################################### # 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 17568 _Assigned_chem_shift_list.ID 1 _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-1H TOCSY' . . . 17568 1 2 '2D 1H-13C HSQC' . . . 17568 1 3 '2D 1H-1H NOESY' . . . 17568 1 4 '2D 1H-1H NOESY' . . . 17568 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 5.849 0.002 5 . 1 . . . 1 G H1' . 17568 1 2 . 1 1 1 1 G H8 H 1 8.146 0.002 4 . 1 . . . 1 G H8 . 17568 1 3 . 1 1 1 1 G C1' C 13 91.509 0.050 1 . 1 . . . 1 G C1' . 17568 1 4 . 1 1 1 1 G C8 C 13 139.136 0.050 1 . 1 . . . 1 G C8 . 17568 1 5 . 1 1 2 2 G H1 H 1 12.695 0.003 3 . 5 . . . 2 G H1 . 17568 1 6 . 1 1 2 2 G H1' H 1 5.954 0.002 6 . 1 . . . 2 G H1' . 17568 1 7 . 1 1 2 2 G H8 H 1 7.556 0.002 6 . 1 . . . 2 G H8 . 17568 1 8 . 1 1 2 2 G C1' C 13 92.836 0.100 1 . 1 . . . 2 G C1' . 17568 1 9 . 1 1 2 2 G C8 C 13 136.888 0.050 1 . 1 . . . 2 G C8 . 17568 1 10 . 1 1 3 3 G H1 H 1 12.371 0.002 5 . 1 . . . 3 G H1 . 17568 1 11 . 1 1 3 3 G H1' H 1 5.808 0.002 6 . 1 . . . 3 G H1' . 17568 1 12 . 1 1 3 3 G H8 H 1 7.236 0.002 5 . 1 . . . 3 G H8 . 17568 1 13 . 1 1 3 3 G C1' C 13 92.990 0.050 1 . 1 . . . 3 G C1' . 17568 1 14 . 1 1 3 3 G C8 C 13 136.254 0.050 1 . 1 . . . 3 G C8 . 17568 1 15 . 1 1 4 4 A H1' H 1 6.002 0.002 8 . 1 . . . 4 A H1' . 17568 1 16 . 1 1 4 4 A H2 H 1 7.802 0.002 8 . 1 . . . 4 A H2 . 17568 1 17 . 1 1 4 4 A H8 H 1 7.733 0.002 7 . 1 . . . 4 A H8 . 17568 1 18 . 1 1 4 4 A C1' C 13 93.226 0.050 1 . 1 . . . 4 A C1' . 17568 1 19 . 1 1 4 4 A C2 C 13 153.935 0.050 1 . 1 . . . 4 A C2 . 17568 1 20 . 1 1 4 4 A C8 C 13 139.517 0.050 1 . 1 . . . 4 A C8 . 17568 1 21 . 1 1 5 5 U H1' H 1 5.488 0.002 7 . 1 . . . 5 U H1' . 17568 1 22 . 1 1 5 5 U H3 H 1 14.114 0.002 6 . 1 . . . 5 U H3 . 17568 1 23 . 1 1 5 5 U H5 H 1 5.059 0.002 9 . 1 . . . 5 U H5 . 17568 1 24 . 1 1 5 5 U H6 H 1 7.557 0.003 11 . 1 . . . 5 U H6 . 17568 1 25 . 1 1 5 5 U C1' C 13 93.995 0.200 1 . 1 . . . 5 U C1' . 17568 1 26 . 1 1 5 5 U C5 C 13 102.916 0.150 1 . 1 . . . 5 U C5 . 17568 1 27 . 1 1 5 5 U C6 C 13 141.455 0.100 1 . 1 . . . 5 U C6 . 17568 1 28 . 1 1 6 6 U H1' H 1 5.661 0.002 7 . 1 . . . 6 U H1' . 17568 1 29 . 1 1 6 6 U H3 H 1 13.702 0.002 6 . 1 . . . 6 U H3 . 17568 1 30 . 1 1 6 6 U H5 H 1 5.534 0.002 6 . 1 . . . 6 U H5 . 17568 1 31 . 1 1 6 6 U H6 H 1 7.954 0.004 9 . 1 . . . 6 U H6 . 17568 1 32 . 1 1 6 6 U C1' C 13 93.724 0.050 1 . 1 . . . 6 U C1' . 17568 1 33 . 1 1 6 6 U C5 C 13 103.382 0.050 1 . 