################################### # 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 7405 _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 NOESY (11echo and watergate)' . . . 7405 1 2 '2D NOESY' . . . 7405 1 3 '2D TOCSY' . . . 7405 1 4 'Natural abundance 2D 13C HSQC' . . . 7405 1 5 '2D 15N-HMQC' . . . 7405 1 6 '2D 15N-CPMG-NOESY' . . . 7405 1 7 '2D JNN-HNN-COSY' . . . 7405 1 8 '2D 13C-HSQC' . . . 7405 1 9 '2D HCCH-COCSY' . . . 7405 1 10 '3D HCCH-TOCSY' . . . 7405 1 11 '2D 31P spin echo difference HCCH/HSQC/HMQC' . . . 7405 1 12 '2D CT-CE-HSQC' . . . 7405 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 12.925 . . 1 . . . . 1 G H1 . 7405 1 2 . 1 1 1 1 G H1' H 1 5.741 . . 1 . . . . 1 G H1' . 7405 1 3 . 1 1 1 1 G H2' H 1 4.870 . . 1 . . . . 1 G H2' . 7405 1 4 . 1 1 1 1 G H3' H 1 4.661 . . 1 . . . . 1 G H3' . 7405 1 5 . 1 1 1 1 G H4' H 1 4.492 . . 1 . . . . 1 G H4' . 7405 1 6 . 1 1 1 1 G H5' H 1 4.211 . . 2 . . . . 1 G H5' . 7405 1 7 . 1 1 1 1 G H5'' H 1 4.349 . . 2 . . . . 1 G H5'' . 7405 1 8 . 1 1 1 1 G H8 H 1 8.063 . . 1 . . . . 1 G H8 . 7405 1 9 . 1 1 1 1 G C1' C 13 89.02 . . 1 . . . . 1 G C1' . 7405 1 10 . 1 1 1 1 G C2' C 13 72.32 . . 1 . . . . 1 G C2' . 7405 1 11 . 1 1 1 1 G C3' C 13 72.17 . . 1 . . . . 1 G C3' . 7405 1 12 . 1 1 1 1 G C4' C 13 81.00 . . 1 . . . . 1 G C4' . 7405 1 13 . 1 1 1 1 G C5' C 13 64.87 . . 1 . . . . 1 G C5' . 7405 1 14 . 1 1 1 1 G C8 C 13 136.73 . . 1 . . . . 1 G C8 . 7405 1 15 . 1 1 1 1 G N1 N 15 146.82 . . 1 . . . . 1 G N1 . 7405 1 16 . 1 1 2 2 G H1 H 1 13.350 . . 1 . . . . 2 G H1 . 7405 1 17 . 1 1 2 2 G H1' H 1 5.831 . . 1 . . . . 2 G H1' . 7405 1 18 . 1 1 2 2 G H2' H 1 4.461 . . 1 . . . . 2 G H2' . 7405 1 19 . 1 1 2 2 G H3' H 1 4.589 . . 1 . . . . 2 G H3' . 7405 1 20 . 1 1 2 2 G H4' H 1 4.377 . . 1 . . . . 2 G H4' . 7405 1 21 . 1 1 2 2 G H5' H 1 4.037 . . 2 . . . . 2 G H5' . 7405 1 22 . 1 1 2 2 G H5'' H 1 4.402 . . 2 . . . . 2 G H5'' . 7405 1 23 . 1 1 2 2 G H8 H 1 7.587 . . 1 . . . . 2 G H8 . 7405 1 24 . 1 1 2 2 G C1' C 13 90.43 . . 1 . . . . 2 G C1' . 7405 1 25 . 1 1 2 2 G C2' C 13 70.51 . . 1 . . . . 2 G C2' . 7405 1 26 . 1 1 2 2 G C3' C 13 73.32 . . 1 . . . . 2 G C3' . 7405 1 27 . 1 1 2 2 G C4' C 13 79.44 . . 1 . . . . 2 G C4' . 7405 1 28 . 1 1 2 2 G C5' C 13 63.09 . . 1 . . . . 2 G C5' . 7405 1 29 . 1 1 2 2 G C8 C 13 134.51 . . 1 . . . . 