################################### # 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 27226 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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-13C HSQC' . . . 27226 1 2 '2D 1H-15N HSQC' . . . 27226 1 3 '2D 1H-1H NOESY' . . . 27226 1 4 '2D HNN COSY' . . . 27226 1 5 '3D HCN' . . . 27226 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 $SPARKY . . 27226 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 5.787 0.000 . 1 . . . . . 1 G H1' . 27226 1 2 . 1 . 1 1 1 G H8 H 1 8.109 0.000 . 1 . . . . . 1 G H8 . 27226 1 3 . 1 . 1 1 1 G C1' C 13 90.870 0.000 . 1 . . . . . 1 G C1' . 27226 1 4 . 1 . 1 1 1 G C8 C 13 139.042 0.000 . 1 . . . . . 1 G C8 . 27226 1 5 . 1 . 1 1 1 G N9 N 15 167.996 0.000 . 1 . . . . . 1 G N9 . 27226 1 6 . 1 . 1 2 2 G H1 H 1 13.311 0.000 . 1 . . . . . 2 G H1 . 27226 1 7 . 1 . 1 2 2 G H1' H 1 5.880 0.000 . 1 . . . . . 2 G H1' . 27226 1 8 . 1 . 1 2 2 G H8 H 1 7.601 0.000 . 1 . . . . . 2 G H8 . 27226 1 9 . 1 . 1 2 2 G C1' C 13 92.989 0.000 . 1 . . . . . 2 G C1' . 27226 1 10 . 1 . 1 2 2 G C8 C 13 136.765 0.000 . 1 . . . . . 2 G C8 . 27226 1 11 . 1 . 1 2 2 G N1 N 15 148.436 0.000 . 1 . . . . . 2 G N1 . 27226 1 12 . 1 . 1 2 2 G N9 N 15 169.305 0.004 . 1 . . . . . 2 G N9 . 27226 1 13 . 1 . 1 3 3 C H1' H 1 5.485 0.000 . 1 . . . . . 3 C H1' . 27226 1 14 . 1 . 1 3 3 C H6 H 1 7.676 0.000 . 1 . . . . . 3 C H6 . 27226 1 15 . 1 . 1 3 3 C H41 H 1 8.524 0.000 . 1 . . . . . 3 C H41 . 27226 1 16 . 1 . 1 3 3 C H42 H 1 6.848 0.000 . 1 . . . . . 3 C H42 . 27226 1 17 . 1 . 1 3 3 C C1' C 13 93.821 0.000 . 1 . . . . . 3 C C1' . 27226 1 18 . 1 . 1 3 3 C C6 C 13 140.697 0.000 . 1 . . . . . 3 C C6 . 27226 1 19 . 1 . 1 3 3 C N1 N 15 150.620 0.000 . 1 . . . . . 3 C N1 . 27226 1 20 . 1 . 1 3 3 C N3 N 15 197.037 0.000 . 1 . . . . . 3 C N3 . 27226 1 21 . 1 . 1 3 3 C N4 N 15 98.442 0.001 . 1 . . . . . 3 C N4 . 27226 1 22 . 1 . 1 4 4 A H1' H 1 5.922 0.000 . 1 . . . . . 4 A H1' . 27226 1 23 . 1 . 1 4 4 A H2 H 1 7.405 0.000 . 1 . . . . . 4 A H2 . 27226 1 24 . 1 . 1 4 4 A H8 H 1 8.006 0.000 . 1 . . . . . 4 A H8 . 27226 1 25 . 1 . 1 4 4 A C2 C 13 153.317 0.000 . 1 . . . . . 4 A C2 . 27226 1 26 . 1 . 1 4 4 A C8 C 13 139.328 0.000 . 1 . . . . . 4 A C8 . 27226 1 27 . 1 . 1 4 4 A N1 N 15 220.504 0.000 . 