1 . . . 6 U C5 . 17568 1 34 . 1 1 6 6 U C6 C 13 142.410 0.050 1 . 1 . . . 6 U C6 . 17568 1 35 . 1 1 7 7 C H1' H 1 5.495 0.002 7 . 1 . . . 7 C H1' . 17568 1 36 . 1 1 7 7 C H5 H 1 5.675 0.002 4 . 1 . . . 7 C H5 . 17568 1 37 . 1 1 7 7 C H6 H 1 7.850 0.006 6 . 1 . . . 7 C H6 . 17568 1 38 . 1 1 7 7 C C1' C 13 94.258 0.150 1 . 1 . . . 7 C C1' . 17568 1 39 . 1 1 7 7 C C5 C 13 97.910 0.050 1 . 1 . . . 7 C C5 . 17568 1 40 . 1 1 7 7 C C6 C 13 141.661 0.050 1 . 1 . . . 7 C C6 . 17568 1 41 . 1 1 8 8 A H1' H 1 5.872 0.003 6 . 1 . . . 8 A H1' . 17568 1 42 . 1 1 8 8 A H2 H 1 7.235 0.003 8 . 1 . . . 8 A H2 . 17568 1 43 . 1 1 8 8 A H8 H 1 8.070 0.002 8 . 1 . . . 8 A H8 . 17568 1 44 . 1 1 8 8 A C1' C 13 93.025 0.100 1 . 1 . . . 8 A C1' . 17568 1 45 . 1 1 8 8 A C2 C 13 153.089 0.050 1 . 1 . . . 8 A C2 . 17568 1 46 . 1 1 8 8 A C8 C 13 139.727 0.050 1 . 1 . . . 8 A C8 . 17568 1 47 . 1 1 9 9 U H1' H 1 5.467 0.002 8 . 1 . . . 9 U H1' . 17568 1 48 . 1 1 9 9 U H3 H 1 13.340 0.002 4 . 1 . . . 9 U H3 . 17568 1 49 . 1 1 9 9 U H5 H 1 5.025 0.002 6 . 1 . . . 9 U H5 . 17568 1 50 . 1 1 9 9 U H6 H 1 7.613 0.004 6 . 1 . . . 9 U H6 . 17568 1 51 . 1 1 9 9 U C1' C 13 93.004 0.050 1 . 1 . . . 9 U C1' . 17568 1 52 . 1 1 9 9 U C5 C 13 103.116 0.100 1 . 1 . . . 9 U C5 . 17568 1 53 . 1 1 9 9 U C6 C 13 141.002 0.050 1 . 1 . . . 9 U C6 . 17568 1 54 . 1 1 10 10 G H1 H 1 12.498 0.002 4 . 1 . . . 10 G H1 . 17568 1 55 . 1 1 10 10 G H1' H 1 5.747 0.002 9 . 1 . . . 10 G H1' . 17568 1 56 . 1 1 10 10 G H8 H 1 7.641 0.002 5 . 1 . . . 10 G H8 . 17568 1 57 . 1 1 10 10 G C1' C 13 92.723 0.100 1 . 1 . . . 10 G C1' . 17568 1 58 . 1 1 10 10 G C8 C 13 136.153 0.100 1 . 1 . . . 10 G C8 . 17568 1 59 . 1 1 11 11 C H1' H 1 5.369 0.002 9 . 1 . . . 11 C H1' . 17568 1 60 . 1 1 11 11 C H5 H 1 5.148 0.003 9 . 1 . . . 11 C H5 . 17568 1 61 . 1 1 11 11 C H6 H 1 7.507 0.004 8 . 1 . . . 11 C H6 . 17568 1 62 . 1 1 11 11 C C1' C 13 94.041 0.050 1 . 1 . . . 11 C C1' . 17568 1 63 . 1 1 11 11 C C5 C 13 97.185 0.100 1 . 1 . . . 11 C C5 . 17568 1 64 . 1 1 11 11 C C6 C 13 140.691 0.050 1 . 1 . . . 11 C C6 . 17568 1 65 . 1 1 12 12 A H1' H 1 6.024 0.002 7 . 1 . . . 12 A H1' . 17568 1 66 . 1 1 12 12 A H2 H 1 8.260 0.002 6 . 1 . . . 12 A H2 . 17568 1 67 . 1 1 12 12 A H8 H 1 8.176 0.002 7 . 1 . . . 12 A H8 . 17568 1 68 . 1 1 12 12 A C1' C 13 91.797 0.050 1 . 1 . . . 12 A C1' . 17568 1 69 . 1 1 12 12 A C8 C 13 139.483 0.100 1 . 1 . . . 12 A C8 . 17568 1 70 . 1 1 13 13 C H1' H 1 5.495 0.002 7 . 