 9 U H1' H 1 5.510 0.05 . . . . . A 9 U H1' . 25781 1 50 . 1 1 9 9 U H2' H 1 4.552 0.05 . . . . . A 9 U H2' . 25781 1 51 . 1 1 9 9 U H3 H 1 13.383 0.05 . . . . . A 9 U H3 . 25781 1 52 . 1 1 9 9 U H5 H 1 5.043 0.05 . . . . . A 9 U H5 . 25781 1 53 . 1 1 9 9 U H6 H 1 7.691 0.05 . . . . . A 9 U H6 . 25781 1 54 . 1 1 9 9 U N3 N 15 161.697 0.12 . . . . . A 9 U N3 . 25781 1 55 . 1 1 10 10 A H1' H 1 5.960 0.05 . . . . . A 10 A H1' . 25781 1 56 . 1 1 10 10 A H2 H 1 6.929 0.05 . . . . . A 10 A H2 . 25781 1 57 . 1 1 10 10 A H2' H 1 4.377 0.05 . . . . . A 10 A H2' . 25781 1 58 . 1 1 10 10 A H8 H 1 8.106 0.05 . . . . . A 10 A H8 . 25781 1 59 . 1 1 10 10 A H61 H 1 6.317 0.05 . . . . . A 10 A H61 . 25781 1 60 . 1 1 10 10 A H62 H 1 7.640 0.05 . . . . . A 10 A H62 . 25781 1 61 . 1 1 10 10 A C2 C 13 150.354 0.12 . . . . . A 10 A C2 . 25781 1 62 . 1 1 11 11 U H1' H 1 5.352 0.05 . . . . . A 11 U H1' . 25781 1 63 . 1 1 11 11 U H2' H 1 4.283 0.05 . . . . . A 11 U H2' . 25781 1 64 . 1 1 11 11 U H3 H 1 13.085 0.05 . . . . . A 11 U H3 . 25781 1 65 . 1 1 11 11 U H5 H 1 5.011 0.05 . . . . . A 11 U H5 . 25781 1 66 . 1 1 11 11 U H6 H 1 7.584 0.05 . . . . . A 11 U H6 . 25781 1 67 . 1 1 11 11 U C1' C 13 90.525 0.12 . . . . . A 11 U C1' . 25781 1 68 . 1 1 11 11 U N3 N 15 161.396 0.12 . . . . . A 11 U N3 . 25781 1 69 . 1 1 12 12 A H1' H 1 5.874 0.05 . . . . . A 12 A H1' . 25781 1 70 . 1 1 12 12 A H2 H 1 6.545 0.05 . . . . . A 12 A H2 . 25781 1 71 . 1 1 12 12 A H2' H 1 4.488 0.05 . . . . . A 12 A H2' . 25781 1 72 . 1 1 12 12 A H8 H 1 7.979 0.05 . . . . . A 12 A H8 . 25781 1 73 . 1 1 12 12 A H61 H 1 6.228 0.05 . . . . . A 12 A H61 . 25781 1 74 . 1 1 12 12 A H62 H 1 7.635 0.05 . . . . . A 12 A H62 . 25781 1 75 . 1 1 12 12 A C2 C 13 149.740 0.12 . . . . . A 12 A C2 . 25781 1 76 . 1 1 12 12 A C8 C 13 137.038 0.12 . . . . . A 12 A C8 . 25781 1 77 . 1 1 13 13 A H1' H 1 5.718 0.05 . . . . . A 13 A H1' . 25781 1 78 . 1 1 13 13 A H2 H 1 7.753 0.05 . . . . . A 13 A H2 . 25781 1 79 . 1 1 13 13 A H2' H 1 4.268 0.05 . . . . . A 13 A H2' . 25781 1 80 . 1 1 13 13 A H3' H 1 4.368 0.05 . . . . . A 13 A H3' . 25781 1 81 . 1 1 13 13 A H8 H 1 7.533 0.05 . . . . . A 13 A H8 . 25781 1 82 . 1 1 13 13 A C1' C 13 89.923 0.12 . . . . . A 13 A C1' . 