2 G C8 . 7405 1 30 . 1 1 2 2 G N1 N 15 147.94 . . 1 . . . . 2 G N1 . 7405 1 31 . 1 1 3 3 C H1' H 1 5.434 . . 1 . . . . 3 C H1' . 7405 1 32 . 1 1 3 3 C H2' H 1 4.488 . . 1 . . . . 3 C H2' . 7405 1 33 . 1 1 3 3 C H3' H 1 4.422 . . 1 . . . . 3 C H3' . 7405 1 34 . 1 1 3 3 C H4' H 1 4.369 . . 1 . . . . 3 C H4' . 7405 1 35 . 1 1 3 3 C H5 H 1 5.210 . . 1 . . . . 3 C H5 . 7405 1 36 . 1 1 3 3 C H5' H 1 4.040 . . 2 . . . . 3 C H5' . 7405 1 37 . 1 1 3 3 C H5'' H 1 4.505 . . 2 . . . . 3 C H5'' . 7405 1 38 . 1 1 3 3 C H6 H 1 7.649 . . 1 . . . . 3 C H6 . 7405 1 39 . 1 1 3 3 C H41 H 1 6.915 . . 2 . . . . 3 C H41 . 7405 1 40 . 1 1 3 3 C H42 H 1 8.550 . . 2 . . . . 3 C H42 . 7405 1 41 . 1 1 3 3 C C1' C 13 90.82 . . 1 . . . . 3 C C1' . 7405 1 42 . 1 1 3 3 C C2' C 13 69.51 . . 1 . . . . 3 C C2' . 7405 1 43 . 1 1 3 3 C C3' C 13 72.83 . . 1 . . . . 3 C C3' . 7405 1 44 . 1 1 3 3 C C4' C 13 79.57 . . 1 . . . . 3 C C4' . 7405 1 45 . 1 1 3 3 C C5 C 13 94.99 . . 1 . . . . 3 C C5 . 7405 1 46 . 1 1 3 3 C C5' C 13 61.09 . . 1 . . . . 3 C C5' . 7405 1 47 . 1 1 3 3 C C6 C 13 138.28 . . 1 . . . . 3 C C6 . 7405 1 48 . 1 1 3 3 C N4 N 15 97.96 . . 1 . . . . 3 C N4 . 7405 1 49 . 1 1 4 4 A H1' H 1 5.848 . . 1 . . . . 4 A H1' . 7405 1 50 . 1 1 4 4 A H2 H 1 7.226 . . 1 . . . . 4 A H2 . 7405 1 51 . 1 1 4 4 A H2' H 1 4.392 . . 1 . . . . 4 A H2' . 7405 1 52 . 1 1 4 4 A H3' H 1 4.608 . . 1 . . . . 4 A H3' . 7405 1 53 . 1 1 4 4 A H4' H 1 4.410 . . 1 . . . . 4 A H4' . 7405 1 54 . 1 1 4 4 A H5' H 1 4.074 . . 2 . . . . 4 A H5' . 7405 1 55 . 1 1 4 4 A H5'' H 1 4.456 . . 2 . . . . 4 A H5'' . 7405 1 56 . 1 1 4 4 A H8 H 1 7.964 . . 1 . . . . 4 A H8 . 7405 1 57 . 1 1 4 4 A C1' C 13 90.58 . . 1 . . . . 4 A C1' . 7405 1 58 . 1 1 4 4 A C2 C 13 150.76 . . 1 . . . . 4 A C2 . 7405 1 59 . 1 1 4 4 A C2' C 13 73.17 . . 1 . . . . 4 A C2' . 7405 1 60 . 1 1 4 4 A C3' C 13 69.94 . . 1 . . . . 4 A C3' . 7405 1 61 . 1 1 4 4 A C4' C 13 79.33 . . 1 . . . . 4 A C4' . 7405 1 62 . 1 1 4 4 A C5' C 13 62.41 . . 1 . . . . 4 A C5' . 7405 1 63 . 1 1 4 4 A C8 C 13 136.91 . . 1 . . . . 4 A C8 . 7405 1 64 . 1 1 4 4 A N6 N 15 83.92 . . 1 . . . . 4 A N6 . 7405 1 65 . 1 1 5 5 C H1' H 1 5.295 . . 1 . . . . 5 C H1' . 7405 1 66 . 1 1 5 5 C H2' H 1 4.296 . . 1 . . . . 5 C H2' . 7405 1 67 . 1 1 5 5 C H3' H 1 4.382 . . 1 . . . . 5 C H3' . 7405 1 68 . 1 1 5 5 C H4' H 1 4.296 . . 