################################### # 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 17682 _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 4 '2D 1H-13C HSQC' . . . 17682 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 12.71 . . . . . . A 1 G H1 . 17682 1 2 . 1 1 1 1 G H1' H 1 5.810 . . . . . . A 1 G H1' . 17682 1 3 . 1 1 1 1 G H2' H 1 4.890 . . . . . . A 1 G H2' . 17682 1 4 . 1 1 1 1 G H8 H 1 8.107 . . . . . . A 1 G H8 . 17682 1 5 . 1 1 1 1 G C8 C 13 139.822 . . . . . . A 1 G C8 . 17682 1 6 . 1 1 2 2 G H1 H 1 12.54 . . . . . . A 2 G H1 . 17682 1 7 . 1 1 2 2 G H1' H 1 5.622 . . . . . . A 2 G H1' . 17682 1 8 . 1 1 2 2 G H2' H 1 4.407 . . . . . . A 2 G H2' . 17682 1 9 . 1 1 2 2 G H8 H 1 7.518 . . . . . . A 2 G H8 . 17682 1 10 . 1 1 2 2 G H21 H 1 8.410 . . . . . . A 2 G H21 . 17682 1 11 . 1 1 2 2 G C8 C 13 137.297 . . . . . . A 2 G C8 . 17682 1 12 . 1 1 3 3 G C8 C 13 136.443 . . . . . . A 3 G C8 . 17682 1 13 . 1 1 3 3 G H1 H 1 12.49 . . . . . . A 3 G H1 . 17682 1 14 . 1 1 3 3 G H1' H 1 5.786 . . . . . . A 3 G H1' . 17682 1 15 . 1 1 3 3 G H2' H 1 4.598 . . . . . . A 3 G H2' . 17682 1 16 . 1 1 3 3 G H3' H 1 4.457 . . . . . . A 3 G H3' . 17682 1 17 . 1 1 3 3 G H8 H 1 7.205 . . . . . . A 3 G H8 . 17682 1 18 . 1 1 3 3 G H22 H 1 5.345 . . . . . . A 3 G H22 . 17682 1 19 . 1 1 4 4 G C8 C 13 136.653 . . . . . . A 4 G C8 . 17682 1 20 . 1 1 4 4 G H1 H 1 13.35 . . . . . . A 4 G H1 . 17682 1 21 . 1 1 4 4 G H1' H 1 5.736 . . . . . . A 4 G H1' . 17682 1 22 . 1 1 4 4 G H2' H 1 4.592 . . . . . . A 4 G H2' . 17682 1 23 . 1 1 4 4 G H3' H 1 4.452 . . . . . . A 4 G H3' . 17682 1 24 . 1 1 4 4 G H8 H 1 7.109 . . . . . . A 4 G H8 . 17682 1 25 . 1 1 4 4 G H21 H 1 8.217 . . . . . . A 4 G H21 . 17682 1 26 . 1 1 4 4 G H22 H 1 5.682 . . . . . . A 4 G H22 . 17682 1 27 . 1 1 5 5 A H1' H 1 5.936 . . . . . . A 5 A H1' . 17682 1 28 . 1 1 5 5 A H2 H 1 7.449 . . . . . . A 5 A H2 . 17682 1 29 . 1 1 5 5 A H2' H 1 4.407 . . . . . . A 5 A H2' . 17682 1 30 . 1 1 5 5 A H8 H 1 7.631 . . . . . . A 5 A H8 . 17682 1 31 . 1 1 5 5 A H61 H 1 7.787 . . . . . . A 5 A H61 . 17682 1 32 . 1 1 5 5 A H62 H 1 5.483 . . . . . . A 5 A H62 . 17682 1 33 . 1 1 5 5 A C8 C 13 139.792 . . . . . . A 5 A C8 . 17682 1 34 . 1 1 5 5 A C2 C 13 155.124 . . . . . . A 5 A C2 . 17682 1 35 . 1 1 5 5 A N1 N 15 155.124 . . . . . . A 5 A N1 . 17682 1 36 . 1 1 6 6 G C8 C 13 136.341 . . . . . . A 6 G C8 . 17682 1 37 . 1 1 6 6 G H1 H 1 12.19 . . . . . . A 6 G H1 . 17682 1 38 . 1 1 6 6 G H1' H 1 5.545 . . . . . . A 6 G H1' . 17682 1 39 . 1 1 6 6 G H2' H 1 4.330 . . . . . . A 6 G H2' . 17682 1 40 . 1 1 6 6 G H3' H 1 4.301 . . . . . . A 6 G H3' . 