################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52937 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Chemical shift list m6A-RNA 298K' _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 $chem_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-13C HMQC' . . . 52937 1 2 '2D 1H-1H TOCSY' . . . 52937 1 3 '2D 1H-1H NOESY' . . . 52937 1 4 '2D 1H-13C HSQC' . . . 52937 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 52937 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 12.801 0.000 . 1 . . . . . -1 G H1 . 52937 1 2 . 1 . 1 1 1 G H1' H 1 5.768 0.001 . 1 . . . . . -1 G H1' . 52937 1 3 . 1 . 1 1 1 G H2' H 1 4.900 0.000 . 1 . . . . . -1 G H2' . 52937 1 4 . 1 . 1 1 1 G H3' H 1 4.580 0.000 . 1 . . . . . -1 G H3' . 52937 1 5 . 1 . 1 1 1 G H5' H 1 3.925 0.000 . 1 . . . . . -1 G H5' . 52937 1 6 . 1 . 1 1 1 G H5'' H 1 4.380 0.000 . 1 . . . . . -1 G H5'' . 52937 1 7 . 1 . 1 1 1 G H8 H 1 8.033 0.000 . 1 . . . . . -1 G H8 . 52937 1 8 . 1 . 1 1 1 G C1' C 13 92.719 0.000 . 1 . . . . . -1 G C1' . 52937 1 9 . 1 . 1 1 1 G C8 C 13 138.804 0.000 . 1 . . . . . -1 G C8 . 52937 1 10 . 1 . 1 2 2 G H1 H 1 13.316 0.000 . 1 . . . . . 47 G H1 . 52937 1 11 . 1 . 1 2 2 G H1' H 1 5.888 0.002 . 1 . . . . . 47 G H1' . 52937 1 12 . 1 . 1 2 2 G H2' H 1 4.545 0.000 . 1 . . . . . 47 G H2' . 52937 1 13 . 1 . 1 2 2 G H3' H 1 4.598 0.000 . 1 . . . . . 47 G H3' . 52937 1 14 . 1 . 1 2 2 G H5' H 1 4.176 0.000 . 1 . . . . . 47 G H5' . 52937 1 15 . 1 . 1 2 2 G H8 H 1 7.542 0.000 . 1 . . . . . 47 G H8 . 52937 1 16 . 1 . 1 2 2 G C1' C 13 92.971 0.000 . 1 . . . . . 47 G C1' . 52937 1 17 . 1 . 1 2 2 G C8 C 13 136.490 0.000 . 1 . . . . . 47 G C8 . 52937 1 18 . 1 . 1 3 3 C H1' H 1 5.538 0.000 . 1 . . . . . 48 C H1' . 52937 1 19 . 1 . 1 3 3 C H5 H 1 5.238 0.001 . 1 . . . . . 48 C H5 . 52937 1 20 . 1 . 1 3 3 C H6 H 1 7.568 0.000 . 1 . . . . . 48 C H6 . 52937 1 21 . 1 . 1 3 3 C H41 H 1 8.364 0.000 . 1 . . . . . 48 C H41 . 52937 1 22 . 1 . 1 3 3 C H42 H 1 6.710 0.001 . 1 . . . . . 48 C H42 . 52937 1 23 . 1 . 1 3 3 C C1' C 13 93.768 0.000 . 1 . . . . . 48 C C1' . 52937 1 24 . 1 . 1 3 3 C C5 C 13 97.732 0.000 . 1 . . . . . 48 C C5 . 52937 1 25 . 1 . 1 3 3 C C6 C 13 140.438 0.000 . 1 . . . . . 48 C C6 . 52937 1 26 . 1 . 1 4 4 G H1 H 1 12.066 0.000 . 1 . . . . . 49 G H1 . 52937 1 27 . 1 . 1 4 4 G H1' H 1 5.691 0.001 . 1 . . . . . 49 G H1' . 52937 1 28 . 1 . 