################################### # 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 19081 _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 NOESY' . . . 19081 1 4 '2D 1H-1H NOESY' . . . 19081 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 12.863 0.005 . 1 . . . A 1 G H1 . 19081 1 2 . 1 1 1 1 G H1' H 1 5.809 0.005 . 1 . . . A 1 G H1' . 19081 1 3 . 1 1 1 1 G H2' H 1 4.939 0.005 . 1 . . . A 1 G H2' . 19081 1 4 . 1 1 1 1 G H3' H 1 4.728 0.005 . 1 . . . A 1 G H3' . 19081 1 5 . 1 1 1 1 G H4' H 1 4.530 0.005 . 1 . . . A 1 G H4' . 19081 1 6 . 1 1 1 1 G H5' H 1 4.297 0.005 . 1 . . . A 1 G H5' . 19081 1 7 . 1 1 1 1 G H5'' H 1 4.159 0.005 . 1 . . . A 1 G H5'' . 19081 1 8 . 1 1 1 1 G H8 H 1 8.114 0.005 . 1 . . . A 1 G H8 . 19081 1 9 . 1 1 2 2 G H1 H 1 13.348 0.005 . 1 . . . A 2 G H1 . 19081 1 10 . 1 1 2 2 G H1' H 1 5.905 0.005 . 1 . . . A 2 G H1' . 19081 1 11 . 1 1 2 2 G H2' H 1 4.568 0.005 . 1 . . . A 2 G H2' . 19081 1 12 . 1 1 2 2 G H3' H 1 4.534 0.005 . 1 . . . A 2 G H3' . 19081 1 13 . 1 1 2 2 G H4' H 1 4.592 0.005 . 1 . . . A 2 G H4' . 19081 1 14 . 1 1 2 2 G H5' H 1 4.241 0.005 . 1 . . . A 2 G H5' . 19081 1 15 . 1 1 2 2 G H8 H 1 7.584 0.005 . 1 . . . A 2 G H8 . 19081 1 16 . 1 1 2 2 G H22 H 1 5.735 0.005 . 1 . . . A 2 G H22 . 19081 1 17 . 1 1 3 3 C H1' H 1 5.520 0.005 . 1 . . . A 3 C H1' . 19081 1 18 . 1 1 3 3 C H2' H 1 4.562 0.005 . 1 . . . A 3 C H2' . 19081 1 19 . 1 1 3 3 C H3' H 1 4.548 0.005 . 1 . . . A 3 C H3' . 19081 1 20 . 1 1 3 3 C H4' H 1 4.444 0.005 . 1 . . . A 3 C H4' . 19081 1 21 . 1 1 3 3 C H5 H 1 5.274 0.005 . 1 . . . A 3 C H5 . 19081 1 22 . 1 1 3 3 C H5'' H 1 4.130 0.005 . 1 . . . A 3 C H5'' . 19081 1 23 . 1 1 3 3 C H6 H 1 7.658 0.005 . 1 . . . A 3 C H6 . 19081 1 24 . 1 1 3 3 C H41 H 1 8.504 0.005 . 1 . . . A 3 C H41 . 19081 1 25 . 1 1 3 3 C H42 H 1 6.982 0.005 . 1 . . . A 3 C H42 . 19081 1 26 . 1 1 4 4 A H1' H 1 5.958 0.005 . 1 . . . A 4 A H1' . 19081 1 27 . 1 1 4 4 A H2 H 1 6.969 0.005 . 1 . . . A 4 A H2 . 19081 1 28 . 1 1 4 4 A H2' H 1 4.721 0.005 . 1 . . . A 4 A H2' . 19081 1 29 . 1 1 4 4 A H3' H 1 4.681 0.005 . 1 . . . A 4 A H3' . 19081 1 30 . 1 1 4 4 A H4' H 1 4.514 0.005 . 1 . . . A 4 A H4' . 19081 1 31 . 1 1 4 4 A H5'' H 1 4.164 0.005 . 1 . . . A 4 A H5'' . 19081 1 32 . 1 1 4 4 A H8 H 1 7.966 0.005 . 1 . . . A 4 A H8 . 19081 1 33 . 1 1 4 4 A H61 H 1 7.803 0.005 . 1 . . . A 4 A H61 . 19081 1 34 . 1 1 4 4 A H62 H 1 6.346 0.005 . 1 . . . A 4 A H62 . 19081 1 35 . 