################################### # 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 17567 _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' . . . 17567 1 2 '2D 1H-13C HSQC' . . . 17567 1 3 '2D 1H-1H NOESY' . . . 17567 1 4 '2D 1H-1H NOESY' . . . 17567 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 5.852 0.150 3 . 1 . . . 1 G H1' . 17567 1 2 . 1 1 1 1 G H8 H 1 8.159 0.002 4 . 1 . . . 1 G H8 . 17567 1 3 . 1 1 1 1 G C1' C 13 91.552 0.050 1 . 1 . . . 1 G C1' . 17567 1 4 . 1 1 1 1 G C8 C 13 139.237 0.050 1 . 1 . . . 1 G C8 . 17567 1 5 . 1 1 2 2 G H1 H 1 12.697 0.002 5 . 1 . . . 2 G H1 . 17567 1 6 . 1 1 2 2 G H1' H 1 5.959 0.002 3 . 1 . . . 2 G H1' . 17567 1 7 . 1 1 2 2 G H8 H 1 7.559 0.002 6 . 1 . . . 2 G H8 . 17567 1 8 . 1 1 2 2 G C1' C 13 92.914 0.100 1 . 1 . . . 2 G C1' . 17567 1 9 . 1 1 2 2 G C8 C 13 136.916 0.050 1 . 1 . . . 2 G C8 . 17567 1 10 . 1 1 3 3 G H1 H 1 12.377 0.002 7 . 1 . . . 3 G H1 . 17567 1 11 . 1 1 3 3 G H1' H 1 5.816 0.002 3 . 1 . . . 3 G H1' . 17567 1 12 . 1 1 3 3 G H8 H 1 7.243 0.002 5 . 1 . . . 3 G H8 . 17567 1 13 . 1 1 3 3 G C1' C 13 93.042 0.100 1 . 1 . . . 3 G C1' . 17567 1 14 . 1 1 3 3 G C8 C 13 136.291 0.050 1 . 1 . . . 3 G C8 . 17567 1 15 . 1 1 4 4 A H1' H 1 6.012 0.002 4 . 1 . . . 4 A H1' . 17567 1 16 . 1 1 4 4 A H2 H 1 7.813 0.002 5 . 1 . . . 4 A H2 . 17567 1 17 . 1 1 4 4 A H8 H 1 7.742 0.002 6 . 1 . . . 4 A H8 . 17567 1 18 . 1 1 4 4 A C1' C 13 93.286 0.050 1 . 1 . . . 4 A C1' . 17567 1 19 . 1 1 4 4 A C2 C 13 153.989 0.050 1 . 1 . . . 4 A C2 . 17567 1 20 . 1 1 4 4 A C8 C 13 139.530 0.100 1 . 1 . . . 4 A C8 . 17567 1 21 . 1 1 5 5 U H1' H 1 5.500 0.002 4 . 1 . . . 5 U H1' . 17567 1 22 . 1 1 5 5 U H3 H 1 14.121 0.002 6 . 1 . . . 5 U H3 . 17567 1 23 . 1 1 5 5 U H5 H 1 5.082 0.002 4 . 1 . . . 5 U H5 . 17567 1 24 . 1 1 5 5 U H6 H 1 7.569 0.002 7 . 1 . . . 5 U H6 . 17567 1 25 . 1 1 5 5 U C1' C 13 93.778 0.150 1 . 1 . . . 5 U C1' . 17567 1 26 . 1 1 5 5 U C5 C 13 102.948 0.100 1 . 1 . . . 5 U C5 . 17567 1 27 . 1 1 5 5 U C6 C 13 141.506 0.050 1 . 1 . . . 5 U C6 . 17567 1 28 . 1 1 6 6 U H1' H 1 5.669 0.002 5 . 1 . . . 6 U H1' . 17567 1 29 . 1 1 6 6 U H3 H 1 13.703 0.002 6 . 1 . . . 6 U H3 . 17567 1 30 . 1 1 6 6 U H5 H 1 5.558 0.002 3 . 1 . . . 6 U H5 . 17567 1 31 . 1 1 6 6 U H6 H 1 7.970 0.002 8 . 1 . . . 6 U H6 . 17567 1 32 . 1 1 6 6 U C1' C 13 93.797 0.050 1 . 1 . . . 6 U C1' . 17567 1 33 . 1 1 6 6 U C5 C 13 103.432 0.050 1 . 1 . . . 6 U C5 . 17567 1 34 . 1 1 6 6 U C6 C 13 142.423 0.050 1 . 