1 4 4 G H2' H 1 4.560 0.035 . 1 . . . . . 49 G H2' . 52937 1 29 . 1 . 1 4 4 G H3' H 1 4.489 0.000 . 1 . . . . . 49 G H3' . 52937 1 30 . 1 . 1 4 4 G H4' H 1 4.434 0.000 . 1 . . . . . 49 G H4' . 52937 1 31 . 1 . 1 4 4 G H5' H 1 4.120 0.000 . 1 . . . . . 49 G H5' . 52937 1 32 . 1 . 1 4 4 G H8 H 1 7.480 0.001 . 1 . . . . . 49 G H8 . 52937 1 33 . 1 . 1 4 4 G C1' C 13 93.149 0.000 . 1 . . . . . 49 G C1' . 52937 1 34 . 1 . 1 4 4 G C8 C 13 136.225 0.000 . 1 . . . . . 49 G C8 . 52937 1 35 . 1 . 1 5 5 A H1' H 1 5.931 0.000 . 1 . . . . . 50 A H1' . 52937 1 36 . 1 . 1 5 5 A H2 H 1 7.696 0.000 . 1 . . . . . 50 A H2 . 52937 1 37 . 1 . 1 5 5 A H2' H 1 4.535 0.000 . 1 . . . . . 50 A H2' . 52937 1 38 . 1 . 1 5 5 A H3' H 1 4.595 0.001 . 1 . . . . . 50 A H3' . 52937 1 39 . 1 . 1 5 5 A H8 H 1 7.827 0.000 . 1 . . . . . 50 A H8 . 52937 1 40 . 1 . 1 5 5 A C1' C 13 92.922 0.000 . 1 . . . . . 50 A C1' . 52937 1 41 . 1 . 1 5 5 A C2 C 13 153.830 0.000 . 1 . . . . . 50 A C2 . 52937 1 42 . 1 . 1 5 5 A C8 C 13 139.272 0.000 . 1 . . . . . 50 A C8 . 52937 1 43 . 1 . 1 6 6 C H1' H 1 5.355 0.001 . 1 . . . . . 51 C H1' . 52937 1 44 . 1 . 1 6 6 C H2' H 1 4.411 0.000 . 1 . . . . . 51 C H2' . 52937 1 45 . 1 . 1 6 6 C H3' H 1 4.460 0.000 . 1 . . . . . 51 C H3' . 52937 1 46 . 1 . 1 6 6 C H4' H 1 4.371 0.000 . 1 . . . . . 51 C H4' . 52937 1 47 . 1 . 1 6 6 C H5 H 1 5.146 0.001 . 1 . . . . . 51 C H5 . 52937 1 48 . 1 . 1 6 6 C H6 H 1 7.291 0.001 . 1 . . . . . 51 C H6 . 52937 1 49 . 1 . 1 6 6 C H41 H 1 8.173 0.001 . 1 . . . . . 51 C H41 . 52937 1 50 . 1 . 1 6 6 C H42 H 1 6.769 0.000 . 1 . . . . . 51 C H42 . 52937 1 51 . 1 . 1 6 6 C C1' C 13 93.488 0.000 . 1 . . . . . 51 C C1' . 52937 1 52 . 1 . 1 6 6 C C5 C 13 97.742 0.000 . 1 . . . . . 51 C C5 . 52937 1 53 . 1 . 1 6 6 C C5' C 13 4.026 0.000 . 1 . . . . . 51 C C5' . 52937 1 54 . 1 . 1 6 6 C C6 C 13 140.031 0.000 . 1 . . . . . 51 C C6 . 52937 1 55 . 1 . 1 7 7 G H1 H 1 12.173 0.000 . 1 . . . . . 52 G H1 . 52937 1 56 . 1 . 1 7 7 G H1' H 1 5.721 0.001 . 1 . . . . . 52 G H1' . 52937 1 57 . 1 . 1 7 7 G H2' H 1 4.654 0.000 . 1 . . . . . 52 G H2' . 52937 1 58 . 1 . 1 7 7 G H3' H 1 4.440 0.000 . 1 . . . . . 52 G H3' . 52937 1 59 . 1 . 1 7 7 G H4' H 1 4.502 0.000 . 1 . . . . . 52 G H4' . 52937 1 60 . 1 . 1 7 7 G H5' H 1 4.078 0.000 . 1 . . . . . 52 G H5' . 52937 1 61 . 1 . 1 7 7 G H8 H 1 7.455 0.000 . 1 . . . . . 52 G H8 . 52937 1 62 . 1 . 