25781 1 83 . 1 1 13 13 A C2 C 13 151.301 0.12 . . . . . A 13 A C2 . 25781 1 84 . 1 1 13 13 A C8 C 13 136.503 0.12 . . . . . A 13 A C8 . 25781 1 85 . 1 1 14 14 U H1' H 1 5.312 0.05 . . . . . A 14 U H1' . 25781 1 86 . 1 1 14 14 U H2' H 1 3.917 0.05 . . . . . A 14 U H2' . 25781 1 87 . 1 1 14 14 U H3' H 1 4.204 0.05 . . . . . A 14 U H3' . 25781 1 88 . 1 1 14 14 U H5 H 1 5.123 0.05 . . . . . A 14 U H5 . 25781 1 89 . 1 1 14 14 U H6 H 1 7.292 0.05 . . . . . A 14 U H6 . 25781 1 90 . 1 1 14 14 U C1' C 13 89.869 0.12 . . . . . A 14 U C1' . 25781 1 91 . 1 1 14 14 U C5 C 13 100.936 0.12 . . . . . A 14 U C5 . 25781 1 92 . 1 1 14 14 U C6 C 13 138.517 0.12 . . . . . A 14 U C6 . 25781 1 93 . 1 1 15 15 U H1' H 1 5.374 0.05 . . . . . A 15 U H1' . 25781 1 94 . 1 1 15 15 U H2' H 1 4.521 0.05 . . . . . A 15 U H2' . 25781 1 95 . 1 1 15 15 U H3 H 1 9.995 0.05 . . . . . A 15 U H3 . 25781 1 96 . 1 1 15 15 U H3' H 1 4.439 0.05 . . . . . A 15 U H3' . 25781 1 97 . 1 1 15 15 U H5 H 1 5.630 0.05 . . . . . A 15 U H5 . 25781 1 98 . 1 1 15 15 U H6 H 1 7.841 0.05 . . . . . A 15 U H6 . 25781 1 99 . 1 1 15 15 U C1' C 13 90.532 0.12 . . . . . A 15 U C1' . 25781 1 100 . 1 1 15 15 U C5 C 13 101.061 0.12 . . . . . A 15 U C5 . 25781 1 101 . 1 1 16 16 A H1' H 1 5.989 0.05 . . . . . A 16 A H1' . 25781 1 102 . 1 1 16 16 A H2 H 1 7.599 0.05 . . . . . A 16 A H2 . 25781 1 103 . 1 1 16 16 A H2' H 1 4.690 0.05 . . . . . A 16 A H2' . 25781 1 104 . 1 1 16 16 A H8 H 1 8.093 0.05 . . . . . A 16 A H8 . 25781 1 105 . 1 1 16 16 A C1' C 13 89.556 0.12 . . . . . A 16 A C1' . 25781 1 106 . 1 1 16 16 A C2 C 13 150.279 0.12 . . . . . A 16 A C2 . 25781 1 107 . 1 1 17 17 G H1 H 1 13.227 0.05 . . . . . A 17 G H1 . 25781 1 108 . 1 1 17 17 G H1' H 1 5.647 0.05 . . . . . A 17 G H1' . 25781 1 109 . 1 1 17 17 G H2' H 1 4.386 0.05 . . . . . A 17 G H2' . 25781 1 110 . 1 1 17 17 G H8 H 1 7.158 0.05 . . . . . A 17 G H8 . 25781 1 111 . 1 1 17 17 G H21 H 1 8.574 0.05 . . . . . A 17 G H21 . 25781 1 112 . 1 1 17 17 G H22 H 1 6.272 0.05 . . . . . A 17 G H22 . 25781 1 113 . 1 1 17 17 G C1' C 13 89.617 0.12 . . . . . A 17 G C1' . 25781 1 114 . 1 1 17 17 G C8 C 13 133.781 0.12 . . . . . A 17 G C8 . 25781 1 115 . 1 1 17 17 G N1 N 15 148.216 0.12 . . . . . A 17 G N1 . 