################################### # 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 17406 _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-15N HSQC' . . . 17406 1 4 '2D 1H-13C HSQC' . . . 17406 1 5 '2D 1H-1H NOESY' . . . 17406 1 8 '2D 1H-1H NOESY' . . . 17406 1 10 '2D 1H-1H TOCSY' . . . 17406 1 13 '2D 31P-1H COSY' . . . 17406 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 13.191 0.004 . 1 . . . B 1 G H1 8 17406 1 2 . 1 1 1 1 G H1' H 1 5.839 0.004 . 1 . . . B 1 G H1' 7 17406 1 3 . 1 1 1 1 G H2' H 1 4.780 0.004 . 1 . . . B 1 G H2' 7 17406 1 4 . 1 1 1 1 G H3' H 1 4.499 0.004 . 1 . . . B 1 G H3' 7 17406 1 5 . 1 1 1 1 G H4' H 1 4.422 0.004 . 1 . . . B 1 G H4' 3 17406 1 6 . 1 1 1 1 G H8 H 1 8.081 0.004 . 1 . . . B 1 G H8 7 17406 1 7 . 1 1 1 1 G H21 H 1 8.632 0.004 . 2 . . . B 1 G H21 3 17406 1 8 . 1 1 1 1 G H22 H 1 6.598 0.004 . 2 . . . B 1 G H22 3 17406 1 9 . 1 1 1 1 G C8 C 13 139.186 0.020 . 1 . . . B 1 G C8 1 17406 1 10 . 1 1 2 2 U H1' H 1 5.610 0.004 . 1 . . . B 2 U H1' 8 17406 1 11 . 1 1 2 2 U H2' H 1 4.677 0.004 . 1 . . . B 2 U H2' 6 17406 1 12 . 1 1 2 2 U H3 H 1 13.508 0.004 . 1 . . . B 2 U H3 7 17406 1 13 . 1 1 2 2 U H3' H 1 4.636 0.004 . 1 . . . B 2 U H3' 5 17406 1 14 . 1 1 2 2 U H4' H 1 4.495 0.004 . 1 . . . B 2 U H4' 3 17406 1 15 . 1 1 2 2 U H5 H 1 5.059 0.004 . 1 . . . B 2 U H5 5 17406 1 16 . 1 1 2 2 U H6 H 1 7.876 0.004 . 1 . . . B 2 U H6 11 17406 1 17 . 1 1 2 2 U C6 C 13 142.208 0.020 . 1 . . . B 2 U C6 1 17406 1 18 . 1 1 2 2 U P P 31 -1.222 0.020 . 1 . . . B 2 U P 1 17406 1 19 . 1 1 3 3 G H1 H 1 12.401 0.004 . 1 . . . B 3 G H1 9 17406 1 20 . 1 1 3 3 G H1' H 1 5.841 0.004 . 1 . . . B 3 G H1' 10 17406 1 21 . 1 1 3 3 G H2' H 1 4.946 0.004 . 1 . . . B 3 G H2' 8 17406 1 22 . 1 1 3 3 G H3' H 1 4.511 0.004 . 1 . . . B 3 G H3' 6 17406 1 23 . 1 1 3 3 G H4' H 1 4.548 0.004 . 1 . . . B 3 G H4' 7 17406 1 24 . 1 1 3 3 G H8 H 1 7.570 0.004 . 1 . . . B 3 G H8 9 17406 1 25 . 1 1 3 3 G H21 H 1 8.190 0.004 . 2 . . . B 3 G H21 2 17406 1 26 . 1 1 3 3 G H22 H 1 6.175 0.004 . 2 . . . B 3 G H22 2 17406 1 27 . 1 1 3 3 G C8 C 13 136.342 0.020 . 1 . . . B 3 G C8 1 17406 1 28 . 1 1 3 3 G P P 31 -0.470 0.020 . 1 . . . B 3 G P 1 17406 1 29 . 1 1 4 4 A H1' H 1 5.476 0.004 . 1 . . . B 4 A H1' 8 17406 1 30 . 1 1 4 4 A H2 H 1 9.385 0.004 . 1 . . . B 4 A H2 4 17406 1 31 . 1 1 4 4 A H2' H 1 4.434 0.004 . 