################################### # 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 15081 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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' . . . 15081 1 2 '2D 1H-1H NOESY' . . . 15081 1 3 '2D 1H-13C HSQC' . . . 15081 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 PSU C1' C 13 83.147 0.000 . 1 . . . . 1 PSU C1' . 15081 1 2 . 1 1 1 1 PSU C5' C 13 63.254 0.042 . 1 . . . . 1 PSU C5' . 15081 1 3 . 1 1 1 1 PSU C6 C 13 142.687 0.000 . 1 . . . . 1 PSU C6 . 15081 1 4 . 1 1 1 1 PSU H1' H 1 4.803 0.001 . 1 . . . . 1 PSU H1' . 15081 1 5 . 1 1 1 1 PSU H2' H 1 4.544 0.002 . 1 . . . . 1 PSU H2' . 15081 1 6 . 1 1 1 1 PSU H5' H 1 3.976 0.001 . 1 . . . . 1 PSU H5' . 15081 1 7 . 1 1 1 1 PSU H5'' H 1 3.827 0.001 . 1 . . . . 1 PSU H5'' . 15081 1 8 . 1 1 1 1 PSU H6 H 1 7.743 0.002 . 1 . . . . 1 PSU H6 . 15081 1 9 . 1 1 2 2 C C1' C 13 94.131 0.000 . 1 . . . . 2 C C1' . 15081 1 10 . 1 1 2 2 C C5 C 13 97.848 0.000 . 1 . . . . 2 C C5 . 15081 1 11 . 1 1 2 2 C C6 C 13 142.449 0.000 . 1 . . . . 2 C C6 . 15081 1 12 . 1 1 2 2 C H1' H 1 5.640 0.000 . 1 . . . . 2 C H1' . 15081 1 13 . 1 1 2 2 C H2' H 1 4.444 0.002 . 1 . . . . 2 C H2' . 15081 1 14 . 1 1 2 2 C H41 H 1 8.522 0.001 . 1 . . . . 2 C H41 . 15081 1 15 . 1 1 2 2 C H42 H 1 7.104 0.004 . 1 . . . . 2 C H42 . 15081 1 16 . 1 1 2 2 C H5 H 1 5.827 0.002 . 1 . . . . 2 C H5 . 15081 1 17 . 1 1 2 2 C H5'' H 1 4.136 0.002 . 1 . . . . 2 C H5'' . 15081 1 18 . 1 1 2 2 C H6 H 1 8.021 0.003 . 1 . . . . 2 C H6 . 15081 1 19 . 1 1 3 3 U C1' C 13 93.900 0.000 . 1 . . . . 3 U C1' . 15081 1 20 . 1 1 3 3 U C2' C 13 76.520 0.000 . 1 . . . . 3 U C2' . 15081 1 21 . 1 1 3 3 U C5 C 13 103.600 0.000 . 1 . . . . 3 U C5 . 15081 1 22 . 1 1 3 3 U H1' H 1 5.483 0.000 . 1 . . . . 3 U H1' . 15081 1 23 . 1 1 3 3 U H2' H 1 4.613 0.001 . 1 . . . . 3 U H2' . 15081 1 24 . 1 1 3 3 U H3 H 1 13.972 0.003 . 1 . . . . 3 U H3 . 15081 1 25 . 1 1 3 3 U H5 H 1 5.490 0.002 . 1 . . . . 3 U H5 . 15081 1 26 . 1 1 3 3 U H5'' H 1 4.113 0.000 . 1 . . . . 3 U H5'' . 15081 1 27 . 1 1 3 3 U H6 H 1 7.790 0.002 . 1 . . . . 3 U H6 . 15081 1 28 . 1 1 4 4 C C1' C 13 93.116 0.000 . 1 . . . . 4 C C1' . 15081 1 29 . 1 1 4 4 C C5 C 13 98.777 0.000 . 1 . . . . 4 C C5 . 15081 1 30 . 