################################### # 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 54037 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name mir.prot _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-1H NOESY' . . . 54037 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 1 $software_1 . . 54037 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 12.446 0.002 . . . . . . . 1 G H1 . 54037 1 2 . 1 . 1 1 1 G H1' H 1 5.992 0.014 . . . . . . . 1 G H1' . 54037 1 3 . 1 . 1 1 1 G H8 H 1 8.138 0.021 . . . . . . . 1 G H8 . 54037 1 4 . 1 . 1 1 1 G C1' C 13 91.957 . . . . . . . . 1 G C1' . 54037 1 5 . 1 . 1 1 1 G C8 C 13 139.615 . . . . . . . . 1 G C8 . 54037 1 6 . 1 . 1 1 1 G N1 N 15 147.530 . . . . . . . . 1 G N1 . 54037 1 7 . 1 . 1 2 2 G H1 H 1 12.559 0.024 . . . . . . . 2 G H1 . 54037 1 8 . 1 . 1 2 2 G H8 H 1 7.663 . . . . . . . . 2 G H8 . 54037 1 9 . 1 . 1 2 2 G C8 C 13 137.690 . . . . . . . . 2 G C8 . 54037 1 10 . 1 . 1 2 2 G N1 N 15 147.490 . . . . . . . . 2 G N1 . 54037 1 11 . 1 . 1 3 3 A H8 H 1 7.977 . . . . . . . . 3 A H8 . 54037 1 12 . 1 . 1 3 3 A C8 C 13 140.767 . . . . . . . . 3 A C8 . 54037 1 13 . 1 . 1 4 4 A H1' H 1 5.830 0.007 . . . . . . . 4 A H1' . 54037 1 14 . 1 . 1 4 4 A H2 H 1 7.902 0.007 . . . . . . . 4 A H2 . 54037 1 15 . 1 . 1 4 4 A H2' H 1 4.488 0.003 . . . . . . . 4 A H2' . 54037 1 16 . 1 . 1 4 4 A H3' H 1 4.596 0.003 . . . . . . . 4 A H3' . 54037 1 17 . 1 . 1 4 4 A H4' H 1 4.414 0.002 . . . . . . . 4 A H4' . 54037 1 18 . 1 . 1 4 4 A H5' H 1 4.132 0.010 . . . . . . . 4 A H5' . 54037 1 19 . 1 . 1 4 4 A H8 H 1 7.995 0.008 . . . . . . . 4 A H8 . 54037 1 20 . 1 . 1 4 4 A H61 H 1 6.674 0.003 . . . . . . . 4 A H61 . 54037 1 21 . 1 . 1 4 4 A C1' C 13 91.302 0.065 . . . . . . . 4 A C1' . 54037 1 22 . 1 . 1 4 4 A C2 C 13 154.476 0.063 . . . . . . . 4 A C2 . 54037 1 23 . 1 . 1 4 4 A C8 C 13 140.326 0.098 . . . . . . . 4 A C8 . 54037 1 24 . 1 . 1 5 5 U H1' H 1 5.479 0.009 . . . . . . . 5 U H1' . 54037 1 25 . 1 . 1 5 5 U H2' H 1 4.542 0.014 . . . . . . . 5 U H2' . 54037 1 26 . 1 . 1 5 5 U H3' H 1 4.380 0.002 . . . . . . . 5 U H3' . 54037 1 27 . 1 . 1 5 5 U H5 H 1 5.001 0.009 . . . . . . . 5 U H5 . 54037 1 28 . 1 . 1 5 5 U H5' H 1 4.109 0.007 . . . . . . . 5 U H5' . 54037 1 29 . 1 . 1 5 5 U H6 H 1 7.564 0.008 . . . . . . . 5 U H6 . 54037 1 30 . 1 . 1 5 5 U C5 C 13 103.244 0.139 . . . . . . . 5 U C5 . 54037 1 31 . 1 . 1 5 5 U C6 C 13 142.147 0.045 . . . . . . . 5 U C6 . 