1 1 5 5 G H1 H 1 12.599 0.005 . 1 . . . A 5 G H1 . 19081 1 36 . 1 1 5 5 G H1' H 1 5.539 0.005 . 1 . . . A 5 G H1' . 19081 1 37 . 1 1 5 5 G H2' H 1 4.560 0.005 . 1 . . . A 5 G H2' . 19081 1 38 . 1 1 5 5 G H3' H 1 4.451 0.005 . 1 . . . A 5 G H3' . 19081 1 39 . 1 1 5 5 G H4' H 1 4.478 0.005 . 1 . . . A 5 G H4' . 19081 1 40 . 1 1 5 5 G H5'' H 1 4.079 0.005 . 1 . . . A 5 G H5'' . 19081 1 41 . 1 1 5 5 G H8 H 1 7.124 0.005 . 1 . . . A 5 G H8 . 19081 1 42 . 1 1 5 5 G H21 H 1 8.037 0.005 . 1 . . . A 5 G H21 . 19081 1 43 . 1 1 5 5 G H22 H 1 6.073 0.005 . 1 . . . A 5 G H22 . 19081 1 44 . 1 1 6 6 A H1' H 1 5.942 0.005 . 1 . . . A 6 A H1' . 19081 1 45 . 1 1 6 6 A H2 H 1 7.767 0.005 . 1 . . . A 6 A H2 . 19081 1 46 . 1 1 6 6 A H2' H 1 4.529 0.005 . 1 . . . A 6 A H2' . 19081 1 47 . 1 1 6 6 A H3' H 1 4.574 0.005 . 1 . . . A 6 A H3' . 19081 1 48 . 1 1 6 6 A H5'' H 1 4.110 0.005 . 1 . . . A 6 A H5'' . 19081 1 49 . 1 1 6 6 A H8 H 1 7.730 0.005 . 1 . . . A 6 A H8 . 19081 1 50 . 1 1 6 6 A H61 H 1 8.003 0.005 . 1 . . . A 6 A H61 . 19081 1 51 . 1 1 6 6 A H62 H 1 6.789 0.005 . 1 . . . A 6 A H62 . 19081 1 52 . 1 1 7 7 U H1' H 1 5.505 0.005 . 1 . . . A 7 U H1' . 19081 1 53 . 1 1 7 7 U H2' H 1 4.319 0.005 . 1 . . . A 7 U H2' . 19081 1 54 . 1 1 7 7 U H3 H 1 14.178 0.005 . 1 . . . A 7 U H3 . 19081 1 55 . 1 1 7 7 U H3' H 1 4.433 0.005 . 1 . . . A 7 U H3' . 19081 1 56 . 1 1 7 7 U H5 H 1 5.002 0.005 . 1 . . . A 7 U H5 . 19081 1 57 . 1 1 7 7 U H5'' H 1 4.068 0.005 . 1 . . . A 7 U H5'' . 19081 1 58 . 1 1 7 7 U H6 H 1 7.614 0.005 . 1 . . . A 7 U H6 . 19081 1 59 . 1 1 8 8 U H1' H 1 5.682 0.005 . 1 . . . A 8 U H1' . 19081 1 60 . 1 1 8 8 U H2' H 1 4.346 0.005 . 1 . . . A 8 U H2' . 19081 1 61 . 1 1 8 8 U H3 H 1 13.790 0.005 . 1 . . . A 8 U H3 . 19081 1 62 . 1 1 8 8 U H3' H 1 4.514 0.005 . 1 . . . A 8 U H3' . 19081 1 63 . 1 1 8 8 U H4' H 1 4.291 0.005 . 1 . . . A 8 U H4' . 19081 1 64 . 1 1 8 8 U H5 H 1 5.510 0.005 . 1 . . . A 8 U H5 . 19081 1 65 . 1 1 8 8 U H5'' H 1 4.098 0.005 . 1 . . . A 8 U H5'' . 19081 1 66 . 1 1 8 8 U H6 H 1 7.961 0.005 . 1 . . . A 8 U H6 . 19081 1 67 . 1 1 9 9 C H1' H 1 5.662 0.005 . 1 . . . A 9 C H1' . 19081 1 68 . 1 1 9 9 C H2' H 1 4.484 0.005 . 1 . . . A 9 C H2' . 19081 1 69 . 1 1 9 9 C H3' H 1 4.368 0.005 . 1 . . . A 9 C H3' . 19081 1 70 . 1 1 9 9 C H4' H 1 4.209 0.005 . 1 . . . A 9 C H4' . 19081 1 71 . 1 1 9 9 C H5 H 1 5.534 0.005 . 1 . . . A 9 C H5 . 19081 1 72 . 1 1 9 9 C H5' H 1 4.071 0.005 . 1 . . . A 9 C H5' . 