1 . . . B 4 A H2' 5 17406 1 32 . 1 1 4 4 A H3' H 1 4.874 0.004 . 1 . . . B 4 A H3' 8 17406 1 33 . 1 1 4 4 A H4' H 1 4.618 0.004 . 1 . . . B 4 A H4' 5 17406 1 34 . 1 1 4 4 A H8 H 1 8.104 0.004 . 1 . . . B 4 A H8 9 17406 1 35 . 1 1 4 4 A C8 C 13 139.980 0.020 . 1 . . . B 4 A C8 1 17406 1 36 . 1 1 4 4 A P P 31 -0.754 0.020 . 1 . . . B 4 A P 1 17406 1 37 . 1 1 5 5 A H1' H 1 5.665 0.004 . 1 . . . B 5 A H1' 8 17406 1 38 . 1 1 5 5 A H2 H 1 7.136 0.004 . 1 . . . B 5 A H2 4 17406 1 39 . 1 1 5 5 A H2' H 1 4.543 0.004 . 1 . . . B 5 A H2' 4 17406 1 40 . 1 1 5 5 A H3' H 1 4.798 0.004 . 1 . . . B 5 A H3' 3 17406 1 41 . 1 1 5 5 A H4' H 1 4.589 0.004 . 1 . . . B 5 A H4' 3 17406 1 42 . 1 1 5 5 A H8 H 1 8.583 0.004 . 1 . . . B 5 A H8 4 17406 1 43 . 1 1 5 5 A C2 C 13 152.542 0.020 . 1 . . . B 5 A C2 1 17406 1 44 . 1 1 5 5 A C8 C 13 142.382 0.020 . 1 . . . B 5 A C8 1 17406 1 45 . 1 1 5 5 A P P 31 -1.869 0.020 . 1 . . . B 5 A P 2 17406 1 46 . 1 1 6 6 G H1 H 1 10.803 0.004 . 1 . . . B 6 G H1 2 17406 1 47 . 1 1 6 6 G H1' H 1 5.862 0.004 . 1 . . . B 6 G H1' 8 17406 1 48 . 1 1 6 6 G H2' H 1 4.645 0.004 . 1 . . . B 6 G H2' 5 17406 1 49 . 1 1 6 6 G H3' H 1 4.561 0.004 . 1 . . . B 6 G H3' 5 17406 1 50 . 1 1 6 6 G H4' H 1 4.504 0.004 . 1 . . . B 6 G H4' 2 17406 1 51 . 1 1 6 6 G H8 H 1 7.688 0.004 . 1 . . . B 6 G H8 7 17406 1 52 . 1 1 6 6 G H21 H 1 6.581 0.004 . 2 . . . B 6 G H21 1 17406 1 53 . 1 1 6 6 G H22 H 1 6.581 0.004 . 2 . . . B 6 G H22 1 17406 1 54 . 1 1 6 6 G C8 C 13 136.984 0.020 . 1 . . . B 6 G C8 1 17406 1 55 . 1 1 6 6 G P P 31 -1.259 0.020 . 1 . . . B 6 G P 1 17406 1 56 . 1 1 7 7 C H1' H 1 5.415 0.004 . 1 . . . B 7 C H1' 6 17406 1 57 . 1 1 7 7 C H2' H 1 4.212 0.004 . 1 . . . B 7 C H2' 8 17406 1 58 . 1 1 7 7 C H3' H 1 4.367 0.004 . 1 . . . B 7 C H3' 7 17406 1 59 . 1 1 7 7 C H4' H 1 4.389 0.004 . 1 . . . B 7 C H4' 4 17406 1 60 . 1 1 7 7 C H5 H 1 5.528 0.004 . 1 . . . B 7 C H5 9 17406 1 61 . 1 1 7 7 C H6 H 1 7.472 0.004 . 1 . . . B 7 C H6 13 17406 1 62 . 1 1 7 7 C H41 H 1 8.230 0.004 . 2 . . . B 7 C H41 2 17406 1 63 . 1 1 7 7 C H42 H 1 7.245 0.004 . 2 . . . B 7 C H42 2 17406 1 64 . 1 1 7 7 C C6 C 13 139.342 0.020 . 1 . . . B 7 C C6 1 17406 1 65 . 1 1 7 7 C P P 31 -1.049 0.020 . 1 . . . B 7 C P 1 17406 1 66 . 1 1 8 8 C H1' H 1 5.587 0.004 . 1 . . . B 8 C H1' 10 17406 1 67 . 1 1 8 8 C H2' H 1 4.311 0.004 . 1 . . . B 8 C H2' 5 17406 1 68 . 