25781 1 116 . 1 1 18 18 U H1' H 1 5.605 0.05 . . . . . A 18 U H1' . 25781 1 117 . 1 1 18 18 U H2' H 1 4.555 0.05 . . . . . A 18 U H2' . 25781 1 118 . 1 1 18 18 U H3 H 1 14.330 0.05 . . . . . A 18 U H3 . 25781 1 119 . 1 1 18 18 U H5 H 1 5.000 0.05 . . . . . A 18 U H5 . 25781 1 120 . 1 1 18 18 U H6 H 1 7.814 0.05 . . . . . A 18 U H6 . 25781 1 121 . 1 1 18 18 U C1' C 13 90.981 0.12 . . . . . A 18 U C1' . 25781 1 122 . 1 1 18 18 U N3 N 15 162.753 0.12 . . . . . A 18 U N3 . 25781 1 123 . 1 1 19 19 C H1' H 1 5.520 0.05 . . . . . A 19 C H1' . 25781 1 124 . 1 1 19 19 C H2' H 1 4.413 0.05 . . . . . A 19 C H2' . 25781 1 125 . 1 1 19 19 C H5 H 1 5.585 0.05 . . . . . A 19 C H5 . 25781 1 126 . 1 1 19 19 C H6 H 1 7.689 0.05 . . . . . A 19 C H6 . 25781 1 127 . 1 1 19 19 C H41 H 1 8.464 0.05 . . . . . A 19 C H41 . 25781 1 128 . 1 1 19 19 C H42 H 1 6.879 0.05 . . . . . A 19 C H42 . 25781 1 129 . 1 1 19 19 C C5 C 13 94.829 0.12 . . . . . A 19 C C5 . 25781 1 130 . 1 1 19 19 C C6 C 13 138.476 0.12 . . . . . A 19 C C6 . 25781 1 131 . 1 1 20 20 U H1' H 1 5.495 0.05 . . . . . A 20 U H1' . 25781 1 132 . 1 1 20 20 U HO2' H 1 6.547 0.05 . . . . . A 20 U H2' . 25781 1 133 . 1 1 20 20 U H2' H 1 3.674 0.05 . . . . . A 20 U H2'' . 25781 1 134 . 1 1 20 20 U H3 H 1 11.654 0.05 . . . . . A 20 U H3 . 25781 1 135 . 1 1 20 20 U H5 H 1 5.690 0.05 . . . . . A 20 U H5 . 25781 1 136 . 1 1 20 20 U H6 H 1 7.745 0.05 . . . . . A 20 U H6 . 25781 1 137 . 1 1 20 20 U C5 C 13 102.234 0.12 . . . . . A 20 U C5 . 25781 1 138 . 1 1 20 20 U C6 C 13 139.459 0.12 . . . . . A 20 U C6 . 25781 1 139 . 1 1 21 21 U H1' H 1 6.071 0.05 . . . . . A 21 U H1' . 25781 1 140 . 1 1 21 21 U H2' H 1 4.586 0.05 . . . . . A 21 U H2' . 25781 1 141 . 1 1 21 21 U H3 H 1 11.404 0.05 . . . . . A 21 U H3 . 25781 1 142 . 1 1 21 21 U H3' H 1 4.150 0.05 . . . . . A 21 U H3' . 25781 1 143 . 1 1 21 21 U H4' H 1 4.397 0.05 . . . . . A 21 U H4' . 25781 1 144 . 1 1 21 21 U H5 H 1 5.819 0.05 . . . . . A 21 U H5 . 25781 1 145 . 1 1 21 21 U H5' H 1 4.156 0.05 . . . . . A 21 U H5' . 25781 1 146 . 1 1 21 21 U H5'' H 1 3.900 0.05 . . . . . A 21 U H5'' . 25781 1 147 . 1 1 21 21 U H6 H 1 7.993 0.05 . . . . . A 21 U H6 . 25781 1 148 . 1 1 21 21 U C5 C 13 102.785 0.12 . . . . . A 21 U C5 . 