################################### # 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 30546 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err 0.02 _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' . . . 30546 1 2 '2D 1H-1H TOCSY' . . . 30546 1 3 '2D 1H-13C HSQC' . . . 30546 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.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 5.588 0.005 . 1 . . . . A 1 C H1' . 30546 1 2 . 1 1 1 1 C H2' H 1 4.574 0.005 . 1 . . . . A 1 C H2' . 30546 1 3 . 1 1 1 1 C H3' H 1 4.556 0.005 . 1 . . . . A 1 C H3' . 30546 1 4 . 1 1 1 1 C H4' H 1 4.341 0.005 . 1 . . . . A 1 C H4' . 30546 1 5 . 1 1 1 1 C H5 H 1 5.988 0.005 . 1 . . . . A 1 C H5 . 30546 1 6 . 1 1 1 1 C H5' H 1 4.053 0.005 . 2 . . . . A 1 C H5' . 30546 1 7 . 1 1 1 1 C H5'' H 1 3.939 0.005 . 2 . . . . A 1 C H5'' . 30546 1 8 . 1 1 1 1 C H6 H 1 8.052 0.005 . 1 . . . . A 1 C H6 . 30546 1 9 . 1 1 1 1 C H41 H 1 8.124 0.005 . 1 . . . . A 1 C H41 . 30546 1 10 . 1 1 1 1 C H42 H 1 6.908 0.005 . 1 . . . . A 1 C H42 . 30546 1 11 . 1 1 1 1 C C6 C 13 142.903 0.2 . 1 . . . . A 1 C C6 . 30546 1 12 . 1 1 2 2 G H1 H 1 13.060 0.005 . 1 . . . . A 2 G H1 . 30546 1 13 . 1 1 2 2 G H1' H 1 5.784 0.005 . 1 . . . . A 2 G H1' . 30546 1 14 . 1 1 2 2 G H2' H 1 4.572 0.005 . 1 . . . . A 2 G H2' . 30546 1 15 . 1 1 2 2 G H3' H 1 4.696 0.005 . 1 . . . . A 2 G H3' . 30546 1 16 . 1 1 2 2 G H4' H 1 4.511 0.005 . 1 . . . . A 2 G H4' . 30546 1 17 . 1 1 2 2 G H8 H 1 7.798 0.005 . 1 . . . . A 2 G H8 . 30546 1 18 . 1 1 2 2 G C8 C 13 136.544 0.2 . 1 . . . . A 2 G C8 . 30546 1 19 . 1 1 2 2 G P P 31 -3.925 0.02 . 1 . . . . A 2 G P . 30546 1 20 . 1 1 3 3 C H1' H 1 5.508 0.005 . 1 . . . . A 3 C H1' . 30546 1 21 . 1 1 3 3 C H2' H 1 4.564 0.005 . 1 . . . . A 3 C H2' . 30546 1 22 . 1 1 3 3 C H3' H 1 4.538 0.005 . 1 . . . . A 3 C H3' . 30546 1 23 . 1 1 3 3 C H4' H 1 4.444 0.005 . 1 . . . . A 3 C H4' . 30546 1 24 . 1 1 3 3 C H5 H 1 5.283 0.005 . 1 . . . . A 3 C H5 . 30546 1 25 . 1 1 3 3 C H6 H 1 7.663 0.005 . 1 . . . . A 3 C H6 . 30546 1 26 . 1 1 3 3 C H41 H 1 8.369 0.005 . 1 . . . . A 3 C H41 . 30546 1 27 . 1 1 3 3 C H42 H 1 6.771 0.005 . 1 . . . . A 3 C H42 . 30546 1 28 . 1 1 3 3 C C6 C 13 136.283 0.2 . 1 . . . . A 3 C C6 . 30546 1 29 . 1 1 4 4 A H1' H 1 5.976 0.005 . 1 . . . . A 4 A H1' . 30546 1 30 . 1 1 4 4 A H2 H 1 7.165 0.005 . 1 . . . . A 4 A H2 . 30546 1 31 . 1 1 4 4 A H2' H 1 4.731 0.005 . 1 . . . . A 4 A H2' . 30546 1 32 . 1 1 4 4 A H3' H 1 4.624 0.005 . 1 . . . . A 4 A H3' . 30546 1 33 . 