54037 1 32 . 1 . 1 6 6 U H1' H 1 5.785 0.008 . . . . . . . 6 U H1' . 54037 1 33 . 1 . 1 6 6 U H2' H 1 4.792 0.006 . . . . . . . 6 U H2' . 54037 1 34 . 1 . 1 6 6 U H3 H 1 13.744 0.022 . . . . . . . 6 U H3 . 54037 1 35 . 1 . 1 6 6 U H3' H 1 4.670 0.005 . . . . . . . 6 U H3' . 54037 1 36 . 1 . 1 6 6 U H4' H 1 4.378 0.005 . . . . . . . 6 U H4' . 54037 1 37 . 1 . 1 6 6 U H5 H 1 5.486 0.007 . . . . . . . 6 U H5 . 54037 1 38 . 1 . 1 6 6 U H5' H 1 4.197 0.006 . . . . . . . 6 U H5' . 54037 1 39 . 1 . 1 6 6 U H6 H 1 7.971 0.010 . . . . . . . 6 U H6 . 54037 1 40 . 1 . 1 6 6 U C1' C 13 92.342 0.083 . . . . . . . 6 U C1' . 54037 1 41 . 1 . 1 6 6 U C5 C 13 103.566 0.117 . . . . . . . 6 U C5 . 54037 1 42 . 1 . 1 6 6 U C6 C 13 142.687 0.037 . . . . . . . 6 U C6 . 54037 1 43 . 1 . 1 6 6 U N3 N 15 162.596 . . . . . . . . 6 U N3 . 54037 1 44 . 1 . 1 7 7 C H1' H 1 5.575 0.011 . . . . . . . 7 C H1' . 54037 1 45 . 1 . 1 7 7 C H2' H 1 4.475 0.005 . . . . . . . 7 C H2' . 54037 1 46 . 1 . 1 7 7 C H3' H 1 4.214 . . . . . . . . 7 C H3' . 54037 1 47 . 1 . 1 7 7 C H4' H 1 4.077 0.003 . . . . . . . 7 C H4' . 54037 1 48 . 1 . 1 7 7 C H5 H 1 5.639 0.013 . . . . . . . 7 C H5 . 54037 1 49 . 1 . 1 7 7 C H6 H 1 7.805 0.011 . . . . . . . 7 C H6 . 54037 1 50 . 1 . 1 7 7 C H41 H 1 6.878 0.019 . . . . . . . 7 C H41 . 54037 1 51 . 1 . 1 7 7 C H42 H 1 8.209 0.011 . . . . . . . 7 C H42 . 54037 1 52 . 1 . 1 7 7 C C1' C 13 93.602 0.071 . . . . . . . 7 C C1' . 54037 1 53 . 1 . 1 7 7 C C5 C 13 98.165 0.017 . . . . . . . 7 C C5 . 54037 1 54 . 1 . 1 7 7 C C6 C 13 140.983 0.036 . . . . . . . 7 C C6 . 54037 1 55 . 1 . 1 7 7 C N3 N 15 195.173 . . . . . . . . 7 C N3 . 54037 1 56 . 1 . 1 8 8 G H1 H 1 10.485 0.008 . . . . . . . 8 G H1 . 54037 1 57 . 1 . 1 8 8 G H1' H 1 5.583 0.005 . . . . . . . 8 G H1' . 54037 1 58 . 1 . 1 8 8 G H2' H 1 4.588 0.005 . . . . . . . 8 G H2' . 54037 1 59 . 1 . 1 8 8 G H3' H 1 4.425 0.008 . . . . . . . 8 G H3' . 54037 1 60 . 1 . 1 8 8 G H4' H 1 4.307 0.002 . . . . . . . 8 G H4' . 54037 1 61 . 1 . 1 8 8 G H5' H 1 4.036 0.003 . . . . . . . 8 G H5' . 54037 1 62 . 1 . 1 8 8 G H8 H 1 7.460 0.010 . . . . . . . 8 G H8 . 54037 1 63 . 1 . 1 8 8 G H21 H 1 6.611 0.020 . . . . . . . 8 G H21 . 54037 1 64 . 1 . 1 8 8 G H22 H 1 6.890 0.003 . . . . . . . 8 G H22 . 54037 1 65 . 1 . 1 8 8 G C1' C 13 93.624 0.083 . . . . . . . 8 G C1' . 54037 1 66 . 1 . 1 8 8 G C8 C 13 136.361 0.083 . . . . . . . 8 G C8 . 54037 1 67 . 1 . 