1 1 4 4 C C6 C 13 141.848 0.000 . 1 . . . . 4 C C6 . 15081 1 31 . 1 1 4 4 C H1' H 1 5.665 0.001 . 1 . . . . 4 C H1' . 15081 1 32 . 1 1 4 4 C H2' H 1 4.450 0.001 . 1 . . . . 4 C H2' . 15081 1 33 . 1 1 4 4 C H5 H 1 5.971 0.003 . 1 . . . . 4 C H5 . 15081 1 34 . 1 1 4 4 C H5'' H 1 4.115 0.000 . 1 . . . . 4 C H5'' . 15081 1 35 . 1 1 4 4 C H6 H 1 8.008 0.002 . 1 . . . . 4 C H6 . 15081 1 36 . 1 1 5 5 OMG C1' C 13 89.251 0.000 . 1 . . . . 5 OMG C1' . 15081 1 37 . 1 1 5 5 OMG C2' C 13 83.575 0.000 . 1 . . . . 5 OMG C2' . 15081 1 38 . 1 1 5 5 OMG C8 C 13 137.960 0.000 . 1 . . . . 5 OMG C8 . 15081 1 39 . 1 1 5 5 OMG H1 H 1 10.624 0.003 . 1 . . . . 5 OMG H1 . 15081 1 40 . 1 1 5 5 OMG H1' H 1 5.750 0.001 . 1 . . . . 5 OMG H1' . 15081 1 41 . 1 1 5 5 OMG H2' H 1 4.366 0.001 . 1 . . . . 5 OMG H2' . 15081 1 42 . 1 1 5 5 OMG H8 H 1 7.637 0.002 . 1 . . . . 5 OMG H8 . 15081 1 43 . 1 1 5 5 OMG HM2* H 1 3.703 0.006 . 1 . . . . 5 OMG HM2* . 15081 1 44 . 1 1 6 6 OMG C1' C 13 88.712 0.000 . 1 . . . . 6 OMG C1' . 15081 1 45 . 1 1 6 6 OMG C2' C 13 83.613 0.000 . 1 . . . . 6 OMG C2' . 15081 1 46 . 1 1 6 6 OMG C8 C 13 136.262 0.000 . 1 . . . . 6 OMG C8 . 15081 1 47 . 1 1 6 6 OMG H1 H 1 13.269 0.003 . 1 . . . . 6 OMG H1 . 15081 1 48 . 1 1 6 6 OMG H1' H 1 5.793 0.003 . 1 . . . . 6 OMG H1' . 15081 1 49 . 1 1 6 6 OMG H2' H 1 4.164 0.001 . 1 . . . . 6 OMG H2' . 15081 1 50 . 1 1 6 6 OMG H22 H 1 6.736 0.000 . 1 . . . . 6 OMG H22 . 15081 1 51 . 1 1 6 6 OMG H3' H 1 4.424 0.004 . 1 . . . . 6 OMG H3' . 15081 1 52 . 1 1 6 6 OMG H5'' H 1 4.011 0.000 . 1 . . . . 6 OMG H5'' . 15081 1 53 . 1 1 6 6 OMG H8 H 1 7.135 0.002 . 1 . . . . 6 OMG H8 . 15081 1 54 . 1 1 6 6 OMG HM2* H 1 3.721 0.002 . 1 . . . . 6 OMG HM2* . 15081 1 55 . 1 1 7 7 C C1' C 13 93.870 0.000 . 1 . . . . 7 C C1' . 15081 1 56 . 1 1 7 7 C C2' C 13 75.586 0.000 . 1 . . . . 7 C C2' . 15081 1 57 . 1 1 7 7 C C5 C 13 97.072 0.000 . 1 . . . . 7 C C5 . 15081 1 58 . 1 1 7 7 C C6 C 13 141.243 0.000 . 1 . . . . 7 C C6 . 15081 1 59 . 1 1 7 7 C H1' H 1 5.536 0.001 . 1 . . . . 7 C H1' . 15081 1 60 . 1 1 7 7 C H2' H 1 4.386 0.004 . 1 . . . . 7 C H2' . 15081 1 61 . 1 1 7 7 C H41 H 1 8.736 0.004 . 1 . . . . 7 C H41 . 15081 1 62 . 1 1 7 7 C H42 H 1 6.931 0.001 . 1 . . . . 7 C H42 . 15081 1 63 . 1 1 7 7 C H5 H 1 5.153 0.002 . 