25781 1 149 . 1 1 21 21 U C6 C 13 141.995 0.12 . . . . . A 21 U C6 . 25781 1 150 . 1 1 22 22 C H1' H 1 5.924 0.05 . . . . . A 22 C H1' . 25781 1 151 . 1 1 22 22 C H2' H 1 4.038 0.05 . . . . . A 22 C H2' . 25781 1 152 . 1 1 22 22 C H3' H 1 4.416 0.05 . . . . . A 22 C H3' . 25781 1 153 . 1 1 22 22 C H4' H 1 3.717 0.05 . . . . . A 22 C H4' . 25781 1 154 . 1 1 22 22 C H5 H 1 6.081 0.05 . . . . . A 22 C H5 . 25781 1 155 . 1 1 22 22 C H5' H 1 3.500 0.05 . . . . . A 22 C H5' . 25781 1 156 . 1 1 22 22 C H5'' H 1 2.586 0.05 . . . . . A 22 C H5'' . 25781 1 157 . 1 1 22 22 C H6 H 1 7.644 0.05 . . . . . A 22 C H6 . 25781 1 158 . 1 1 22 22 C C5 C 13 95.961 0.12 . . . . . A 22 C C5 . 25781 1 159 . 1 1 23 23 G H1 H 1 9.709 0.05 . . . . . A 23 G H1 . 25781 1 160 . 1 1 23 23 G H1' H 1 5.933 0.05 . . . . . A 23 G H1' . 25781 1 161 . 1 1 23 23 G H2' H 1 4.808 0.05 . . . . . A 23 G H2' . 25781 1 162 . 1 1 23 23 G H3' H 1 5.618 0.05 . . . . . A 23 G H3' . 25781 1 163 . 1 1 23 23 G H5' H 1 4.341 0.05 . . . . . A 23 G H5' . 25781 1 164 . 1 1 23 23 G H5'' H 1 4.111 0.05 . . . . . A 23 G H5'' . 25781 1 165 . 1 1 23 23 G H8 H 1 7.826 0.05 . . . . . A 23 G H8 . 25781 1 166 . 1 1 23 23 G H21 H 1 6.248 0.05 . . . . . A 23 G H21 . 25781 1 167 . 1 1 23 23 G C1' C 13 91.841 0.12 . . . . . A 23 G C1' . 25781 1 168 . 1 1 23 23 G N1 N 15 143.170 0.12 . . . . . A 23 G N1 . 25781 1 169 . 1 1 24 24 G H1 H 1 12.610 0.05 . . . . . A 24 G H1 . 25781 1 170 . 1 1 24 24 G H1' H 1 4.364 0.05 . . . . . A 24 G H1' . 25781 1 171 . 1 1 24 24 G H2' H 1 4.442 0.05 . . . . . A 24 G H2' . 25781 1 172 . 1 1 24 24 G H8 H 1 8.280 0.05 . . . . . A 24 G H8 . 25781 1 173 . 1 1 24 24 G H21 H 1 8.048 0.05 . . . . . A 24 G H21 . 25781 1 174 . 1 1 24 24 G H22 H 1 6.216 0.05 . . . . . A 24 G H22 . 25781 1 175 . 1 1 24 24 G C8 C 13 136.336 0.12 . . . . . A 24 G C8 . 25781 1 176 . 1 1 24 24 G N1 N 15 147.018 0.12 . . . . . A 24 G N1 . 25781 1 177 . 1 1 25 25 A H1' H 1 5.957 0.05 . . . . . A 25 A H1' . 25781 1 178 . 1 1 25 25 A H2 H 1 7.805 0.05 . . . . . A 25 A H2 . 25781 1 179 . 1 1 25 25 A H2' H 1 4.524 0.05 . . . . . A 25 A H2' . 25781 1 180 . 1 1 25 25 A H3' H 1 4.559 0.05 . . . . . A 25 A H3' . 25781 1 181 . 1 1 25 25 A H8 H 1 7.829 0.05 . . . . . A 25 A H8 . 