1 . . . . 5 C H4' . 7405 1 69 . 1 1 5 5 C H5 H 1 5.107 . . 1 . . . . 5 C H5 . 7405 1 70 . 1 1 5 5 C H5' H 1 3.989 . . 2 . . . . 5 C H5' . 7405 1 71 . 1 1 5 5 C H5'' H 1 4.448 . . 2 . . . . 5 C H5'' . 7405 1 72 . 1 1 5 5 C H6 H 1 7.420 . . 1 . . . . 5 C H6 . 7405 1 73 . 1 1 5 5 C H41 H 1 6.939 . . 2 . . . . 5 C H41 . 7405 1 74 . 1 1 5 5 C H42 H 1 8.149 . . 2 . . . . 5 C H42 . 7405 1 75 . 1 1 5 5 C C1' C 13 90.88 . . 1 . . . . 5 C C1' . 7405 1 76 . 1 1 5 5 C C2' C 13 73.08 . . 1 . . . . 5 C C2' . 7405 1 77 . 1 1 5 5 C C3' C 13 69.66 . . 1 . . . . 5 C C3' . 7405 1 78 . 1 1 5 5 C C4' C 13 79.16 . . 1 . . . . 5 C C4' . 7405 1 79 . 1 1 5 5 C C5 C 13 94.93 . . 1 . . . . 5 C C5 . 7405 1 80 . 1 1 5 5 C C5' C 13 62.02 . . 1 . . . . 5 C C5' . 7405 1 81 . 1 1 5 5 C C6 C 13 137.88 . . 1 . . . . 5 C C6 . 7405 1 82 . 1 1 5 5 C N4 N 15 97.97 . . 1 . . . . 5 C N4 . 7405 1 83 . 1 1 6 6 A H1' H 1 5.824 . . 1 . . . . 6 A H1' . 7405 1 84 . 1 1 6 6 A H2 H 1 7.145 . . 1 . . . . 6 A H2 . 7405 1 85 . 1 1 6 6 A H2' H 1 4.601 . . 1 . . . . 6 A H2' . 7405 1 86 . 1 1 6 6 A H3' H 1 4.469 . . 1 . . . . 6 A H3' . 7405 1 87 . 1 1 6 6 A H4' H 1 4.372 . . 1 . . . . 6 A H4' . 7405 1 88 . 1 1 6 6 A H5' H 1 4.034 . . 2 . . . . 6 A H5' . 7405 1 89 . 1 1 6 6 A H5'' H 1 4.404 . . 2 . . . . 6 A H5'' . 7405 1 90 . 1 1 6 6 A H8 H 1 7.760 . . 1 . . . . 6 A H8 . 7405 1 91 . 1 1 6 6 A C1' C 13 90.20 . . 1 . . . . 6 A C1' . 7405 1 92 . 1 1 6 6 A C2 C 13 150.45 . . 1 . . . . 6 A C2 . 7405 1 93 . 1 1 6 6 A C2' C 13 73.33 . . 1 . . . . 6 A C2' . 7405 1 94 . 1 1 6 6 A C3' C 13 70.50 . . 1 . . . . 6 A C3' . 7405 1 95 . 1 1 6 6 A C4' C 13 79.44 . . 1 . . . . 6 A C4' . 7405 1 96 . 1 1 6 6 A C5' C 13 63.09 . . 1 . . . . 6 A C5' . 7405 1 97 . 1 1 6 6 A C8 C 13 137.77 . . 1 . . . . 6 A C8 . 7405 1 98 . 1 1 6 6 A N6 N 15 81.81 . . 1 . . . . 6 A N6 . 7405 1 99 . 1 1 7 7 G H1 H 1 10.202 . . 1 . . . . 7 G H1 . 7405 1 100 . 1 1 7 7 G H1' H 1 4.980 . . 1 . . . . 7 G H1' . 7405 1 101 . 1 1 7 7 G H2' H 1 4.308 . . 1 . . . . 7 G H2' . 7405 1 102 . 1 1 7 7 G H3' H 1 4.281 . . 1 . . . . 7 G H3' . 7405 1 103 . 1 1 7 7 G H4' H 1 4.310 . . 1 . . . . 7 G H4' . 7405 1 104 . 1 1 7 7 G H5' H 1 3.939 . . 2 . . . . 7 G H5' . 7405 1 105 . 1 1 7 7 G H5'' H 1 4.252 . . 2 . . . . 7 G H5'' . 7405 1 106 . 1 1 7 7 G H8 H 1 6.942 . . 1 . . . . 7 G H8 . 7405 1 107 . 