1 . . . . 7 C H5 . 15081 1 64 . 1 1 7 7 C H6 H 1 7.599 0.001 . 1 . . . . 7 C H6 . 15081 1 65 . 1 1 8 8 C C1' C 13 93.901 0.000 . 1 . . . . 8 C C1' . 15081 1 66 . 1 1 8 8 C C2' C 13 75.397 0.000 . 1 . . . . 8 C C2' . 15081 1 67 . 1 1 8 8 C C5 C 13 97.359 0.000 . 1 . . . . 8 C C5 . 15081 1 68 . 1 1 8 8 C C6 C 13 141.384 0.000 . 1 . . . . 8 C C6 . 15081 1 69 . 1 1 8 8 C H1' H 1 5.555 0.002 . 1 . . . . 8 C H1' . 15081 1 70 . 1 1 8 8 C H2' H 1 4.752 0.000 . 1 . . . . 8 C H2' . 15081 1 71 . 1 1 8 8 C H41 H 1 8.400 0.002 . 1 . . . . 8 C H41 . 15081 1 72 . 1 1 8 8 C H42 H 1 6.877 0.002 . 1 . . . . 8 C H42 . 15081 1 73 . 1 1 8 8 C H5 H 1 5.444 0.003 . 1 . . . . 8 C H5 . 15081 1 74 . 1 1 8 8 C H5'' H 1 4.033 0.001 . 1 . . . . 8 C H5'' . 15081 1 75 . 1 1 8 8 C H6 H 1 7.708 0.002 . 1 . . . . 8 C H6 . 15081 1 76 . 1 1 9 9 PSU C1' C 13 83.656 0.000 . 1 . . . . 9 PSU C1' . 15081 1 77 . 1 1 9 9 PSU C2' C 13 75.461 0.000 . 1 . . . . 9 PSU C2' . 15081 1 78 . 1 1 9 9 PSU C3' C 13 74.211 0.000 . 1 . . . . 9 PSU C3' . 15081 1 79 . 1 1 9 9 PSU C6 C 13 140.296 0.000 . 1 . . . . 9 PSU C6 . 15081 1 80 . 1 1 9 9 PSU H1 H 1 10.812 0.004 . 1 . . . . 9 PSU H1 . 15081 1 81 . 1 1 9 9 PSU H1' H 1 4.676 0.002 . 1 . . . . 9 PSU H1' . 15081 1 82 . 1 1 9 9 PSU H2' H 1 3.898 0.008 . 1 . . . . 9 PSU H2' . 15081 1 83 . 1 1 9 9 PSU H3 H 1 11.026 0.004 . 1 . . . . 9 PSU H3 . 15081 1 84 . 1 1 9 9 PSU H3' H 1 4.237 0.002 . 1 . . . . 9 PSU H3' . 15081 1 85 . 1 1 9 9 PSU H5' H 1 4.121 0.004 . 1 . . . . 9 PSU H5' . 15081 1 86 . 1 1 9 9 PSU H5'' H 1 3.931 0.000 . 1 . . . . 9 PSU H5'' . 15081 1 87 . 1 1 9 9 PSU H6 H 1 7.226 0.003 . 1 . . . . 9 PSU H6 . 15081 1 88 . 1 1 10 10 U C1' C 13 93.213 0.000 . 1 . . . . 10 U C1' . 15081 1 89 . 1 1 10 10 U C2' C 13 75.777 0.000 . 1 . . . . 10 U C2' . 15081 1 90 . 1 1 10 10 U C3' C 13 78.887 0.000 . 1 . . . . 10 U C3' . 15081 1 91 . 1 1 10 10 U C6 C 13 143.582 0.000 . 1 . . . . 10 U C6 . 15081 1 92 . 1 1 10 10 U H1' H 1 5.713 0.008 . 1 . . . . 10 U H1' . 15081 1 93 . 1 1 10 10 U H2' H 1 4.197 0.001 . 1 . . . . 10 U H2' . 15081 1 94 . 1 1 10 10 U H3' H 1 4.428 0.001 . 1 . . . . 10 U H3' . 15081 1 95 . 1 1 10 10 U H5 H 1 5.601 0.001 . 1 . . . . 10 U H5 . 15081 1 96 . 1 1 10 10 U H6 H 1 7.693 0.003 . 1 . . . . 10 U H6 . 