1 . . . 6 U C6 . 17567 1 35 . 1 1 7 7 C H1' H 1 5.506 0.002 4 . 1 . . . 7 C H1' . 17567 1 36 . 1 1 7 7 C H5 H 1 5.703 0.002 5 . 1 . . . 7 C H5 . 17567 1 37 . 1 1 7 7 C H6 H 1 7.869 0.003 10 . 1 . . . 7 C H6 . 17567 1 38 . 1 1 7 7 C H41 H 1 8.267 0.009 2 . 1 . . . 7 C H41 . 17567 1 39 . 1 1 7 7 C H42 H 1 6.884 0.002 2 . 1 . . . 7 C H42 . 17567 1 40 . 1 1 7 7 C C1' C 13 94.011 0.150 1 . 1 . . . 7 C C1' . 17567 1 41 . 1 1 7 7 C C5 C 13 97.941 0.050 1 . 1 . . . 7 C C5 . 17567 1 42 . 1 1 7 7 C C6 C 13 141.598 0.100 1 . 1 . . . 7 C C6 . 17567 1 43 . 1 1 8 8 A H1' H 1 5.887 0.002 4 . 1 . . . 8 A H1' . 17567 1 44 . 1 1 8 8 A H2 H 1 7.265 0.003 7 . 1 . . . 8 A H2 . 17567 1 45 . 1 1 8 8 A H8 H 1 8.095 0.002 9 . 1 . . . 8 A H8 . 17567 1 46 . 1 1 8 8 A C1' C 13 93.044 0.150 1 . 1 . . . 8 A C1' . 17567 1 47 . 1 1 8 8 A C2 C 13 153.170 0.050 1 . 1 . . . 8 A C2 . 17567 1 48 . 1 1 8 8 A C8 C 13 139.324 0.100 1 . 1 . . . 8 A C8 . 17567 1 49 . 1 1 9 9 U H1' H 1 5.489 0.002 5 . 1 . . . 9 U H1' . 17567 1 50 . 1 1 9 9 U H3 H 1 13.426 0.002 4 . 1 . . . 9 U H3 . 17567 1 51 . 1 1 9 9 U H5 H 1 5.033 0.003 4 . 1 . . . 9 U H5 . 17567 1 52 . 1 1 9 9 U H6 H 1 7.632 0.002 8 . 1 . . . 9 U H6 . 17567 1 53 . 1 1 9 9 U C1' C 13 92.995 0.050 1 . 1 . . . 9 U C1' . 17567 1 54 . 1 1 9 9 U C5 C 13 103.202 0.050 1 . 1 . . . 9 U C5 . 17567 1 55 . 1 1 9 9 U C6 C 13 140.995 0.050 1 . 1 . . . 9 U C6 . 17567 1 56 . 1 1 10 10 G H1 H 1 12.552 0.002 8 . 1 . . . 10 G H1 . 17567 1 57 . 1 1 10 10 G H1' H 1 5.815 0.002 4 . 1 . . . 10 G H1' . 17567 1 58 . 1 1 10 10 G H8 H 1 7.702 0.002 7 . 1 . . . 10 G H8 . 17567 1 59 . 1 1 10 10 G C1' C 13 92.390 0.050 1 . 1 . . . 10 G C1' . 17567 1 60 . 1 1 10 10 G C8 C 13 136.274 0.050 1 . 1 . . . 10 G C8 . 17567 1 61 . 1 1 11 11 C H1' H 1 5.463 0.002 3 . 1 . . . 11 C H1' . 17567 1 62 . 1 1 11 11 C H5 H 1 5.177 0.002 5 . 1 . . . 11 C H5 . 17567 1 63 . 1 1 11 11 C H6 H 1 7.456 0.004 11 . 1 . . . 11 C H6 . 17567 1 64 . 1 1 11 11 C H41 H 1 8.509 0.009 3 . 1 . . . 11 C H41 . 17567 1 65 . 1 1 11 11 C H42 H 1 6.839 0.002 2 . 1 . . . 11 C H42 . 17567 1 66 . 1 1 11 11 C C1' C 13 93.894 0.050 1 . 1 . . . 11 C C1' . 17567 1 67 . 1 1 11 11 C C5 C 13 97.238 0.050 1 . 1 . . . 11 C C5 . 17567 1 68 . 1 1 11 11 C C6 C 13 140.590 0.050 1 . 1 . . . 11 C C6 . 17567 1 69 . 1 1 12 12 U H1' H 1 5.658 0.003 5 . 1 . . . 12 U H1' . 17567 1 70 . 1 1 12 12 U H2' H 1 3.793 0.002 2 . 1 . . . 12 U H2' . 17567 1 71 . 1 1 12 12 U H5 H 1 5.713 0.002 4 . 1 . . . 