################################### # 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 52092 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name SL3a-top _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 HSQC' . . . 52092 1 2 '2D 1H-1H NOESY' . . . 52092 1 3 '2D 1H-15N HSQC' . . . 52092 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 . . 52092 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 12.969 0.011 . 1 . . . . . 220 G H1 . 52092 1 2 . 1 . 1 1 1 G H1' H 1 5.817 0.007 . 1 . . . . . 220 G H1' . 52092 1 3 . 1 . 1 1 1 G H8 H 1 8.164 0.010 . 1 . . . . . 220 G H8 . 52092 1 4 . 1 . 1 1 1 G C1' C 13 91.805 0.000 . 1 . . . . . 220 G C1' . 52092 1 5 . 1 . 1 1 1 G C8 C 13 139.784 0.000 . 1 . . . . . 220 G C8 . 52092 1 6 . 1 . 1 1 1 G N1 N 15 147.351 0.000 . 1 . . . . . 220 G N1 . 52092 1 7 . 1 . 1 2 2 G H1 H 1 13.473 0.026 . 1 . . . . . 221 G H1 . 52092 1 8 . 1 . 1 2 2 G H1' H 1 5.933 0.004 . 1 . . . . . 221 G H1' . 52092 1 9 . 1 . 1 2 2 G H8 H 1 7.673 0.009 . 1 . . . . . 221 G H8 . 52092 1 10 . 1 . 1 2 2 G C1' C 13 93.539 0.000 . 1 . . . . . 221 G C1' . 52092 1 11 . 1 . 1 2 2 G C8 C 13 137.634 0.000 . 1 . . . . . 221 G C8 . 52092 1 12 . 1 . 1 2 2 G N1 N 15 148.566 0.000 . 1 . . . . . 221 G N1 . 52092 1 13 . 1 . 1 3 3 C H1' H 1 5.690 0.003 . 1 . . . . . 222 C H1' . 52092 1 14 . 1 . 1 3 3 C H5 H 1 5.281 0.005 . 1 . . . . . 222 C H5 . 52092 1 15 . 1 . 1 3 3 C H6 H 1 7.742 0.013 . 1 . . . . . 222 C H6 . 52092 1 16 . 1 . 1 3 3 C H41 H 1 8.698 0.021 . 1 . . . . . 222 C H41 . 52092 1 17 . 1 . 1 3 3 C H42 H 1 6.972 0.056 . 1 . . . . . 222 C H42 . 52092 1 18 . 1 . 1 3 3 C C1' C 13 93.987 0.000 . 1 . . . . . 222 C C1' . 52092 1 19 . 1 . 1 3 3 C C5 C 13 97.900 0.000 . 1 . . . . . 222 C C5 . 52092 1 20 . 1 . 1 3 3 C C6 C 13 141.681 0.000 . 1 . . . . . 222 C C6 . 52092 1 21 . 1 . 1 4 4 U H1' H 1 5.565 0.003 . 1 . . . . . 223 U H1' . 52092 1 22 . 1 . 1 4 4 U H3 H 1 14.123 0.033 . 1 . . . . . 223 U H3 . 52092 1 23 . 1 . 1 4 4 U H5 H 1 5.433 0.005 . 1 . . . . . 223 U H5 . 52092 1 24 . 1 . 1 4 4 U H6 H 1 7.931 0.013 . 1 . . . . . 223 U H6 . 52092 1 25 . 1 . 1 4 4 U C1' C 13 94.458 0.000 . 1 . . . . . 223 U C1' . 52092 1 26 . 1 . 1 4 4 U C5 C 13 103.952 0.000 . 1 . . . . . 