1 . . . . . 4 A N1 . 27226 1 28 . 1 . 1 4 4 A N9 N 15 170.857 0.004 . 1 . . . . . 4 A N9 . 27226 1 29 . 1 . 1 5 5 C H1' H 1 5.367 0.000 . 1 . . . . . 5 C H1' . 27226 1 30 . 1 . 1 5 5 C H5 H 1 5.160 0.000 . 1 . . . . . 5 C H5 . 27226 1 31 . 1 . 1 5 5 C H6 H 1 7.270 0.000 . 1 . . . . . 5 C H6 . 27226 1 32 . 1 . 1 5 5 C H41 H 1 8.168 0.000 . 1 . . . . . 5 C H41 . 27226 1 33 . 1 . 1 5 5 C H42 H 1 6.904 0.000 . 1 . . . . . 5 C H42 . 27226 1 34 . 1 . 1 5 5 C C1' C 13 93.329 0.000 . 1 . . . . . 5 C C1' . 27226 1 35 . 1 . 1 5 5 C C5 C 13 97.429 0.000 . 1 . . . . . 5 C C5 . 27226 1 36 . 1 . 1 5 5 C C6 C 13 140.431 0.000 . 1 . . . . . 5 C C6 . 27226 1 37 . 1 . 1 5 5 C N1 N 15 150.867 0.000 . 1 . . . . . 5 C N1 . 27226 1 38 . 1 . 1 5 5 C N3 N 15 197.183 0.000 . 1 . . . . . 5 C N3 . 27226 1 39 . 1 . 1 5 5 C N4 N 15 98.034 0.000 . 1 . . . . . 5 C N4 . 27226 1 40 . 1 . 1 6 6 C H1' H 1 5.537 0.000 . 1 . . . . . 6 C H1' . 27226 1 41 . 1 . 1 6 6 C H5 H 1 5.484 0.000 . 1 . . . . . 6 C H5 . 27226 1 42 . 1 . 1 6 6 C H6 H 1 7.540 0.001 . 1 . . . . . 6 C H6 . 27226 1 43 . 1 . 1 6 6 C C1' C 13 93.119 0.000 . 1 . . . . . 6 C C1' . 27226 1 44 . 1 . 1 6 6 C C5 C 13 97.866 0.000 . 1 . . . . . 6 C C5 . 27226 1 45 . 1 . 1 6 6 C C6 C 13 141.894 0.000 . 1 . . . . . 6 C C6 . 27226 1 46 . 1 . 1 6 6 C N1 N 15 151.924 0.003 . 1 . . . . . 6 C N1 . 27226 1 47 . 1 . 1 7 7 A H1' H 1 5.827 0.000 . 1 . . . . . 7 A H1' . 27226 1 48 . 1 . 1 7 7 A H2 H 1 7.886 0.000 . 1 . . . . . 7 A H2 . 27226 1 49 . 1 . 1 7 7 A H8 H 1 8.140 0.001 . 1 . . . . . 7 A H8 . 27226 1 50 . 1 . 1 7 7 A C1' C 13 90.352 0.000 . 1 . . . . . 7 A C1' . 27226 1 51 . 1 . 1 7 7 A C2 C 13 154.977 0.000 . 1 . . . . . 7 A C2 . 27226 1 52 . 1 . 1 7 7 A C8 C 13 141.338 0.000 . 1 . . . . . 7 A C8 . 27226 1 53 . 1 . 1 7 7 A N9 N 15 169.122 0.001 . 1 . . . . . 7 A N9 . 27226 1 54 . 1 . 1 8 8 U H1' H 1 5.948 0.000 . 1 . . . . . 8 U H1' . 27226 1 55 . 1 . 1 8 8 U H5 H 1 5.746 0.000 . 1 . . . . . 8 U H5 . 27226 1 56 . 1 . 1 8 8 U H6 H 1 7.756 0.000 . 1 . . . . . 8 U H6 . 27226 1 57 . 1 . 1 8 8 U C1' C 13 90.230 0.000 . 1 . . . . . 8 U C1' . 27226 1 58 . 1 . 1 8 8 U C5 C 13 105.410 0.000 . 1 . . . . . 8 U C5 . 27226 1 59 . 1 . 1 8 8 U C6 C 13 143.762 0.000 . 1 . . . . . 8 U C6 . 27226 1 60 . 1 . 