################################### # 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_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Assigned_chem_shifts _Assigned_chem_shift_list.Entry_ID 17535 _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 2 '2D 1H-13C HSQC' . . . 17535 1 3 '2D 1H-1H TOCSY' . . . 17535 1 5 '2D 1H-1H NOESY' . . . 17535 1 6 '2D 1H-31P CORR' . . . 17535 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 DA H1' H 1 6.259 0.002 34 . . . . . 1 A H1' . 17535 1 2 . 1 1 1 1 DA H2 H 1 8.039 0.002 14 1 . . . . 1 A H2 . 17535 1 3 . 1 1 1 1 DA H2' H 1 2.726 0.006 20 . . . . . 1 A H2' . 17535 1 4 . 1 1 1 1 DA H2'' H 1 2.843 0.003 20 2 . . . . 1 A H2'' . 17535 1 5 . 1 1 1 1 DA H3' H 1 4.874 0.002 32 . . . . . 1 A H3' . 17535 1 6 . 1 1 1 1 DA H4' H 1 4.277 0.001 16 . . . . . 1 A H4' . 17535 1 7 . 1 1 1 1 DA H8 H 1 8.245 0.001 32 1 . . . . 1 A H8 . 17535 1 8 . 1 1 1 1 DA C1' C 13 87.8 . . . . . . . 1 A C1' . 17535 1 9 . 1 1 1 1 DA C8 C 13 142.4 . . 1 . . . . 1 A C8 . 17535 1 10 . 1 1 2 2 DT H1' H 1 6.087 0.002 32 . . . . . 2 T H1' . 17535 1 11 . 1 1 2 2 DT H2' H 1 2.400 0.002 20 . . . . . 2 T H2' . 17535 1 12 . 1 1 2 2 DT H2'' H 1 2.631 0.002 16 2 . . . . 2 T H2'' . 17535 1 13 . 1 1 2 2 DT H3 H 1 13.766 . . 1 . . . . 2 T H3 . 17535 1 14 . 1 1 2 2 DT H3' H 1 4.928 0.002 24 . . . . . 2 T H3' . 17535 1 15 . 1 1 2 2 DT H4' H 1 4.334 0.002 12 . . . . . 2 T H4' . 17535 1 16 . 1 1 2 2 DT H6 H 1 7.489 0.003 56 1 . . . . 2 T H6 . 17535 1 17 . 1 1 2 2 DT H71 H 1 1.489 0.001 44 1 . . . . 2 T H7 . 17535 1 18 . 1 1 2 2 DT H72 H 1 1.489 0.001 44 1 . . . . 2 T H7 . 17535 1 19 . 1 1 2 2 DT H73 H 1 1.489 0.001 44 1 . . . . 2 T H7 . 17535 1 20 . 1 1 2 2 DT C1' C 13 86.2 . . . . . . . 2 T C1' . 17535 1 21 . 1 1 2 2 DT C6 C 13 138.8 . . 1 . . . . 2 T C6 . 17535 1 22 . 1 1 2 2 DT P P 31 -0.513 . . 1 . . . . 2 T P . 17535 1 23 . 1 1 3 3 DG H1 H 1 12.334 . . 1 . . . . 3 G H1 . 17535 1 24 . 1 1 3 3 DG H1' H 1 5.989 0.002 20 . . . . . 3 G H1' . 17535 1 25 . 1 1 3 3 DG H2' H 1 2.717 0.001 30 . . . . . 3 G H2' . 17535 1 26 . 1 1 3 3 DG H2'' H 1 2.717 0.001 30 2 . . . . 3 G H2'' . 17535 1 27 . 1 1 3 3 DG H3' H 1 4.878 0.002 20 . . . . . 3 G H3' . 17535 1 28 . 1 1 3 3 DG H4' H 1 4.409 0.001 16 . . . . . 3 G H4' . 17535 1 29 . 1 1 3 3 DG H8 H 1 7.758 0.003 44 1 . . . . 3 G H8 . 17535 1 30 . 1 1 3 3 DG C1' C 13 85.1 . . . . . . . 3 G C1' . 17535 1 31 . 1 1 3 3 DG C8 C 13 137.7 . . 1 . . . . 3 G C8 . 17535 1 32 . 