15081 1 97 . 1 1 11 11 U C1' C 13 90.924 0.000 . 1 . . . . 11 U C1' . 15081 1 98 . 1 1 11 11 U C2' C 13 75.754 0.000 . 1 . . . . 11 U C2' . 15081 1 99 . 1 1 11 11 U C3' C 13 77.162 0.000 . 1 . . . . 11 U C3' . 15081 1 100 . 1 1 11 11 U C6 C 13 143.999 0.000 . 1 . . . . 11 U C6 . 15081 1 101 . 1 1 11 11 U H1' H 1 5.785 0.002 . 1 . . . . 11 U H1' . 15081 1 102 . 1 1 11 11 U H2' H 1 4.349 0.001 . 1 . . . . 11 U H2' . 15081 1 103 . 1 1 11 11 U H3' H 1 4.562 0.000 . 1 . . . . 11 U H3' . 15081 1 104 . 1 1 11 11 U H5 H 1 5.704 0.002 . 1 . . . . 11 U H5 . 15081 1 105 . 1 1 11 11 U H5'' H 1 3.950 0.000 . 1 . . . . 11 U H5'' . 15081 1 106 . 1 1 11 11 U H6 H 1 7.584 0.002 . 1 . . . . 11 U H6 . 15081 1 107 . 1 1 12 12 U C1' C 13 90.240 0.000 . 1 . . . . 12 U C1' . 15081 1 108 . 1 1 12 12 U C3' C 13 75.289 0.000 . 1 . . . . 12 U C3' . 15081 1 109 . 1 1 12 12 U C6 C 13 144.162 0.000 . 1 . . . . 12 U C6 . 15081 1 110 . 1 1 12 12 U H1' H 1 5.861 0.003 . 1 . . . . 12 U H1' . 15081 1 111 . 1 1 12 12 U H2' H 1 4.550 0.000 . 1 . . . . 12 U H2' . 15081 1 112 . 1 1 12 12 U H3' H 1 4.613 0.000 . 1 . . . . 12 U H3' . 15081 1 113 . 1 1 12 12 U H4' H 1 4.488 0.000 . 1 . . . . 12 U H4' . 15081 1 114 . 1 1 12 12 U H5 H 1 5.859 0.002 . 1 . . . . 12 U H5 . 15081 1 115 . 1 1 12 12 U H6 H 1 7.873 0.004 . 1 . . . . 12 U H6 . 15081 1 116 . 1 1 13 13 OMG C1' C 13 89.785 0.000 . 1 . . . . 13 OMG C1' . 15081 1 117 . 1 1 13 13 OMG C8 C 13 137.401 0.000 . 1 . . . . 13 OMG C8 . 15081 1 118 . 1 1 13 13 OMG H1 H 1 12.620 0.003 . 1 . . . . 13 OMG H1 . 15081 1 119 . 1 1 13 13 OMG H1' H 1 5.552 0.001 . 1 . . . . 13 OMG H1' . 15081 1 120 . 1 1 13 13 OMG H2' H 1 4.482 0.000 . 1 . . . . 13 OMG H2' . 15081 1 121 . 1 1 13 13 OMG H21 H 1 8.529 0.000 . 1 . . . . 13 OMG H21 . 15081 1 122 . 1 1 13 13 OMG H22 H 1 6.462 0.003 . 1 . . . . 13 OMG H22 . 15081 1 123 . 1 1 13 13 OMG H8 H 1 7.805 0.004 . 1 . . . . 13 OMG H8 . 15081 1 124 . 1 1 13 13 OMG HM2* H 1 3.789 0.003 . 1 . . . . 13 OMG HM2* . 15081 1 125 . 1 1 14 14 G C1' C 13 93.076 0.000 . 1 . . . . 14 GUA C1' . 15081 1 126 . 1 1 14 14 G C2' C 13 75.632 0.000 . 1 . . . . 14 GUA C2' . 15081 1 127 . 1 1 14 14 G C8 C 13 136.299 0.000 . 1 . . . . 14 GUA C8 . 15081 1 128 . 1 1 14 14 G H1 H 1 13.299 0.005 . 1 . . . . 