19081 1 73 . 1 1 9 9 C H5'' H 1 4.017 0.005 . 1 . . . A 9 C H5'' . 19081 1 74 . 1 1 9 9 C H6 H 1 7.737 0.005 . 1 . . . A 9 C H6 . 19081 1 75 . 1 1 9 9 C H41 H 1 8.272 0.005 . 1 . . . A 9 C H41 . 19081 1 76 . 1 1 9 9 C H42 H 1 7.014 0.005 . 1 . . . A 9 C H42 . 19081 1 77 . 1 1 10 10 U H1' H 1 5.273 0.005 . 1 . . . A 10 U H1' . 19081 1 78 . 1 1 10 10 U H2' H 1 4.337 0.005 . 1 . . . A 10 U H2' . 19081 1 79 . 1 1 10 10 U H3' H 1 4.306 0.005 . 1 . . . A 10 U H3' . 19081 1 80 . 1 1 10 10 U H4' H 1 4.134 0.005 . 1 . . . A 10 U H4' . 19081 1 81 . 1 1 10 10 U H5 H 1 5.566 0.005 . 1 . . . A 10 U H5 . 19081 1 82 . 1 1 10 10 U H5'' H 1 3.967 0.005 . 1 . . . A 10 U H5'' . 19081 1 83 . 1 1 10 10 U H6 H 1 7.567 0.005 . 1 . . . A 10 U H6 . 19081 1 84 . 1 1 11 11 G H1' H 1 5.412 0.005 . 1 . . . A 11 G H1' . 19081 1 85 . 1 1 11 11 G H2' H 1 4.584 0.005 . 1 . . . A 11 G H2' . 19081 1 86 . 1 1 11 11 G H3' H 1 4.461 0.005 . 1 . . . A 11 G H3' . 19081 1 87 . 1 1 11 11 G H4' H 1 3.774 0.005 . 1 . . . A 11 G H4' . 19081 1 88 . 1 1 11 11 G H5' H 1 3.965 0.005 . 1 . . . A 11 G H5' . 19081 1 89 . 1 1 11 11 G H5'' H 1 3.866 0.005 . 1 . . . A 11 G H5'' . 19081 1 90 . 1 1 11 11 G H8 H 1 7.669 0.005 . 1 . . . A 11 G H8 . 19081 1 91 . 1 1 12 12 G H1' H 1 5.819 0.005 . 1 . . . A 12 G H1' . 19081 1 92 . 1 1 12 12 G H2' H 1 5.038 0.005 . 1 . . . A 12 G H2' . 19081 1 93 . 1 1 12 12 G H3' H 1 5.119 0.005 . 1 . . . A 12 G H3' . 19081 1 94 . 1 1 12 12 G H4' H 1 4.364 0.005 . 1 . . . A 12 G H4' . 19081 1 95 . 1 1 12 12 G H5' H 1 4.097 0.005 . 1 . . . A 12 G H5' . 19081 1 96 . 1 1 12 12 G H5'' H 1 4.024 0.005 . 1 . . . A 12 G H5'' . 19081 1 97 . 1 1 12 12 G H8 H 1 7.856 0.005 . 1 . . . A 12 G H8 . 19081 1 98 . 1 1 13 13 U H1' H 1 6.065 0.005 . 1 . . . A 13 U H1' . 19081 1 99 . 1 1 13 13 U H2' H 1 4.579 0.005 . 1 . . . A 13 U H2' . 19081 1 100 . 1 1 13 13 U H3' H 1 4.688 0.005 . 1 . . . A 13 U H3' . 19081 1 101 . 1 1 13 13 U H4' H 1 4.569 0.005 . 1 . . . A 13 U H4' . 19081 1 102 . 1 1 13 13 U H5 H 1 5.935 0.005 . 1 . . . A 13 U H5 . 19081 1 103 . 1 1 13 13 U H5' H 1 4.311 0.005 . 1 . . . A 13 U H5' . 19081 1 104 . 1 1 13 13 U H5'' H 1 4.150 0.005 . 1 . . . A 13 U H5'' . 19081 1 105 . 1 1 13 13 U H6 H 1 7.911 0.005 . 1 . . . A 13 U H6 . 19081 1 106 . 1 1 14 14 G H1 H 1 12.154 0.005 . 1 . . . A 14 G H1 . 19081 1 107 . 1 1 14 14 G H1' H 1 5.155 0.005 . 1 . . . A 14 G H1' . 19081 1 108 . 1 1 14 14 G H2' H 1 4.697 0.005 . 1 . . . A 14 G H2' . 19081 1 109 . 