1 1 4 4 A H8 H 1 7.952 0.005 . 1 . . . . A 4 A H8 . 30546 1 34 . 1 1 4 4 A C8 C 13 139.283 0.2 . 1 . . . . A 4 A C8 . 30546 1 35 . 1 1 4 4 A P P 31 -3.579 0.02 . 1 . . . . A 4 A P . 30546 1 36 . 1 1 5 5 G H1' H 1 5.390 0.005 . 1 . . . . A 5 G H1' . 30546 1 37 . 1 1 5 5 G H2' H 1 4.369 0.005 . 1 . . . . A 5 G H2' . 30546 1 38 . 1 1 5 5 G H3' H 1 4.193 0.005 . 1 . . . . A 5 G H3' . 30546 1 39 . 1 1 5 5 G H4' H 1 4.431 0.005 . 1 . . . . A 5 G H4' . 30546 1 40 . 1 1 5 5 G H8 H 1 6.992 0.005 . 1 . . . . A 5 G H8 . 30546 1 41 . 1 1 5 5 G C8 C 13 136.283 0.2 . 1 . . . . A 5 G C8 . 30546 1 42 . 1 1 5 5 G P P 31 -4.272 0.02 . 1 . . . . A 5 G P . 30546 1 43 . 1 1 6 6 C H1' H 1 5.607 0.005 . 1 . . . . A 6 C H1' . 30546 1 44 . 1 1 6 6 C H2' H 1 4.128 0.005 . 1 . . . . A 6 C H2' . 30546 1 45 . 1 1 6 6 C H5 H 1 5.093 0.005 . 1 . . . . A 6 C H5 . 30546 1 46 . 1 1 6 6 C H6 H 1 7.402 0.005 . 1 . . . . A 6 C H6 . 30546 1 47 . 1 1 6 6 C H41 H 1 7.362 0.005 . 1 . . . . A 6 C H41 . 30546 1 48 . 1 1 6 6 C H42 H 1 6.537 0.005 . 1 . . . . A 6 C H42 . 30546 1 49 . 1 1 6 6 C C6 C 13 141.345 0.2 . 1 . . . . A 6 C C6 . 30546 1 50 . 1 1 7 7 U H1' H 1 5.632 0.005 . 1 . . . . A 7 U H1' . 30546 1 51 . 1 1 7 7 U H2' H 1 4.349 0.005 . 1 . . . . A 7 U H2' . 30546 1 52 . 1 1 7 7 U H5 H 1 5.357 0.005 . 1 . . . . A 7 U H5 . 30546 1 53 . 1 1 7 7 U H6 H 1 7.673 0.005 . 1 . . . . A 7 U H6 . 30546 1 54 . 1 1 7 7 U C6 C 13 141.895 0.2 . 1 . . . . A 7 U C6 . 30546 1 55 . 1 1 8 8 U H1' H 1 5.863 0.005 . 1 . . . . A 8 U H1' . 30546 1 56 . 1 1 8 8 U H2' H 1 4.385 0.005 . 1 . . . . A 8 U H2' . 30546 1 57 . 1 1 8 8 U H3' H 1 4.446 0.005 . 1 . . . . A 8 U H3' . 30546 1 58 . 1 1 8 8 U H4' H 1 4.443 0.005 . 1 . . . . A 8 U H4' . 30546 1 59 . 1 1 8 8 U H5 H 1 5.858 0.005 . 1 . . . . A 8 U H5 . 30546 1 60 . 1 1 8 8 U H6 H 1 7.885 0.005 . 1 . . . . A 8 U H6 . 30546 1 61 . 1 1 8 8 U C6 C 13 142.405 0.2 . 1 . . . . A 8 U C6 . 30546 1 62 . 1 1 9 9 A H1' H 1 5.997 0.005 . 1 . . . . A 9 A H1' . 30546 1 63 . 1 1 9 9 A H2 H 1 7.525 0.005 . 1 . . . . A 9 A H2 . 30546 1 64 . 1 1 9 9 A H2' H 1 4.700 0.005 . 1 . . . . A 9 A H2' . 30546 1 65 . 1 1 9 9 A H3' H 1 4.668 0.005 . 1 . . . . A 9 A H3' . 30546 1 66 . 1 1 9 9 A H4' H 1 4.578 0.005 . 1 . . . . A 9 A H4' . 30546 1 67 . 1 1 9 9 A H8 H 1 8.384 0.005 . 1 . . . . A 9 A H8 . 30546 1 68 . 1 1 9 9 A C8 C 13 136.165 0.2 . 1 . . . . A 9 A C8 . 30546 1 69 . 1 1 9 9 A P P 31 -3.778 0.02 . 1 . . . . A 9 A P . 30546 1 70 . 1 1 10 10 C H1' H 1 5.490 0.005 . 1 . . . . A 10 C H1' . 