1 . . . 13 C H1' . 17568 1 71 . 1 1 13 13 C H5 H 1 4.982 0.004 7 . 1 . . . 13 C H5 . 17568 1 72 . 1 1 13 13 C H6 H 1 7.149 0.002 8 . 1 . . . 13 C H6 . 17568 1 73 . 1 1 13 13 C C1' C 13 94.498 0.200 1 . 1 . . . 13 C C1' . 17568 1 74 . 1 1 13 13 C C5 C 13 97.781 0.050 1 . 1 . . . 13 C C5 . 17568 1 75 . 1 1 13 13 C C6 C 13 140.827 0.050 1 . 1 . . . 13 C C6 . 17568 1 76 . 1 1 14 14 U H1' H 1 5.583 0.002 6 . 1 . . . 14 U H1' . 17568 1 77 . 1 1 14 14 U H5 H 1 5.596 0.002 5 . 1 . . . 14 U H5 . 17568 1 78 . 1 1 14 14 U H6 H 1 7.734 0.002 8 . 1 . . . 14 U H6 . 17568 1 79 . 1 1 14 14 U C1' C 13 94.286 0.050 1 . 1 . . . 14 U C1' . 17568 1 80 . 1 1 14 14 U C5 C 13 104.794 0.050 1 . 1 . . . 14 U C5 . 17568 1 81 . 1 1 14 14 U C6 C 13 140.821 0.050 1 . 1 . . . 14 U C6 . 17568 1 82 . 1 1 15 15 U H1' H 1 6.096 0.002 4 . 1 . . . 15 U H1' . 17568 1 83 . 1 1 15 15 U H5 H 1 5.877 0.002 6 . 1 . . . 15 U H5 . 17568 1 84 . 1 1 15 15 U H6 H 1 8.021 0.002 8 . 1 . . . 15 U H6 . 17568 1 85 . 1 1 15 15 U C1' C 13 89.285 0.050 1 . 1 . . . 15 U C1' . 17568 1 86 . 1 1 15 15 U C5 C 13 105.521 0.050 1 . 1 . . . 15 U C5 . 17568 1 87 . 1 1 15 15 U C6 C 13 144.669 0.050 1 . 1 . . . 15 U C6 . 17568 1 88 . 1 1 16 16 C H1' H 1 5.931 0.002 4 . 1 . . . 16 C H1' . 17568 1 89 . 1 1 16 16 C H5 H 1 6.111 0.002 9 . 1 . . . 16 C H5 . 17568 1 90 . 1 1 16 16 C H6 H 1 7.670 0.002 6 . 1 . . . 16 C H6 . 17568 1 91 . 1 1 16 16 C C1' C 13 89.176 0.050 1 . 1 . . . 16 C C1' . 17568 1 92 . 1 1 16 16 C C5 C 13 98.592 0.050 1 . 1 . . . 16 C C5 . 17568 1 93 . 1 1 16 16 C C6 C 13 142.838 0.050 1 . 1 . . . 16 C C6 . 17568 1 94 . 1 1 17 17 G H1' H 1 5.957 0.002 5 . 1 . . . 17 G H1' . 17568 1 95 . 1 1 17 17 G H3' H 1 5.598 0.002 4 . 1 . . . 17 G H3' . 17568 1 96 . 1 1 17 17 G H8 H 1 7.866 0.002 4 . 1 . . . 17 G H8 . 17568 1 97 . 1 1 17 17 G C1' C 13 94.295 0.050 1 . 1 . . . 17 G C1' . 17568 1 98 . 1 1 17 17 G C3' C 13 75.957 0.050 1 . 1 . . . 17 G C3' . 17568 1 99 . 1 1 17 17 G C8 C 13 142.804 0.050 1 . 1 . . . 17 G C8 . 17568 1 100 . 1 1 18 18 G H1' H 1 4.509 0.002 4 . 1 . . . 18 G H1' . 17568 1 101 . 1 1 18 18 G H8 H 1 8.213 0.002 9 . 1 . . . 18 G H8 . 17568 1 102 . 1 1 18 18 G C1' C 13 93.295 0.050 1 . 1 . . . 18 G C1' . 17568 1 103 . 1 1 18 18 G C8 C 13 139.064 0.050 1 . 1 . . . 18 G C8 . 17568 1 104 . 1 1 19 19 A H1' H 1 6.071 0.002 8 . 1 . . . 19 A H1' . 17568 1 105 . 1 1 19 19 A H2 H 1 8.179 0.002 4 . 1 . . . 19 A H2 . 17568 1 106 . 