################################### # 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 34670 _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 $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 NOESY' . . . 34670 1 3 '2D 1H-13C HSQC' . . . 34670 1 4 '2D 1H-13C HMBC' . . . 34670 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 . . 34670 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 C H1' H 1 5.505 0.003 . . . . . . A 1 C H1' . 34670 1 2 . 1 . 1 1 1 C H2' H 1 3.909 0.004 . . . . . . A 1 C H2' . 34670 1 3 . 1 . 1 1 1 C H3' H 1 4.215 0.003 . . . . . . A 1 C H3' . 34670 1 4 . 1 . 1 1 1 C H4' H 1 3.968 0.004 . . . . . . A 1 C H4' . 34670 1 5 . 1 . 1 1 1 C H5 H 1 5.620 0.006 . . . . . . A 1 C H5 . 34670 1 6 . 1 . 1 1 1 C H5' H 1 3.562 0.006 . . . . . . A 1 C H5' . 34670 1 7 . 1 . 1 1 1 C H5'' H 1 3.494 0.004 . . . . . . A 1 C H5'' . 34670 1 8 . 1 . 1 1 1 C H6 H 1 7.380 0.013 . . . . . . A 1 C H6 . 34670 1 9 . 1 . 1 1 1 C C1' C 13 89.600 0.000 . . . . . . A 1 C C1' . 34670 1 10 . 1 . 1 1 1 C C2' C 13 73.122 0.000 . . . . . . A 1 C C2' . 34670 1 11 . 1 . 1 1 1 C C3' C 13 72.331 0.000 . . . . . . A 1 C C3' . 34670 1 12 . 1 . 1 1 1 C C4' C 13 83.495 0.000 . . . . . . A 1 C C4' . 34670 1 13 . 1 . 1 1 1 C C5 C 13 95.868 0.000 . . . . . . A 1 C C5 . 34670 1 14 . 1 . 1 1 1 C C5' C 13 60.698 0.014 . . . . . . A 1 C C5' . 34670 1 15 . 1 . 1 1 1 C C6 C 13 140.382 0.000 . . . . . . A 1 C C6 . 34670 1 16 . 1 . 1 2 2 A H1' H 1 5.584 0.003 . . . . . . A 2 A H1' . 34670 1 17 . 1 . 1 2 2 A H2 H 1 7.934 0.003 . . . . . . A 2 A H2 . 34670 1 18 . 1 . 1 2 2 A H2' H 1 4.412 0.002 . . . . . . A 2 A H2' . 34670 1 19 . 1 . 1 2 2 A H3' H 1 4.704 0.001 . . . . . . A 2 A H3' . 34670 1 20 . 1 . 1 2 2 A H4' H 1 4.378 0.003 . . . . . . A 2 A H4' . 34670 1 21 . 1 . 1 2 2 A H5' H 1 3.984 0.004 . . . . . . A 2 A H5' . 34670 1 22 . 1 . 1 2 2 A H5'' H 1 3.909 0.003 . . . . . . A 2 A H5'' . 34670 1 23 . 1 . 1 2 2 A H8 H 1 8.038 0.004 . . . . . . A 2 A H8 . 34670 1 24 . 1 . 1 2 2 A C1' C 13 87.281 0.000 . . . . . . A 2 A C1' . 34670 1 25 . 1 . 1 2 2 A C2 C 13 152.460 0.000 . . . . . . A 2 A C2 . 34670 1 26 . 1 . 1 2 2 A C3' C 13 73.854 0.000 . . . . . . A 2 A C3' . 34670 1 27 . 1 . 1 2 2 A C4' C 13 82.397 0.000 . . . . . . A 2 A C4' . 34670 1 28 . 1 . 1 2 2 A C5' C 13 64.990 0.010 . . . . . . A 2 A C5' . 34670 1 29 . 1 . 1 2 2 A C8 C 13 140.953 0.000 . . . . . . A 2 A C8 . 34670 1 30 . 1 . 1 3 3 G H1 H 1 11.811 0.004 . . . . . . A 3 G H1 . 34670 1 31 . 1 . 1 3 3 G H1' H 1 5.838 0.003 . . . . . . A 3 G H1' . 34670 1 32 . 1 . 1 3 3 G H2' H 1 5.001 0.005 . . . . . . A 3 G H2' . 34670 1 33 . 1 . 1 3 3 G H3' H 1 4.933 0.003 . . . . . . A 3 G H3' . 34670 1 34 . 1 . 1 3 3 G H4' H 1 4.585 0.004 . . . . . . A 3 G H4' . 34670 1 35 . 1 . 1 3 3 G H5' H 1 4.255 0.002 . . . . . . A 3 G H5' . 34670 1 36 . 1 . 1 3 3 G H5'' H 1 4.205 0.002 . . . . . . A 3 G H5'' . 34670 1 37 . 1 . 1 3 3 G H8 H 1 8.075 0.002 . . . . . . A 3 G H8 . 34670 1 38 . 