1 8 8 U N1 N 15 143.642 0.001 . 1 . . . . . 8 U N1 . 27226 1 61 . 1 . 1 9 9 U H1' H 1 5.521 0.000 . 1 . . . . . 9 U H1' . 27226 1 62 . 1 . 1 9 9 U H5 H 1 5.517 0.000 . 1 . . . . . 9 U H5 . 27226 1 63 . 1 . 1 9 9 U H6 H 1 7.373 0.001 . 1 . . . . . 9 U H6 . 27226 1 64 . 1 . 1 9 9 U C1' C 13 89.977 0.000 . 1 . . . . . 9 U C1' . 27226 1 65 . 1 . 1 9 9 U C5 C 13 104.997 0.000 . 1 . . . . . 9 U C5 . 27226 1 66 . 1 . 1 9 9 U C6 C 13 142.718 0.000 . 1 . . . . . 9 U C6 . 27226 1 67 . 1 . 1 9 9 U N1 N 15 143.202 0.000 . 1 . . . . . 9 U N1 . 27226 1 68 . 1 . 1 10 10 A H2 H 1 7.986 0.000 . 1 . . . . . 10 A H2 . 27226 1 69 . 1 . 1 10 10 A H8 H 1 8.428 0.000 . 1 . . . . . 10 A H8 . 27226 1 70 . 1 . 1 10 10 A C2 C 13 154.395 0.000 . 1 . . . . . 10 A C2 . 27226 1 71 . 1 . 1 10 10 A C8 C 13 140.984 0.000 . 1 . . . . . 10 A C8 . 27226 1 72 . 1 . 1 10 10 A N9 N 15 170.372 0.000 . 1 . . . . . 10 A N9 . 27226 1 73 . 1 . 1 11 11 C H1' H 1 5.522 0.000 . 1 . . . . . 11 C H1' . 27226 1 74 . 1 . 1 11 11 C H5 H 1 5.438 0.062 . 1 . . . . . 11 C H5 . 27226 1 75 . 1 . 1 11 11 C H6 H 1 7.640 0.001 . 1 . . . . . 11 C H6 . 27226 1 76 . 1 . 1 11 11 C H41 H 1 8.391 0.000 . 1 . . . . . 11 C H41 . 27226 1 77 . 1 . 1 11 11 C H42 H 1 6.985 0.000 . 1 . . . . . 11 C H42 . 27226 1 78 . 1 . 1 11 11 C C1' C 13 93.944 0.000 . 1 . . . . . 11 C C1' . 27226 1 79 . 1 . 1 11 11 C C5 C 13 97.989 0.380 . 1 . . . . . 11 C C5 . 27226 1 80 . 1 . 1 11 11 C C6 C 13 141.267 0.000 . 1 . . . . . 11 C C6 . 27226 1 81 . 1 . 1 11 11 C N1 N 15 151.453 0.000 . 1 . . . . . 11 C N1 . 27226 1 82 . 1 . 1 11 11 C N3 N 15 197.951 0.000 . 1 . . . . . 11 C N3 . 27226 1 83 . 1 . 1 11 11 C N4 N 15 98.077 0.009 . 1 . . . . . 11 C N4 . 27226 1 84 . 1 . 1 12 12 U H1' H 1 5.574 0.000 . 1 . . . . . 12 U H1' . 27226 1 85 . 1 . 1 12 12 U H3 H 1 13.489 0.035 . 1 . . . . . 12 U H3 . 27226 1 86 . 1 . 1 12 12 U H5 H 1 5.403 0.000 . 1 . . . . . 12 U H5 . 27226 1 87 . 1 . 1 12 12 U H6 H 1 7.885 0.000 . 1 . . . . . 12 U H6 . 27226 1 88 . 1 . 1 12 12 U C1' C 13 93.495 0.000 . 1 . . . . . 12 U C1' . 27226 1 89 . 1 . 1 12 12 U C5 C 13 93.740 0.000 . 1 . . . . . 12 U C5 . 27226 1 90 . 1 . 1 12 12 U C6 C 13 141.716 0.000 . 1 . . . . . 12 U C6 . 27226 1 91 . 1 . 1 12 12 U N1 N 15 145.857 0.000 . 1 . . . . . 12 U N1 . 27226 1 92 . 