1 1 19 19 A H8 H 1 8.007 0.003 9 . 1 . . . 19 A H8 . 17568 1 107 . 1 1 19 19 A C1' C 13 92.256 0.050 1 . 1 . . . 19 A C1' . 17568 1 108 . 1 1 19 19 A C8 C 13 139.084 0.600 1 . 1 . . . 19 A C6 . 17568 1 109 . 1 1 20 20 G H1 H 1 12.372 0.002 2 . 1 . . . 20 G H1 . 17568 1 110 . 1 1 20 20 G H1' H 1 5.552 0.002 8 . 1 . . . 20 G H1' . 17568 1 111 . 1 1 20 20 G H8 H 1 7.014 0.002 9 . 1 . . . 20 G H8 . 17568 1 112 . 1 1 20 20 G C1' C 13 93.609 0.050 1 . 1 . . . 20 G C1' . 17568 1 113 . 1 1 20 20 G C8 C 13 136.231 0.050 1 . 1 . . . 20 G C8 . 17568 1 114 . 1 1 21 21 C H1' H 1 5.486 0.002 5 . 1 . . . 21 C H1' . 17568 1 115 . 1 1 21 21 C H5 H 1 5.131 0.002 6 . 1 . . . 21 C H5 . 17568 1 116 . 1 1 21 21 C H6 H 1 7.684 0.004 9 . 1 . . . 21 C H6 . 17568 1 117 . 1 1 21 21 C C1' C 13 93.725 0.200 1 . 1 . . . 21 C C1' . 17568 1 118 . 1 1 21 21 C C5 C 13 97.085 0.100 1 . 1 . . . 21 C C5 . 17568 1 119 . 1 1 21 21 C C6 C 13 141.013 0.050 1 . 1 . . . 21 C C6 . 17568 1 120 . 1 1 22 22 A H1' H 1 5.931 0.002 7 . 1 . . . 22 A H1' . 17568 1 121 . 1 1 22 22 A H2 H 1 7.270 0.002 9 . 1 . . . 22 A H2 . 17568 1 122 . 1 1 22 22 A H8 H 1 7.971 0.002 8 . 1 . . . 22 A H8 . 17568 1 123 . 1 1 22 22 A C1' C 13 93.087 0.100 1 . 1 . . . 22 A C1' . 17568 1 124 . 1 1 22 22 A C2 C 13 153.038 0.050 1 . 1 . . . 22 A C2 . 17568 1 125 . 1 1 22 22 A C8 C 13 139.588 0.050 1 . 1 . . . 22 A C8 . 17568 1 126 . 1 1 23 23 U H1' H 1 5.443 0.002 8 . 1 . . . 23 U H1' . 17568 1 127 . 1 1 23 23 U H3 H 1 13.375 0.002 4 . 1 . . . 23 U H3 . 17568 1 128 . 1 1 23 23 U H5 H 1 5.021 0.002 7 . 1 . . . 23 U H5 . 17568 1 129 . 1 1 23 23 U H6 H 1 7.539 0.004 11 . 1 . . . 23 U H6 . 17568 1 130 . 1 1 23 23 U C1' C 13 93.038 0.050 1 . 1 . . . 23 U C1' . 17568 1 131 . 1 1 23 23 U C5 C 13 103.116 0.150 1 . 1 . . . 23 U C5 . 17568 1 132 . 1 1 23 23 U C6 C 13 140.797 0.100 1 . 1 . . . 23 U C6 . 17568 1 133 . 1 1 24 24 G H1 H 1 11.656 0.002 6 . 1 . . . 24 G H1 . 17568 1 134 . 1 1 24 24 G H1' H 1 5.735 0.002 7 . 1 . . . 24 G H1' . 17568 1 135 . 1 1 24 24 G H8 H 1 7.636 0.002 7 . 1 . . . 24 G H8 . 17568 1 136 . 1 1 24 24 G C1' C 13 92.482 0.050 1 . 1 . . . 24 G C1' . 17568 1 137 . 1 1 24 24 G C8 C 13 136.367 0.100 1 . 1 . . . 24 G C8 . 17568 1 138 . 1 1 25 25 A H1' H 1 5.840 0.002 5 . 1 . . . 25 A H1' . 17568 1 139 . 1 1 25 25 A H2 H 1 7.099 0.003 11 . 1 . . . 25 A H2 . 17568 1 140 . 1 1 25 25 A H8 H 1 7.768 0.002 4 . 1 . . . 25 A H8 . 17568 1 141 . 1 1 25 25 A C1' C 13 92.958 0.100 1 . 1 . . . 