223 U C5 . 52092 1 27 . 1 . 1 4 4 U C6 C 13 142.661 0.000 . 1 . . . . . 223 U C6 . 52092 1 28 . 1 . 1 4 4 U N3 N 15 162.724 0.000 . 1 . . . . . 223 U N3 . 52092 1 29 . 1 . 1 5 5 C H1' H 1 5.514 0.002 . 1 . . . . . 224 C H1' . 52092 1 30 . 1 . 1 5 5 C H5 H 1 5.619 0.004 . 1 . . . . . 224 C H5 . 52092 1 31 . 1 . 1 5 5 C H6 H 1 7.865 0.010 . 1 . . . . . 224 C H6 . 52092 1 32 . 1 . 1 5 5 C H41 H 1 8.356 0.016 . 1 . . . . . 224 C H41 . 52092 1 33 . 1 . 1 5 5 C H42 H 1 6.872 0.026 . 1 . . . . . 224 C H42 . 52092 1 34 . 1 . 1 5 5 C C1' C 13 94.641 0.000 . 1 . . . . . 224 C C1' . 52092 1 35 . 1 . 1 5 5 C C5 C 13 98.156 0.000 . 1 . . . . . 224 C C5 . 52092 1 36 . 1 . 1 5 5 C C6 C 13 142.253 0.000 . 1 . . . . . 224 C C6 . 52092 1 37 . 1 . 1 6 6 C H1' H 1 5.359 0.009 . 1 . . . . . 225 C H1' . 52092 1 38 . 1 . 1 6 6 C H5 H 1 5.306 0.011 . 1 . . . . . 225 C H5 . 52092 1 39 . 1 . 1 6 6 C H6 H 1 7.517 0.014 . 1 . . . . . 225 C H6 . 52092 1 40 . 1 . 1 6 6 C H41 H 1 7.798 0.017 . 1 . . . . . 225 C H41 . 52092 1 41 . 1 . 1 6 6 C H42 H 1 6.684 0.033 . 1 . . . . . 225 C H42 . 52092 1 42 . 1 . 1 6 6 C C1' C 13 94.623 0.000 . 1 . . . . . 225 C C1' . 52092 1 43 . 1 . 1 6 6 C C5 C 13 98.358 0.000 . 1 . . . . . 225 C C5 . 52092 1 44 . 1 . 1 6 6 C C6 C 13 141.319 0.000 . 1 . . . . . 225 C C6 . 52092 1 45 . 1 . 1 7 7 A H1' H 1 5.821 0.018 . 1 . . . . . 226 A H1' . 52092 1 46 . 1 . 1 7 7 A H2 H 1 7.689 0.000 . 1 . . . . . 226 A H2 . 52092 1 47 . 1 . 1 7 7 A H8 H 1 8.133 0.013 . 1 . . . . . 226 A H8 . 52092 1 48 . 1 . 1 7 7 A C2 C 13 154.519 0.000 . 1 . . . . . 226 A C2 . 52092 1 49 . 1 . 1 7 7 A C8 C 13 142.553 0.000 . 1 . . . . . 226 A C8 . 52092 1 50 . 1 . 1 8 8 A H1' H 1 5.751 0.121 . 1 . . . . . 227 A H1' . 52092 1 51 . 1 . 1 8 8 A H2 H 1 7.547 0.120 . 1 . . . . . 227 A H2 . 52092 1 52 . 1 . 1 8 8 A H8 H 1 7.892 0.044 . 1 . . . . . 227 A H8 . 52092 1 53 . 1 . 1 8 8 A C8 C 13 141.642 0.000 . 1 . . . . . 227 A C8 . 52092 1 54 . 1 . 1 9 9 A H1' H 1 5.465 0.152 . 1 . . . . . 228 A H1' . 52092 1 55 . 1 . 1 9 9 A H2 H 1 7.524 0.122 . 1 . . . . . 228 A H2 . 52092 1 56 . 1 . 1 9 9 A H8 H 1 7.997 0.054 . 1 . . . . . 228 A H8 . 52092 1 57 . 1 . 1 9 9 A C2 C 13 154.639 0.000 . 1 . . . . . 228 A C2 . 52092 1 58 . 1 . 