17682 1 41 . 1 1 6 6 G H8 H 1 7.049 . . . . . . A 6 G H8 . 17682 1 42 . 1 1 6 6 G H21 H 1 7.868 . . . . . . A 6 G H21 . 17682 1 43 . 1 1 6 6 G H22 H 1 5.715 . . . . . . A 6 G H22 . 17682 1 44 . 1 1 7 7 U C6 C 13 141.716 . . . . . . A 7 U C6 . 17682 1 45 . 1 1 7 7 U H1' H 1 5.587 . . . . . . A 7 U H1' . 17682 1 46 . 1 1 7 7 U H2' H 1 4.231 . . . . . . A 7 U H2' . 17682 1 47 . 1 1 7 7 U H3' H 1 4.319 . . . . . . A 7 U H3' . 17682 1 48 . 1 1 7 7 U H5 H 1 5.001 . . . . . . A 7 U H5 . 17682 1 49 . 1 1 8 8 A C8 C 13 142.176 . . . . . . A 8 A C8 . 17682 1 50 . 1 1 8 8 A C2 C 13 154.956 . . . . . . A 8 A C2 . 17682 1 51 . 1 1 8 8 A N1 N 15 154.956 . . . . . . A 8 A N1 . 17682 1 52 . 1 1 8 8 A H1' H 1 5.749 . . . . . . A 8 A H1' . 17682 1 53 . 1 1 8 8 A H2 H 1 7.567 . . . . . . A 8 A H2 . 17682 1 54 . 1 1 8 8 A H2' H 1 4.617 . . . . . . A 8 A H2' . 17682 1 55 . 1 1 8 8 A H3' H 1 4.354 . . . . . . A 8 A H3' . 17682 1 56 . 1 1 8 8 A H8 H 1 8.098 . . . . . . A 8 A H8 . 17682 1 57 . 1 1 9 9 C C6 C 13 143.436 . . . . . . A 9 C C6 . 17682 1 58 . 1 1 9 9 C H1' H 1 5.881 . . . . . . A 9 C H1' . 17682 1 59 . 1 1 9 9 C H2' H 1 4.493 . . . . . . A 9 C H2' . 17682 1 60 . 1 1 9 9 C H3' H 1 4.820 . . . . . . A 9 C H3' . 17682 1 61 . 1 1 9 9 C H5 H 1 5.686 . . . . . . A 9 C H5 . 17682 1 62 . 1 1 9 9 C H6 H 1 7.779 . . . . . . A 9 C H6 . 17682 1 63 . 1 1 10 10 G C8 C 13 138.888 . . . . . . A 10 G C8 . 17682 1 64 . 1 1 10 10 G H1' H 1 5.668 . . . . . . A 10 G H1' . 17682 1 65 . 1 1 10 10 G H2' H 1 4.894 . . . . . . A 10 G H2' . 17682 1 66 . 1 1 10 10 G H8 H 1 7.894 . . . . . . A 10 G H8 . 17682 1 67 . 1 1 11 11 G C8 C 13 137.228 . . . . . . A 11 G C8 . 17682 1 68 . 1 1 11 11 G H1 H 1 11.57 . . . . . . A 11 G H1 . 17682 1 69 . 1 1 11 11 G H1' H 1 5.620 . . . . . . A 11 G H1' . 17682 1 70 . 1 1 11 11 G H2' H 1 4.195 . . . . . . A 11 G H2' . 17682 1 71 . 1 1 11 11 G H8 H 1 7.517 . . . . . . A 11 G H8 . 17682 1 72 . 1 1 11 11 G H21 H 1 6.458 . . . . . . A 11 G H21 . 17682 1 73 . 1 1 11 11 G H22 H 1 5.286 . . . . . . A 11 G H22 . 17682 1 74 . 1 1 12 12 C C6 C 13 140.756 . . . . . . A 12 C C6 . 17682 1 75 . 1 1 12 12 C H1' H 1 5.507 . . . . . . A 12 C H1' . 17682 1 76 . 1 1 12 12 C H2' H 1 4.154 . . . . . . A 12 C H2' . 17682 1 77 . 1 1 12 12 C H5 H 1 5.346 . . . . . . A 12 C H5 . 17682 1 78 . 1 1 12 12 C H6 H 1 7.547 . . . . . . A 12 C H6 . 17682 1 79 . 1 1 12 12 C H41 H 1 8.421 . . . . . . A 12 C H41 . 17682 1 80 . 1 1 12 12 C H42 H 1 6.960 . . . . . . A 12 C H42 . 17682 1 81 . 1 1 13 13 C C6 C 13 141.082 . . . . . . A 13 C C6 . 17682 1 82 . 1 1 13 13 C H1' H 1 5.725 . . . . . . A 13 C H1' . 17682 1 83 . 