1 . 1 3 3 G C1' C 13 84.608 0.000 . . . . . . A 3 G C1' . 34670 1 39 . 1 . 1 3 3 G C2' C 13 72.182 0.000 . . . . . . A 3 G C2' . 34670 1 40 . 1 . 1 3 3 G C4' C 13 80.081 0.000 . . . . . . A 3 G C4' . 34670 1 41 . 1 . 1 3 3 G C5 C 13 115.335 0.004 . . . . . . A 3 G C5 . 34670 1 42 . 1 . 1 3 3 G C8 C 13 135.079 0.000 . . . . . . A 3 G C8 . 34670 1 43 . 1 . 1 3 3 G N1 N 15 144.238 0.000 . . . . . . A 3 G N1 . 34670 1 44 . 1 . 1 4 4 G H1 H 1 11.175 0.003 . . . . . . A 4 G H1 . 34670 1 45 . 1 . 1 4 4 G H1' H 1 5.892 0.003 . . . . . . A 4 G H1' . 34670 1 46 . 1 . 1 4 4 G H2' H 1 4.852 0.001 . . . . . . A 4 G H2' . 34670 1 47 . 1 . 1 4 4 G H3' H 1 4.730 0.002 . . . . . . A 4 G H3' . 34670 1 48 . 1 . 1 4 4 G H8 H 1 7.916 0.003 . . . . . . A 4 G H8 . 34670 1 49 . 1 . 1 4 4 G H21 H 1 9.222 0.005 . . . . . . A 4 G H21 . 34670 1 50 . 1 . 1 4 4 G C1' C 13 87.942 0.000 . . . . . . A 4 G C1' . 34670 1 51 . 1 . 1 4 4 G C2' C 13 72.108 0.000 . . . . . . A 4 G C2' . 34670 1 52 . 1 . 1 4 4 G C3' C 13 73.474 0.000 . . . . . . A 4 G C3' . 34670 1 53 . 1 . 1 4 4 G C5 C 13 114.594 0.005 . . . . . . A 4 G C5 . 34670 1 54 . 1 . 1 4 4 G C8 C 13 135.514 0.000 . . . . . . A 4 G C8 . 34670 1 55 . 1 . 1 4 4 G N1 N 15 142.195 0.000 . . . . . . A 4 G N1 . 34670 1 56 . 1 . 1 5 5 G H1 H 1 11.143 0.003 . . . . . . A 5 G H1 . 34670 1 57 . 1 . 1 5 5 G H1' H 1 6.128 0.006 . . . . . . A 5 G H1' . 34670 1 58 . 1 . 1 5 5 G H2' H 1 4.778 0.000 . . . . . . A 5 G H2' . 34670 1 59 . 1 . 1 5 5 G H3' H 1 5.069 0.003 . . . . . . A 5 G H3' . 34670 1 60 . 1 . 1 5 5 G H4' H 1 4.292 0.001 . . . . . . A 5 G H4' . 34670 1 61 . 1 . 1 5 5 G H5' H 1 4.736 0.002 . . . . . . A 5 G H5' . 34670 1 62 . 1 . 1 5 5 G H5'' H 1 4.697 0.003 . . . . . . A 5 G H5'' . 34670 1 63 . 1 . 1 5 5 G H8 H 1 7.676 0.002 . . . . . . A 5 G H8 . 34670 1 64 . 1 . 1 5 5 G C1' C 13 85.589 0.000 . . . . . . A 5 G C1' . 34670 1 65 . 1 . 1 5 5 G C2' C 13 74.292 0.000 . . . . . . A 5 G C2' . 34670 1 66 . 1 . 1 5 5 G C3' C 13 77.745 0.000 . . . . . . A 5 G C3' . 34670 1 67 . 1 . 1 5 5 G C4' C 13 83.428 0.000 . . . . . . A 5 G C4' . 34670 1 68 . 1 . 1 5 5 G C5 C 13 113.511 0.000 . . . . . . A 5 G C5 . 34670 1 69 . 1 . 1 5 5 G C8 C 13 136.347 0.000 . . . . . . A 5 G C8 . 34670 1 70 . 1 . 1 5 5 G N1 N 15 144.629 0.000 . . . . . . A 5 G N1 . 34670 1 71 . 1 . 1 6 6 A H1' H 1 6.342 0.003 . . . . . . A 6 A H1' . 34670 1 72 . 1 . 1 6 6 A H2 H 1 8.368 0.002 . . . . . . A 6 A H2 . 34670 1 73 . 1 . 1 6 6 A H2' H 1 4.997 0.004 . . . . . . A 6 A H2' . 34670 1 74 . 1 . 1 6 6 A H3' H 1 5.086 0.004 . . . . . . A 6 A H3' . 34670 1 75 . 1 . 1 6 6 A H4' H 1 4.845 0.003 . . . . . . A 6 A H4' . 34670 1 76 . 1 . 1 6 6 A H5' H 1 4.523 0.004 . . . . . . A 6 A H5' . 34670 1 77 . 1 . 1 6 6 A H5'' H 1 4.399 0.002 . . . . . . A 6 A H5'' . 34670 1 78 . 1 . 1 6 6 A H8 H 1 8.622 0.001 . . . . . . A 6 A H8 . 34670 1 79 . 1 . 1 6 6 A C1' C 13 85.796 0.000 . . . . . . A 6 A C1' . 34670 1 80 . 1 . 1 6 6 A C2 C 13 153.262 0.000 . . . . . . A 6 A C2 . 