1 7 7 G C1' C 13 92.779 0.000 . 1 . . . . . 52 G C1' . 52937 1 63 . 1 . 1 7 7 G C8 C 13 136.173 0.000 . 1 . . . . . 52 G C8 . 52937 1 64 . 1 . 1 8 8 G H1 H 1 12.283 0.000 . 1 . . . . . 53 G H1 . 52937 1 65 . 1 . 1 8 8 G H1' H 1 5.696 0.001 . 1 . . . . . 53 G H1' . 52937 1 66 . 1 . 1 8 8 G H2' H 1 4.630 0.002 . 1 . . . . . 53 G H2' . 52937 1 67 . 1 . 1 8 8 G H3' H 1 4.450 0.000 . 1 . . . . . 53 G H3' . 52937 1 68 . 1 . 1 8 8 G H4' H 1 4.500 0.000 . 1 . . . . . 53 G H4' . 52937 1 69 . 1 . 1 8 8 G H5' H 1 4.062 0.000 . 1 . . . . . 53 G H5' . 52937 1 70 . 1 . 1 8 8 G H8 H 1 7.126 0.001 . 1 . . . . . 53 G H8 . 52937 1 71 . 1 . 1 8 8 G C1' C 13 93.025 0.000 . 1 . . . . . 53 G C1' . 52937 1 72 . 1 . 1 8 8 G C8 C 13 136.102 0.000 . 1 . . . . . 53 G C8 . 52937 1 73 . 1 . 1 9 9 A H1' H 1 5.944 0.000 . 1 . . . . . 54 A H1' . 52937 1 74 . 1 . 1 9 9 A H2 H 1 7.828 0.000 . 1 . . . . . 54 A H2 . 52937 1 75 . 1 . 1 9 9 A H2' H 1 4.665 0.000 . 1 . . . . . 54 A H2' . 52937 1 76 . 1 . 1 9 9 A H8 H 1 7.574 0.002 . 1 . . . . . 54 A H8 . 52937 1 77 . 1 . 1 9 9 A C1' C 13 93.352 0.000 . 1 . . . . . 54 A C1' . 52937 1 78 . 1 . 1 9 9 A C2 C 13 154.105 0.000 . 1 . . . . . 54 A C2 . 52937 1 79 . 1 . 1 9 9 A C8 C 13 139.131 0.000 . 1 . . . . . 54 A C8 . 52937 1 80 . 1 . 1 10 10 C H1' H 1 5.375 0.001 . 1 . . . . . 55 C H1' . 52937 1 81 . 1 . 1 10 10 C H2' H 1 4.373 0.000 . 1 . . . . . 55 C H2' . 52937 1 82 . 1 . 1 10 10 C H5 H 1 5.427 0.002 . 1 . . . . . 55 C H5 . 52937 1 83 . 1 . 1 10 10 C H6 H 1 7.642 0.108 . 1 . . . . . 55 C H6 . 52937 1 84 . 1 . 1 10 10 C C1' C 13 93.146 0.000 . 1 . . . . . 55 C C1' . 52937 1 85 . 1 . 1 10 10 C C5 C 13 97.698 0.000 . 1 . . . . . 55 C C5 . 52937 1 86 . 1 . 1 10 10 C C6 C 13 140.871 0.000 . 1 . . . . . 55 C C6 . 52937 1 87 . 1 . 1 11 11 G H1' H 1 5.634 0.002 . 1 . . . . . 56 G H1' . 52937 1 88 . 1 . 1 11 11 G H2' H 1 4.628 0.000 . 1 . . . . . 56 G H2' . 52937 1 89 . 1 . 1 11 11 G H3' H 1 4.328 0.000 . 1 . . . . . 56 G H3' . 52937 1 90 . 1 . 1 11 11 G H5' H 1 4.097 0.000 . 1 . . . . . 56 G H5' . 52937 1 91 . 1 . 1 11 11 G H8 H 1 7.619 0.001 . 1 . . . . . 56 G H8 . 52937 1 92 . 1 . 1 11 11 G C1' C 13 93.055 0.000 . 1 . . . . . 56 G C1' . 52937 1 93 . 1 . 1 11 11 G C8 C 13 137.831 0.000 . 1 . . . . . 56 G C8 . 52937 1 94 . 1 . 1 12 12 G H1' H 1 5.580 0.003 . 1 . . . . . 57 G H1' . 52937 1 95 . 1 . 1 12 12 G H2' H 1 4.587 0.001 . 1 . . . . . 57 G H2' . 