1 8 8 G N1 N 15 144.512 0.074 . . . . . . . 8 G N1 . 54037 1 68 . 1 . 1 9 9 C H1' H 1 5.584 0.007 . . . . . . . 9 C H1' . 54037 1 69 . 1 . 1 9 9 C H2' H 1 4.477 0.006 . . . . . . . 9 C H2' . 54037 1 70 . 1 . 1 9 9 C H3' H 1 4.324 0.006 . . . . . . . 9 C H3' . 54037 1 71 . 1 . 1 9 9 C H5 H 1 5.252 0.008 . . . . . . . 9 C H5 . 54037 1 72 . 1 . 1 9 9 C H6 H 1 7.503 0.007 . . . . . . . 9 C H6 . 54037 1 73 . 1 . 1 9 9 C H41 H 1 6.974 0.018 . . . . . . . 9 C H41 . 54037 1 74 . 1 . 1 9 9 C H42 H 1 8.299 0.016 . . . . . . . 9 C H42 . 54037 1 75 . 1 . 1 9 9 C C5 C 13 97.136 0.028 . . . . . . . 9 C C5 . 54037 1 76 . 1 . 1 9 9 C C6 C 13 140.749 0.093 . . . . . . . 9 C C6 . 54037 1 77 . 1 . 1 9 9 C N3 N 15 195.925 . . . . . . . . 9 C N3 . 54037 1 78 . 1 . 1 10 10 U H2' H 1 4.415 0.003 . . . . . . . 10 U H2' . 54037 1 79 . 1 . 1 10 10 U H3' H 1 4.225 0.006 . . . . . . . 10 U H3' . 54037 1 80 . 1 . 1 10 10 U H5 H 1 5.510 0.007 . . . . . . . 10 U H5 . 54037 1 81 . 1 . 1 10 10 U H5' H 1 4.022 0.012 . . . . . . . 10 U H5' . 54037 1 82 . 1 . 1 10 10 U H6 H 1 7.687 0.006 . . . . . . . 10 U H6 . 54037 1 83 . 1 . 1 10 10 U C5 C 13 104.324 0.090 . . . . . . . 10 U C5 . 54037 1 84 . 1 . 1 10 10 U C6 C 13 141.421 0.032 . . . . . . . 10 U C6 . 54037 1 85 . 1 . 1 11 11 U H5 H 1 5.678 0.014 . . . . . . . 11 U H5 . 54037 1 86 . 1 . 1 11 11 U H6 H 1 7.817 0.012 . . . . . . . 11 U H6 . 54037 1 87 . 1 . 1 11 11 U C5 C 13 104.509 0.082 . . . . . . . 11 U C5 . 54037 1 88 . 1 . 1 11 11 U C6 C 13 142.413 0.123 . . . . . . . 11 U C6 . 54037 1 89 . 1 . 1 12 12 U H1' H 1 5.422 0.157 . . . . . . . 12 U H1' . 54037 1 90 . 1 . 1 12 12 U H2' H 1 4.554 0.003 . . . . . . . 12 U H2' . 54037 1 91 . 1 . 1 12 12 U H3' H 1 4.397 0.009 . . . . . . . 12 U H3' . 54037 1 92 . 1 . 1 12 12 U H5 H 1 5.840 0.005 . . . . . . . 12 U H5 . 54037 1 93 . 1 . 1 12 12 U H6 H 1 7.774 0.006 . . . . . . . 12 U H6 . 54037 1 94 . 1 . 1 12 12 U C1' C 13 93.636 . . . . . . . . 12 U C1' . 54037 1 95 . 1 . 1 12 12 U C5 C 13 105.316 0.051 . . . . . . . 12 U C5 . 54037 1 96 . 1 . 1 12 12 U C6 C 13 143.708 0.073 . . . . . . . 12 U C6 . 54037 1 97 . 1 . 1 13 13 A H1' H 1 5.896 0.007 . . . . . . . 13 A H1' . 54037 1 98 . 1 . 1 13 13 A H2 H 1 7.989 0.015 . . . . . . . 13 A H2 . 54037 1 99 . 1 . 1 13 13 A H2' H 1 4.482 0.007 . . . . . . . 13 A H2' . 54037 1 100 . 1 . 1 13 13 A H3' H 1 4.708 0.005 . . . . . . . 13 A H3' . 54037 1 101 . 1 . 1 13 13 A H4' H 1 4.167 . . . . . . . . 13 A H4' . 