34670 1 81 . 1 . 1 6 6 A C2' C 13 74.614 0.000 . . . . . . A 6 A C2' . 34670 1 82 . 1 . 1 6 6 A C3' C 13 77.319 0.000 . . . . . . A 6 A C3' . 34670 1 83 . 1 . 1 6 6 A C4' C 13 83.986 0.000 . . . . . . A 6 A C4' . 34670 1 84 . 1 . 1 6 6 A C8 C 13 139.653 0.000 . . . . . . A 6 A C8 . 34670 1 85 . 1 . 1 7 7 G H1 H 1 11.605 0.004 . . . . . . A 7 G H1 . 34670 1 86 . 1 . 1 7 7 G H1' H 1 5.726 0.014 . . . . . . A 7 G H1' . 34670 1 87 . 1 . 1 7 7 G H2' H 1 4.711 0.000 . . . . . . A 7 G H2' . 34670 1 88 . 1 . 1 7 7 G H3' H 1 4.896 0.007 . . . . . . A 7 G H3' . 34670 1 89 . 1 . 1 7 7 G H4' H 1 4.563 0.003 . . . . . . A 7 G H4' . 34670 1 90 . 1 . 1 7 7 G H5' H 1 4.393 0.000 . . . . . . A 7 G H5' . 34670 1 91 . 1 . 1 7 7 G H5'' H 1 4.245 0.000 . . . . . . A 7 G H5'' . 34670 1 92 . 1 . 1 7 7 G H8 H 1 7.864 0.001 . . . . . . A 7 G H8 . 34670 1 93 . 1 . 1 7 7 G C1' C 13 87.788 0.000 . . . . . . A 7 G C1' . 34670 1 94 . 1 . 1 7 7 G C2' C 13 72.803 0.000 . . . . . . A 7 G C2' . 34670 1 95 . 1 . 1 7 7 G C5 C 13 116.358 0.005 . . . . . . A 7 G C5 . 34670 1 96 . 1 . 1 7 7 G C8 C 13 135.165 0.000 . . . . . . A 7 G C8 . 34670 1 97 . 1 . 1 7 7 G N1 N 15 144.463 0.000 . . . . . . A 7 G N1 . 34670 1 98 . 1 . 1 8 8 G H1 H 1 11.528 0.004 . . . . . . A 8 G H1 . 34670 1 99 . 1 . 1 8 8 G H1' H 1 5.948 0.003 . . . . . . A 8 G H1' . 34670 1 100 . 1 . 1 8 8 G H2' H 1 4.871 0.003 . . . . . . A 8 G H2' . 34670 1 101 . 1 . 1 8 8 G H3' H 1 4.959 0.002 . . . . . . A 8 G H3' . 34670 1 102 . 1 . 1 8 8 G H4' H 1 4.648 0.001 . . . . . . A 8 G H4' . 34670 1 103 . 1 . 1 8 8 G H5' H 1 4.252 0.001 . . . . . . A 8 G H5' . 34670 1 104 . 1 . 1 8 8 G H5'' H 1 4.229 0.000 . . . . . . A 8 G H5'' . 34670 1 105 . 1 . 1 8 8 G H8 H 1 8.026 0.003 . . . . . . A 8 G H8 . 34670 1 106 . 1 . 1 8 8 G C1' C 13 85.739 0.000 . . . . . . A 8 G C1' . 34670 1 107 . 1 . 1 8 8 G C2' C 13 76.710 0.000 . . . . . . A 8 G C2' . 34670 1 108 . 1 . 1 8 8 G C3' C 13 75.089 0.000 . . . . . . A 8 G C3' . 34670 1 109 . 1 . 1 8 8 G C4' C 13 81.679 0.000 . . . . . . A 8 G C4' . 34670 1 110 . 1 . 1 8 8 G C5 C 13 114.403 0.010 . . . . . . A 8 G C5 . 34670 1 111 . 1 . 1 8 8 G C8 C 13 135.775 0.000 . . . . . . A 8 G C8 . 34670 1 112 . 1 . 1 8 8 G N1 N 15 143.456 0.000 . . . . . . A 8 G N1 . 34670 1 113 . 1 . 1 9 9 U H1' H 1 6.086 0.004 . . . . . . A 9 U H1' . 34670 1 114 . 1 . 1 9 9 U H2' H 1 4.571 0.003 . . . . . . A 9 U H2' . 34670 1 115 . 1 . 1 9 9 U H3' H 1 4.732 0.003 . . . . . . A 9 U H3' . 34670 1 116 . 1 . 1 9 9 U H4' H 1 4.498 0.004 . . . . . . A 9 U H4' . 34670 1 117 . 1 . 1 9 9 U H5 H 1 5.982 0.005 . . . . . . A 9 U H5 . 34670 1 118 . 1 . 1 9 9 U H5' H 1 4.270 0.002 . . . . . . A 9 U H5' . 34670 1 119 . 1 . 1 9 9 U H5'' H 1 4.208 0.001 . . . . . . A 9 U H5'' . 34670 1 120 . 1 . 1 9 9 U H6 H 1 7.889 0.000 . . . . . . A 9 U H6 . 34670 1 121 . 1 . 1 9 9 U C1' C 13 87.251 0.000 . . . . . . A 9 U C1' . 34670 1 122 . 1 . 1 9 9 U C2' C 13 72.335 0.000 . . . . . . A 9 U C2' . 