52937 1 96 . 1 . 1 12 12 G H3' H 1 4.423 0.000 . 1 . . . . . 57 G H3' . 52937 1 97 . 1 . 1 12 12 G H4' H 1 4.481 0.000 . 1 . . . . . 57 G H4' . 52937 1 98 . 1 . 1 12 12 G H5' H 1 4.063 0.000 . 1 . . . . . 57 G H5' . 52937 1 99 . 1 . 1 12 12 G H8 H 1 7.104 0.001 . 1 . . . . . 57 G H8 . 52937 1 100 . 1 . 1 12 12 G C1' C 13 93.084 0.000 . 1 . . . . . 57 G C1' . 52937 1 101 . 1 . 1 12 12 G C8 C 13 136.307 0.000 . 1 . . . . . 57 G C8 . 52937 1 102 . 1 . 1 13 13 X H1' H 1 5.825 0.001 . 1 . . . . . 58 A H1' . 52937 1 103 . 1 . 1 13 13 X H2 H 1 7.716 0.000 . 1 . . . . . 58 A H2 . 52937 1 104 . 1 . 1 13 13 X H2' H 1 4.691 0.000 . 1 . . . . . 58 A H2' . 52937 1 105 . 1 . 1 13 13 X H8 H 1 7.599 0.002 . 1 . . . . . 58 A H8 . 52937 1 106 . 1 . 1 13 13 X C1' C 13 93.177 0.000 . 1 . . . . . 58 A C1' . 52937 1 107 . 1 . 1 13 13 X C2 C 13 154.663 0.000 . 1 . . . . . 58 A C2 . 52937 1 108 . 1 . 1 13 13 X C8 C 13 138.523 0.000 . 1 . . . . . 58 A C8 . 52937 1 109 . 1 . 1 14 14 A H1' H 1 5.426 0.002 . 1 . . . . . 59 A H1' . 52937 1 110 . 1 . 1 14 14 A H2 H 1 7.739 0.001 . 1 . . . . . 59 A H2 . 52937 1 111 . 1 . 1 14 14 A H2' H 1 4.365 0.000 . 1 . . . . . 59 A H2' . 52937 1 112 . 1 . 1 14 14 A H8 H 1 7.696 0.001 . 1 . . . . . 59 A H8 . 52937 1 113 . 1 . 1 14 14 A C1' C 13 92.461 0.000 . 1 . . . . . 59 A C1' . 52937 1 114 . 1 . 1 14 14 A C2 C 13 154.354 0.000 . 1 . . . . . 59 A C2 . 52937 1 115 . 1 . 1 14 14 A C8 C 13 139.369 0.000 . 1 . . . . . 59 A C8 . 52937 1 116 . 1 . 1 15 15 A H1' H 1 5.599 0.002 . 1 . . . . . 60 A H1' . 52937 1 117 . 1 . 1 15 15 A H2 H 1 7.960 0.000 . 1 . . . . . 60 A H2 . 52937 1 118 . 1 . 1 15 15 A H2' H 1 4.394 0.000 . 1 . . . . . 60 A H2' . 52937 1 119 . 1 . 1 15 15 A H3' H 1 4.608 0.000 . 1 . . . . . 60 A H3' . 52937 1 120 . 1 . 1 15 15 A H4' H 1 4.365 0.000 . 1 . . . . . 60 A H4' . 52937 1 121 . 1 . 1 15 15 A H5' H 1 4.034 0.000 . 1 . . . . . 60 A H5' . 52937 1 122 . 1 . 1 15 15 A H5'' H 1 4.304 0.000 . 1 . . . . . 60 A H5'' . 52937 1 123 . 1 . 1 15 15 A H8 H 1 7.896 0.000 . 1 . . . . . 60 A H8 . 52937 1 124 . 1 . 1 15 15 A C1' C 13 91.018 0.000 . 1 . . . . . 60 A C1' . 52937 1 125 . 1 . 1 15 15 A C2 C 13 155.036 0.000 . 1 . . . . . 60 A C2 . 52937 1 126 . 1 . 1 15 15 A C8 C 13 140.499 0.000 . 1 . . . . . 60 A C8 . 52937 1 127 . 1 . 1 16 16 G H1' H 1 5.659 0.000 . 1 . . . . . 61 G H1' . 52937 1 128 . 1 . 1 16 16 G H2' H 1 4.751 0.000 . 