54037 1 102 . 1 . 1 13 13 A H5' H 1 4.042 0.005 . . . . . . . 13 A H5' . 54037 1 103 . 1 . 1 13 13 A H5'' H 1 4.004 0.002 . . . . . . . 13 A H5'' . 54037 1 104 . 1 . 1 13 13 A H8 H 1 8.278 0.009 . . . . . . . 13 A H8 . 54037 1 105 . 1 . 1 13 13 A H61 H 1 6.563 0.002 . . . . . . . 13 A H61 . 54037 1 106 . 1 . 1 13 13 A H62 H 1 6.718 0.010 . . . . . . . 13 A H62 . 54037 1 107 . 1 . 1 13 13 A C1' C 13 90.111 0.069 . . . . . . . 13 A C1' . 54037 1 108 . 1 . 1 13 13 A C2 C 13 155.149 0.140 . . . . . . . 13 A C2 . 54037 1 109 . 1 . 1 13 13 A C8 C 13 141.762 0.155 . . . . . . . 13 A C8 . 54037 1 110 . 1 . 1 14 14 U H1' H 1 5.622 0.006 . . . . . . . 14 U H1' . 54037 1 111 . 1 . 1 14 14 U H2' H 1 4.299 0.008 . . . . . . . 14 U H2' . 54037 1 112 . 1 . 1 14 14 U H3' H 1 4.496 0.004 . . . . . . . 14 U H3' . 54037 1 113 . 1 . 1 14 14 U H4' H 1 4.163 0.006 . . . . . . . 14 U H4' . 54037 1 114 . 1 . 1 14 14 U H5 H 1 5.725 0.006 . . . . . . . 14 U H5 . 54037 1 115 . 1 . 1 14 14 U H5' H 1 4.008 0.016 . . . . . . . 14 U H5' . 54037 1 116 . 1 . 1 14 14 U H6 H 1 7.731 0.010 . . . . . . . 14 U H6 . 54037 1 117 . 1 . 1 14 14 U C1' C 13 92.505 0.154 . . . . . . . 14 U C1' . 54037 1 118 . 1 . 1 14 14 U C5 C 13 105.193 0.019 . . . . . . . 14 U C5 . 54037 1 119 . 1 . 1 14 14 U C6 C 13 142.776 0.135 . . . . . . . 14 U C6 . 54037 1 120 . 1 . 1 15 15 U H1' H 1 5.780 0.005 . . . . . . . 15 U H1' . 54037 1 121 . 1 . 1 15 15 U H2' H 1 4.328 0.007 . . . . . . . 15 U H2' . 54037 1 122 . 1 . 1 15 15 U H3' H 1 4.572 0.003 . . . . . . . 15 U H3' . 54037 1 123 . 1 . 1 15 15 U H4' H 1 4.139 0.012 . . . . . . . 15 U H4' . 54037 1 124 . 1 . 1 15 15 U H5 H 1 5.718 0.005 . . . . . . . 15 U H5 . 54037 1 125 . 1 . 1 15 15 U H5' H 1 4.049 0.008 . . . . . . . 15 U H5' . 54037 1 126 . 1 . 1 15 15 U H6 H 1 7.612 0.009 . . . . . . . 15 U H6 . 54037 1 127 . 1 . 1 15 15 U C1' C 13 90.576 0.051 . . . . . . . 15 U C1' . 54037 1 128 . 1 . 1 15 15 U C5 C 13 105.230 0.070 . . . . . . . 15 U C5 . 54037 1 129 . 1 . 1 15 15 U C6 C 13 143.737 0.048 . . . . . . . 15 U C6 . 54037 1 130 . 1 . 1 16 16 U H1' H 1 5.776 0.007 . . . . . . . 16 U H1' . 54037 1 131 . 1 . 1 16 16 U H2' H 1 4.565 0.007 . . . . . . . 16 U H2' . 54037 1 132 . 1 . 1 16 16 U H3' H 1 4.298 0.006 . . . . . . . 16 U H3' . 54037 1 133 . 1 . 1 16 16 U H5 H 1 5.660 0.004 . . . . . . . 16 U H5 . 54037 1 134 . 1 . 1 16 16 U H5' H 1 4.035 0.002 . . . . . . . 16 U H5' . 54037 1 135 . 1 . 