34670 1 123 . 1 . 1 9 9 U C3' C 13 74.589 0.000 . . . . . . A 9 U C3' . 34670 1 124 . 1 . 1 9 9 U C4' C 13 84.029 0.000 . . . . . . A 9 U C4' . 34670 1 125 . 1 . 1 9 9 U C5 C 13 103.048 0.000 . . . . . . A 9 U C5 . 34670 1 126 . 1 . 1 9 9 U C6 C 13 141.930 0.000 . . . . . . A 9 U C6 . 34670 1 127 . 1 . 1 10 10 G H1' H 1 5.578 0.003 . . . . . . A 10 G H1' . 34670 1 128 . 1 . 1 10 10 G H2' H 1 4.059 0.003 . . . . . . A 10 G H2' . 34670 1 129 . 1 . 1 10 10 G H3' H 1 4.533 0.003 . . . . . . A 10 G H3' . 34670 1 130 . 1 . 1 10 10 G H4' H 1 3.583 0.005 . . . . . . A 10 G H4' . 34670 1 131 . 1 . 1 10 10 G H5' H 1 4.235 0.004 . . . . . . A 10 G H5' . 34670 1 132 . 1 . 1 10 10 G H5'' H 1 3.986 0.003 . . . . . . A 10 G H5'' . 34670 1 133 . 1 . 1 10 10 G H8 H 1 7.847 0.004 . . . . . . A 10 G H8 . 34670 1 134 . 1 . 1 10 10 G C1' C 13 84.916 0.000 . . . . . . A 10 G C1' . 34670 1 135 . 1 . 1 10 10 G C2' C 13 76.551 0.000 . . . . . . A 10 G C2' . 34670 1 136 . 1 . 1 10 10 G C3' C 13 76.583 0.000 . . . . . . A 10 G C3' . 34670 1 137 . 1 . 1 10 10 G C4' C 13 83.716 0.000 . . . . . . A 10 G C4' . 34670 1 138 . 1 . 1 10 10 G C5 C 13 113.907 0.000 . . . . . . A 10 G C5 . 34670 1 139 . 1 . 1 10 10 G C5' C 13 65.932 0.010 . . . . . . A 10 G C5' . 34670 1 140 . 1 . 1 10 10 G C8 C 13 136.228 0.000 . . . . . . A 10 G C8 . 34670 1 141 . 1 . 1 11 11 U H1' H 1 5.626 0.002 . . . . . . A 11 U H1' . 34670 1 142 . 1 . 1 11 11 U H2' H 1 3.935 0.004 . . . . . . A 11 U H2' . 34670 1 143 . 1 . 1 11 11 U H3' H 1 4.435 0.003 . . . . . . A 11 U H3' . 34670 1 144 . 1 . 1 11 11 U H4' H 1 4.212 0.004 . . . . . . A 11 U H4' . 34670 1 145 . 1 . 1 11 11 U H5 H 1 5.606 0.003 . . . . . . A 11 U H5 . 34670 1 146 . 1 . 1 11 11 U H5' H 1 3.487 0.006 . . . . . . A 11 U H5' . 34670 1 147 . 1 . 1 11 11 U H5'' H 1 2.756 0.003 . . . . . . A 11 U H5'' . 34670 1 148 . 1 . 1 11 11 U H6 H 1 7.412 0.011 . . . . . . A 11 U H6 . 34670 1 149 . 1 . 1 11 11 U C1' C 13 87.211 0.000 . . . . . . A 11 U C1' . 34670 1 150 . 1 . 1 11 11 U C2' C 13 75.460 0.000 . . . . . . A 11 U C2' . 34670 1 151 . 1 . 1 11 11 U C3' C 13 75.726 0.000 . . . . . . A 11 U C3' . 34670 1 152 . 1 . 1 11 11 U C4' C 13 83.197 0.000 . . . . . . A 11 U C4' . 34670 1 153 . 1 . 1 11 11 U C5 C 13 101.328 0.000 . . . . . . A 11 U C5 . 34670 1 154 . 1 . 1 11 11 U C5' C 13 64.538 0.002 . . . . . . A 11 U C5' . 34670 1 155 . 1 . 1 11 11 U C6 C 13 141.257 0.000 . . . . . . A 11 U C6 . 34670 1 156 . 1 . 1 12 12 G H1 H 1 11.338 0.003 . . . . . . A 12 G H1 . 34670 1 157 . 1 . 1 12 12 G H1' H 1 5.947 0.006 . . . . . . A 12 G H1' . 34670 1 158 . 1 . 1 12 12 G H2' H 1 4.957 0.002 . . . . . . A 12 G H2' . 34670 1 159 . 1 . 1 12 12 G H3' H 1 4.731 0.000 . . . . . . A 12 G H3' . 34670 1 160 . 1 . 1 12 12 G H4' H 1 4.387 0.000 . . . . . . A 12 G H4' . 34670 1 161 . 1 . 1 12 12 G H5' H 1 4.213 0.000 . . . . . . A 12 G H5' . 34670 1 162 . 1 . 1 12 12 G H5'' H 1 4.230 0.000 . . . . . . A 12 G H5'' . 34670 1 163 . 1 . 