1 1 8 8 C H3' H 1 4.476 0.004 . 1 . . . B 8 C H3' 5 17406 1 69 . 1 1 8 8 C H4' H 1 4.386 0.004 . 1 . . . B 8 C H4' 2 17406 1 70 . 1 1 8 8 C H5 H 1 5.721 0.004 . 1 . . . B 8 C H5 9 17406 1 71 . 1 1 8 8 C H6 H 1 7.698 0.004 . 1 . . . B 8 C H6 14 17406 1 72 . 1 1 8 8 C H41 H 1 8.486 0.004 . 2 . . . B 8 C H41 5 17406 1 73 . 1 1 8 8 C H42 H 1 7.181 0.004 . 2 . . . B 8 C H42 3 17406 1 74 . 1 1 8 8 C P P 31 -0.969 0.020 . 1 . . . B 8 C P 1 17406 1 75 . 1 1 9 9 C H1' H 1 5.423 0.004 . 1 . . . B 9 C H1' 6 17406 1 76 . 1 1 9 9 C H2' H 1 4.414 0.004 . 1 . . . B 9 C H2' 6 17406 1 77 . 1 1 9 9 C H3' H 1 4.508 0.004 . 1 . . . B 9 C H3' 6 17406 1 78 . 1 1 9 9 C H4' H 1 4.380 0.004 . 1 . . . B 9 C H4' 2 17406 1 79 . 1 1 9 9 C H5 H 1 5.500 0.004 . 1 . . . B 9 C H5 7 17406 1 80 . 1 1 9 9 C H6 H 1 7.733 0.004 . 1 . . . B 9 C H6 10 17406 1 81 . 1 1 9 9 C H41 H 1 8.216 0.004 . 2 . . . B 9 C H41 3 17406 1 82 . 1 1 9 9 C H42 H 1 6.894 0.004 . 2 . . . B 9 C H42 3 17406 1 83 . 1 1 9 9 C P P 31 -1.101 0.020 . 1 . . . B 9 C P 1 17406 1 84 . 1 1 10 10 G H1' H 1 5.709 0.004 . 1 . . . B 10 G H1' 8 17406 1 85 . 1 1 10 10 G H2' H 1 4.327 0.004 . 1 . . . B 10 G H2' 10 17406 1 86 . 1 1 10 10 G H3' H 1 4.423 0.004 . 1 . . . B 10 G H3' 6 17406 1 87 . 1 1 10 10 G H4' H 1 4.385 0.004 . 1 . . . B 10 G H4' 5 17406 1 88 . 1 1 10 10 G H8 H 1 7.442 0.004 . 1 . . . B 10 G H8 10 17406 1 89 . 1 1 10 10 G C8 C 13 136.514 0.020 . 1 . . . B 10 G C8 1 17406 1 90 . 1 1 10 10 G P P 31 -0.750 0.020 . 1 . . . B 10 G P 1 17406 1 91 . 1 1 11 11 U H1' H 1 5.666 0.004 . 1 . . . B 11 U H1' 8 17406 1 92 . 1 1 11 11 U H2' H 1 4.020 0.004 . 1 . . . B 11 U H2' 9 17406 1 93 . 1 1 11 11 U H3' H 1 4.129 0.004 . 1 . . . B 11 U H3' 7 17406 1 94 . 1 1 11 11 U H4' H 1 4.155 0.004 . 1 . . . B 11 U H4' 6 17406 1 95 . 1 1 11 11 U H5 H 1 5.339 0.004 . 1 . . . B 11 U H5 5 17406 1 96 . 1 1 11 11 U H6 H 1 7.554 0.004 . 1 . . . B 11 U H6 16 17406 1 97 . 1 1 11 11 U C6 C 13 142.386 0.020 . 1 . . . B 11 U C6 1 17406 1 98 . 1 1 11 11 U P P 31 -0.911 0.020 . 1 . . . B 11 U P 2 17406 1 99 . 2 2 1 1 C H1' H 1 5.704 0.004 . 1 . . . B 12 C H1' 7 17406 1 100 . 2 2 1 1 C H2' H 1 4.680 0.004 . 1 . . . B 12 C H2' 5 17406 1 101 . 2 2 1 1 C H3' H 1 4.615 0.004 . 1 . . . B 12 C H3' 5 17406 1 102 . 2 2 1 1 C H4' H 1 4.401 0.004 . 1 . . . B 12 C H4' 5 17406 1 103 . 2 2 1 1 C H5 H 1 6.051 0.004 . 1 . . . B 12 C H5 7 17406 1 104 . 