1 16 16 U H6 H 1 7.654 0.009 . . . . . . . 16 U H6 . 54037 1 136 . 1 . 1 16 16 U C1' C 13 90.562 0.075 . . . . . . . 16 U C1' . 54037 1 137 . 1 . 1 16 16 U C5 C 13 105.026 0.157 . . . . . . . 16 U C5 . 54037 1 138 . 1 . 1 16 16 U C6 C 13 143.570 0.030 . . . . . . . 16 U C6 . 54037 1 139 . 1 . 1 17 17 A H1' H 1 5.954 0.004 . . . . . . . 17 A H1' . 54037 1 140 . 1 . 1 17 17 A H2 H 1 7.867 0.008 . . . . . . . 17 A H2 . 54037 1 141 . 1 . 1 17 17 A H2' H 1 4.761 0.010 . . . . . . . 17 A H2' . 54037 1 142 . 1 . 1 17 17 A H3' H 1 4.531 0.013 . . . . . . . 17 A H3' . 54037 1 143 . 1 . 1 17 17 A H4' H 1 4.343 0.004 . . . . . . . 17 A H4' . 54037 1 144 . 1 . 1 17 17 A H5' H 1 4.140 0.008 . . . . . . . 17 A H5' . 54037 1 145 . 1 . 1 17 17 A H5'' H 1 4.059 0.006 . . . . . . . 17 A H5'' . 54037 1 146 . 1 . 1 17 17 A H8 H 1 8.257 0.005 . . . . . . . 17 A H8 . 54037 1 147 . 1 . 1 17 17 A C1' C 13 92.255 0.174 . . . . . . . 17 A C1' . 54037 1 148 . 1 . 1 17 17 A C2 C 13 154.216 0.096 . . . . . . . 17 A C2 . 54037 1 149 . 1 . 1 17 17 A C8 C 13 141.483 0.079 . . . . . . . 17 A C8 . 54037 1 150 . 1 . 1 18 18 U H1' H 1 5.398 0.006 . . . . . . . 18 U H1' . 54037 1 151 . 1 . 1 18 18 U H2' H 1 4.333 0.005 . . . . . . . 18 U H2' . 54037 1 152 . 1 . 1 18 18 U H3' H 1 4.486 0.005 . . . . . . . 18 U H3' . 54037 1 153 . 1 . 1 18 18 U H4' H 1 4.228 0.005 . . . . . . . 18 U H4' . 54037 1 154 . 1 . 1 18 18 U H5 H 1 5.403 0.008 . . . . . . . 18 U H5 . 54037 1 155 . 1 . 1 18 18 U H5' H 1 4.060 . . . . . . . . 18 U H5' . 54037 1 156 . 1 . 1 18 18 U H5'' H 1 4.001 0.002 . . . . . . . 18 U H5'' . 54037 1 157 . 1 . 1 18 18 U H6 H 1 7.510 0.011 . . . . . . . 18 U H6 . 54037 1 158 . 1 . 1 18 18 U C1' C 13 93.907 0.035 . . . . . . . 18 U C1' . 54037 1 159 . 1 . 1 18 18 U C5 C 13 104.064 0.046 . . . . . . . 18 U C5 . 54037 1 160 . 1 . 1 18 18 U C6 C 13 141.853 0.174 . . . . . . . 18 U C6 . 54037 1 161 . 1 . 1 19 19 G H1 H 1 13.376 0.026 . . . . . . . 19 G H1 . 54037 1 162 . 1 . 1 19 19 G H2' H 1 4.650 . . . . . . . . 19 G H2' . 54037 1 163 . 1 . 1 19 19 G H3' H 1 4.492 . . . . . . . . 19 G H3' . 54037 1 164 . 1 . 1 19 19 G H4' H 1 4.322 . . . . . . . . 19 G H4' . 54037 1 165 . 1 . 1 19 19 G H5' H 1 4.056 . . . . . . . . 19 G H5' . 54037 1 166 . 1 . 1 19 19 G H5'' H 1 3.984 . . . . . . . . 19 G H5'' . 54037 1 167 . 1 . 1 19 19 G H8 H 1 7.787 0.023 . . . . . . . 19 G H8 . 54037 1 168 . 1 . 1 19 19 G C8 C 13 137.707 0.043 . . . . . . . 19 G C8 . 