1 1 13 13 C H2' H 1 4.234 . . . . . . A 13 C H2' . 17682 1 84 . 1 1 13 13 C H3' H 1 3.978 . . . . . . A 13 C H3' . 17682 1 85 . 1 1 13 13 C H5 H 1 5.461 . . . . . . A 13 C H5 . 17682 1 86 . 1 1 13 13 C H6 H 1 7.662 . . . . . . A 13 C H6 . 17682 1 87 . 1 1 13 13 C H41 H 1 8.240 . . . . . . A 13 C H41 . 17682 1 88 . 1 1 14 14 G C8 C 13 136.984 . . . . . . A 14 G C8 . 17682 1 89 . 1 1 14 14 G H1 H 1 10.60 . . . . . . A 14 G H1 . 17682 1 90 . 1 1 14 14 G H2' H 1 4.512 . . . . . . A 14 G H2' . 17682 1 91 . 1 1 14 14 G H8 H 1 7.601 . . . . . . A 14 G H8 . 17682 1 92 . 1 1 15 15 C C6 C 13 143.834 . . . . . . A 15 C C6 . 17682 1 93 . 1 1 15 15 C H1' H 1 5.554 . . . . . . A 15 C H1' . 17682 1 94 . 1 1 15 15 C H2' H 1 4.372 . . . . . . A 15 C H2' . 17682 1 95 . 1 1 15 15 C H3' H 1 4.216 . . . . . . A 15 C H3' . 17682 1 96 . 1 1 15 15 C H5 H 1 5.624 . . . . . . A 15 C H5 . 17682 1 97 . 1 1 15 15 C H6 H 1 7.754 . . . . . . A 15 C H6 . 17682 1 98 . 1 1 16 16 A C2 C 13 155.314 . . . . . . A 16 A C2 . 17682 1 99 . 1 1 16 16 A N1 N 15 155.214 . . . . . . A 16 A N1 . 17682 1 100 . 1 1 16 16 A C8 C 13 141.687 . . . . . . A 16 A C8 . 17682 1 101 . 1 1 16 16 A H1' H 1 5.578 . . . . . . A 16 A H1' . 17682 1 102 . 1 1 16 16 A H2 H 1 7.888 . . . . . . A 16 A H2 . 17682 1 103 . 1 1 16 16 A H2' H 1 4.285 . . . . . . A 16 A H2' . 17682 1 104 . 1 1 16 16 A H8 H 1 7.995 . . . . . . A 16 A H8 . 17682 1 105 . 1 1 17 17 A C2 C 13 155.617 . . . . . . A 17 A C2 . 17682 1 106 . 1 1 17 17 A N1 N 15 155.617 . . . . . . A 17 A N1 . 17682 1 107 . 1 1 17 17 A C8 C 13 142.101 . . . . . . A 17 A C8 . 17682 1 108 . 1 1 17 17 A H1' H 1 6.028 . . . . . . A 17 A H1' . 17682 1 109 . 1 1 17 17 A H2 H 1 8.007 . . . . . . A 17 A H2 . 17682 1 110 . 1 1 17 17 A H2' H 1 4.512 . . . . . . A 17 A H2' . 17682 1 111 . 1 1 17 17 A H3' H 1 4.454 . . . . . . A 17 A H3' . 17682 1 112 . 1 1 17 17 A H8 H 1 8.226 . . . . . . A 17 A H8 . 17682 1 113 . 1 1 18 18 G C8 C 13 137.802 . . . . . . A 18 G C8 . 17682 1 114 . 1 1 18 18 G H1 H 1 12.46 . . . . . . A 18 G H1 . 17682 1 115 . 1 1 18 18 G H1' H 1 3.834 . . . . . . A 18 G H1' . 17682 1 116 . 1 1 18 18 G H2' H 1 4.392 . . . . . . A 18 G H2' . 17682 1 117 . 1 1 18 18 G H3' H 1 4.154 . . . . . . A 18 G H3' . 17682 1 118 . 1 1 18 18 G H8 H 1 7.756 . . . . . . A 18 G H8 . 17682 1 119 . 1 1 18 18 G H21 H 1 8.455 . . . . . . A 18 G H21 . 17682 1 120 . 1 1 19 19 G C8 C 13 136.477 . . . . . . A 19 G C8 . 17682 1 121 . 1 1 19 19 G H1 H 1 13.35 . . . . . . A 19 G H1 . 17682 1 122 . 1 1 19 19 G H1' H 1 5.730 . . . . . . A 19 G H1' . 17682 1 123 . 1 1 19 19 G H2' H 1 4.358 . . . . . . A 19 G H2' . 