1 12 12 G H8 H 1 8.037 0.003 . . . . . . A 12 G H8 . 34670 1 164 . 1 . 1 12 12 G C1' C 13 87.892 0.000 . . . . . . A 12 G C1' . 34670 1 165 . 1 . 1 12 12 G C2' C 13 74.847 0.000 . . . . . . A 12 G C2' . 34670 1 166 . 1 . 1 12 12 G C5 C 13 116.182 0.000 . . . . . . A 12 G C5 . 34670 1 167 . 1 . 1 12 12 G C8 C 13 138.678 0.000 . . . . . . A 12 G C8 . 34670 1 168 . 1 . 1 12 12 G N1 N 15 144.228 0.000 . . . . . . A 12 G N1 . 34670 1 169 . 1 . 1 13 13 G H1' H 1 6.052 0.003 . . . . . . A 13 G H1' . 34670 1 170 . 1 . 1 13 13 G H2' H 1 5.018 0.003 . . . . . . A 13 G H2' . 34670 1 171 . 1 . 1 13 13 G H3' H 1 4.918 0.004 . . . . . . A 13 G H3' . 34670 1 172 . 1 . 1 13 13 G H4' H 1 4.738 0.003 . . . . . . A 13 G H4' . 34670 1 173 . 1 . 1 13 13 G H5' H 1 4.472 0.005 . . . . . . A 13 G H5' . 34670 1 174 . 1 . 1 13 13 G H5'' H 1 4.382 0.003 . . . . . . A 13 G H5'' . 34670 1 175 . 1 . 1 13 13 G H8 H 1 8.216 0.003 . . . . . . A 13 G H8 . 34670 1 176 . 1 . 1 13 13 G C1' C 13 88.191 0.000 . . . . . . A 13 G C1' . 34670 1 177 . 1 . 1 13 13 G C2' C 13 72.732 0.000 . . . . . . A 13 G C2' . 34670 1 178 . 1 . 1 13 13 G C3' C 13 74.311 0.000 . . . . . . A 13 G C3' . 34670 1 179 . 1 . 1 13 13 G C4' C 13 82.461 0.000 . . . . . . A 13 G C4' . 34670 1 180 . 1 . 1 13 13 G C5 C 13 116.778 0.000 . . . . . . A 13 G C5 . 34670 1 181 . 1 . 1 13 13 G C8 C 13 137.850 0.000 . . . . . . A 13 G C8 . 34670 1 182 . 1 . 1 14 14 C H1' H 1 6.035 0.003 . . . . . . A 14 C H1' . 34670 1 183 . 1 . 1 14 14 C H2' H 1 4.448 0.001 . . . . . . A 14 C H2' . 34670 1 184 . 1 . 1 14 14 C H3' H 1 4.730 0.004 . . . . . . A 14 C H3' . 34670 1 185 . 1 . 1 14 14 C H4' H 1 4.537 0.011 . . . . . . A 14 C H4' . 34670 1 186 . 1 . 1 14 14 C H5 H 1 5.936 0.005 . . . . . . A 14 C H5 . 34670 1 187 . 1 . 1 14 14 C H5' H 1 4.298 0.001 . . . . . . A 14 C H5' . 34670 1 188 . 1 . 1 14 14 C H5'' H 1 4.472 0.002 . . . . . . A 14 C H5'' . 34670 1 189 . 1 . 1 14 14 C H6 H 1 7.903 0.001 . . . . . . A 14 C H6 . 34670 1 190 . 1 . 1 14 14 C C1' C 13 89.431 0.000 . . . . . . A 14 C C1' . 34670 1 191 . 1 . 1 14 14 C C2' C 13 75.726 0.000 . . . . . . A 14 C C2' . 34670 1 192 . 1 . 1 14 14 C C3' C 13 73.640 0.000 . . . . . . A 14 C C3' . 34670 1 193 . 1 . 1 14 14 C C4' C 13 84.966 0.000 . . . . . . A 14 C C4' . 34670 1 194 . 1 . 1 14 14 C C5 C 13 96.275 0.000 . . . . . . A 14 C C5 . 34670 1 195 . 1 . 1 14 14 C C6 C 13 141.198 0.000 . . . . . . A 14 C C6 . 34670 1 196 . 1 . 1 15 15 C H1' H 1 6.083 0.004 . . . . . . A 15 C H1' . 34670 1 197 . 1 . 1 15 15 C H2' H 1 4.418 0.001 . . . . . . A 15 C H2' . 34670 1 198 . 1 . 1 15 15 C H3' H 1 4.652 0.005 . . . . . . A 15 C H3' . 34670 1 199 . 1 . 1 15 15 C H4' H 1 4.557 0.005 . . . . . . A 15 C H4' . 34670 1 200 . 1 . 1 15 15 C H5 H 1 6.126 0.005 . . . . . . A 15 C H5 . 34670 1 201 . 1 . 1 15 15 C H5' H 1 4.379 0.003 . . . . . . A 15 C H5' . 34670 1 202 . 1 . 1 15 15 C H5'' H 1 4.226 0.000 . . . . . . A 15 C H5'' . 34670 1 203 . 1 . 