1 . . . . . 61 G H2' . 52937 1 129 . 1 . 1 16 16 G H5' H 1 4.048 0.000 . 1 . . . . . 61 G H5' . 52937 1 130 . 1 . 1 16 16 G H8 H 1 7.790 0.001 . 1 . . . . . 61 G H8 . 52937 1 131 . 1 . 1 16 16 G C1' C 13 90.355 0.000 . 1 . . . . . 61 G C1' . 52937 1 132 . 1 . 1 16 16 G C8 C 13 140.275 0.000 . 1 . . . . . 61 G C8 . 52937 1 133 . 1 . 1 17 17 A H1' H 1 5.977 0.001 . 1 . . . . . 62 A H1' . 52937 1 134 . 1 . 1 17 17 A H2 H 1 8.027 0.000 . 1 . . . . . 62 A H2 . 52937 1 135 . 1 . 1 17 17 A H2' H 1 4.804 0.000 . 1 . . . . . 62 A H2' . 52937 1 136 . 1 . 1 17 17 A H3' H 1 4.702 0.000 . 1 . . . . . 62 A H3' . 52937 1 137 . 1 . 1 17 17 A H4' H 1 4.542 0.000 . 1 . . . . . 62 A H4' . 52937 1 138 . 1 . 1 17 17 A H5' H 1 4.205 0.000 . 1 . . . . . 62 A H5' . 52937 1 139 . 1 . 1 17 17 A H5'' H 1 4.371 0.000 . 1 . . . . . 62 A H5'' . 52937 1 140 . 1 . 1 17 17 A H8 H 1 8.291 0.000 . 1 . . . . . 62 A H8 . 52937 1 141 . 1 . 1 17 17 A C1' C 13 91.573 0.000 . 1 . . . . . 62 A C1' . 52937 1 142 . 1 . 1 17 17 A C2 C 13 154.969 0.000 . 1 . . . . . 62 A C2 . 52937 1 143 . 1 . 1 17 17 A C8 C 13 141.523 0.000 . 1 . . . . . 62 A C8 . 52937 1 144 . 1 . 1 18 18 C H1' H 1 5.591 0.005 . 1 . . . . . 63 C H1' . 52937 1 145 . 1 . 1 18 18 C H5 H 1 5.592 0.002 . 1 . . . . . 63 C H5 . 52937 1 146 . 1 . 1 18 18 C H6 H 1 7.603 0.001 . 1 . . . . . 63 C H6 . 52937 1 147 . 1 . 1 18 18 C C1' C 13 93.133 0.000 . 1 . . . . . 63 C C1' . 52937 1 148 . 1 . 1 18 18 C C5 C 13 98.010 0.000 . 1 . . . . . 63 C C5 . 52937 1 149 . 1 . 1 18 18 C C6 C 13 141.964 0.000 . 1 . . . . . 63 C C6 . 52937 1 150 . 1 . 1 19 19 C H1' H 1 5.771 0.000 . 1 . . . . . 64 C H1' . 52937 1 151 . 1 . 1 19 19 C H5 H 1 5.866 0.001 . 1 . . . . . 64 C H5 . 52937 1 152 . 1 . 1 19 19 C H6 H 1 7.782 0.002 . 1 . . . . . 64 C H6 . 52937 1 153 . 1 . 1 19 19 C C1' C 13 93.161 0.000 . 1 . . . . . 64 C C1' . 52937 1 154 . 1 . 1 19 19 C C5 C 13 98.825 0.000 . 1 . . . . . 64 C C5 . 52937 1 155 . 1 . 1 19 19 C C6 C 13 142.194 0.000 . 1 . . . . . 64 C C6 . 52937 1 156 . 1 . 1 20 20 C H5 H 1 5.912 0.002 . 1 . . . . . 65 C H5 . 52937 1 157 . 1 . 1 20 20 C H6 H 1 7.824 0.002 . 1 . . . . . 65 C H6 . 52937 1 158 . 1 . 1 20 20 C C5 C 13 98.877 0.000 . 1 . . . . . 65 C C5 . 52937 1 159 . 1 . 1 20 20 C C6 C 13 142.333 0.000 . 1 . . . . . 65 C C6 . 52937 1 160 . 1 . 1 21 21 C H5 H 1 5.755 0.001 . 1 . . . . . 66 C H5 . 52937 1 161 . 1 . 