1 1 7 7 G H21 H 1 6.342 . . 2 . . . . 7 G H21 . 7405 1 108 . 1 1 7 7 G C1' C 13 90.24 . . 1 . . . . 7 G C1' . 7405 1 109 . 1 1 7 7 G C2' C 13 72.18 . . 1 . . . . 7 G C2' . 7405 1 110 . 1 1 7 7 G C3' C 13 71.20 . . 1 . . . . 7 G C3' . 7405 1 111 . 1 1 7 7 G C4' C 13 80.17 . . 1 . . . . 7 G C4' . 7405 1 112 . 1 1 7 7 G C5' C 13 63.74 . . 1 . . . . 7 G C5' . 7405 1 113 . 1 1 7 7 G C8 C 13 134.17 . . 1 . . . . 7 G C8 . 7405 1 114 . 1 1 7 7 G N1 N 15 144.68 . . 1 . . . . 7 G N1 . 7405 1 115 . 1 1 7 7 G N2 N 15 72.50 . . 1 . . . . 7 G N2 . 7405 1 116 . 1 1 8 8 A H1' H 1 5.243 . . 1 . . . . 8 A H1' . 7405 1 117 . 1 1 8 8 A H2 H 1 7.787 . . 1 . . . . 8 A H2 . 7405 1 118 . 1 1 8 8 A H2' H 1 4.136 . . 1 . . . . 8 A H2' . 7405 1 119 . 1 1 8 8 A H3' H 1 4.469 . . 1 . . . . 8 A H3' . 7405 1 120 . 1 1 8 8 A H4' H 1 3.996 . . 1 . . . . 8 A H4' . 7405 1 121 . 1 1 8 8 A H5' H 1 3.917 . . 2 . . . . 8 A H5' . 7405 1 122 . 1 1 8 8 A H5'' H 1 4.266 . . 2 . . . . 8 A H5'' . 7405 1 123 . 1 1 8 8 A H8 H 1 7.646 . . 1 . . . . 8 A H8 . 7405 1 124 . 1 1 8 8 A C1' C 13 90.19 . . 1 . . . . 8 A C1' . 7405 1 125 . 1 1 8 8 A C2 C 13 153.84 . . 1 . . . . 8 A C2 . 7405 1 126 . 1 1 8 8 A C2' C 13 73.19 . . 1 . . . . 8 A C2' . 7405 1 127 . 1 1 8 8 A C3' C 13 70.69 . . 1 . . . . 8 A C3' . 7405 1 128 . 1 1 8 8 A C4' C 13 80.52 . . 1 . . . . 8 A C4' . 7405 1 129 . 1 1 8 8 A C5' C 13 62.65 . . 1 . . . . 8 A C5' . 7405 1 130 . 1 1 8 8 A C8 C 13 137.24 . . 1 . . . . 8 A C8 . 7405 1 131 . 1 1 8 8 A N6 N 15 79.80 . . 1 . . . . 8 A N6 . 7405 1 132 . 1 1 9 9 G H1' H 1 5.410 . . 1 . . . . 9 G H1' . 7405 1 133 . 1 1 9 9 G H2' H 1 4.698 . . 1 . . . . 9 G H2' . 7405 1 134 . 1 1 9 9 G H3' H 1 4.544 . . 1 . . . . 9 G H3' . 7405 1 135 . 1 1 9 9 G H4' H 1 4.245 . . 1 . . . . 9 G H4' . 7405 1 136 . 1 1 9 9 G H5' H 1 4.150 . . 2 . . . . 9 G H5' . 7405 1 137 . 1 1 9 9 G H5'' H 1 3.833 . . 2 . . . . 9 G H5'' . 7405 1 138 . 1 1 9 9 G H8 H 1 7.451 . . 1 . . . . 9 G H8 . 7405 1 139 . 1 1 9 9 G C1' C 13 87.45 . . 1 . . . . 9 G C1' . 7405 1 140 . 1 1 9 9 G C2' C 13 70.69 . . 1 . . . . 9 G C2' . 7405 1 141 . 1 1 9 9 G C3' C 13 75.05 . . 1 . . . . 9 G C3' . 7405 1 142 . 1 1 9 9 G C4' C 13 82.45 . . 1 . . . . 9 G C4' . 7405 1 143 . 1 1 9 9 G C5' C 13 64.08 . . 1 . . . . 9 G C5' . 7405 1 144 . 1 1 9 9 G C8 C 13 138.71 . . 1 . . . . 9 G C8 . 7405 1 145 . 