1 9 9 A C8 C 13 140.999 0.000 . 1 . . . . . 228 A C8 . 52092 1 59 . 1 . 1 10 10 C H1' H 1 5.494 0.142 . 1 . . . . . 229 C H1' . 52092 1 60 . 1 . 1 10 10 C H5 H 1 5.115 0.013 . 1 . . . . . 229 C H5 . 52092 1 61 . 1 . 1 10 10 C H6 H 1 7.341 0.012 . 1 . . . . . 229 C H6 . 52092 1 62 . 1 . 1 10 10 C H41 H 1 8.192 0.048 . 1 . . . . . 229 C H41 . 52092 1 63 . 1 . 1 10 10 C H42 H 1 6.737 0.048 . 1 . . . . . 229 C H42 . 52092 1 64 . 1 . 1 10 10 C C1' C 13 94.399 0.000 . 1 . . . . . 229 C C1' . 52092 1 65 . 1 . 1 10 10 C C5 C 13 98.442 0.000 . 1 . . . . . 229 C C5 . 52092 1 66 . 1 . 1 10 10 C C6 C 13 141.516 0.000 . 1 . . . . . 229 C C6 . 52092 1 67 . 1 . 1 11 11 A H1' H 1 5.630 0.008 . 1 . . . . . 230 A H1' . 52092 1 68 . 1 . 1 11 11 A H2 H 1 6.923 0.024 . 1 . . . . . 230 A H2 . 52092 1 69 . 1 . 1 11 11 A H8 H 1 8.110 0.016 . 1 . . . . . 230 A H8 . 52092 1 70 . 1 . 1 11 11 A C2 C 13 153.002 0.000 . 1 . . . . . 230 A C2 . 52092 1 71 . 1 . 1 11 11 A C8 C 13 140.712 0.000 . 1 . . . . . 230 A C8 . 52092 1 72 . 1 . 1 12 12 A H1' H 1 5.832 0.024 . 1 . . . . . 231 A H1' . 52092 1 73 . 1 . 1 12 12 A H2 H 1 7.627 0.004 . 1 . . . . . 231 A H2 . 52092 1 74 . 1 . 1 12 12 A H8 H 1 7.930 0.012 . 1 . . . . . 231 A H8 . 52092 1 75 . 1 . 1 12 12 A C2 C 13 155.847 0.000 . 1 . . . . . 231 A C2 . 52092 1 76 . 1 . 1 12 12 A C8 C 13 140.247 0.000 . 1 . . . . . 231 A C8 . 52092 1 77 . 1 . 1 13 13 G H1' H 1 5.408 0.005 . 1 . . . . . 232 G H1' . 52092 1 78 . 1 . 1 13 13 G H8 H 1 6.955 0.060 . 1 . . . . . 232 G H8 . 52092 1 79 . 1 . 1 13 13 G C1' C 13 93.547 0.000 . 1 . . . . . 232 G C1' . 52092 1 80 . 1 . 1 13 13 G C8 C 13 137.073 0.000 . 1 . . . . . 232 G C8 . 52092 1 81 . 1 . 1 14 14 C H1' H 1 5.370 0.000 . 1 . . . . . 233 C H1' . 52092 1 82 . 1 . 1 14 14 C H5 H 1 5.367 0.003 . 1 . . . . . 233 C H5 . 52092 1 83 . 1 . 1 14 14 C H6 H 1 7.633 0.000 . 1 . . . . . 233 C H6 . 52092 1 84 . 1 . 1 14 14 C C1' C 13 96.753 0.000 . 1 . . . . . 233 C C1' . 52092 1 85 . 1 . 1 14 14 C C5 C 13 96.753 0.000 . 1 . . . . . 233 C C5 . 52092 1 86 . 1 . 1 14 14 C C6 C 13 143.372 0.000 . 1 . . . . . 233 C C6 . 52092 1 87 . 1 . 1 15 15 U H3 H 1 11.410 0.000 . 1 . . . . . 234 U H3 . 52092 1 88 . 1 . 1 15 15 U H5 H 1 5.536 0.002 . 