1 . 1 12 12 U N3 N 15 162.159 0.000 . 1 . . . . . 12 U N3 . 27226 1 93 . 1 . 1 13 13 G H1 H 1 12.536 0.000 . 1 . . . . . 13 G H1 . 27226 1 94 . 1 . 1 13 13 G H1' H 1 5.822 0.000 . 1 . . . . . 13 G H1' . 27226 1 95 . 1 . 1 13 13 G H8 H 1 7.768 0.000 . 1 . . . . . 13 G H8 . 27226 1 96 . 1 . 1 13 13 G C1' C 13 92.491 0.000 . 1 . . . . . 13 G C1' . 27226 1 97 . 1 . 1 13 13 G C8 C 13 136.327 0.000 . 1 . . . . . 13 G C8 . 27226 1 98 . 1 . 1 13 13 G N1 N 15 147.520 0.000 . 1 . . . . . 13 G N1 . 27226 1 99 . 1 . 1 13 13 G N9 N 15 169.707 0.000 . 1 . . . . . 13 G N9 . 27226 1 100 . 1 . 1 14 14 C H1' H 1 5.428 0.000 . 1 . . . . . 14 C H1' . 27226 1 101 . 1 . 1 14 14 C H5 H 1 5.184 0.000 . 1 . . . . . 14 C H5 . 27226 1 102 . 1 . 1 14 14 C H6 H 1 7.436 0.000 . 1 . . . . . 14 C H6 . 27226 1 103 . 1 . 1 14 14 C H41 H 1 8.486 0.000 . 1 . . . . . 14 C H41 . 27226 1 104 . 1 . 1 14 14 C H42 H 1 6.874 0.000 . 1 . . . . . 14 C H42 . 27226 1 105 . 1 . 1 14 14 C C1' C 13 93.794 0.000 . 1 . . . . . 14 C C1' . 27226 1 106 . 1 . 1 14 14 C C5 C 13 97.304 0.000 . 1 . . . . . 14 C C5 . 27226 1 107 . 1 . 1 14 14 C C6 C 13 140.394 0.000 . 1 . . . . . 14 C C6 . 27226 1 108 . 1 . 1 14 14 C N1 N 15 151.171 0.002 . 1 . . . . . 14 C N1 . 27226 1 109 . 1 . 1 14 14 C N3 N 15 195.951 0.000 . 1 . . . . . 14 C N3 . 27226 1 110 . 1 . 1 14 14 C N4 N 15 99.576 0.000 . 1 . . . . . 14 C N4 . 27226 1 111 . 1 . 1 15 15 U H1' H 1 5.618 0.000 . 1 . . . . . 15 U H1' . 27226 1 112 . 1 . 1 15 15 U H3 H 1 11.660 0.000 . 1 . . . . . 15 U H3 . 27226 1 113 . 1 . 1 15 15 U H5 H 1 5.701 0.000 . 1 . . . . . 15 U H5 . 27226 1 114 . 1 . 1 15 15 U H6 H 1 7.724 0.000 . 1 . . . . . 15 U H6 . 27226 1 115 . 1 . 1 15 15 U C1' C 13 94.505 0.000 . 1 . . . . . 15 U C1' . 27226 1 116 . 1 . 1 15 15 U C5 C 13 105.112 0.000 . 1 . . . . . 15 U C5 . 27226 1 117 . 1 . 1 15 15 U C6 C 13 140.595 0.000 . 1 . . . . . 15 U C6 . 27226 1 118 . 1 . 1 15 15 U N1 N 15 146.895 0.001 . 1 . . . . . 15 U N1 . 27226 1 119 . 1 . 1 15 15 U N3 N 15 159.769 0.000 . 1 . . . . . 15 U N3 . 27226 1 120 . 1 . 1 16 16 U H1' H 1 6.072 0.000 . 1 . . . . . 16 U H1' . 27226 1 121 . 1 . 1 16 16 U H5 H 1 5.833 0.000 . 1 . . . . . 16 U H5 . 27226 1 122 . 1 . 1 16 16 U H6 H 1 7.993 0.000 . 1 . . . . . 16 U H6 . 27226 1 123 . 1 . 