25781 1 182 . 1 1 25 25 A H61 H 1 6.516 0.05 . . . . . A 25 A H61 . 25781 1 183 . 1 1 25 25 A H62 H 1 8.226 0.05 . . . . . A 25 A H62 . 25781 1 184 . 1 1 25 25 A C2 C 13 151.219 0.12 . . . . . A 25 A C2 . 25781 1 185 . 1 1 25 25 A C8 C 13 136.826 0.12 . . . . . A 25 A C8 . 25781 1 186 . 1 1 26 26 C H1' H 1 5.363 0.05 . . . . . A 26 C H1' . 25781 1 187 . 1 1 26 26 C H2' H 1 4.255 0.05 . . . . . A 26 C H2' . 25781 1 188 . 1 1 26 26 C H3' H 1 4.167 0.05 . . . . . A 26 C H3' . 25781 1 189 . 1 1 26 26 C H5 H 1 5.200 0.05 . . . . . A 26 C H5 . 25781 1 190 . 1 1 26 26 C H6 H 1 7.309 0.05 . . . . . A 26 C H6 . 25781 1 191 . 1 1 26 26 C H41 H 1 8.436 0.05 . . . . . A 26 C H41 . 25781 1 192 . 1 1 26 26 C H42 H 1 7.003 0.05 . . . . . A 26 C H42 . 25781 1 193 . 1 1 26 26 C C1' C 13 91.091 0.12 . . . . . A 26 C C1' . 25781 1 194 . 1 1 26 26 C C5 C 13 94.907 0.12 . . . . . A 26 C C5 . 25781 1 195 . 1 1 26 26 C C6 C 13 137.829 0.12 . . . . . A 26 C C6 . 25781 1 196 . 1 1 27 27 U H1' H 1 5.573 0.05 . . . . . A 27 U H1' . 25781 1 197 . 1 1 27 27 U H2' H 1 4.469 0.05 . . . . . A 27 U H2' . 25781 1 198 . 1 1 27 27 U H3 H 1 14.081 0.05 . . . . . A 27 U H3 . 25781 1 199 . 1 1 27 27 U H5 H 1 5.378 0.05 . . . . . A 27 U H5 . 25781 1 200 . 1 1 27 27 U H6 H 1 7.639 0.05 . . . . . A 27 U H6 . 25781 1 201 . 1 1 27 27 U C1' C 13 90.502 0.12 . . . . . A 27 U C1' . 25781 1 202 . 1 1 27 27 U C5 C 13 101.413 0.12 . . . . . A 27 U C5 . 25781 1 203 . 1 1 27 27 U N3 N 15 162.181 0.12 . . . . . A 27 U N3 . 25781 1 204 . 1 1 28 28 U H1' H 1 5.182 0.05 . . . . . A 28 U H1' . 25781 1 205 . 1 1 28 28 U H2' H 1 3.923 0.05 . . . . . A 28 U H2' . 25781 1 206 . 1 1 28 28 U H3 H 1 11.105 0.05 . . . . . A 28 U H3 . 25781 1 207 . 1 1 28 28 U H3' H 1 4.310 0.05 . . . . . A 28 U H3' . 25781 1 208 . 1 1 28 28 U H5 H 1 5.602 0.05 . . . . . A 28 U H5 . 25781 1 209 . 1 1 28 28 U H6 H 1 7.715 0.05 . . . . . A 28 U H6 . 25781 1 210 . 1 1 28 28 U C1' C 13 91.388 0.12 . . . . . A 28 U C1' . 25781 1 211 . 1 1 28 28 U C6 C 13 138.036 0.12 . . . . . A 28 U C6 . 25781 1 212 . 1 1 28 28 U N3 N 15 157.486 0.12 . . . . . A 28 U N3 . 25781 1 213 . 1 1 29 29 C H1' H 1 5.385 0.05 . . . . . A 29 C H1' . 25781 1 214 . 