2 2 1 1 C H6 H 1 8.099 0.004 . 1 . . . B 12 C H6 12 17406 1 105 . 2 2 1 1 C C6 C 13 143.338 0.020 . 1 . . . B 12 C C6 1 17406 1 106 . 2 2 2 2 G H1 H 1 12.365 0.004 . 1 . . . B 13 G H1 7 17406 1 107 . 2 2 2 2 G H1' H 1 5.815 0.004 . 1 . . . B 13 G H1' 7 17406 1 108 . 2 2 2 2 G H2' H 1 4.686 0.004 . 1 . . . B 13 G H2' 5 17406 1 109 . 2 2 2 2 G H3' H 1 4.646 0.004 . 1 . . . B 13 G H3' 5 17406 1 110 . 2 2 2 2 G H4' H 1 4.558 0.004 . 1 . . . B 13 G H4' 3 17406 1 111 . 2 2 2 2 G H8 H 1 7.810 0.004 . 1 . . . B 13 G H8 6 17406 1 112 . 2 2 2 2 G H21 H 1 8.050 0.004 . 2 . . . B 13 G H21 2 17406 1 113 . 2 2 2 2 G H22 H 1 6.021 0.004 . 2 . . . B 13 G H22 2 17406 1 114 . 2 2 2 2 G C8 C 13 136.979 0.020 . 1 . . . B 13 G C8 1 17406 1 115 . 2 2 2 2 G P P 31 -0.630 0.020 . 1 . . . B 13 G P 1 17406 1 116 . 2 2 3 3 G H1 H 1 12.162 0.004 . 1 . . . B 14 G H1 9 17406 1 117 . 2 2 3 3 G H1' H 1 5.666 0.004 . 1 . . . B 14 G H1' 7 17406 1 118 . 2 2 3 3 G H2' H 1 4.545 0.004 . 1 . . . B 14 G H2' 4 17406 1 119 . 2 2 3 3 G H3' H 1 4.654 0.004 . 1 . . . B 14 G H3' 6 17406 1 120 . 2 2 3 3 G H4' H 1 4.468 0.004 . 1 . . . B 14 G H4' 2 17406 1 121 . 2 2 3 3 G H8 H 1 7.338 0.004 . 1 . . . B 14 G H8 7 17406 1 122 . 2 2 3 3 G C8 C 13 136.672 0.020 . 1 . . . B 14 G C8 1 17406 1 123 . 2 2 3 3 G P P 31 -1.271 0.020 . 1 . . . B 14 G P 1 17406 1 124 . 2 2 4 4 A H1' H 1 5.820 0.004 . 1 . . . B 15 A H1' 6 17406 1 125 . 2 2 4 4 A H2 H 1 7.868 0.004 . 1 . . . B 15 A H2 8 17406 1 126 . 2 2 4 4 A H2' H 1 4.533 0.004 . 1 . . . B 15 A H2' 4 17406 1 127 . 2 2 4 4 A H3' H 1 4.591 0.004 . 1 . . . B 15 A H3' 3 17406 1 128 . 2 2 4 4 A H8 H 1 7.769 0.004 . 1 . . . B 15 A H8 10 17406 1 129 . 2 2 4 4 A C2 C 13 155.826 0.020 . 1 . . . B 15 A C2 1 17406 1 130 . 2 2 4 4 A C8 C 13 138.681 0.020 . 1 . . . B 15 A C8 1 17406 1 131 . 2 2 4 4 A P P 31 -1.272 0.020 . 1 . . . B 15 A P 1 17406 1 132 . 2 2 5 5 G H1 H 1 11.065 0.004 . 1 . . . B 16 G H1 9 17406 1 133 . 2 2 5 5 G H1' H 1 5.131 0.004 . 1 . . . B 16 G H1' 11 17406 1 134 . 2 2 5 5 G H2' H 1 3.615 0.004 . 1 . . . B 16 G H2' 14 17406 1 135 . 2 2 5 5 G H3' H 1 4.423 0.004 . 1 . . . B 16 G H3' 8 17406 1 136 . 2 2 5 5 G H4' H 1 4.257 0.004 . 1 . . . B 16 G H4' 7 17406 1 137 . 2 2 5 5 G H8 H 1 7.281 0.004 . 1 . . . B 16 G H8 10 17406 1 138 . 2 2 5 5 G H21 H 1 6.223 0.004 . 2 . . . B 16 G H21 1 17406 1 139 . 