54037 1 169 . 1 . 1 19 19 G N1 N 15 148.433 . . . . . . . . 19 G N1 . 54037 1 170 . 1 . 1 20 20 U H1' H 1 5.793 0.005 . . . . . . . 20 U H1' . 54037 1 171 . 1 . 1 20 20 U H3' H 1 4.353 0.001 . . . . . . . 20 U H3' . 54037 1 172 . 1 . 1 20 20 U H5 H 1 5.471 0.007 . . . . . . . 20 U H5 . 54037 1 173 . 1 . 1 20 20 U H6 H 1 7.820 0.014 . . . . . . . 20 U H6 . 54037 1 174 . 1 . 1 20 20 U C6 C 13 143.127 0.005 . . . . . . . 20 U C6 . 54037 1 175 . 1 . 1 21 21 U H5 H 1 5.468 0.007 . . . . . . . 21 U H5 . 54037 1 176 . 1 . 1 21 21 U H6 H 1 7.821 0.013 . . . . . . . 21 U H6 . 54037 1 177 . 1 . 1 21 21 U C6 C 13 143.127 0.005 . . . . . . . 21 U C6 . 54037 1 178 . 1 . 1 22 22 G H1 H 1 12.001 0.011 . . . . . . . 22 G H1 . 54037 1 179 . 1 . 1 22 22 G H1' H 1 5.918 0.008 . . . . . . . 22 G H1' . 54037 1 180 . 1 . 1 22 22 G H2' H 1 4.489 0.002 . . . . . . . 22 G H2' . 54037 1 181 . 1 . 1 22 22 G H8 H 1 7.961 0.009 . . . . . . . 22 G H8 . 54037 1 182 . 1 . 1 22 22 G H21 H 1 6.855 0.004 . . . . . . . 22 G H21 . 54037 1 183 . 1 . 1 22 22 G C8 C 13 138.076 0.064 . . . . . . . 22 G C8 . 54037 1 184 . 1 . 1 22 22 G N1 N 15 146.164 0.063 . . . . . . . 22 G N1 . 54037 1 185 . 1 . 1 23 23 A H1' H 1 5.674 0.007 . . . . . . . 23 A H1' . 54037 1 186 . 1 . 1 23 23 A H2 H 1 7.199 0.007 . . . . . . . 23 A H2 . 54037 1 187 . 1 . 1 23 23 A H2' H 1 4.677 0.003 . . . . . . . 23 A H2' . 54037 1 188 . 1 . 1 23 23 A H8 H 1 7.881 0.012 . . . . . . . 23 A H8 . 54037 1 189 . 1 . 1 23 23 A C1' C 13 93.652 0.052 . . . . . . . 23 A C1' . 54037 1 190 . 1 . 1 23 23 A C2 C 13 153.032 0.075 . . . . . . . 23 A C2 . 54037 1 191 . 1 . 1 23 23 A C8 C 13 139.876 0.067 . . . . . . . 23 A C8 . 54037 1 192 . 1 . 1 24 24 A H1' H 1 5.924 0.006 . . . . . . . 24 A H1' . 54037 1 193 . 1 . 1 24 24 A H2 H 1 7.812 0.017 . . . . . . . 24 A H2 . 54037 1 194 . 1 . 1 24 24 A H2' H 1 4.396 . . . . . . . . 24 A H2' . 54037 1 195 . 1 . 1 24 24 A H5' H 1 3.764 0.007 . . . . . . . 24 A H5' . 54037 1 196 . 1 . 1 24 24 A H5'' H 1 3.861 0.004 . . . . . . . 24 A H5'' . 54037 1 197 . 1 . 1 24 24 A H8 H 1 7.828 0.015 . . . . . . . 24 A H8 . 54037 1 198 . 1 . 1 24 24 A H61 H 1 7.041 0.008 . . . . . . . 24 A H61 . 54037 1 199 . 1 . 1 24 24 A C1' C 13 92.887 0.008 . . . . . . . 24 A C1' . 54037 1 200 . 1 . 1 24 24 A C2 C 13 154.083 0.073 . . . . . . . 24 A C2 . 54037 1 201 . 1 . 1 24 24 A C8 C 13 139.265 0.119 . . . . . . . 24 A C8 . 54037 1 202 . 1 . 1 25 25 U H1' H 1 5.466 0.008 . . . . . . . 