12 U H5 . 17567 1 72 . 1 1 12 12 U H6 H 1 7.768 0.004 7 . 1 . . . 12 U H6 . 17567 1 73 . 1 1 12 12 U HO2' H 1 6.620 0.050 2 . 1 . . . 12 U HO2' . 17567 1 74 . 1 1 12 12 U C1' C 13 94.549 0.050 1 . 1 . . . 12 U C1' . 17567 1 75 . 1 1 12 12 U C2' C 13 75.984 0.050 1 . 1 . . . 12 U C2' . 17567 1 76 . 1 1 12 12 U C5 C 13 105.109 0.050 1 . 1 . . . 12 U C5 . 17567 1 77 . 1 1 12 12 U C6 C 13 140.645 0.050 1 . 1 . . . 12 U C6 . 17567 1 78 . 1 1 13 13 U H1' H 1 6.117 0.002 4 . 1 . . . 13 U H1' . 17567 1 79 . 1 1 13 13 U H5 H 1 5.880 0.003 4 . 1 . . . 13 U H5 . 17567 1 80 . 1 1 13 13 U H6 H 1 8.048 0.005 6 . 1 . . . 13 U H6 . 17567 1 81 . 1 1 13 13 U C1' C 13 89.288 0.050 1 . 1 . . . 13 U C1' . 17567 1 82 . 1 1 13 13 U C5 C 13 105.541 0.050 1 . 1 . . . 13 U C5 . 17567 1 83 . 1 1 13 13 U C6 C 13 144.762 0.050 1 . 1 . . . 13 U C6 . 17567 1 84 . 1 1 14 14 C H1' H 1 5.972 0.002 3 . 1 . . . 14 C H1' . 17567 1 85 . 1 1 14 14 C H4' H 1 3.817 0.002 1 . 1 . . . 14 C H4' . 17567 1 86 . 1 1 14 14 C H5 H 1 6.145 0.002 7 . 1 . . . 14 C H5 . 17567 1 87 . 1 1 14 14 C H6 H 1 7.705 0.006 5 . 1 . . . 14 C H6 . 17567 1 88 . 1 1 14 14 C C1' C 13 89.153 0.050 1 . 1 . . . 14 C C1' . 17567 1 89 . 1 1 14 14 C C4' C 13 84.507 0.050 1 . 1 . . . 14 C C4' . 17567 1 90 . 1 1 14 14 C C5 C 13 98.596 0.050 1 . 1 . . . 14 C C5 . 17567 1 91 . 1 1 14 14 C C6 C 13 142.832 0.050 1 . 1 . . . 14 C C6 . 17567 1 92 . 1 1 15 15 G H1 H 1 9.875 0.002 2 . 1 . . . 15 G H1 . 17567 1 93 . 1 1 15 15 G H1' H 1 5.976 0.002 3 . 1 . . . 15 G H1' . 17567 1 94 . 1 1 15 15 G H3' H 1 5.633 0.002 2 . 1 . . . 15 G H3' . 17567 1 95 . 1 1 15 15 G H5' H 1 4.414 0.002 1 . 1 . . . 15 G H5' . 17567 1 96 . 1 1 15 15 G H5'' H 1 4.206 0.002 1 . 1 . . . 15 G H5'' . 17567 1 97 . 1 1 15 15 G H8 H 1 7.874 0.002 3 . 1 . . . 15 G H8 . 17567 1 98 . 1 1 15 15 G C1' C 13 94.567 0.050 1 . 1 . . . 15 G C1' . 17567 1 99 . 1 1 15 15 G C3' C 13 75.926 0.050 1 . 1 . . . 15 G C3' . 17567 1 100 . 1 1 15 15 G C5' C 13 69.012 0.050 2 . 1 . . . 15 G C5' . 17567 1 101 . 1 1 15 15 G C8 C 13 142.921 0.050 1 . 1 . . . 15 G C8 . 17567 1 102 . 1 1 16 16 G H1 H 1 13.364 0.002 4 . 1 . . . 16 G H1 . 17567 1 103 . 1 1 16 16 G H1' H 1 4.467 0.002 4 . 1 . . . 16 G H1' . 17567 1 104 . 1 1 16 16 G H5' H 1 4.512 0.002 1 . 1 . . . 16 G H5' . 17567 1 105 . 1 1 16 16 G H5'' H 1 4.298 0.002 1 . 1 . . . 16 G H5'' . 17567 1 106 . 1 1 16 16 G H8 H 1 8.296 0.002 9 . 1 . . . 16 G H8 . 17567 1 107 . 1 1 16 16 G C1' C 13 93.239 0.050 1 . 1 . . . 