1 1 10 10 U H1' H 1 5.875 . . 1 . . . . 10 U H1' . 7405 1 146 . 1 1 10 10 U H2' H 1 4.274 . . 1 . . . . 10 U H2' . 7405 1 147 . 1 1 10 10 U H3' H 1 4.515 . . 1 . . . . 10 U H3' . 7405 1 148 . 1 1 10 10 U H4' H 1 4.361 . . 1 . . . . 10 U H4' . 7405 1 149 . 1 1 10 10 U H5 H 1 5.772 . . 1 . . . . 10 U H5 . 7405 1 150 . 1 1 10 10 U H5' H 1 3.984 . . 2 . . . . 10 U H5' . 7405 1 151 . 1 1 10 10 U H5'' H 1 4.037 . . 2 . . . . 10 U H5'' . 7405 1 152 . 1 1 10 10 U H6 H 1 7.701 . . 1 . . . . 10 U H6 . 7405 1 153 . 1 1 10 10 U C1' C 13 87.89 . . 1 . . . . 10 U C1' . 7405 1 154 . 1 1 10 10 U C2' C 13 73.09 . . 1 . . . . 10 U C2' . 7405 1 155 . 1 1 10 10 U C3' C 13 74.62 . . 1 . . . . 10 U C3' . 7405 1 156 . 1 1 10 10 U C4' C 13 82.49 . . 1 . . . . 10 U C4' . 7405 1 157 . 1 1 10 10 U C5 C 13 102.30 . . 1 . . . . 10 U C5 . 7405 1 158 . 1 1 10 10 U C5' C 13 65.22 . . 1 . . . . 10 U C5' . 7405 1 159 . 1 1 11 11 U H1' H 1 5.782 . . 1 . . . . 11 U H1' . 7405 1 160 . 1 1 11 11 U H2' H 1 4.308 . . 1 . . . . 11 U H2' . 7405 1 161 . 1 1 11 11 U H3 H 1 10.569 . . 1 . . . . 11 U H3 . 7405 1 162 . 1 1 11 11 U H3' H 1 4.574 . . 1 . . . . 11 U H3' . 7405 1 163 . 1 1 11 11 U H4' H 1 4.353 . . 1 . . . . 11 U H4' . 7405 1 164 . 1 1 11 11 U H5 H 1 5.408 . . 1 . . . . 11 U H5 . 7405 1 165 . 1 1 11 11 U H5' H 1 4.072 . . 2 . . . . 11 U H5' . 7405 1 166 . 1 1 11 11 U H5'' H 1 4.147 . . 2 . . . . 11 U H5'' . 7405 1 167 . 1 1 11 11 U H6 H 1 7.448 . . 1 . . . . 11 U H6 . 7405 1 168 . 1 1 11 11 U C1' C 13 89.51 . . 1 . . . . 11 U C1' . 7405 1 169 . 1 1 11 11 U C2' C 13 73.15 . . 1 . . . . 11 U C2' . 7405 1 170 . 1 1 11 11 U C3' C 13 73.52 . . 1 . . . . 11 U C3' . 7405 1 171 . 1 1 11 11 U C4' C 13 81.861 . . 1 . . . . 11 U C4' . 7405 1 172 . 1 1 11 11 U C5 C 13 102.78 . . 1 . . . . 11 U C5 . 7405 1 173 . 1 1 11 11 U C5' C 13 65.19 . . 1 . . . . 11 U C5' . 7405 1 174 . 1 1 11 11 U C6 C 13 136.70 . . 1 . . . . 11 U C6 . 7405 1 175 . 1 1 12 12 A H1' H 1 6.098 . . 1 . . . . 12 A H1' . 7405 1 176 . 1 1 12 12 A H2 H 1 8.254 . . 1 . . . . 12 A H2 . 7405 1 177 . 1 1 12 12 A H2' H 1 4.779 . . 1 . . . . 12 A H2' . 7405 1 178 . 1 1 12 12 A H3' H 1 4.748 . . 1 . . . . 12 A H3' . 7405 1 179 . 1 1 12 12 A H4' H 1 4.518 . . 1 . . . . 12 A H4' . 7405 1 180 . 1 1 12 12 A H5' H 1 4.177 . . 2 . . . . 12 A H5' . 7405 1 181 . 1 1 12 12 A H5'' H 1 4.246 . . 