25 U H1' . 54037 1 203 . 1 . 1 25 25 U H2' H 1 4.586 0.003 . . . . . . . 25 U H2' . 54037 1 204 . 1 . 1 25 25 U H3 H 1 13.742 0.023 . . . . . . . 25 U H3 . 54037 1 205 . 1 . 1 25 25 U H3' H 1 4.370 0.005 . . . . . . . 25 U H3' . 54037 1 206 . 1 . 1 25 25 U H4' H 1 4.233 0.001 . . . . . . . 25 U H4' . 54037 1 207 . 1 . 1 25 25 U H5 H 1 5.167 0.020 . . . . . . . 25 U H5 . 54037 1 208 . 1 . 1 25 25 U H5' H 1 4.084 . . . . . . . . 25 U H5' . 54037 1 209 . 1 . 1 25 25 U H6 H 1 7.475 0.009 . . . . . . . 25 U H6 . 54037 1 210 . 1 . 1 25 25 U C1' C 13 93.791 0.043 . . . . . . . 25 U C1' . 54037 1 211 . 1 . 1 25 25 U C5 C 13 103.134 0.086 . . . . . . . 25 U C5 . 54037 1 212 . 1 . 1 25 25 U C6 C 13 141.264 0.049 . . . . . . . 25 U C6 . 54037 1 213 . 1 . 1 25 25 U N3 N 15 162.597 . . . . . . . . 25 U N3 . 54037 1 214 . 1 . 1 26 26 C H1' H 1 5.598 0.008 . . . . . . . 26 C H1' . 54037 1 215 . 1 . 1 26 26 C H2' H 1 4.473 0.007 . . . . . . . 26 C H2' . 54037 1 216 . 1 . 1 26 26 C H3' H 1 4.101 0.004 . . . . . . . 26 C H3' . 54037 1 217 . 1 . 1 26 26 C H5 H 1 5.573 0.012 . . . . . . . 26 C H5 . 54037 1 218 . 1 . 1 26 26 C H5' H 1 3.965 0.006 . . . . . . . 26 C H5' . 54037 1 219 . 1 . 1 26 26 C H6 H 1 7.638 0.006 . . . . . . . 26 C H6 . 54037 1 220 . 1 . 1 26 26 C H41 H 1 7.110 0.012 . . . . . . . 26 C H41 . 54037 1 221 . 1 . 1 26 26 C H42 H 1 6.693 0.001 . . . . . . . 26 C H42 . 54037 1 222 . 1 . 1 26 26 C C1' C 13 92.994 0.013 . . . . . . . 26 C C1' . 54037 1 223 . 1 . 1 26 26 C C5 C 13 98.341 0.051 . . . . . . . 26 C C5 . 54037 1 224 . 1 . 1 26 26 C C6 C 13 141.710 0.149 . . . . . . . 26 C C6 . 54037 1 225 . 1 . 1 26 26 C N3 N 15 197.589 . . . . . . . . 26 C N3 . 54037 1 226 . 1 . 1 27 27 C H2' H 1 4.464 . . . . . . . . 27 C H2' . 54037 1 227 . 1 . 1 27 27 C H3' H 1 4.226 0.008 . . . . . . . 27 C H3' . 54037 1 228 . 1 . 1 27 27 C H4' H 1 4.361 0.003 . . . . . . . 27 C H4' . 54037 1 229 . 1 . 1 27 27 C H5 H 1 5.703 0.008 . . . . . . . 27 C H5 . 54037 1 230 . 1 . 1 27 27 C H5' H 1 4.013 0.001 . . . . . . . 27 C H5' . 54037 1 231 . 1 . 1 27 27 C H6 H 1 7.891 0.007 . . . . . . . 27 C H6 . 54037 1 232 . 1 . 1 27 27 C H41 H 1 7.143 0.017 . . . . . . . 27 C H41 . 54037 1 233 . 1 . 1 27 27 C C5 C 13 97.750 0.061 . . . . . . . 27 C C5 . 54037 1 234 . 1 . 1 27 27 C C6 C 13 141.782 0.074 . . . . . . . 27 C C6 . 54037 1 235 . 1 . 1 27 27 C N3 N 15 197.263 . . . . . . . . 27 C N3 . 54037 1 stop_ save_