1 16 16 U C1' C 13 89.202 0.000 . 1 . . . . . 16 U C1' . 27226 1 124 . 1 . 1 16 16 U C5 C 13 105.503 0.000 . 1 . . . . . 16 U C5 . 27226 1 125 . 1 . 1 16 16 U C6 C 13 144.671 0.000 . 1 . . . . . 16 U C6 . 27226 1 126 . 1 . 1 16 16 U N1 N 15 143.894 0.001 . 1 . . . . . 16 U N1 . 27226 1 127 . 1 . 1 17 17 C H1' H 1 5.929 0.000 . 1 . . . . . 17 C H1' . 27226 1 128 . 1 . 1 17 17 C H5 H 1 6.099 0.000 . 1 . . . . . 17 C H5 . 27226 1 129 . 1 . 1 17 17 C H6 H 1 7.661 0.003 . 1 . . . . . 17 C H6 . 27226 1 130 . 1 . 1 17 17 C H41 H 1 7.114 0.000 . 1 . . . . . 17 C H41 . 27226 1 131 . 1 . 1 17 17 C H42 H 1 6.262 0.000 . 1 . . . . . 17 C H42 . 27226 1 132 . 1 . 1 17 17 C C1' C 13 89.070 0.000 . 1 . . . . . 17 C C1' . 27226 1 133 . 1 . 1 17 17 C C5 C 13 98.641 0.000 . 1 . . . . . 17 C C5 . 27226 1 134 . 1 . 1 17 17 C C6 C 13 142.786 0.000 . 1 . . . . . 17 C C6 . 27226 1 135 . 1 . 1 17 17 C N1 N 15 150.630 0.002 . 1 . . . . . 17 C N1 . 27226 1 136 . 1 . 1 17 17 C N4 N 15 93.727 0.008 . 1 . . . . . 17 C N4 . 27226 1 137 . 1 . 1 18 18 G H1 H 1 9.852 0.000 . 1 . . . . . 18 G H1 . 27226 1 138 . 1 . 1 18 18 G H1' H 1 5.935 0.000 . 1 . . . . . 18 G H1' . 27226 1 139 . 1 . 1 18 18 G H8 H 1 7.835 0.000 . 1 . . . . . 18 G H8 . 27226 1 140 . 1 . 1 18 18 G C1' C 13 94.548 0.000 . 1 . . . . . 18 G C1' . 27226 1 141 . 1 . 1 18 18 G C8 C 13 142.907 0.000 . 1 . . . . . 18 G C8 . 27226 1 142 . 1 . 1 18 18 G N1 N 15 143.312 0.000 . 1 . . . . . 18 G N1 . 27226 1 143 . 1 . 1 18 18 G N9 N 15 171.681 0.001 . 1 . . . . . 18 G N9 . 27226 1 144 . 1 . 1 19 19 G H1 H 1 13.343 0.001 . 1 . . . . . 19 G H1 . 27226 1 145 . 1 . 1 19 19 G H1' H 1 4.335 0.000 . 1 . . . . . 19 G H1' . 27226 1 146 . 1 . 1 19 19 G H8 H 1 8.268 0.000 . 1 . . . . . 19 G H8 . 27226 1 147 . 1 . 1 19 19 G C1' C 13 90.498 0.000 . 1 . . . . . 19 G C1' . 27226 1 148 . 1 . 1 19 19 G C8 C 13 138.828 0.000 . 1 . . . . . 19 G C8 . 27226 1 149 . 1 . 1 19 19 G N1 N 15 148.270 0.000 . 1 . . . . . 19 G N1 . 27226 1 150 . 1 . 1 19 19 G N9 N 15 170.322 0.000 . 1 . . . . . 19 G N9 . 27226 1 151 . 1 . 1 20 20 C H1' H 1 5.470 0.000 . 1 . . . . . 20 C H1' . 27226 1 152 . 1 . 1 20 20 C H41 H 1 8.583 0.000 . 1 . . . . . 20 C H41 . 27226 1 153 . 1 . 1 20 20 C H42 H 1 6.824 0.000 . 1 . . . . . 20 C H42 . 27226 1 154 . 1 . 