2 . . . . 12 A H5'' . 7405 1 182 . 1 1 12 12 A H8 H 1 8.343 . . 1 . . . . 12 A H8 . 7405 1 183 . 1 1 12 12 A H61 H 1 6.503 . . 1 . . . . 12 A H61 . 7405 1 184 . 1 1 12 12 A C1' C 13 87.89 . . 1 . . . . 12 A C1' . 7405 1 185 . 1 1 12 12 A C2 C 13 152.17 . . 1 . . . . 12 A C2 . 7405 1 186 . 1 1 12 12 A C2' C 13 74.57 . . 1 . . . . 12 A C2' . 7405 1 187 . 1 1 12 12 A C3' C 13 74.01 . . 1 . . . . 12 A C3' . 7405 1 188 . 1 1 12 12 A C4' C 13 81.51 . . 1 . . . . 12 A C4' . 7405 1 189 . 1 1 12 12 A C5' C 13 65.14 . . 1 . . . . 12 A C5' . 7405 1 190 . 1 1 12 12 A C8 C 13 139.64 . . 1 . . . . 12 A C8 . 7405 1 191 . 1 1 12 12 A N6 N 15 80.41 . . 1 . . . . 12 A N6 . 7405 1 192 . 1 1 13 13 U H1' H 1 5.458 . . 1 . . . . 13 U H1' . 7405 1 193 . 1 1 13 13 U H2' H 1 4.577 . . 1 . . . . 13 U H2' . 7405 1 194 . 1 1 13 13 U H3 H 1 13.576 . . 1 . . . . 13 U H3 . 7405 1 195 . 1 1 13 13 U H3' H 1 4.423 . . 1 . . . . 13 U H3' . 7405 1 196 . 1 1 13 13 U H4' H 1 4.424 . . 1 . . . . 13 U H4' . 7405 1 197 . 1 1 13 13 U H5 H 1 5.805 . . 1 . . . . 13 U H5 . 7405 1 198 . 1 1 13 13 U H5' H 1 4.236 . . 2 . . . . 13 U H5' . 7405 1 199 . 1 1 13 13 U H5'' H 1 4.268 . . 2 . . . . 13 U H5'' . 7405 1 200 . 1 1 13 13 U H6 H 1 7.866 . . 1 . . . . 13 U H6 . 7405 1 201 . 1 1 13 13 U C1' C 13 90.32 . . 1 . . . . 13 U C1' . 7405 1 202 . 1 1 13 13 U C2' C 13 72.44 . . 1 . . . . 13 U C2' . 7405 1 203 . 1 1 13 13 U C3' C 13 71.71 . . 1 . . . . 13 U C3' . 7405 1 204 . 1 1 13 13 U C4' C 13 80.66 . . 1 . . . . 13 U C4' . 7405 1 205 . 1 1 13 13 U C5 C 13 102.87 . . 1 . . . . 13 U C5 . 7405 1 206 . 1 1 13 13 U C5' C 13 65.23 . . 1 . . . . 13 U C5' . 7405 1 207 . 1 1 13 13 U C6 C 13 140.61 . . 1 . . . . 13 U C6 . 7405 1 208 . 1 1 13 13 U N3 N 15 162.47 . . 1 . . . . 13 U N3 . 7405 1 209 . 1 1 14 14 G H1 H 1 12.341 . . 1 . . . . 14 G H1 . 7405 1 210 . 1 1 14 14 G H1' H 1 5.757 . . 1 . . . . 14 G H1' . 7405 1 211 . 1 1 14 14 G H2' H 1 4.391 . . 1 . . . . 14 G H2' . 7405 1 212 . 1 1 14 14 G H3' H 1 4.516 . . 1 . . . . 14 G H3' . 7405 1 213 . 1 1 14 14 G H4' H 1 4.424 . . 1 . . . . 14 G H4' . 7405 1 214 . 1 1 14 14 G H5' H 1 4.107 . . 2 . . . . 14 G H5' . 7405 1 215 . 1 1 14 14 G H5'' H 1 4.426 . . 2 . . . . 14 G H5'' . 7405 1 216 . 1 1 14 14 G H8 H 1 7.733 . . 1 . . . . 14 G H8 . 7405 1 217 . 1 1 14 14 G C1' C 13 90.44 . . 1 . . . . 