1 15 15 C H6 H 1 7.916 0.001 . . . . . . A 15 C H6 . 34670 1 204 . 1 . 1 15 15 C C1' C 13 88.188 0.000 . . . . . . A 15 C C1' . 34670 1 205 . 1 . 1 15 15 C C2' C 13 73.742 0.000 . . . . . . A 15 C C2' . 34670 1 206 . 1 . 1 15 15 C C3' C 13 74.407 0.000 . . . . . . A 15 C C3' . 34670 1 207 . 1 . 1 15 15 C C4' C 13 83.896 0.000 . . . . . . A 15 C C4' . 34670 1 208 . 1 . 1 15 15 C C5 C 13 96.908 0.000 . . . . . . A 15 C C5 . 34670 1 209 . 1 . 1 15 15 C C5' C 13 67.129 0.015 . . . . . . A 15 C C5' . 34670 1 210 . 1 . 1 15 15 C C6 C 13 141.306 0.000 . . . . . . A 15 C C6 . 34670 1 211 . 1 . 1 16 16 U H1' H 1 5.784 0.003 . . . . . . A 16 U H1' . 34670 1 212 . 1 . 1 16 16 U H2' H 1 4.209 0.005 . . . . . . A 16 U H2' . 34670 1 213 . 1 . 1 16 16 U H3' H 1 4.711 0.002 . . . . . . A 16 U H3' . 34670 1 214 . 1 . 1 16 16 U H4' H 1 4.366 0.004 . . . . . . A 16 U H4' . 34670 1 215 . 1 . 1 16 16 U H5 H 1 5.730 0.003 . . . . . . A 16 U H5 . 34670 1 216 . 1 . 1 16 16 U H5' H 1 4.170 0.004 . . . . . . A 16 U H5' . 34670 1 217 . 1 . 1 16 16 U H5'' H 1 4.123 0.001 . . . . . . A 16 U H5'' . 34670 1 218 . 1 . 1 16 16 U H6 H 1 7.711 0.004 . . . . . . A 16 U H6 . 34670 1 219 . 1 . 1 16 16 U C1' C 13 88.164 0.000 . . . . . . A 16 U C1' . 34670 1 220 . 1 . 1 16 16 U C2' C 13 73.804 0.000 . . . . . . A 16 U C2' . 34670 1 221 . 1 . 1 16 16 U C3' C 13 74.867 0.000 . . . . . . A 16 U C3' . 34670 1 222 . 1 . 1 16 16 U C4' C 13 82.255 0.000 . . . . . . A 16 U C4' . 34670 1 223 . 1 . 1 16 16 U C5 C 13 102.729 0.000 . . . . . . A 16 U C5 . 34670 1 224 . 1 . 1 16 16 U C6 C 13 141.279 0.000 . . . . . . A 16 U C6 . 34670 1 225 . 1 . 1 17 17 G H1 H 1 11.971 0.003 . . . . . . A 17 G H1 . 34670 1 226 . 1 . 1 17 17 G H1' H 1 5.872 0.008 . . . . . . A 17 G H1' . 34670 1 227 . 1 . 1 17 17 G H2' H 1 5.013 0.003 . . . . . . A 17 G H2' . 34670 1 228 . 1 . 1 17 17 G H3' H 1 4.962 0.003 . . . . . . A 17 G H3' . 34670 1 229 . 1 . 1 17 17 G H4' H 1 4.590 0.003 . . . . . . A 17 G H4' . 34670 1 230 . 1 . 1 17 17 G H5' H 1 4.210 0.002 . . . . . . A 17 G H5' . 34670 1 231 . 1 . 1 17 17 G H5'' H 1 4.170 0.002 . . . . . . A 17 G H5'' . 34670 1 232 . 1 . 1 17 17 G H8 H 1 8.194 0.002 . . . . . . A 17 G H8 . 34670 1 233 . 1 . 1 17 17 G C1' C 13 83.051 0.000 . . . . . . A 17 G C1' . 34670 1 234 . 1 . 1 17 17 G C2' C 13 71.346 0.000 . . . . . . A 17 G C2' . 34670 1 235 . 1 . 1 17 17 G C3' C 13 74.702 0.000 . . . . . . A 17 G C3' . 34670 1 236 . 1 . 1 17 17 G C4' C 13 82.621 0.000 . . . . . . A 17 G C4' . 34670 1 237 . 1 . 1 17 17 G C5 C 13 115.486 0.011 . . . . . . A 17 G C5 . 34670 1 238 . 1 . 1 17 17 G C8 C 13 136.160 0.000 . . . . . . A 17 G C8 . 34670 1 239 . 1 . 1 17 17 G N1 N 15 144.554 0.000 . . . . . . A 17 G N1 . 34670 1 240 . 1 . 1 18 18 G H1 H 1 11.361 0.006 . . . . . . A 18 G H1 . 34670 1 241 . 1 . 1 18 18 G H1' H 1 5.930 0.004 . . . . . . A 18 G H1' . 34670 1 242 . 1 . 1 18 18 G H2' H 1 4.849 0.005 . . . . . . A 18 G H2' . 34670 1 243 . 1 . 1 18 18 G H3' H 1 4.750 0.001 . . . . . . A 18 G H3' . 