1 21 21 C H6 H 1 7.776 0.000 . 1 . . . . . 66 C H6 . 52937 1 162 . 1 . 1 21 21 C C5 C 13 98.380 0.000 . 1 . . . . . 66 C C5 . 52937 1 163 . 1 . 1 21 21 C C6 C 13 142.011 0.000 . 1 . . . . . 66 C C6 . 52937 1 164 . 1 . 1 22 22 U H1' H 1 5.545 0.020 . 1 . . . . . 67 U H1' . 52937 1 165 . 1 . 1 22 22 U H5 H 1 5.719 0.002 . 1 . . . . . 67 U H5 . 52937 1 166 . 1 . 1 22 22 U H6 H 1 7.808 0.002 . 1 . . . . . 67 U H6 . 52937 1 167 . 1 . 1 22 22 U C1' C 13 93.765 0.000 . 1 . . . . . 67 U C1' . 52937 1 168 . 1 . 1 22 22 U C5 C 13 104.925 0.000 . 1 . . . . . 67 U C5 . 52937 1 169 . 1 . 1 22 22 U C6 C 13 141.724 0.000 . 1 . . . . . 67 U C6 . 52937 1 170 . 1 . 1 23 23 A H1' H 1 5.978 0.003 . 1 . . . . . 68 A H1' . 52937 1 171 . 1 . 1 23 23 A H2 H 1 8.056 0.001 . 1 . . . . . 68 A H2 . 52937 1 172 . 1 . 1 23 23 A H2' H 1 4.723 0.000 . 1 . . . . . 68 A H2' . 52937 1 173 . 1 . 1 23 23 A H3' H 1 4.481 0.000 . 1 . . . . . 68 A H3' . 52937 1 174 . 1 . 1 23 23 A H4' H 1 4.540 0.000 . 1 . . . . . 68 A H4' . 52937 1 175 . 1 . 1 23 23 A H5' H 1 4.180 0.000 . 1 . . . . . 68 A H5' . 52937 1 176 . 1 . 1 23 23 A H5'' H 1 4.343 0.000 . 1 . . . . . 68 A H5'' . 52937 1 177 . 1 . 1 23 23 A H8 H 1 8.331 0.000 . 1 . . . . . 68 A H8 . 52937 1 178 . 1 . 1 23 23 A C1' C 13 93.347 0.000 . 1 . . . . . 68 A C1' . 52937 1 179 . 1 . 1 23 23 A C2 C 13 149.174 0.000 . 1 . . . . . 68 A C2 . 52937 1 180 . 1 . 1 23 23 A C8 C 13 142.198 0.000 . 1 . . . . . 68 A C8 . 52937 1 181 . 1 . 1 24 24 U H1' H 1 5.341 0.007 . 1 . . . . . 69 U H1' . 52937 1 182 . 1 . 1 24 24 U H2' H 1 4.372 0.001 . 1 . . . . . 69 U H2' . 52937 1 183 . 1 . 1 24 24 U H5 H 1 5.339 0.001 . 1 . . . . . 69 U H5 . 52937 1 184 . 1 . 1 24 24 U H6 H 1 7.646 0.001 . 1 . . . . . 69 U H6 . 52937 1 185 . 1 . 1 24 24 U C1' C 13 93.278 0.000 . 1 . . . . . 69 U C1' . 52937 1 186 . 1 . 1 24 24 U C5 C 13 103.284 0.000 . 1 . . . . . 69 U C5 . 52937 1 187 . 1 . 1 24 24 U C6 C 13 141.473 0.000 . 1 . . . . . 69 U C6 . 52937 1 188 . 1 . 1 25 25 C H1' H 1 5.566 0.001 . 1 . . . . . 70 C H1' . 52937 1 189 . 1 . 1 25 25 C H2' H 1 4.322 0.000 . 1 . . . . . 70 C H2' . 52937 1 190 . 1 . 1 25 25 C H5 H 1 5.599 0.001 . 1 . . . . . 70 C H5 . 52937 1 191 . 1 . 1 25 25 C H6 H 1 7.845 0.001 . 1 . . . . . 70 C H6 . 52937 1 192 . 1 . 1 25 25 C H41 H 1 8.326 0.000 . 1 . . . . . 70 C H41 . 52937 1 193 . 1 . 1 25 25 C H42 H 1 6.936 0.002 . 1 . . . . . 70 C H42 . 