14 G C1' . 7405 1 218 . 1 1 14 14 G C2' C 13 72.84 . . 1 . . . . 14 G C2' . 7405 1 219 . 1 1 14 14 G C3' C 13 70.35 . . 1 . . . . 14 G C3' . 7405 1 220 . 1 1 14 14 G C4' C 13 79.701 . . 1 . . . . 14 G C4' . 7405 1 221 . 1 1 14 14 G C5' C 13 63.257 . . 1 . . . . 14 G C5' . 7405 1 222 . 1 1 14 14 G N1 N 15 146.50 . . 1 . . . . 14 G N1 . 7405 1 223 . 1 1 15 15 U H1' H 1 5.426 . . 1 . . . . 15 U H1' . 7405 1 224 . 1 1 15 15 U H2' H 1 4.689 . . 1 . . . . 15 U H2' . 7405 1 225 . 1 1 15 15 U H3 H 1 13.646 . . 1 . . . . 15 U H3 . 7405 1 226 . 1 1 15 15 U H3' H 1 4.544 . . 1 . . . . 15 U H3' . 7405 1 227 . 1 1 15 15 U H4' H 1 4.235 . . 1 . . . . 15 U H4' . 7405 1 228 . 1 1 15 15 U H5 H 1 5.025 . . 1 . . . . 15 U H5 . 7405 1 229 . 1 1 15 15 U H5' H 1 3.884 . . 2 . . . . 15 U H5' . 7405 1 230 . 1 1 15 15 U H5'' H 1 4.136 . . 2 . . . . 15 U H5'' . 7405 1 231 . 1 1 15 15 U H6 H 1 7.702 . . 1 . . . . 15 U H6 . 7405 1 232 . 1 1 15 15 U C1' C 13 87.48 . . 1 . . . . 15 U C1' . 7405 1 233 . 1 1 15 15 U C2' C 13 71.319 . . 1 . . . . 15 U C2' . 7405 1 234 . 1 1 15 15 U C3' C 13 75.60 . . 1 . . . . 15 U C3' . 7405 1 235 . 1 1 15 15 U C4' C 13 82.05 . . 1 . . . . 15 U C4' . 7405 1 236 . 1 1 15 15 U C5 C 13 100.70 . . 1 . . . . 15 U C5 . 7405 1 237 . 1 1 15 15 U C5' C 13 64.83 . . 1 . . . . 15 U C5' . 7405 1 238 . 1 1 15 15 U C6 C 13 138.78 . . 1 . . . . 15 U C6 . 7405 1 239 . 1 1 15 15 U N3 N 15 161.61 . . 1 . . . . 15 U N3 . 7405 1 240 . 1 1 16 16 G H1 H 1 12.630 . . 1 . . . . 16 G H1 . 7405 1 241 . 1 1 16 16 G H1' H 1 5.695 . . 1 . . . . 16 G H1' . 7405 1 242 . 1 1 16 16 G H2' H 1 4.382 . . 1 . . . . 16 G H2' . 7405 1 243 . 1 1 16 16 G H3' H 1 4.491 . . 1 . . . . 16 G H3' . 7405 1 244 . 1 1 16 16 G H4' H 1 4.392 . . 1 . . . . 16 G H4' . 7405 1 245 . 1 1 16 16 G H5' H 1 4.049 . . 2 . . . . 16 G H5' . 7405 1 246 . 1 1 16 16 G H5'' H 1 4.425 . . 2 . . . . 16 G H5'' . 7405 1 247 . 1 1 16 16 G H8 H 1 7.604 . . 1 . . . . 16 G H8 . 7405 1 248 . 1 1 16 16 G C1' C 13 90.19 . . 1 . . . . 16 G C1' . 7405 1 249 . 1 1 16 16 G C2' C 13 72.91 . . 1 . . . . 16 G C2' . 7405 1 250 . 1 1 16 16 G C3' C 13 70.26 . . 1 . . . . 16 G C3' . 7405 1 251 . 1 1 16 16 G C4' C 13 79.30 . . 1 . . . . 16 G C4' . 7405 1 252 . 1 1 16 16 G C5' C 13 62.91 . . 1 . . . . 16 G C5' . 7405 1 253 . 1 1 16 16 G C8 C 13 133.58 . . 1 . . . . 16 G C8 . 