34670 1 244 . 1 . 1 18 18 G H4' H 1 4.731 0.002 . . . . . . A 18 G H4' . 34670 1 245 . 1 . 1 18 18 G H5' H 1 4.592 0.005 . . . . . . A 18 G H5' . 34670 1 246 . 1 . 1 18 18 G H5'' H 1 4.571 0.001 . . . . . . A 18 G H5'' . 34670 1 247 . 1 . 1 18 18 G H8 H 1 7.988 0.004 . . . . . . A 18 G H8 . 34670 1 248 . 1 . 1 18 18 G C1' C 13 87.561 0.000 . . . . . . A 18 G C1' . 34670 1 249 . 1 . 1 18 18 G C2' C 13 71.950 0.000 . . . . . . A 18 G C2' . 34670 1 250 . 1 . 1 18 18 G C3' C 13 73.707 0.000 . . . . . . A 18 G C3' . 34670 1 251 . 1 . 1 18 18 G C4' C 13 81.934 0.000 . . . . . . A 18 G C4' . 34670 1 252 . 1 . 1 18 18 G C5 C 13 114.911 0.005 . . . . . . A 18 G C5 . 34670 1 253 . 1 . 1 18 18 G C5' C 13 67.058 0.009 . . . . . . A 18 G C5' . 34670 1 254 . 1 . 1 18 18 G C8 C 13 136.000 0.000 . . . . . . A 18 G C8 . 34670 1 255 . 1 . 1 18 18 G N1 N 15 142.788 0.000 . . . . . . A 18 G N1 . 34670 1 256 . 1 . 1 19 19 G H1 H 1 11.354 0.004 . . . . . . A 19 G H1 . 34670 1 257 . 1 . 1 19 19 G H1' H 1 6.201 0.006 . . . . . . A 19 G H1' . 34670 1 258 . 1 . 1 19 19 G H2' H 1 4.730 0.001 . . . . . . A 19 G H2' . 34670 1 259 . 1 . 1 19 19 G H3' H 1 4.963 0.004 . . . . . . A 19 G H3' . 34670 1 260 . 1 . 1 19 19 G H4' H 1 4.416 0.004 . . . . . . A 19 G H4' . 34670 1 261 . 1 . 1 19 19 G H5' H 1 4.768 0.002 . . . . . . A 19 G H5' . 34670 1 262 . 1 . 1 19 19 G H5'' H 1 4.745 0.004 . . . . . . A 19 G H5'' . 34670 1 263 . 1 . 1 19 19 G H8 H 1 7.985 0.002 . . . . . . A 19 G H8 . 34670 1 264 . 1 . 1 19 19 G C1' C 13 84.585 0.000 . . . . . . A 19 G C1' . 34670 1 265 . 1 . 1 19 19 G C2' C 13 75.554 0.000 . . . . . . A 19 G C2' . 34670 1 266 . 1 . 1 19 19 G C4' C 13 82.412 0.000 . . . . . . A 19 G C4' . 34670 1 267 . 1 . 1 19 19 G C5 C 13 114.299 0.005 . . . . . . A 19 G C5 . 34670 1 268 . 1 . 1 19 19 G C8 C 13 136.645 0.000 . . . . . . A 19 G C8 . 34670 1 269 . 1 . 1 19 19 G N1 N 15 143.977 0.000 . . . . . . A 19 G N1 . 34670 1 270 . 1 . 1 20 20 C H1' H 1 6.355 0.002 . . . . . . A 20 C H1' . 34670 1 271 . 1 . 1 20 20 C H2' H 1 4.547 0.002 . . . . . . A 20 C H2' . 34670 1 272 . 1 . 1 20 20 C H3' H 1 4.970 0.004 . . . . . . A 20 C H3' . 34670 1 273 . 1 . 1 20 20 C H4' H 1 4.769 0.003 . . . . . . A 20 C H4' . 34670 1 274 . 1 . 1 20 20 C H5 H 1 6.267 0.003 . . . . . . A 20 C H5 . 34670 1 275 . 1 . 1 20 20 C H5' H 1 4.414 0.001 . . . . . . A 20 C H5' . 34670 1 276 . 1 . 1 20 20 C H6 H 1 8.005 0.003 . . . . . . A 20 C H6 . 34670 1 277 . 1 . 1 20 20 C C1' C 13 87.104 0.000 . . . . . . A 20 C C1' . 34670 1 278 . 1 . 1 20 20 C C2' C 13 73.849 0.000 . . . . . . A 20 C C2' . 34670 1 279 . 1 . 1 20 20 C C3' C 13 76.974 0.000 . . . . . . A 20 C C3' . 34670 1 280 . 1 . 1 20 20 C C4' C 13 83.054 0.000 . . . . . . A 20 C C4' . 34670 1 281 . 1 . 1 20 20 C C5 C 13 97.506 0.000 . . . . . . A 20 C C5 . 34670 1 282 . 1 . 1 20 20 C C6 C 13 141.154 0.000 . . . . . . A 20 C C6 . 34670 1 283 . 1 . 1 21 21 G H1 H 1 11.102 0.004 . . . . . . A 21 G H1 . 