1 1 14 14 G H3' H 1 4.560 0.005 . 1 . . . A 14 G H3' . 19081 1 110 . 1 1 14 14 G H4' H 1 4.405 0.005 . 1 . . . A 14 G H4' . 19081 1 111 . 1 1 14 14 G H5' H 1 4.369 0.005 . 1 . . . A 14 G H5' . 19081 1 112 . 1 1 14 14 G H5'' H 1 4.243 0.005 . 1 . . . A 14 G H5'' . 19081 1 113 . 1 1 14 14 G H8 H 1 7.959 0.005 . 1 . . . A 14 G H8 . 19081 1 114 . 1 1 14 14 G H21 H 1 7.898 0.005 . 1 . . . A 14 G H21 . 19081 1 115 . 1 1 14 14 G H22 H 1 5.981 0.005 . 1 . . . A 14 G H22 . 19081 1 116 . 1 1 15 15 A H1' H 1 5.964 0.005 . 1 . . . A 15 A H1' . 19081 1 117 . 1 1 15 15 A H2 H 1 7.268 0.005 . 1 . . . A 15 A H2 . 19081 1 118 . 1 1 15 15 A H2' H 1 4.686 0.005 . 1 . . . A 15 A H2' . 19081 1 119 . 1 1 15 15 A H3' H 1 4.656 0.005 . 1 . . . A 15 A H3' . 19081 1 120 . 1 1 15 15 A H4' H 1 4.569 0.005 . 1 . . . A 15 A H4' . 19081 1 121 . 1 1 15 15 A H5'' H 1 4.244 0.005 . 1 . . . A 15 A H5'' . 19081 1 122 . 1 1 15 15 A H8 H 1 7.859 0.005 . 1 . . . A 15 A H8 . 19081 1 123 . 1 1 15 15 A H61 H 1 8.001 0.005 . 1 . . . A 15 A H61 . 19081 1 124 . 1 1 15 15 A H62 H 1 6.728 0.005 . 1 . . . A 15 A H62 . 19081 1 125 . 1 1 16 16 A H1' H 1 5.909 0.005 . 1 . . . A 16 A H1' . 19081 1 126 . 1 1 16 16 A H2 H 1 7.775 0.005 . 1 . . . A 16 A H2 . 19081 1 127 . 1 1 16 16 A H2' H 1 4.448 0.005 . 1 . . . A 16 A H2' . 19081 1 128 . 1 1 16 16 A H3' H 1 4.572 0.005 . 1 . . . A 16 A H3' . 19081 1 129 . 1 1 16 16 A H4' H 1 4.534 0.005 . 1 . . . A 16 A H4' . 19081 1 130 . 1 1 16 16 A H5'' H 1 4.143 0.005 . 1 . . . A 16 A H5'' . 19081 1 131 . 1 1 16 16 A H8 H 1 7.798 0.005 . 1 . . . A 16 A H8 . 19081 1 132 . 1 1 16 16 A H61 H 1 8.169 0.005 . 1 . . . A 16 A H61 . 19081 1 133 . 1 1 16 16 A H62 H 1 6.926 0.005 . 1 . . . A 16 A H62 . 19081 1 134 . 1 1 17 17 U H1' H 1 5.464 0.005 . 1 . . . A 17 U H1' . 19081 1 135 . 1 1 17 17 U H2' H 1 4.409 0.005 . 1 . . . A 17 U H2' . 19081 1 136 . 1 1 17 17 U H3 H 1 14.193 0.005 . 1 . . . A 17 U H3 . 19081 1 137 . 1 1 17 17 U H5 H 1 5.028 0.005 . 1 . . . A 17 U H5 . 19081 1 138 . 1 1 17 17 U H5'' H 1 4.066 0.005 . 1 . . . A 17 U H5'' . 19081 1 139 . 1 1 17 17 U H6 H 1 7.570 0.005 . 1 . . . A 17 U H6 . 19081 1 140 . 1 1 18 18 C H1' H 1 5.550 0.005 . 1 . . . A 18 C H1' . 19081 1 141 . 1 1 18 18 C H2' H 1 4.345 0.005 . 1 . . . A 18 C H2' . 19081 1 142 . 1 1 18 18 C H3' H 1 4.440 0.005 . 1 . . . A 18 C H3' . 19081 1 143 . 1 1 18 18 C H4' H 1 4.441 0.005 . 1 . . . A 18 C H4' . 19081 1 144 . 1 1 18 18 C H5 H 1 5.609 0.005 . 