30546 1 71 . 1 1 10 10 C H2' H 1 4.433 0.005 . 1 . . . . A 10 C H2' . 30546 1 72 . 1 1 10 10 C H3' H 1 4.450 0.005 . 1 . . . . A 10 C H3' . 30546 1 73 . 1 1 10 10 C H5 H 1 5.200 0.005 . 1 . . . . A 10 C H5 . 30546 1 74 . 1 1 10 10 C H6 H 1 7.558 0.005 . 1 . . . . A 10 C H6 . 30546 1 75 . 1 1 10 10 C H41 H 1 8.273 0.005 . 1 . . . . A 10 C H41 . 30546 1 76 . 1 1 10 10 C H42 H 1 6.644 0.005 . 1 . . . . A 10 C H42 . 30546 1 77 . 1 1 10 10 C C6 C 13 140.842 0.2 . 1 . . . . A 10 C C6 . 30546 1 78 . 1 1 11 11 G H1 H 1 13.060 0.005 . 1 . . . . A 11 G H1 . 30546 1 79 . 1 1 11 11 G H1' H 1 5.735 0.005 . 1 . . . . A 11 G H1' . 30546 1 80 . 1 1 11 11 G H2' H 1 4.413 0.005 . 1 . . . . A 11 G H2' . 30546 1 81 . 1 1 11 11 G H3' H 1 4.573 0.005 . 1 . . . . A 11 G H3' . 30546 1 82 . 1 1 11 11 G H4' H 1 4.438 0.005 . 1 . . . . A 11 G H4' . 30546 1 83 . 1 1 11 11 G H8 H 1 7.552 0.005 . 1 . . . . A 11 G H8 . 30546 1 84 . 1 1 11 11 G C8 C 13 136.153 0.2 . 1 . . . . A 11 G C8 . 30546 1 85 . 1 1 12 12 C H1' H 1 5.719 0.005 . 1 . . . . A 12 C H1' . 30546 1 86 . 1 1 12 12 C H2' H 1 3.984 0.005 . 1 . . . . A 12 C H2' . 30546 1 87 . 1 1 12 12 C H3' H 1 4.125 0.005 . 1 . . . . A 12 C H3' . 30546 1 88 . 1 1 12 12 C H4' H 1 4.171 0.005 . 1 . . . . A 12 C H4' . 30546 1 89 . 1 1 12 12 C H5 H 1 5.237 0.005 . 1 . . . . A 12 C H5 . 30546 1 90 . 1 1 12 12 C H6 H 1 7.490 0.005 . 1 . . . . A 12 C H6 . 30546 1 91 . 1 1 12 12 C H41 H 1 8.243 0.005 . 1 . . . . A 12 C H41 . 30546 1 92 . 1 1 12 12 C H42 H 1 6.842 0.005 . 1 . . . . A 12 C H42 . 30546 1 93 . 1 1 12 12 C C6 C 13 141.292 0.2 . 1 . . . . A 12 C C6 . 30546 1 94 . 2 2 1 1 G H1 H 1 12.830 0.005 . 1 . . . . B 13 G H1 . 30546 1 95 . 2 2 1 1 G H1' H 1 5.689 0.005 . 1 . . . . B 13 G H1' . 30546 1 96 . 2 2 1 1 G H2' H 1 4.743 0.005 . 1 . . . . B 13 G H2' . 30546 1 97 . 2 2 1 1 G H3' H 1 4.544 0.005 . 1 . . . . B 13 G H3' . 30546 1 98 . 2 2 1 1 G H4' H 1 4.325 0.005 . 1 . . . . B 13 G H4' . 30546 1 99 . 2 2 1 1 G H5' H 1 4.011 0.005 . 2 . . . . B 13 G H5' . 30546 1 100 . 2 2 1 1 G H5'' H 1 3.883 0.005 . 2 . . . . B 13 G H5'' . 30546 1 101 . 2 2 1 1 G H8 H 1 8.008 0.005 . 1 . . . . B 13 G H8 . 30546 1 102 . 2 2 1 1 G C8 C 13 138.760 0.2 . 1 . . . . B 13 G C8 . 30546 1 103 . 2 2 2 2 C H1' H 1 5.650 0.005 . 1 . . . . B 14 C H1' . 30546 1 104 . 2 2 2 2 C H2' H 1 4.628 0.005 . 1 . . . . B 14 C H2' . 30546 1 105 . 2 2 2 2 C H3' H 1 4.579 0.005 . 1 . . . . B 14 C H3' . 30546 1 106 . 2 2 2 2 C H4' H 1 4.483 0.005 . 1 . . . . B 14 C H4' . 30546 1 107 . 