52937 1 194 . 1 . 1 25 25 C C1' C 13 94.126 0.000 . 1 . . . . . 70 C C1' . 52937 1 195 . 1 . 1 25 25 C C5 C 13 97.531 0.000 . 1 . . . . . 70 C C5 . 52937 1 196 . 1 . 1 25 25 C C6 C 13 141.797 0.000 . 1 . . . . . 70 C C6 . 52937 1 197 . 1 . 1 26 26 C H1' H 1 5.447 0.001 . 1 . . . . . 71 C H1' . 52937 1 198 . 1 . 1 26 26 C H2' H 1 4.573 0.001 . 1 . . . . . 71 C H2' . 52937 1 199 . 1 . 1 26 26 C H5 H 1 5.546 0.168 . 1 . . . . . 71 C H5 . 52937 1 200 . 1 . 1 26 26 C H5' H 1 4.088 0.000 . 1 . . . . . 71 C H5' . 52937 1 201 . 1 . 1 26 26 C H6 H 1 7.693 0.001 . 1 . . . . . 71 C H6 . 52937 1 202 . 1 . 1 26 26 C H41 H 1 8.233 0.000 . 1 . . . . . 71 C H41 . 52937 1 203 . 1 . 1 26 26 C H42 H 1 6.690 0.000 . 1 . . . . . 71 C H42 . 52937 1 204 . 1 . 1 26 26 C C1' C 13 93.892 0.000 . 1 . . . . . 71 C C1' . 52937 1 205 . 1 . 1 26 26 C C5 C 13 98.064 0.000 . 1 . . . . . 71 C C5 . 52937 1 206 . 1 . 1 26 26 C C6 C 13 141.091 0.000 . 1 . . . . . 71 C C6 . 52937 1 207 . 1 . 1 27 27 G H1' H 1 5.687 0.004 . 1 . . . . . 72 G H1' . 52937 1 208 . 1 . 1 27 27 G H2' H 1 4.508 0.002 . 1 . . . . . 72 G H2' . 52937 1 209 . 1 . 1 27 27 G H3' H 1 4.486 0.000 . 1 . . . . . 72 G H3' . 52937 1 210 . 1 . 1 27 27 G H5' H 1 4.094 0.000 . 1 . . . . . 72 G H5' . 52937 1 211 . 1 . 1 27 27 G H8 H 1 7.553 0.000 . 1 . . . . . 72 G H8 . 52937 1 212 . 1 . 1 27 27 G C1' C 13 93.312 0.000 . 1 . . . . . 72 G C1' . 52937 1 213 . 1 . 1 27 27 G C8 C 13 136.495 0.000 . 1 . . . . . 72 G C8 . 52937 1 214 . 1 . 1 28 28 U H1' H 1 5.538 0.001 . 1 . . . . . 73 U H1' . 52937 1 215 . 1 . 1 28 28 U H2' H 1 4.477 0.001 . 1 . . . . . 73 U H2' . 52937 1 216 . 1 . 1 28 28 U H3 H 1 14.324 0.001 . 1 . . . . . 73 U H3 . 52937 1 217 . 1 . 1 28 28 U H5 H 1 5.033 0.001 . 1 . . . . . 73 U H5 . 52937 1 218 . 1 . 1 28 28 U H6 H 1 7.799 0.001 . 1 . . . . . 73 U H6 . 52937 1 219 . 1 . 1 28 28 U C1' C 13 93.768 0.000 . 1 . . . . . 73 U C1' . 52937 1 220 . 1 . 1 28 28 U C5 C 13 102.436 0.000 . 1 . . . . . 73 U C5 . 52937 1 221 . 1 . 1 28 28 U C6 C 13 141.934 0.000 . 1 . . . . . 73 U C6 . 52937 1 222 . 1 . 1 29 29 C H1' H 1 5.574 0.001 . 1 . . . . . 74 C H1' . 52937 1 223 . 1 . 1 29 29 C H2' H 1 4.501 0.000 . 1 . . . . . 74 C H2' . 52937 1 224 . 1 . 1 29 29 C H5 H 1 5.626 0.001 . 1 . . . . . 74 C H5 . 52937 1 225 . 1 . 1 29 29 C H6 H 1 7.833 0.001 . 1 . . . . . 74 C H6 . 52937 1 226 . 1 . 1 29 29 C H41 H 1 8.332 0.001 . 