34670 1 284 . 1 . 1 21 21 G H1' H 1 5.797 0.003 . . . . . . A 21 G H1' . 34670 1 285 . 1 . 1 21 21 G H2' H 1 4.809 0.001 . . . . . . A 21 G H2' . 34670 1 286 . 1 . 1 21 21 G H3' H 1 4.898 0.002 . . . . . . A 21 G H3' . 34670 1 287 . 1 . 1 21 21 G H4' H 1 4.708 0.004 . . . . . . A 21 G H4' . 34670 1 288 . 1 . 1 21 21 G H8 H 1 7.910 0.003 . . . . . . A 21 G H8 . 34670 1 289 . 1 . 1 21 21 G C1' C 13 91.562 0.000 . . . . . . A 21 G C1' . 34670 1 290 . 1 . 1 21 21 G C2' C 13 75.085 0.000 . . . . . . A 21 G C2' . 34670 1 291 . 1 . 1 21 21 G C3' C 13 71.100 0.000 . . . . . . A 21 G C3' . 34670 1 292 . 1 . 1 21 21 G C4' C 13 81.889 0.000 . . . . . . A 21 G C4' . 34670 1 293 . 1 . 1 21 21 G C5 C 13 116.428 0.007 . . . . . . A 21 G C5 . 34670 1 294 . 1 . 1 21 21 G C8 C 13 134.821 0.000 . . . . . . A 21 G C8 . 34670 1 295 . 1 . 1 21 21 G N1 N 15 144.075 0.000 . . . . . . A 21 G N1 . 34670 1 296 . 1 . 1 22 22 G H1 H 1 11.465 0.004 . . . . . . A 22 G H1 . 34670 1 297 . 1 . 1 22 22 G H1' H 1 5.856 0.005 . . . . . . A 22 G H1' . 34670 1 298 . 1 . 1 22 22 G H2' H 1 4.858 0.003 . . . . . . A 22 G H2' . 34670 1 299 . 1 . 1 22 22 G H3' H 1 4.893 0.003 . . . . . . A 22 G H3' . 34670 1 300 . 1 . 1 22 22 G H4' H 1 4.567 0.003 . . . . . . A 22 G H4' . 34670 1 301 . 1 . 1 22 22 G H5' H 1 4.393 0.000 . . . . . . A 22 G H5' . 34670 1 302 . 1 . 1 22 22 G H5'' H 1 4.246 0.001 . . . . . . A 22 G H5'' . 34670 1 303 . 1 . 1 22 22 G H8 H 1 7.862 0.004 . . . . . . A 22 G H8 . 34670 1 304 . 1 . 1 22 22 G C1' C 13 87.022 0.000 . . . . . . A 22 G C1' . 34670 1 305 . 1 . 1 22 22 G C2' C 13 73.504 0.000 . . . . . . A 22 G C2' . 34670 1 306 . 1 . 1 22 22 G C4' C 13 79.667 0.000 . . . . . . A 22 G C4' . 34670 1 307 . 1 . 1 22 22 G C5 C 13 114.784 0.013 . . . . . . A 22 G C5 . 34670 1 308 . 1 . 1 22 22 G C8 C 13 134.647 0.000 . . . . . . A 22 G C8 . 34670 1 309 . 1 . 1 22 22 G N1 N 15 143.489 0.000 . . . . . . A 22 G N1 . 34670 1 310 . 1 . 1 23 23 G H1 H 1 11.493 0.004 . . . . . . A 23 G H1 . 34670 1 311 . 1 . 1 23 23 G H1' H 1 6.090 0.004 . . . . . . A 23 G H1' . 34670 1 312 . 1 . 1 23 23 G H2' H 1 4.446 0.005 . . . . . . A 23 G H2' . 34670 1 313 . 1 . 1 23 23 G H3' H 1 4.514 0.004 . . . . . . A 23 G H3' . 34670 1 314 . 1 . 1 23 23 G H4' H 1 4.318 0.002 . . . . . . A 23 G H4' . 34670 1 315 . 1 . 1 23 23 G H5' H 1 4.565 0.004 . . . . . . A 23 G H5' . 34670 1 316 . 1 . 1 23 23 G H5'' H 1 4.499 0.004 . . . . . . A 23 G H5'' . 34670 1 317 . 1 . 1 23 23 G H8 H 1 8.158 0.002 . . . . . . A 23 G H8 . 34670 1 318 . 1 . 1 23 23 G C1' C 13 88.875 0.000 . . . . . . A 23 G C1' . 34670 1 319 . 1 . 1 23 23 G C2' C 13 73.492 0.000 . . . . . . A 23 G C2' . 34670 1 320 . 1 . 1 23 23 G C3' C 13 69.736 0.000 . . . . . . A 23 G C3' . 34670 1 321 . 1 . 1 23 23 G C5 C 13 115.123 0.004 . . . . . . A 23 G C5 . 34670 1 322 . 1 . 1 23 23 G C8 C 13 136.490 0.000 . . . . . . A 23 G C8 . 34670 1 323 . 1 . 1 23 23 G N1 N 15 144.437 0.000 . . . . . . A 23 G N1 . 34670 1 stop_ save_