2 2 2 2 C H5 H 1 5.275 0.005 . 1 . . . . B 14 C H5 . 30546 1 108 . 2 2 2 2 C H6 H 1 7.824 0.005 . 1 . . . . B 14 C H6 . 30546 1 109 . 2 2 2 2 C H41 H 1 8.511 0.005 . 1 . . . . B 14 C H41 . 30546 1 110 . 2 2 2 2 C H42 H 1 6.566 0.005 . 1 . . . . B 14 C H42 . 30546 1 111 . 2 2 2 2 C C6 C 13 141.409 0.2 . 1 . . . . B 14 C C6 . 30546 1 112 . 2 2 3 3 G H1 H 1 12.940 0.005 . 1 . . . . B 15 G H1 . 30546 1 113 . 2 2 3 3 G H1' H 1 5.776 0.005 . 1 . . . . B 15 G H1' . 30546 1 114 . 2 2 3 3 G H2' H 1 4.484 0.005 . 1 . . . . B 15 G H2' . 30546 1 115 . 2 2 3 3 G H3' H 1 4.574 0.005 . 1 . . . . B 15 G H3' . 30546 1 116 . 2 2 3 3 G H8 H 1 7.592 0.005 . 1 . . . . B 15 G H8 . 30546 1 117 . 2 2 3 3 G C8 C 13 136.420 0.2 . 1 . . . . B 15 G C8 . 30546 1 118 . 2 2 4 4 U H1' H 1 5.571 0.005 . 1 . . . . B 16 U H1' . 30546 1 119 . 2 2 4 4 U H2' H 1 4.649 0.005 . 1 . . . . B 16 U H2' . 30546 1 120 . 2 2 4 4 U H3 H 1 13.700 0.005 . 1 . . . . B 16 U H3 . 30546 1 121 . 2 2 4 4 U H5 H 1 5.170 0.005 . 1 . . . . B 16 U H5 . 30546 1 122 . 2 2 4 4 U H6 H 1 7.674 0.005 . 1 . . . . B 16 U H6 . 30546 1 123 . 2 2 4 4 U C6 C 13 143.711 0.2 . 1 . . . . B 16 U C6 . 30546 1 124 . 2 2 5 5 G H1' H 1 5.686 0.005 . 1 . . . . B 17 G H1' . 30546 1 125 . 2 2 5 5 G H2' H 1 4.521 0.005 . 1 . . . . B 17 G H2' . 30546 1 126 . 2 2 5 5 G H8 H 1 7.619 0.005 . 1 . . . . B 17 G H8 . 30546 1 127 . 2 2 5 5 G C8 C 13 136.721 0.2 . 1 . . . . B 17 G C8 . 30546 1 128 . 2 2 6 6 C H1' H 1 5.477 0.005 . 1 . . . . B 18 C H1' . 30546 1 129 . 2 2 6 6 C H2' H 1 4.213 0.005 . 1 . . . . B 18 C H2' . 30546 1 130 . 2 2 6 6 C H3' H 1 4.325 0.005 . 1 . . . . B 18 C H3' . 30546 1 131 . 2 2 6 6 C H5 H 1 5.136 0.005 . 1 . . . . B 18 C H5 . 30546 1 132 . 2 2 6 6 C H6 H 1 7.394 0.005 . 1 . . . . B 18 C H6 . 30546 1 133 . 2 2 6 6 C H41 H 1 7.362 0.005 . 1 . . . . B 18 C H41 . 30546 1 134 . 2 2 6 6 C H42 H 1 6.520 0.005 . 1 . . . . B 18 C H42 . 30546 1 135 . 2 2 6 6 C C6 C 13 141.003 0.2 . 1 . . . . B 18 C C6 . 30546 1 136 . 2 2 6 6 C P P 31 -4.127 0.02 . 1 . . . . B 18 C P . 30546 1 137 . 2 2 7 7 U H1' H 1 5.619 0.005 . 1 . . . . B 19 U H1' . 30546 1 138 . 2 2 7 7 U H2' H 1 4.444 0.005 . 1 . . . . B 19 U H2' . 30546 1 139 . 2 2 7 7 U H3' H 1 4.351 0.005 . 1 . . . . B 19 U H3' . 30546 1 140 . 2 2 7 7 U H4' H 1 4.441 0.005 . 1 . . . . B 19 U H4' . 30546 1 141 . 2 2 7 7 U H5 H 1 5.355 0.005 . 1 . . . . B 19 U H5 . 30546 1 142 . 2 2 7 7 U H6 H 1 7.621 0.005 . 1 . . . . B 19 U H6 . 30546 1 143 . 2 2 7 7 U C6 C 13 141.872 0.2 . 1 . . . . B 19 U C6 . 30546 1 144 . 