1 . . . . . 74 C H41 . 52937 1 227 . 1 . 1 29 29 C H42 H 1 6.825 0.001 . 1 . . . . . 74 C H42 . 52937 1 228 . 1 . 1 29 29 C C1' C 13 93.710 0.000 . 1 . . . . . 74 C C1' . 52937 1 229 . 1 . 1 29 29 C C5 C 13 98.121 0.000 . 1 . . . . . 74 C C5 . 52937 1 230 . 1 . 1 29 29 C C6 C 13 141.256 0.000 . 1 . . . . . 74 C C6 . 52937 1 231 . 1 . 1 30 30 G H1 H 1 12.773 0.000 . 1 . . . . . 75 G H1 . 52937 1 232 . 1 . 1 30 30 G H1' H 1 5.647 0.026 . 1 . . . . . 75 G H1' . 52937 1 233 . 1 . 1 30 30 G H2' H 1 4.534 0.000 . 1 . . . . . 75 G H2' . 52937 1 234 . 1 . 1 30 30 G H3' H 1 4.460 0.000 . 1 . . . . . 75 G H3' . 52937 1 235 . 1 . 1 30 30 G H5' H 1 4.102 0.000 . 1 . . . . . 75 G H5' . 52937 1 236 . 1 . 1 30 30 G H5'' H 1 4.501 0.000 . 1 . . . . . 75 G H5'' . 52937 1 237 . 1 . 1 30 30 G H8 H 1 7.591 0.001 . 1 . . . . . 75 G H8 . 52937 1 238 . 1 . 1 30 30 G C1' C 13 93.073 0.000 . 1 . . . . . 75 G C1' . 52937 1 239 . 1 . 1 30 30 G C8 C 13 136.191 0.000 . 1 . . . . . 75 G C8 . 52937 1 240 . 1 . 1 31 31 C H1' H 1 5.506 0.001 . 1 . . . . . 76 C H1' . 52937 1 241 . 1 . 1 31 31 C H2' H 1 4.246 0.000 . 1 . . . . . 76 C H2' . 52937 1 242 . 1 . 1 31 31 C H3' H 1 4.440 0.000 . 1 . . . . . 76 C H3' . 52937 1 243 . 1 . 1 31 31 C H5 H 1 5.201 0.001 . 1 . . . . . 76 C H5 . 52937 1 244 . 1 . 1 31 31 C H5' H 1 4.044 0.000 . 1 . . . . . 76 C H5' . 52937 1 245 . 1 . 1 31 31 C H6 H 1 7.685 0.011 . 1 . . . . . 76 C H6 . 52937 1 246 . 1 . 1 31 31 C H41 H 1 8.524 0.000 . 1 . . . . . 76 C H41 . 52937 1 247 . 1 . 1 31 31 C H42 H 1 6.830 0.000 . 1 . . . . . 76 C H42 . 52937 1 248 . 1 . 1 31 31 C C1' C 13 94.144 0.000 . 1 . . . . . 76 C C1' . 52937 1 249 . 1 . 1 31 31 C C5 C 13 97.014 0.000 . 1 . . . . . 76 C C5 . 52937 1 250 . 1 . 1 31 31 C C6 C 13 141.152 0.000 . 1 . . . . . 76 C C6 . 52937 1 251 . 1 . 1 32 32 C H1' H 1 5.736 0.001 . 1 . . . . . +1 C H1' . 52937 1 252 . 1 . 1 32 32 C H5 H 1 5.487 0.000 . 1 . . . . . +1 C H5 . 52937 1 253 . 1 . 1 32 32 C H6 H 1 7.654 0.001 . 1 . . . . . +1 C H6 . 52937 1 254 . 1 . 1 32 32 C H41 H 1 8.309 0.097 . 1 . . . . . +1 C H41 . 52937 1 255 . 1 . 1 32 32 C H42 H 1 6.854 0.085 . 1 . . . . . +1 C H42 . 52937 1 256 . 1 . 1 32 32 C C1' C 13 93.070 0.000 . 1 . . . . . +1 C C1' . 52937 1 257 . 1 . 1 32 32 C C5 C 13 98.292 0.000 . 1 . . . . . +1 C C5 . 52937 1 258 . 1 . 1 32 32 C C6 C 13 141.684 0.000 . 1 . . . . . +1 C C6 . 52937 1 stop_ save_