14 GUA H1 . 15081 1 129 . 1 1 14 14 G H1' H 1 5.859 0.001 . 1 . . . . 14 GUA H1' . 15081 1 130 . 1 1 14 14 G H2' H 1 4.568 0.002 . 1 . . . . 14 GUA H2' . 15081 1 131 . 1 1 14 14 G H21 H 1 8.395 0.000 . 1 . . . . 14 GUA H21 . 15081 1 132 . 1 1 14 14 G H3' H 1 4.403 0.002 . 1 . . . . 14 GUA H3' . 15081 1 133 . 1 1 14 14 G H8 H 1 7.293 0.003 . 1 . . . . 14 GUA H8 . 15081 1 134 . 1 1 15 15 C C1' C 13 92.730 0.000 . 1 . . . . 15 C C1' . 15081 1 135 . 1 1 15 15 C C2' C 13 75.456 0.000 . 1 . . . . 15 C C2' . 15081 1 136 . 1 1 15 15 C C5 C 13 97.256 0.000 . 1 . . . . 15 C C5 . 15081 1 137 . 1 1 15 15 C C6 C 13 140.937 0.000 . 1 . . . . 15 C C6 . 15081 1 138 . 1 1 15 15 C H1' H 1 5.555 0.002 . 1 . . . . 15 C H1' . 15081 1 139 . 1 1 15 15 C H2' H 1 4.690 0.002 . 1 . . . . 15 C H2' . 15081 1 140 . 1 1 15 15 C H41 H 1 8.618 0.002 . 1 . . . . 15 C H41 . 15081 1 141 . 1 1 15 15 C H42 H 1 6.947 0.006 . 1 . . . . 15 C H42 . 15081 1 142 . 1 1 15 15 C H5 H 1 5.224 0.006 . 1 . . . . 15 C H5 . 15081 1 143 . 1 1 15 15 C H5'' H 1 4.045 0.000 . 1 . . . . 15 C H5'' . 15081 1 144 . 1 1 15 15 C H6 H 1 7.508 0.003 . 1 . . . . 15 C H6 . 15081 1 145 . 1 1 16 16 U C1' C 13 94.119 0.000 . 1 . . . . 16 U C1' . 15081 1 146 . 1 1 16 16 U C6 C 13 141.294 0.000 . 1 . . . . 16 U C6 . 15081 1 147 . 1 1 16 16 U H1' H 1 5.680 0.002 . 1 . . . . 16 U H1' . 15081 1 148 . 1 1 16 16 U H2' H 1 4.422 0.004 . 1 . . . . 16 U H2' . 15081 1 149 . 1 1 16 16 U H3 H 1 11.965 0.002 . 1 . . . . 16 U H3 . 15081 1 150 . 1 1 16 16 U H5 H 1 5.686 0.002 . 1 . . . . 16 U H5 . 15081 1 151 . 1 1 16 16 U H6 H 1 7.742 0.010 . 1 . . . . 16 U H6 . 15081 1 152 . 1 1 17 17 A C1' C 13 93.556 0.000 . 1 . . . . 17 A C1' . 15081 1 153 . 1 1 17 17 A C2' C 13 75.676 0.000 . 1 . . . . 17 A C2' . 15081 1 154 . 1 1 17 17 A H1' H 1 5.897 0.002 . 1 . . . . 17 A H1' . 15081 1 155 . 1 1 17 17 A H2 H 1 7.732 0.000 . 1 . . . . 17 A H2 . 15081 1 156 . 1 1 17 17 A H2' H 1 4.795 0.002 . 1 . . . . 17 A H2' . 15081 1 157 . 1 1 17 17 A H3' H 1 4.612 0.000 . 1 . . . . 17 A H3' . 15081 1 158 . 1 1 17 17 A H8 H 1 8.309 0.022 . 1 . . . . 17 A H8 . 15081 1 159 . 1 1 18 18 A C1' C 13 92.776 0.000 . 1 . . . . 18 A C1' . 15081 1 160 . 1 1 18 18 A C2 C 13 153.870 0.000 . 1 . . . . 18 A C2 . 15081 1 161 . 