1 . . . A 18 C H5 . 19081 1 145 . 1 1 18 18 C H5'' H 1 4.078 0.005 . 1 . . . A 18 C H5'' . 19081 1 146 . 1 1 18 18 C H6 H 1 7.782 0.005 . 1 . . . A 18 C H6 . 19081 1 147 . 1 1 18 18 C H41 H 1 8.433 0.005 . 1 . . . A 18 C H41 . 19081 1 148 . 1 1 18 18 C H42 H 1 7.031 0.005 . 1 . . . A 18 C H42 . 19081 1 149 . 1 1 19 19 U H1' H 1 5.487 0.005 . 1 . . . A 19 U H1' . 19081 1 150 . 1 1 19 19 U H2' H 1 4.605 0.005 . 1 . . . A 19 U H2' . 19081 1 151 . 1 1 19 19 U H3 H 1 13.421 0.005 . 1 . . . A 19 U H3 . 19081 1 152 . 1 1 19 19 U H5 H 1 5.389 0.005 . 1 . . . A 19 U H5 . 19081 1 153 . 1 1 19 19 U H5'' H 1 4.105 0.005 . 1 . . . A 19 U H5'' . 19081 1 154 . 1 1 19 19 U H6 H 1 7.831 0.005 . 1 . . . A 19 U H6 . 19081 1 155 . 1 1 20 20 G H1 H 1 12.561 0.005 . 1 . . . A 20 G H1 . 19081 1 156 . 1 1 20 20 G H1' H 1 5.789 0.005 . 1 . . . A 20 G H1' . 19081 1 157 . 1 1 20 20 G H2' H 1 4.487 0.005 . 1 . . . A 20 G H2' . 19081 1 158 . 1 1 20 20 G H3' H 1 4.442 0.005 . 1 . . . A 20 G H3' . 19081 1 159 . 1 1 20 20 G H5'' H 1 4.149 0.005 . 1 . . . A 20 G H5'' . 19081 1 160 . 1 1 20 20 G H8 H 1 7.776 0.005 . 1 . . . A 20 G H8 . 19081 1 161 . 1 1 20 20 G H21 H 1 8.155 0.005 . 1 . . . A 20 G H21 . 19081 1 162 . 1 1 20 20 G H22 H 1 5.971 0.005 . 1 . . . A 20 G H22 . 19081 1 163 . 1 1 21 21 C H1' H 1 5.480 0.005 . 1 . . . A 21 C H1' . 19081 1 164 . 1 1 21 21 C H2' H 1 4.221 0.005 . 1 . . . A 21 C H2' . 19081 1 165 . 1 1 21 21 C H3' H 1 4.445 0.005 . 1 . . . A 21 C H3' . 19081 1 166 . 1 1 21 21 C H4' H 1 4.393 0.005 . 1 . . . A 21 C H4' . 19081 1 167 . 1 1 21 21 C H5 H 1 5.212 0.005 . 1 . . . A 21 C H5 . 19081 1 168 . 1 1 21 21 C H5'' H 1 4.053 0.005 . 1 . . . A 21 C H5'' . 19081 1 169 . 1 1 21 21 C H6 H 1 7.684 0.005 . 1 . . . A 21 C H6 . 19081 1 170 . 1 1 21 21 C H41 H 1 8.575 0.005 . 1 . . . A 21 C H41 . 19081 1 171 . 1 1 21 21 C H42 H 1 6.966 0.005 . 1 . . . A 21 C H42 . 19081 1 172 . 1 1 22 22 C H1' H 1 5.745 0.005 . 1 . . . A 22 C H1' . 19081 1 173 . 1 1 22 22 C H2' H 1 3.999 0.005 . 1 . . . A 22 C H2' . 19081 1 174 . 1 1 22 22 C H3' H 1 4.162 0.005 . 1 . . . A 22 C H3' . 19081 1 175 . 1 1 22 22 C H4' H 1 4.164 0.005 . 1 . . . A 22 C H4' . 19081 1 176 . 1 1 22 22 C H5 H 1 5.490 0.005 . 1 . . . A 22 C H5 . 19081 1 177 . 1 1 22 22 C H6 H 1 7.658 0.005 . 1 . . . A 22 C H6 . 19081 1 178 . 1 1 22 22 C H41 H 1 8.441 0.005 . 1 . . . A 22 C H41 . 19081 1 179 . 1 1 22 22 C H42 H 1 7.032 0.005 . 1 . . . A 22 C H42 . 19081 1 stop_ save_