1 . . . . . 234 U H5 . 52092 1 89 . 1 . 1 15 15 U H6 H 1 7.843 0.000 . 1 . . . . . 234 U H6 . 52092 1 90 . 1 . 1 15 15 U C5 C 13 103.528 0.000 . 1 . . . . . 234 U C5 . 52092 1 91 . 1 . 1 15 15 U C6 C 13 144.072 0.000 . 1 . . . . . 234 U C6 . 52092 1 92 . 1 . 1 15 15 U N3 N 15 158.348 0.000 . 1 . . . . . 234 U N3 . 52092 1 93 . 1 . 1 16 16 C H5 H 1 6.277 0.634 . 1 . . . . . 235 C H5 . 52092 1 94 . 1 . 1 16 16 C H6 H 1 7.945 0.013 . 1 . . . . . 235 C H6 . 52092 1 95 . 1 . 1 16 16 C H42 H 1 6.643 0.731 . 1 . . . . . 235 C H42 . 52092 1 96 . 1 . 1 16 16 C C5 C 13 98.875 0.000 . 1 . . . . . 235 C C5 . 52092 1 97 . 1 . 1 16 16 C C6 C 13 142.434 0.000 . 1 . . . . . 235 C C6 . 52092 1 98 . 1 . 1 17 17 U H5 H 1 5.571 0.000 . 1 . . . . . 236 U H5 . 52092 1 99 . 1 . 1 17 17 U H6 H 1 7.725 0.000 . 1 . . . . . 236 U H6 . 52092 1 100 . 1 . 1 17 17 U C5 C 13 105.683 0.000 . 1 . . . . . 236 U C5 . 52092 1 101 . 1 . 1 17 17 U C6 C 13 142.557 0.000 . 1 . . . . . 236 U C6 . 52092 1 102 . 1 . 1 18 18 C H5 H 1 5.978 0.004 . 1 . . . . . 237 C H5 . 52092 1 103 . 1 . 1 18 18 C H6 H 1 7.863 0.010 . 1 . . . . . 237 C H6 . 52092 1 104 . 1 . 1 18 18 C C5 C 13 99.228 0.000 . 1 . . . . . 237 C C5 . 52092 1 105 . 1 . 1 18 18 C C6 C 13 144.824 0.000 . 1 . . . . . 237 C C6 . 52092 1 106 . 1 . 1 19 19 A H2 H 1 7.929 0.000 . 1 . . . . . 238 A H2 . 52092 1 107 . 1 . 1 19 19 A C2 C 13 155.451 0.000 . 1 . . . . . 238 A C2 . 52092 1 108 . 1 . 1 20 20 A H2 H 1 7.553 0.077 . 1 . . . . . 239 A H2 . 52092 1 109 . 1 . 1 20 20 A C2 C 13 154.612 0.000 . 1 . . . . . 239 A C2 . 52092 1 110 . 1 . 1 21 21 G H1' H 1 5.829 0.000 . 1 . . . . . 240 G H1' . 52092 1 111 . 1 . 1 22 22 G H1 H 1 13.028 0.000 . 1 . . . . . 241 G H1 . 52092 1 112 . 1 . 1 22 22 G H8 H 1 7.614 0.000 . 1 . . . . . 241 G H8 . 52092 1 113 . 1 . 1 22 22 G C8 C 13 139.765 0.000 . 1 . . . . . 241 G C8 . 52092 1 114 . 1 . 1 22 22 G N1 N 15 147.747 0.000 . 1 . . . . . 241 G N1 . 52092 1 115 . 1 . 1 23 23 U H1' H 1 5.547 0.217 . 1 . . . . . 242 U H1' . 52092 1 116 . 1 . 1 23 23 U H3 H 1 10.808 0.000 . 1 . . . . . 242 U H3 . 52092 1 117 . 1 . 1 23 23 U H5 H 1 5.268 0.002 . 1 . . . . . 242 U H5 . 52092 1 118 . 1 . 1 23 23 U H6 H 1 7.505 0.010 . 1 . . . . . 242 U H6 . 52092 1 119 . 