17682 1 124 . 1 1 19 19 G H3' H 1 4.572 . . . . . . A 19 G H3' . 17682 1 125 . 1 1 19 19 G H8 H 1 7.123 . . . . . . A 19 G H8 . 17682 1 126 . 1 1 20 20 U C6 C 13 140.781 . . . . . . A 20 U C6 . 17682 1 127 . 1 1 20 20 U H1' H 1 5.405 . . . . . . A 20 U H1' . 17682 1 128 . 1 1 20 20 U H2' H 1 4.254 . . . . . . A 20 U H2' . 17682 1 129 . 1 1 20 20 U H3 H 1 11.77 . . . . . . A 20 U H3 . 17682 1 130 . 1 1 20 20 U H5 H 1 5.339 . . . . . . A 20 U H5 . 17682 1 131 . 1 1 20 20 U H6 H 1 7.591 . . . . . . A 20 U H6 . 17682 1 132 . 1 1 21 21 U C6 C 13 142.980 . . . . . . A 21 U C6 . 17682 1 133 . 1 1 21 21 U H1' H 1 5.616 . . . . . . A 21 U H1' . 17682 1 134 . 1 1 21 21 U H2' H 1 4.133 . . . . . . A 21 U H2' . 17682 1 135 . 1 1 21 21 U H3' H 1 4.638 . . . . . . A 21 U H3' . 17682 1 136 . 1 1 21 21 U H5 H 1 5.541 . . . . . . A 21 U H5 . 17682 1 137 . 1 1 21 21 U H6 H 1 7.804 . . . . . . A 21 U H6 . 17682 1 138 . 1 1 22 22 A C2 C 13 154.931 . . . . . . A 22 A C2 . 17682 1 139 . 1 1 22 22 A N1 N 15 154.931 . . . . . . A 22 A N1 . 17682 1 140 . 1 1 22 22 A C8 C 13 141.612 . . . . . . A 22 A C8 . 17682 1 141 . 1 1 22 22 A H1' H 1 5.652 . . . . . . A 22 A H1' . 17682 1 142 . 1 1 22 22 A H2 H 1 7.388 . . . . . . A 22 A H2 . 17682 1 143 . 1 1 22 22 A H2' H 1 4.419 . . . . . . A 22 A H2' . 17682 1 144 . 1 1 22 22 A H3' H 1 4.599 . . . . . . A 22 A H3' . 17682 1 145 . 1 1 22 22 A H8 H 1 8.044 . . . . . . A 22 A H8 . 17682 1 146 . 1 1 23 23 A C2 C 13 154.214 . . . . . . A 23 A C2 . 17682 1 147 . 1 1 23 23 A N1 N 15 154.214 . . . . . . A 23 A N1 . 17682 1 148 . 1 1 23 23 A C8 C 13 141.223 . . . . . . A 23 A C8 . 17682 1 149 . 1 1 23 23 A H1' H 1 5.409 . . . . . . A 23 A H1' . 17682 1 150 . 1 1 23 23 A H2 H 1 7.510 . . . . . . A 23 A H2 . 17682 1 151 . 1 1 23 23 A H2' H 1 4.423 . . . . . . A 23 A H2' . 17682 1 152 . 1 1 23 23 A H8 H 1 7.851 . . . . . . A 23 A H8 . 17682 1 153 . 1 1 24 24 A C2 C 13 155.727 . . . . . . A 24 A C2 . 17682 1 154 . 1 1 24 24 A N1 N 15 155.727 . . . . . . A 24 A N1 . 17682 1 155 . 1 1 24 24 A C8 C 13 141.123 . . . . . . A 24 A C8 . 17682 1 156 . 1 1 24 24 A H1' H 1 5.780 . . . . . . A 24 A H1' . 17682 1 157 . 1 1 24 24 A H2 H 1 8.049 . . . . . . A 24 A H2 . 17682 1 158 . 1 1 24 24 A H2' H 1 4.280 . . . . . . A 24 A H2' . 17682 1 159 . 1 1 24 24 A H8 H 1 8.261 . . . . . . A 24 A H8 . 17682 1 160 . 1 1 25 25 A C2 C 13 153.868 . . . . . . A 25 A C2 . 17682 1 161 . 1 1 25 25 A N1 N 15 153.868 . . . . . . A 25 A N1 . 17682 1 162 . 1 1 25 25 A C8 C 13 141.140 . . . . . . A 25 A C8 . 17682 1 163 . 1 1 25 25 A H1' H 1 5.755 . . . . . . A 25 A H1' . 17682 1 164 . 