1 1 29 29 C H2' H 1 4.184 0.05 . . . . . A 29 C H2' . 25781 1 215 . 1 1 29 29 C H5 H 1 5.458 0.05 . . . . . A 29 C H5 . 25781 1 216 . 1 1 29 29 C H6 H 1 7.670 0.05 . . . . . A 29 C H6 . 25781 1 217 . 1 1 29 29 C C5 C 13 94.323 0.12 . . . . . A 29 C C5 . 25781 1 218 . 1 1 30 30 C H1' H 1 5.658 0.05 . . . . . A 30 C H1' . 25781 1 219 . 1 1 30 30 C H2' H 1 4.209 0.05 . . . . . A 30 C H2' . 25781 1 220 . 1 1 30 30 C H5 H 1 5.745 0.05 . . . . . A 30 C H5 . 25781 1 221 . 1 1 30 30 C H6 H 1 7.803 0.05 . . . . . A 30 C H6 . 25781 1 222 . 1 1 30 30 C C5 C 13 95.596 0.12 . . . . . A 30 C C5 . 25781 1 223 . 1 1 31 31 U H1' H 1 5.591 0.05 . . . . . A 31 U H1' . 25781 1 224 . 1 1 31 31 U H2' H 1 4.466 0.05 . . . . . A 31 U H2' . 25781 1 225 . 1 1 31 31 U H3 H 1 12.998 0.05 . . . . . A 31 U H3 . 25781 1 226 . 1 1 31 31 U H5 H 1 5.718 0.05 . . . . . A 31 U H5 . 25781 1 227 . 1 1 31 31 U H6 H 1 7.792 0.05 . . . . . A 31 U H6 . 25781 1 228 . 1 1 31 31 U C5 C 13 101.949 0.12 . . . . . A 31 U C5 . 25781 1 229 . 1 1 32 32 U H1' H 1 5.647 0.05 . . . . . A 32 U H1' . 25781 1 230 . 1 1 32 32 U H2' H 1 4.537 0.05 . . . . . A 32 U H2' . 25781 1 231 . 1 1 32 32 U H3 H 1 12.795 0.05 . . . . . A 32 U H3 . 25781 1 232 . 1 1 32 32 U H5 H 1 5.707 0.05 . . . . . A 32 U H5 . 25781 1 233 . 1 1 32 32 U H6 H 1 7.974 0.05 . . . . . A 32 U H6 . 25781 1 234 . 1 1 32 32 U C5 C 13 101.283 0.12 . . . . . A 32 U C5 . 25781 1 235 . 1 1 32 32 U C6 C 13 140.363 0.12 . . . . . A 32 U C6 . 25781 1 236 . 1 1 32 32 U N3 N 15 161.808 0.12 . . . . . A 32 U N3 . 25781 1 237 . 1 1 33 33 A H1' H 1 5.956 0.05 . . . . . A 33 A H1' . 25781 1 238 . 1 1 33 33 A H2 H 1 6.939 0.05 . . . . . A 33 A H2 . 25781 1 239 . 1 1 33 33 A H2' H 1 4.354 0.05 . . . . . A 33 A H2' . 25781 1 240 . 1 1 33 33 A H8 H 1 8.211 0.05 . . . . . A 33 A H8 . 25781 1 241 . 1 1 33 33 A H61 H 1 6.377 0.05 . . . . . A 33 A H61 . 25781 1 242 . 1 1 33 33 A H62 H 1 7.541 0.05 . . . . . A 33 A H62 . 25781 1 243 . 1 1 33 33 A C2 C 13 150.354 0.12 . . . . . A 33 A C2 . 25781 1 244 . 1 1 33 33 A C8 C 13 137.537 0.12 . . . . . A 33 A C8 . 25781 1 245 . 1 1 34 34 U H1' H 1 5.354 0.05 . . . . . A 34 U H1' . 25781 1 246 . 1 1 34 34 U H2' H 1 4.265 0.05 . . . . . A 34 U H2' . 25781 1 247 . 