16 G C1' . 17567 1 108 . 1 1 16 16 G C5' C 13 69.752 0.050 2 . 1 . . . 16 G C5' . 17567 1 109 . 1 1 16 16 G C8 C 13 138.962 0.050 1 . 1 . . . 16 G C8 . 17567 1 110 . 1 1 17 17 C H1' H 1 5.504 0.002 3 . 1 . . . 17 C H1' . 17567 1 111 . 1 1 17 17 C H3' H 1 5.633 0.002 0 . 1 . . . 17 C H3' . 17567 1 112 . 1 1 17 17 C H5 H 1 5.314 0.002 6 . 1 . . . 17 C H5 . 17567 1 113 . 1 1 17 17 C H6 H 1 7.686 0.006 8 . 1 . . . 17 C H6 . 17567 1 114 . 1 1 17 17 C H41 H 1 8.567 0.007 6 . 1 . . . 17 C H41 . 17567 1 115 . 1 1 17 17 C H42 H 1 6.826 0.002 2 . 1 . . . 17 C H42 . 17567 1 116 . 1 1 17 17 C C1' C 13 93.911 0.150 1 . 1 . . . 17 C C1' . 17567 1 117 . 1 1 17 17 C C3' C 13 75.926 0.100 0 . 1 . . . 17 C C3' . 17567 1 118 . 1 1 17 17 C C5 C 13 97.271 0.100 1 . 1 . . . 17 C C5 . 17567 1 119 . 1 1 17 17 C C6 C 13 141.061 0.100 1 . 1 . . . 17 C C6 . 17567 1 120 . 1 1 18 18 A H1' H 1 5.978 0.003 4 . 1 . . . 18 A H1' . 17567 1 121 . 1 1 18 18 A H2 H 1 7.310 0.002 8 . 1 . . . 18 A H2 . 17567 1 122 . 1 1 18 18 A H8 H 1 8.057 0.002 7 . 1 . . . 18 A H8 . 17567 1 123 . 1 1 18 18 A C1' C 13 93.258 0.100 1 . 1 . . . 18 A C1' . 17567 1 124 . 1 1 18 18 A C2 C 13 153.070 0.050 1 . 1 . . . 18 A C2 . 17567 1 125 . 1 1 18 18 A C8 C 13 139.714 0.100 1 . 1 . . . 18 A C8 . 17567 1 126 . 1 1 19 19 U H1' H 1 5.448 0.002 5 . 1 . . . 19 U H1' . 17567 1 127 . 1 1 19 19 U H3 H 1 13.432 0.002 4 . 1 . . . 19 U H3 . 17567 1 128 . 1 1 19 19 U H5 H 1 5.073 0.002 4 . 1 . . . 19 U H5 . 17567 1 129 . 1 1 19 19 U H6 H 1 7.559 0.002 9 . 1 . . . 19 U H6 . 17567 1 130 . 1 1 19 19 U C1' C 13 93.085 0.050 1 . 1 . . . 19 U C1' . 17567 1 131 . 1 1 19 19 U C5 C 13 103.177 0.100 1 . 1 . . . 19 U C5 . 17567 1 132 . 1 1 19 19 U C6 C 13 140.790 0.050 1 . 1 . . . 19 U C6 . 17567 1 133 . 1 1 20 20 G H1 H 1 11.678 0.002 8 . 1 . . . 20 G H1 . 17567 1 134 . 1 1 20 20 G H1' H 1 5.741 0.002 4 . 1 . . . 20 G H1' . 17567 1 135 . 1 1 20 20 G H8 H 1 7.644 0.002 5 . 1 . . . 20 G H8 . 17567 1 136 . 1 1 20 20 G C1' C 13 92.392 0.050 1 . 1 . . . 20 G C1' . 17567 1 137 . 1 1 20 20 G C8 C 13 136.414 0.050 1 . 1 . . . 20 G C8 . 17567 1 138 . 1 1 21 21 A H1' H 1 5.841 0.002 4 . 1 . . . 21 A H1' . 17567 1 139 . 1 1 21 21 A H2 H 1 7.110 0.004 12 . 1 . . . 21 A H2 . 17567 1 140 . 1 1 21 21 A H8 H 1 7.760 0.003 3 . 1 . . . 21 A H8 . 17567 1 141 . 1 1 21 21 A C1' C 13 92.972 0.050 1 . 1 . . . 21 A C1' . 17567 1 142 . 1 1 21 21 A C2 C 13 153.038 0.050 1 . 1 . . . 21 A C2 . 17567 1 143 . 1 1 21 21 A C8 C 13 139.547 0.100 1 . 