2 2 7 7 U P P 31 -3.850 0.02 . 1 . . . . B 19 U P . 30546 1 145 . 2 2 8 8 U H1' H 1 5.997 0.005 . 1 . . . . B 20 U H1' . 30546 1 146 . 2 2 8 8 U H2' H 1 4.296 0.005 . 1 . . . . B 20 U H2' . 30546 1 147 . 2 2 8 8 U H3' H 1 4.575 0.005 . 1 . . . . B 20 U H3' . 30546 1 148 . 2 2 8 8 U H4' H 1 4.415 0.005 . 1 . . . . B 20 U H4' . 30546 1 149 . 2 2 8 8 U H5 H 1 5.832 0.005 . 1 . . . . B 20 U H5 . 30546 1 150 . 2 2 8 8 U H6 H 1 7.936 0.005 . 1 . . . . B 20 U H6 . 30546 1 151 . 2 2 8 8 U C6 C 13 142.231 0.2 . 1 . . . . B 20 U C6 . 30546 1 152 . 2 2 9 9 U H1' H 1 5.799 0.005 . 1 . . . . B 21 U H1' . 30546 1 153 . 2 2 9 9 U H2' H 1 4.676 0.005 . 1 . . . . B 21 U H2' . 30546 1 154 . 2 2 9 9 U H3 H 1 13.700 0.005 . 1 . . . . B 21 U H3 . 30546 1 155 . 2 2 9 9 U H3' H 1 4.640 0.005 . 1 . . . . B 21 U H3' . 30546 1 156 . 2 2 9 9 U H4' H 1 4.514 0.005 . 1 . . . . B 21 U H4' . 30546 1 157 . 2 2 9 9 U H5 H 1 5.803 0.005 . 1 . . . . B 21 U H5 . 30546 1 158 . 2 2 9 9 U H6 H 1 7.864 0.005 . 1 . . . . B 21 U H6 . 30546 1 159 . 2 2 9 9 U C6 C 13 143.331 0.2 . 1 . . . . B 21 U C6 . 30546 1 160 . 2 2 9 9 U P P 31 -3.393 0.02 . 1 . . . . B 21 U P . 30546 1 161 . 2 2 10 10 G H1 H 1 12.390 0.005 . 1 . . . . B 22 G H1 . 30546 1 162 . 2 2 10 10 G H1' H 1 5.827 0.005 . 1 . . . . B 22 G H1' . 30546 1 163 . 2 2 10 10 G H2' H 1 4.537 0.005 . 1 . . . . B 22 G H2' . 30546 1 164 . 2 2 10 10 G H3' H 1 4.442 0.005 . 1 . . . . B 22 G H3' . 30546 1 165 . 2 2 10 10 G H8 H 1 7.898 0.005 . 1 . . . . B 22 G H8 . 30546 1 166 . 2 2 10 10 G C8 C 13 137.463 0.2 . 1 . . . . B 22 G C8 . 30546 1 167 . 2 2 11 11 C H1' H 1 5.491 0.005 . 1 . . . . B 23 C H1' . 30546 1 168 . 2 2 11 11 C H2' H 1 4.311 0.005 . 1 . . . . B 23 C H2' . 30546 1 169 . 2 2 11 11 C H5 H 1 5.187 0.005 . 1 . . . . B 23 C H5 . 30546 1 170 . 2 2 11 11 C H6 H 1 7.602 0.005 . 1 . . . . B 23 C H6 . 30546 1 171 . 2 2 11 11 C H41 H 1 8.316 0.005 . 1 . . . . B 23 C H41 . 30546 1 172 . 2 2 11 11 C H42 H 1 6.643 0.005 . 1 . . . . B 23 C H42 . 30546 1 173 . 2 2 11 11 C C6 C 13 140.645 0.2 . 1 . . . . B 23 C C6 . 30546 1 174 . 2 2 12 12 G H1' H 1 5.829 0.005 . 1 . . . . B 24 G H1' . 30546 1 175 . 2 2 12 12 G H2' H 1 4.087 0.005 . 1 . . . . B 24 G H2' . 30546 1 176 . 2 2 12 12 G H3' H 1 4.281 0.005 . 1 . . . . B 24 G H3' . 30546 1 177 . 2 2 12 12 G H4' H 1 4.218 0.005 . 1 . . . . B 24 G H4' . 30546 1 178 . 2 2 12 12 G H8 H 1 7.577 0.005 . 1 . . . . B 24 G H8 . 30546 1 179 . 2 2 12 12 G C8 C 13 137.288 0.2 . 1 . . . . B 24 G C8 . 30546 1 stop_ save_