2 2 5 5 G H22 H 1 6.223 0.004 . 2 . . . B 16 G H22 1 17406 1 140 . 2 2 5 5 G C8 C 13 136.136 0.020 . 1 . . . B 16 G C8 1 17406 1 141 . 2 2 5 5 G P P 31 -1.000 0.020 . 1 . . . B 16 G P 2 17406 1 142 . 2 2 6 6 G H1 H 1 10.587 0.004 . 1 . . . B 17 G H1 8 17406 1 143 . 2 2 6 6 G H1' H 1 5.798 0.004 . 1 . . . B 17 G H1' 12 17406 1 144 . 2 2 6 6 G H2' H 1 4.939 0.004 . 1 . . . B 17 G H2' 7 17406 1 145 . 2 2 6 6 G H3' H 1 5.065 0.004 . 1 . . . B 17 G H3' 11 17406 1 146 . 2 2 6 6 G H4' H 1 4.728 0.004 . 1 . . . B 17 G H4' 8 17406 1 147 . 2 2 6 6 G H8 H 1 8.141 0.004 . 1 . . . B 17 G H8 6 17406 1 148 . 2 2 6 6 G H21 H 1 9.380 0.004 . 2 . . . B 17 G H21 5 17406 1 149 . 2 2 6 6 G H22 H 1 5.436 0.004 . 2 . . . B 17 G H22 2 17406 1 150 . 2 2 6 6 G C8 C 13 139.715 0.020 . 1 . . . B 17 G C8 1 17406 1 151 . 2 2 6 6 G P P 31 -1.768 0.020 . 1 . . . B 17 G P 3 17406 1 152 . 2 2 7 7 A H1' H 1 5.621 0.004 . 1 . . . B 18 A H1' 11 17406 1 153 . 2 2 7 7 A H2 H 1 7.805 0.004 . 1 . . . B 18 A H2 4 17406 1 154 . 2 2 7 7 A H2' H 1 4.792 0.004 . 1 . . . B 18 A H2' 7 17406 1 155 . 2 2 7 7 A H3' H 1 4.547 0.004 . 1 . . . B 18 A H3' 10 17406 1 156 . 2 2 7 7 A H4' H 1 4.569 0.004 . 1 . . . B 18 A H4' 4 17406 1 157 . 2 2 7 7 A H8 H 1 8.192 0.004 . 1 . . . B 18 A H8 11 17406 1 158 . 2 2 7 7 A C2 C 13 153.542 0.020 . 1 . . . B 18 A C2 1 17406 1 159 . 2 2 7 7 A C8 C 13 141.296 0.020 . 1 . . . B 18 A C8 1 17406 1 160 . 2 2 7 7 A P P 31 2.426 0.020 . 1 . . . B 18 A P 2 17406 1 161 . 2 2 8 8 C H1' H 1 3.935 0.004 . 1 . . . B 19 C H1' 8 17406 1 162 . 2 2 8 8 C H2' H 1 4.313 0.004 . 1 . . . B 19 C H2' 6 17406 1 163 . 2 2 8 8 C H3' H 1 4.407 0.004 . 1 . . . B 19 C H3' 5 17406 1 164 . 2 2 8 8 C H4' H 1 4.238 0.004 . 1 . . . B 19 C H4' 3 17406 1 165 . 2 2 8 8 C H5 H 1 6.124 0.004 . 1 . . . B 19 C H5 12 17406 1 166 . 2 2 8 8 C H6 H 1 7.647 0.004 . 1 . . . B 19 C H6 13 17406 1 167 . 2 2 8 8 C H41 H 1 6.888 0.004 . 2 . . . B 19 C H41 4 17406 1 168 . 2 2 8 8 C H42 H 1 8.207 0.004 . 2 . . . B 19 C H42 3 17406 1 169 . 2 2 8 8 C C6 C 13 140.084 0.020 . 1 . . . B 19 C C6 1 17406 1 170 . 2 2 8 8 C P P 31 -1.375 0.020 . 1 . . . B 19 C P 2 17406 1 171 . 2 2 9 9 A H1' H 1 5.898 0.004 . 1 . . . B 20 A H1' 8 17406 1 172 . 2 2 9 9 A H2 H 1 7.384 0.004 . 1 . . . B 20 A H2 4 17406 1 173 . 2 2 9 9 A H2' H 1 4.495 0.004 . 1 . . . B 20 A H2' 6 17406 1 174 . 2 2 9 9 A H3' H 1 4.598 0.004 . 