1 20 20 C C1' C 13 93.904 0.000 . 1 . . . . . 20 C C1' . 27226 1 155 . 1 . 1 20 20 C N1 N 15 151.097 0.000 . 1 . . . . . 20 C N1 . 27226 1 156 . 1 . 1 20 20 C N3 N 15 197.147 0.000 . 1 . . . . . 20 C N3 . 27226 1 157 . 1 . 1 20 20 C N4 N 15 97.650 0.005 . 1 . . . . . 20 C N4 . 27226 1 158 . 1 . 1 21 21 A H1' H 1 5.940 0.000 . 1 . . . . . 21 A H1' . 27226 1 159 . 1 . 1 21 21 A H2 H 1 7.080 0.000 . 1 . . . . . 21 A H2 . 27226 1 160 . 1 . 1 21 21 A H8 H 1 7.982 0.000 . 1 . . . . . 21 A H8 . 27226 1 161 . 1 . 1 21 21 A C1' C 13 93.021 0.000 . 1 . . . . . 21 A C1' . 27226 1 162 . 1 . 1 21 21 A C2 C 13 152.461 0.000 . 1 . . . . . 21 A C2 . 27226 1 163 . 1 . 1 21 21 A C8 C 13 139.449 0.000 . 1 . . . . . 21 A C8 . 27226 1 164 . 1 . 1 21 21 A N1 N 15 220.462 0.000 . 1 . . . . . 21 A N1 . 27226 1 165 . 1 . 1 21 21 A N9 N 15 170.532 0.001 . 1 . . . . . 21 A N9 . 27226 1 166 . 1 . 1 22 22 G H1 H 1 13.492 0.000 . 1 . . . . . 22 G H1 . 27226 1 167 . 1 . 1 22 22 G H1' H 1 5.590 0.000 . 1 . . . . . 22 G H1' . 27226 1 168 . 1 . 1 22 22 G H8 H 1 7.206 0.001 . 1 . . . . . 22 G H8 . 27226 1 169 . 1 . 1 22 22 G C1' C 13 92.901 0.000 . 1 . . . . . 22 G C1' . 27226 1 170 . 1 . 1 22 22 G C8 C 13 136.008 0.000 . 1 . . . . . 22 G C8 . 27226 1 171 . 1 . 1 22 22 G N1 N 15 148.209 0.000 . 1 . . . . . 22 G N1 . 27226 1 172 . 1 . 1 22 22 G N9 N 15 168.981 0.000 . 1 . . . . . 22 G N9 . 27226 1 173 . 1 . 1 23 23 U H1' H 1 5.880 0.000 . 1 . . . . . 23 U H1' . 27226 1 174 . 1 . 1 23 23 U H6 H 1 7.570 0.000 . 1 . . . . . 23 U H6 . 27226 1 175 . 1 . 1 23 23 U C1' C 13 92.135 0.000 . 1 . . . . . 23 U C1' . 27226 1 176 . 1 . 1 23 23 U C6 C 13 141.963 0.000 . 1 . . . . . 23 U C6 . 27226 1 177 . 1 . 1 23 23 U N1 N 15 145.592 0.002 . 1 . . . . . 23 U N1 . 27226 1 178 . 1 . 1 24 24 G H1 H 1 12.948 0.003 . 1 . . . . . 24 G H1 . 27226 1 179 . 1 . 1 24 24 G H1' H 1 5.748 0.000 . 1 . . . . . 24 G H1' . 27226 1 180 . 1 . 1 24 24 G H8 H 1 7.935 0.000 . 1 . . . . . 24 G H8 . 27226 1 181 . 1 . 1 24 24 G C1' C 13 92.663 0.000 . 1 . . . . . 24 G C1' . 27226 1 182 . 1 . 1 24 24 G C8 C 13 138.397 0.000 . 1 . . . . . 24 G C8 . 27226 1 183 . 1 . 1 24 24 G N1 N 15 148.122 0.000 . 1 . . . . . 24 G N1 . 27226 1 184 . 1 . 1 24 24 G N9 N 15 168.938 0.003 . 1 . . . . . 24 G N9 . 27226 1 185 . 1 . 