1 . 1 23 23 U C1' C 13 94.920 0.000 . 1 . . . . . 242 U C1' . 52092 1 120 . 1 . 1 23 23 U C5 C 13 104.509 0.000 . 1 . . . . . 242 U C5 . 52092 1 121 . 1 . 1 23 23 U C6 C 13 140.991 0.000 . 1 . . . . . 242 U C6 . 52092 1 122 . 1 . 1 23 23 U N3 N 15 157.144 0.000 . 1 . . . . . 242 U N3 . 52092 1 123 . 1 . 1 24 24 C H1' H 1 5.420 0.010 . 1 . . . . . 243 C H1' . 52092 1 124 . 1 . 1 24 24 C H5 H 1 5.883 0.004 . 1 . . . . . 243 C H5 . 52092 1 125 . 1 . 1 24 24 C H6 H 1 8.068 0.012 . 1 . . . . . 243 C H6 . 52092 1 126 . 1 . 1 24 24 C C1' C 13 94.619 0.000 . 1 . . . . . 243 C C1' . 52092 1 127 . 1 . 1 24 24 C C5 C 13 98.677 0.000 . 1 . . . . . 243 C C5 . 52092 1 128 . 1 . 1 24 24 C C6 C 13 143.523 0.000 . 1 . . . . . 243 C C6 . 52092 1 129 . 1 . 1 25 25 C H1' H 1 5.761 0.017 . 1 . . . . . 244 C H1' . 52092 1 130 . 1 . 1 25 25 C H5 H 1 5.661 0.006 . 1 . . . . . 244 C H5 . 52092 1 131 . 1 . 1 25 25 C H6 H 1 7.668 0.012 . 1 . . . . . 244 C H6 . 52092 1 132 . 1 . 1 25 25 C C5 C 13 99.264 0.000 . 1 . . . . . 244 C C5 . 52092 1 133 . 1 . 1 25 25 C C6 C 13 143.413 0.000 . 1 . . . . . 244 C C6 . 52092 1 134 . 1 . 1 26 26 A H1' H 1 6.075 0.010 . 1 . . . . . 245 A H1' . 52092 1 135 . 1 . 1 26 26 A H2 H 1 7.944 0.127 . 1 . . . . . 245 A H2 . 52092 1 136 . 1 . 1 26 26 A H2' H 1 4.682 0.000 . 1 . . . . . 245 A H2' . 52092 1 137 . 1 . 1 26 26 A H8 H 1 8.365 0.013 . 1 . . . . . 245 A H8 . 52092 1 138 . 1 . 1 26 26 A C1' C 13 90.858 0.000 . 1 . . . . . 245 A C1' . 52092 1 139 . 1 . 1 26 26 A C2 C 13 155.874 0.000 . 1 . . . . . 245 A C2 . 52092 1 140 . 1 . 1 26 26 A C8 C 13 142.340 0.000 . 1 . . . . . 245 A C8 . 52092 1 141 . 1 . 1 27 27 U H1' H 1 5.895 0.004 . 1 . . . . . 246 U H1' . 52092 1 142 . 1 . 1 27 27 U H3 H 1 14.109 0.000 . 1 . . . . . 246 U H3 . 52092 1 143 . 1 . 1 27 27 U H5 H 1 5.713 0.015 . 1 . . . . . 246 U H5 . 52092 1 144 . 1 . 1 27 27 U H6 H 1 7.753 0.021 . 1 . . . . . 246 U H6 . 52092 1 145 . 1 . 1 27 27 U C1' C 13 91.349 0.000 . 1 . . . . . 246 U C1' . 52092 1 146 . 1 . 1 27 27 U C5 C 13 105.770 0.000 . 1 . . . . . 246 U C5 . 52092 1 147 . 1 . 1 27 27 U C6 C 13 143.941 0.000 . 1 . . . . . 246 U C6 . 52092 1 148 . 1 . 1 27 27 U N3 N 15 162.490 0.000 . 1 . . . . . 246 U N3 . 