1 . . . B 20 A H3' 5 17406 1 175 . 2 2 9 9 A H4' H 1 4.449 0.004 . 1 . . . B 20 A H4' 2 17406 1 176 . 2 2 9 9 A H8 H 1 8.010 0.004 . 1 . . . B 20 A H8 6 17406 1 177 . 2 2 9 9 A H61 H 1 8.116 0.004 . 2 . . . B 20 A H61 2 17406 1 178 . 2 2 9 9 A H62 H 1 6.478 0.004 . 2 . . . B 20 A H62 2 17406 1 179 . 2 2 9 9 A C2 C 13 153.493 0.020 . 1 . . . B 20 A C2 1 17406 1 180 . 2 2 9 9 A C8 C 13 139.664 0.020 . 1 . . . B 20 A C8 1 17406 1 181 . 2 2 9 9 A P P 31 -1.041 0.020 . 1 . . . B 20 A P 1 17406 1 182 . 2 2 10 10 C H1' H 1 5.395 0.004 . 1 . . . B 21 C H1' 10 17406 1 183 . 2 2 10 10 C H2' H 1 4.182 0.004 . 1 . . . B 21 C H2' 7 17406 1 184 . 2 2 10 10 C H3' H 1 4.166 0.004 . 1 . . . B 21 C H3' 3 17406 1 185 . 2 2 10 10 C H4' H 1 4.343 0.004 . 1 . . . B 21 C H4' 3 17406 1 186 . 2 2 10 10 C H5 H 1 5.117 0.004 . 1 . . . B 21 C H5 7 17406 1 187 . 2 2 10 10 C H6 H 1 7.316 0.004 . 1 . . . B 21 C H6 11 17406 1 188 . 2 2 10 10 C H41 H 1 7.087 0.004 . 2 . . . B 21 C H41 5 17406 1 189 . 2 2 10 10 C H42 H 1 8.301 0.004 . 2 . . . B 21 C H42 5 17406 1 190 . 2 2 10 10 C C6 C 13 140.560 0.020 . 1 . . . B 21 C C6 1 17406 1 191 . 2 2 10 10 C P P 31 -1.001 0.020 . 1 . . . B 21 C P 1 17406 1 192 . 2 2 11 11 U H1' H 1 5.645 0.004 . 1 . . . B 22 U H1' 8 17406 1 193 . 2 2 11 11 U H2' H 1 3.913 0.004 . 1 . . . B 22 U H2' 6 17406 1 194 . 2 2 11 11 U H3 H 1 10.873 0.004 . 1 . . . B 22 U H3 8 17406 1 195 . 2 2 11 11 U H3' H 1 4.118 0.004 . 1 . . . B 22 U H3' 5 17406 1 196 . 2 2 11 11 U H4' H 1 4.102 0.004 . 1 . . . B 22 U H4' 3 17406 1 197 . 2 2 11 11 U H5 H 1 5.443 0.004 . 1 . . . B 22 U H5 6 17406 1 198 . 2 2 11 11 U H6 H 1 7.671 0.004 . 1 . . . B 22 U H6 10 17406 1 199 . 2 2 11 11 U C6 C 13 142.314 0.020 . 1 . . . B 22 U C6 1 17406 1 200 . 2 2 11 11 U P P 31 -0.830 0.020 . 1 . . . B 22 U P 1 17406 1 201 . 1 1 1 1 G N1 N 15 148.388 0.030 . 1 . . . B 1 G N1 1 17406 1 202 . 1 1 2 2 U N3 N 15 161.966 0.030 . 1 . . . B 2 U N3 1 17406 1 203 . 1 1 3 3 G N1 N 15 147.014 0.030 . 1 . . . B 3 G N1 1 17406 1 204 . 2 2 2 2 G N1 N 15 147.014 0.030 . 1 . . . B 13 G N1 1 17406 1 205 . 2 2 3 3 G N1 N 15 146.295 0.030 . 1 . . . B 14 G N1 1 17406 1 206 . 2 2 5 5 G N1 N 15 146.011 0.030 . 1 . . . B 16 G N1 1 17406 1 207 . 2 2 6 6 G N1 N 15 146.570 0.030 . 1 . . . B 17 G N1 1 17406 1 208 . 2 2 11 11 U N3 N 15 158.401 0.030 . 1 . . . B 22 U N3 1 17406 1 stop_ save_