1 1 34 34 U H3 H 1 13.111 0.05 . . . . . A 34 U H3 . 25781 1 248 . 1 1 34 34 U H5 H 1 5.077 0.05 . . . . . A 34 U H5 . 25781 1 249 . 1 1 34 34 U H6 H 1 7.614 0.05 . . . . . A 34 U H6 . 25781 1 250 . 1 1 34 34 U C1' C 13 90.365 0.12 . . . . . A 34 U C1' . 25781 1 251 . 1 1 34 34 U N3 N 15 161.379 0.12 . . . . . A 34 U N3 . 25781 1 252 . 1 1 35 35 A H1' H 1 5.934 0.05 . . . . . A 35 A H1' . 25781 1 253 . 1 1 35 35 A H2 H 1 7.077 0.05 . . . . . A 35 A H2 . 25781 1 254 . 1 1 35 35 A H2' H 1 4.423 0.05 . . . . . A 35 A H2' . 25781 1 255 . 1 1 35 35 A H3' H 1 4.579 0.05 . . . . . A 35 A H3' . 25781 1 256 . 1 1 35 35 A H8 H 1 8.072 0.05 . . . . . A 35 A H8 . 25781 1 257 . 1 1 35 35 A H61 H 1 6.217 0.05 . . . . . A 35 A H61 . 25781 1 258 . 1 1 35 35 A H62 H 1 7.752 0.05 . . . . . A 35 A H62 . 25781 1 259 . 1 1 35 35 A C2 C 13 150.652 0.12 . . . . . A 35 A C2 . 25781 1 260 . 1 1 36 36 C H1' H 1 5.305 0.05 . . . . . A 36 C H1' . 25781 1 261 . 1 1 36 36 C H2' H 1 4.161 0.05 . . . . . A 36 C H2' . 25781 1 262 . 1 1 36 36 C H3' H 1 4.227 0.05 . . . . . A 36 C H3' . 25781 1 263 . 1 1 36 36 C H4' H 1 4.307 0.05 . . . . . A 36 C H4' . 25781 1 264 . 1 1 36 36 C H5 H 1 5.143 0.05 . . . . . A 36 C H5 . 25781 1 265 . 1 1 36 36 C H6 H 1 7.413 0.05 . . . . . A 36 C H6 . 25781 1 266 . 1 1 36 36 C H41 H 1 8.178 0.05 . . . . . A 36 C H41 . 25781 1 267 . 1 1 36 36 C H42 H 1 6.755 0.05 . . . . . A 36 C H42 . 25781 1 268 . 1 1 36 36 C C1' C 13 91.076 0.12 . . . . . A 36 C C1' . 25781 1 269 . 1 1 36 36 C C5 C 13 94.609 0.12 . . . . . A 36 C C5 . 25781 1 270 . 1 1 36 36 C C6 C 13 137.984 0.12 . . . . . A 36 C C6 . 25781 1 271 . 1 1 37 37 U H1' H 1 5.564 0.05 . . . . . A 37 U H1' . 25781 1 272 . 1 1 37 37 U H2' H 1 4.305 0.05 . . . . . A 37 U H2' . 25781 1 273 . 1 1 37 37 U H3' H 1 4.462 0.05 . . . . . A 37 U H3' . 25781 1 274 . 1 1 37 37 U H5 H 1 5.359 0.05 . . . . . A 37 U H5 . 25781 1 275 . 1 1 37 37 U H6 H 1 7.714 0.05 . . . . . A 37 U H6 . 25781 1 276 . 1 1 37 37 U C1' C 13 91.040 0.12 . . . . . A 37 U C1' . 25781 1 277 . 1 1 37 37 U C5 C 13 101.086 0.12 . . . . . A 37 U C5 . 25781 1 278 . 1 1 38 38 U H1' H 1 5.413 0.05 . . . . . A 38 U H1' . 25781 1 279 . 1 1 38 38 U H2' H 1 4.437 0.05 . . . . . A 38 U H2' . 25781 1 280 . 