1 1 18 18 A C2' C 13 75.659 0.000 . 1 . . . . 18 A C2' . 15081 1 162 . 1 1 18 18 A C3' C 13 72.991 0.000 . 1 . . . . 18 A C3' . 15081 1 163 . 1 1 18 18 A C8 C 13 139.120 0.000 . 1 . . . . 18 A C8 . 15081 1 164 . 1 1 18 18 A H1' H 1 5.647 0.002 . 1 . . . . 18 A H1' . 15081 1 165 . 1 1 18 18 A H2 H 1 7.566 0.015 . 1 . . . . 18 A H2 . 15081 1 166 . 1 1 18 18 A H2' H 1 4.497 0.003 . 1 . . . . 18 A H2' . 15081 1 167 . 1 1 18 18 A H3' H 1 4.598 0.002 . 1 . . . . 18 A H3' . 15081 1 168 . 1 1 18 18 A H61 H 1 7.638 0.000 . 1 . . . . 18 A H61 . 15081 1 169 . 1 1 18 18 A H62 H 1 6.937 0.000 . 1 . . . . 18 A H62 . 15081 1 170 . 1 1 18 18 A H8 H 1 7.627 0.001 . 1 . . . . 18 A H8 . 15081 1 171 . 1 1 19 19 OMG C1' C 13 88.866 0.000 . 1 . . . . 19 OMG C1' . 15081 1 172 . 1 1 19 19 OMG C2' C 13 83.932 0.000 . 1 . . . . 19 OMG C2' . 15081 1 173 . 1 1 19 19 OMG C8 C 13 136.039 0.000 . 1 . . . . 19 OMG C8 . 15081 1 174 . 1 1 19 19 OMG H1 H 1 12.691 0.001 . 1 . . . . 19 OMG H1 . 15081 1 175 . 1 1 19 19 OMG H1' H 1 5.712 0.001 . 1 . . . . 19 OMG H1' . 15081 1 176 . 1 1 19 19 OMG H2' H 1 4.078 0.001 . 1 . . . . 19 OMG H2' . 15081 1 177 . 1 1 19 19 OMG H21 H 1 8.017 0.006 . 1 . . . . 19 OMG H21 . 15081 1 178 . 1 1 19 19 OMG H22 H 1 6.242 0.000 . 1 . . . . 19 OMG H22 . 15081 1 179 . 1 1 19 19 OMG H8 H 1 7.082 0.002 . 1 . . . . 19 OMG H8 . 15081 1 180 . 1 1 19 19 OMG HM2* H 1 3.713 0.012 . 1 . . . . 19 OMG HM2* . 15081 1 181 . 1 1 20 20 A C1' C 13 91.583 0.000 . 1 . . . . 20 A C1' . 15081 1 182 . 1 1 20 20 A C2 C 13 155.017 0.000 . 1 . . . . 20 A C2 . 15081 1 183 . 1 1 20 20 A C2' C 13 77.945 0.000 . 1 . . . . 20 A C2' . 15081 1 184 . 1 1 20 20 A C3' C 13 70.536 0.000 . 1 . . . . 20 A C3' . 15081 1 185 . 1 1 20 20 A C4' C 13 83.921 0.000 . 1 . . . . 20 A C4' . 15081 1 186 . 1 1 20 20 A C8 C 13 140.172 0.000 . 1 . . . . 20 A C8 . 15081 1 187 . 1 1 20 20 A H1' H 1 6.010 0.001 . 1 . . . . 20 A H1' . 15081 1 188 . 1 1 20 20 A H2 H 1 8.031 0.002 . 1 . . . . 20 A H2 . 15081 1 189 . 1 1 20 20 A H2' H 1 4.108 0.001 . 1 . . . . 20 A H2' . 15081 1 190 . 1 1 20 20 A H3' H 1 4.248 0.002 . 1 . . . . 20 A H3' . 15081 1 191 . 1 1 20 20 A H4' H 1 4.270 0.001 . 1 . . . . 20 A H4' . 15081 1 192 . 1 1 20 20 A H8 H 1 7.749 0.001 . 1 . . . . 20 A H8 . 15081 1 stop_ save_