52092 1 149 . 1 . 1 28 28 U H5 H 1 5.682 0.000 . 1 . . . . . 247 U H5 . 52092 1 150 . 1 . 1 28 28 U H6 H 1 7.838 0.000 . 1 . . . . . 247 U H6 . 52092 1 151 . 1 . 1 28 28 U C5 C 13 104.979 0.000 . 1 . . . . . 247 U C5 . 52092 1 152 . 1 . 1 28 28 U C6 C 13 143.540 0.000 . 1 . . . . . 247 U C6 . 52092 1 153 . 1 . 1 29 29 U H1' H 1 5.909 0.002 . 1 . . . . . 248 U H1' . 52092 1 154 . 1 . 1 29 29 U H3 H 1 13.346 0.001 . 1 . . . . . 248 U H3 . 52092 1 155 . 1 . 1 29 29 U H5 H 1 5.665 0.005 . 1 . . . . . 248 U H5 . 52092 1 156 . 1 . 1 29 29 U H6 H 1 7.950 0.052 . 1 . . . . . 248 U H6 . 52092 1 157 . 1 . 1 29 29 U C5 C 13 104.454 0.000 . 1 . . . . . 248 U C5 . 52092 1 158 . 1 . 1 29 29 U C6 C 13 143.456 0.000 . 1 . . . . . 248 U C6 . 52092 1 159 . 1 . 1 29 29 U N3 N 15 162.741 0.000 . 1 . . . . . 248 U N3 . 52092 1 160 . 1 . 1 30 30 G H1 H 1 12.359 0.011 . 1 . . . . . 249 G H1 . 52092 1 161 . 1 . 1 30 30 G H1' H 1 5.857 0.019 . 1 . . . . . 249 G H1' . 52092 1 162 . 1 . 1 30 30 G H8 H 1 7.812 0.009 . 1 . . . . . 249 G H8 . 52092 1 163 . 1 . 1 30 30 G C8 C 13 137.597 0.000 . 1 . . . . . 249 G C8 . 52092 1 164 . 1 . 1 30 30 G N1 N 15 146.991 0.000 . 1 . . . . . 249 G N1 . 52092 1 165 . 1 . 1 31 31 U H5 H 1 5.209 0.002 . 1 . . . . . 250 U H5 . 52092 1 166 . 1 . 1 31 31 U H6 H 1 7.663 0.012 . 1 . . . . . 250 U H6 . 52092 1 167 . 1 . 1 31 31 U C5 C 13 104.047 0.000 . 1 . . . . . 250 U C5 . 52092 1 168 . 1 . 1 31 31 U C6 C 13 142.127 0.000 . 1 . . . . . 250 U C6 . 52092 1 169 . 1 . 1 32 32 A H1' H 1 5.803 0.000 . 1 . . . . . 251 A H1' . 52092 1 170 . 1 . 1 32 32 A H2 H 1 7.690 0.026 . 1 . . . . . 251 A H2 . 52092 1 171 . 1 . 1 32 32 A H8 H 1 7.844 0.000 . 1 . . . . . 251 A H8 . 52092 1 172 . 1 . 1 32 32 A C2 C 13 154.257 0.000 . 1 . . . . . 251 A C2 . 52092 1 173 . 1 . 1 32 32 A C8 C 13 141.032 0.000 . 1 . . . . . 251 A C8 . 52092 1 174 . 1 . 1 33 33 G H1 H 1 12.138 0.013 . 1 . . . . . 252 G H1 . 52092 1 175 . 1 . 1 33 33 G H1' H 1 5.641 0.007 . 1 . . . . . 252 G H1' . 52092 1 176 . 1 . 1 33 33 G H8 H 1 7.501 0.026 . 1 . . . . . 252 G H8 . 52092 1 177 . 1 . 1 33 33 G C8 C 13 137.219 0.000 . 1 . . . . . 252 G C8 . 52092 1 178 . 1 . 1 33 33 G N1 N 15 147.694 0.000 . 1 . . . . . 252 G N1 . 52092 1 179 . 