1 25 25 U H1' H 1 5.588 0.000 . 1 . . . . . 25 U H1' . 27226 1 186 . 1 . 1 25 25 U H3 H 1 13.562 0.038 . 1 . . . . . 25 U H3 . 27226 1 187 . 1 . 1 25 25 U H6 H 1 7.816 0.001 . 1 . . . . . 25 U H6 . 27226 1 188 . 1 . 1 25 25 U C1' C 13 93.545 0.000 . 1 . . . . . 25 U C1' . 27226 1 189 . 1 . 1 25 25 U C6 C 13 141.872 0.000 . 1 . . . . . 25 U C6 . 27226 1 190 . 1 . 1 25 25 U N1 N 15 146.310 0.002 . 1 . . . . . 25 U N1 . 27226 1 191 . 1 . 1 25 25 U N3 N 15 162.222 0.000 . 1 . . . . . 25 U N3 . 27226 1 192 . 1 . 1 26 26 G H1 H 1 12.594 0.007 . 1 . . . . . 26 G H1 . 27226 1 193 . 1 . 1 26 26 G H1' H 1 5.805 0.000 . 1 . . . . . 26 G H1' . 27226 1 194 . 1 . 1 26 26 G H8 H 1 7.729 0.000 . 1 . . . . . 26 G H8 . 27226 1 195 . 1 . 1 26 26 G C1' C 13 92.770 0.000 . 1 . . . . . 26 G C1' . 27226 1 196 . 1 . 1 26 26 G C8 C 13 136.198 0.000 . 1 . . . . . 26 G C8 . 27226 1 197 . 1 . 1 26 26 G N1 N 15 147.627 0.000 . 1 . . . . . 26 G N1 . 27226 1 198 . 1 . 1 26 26 G N9 N 15 169.607 0.005 . 1 . . . . . 26 G N9 . 27226 1 199 . 1 . 1 27 27 C H1' H 1 5.449 0.000 . 1 . . . . . 27 C H1' . 27226 1 200 . 1 . 1 27 27 C H5 H 1 5.231 0.000 . 1 . . . . . 27 C H5 . 27226 1 201 . 1 . 1 27 27 C H41 H 1 8.540 0.000 . 1 . . . . . 27 C H41 . 27226 1 202 . 1 . 1 27 27 C H42 H 1 6.868 0.000 . 1 . . . . . 27 C H42 . 27226 1 203 . 1 . 1 27 27 C C1' C 13 94.067 0.000 . 1 . . . . . 27 C C1' . 27226 1 204 . 1 . 1 27 27 C C5 C 13 97.222 0.000 . 1 . . . . . 27 C C5 . 27226 1 205 . 1 . 1 27 27 C N1 N 15 151.228 0.000 . 1 . . . . . 27 C N1 . 27226 1 206 . 1 . 1 27 27 C N3 N 15 198.027 0.000 . 1 . . . . . 27 C N3 . 27226 1 207 . 1 . 1 27 27 C N4 N 15 99.428 0.001 . 1 . . . . . 27 C N4 . 27226 1 208 . 1 . 1 28 28 C H1' H 1 5.724 0.000 . 1 . . . . . 28 C H1' . 27226 1 209 . 1 . 1 28 28 C H6 H 1 7.631 0.000 . 1 . . . . . 28 C H6 . 27226 1 210 . 1 . 1 28 28 C H41 H 1 8.369 0.000 . 1 . . . . . 28 C H41 . 27226 1 211 . 1 . 1 28 28 C H42 H 1 6.969 0.000 . 1 . . . . . 28 C H42 . 27226 1 212 . 1 . 1 28 28 C C1' C 13 92.938 0.000 . 1 . . . . . 28 C C1' . 27226 1 213 . 1 . 1 28 28 C C6 C 13 141.665 0.000 . 1 . . . . . 28 C C6 . 27226 1 214 . 1 . 1 28 28 C N1 N 15 152.527 0.001 . 1 . . . . . 28 C N1 . 27226 1 215 . 1 . 1 28 28 C N4 N 15 97.559 0.005 . 1 . . . . . 28 C N4 . 27226 1 stop_ save_