1 1 25 25 A H2 H 1 7.496 . . . . . . A 25 A H2 . 17682 1 165 . 1 1 25 25 A H2' H 1 4.341 . . . . . . A 25 A H2' . 17682 1 166 . 1 1 25 25 A H8 H 1 7.954 . . . . . . A 25 A H8 . 17682 1 167 . 1 1 26 26 C C6 C 13 141.615 . . . . . . A 26 C C6 . 17682 1 168 . 1 1 26 26 C H1' H 1 5.373 . . . . . . A 26 C H1' . 17682 1 169 . 1 1 26 26 C H2' H 1 4.195 . . . . . . A 26 C H2' . 17682 1 170 . 1 1 26 26 C H5 H 1 5.225 . . . . . . A 26 C H5 . 17682 1 171 . 1 1 26 26 C H6 H 1 7.532 . . . . . . A 26 C H6 . 17682 1 172 . 1 1 26 26 C H41 H 1 8.300 . . . . . . A 26 C H41 . 17682 1 173 . 1 1 26 26 C H42 H 1 6.845 . . . . . . A 26 C H42 . 17682 1 174 . 1 1 27 27 U C6 C 13 142.325 . . . . . . A 27 U C6 . 17682 1 175 . 1 1 27 27 U H1' H 1 5.524 . . . . . . A 27 U H1' . 17682 1 176 . 1 1 27 27 U H2' H 1 4.456 . . . . . . A 27 U H2' . 17682 1 177 . 1 1 27 27 U H3 H 1 14.07 . . . . . . A 27 U H3 . 17682 1 178 . 1 1 27 27 U H5 H 1 5.303 . . . . . . A 27 U H5 . 17682 1 179 . 1 1 27 27 U H6 H 1 7.902 . . . . . . A 27 U H6 . 17682 1 180 . 1 1 28 28 C C6 C 13 142.764 . . . . . . A 28 C C6 . 17682 1 181 . 1 1 28 28 C H1' H 1 5.558 . . . . . . A 28 C H1' . 17682 1 182 . 1 1 28 28 C H2' H 1 4.305 . . . . . . A 28 C H2' . 17682 1 183 . 1 1 28 28 C H5 H 1 5.622 . . . . . . A 28 C H5 . 17682 1 184 . 1 1 28 28 C H6 H 1 7.897 . . . . . . A 28 C H6 . 17682 1 185 . 1 1 29 29 C C6 C 13 142.035 . . . . . . A 29 C C6 . 17682 1 186 . 1 1 29 29 C H1' H 1 5.418 . . . . . . A 29 C H1' . 17682 1 187 . 1 1 29 29 C H2' H 1 4.503 . . . . . . A 29 C H2' . 17682 1 188 . 1 1 29 29 C H3' H 1 4.459 . . . . . . A 29 C H3' . 17682 1 189 . 1 1 29 29 C H5 H 1 5.439 . . . . . . A 29 C H5 . 17682 1 190 . 1 1 29 29 C H6 H 1 7.805 . . . . . . A 29 C H6 . 17682 1 191 . 1 1 29 29 C H41 H 1 8.322 . . . . . . A 29 C H41 . 17682 1 192 . 1 1 29 29 C H42 H 1 6.833 . . . . . . A 29 C H42 . 17682 1 193 . 1 1 30 30 C C6 C 13 141.086 . . . . . . A 30 C C6 . 17682 1 194 . 1 1 30 30 C H1' H 1 5.615 . . . . . . A 30 C H1' . 17682 1 195 . 1 1 30 30 C H2' H 1 4.098 . . . . . . A 30 C H2' . 17682 1 196 . 1 1 30 30 C H3' H 1 4.344 . . . . . . A 30 C H3' . 17682 1 197 . 1 1 30 30 C H5 H 1 5.374 . . . . . . A 30 C H5 . 17682 1 198 . 1 1 30 30 C H6 H 1 7.646 . . . . . . A 30 C H6 . 17682 1 199 . 1 1 31 31 C C6 C 13 142.333 . . . . . . A 31 C C6 . 17682 1 200 . 1 1 31 31 C H1' H 1 5.507 . . . . . . A 31 C H1' . 17682 1 201 . 1 1 31 31 C H2' H 1 4.510 . . . . . . A 31 C H2' . 17682 1 202 . 1 1 31 31 C H3' H 1 4.285 . . . . . . A 31 C H3' . 17682 1 203 . 1 1 31 31 C H5 H 1 5.603 . . . . . . A 31 C H5 . 17682 1 204 . 1 1 31 31 C H6 H 1 7.674 . . . . . . A 31 C H6 . 17682 1 stop_ save_