1 . 1 34 34 G H1 H 1 12.176 0.015 . 1 . . . . . 253 G H1 . 52092 1 180 . 1 . 1 34 34 G H1' H 1 5.659 0.000 . 1 . . . . . 253 G H1' . 52092 1 181 . 1 . 1 34 34 G H8 H 1 7.134 0.005 . 1 . . . . . 253 G H8 . 52092 1 182 . 1 . 1 34 34 G C8 C 13 136.904 0.000 . 1 . . . . . 253 G C8 . 52092 1 183 . 1 . 1 34 34 G N1 N 15 146.974 0.000 . 1 . . . . . 253 G N1 . 52092 1 184 . 1 . 1 35 35 A H1' H 1 5.924 0.005 . 1 . . . . . 254 A H1' . 52092 1 185 . 1 . 1 35 35 A H2 H 1 7.413 0.017 . 1 . . . . . 254 A H2 . 52092 1 186 . 1 . 1 35 35 A H8 H 1 7.697 0.011 . 1 . . . . . 254 A H8 . 52092 1 187 . 1 . 1 35 35 A C1' C 13 93.471 0.000 . 1 . . . . . 254 A C1' . 52092 1 188 . 1 . 1 35 35 A C2 C 13 153.876 0.000 . 1 . . . . . 254 A C2 . 52092 1 189 . 1 . 1 35 35 A C8 C 13 139.924 0.000 . 1 . . . . . 254 A C8 . 52092 1 190 . 1 . 1 36 36 G H1 H 1 13.463 0.020 . 1 . . . . . 255 G H1 . 52092 1 191 . 1 . 1 36 36 G H1' H 1 5.622 0.005 . 1 . . . . . 255 G H1' . 52092 1 192 . 1 . 1 36 36 G H8 H 1 7.189 0.015 . 1 . . . . . 255 G H8 . 52092 1 193 . 1 . 1 36 36 G C1' C 13 93.356 0.000 . 1 . . . . . 255 G C1' . 52092 1 194 . 1 . 1 36 36 G C8 C 13 136.339 0.000 . 1 . . . . . 255 G C8 . 52092 1 195 . 1 . 1 36 36 G N1 N 15 148.551 0.000 . 1 . . . . . 255 G N1 . 52092 1 196 . 1 . 1 37 37 C H1' H 1 5.522 0.002 . 1 . . . . . 256 C H1' . 52092 1 197 . 1 . 1 37 37 C H5 H 1 5.175 0.002 . 1 . . . . . 256 C H5 . 52092 1 198 . 1 . 1 37 37 C H6 H 1 7.602 0.016 . 1 . . . . . 256 C H6 . 52092 1 199 . 1 . 1 37 37 C H41 H 1 8.642 0.008 . 1 . . . . . 256 C H41 . 52092 1 200 . 1 . 1 37 37 C H42 H 1 6.934 0.050 . 1 . . . . . 256 C H42 . 52092 1 201 . 1 . 1 37 37 C C5 C 13 97.801 0.000 . 1 . . . . . 256 C C5 . 52092 1 202 . 1 . 1 37 37 C C6 C 13 141.532 0.000 . 1 . . . . . 256 C C6 . 52092 1 203 . 1 . 1 38 38 C H5 H 1 5.529 0.002 . 1 . . . . . 257 C H5 . 52092 1 204 . 1 . 1 38 38 C H6 H 1 7.668 0.012 . 1 . . . . . 257 C H6 . 52092 1 205 . 1 . 1 38 38 C H41 H 1 8.447 0.020 . 1 . . . . . 257 C H41 . 52092 1 206 . 1 . 1 38 38 C H42 H 1 7.011 0.029 . 1 . . . . . 257 C H42 . 52092 1 207 . 1 . 1 38 38 C C5 C 13 98.972 0.000 . 1 . . . . . 257 C C5 . 52092 1 208 . 1 . 1 38 38 C C6 C 13 142.299 0.000 . 1 . . . . . 257 C C6 . 52092 1 stop_ save_