25 A C1' . 17568 1 142 . 1 1 25 25 A C2 C 13 152.982 0.050 1 . 1 . . . 25 A C2 . 17568 1 143 . 1 1 25 25 A C8 C 13 139.521 0.100 1 . 1 . . . 25 A C8 . 17568 1 144 . 1 1 26 26 A H1' H 1 5.893 0.002 6 . 1 . . . 26 A H1' . 17568 1 145 . 1 1 26 26 A H2 H 1 7.771 0.002 9 . 1 . . . 26 A H2 . 17568 1 146 . 1 1 26 26 A H8 H 1 7.782 0.002 6 . 1 . . . 26 A H8 . 17568 1 147 . 1 1 26 26 A C1' C 13 92.843 0.100 1 . 1 . . . 26 A C1' . 17568 1 148 . 1 1 26 26 A C2 C 13 153.865 0.050 1 . 1 . . . 26 A C2 . 17568 1 149 . 1 1 26 26 A C8 C 13 139.339 0.100 1 . 1 . . . 26 A C8 . 17568 1 150 . 1 1 27 27 U H1' H 1 5.523 0.002 7 . 1 . . . 27 U H1' . 17568 1 151 . 1 1 27 27 U H3 H 1 14.000 0.003 5 . 1 . . . 27 U H3 . 17568 1 152 . 1 1 27 27 U H5 H 1 4.991 0.002 6 . 1 . . . 27 U H5 . 17568 1 153 . 1 1 27 27 U H6 H 1 7.643 0.003 8 . 1 . . . 27 U H6 . 17568 1 154 . 1 1 27 27 U C1' C 13 93.429 0.050 1 . 1 . . . 27 U C1' . 17568 1 155 . 1 1 27 27 U C5 C 13 102.637 0.100 1 . 1 . . . 27 U C5 . 17568 1 156 . 1 1 27 27 U C6 C 13 141.517 0.150 1 . 1 . . . 27 U C6 . 17568 1 157 . 1 1 28 28 C H1' H 1 5.590 0.002 6 . 1 . . . 28 C H1' . 17568 1 158 . 1 1 28 28 C H5 H 1 5.591 0.002 4 . 1 . . . 28 C H5 . 17568 1 159 . 1 1 28 28 C H6 H 1 7.851 0.004 8 . 1 . . . 28 C H6 . 17568 1 160 . 1 1 28 28 C C1' C 13 94.072 0.050 1 . 1 . . . 28 C C1' . 17568 1 161 . 1 1 28 28 C C5 C 13 97.534 0.050 1 . 1 . . . 28 C C5 . 17568 1 162 . 1 1 28 28 C C6 C 13 141.607 0.150 1 . 1 . . . 28 C C6 . 17568 1 163 . 1 1 29 29 C H1' H 1 5.492 0.003 5 . 1 . . . 29 C H1' . 17568 1 164 . 1 1 29 29 C H5 H 1 5.485 0.002 4 . 1 . . . 29 C H5 . 17568 1 165 . 1 1 29 29 C H6 H 1 7.806 0.003 5 . 1 . . . 29 C H6 . 17568 1 166 . 1 1 29 29 C C1' C 13 93.808 0.200 1 . 1 . . . 29 C C1' . 17568 1 167 . 1 1 29 29 C C5 C 13 97.590 0.100 1 . 1 . . . 29 C C5 . 17568 1 168 . 1 1 29 29 C C6 C 13 141.611 0.050 1 . 1 . . . 29 C C6 . 17568 1 169 . 1 1 30 30 C H1' H 1 5.770 0.002 4 . 1 . . . 30 C H1' . 17568 1 170 . 1 1 30 30 C H3' H 1 4.196 0.002 1 . 1 . . . 30 C H3' . 17568 1 171 . 1 1 30 30 C H5 H 1 5.499 0.005 3 . 1 . . . 30 C H5 . 17568 1 172 . 1 1 30 30 C H6 H 1 7.691 0.003 5 . 1 . . . 30 C H6 . 17568 1 173 . 1 1 30 30 C C1' C 13 92.833 0.100 1 . 1 . . . 30 C C1' . 17568 1 174 . 1 1 30 30 C C3' C 13 69.862 0.050 1 . 1 . . . 30 C C3' . 17568 1 175 . 1 1 30 30 C C5 C 13 98.009 0.100 1 . 1 . . . 30 C C5 . 17568 1 176 . 1 1 30 30 C C6 C 13 141.919 0.050 1 . 1 . . . 30 C C6 . 17568 1 stop_ save_