1 . . . 21 A C8 . 17567 1 144 . 1 1 22 22 A H1' H 1 5.894 0.002 4 . 1 . . . 22 A H1' . 17567 1 145 . 1 1 22 22 A H2 H 1 7.784 0.002 6 . 1 . . . 22 A H2 . 17567 1 146 . 1 1 22 22 A H8 H 1 7.768 0.003 6 . 1 . . . 22 A H8 . 17567 1 147 . 1 1 22 22 A C1' C 13 92.863 0.100 1 . 1 . . . 22 A C1' . 17567 1 148 . 1 1 22 22 A C2 C 13 153.903 0.050 1 . 1 . . . 22 A C2 . 17567 1 149 . 1 1 22 22 A C8 C 13 139.514 0.100 1 . 1 . . . 22 A C8 . 17567 1 150 . 1 1 23 23 U H1' H 1 5.530 0.002 4 . 1 . . . 23 U H1' . 17567 1 151 . 1 1 23 23 U H3 H 1 14.013 0.002 5 . 1 . . . 23 U H3 . 17567 1 152 . 1 1 23 23 U H5 H 1 4.995 0.002 5 . 1 . . . 23 U H5 . 17567 1 153 . 1 1 23 23 U H6 H 1 7.644 0.002 10 . 1 . . . 23 U H6 . 17567 1 154 . 1 1 23 23 U C1' C 13 93.338 0.050 1 . 1 . . . 23 U C1' . 17567 1 155 . 1 1 23 23 U C5 C 13 102.636 0.050 1 . 1 . . . 23 U C5 . 17567 1 156 . 1 1 23 23 U C6 C 13 141.546 0.150 1 . 1 . . . 23 U C6 . 17567 1 157 . 1 1 24 24 C H1' H 1 5.596 0.002 2 . 1 . . . 24 C H1' . 17567 1 158 . 1 1 24 24 C H5 H 1 5.597 0.002 9 . 1 . . . 24 C H5 . 17567 1 159 . 1 1 24 24 C H6 H 1 7.857 0.002 8 . 1 . . . 24 C H6 . 17567 1 160 . 1 1 24 24 C H41 H 1 8.409 0.008 2 . 1 . . . 24 C H41 . 17567 1 161 . 1 1 24 24 C H42 H 1 6.872 0.004 2 . 1 . . . 24 C H42 . 17567 1 162 . 1 1 24 24 C C1' C 13 94.153 0.050 1 . 1 . . . 24 C C1' . 17567 1 163 . 1 1 24 24 C C5 C 13 97.548 0.050 1 . 1 . . . 24 C C5 . 17567 1 164 . 1 1 24 24 C C6 C 13 141.701 0.050 1 . 1 . . . 24 C C6 . 17567 1 165 . 1 1 25 25 C H5 H 1 5.491 0.003 5 . 1 . . . 25 C H5 . 17567 1 166 . 1 1 25 25 C H6 H 1 7.815 0.002 6 . 1 . . . 25 C H6 . 17567 1 167 . 1 1 25 25 C H41 H 1 8.445 0.011 2 . 1 . . . 25 C H41 . 17567 1 168 . 1 1 25 25 C H42 H 1 6.841 0.002 2 . 1 . . . 25 C H42 . 17567 1 169 . 1 1 25 25 C C5 C 13 97.574 0.050 1 . 1 . . . 25 C C5 . 17567 1 170 . 1 1 25 25 C C6 C 13 141.646 0.050 1 . 1 . . . 25 C C6 . 17567 1 171 . 1 1 26 26 C H1' H 1 5.774 0.002 2 . 1 . . . 26 C H1' . 17567 1 172 . 1 1 26 26 C H3' H 1 4.201 0.002 1 . 1 . . . 26 C H3' . 17567 1 173 . 1 1 26 26 C H5 H 1 5.503 0.003 3 . 1 . . . 26 C H5 . 17567 1 174 . 1 1 26 26 C H6 H 1 7.697 0.003 5 . 1 . . . 26 C H6 . 17567 1 175 . 1 1 26 26 C C1' C 13 92.878 0.050 1 . 1 . . . 26 C C1' . 17567 1 176 . 1 1 26 26 C C3' C 13 69.832 0.050 1 . 1 . . . 26 C C3' . 17567 1 177 . 1 1 26 26 C C5 C 13 98.070 0.050 1 . 1 . . . 26 C C5 . 17567 1 178 . 1 1 26 26 C C6 C 13 141.966 0.050 1 . 1 . . . 26 C C6 . 17567 1 stop_ save_