1 1 38 38 U H5 H 1 5.714 0.05 . . . . . A 38 U H5 . 25781 1 281 . 1 1 38 38 U H6 H 1 7.926 0.05 . . . . . A 38 U H6 . 25781 1 282 . 1 1 38 38 U C1' C 13 90.825 0.12 . . . . . A 38 U C1' . 25781 1 283 . 1 1 38 38 U C5 C 13 101.614 0.12 . . . . . A 38 U C5 . 25781 1 284 . 1 1 38 38 U C6 C 13 139.431 0.12 . . . . . A 38 U C6 . 25781 1 285 . 1 1 39 39 A H1' H 1 5.871 0.05 . . . . . A 39 A H1' . 25781 1 286 . 1 1 39 39 A H2 H 1 7.185 0.05 . . . . . A 39 A H2 . 25781 1 287 . 1 1 39 39 A H2' H 1 4.491 0.05 . . . . . A 39 A H2' . 25781 1 288 . 1 1 39 39 A H8 H 1 8.102 0.05 . . . . . A 39 A H8 . 25781 1 289 . 1 1 39 39 A C2 C 13 150.842 0.12 . . . . . A 39 A C2 . 25781 1 290 . 1 1 40 40 U H1' H 1 5.229 0.05 . . . . . A 40 U H1' . 25781 1 291 . 1 1 40 40 U H2' H 1 3.926 0.05 . . . . . A 40 U H2' . 25781 1 292 . 1 1 40 40 U H3 H 1 11.107 0.05 . . . . . A 40 U H3 . 25781 1 293 . 1 1 40 40 U H5 H 1 5.367 0.05 . . . . . A 40 U H5 . 25781 1 294 . 1 1 40 40 U H6 H 1 7.610 0.05 . . . . . A 40 U H6 . 25781 1 295 . 1 1 40 40 U C1' C 13 90.528 0.12 . . . . . A 40 U C1' . 25781 1 296 . 1 1 40 40 U C5 C 13 101.264 0.12 . . . . . A 40 U C5 . 25781 1 297 . 1 1 40 40 U N3 N 15 157.486 0.12 . . . . . A 40 U N3 . 25781 1 298 . 1 1 41 41 C H1' H 1 5.519 0.05 . . . . . A 41 C H1' . 25781 1 299 . 1 1 41 41 C H2' H 1 4.123 0.05 . . . . . A 41 C H2' . 25781 1 300 . 1 1 41 41 C H5 H 1 5.607 0.05 . . . . . A 41 C H5 . 25781 1 301 . 1 1 41 41 C H6 H 1 7.888 0.05 . . . . . A 41 C H6 . 25781 1 302 . 1 1 41 41 C H41 H 1 8.425 0.05 . . . . . A 41 C H41 . 25781 1 303 . 1 1 41 41 C H42 H 1 6.794 0.05 . . . . . A 41 C H42 . 25781 1 304 . 1 1 41 41 C C5 C 13 95.213 0.12 . . . . . A 41 C C5 . 25781 1 305 . 1 1 41 41 C C6 C 13 139.894 0.12 . . . . . A 41 C C6 . 25781 1 306 . 1 1 42 42 C H1' H 1 5.681 0.05 . . . . . A 42 C H1' . 25781 1 307 . 1 1 42 42 C H2' H 1 3.934 0.05 . . . . . A 42 C H2' . 25781 1 308 . 1 1 42 42 C H5 H 1 5.502 0.05 . . . . . A 42 C H5 . 25781 1 309 . 1 1 42 42 C H6 H 1 7.632 0.05 . . . . . A 42 C H6 . 25781 1 310 . 1 1 42 42 C H41 H 1 7.312 0.05 . . . . . A 42 C H41 . 25781 1 311 . 1 1 42 42 C H42 H 1 8.050 0.05 . . . . . A 42 C H42 . 25781 1 312 . 1 1 42 42 C C5 C 13 95.489 0.12 . . . . . A 42 C C5 . 25781 1 stop_ save_