7405 1 254 . 1 1 16 16 G N1 N 15 147.38 . . 1 . . . . 16 G N1 . 7405 1 255 . 1 1 17 17 C H1' H 1 5.376 . . 1 . . . . 17 C H1' . 7405 1 256 . 1 1 17 17 C H2' H 1 4.145 . . 1 . . . . 17 C H2' . 7405 1 257 . 1 1 17 17 C H3' H 1 4.334 . . 1 . . . . 17 C H3' . 7405 1 258 . 1 1 17 17 C H4' H 1 4.295 . . 1 . . . . 17 C H4' . 7405 1 259 . 1 1 17 17 C H5 H 1 5.145 . . 1 . . . . 17 C H5 . 7405 1 260 . 1 1 17 17 C H5' H 1 3.968 . . 2 . . . . 17 C H5' . 7405 1 261 . 1 1 17 17 C H5'' H 1 4.454 . . 2 . . . . 17 C H5'' . 7405 1 262 . 1 1 17 17 C H6 H 1 7.577 . . 1 . . . . 17 C H6 . 7405 1 263 . 1 1 17 17 C H41 H 1 6.942 . . 2 . . . . 17 C H41 . 7405 1 264 . 1 1 17 17 C H42 H 1 8.566 . . 2 . . . . 17 C H42 . 7405 1 265 . 1 1 17 17 C C1' C 13 91.56 . . 1 . . . . 17 C C1' . 7405 1 266 . 1 1 17 17 C C2' C 13 73.11 . . 1 . . . . 17 C C2' . 7405 1 267 . 1 1 17 17 C C3' C 13 69.43 . . 1 . . . . 17 C C3' . 7405 1 268 . 1 1 17 17 C C4' C 13 79.36 . . 1 . . . . 17 C C4' . 7405 1 269 . 1 1 17 17 C C5 C 13 94.58 . . 1 . . . . 17 C C5 . 7405 1 270 . 1 1 17 17 C C5' C 13 62.02 . . 1 . . . . 17 C C5' . 7405 1 271 . 1 1 17 17 C N4 N 15 98.99 . . 1 . . . . 17 C N4 . 7405 1 272 . 1 1 18 18 C H1' H 1 5.660 . . 1 . . . . 18 C H1' . 7405 1 273 . 1 1 18 18 C H2' H 1 3.903 . . 1 . . . . 18 C H2' . 7405 1 274 . 1 1 18 18 C H3' H 1 4.084 . . 1 . . . . 18 C H3' . 7405 1 275 . 1 1 18 18 C H4' H 1 4.069 . . 1 . . . . 18 C H4' . 7405 1 276 . 1 1 18 18 C H5 H 1 5.429 . . 1 . . . . 18 C H5 . 7405 1 277 . 1 1 18 18 C H5' H 1 3.933 . . 2 . . . . 18 C H5' . 7405 1 278 . 1 1 18 18 C H5'' H 1 4.390 . . 2 . . . . 18 C H5'' . 7405 1 279 . 1 1 18 18 C H6 H 1 7.570 . . 1 . . . . 18 C H6 . 7405 1 280 . 1 1 18 18 C H41 H 1 7.023 . . 2 . . . . 18 C H41 . 7405 1 281 . 1 1 18 18 C H42 H 1 8.428 . . 2 . . . . 18 C H42 . 7405 1 282 . 1 1 18 18 C C1' C 13 90.54 . . 1 . . . . 18 C C1' . 7405 1 283 . 1 1 18 18 C C2' C 13 75.09 . . 1 . . . . 18 C C2' . 7405 1 284 . 1 1 18 18 C C3' C 13 67.08 . . 1 . . . . 18 C C3' . 7405 1 285 . 1 1 18 18 C C4' C 13 80.74 . . 1 . . . . 18 C C4' . 7405 1 286 . 1 1 18 18 C C5 C 13 95.79 . . 1 . . . . 18 C C5 . 7405 1 287 . 1 1 18 18 C C5' C 13 62.56 . . 1 . . . . 18 C C5' . 7405 1 288 . 1 1 18 18 C C6 C 13 143.65 . . 1 . . . . 18 C C6 . 7405 1 289 . 1 1 18 18 C N4 N 15 96.97 . . 1 . . . . 18 C N4 . 7405 1 stop_ save_