1 1 3 3 DG P P 31 -0.292 . . 1 . . . . 3 G P . 17535 1 33 . 1 1 4 4 DG H1 H 1 13.078 . . 1 . . . . 4 G H1 . 17535 1 34 . 1 1 4 4 DG H1' H 1 6.010 0.002 28 . . . . . 4 G H1' . 17535 1 35 . 1 1 4 4 DG H2' H 1 2.536 0.002 20 . . . . . 4 G H2' . 17535 1 36 . 1 1 4 4 DG H2'' H 1 2.727 0.002 20 2 . . . . 4 G H2'' . 17535 1 37 . 1 1 4 4 DG H3' H 1 4.711 0.001 28 . . . . . 4 G H3' . 17535 1 38 . 1 1 4 4 DG H4' H 1 4.374 0.002 17 . . . . . 4 G H4' . 17535 1 39 . 1 1 4 4 DG H8 H 1 7.326 0.002 52 1 . . . . 4 G H8 . 17535 1 40 . 1 1 4 4 DG C1' C 13 86.3 . . . . . . . 4 G C1' . 17535 1 41 . 1 1 4 4 DG C8 C 13 136.5 . . 1 . . . . 4 G C8 . 17535 1 42 . 1 1 4 4 DG P P 31 -0.111 . . 1 . . . . 4 G P . 17535 1 43 . 1 1 5 5 DT H1' H 1 6.002 0.002 28 . . . . . 5 T H1' . 17535 1 44 . 1 1 5 5 DT H2' H 1 2.491 0.002 16 . . . . . 5 T H2' . 17535 1 45 . 1 1 5 5 DT H2'' H 1 2.570 0.002 16 2 . . . . 5 T H2'' . 17535 1 46 . 1 1 5 5 DT H3 H 1 13.708 . . 1 . . . . 5 T H3 . 17535 1 47 . 1 1 5 5 DT H3' H 1 4.984 0.003 32 . . . . . 5 T H3' . 17535 1 48 . 1 1 5 5 DT H4' H 1 4.253 0.004 12 . . . . . 5 T H4' . 17535 1 49 . 1 1 5 5 DT H6 H 1 7.428 0.002 51 1 . . . . 5 T H6 . 17535 1 50 . 1 1 5 5 DT H71 H 1 1.265 0.001 44 1 . . . . 5 T H7 . 17535 1 51 . 1 1 5 5 DT H72 H 1 1.265 0.001 44 1 . . . . 5 T H7 . 17535 1 52 . 1 1 5 5 DT H73 H 1 1.265 0.001 44 1 . . . . 5 T H7 . 17535 1 53 . 1 1 5 5 DT C1' C 13 86.5 . . . . . . . 5 T C1' . 17535 1 54 . 1 1 5 5 DT C6 C 13 138.1 . . 1 . . . . 5 T C6 . 17535 1 55 . 1 1 5 5 DT P P 31 -0.749 . . 1 . . . . 5 T P . 17535 1 56 . 1 1 6 6 BGR BP B 11 -41.43 . . . . . . . 6 X BP . 17535 1 57 . 1 1 6 6 BGR C1' C 13 85.8 . . . . . . . 6 X C1' . 17535 1 58 . 1 1 6 6 BGR C8 C 13 137.3 . . . . . . . 6 X C8 . 17535 1 59 . 1 1 6 6 BGR H1 H 1 12.458 . . . . . . . 6 X H1 . 17535 1 60 . 1 1 6 6 BGR H1' H 1 5.984 0.002 24 . . . . . 6 X H1' . 17535 1 61 . 1 1 6 6 BGR H2' H 1 2.634 0.001 24 . . . . . 6 X H2' . 17535 1 62 . 1 1 6 6 BGR H2'' H 1 2.634 0.001 24 . . . . . 6 X H2'' . 17535 1 63 . 1 1 6 6 BGR H3' H 1 4.720 0.003 26 . . . . . 6 X H3' . 17535 1 64 . 1 1 6 6 BGR H4' H 1 4.349 0.002 14 . . . . . 6 X H4' . 17535 1 65 . 1 1 6 6 BGR H8 H 1 7.677 0.002 52 . . . . . 6 X H8 . 17535 1 66 . 1 1 6 6 BGR H1BP H 1 0.33 . . . . . . . 6 X MB . 17535 1 67 . 1 1 6 6 BGR H2BP H 1 0.33 . . . . . . . 6 X MB . 17535 1 68 . 1 1 6 6 BGR H3BP H 1 0.33 . . . . . . . 6 X MB . 17535 1 69 . 1 1 6 6 BGR P P 31 94.00 . . . . . . . 6 X P . 17535 1 70 . 1 1 7 7 DC H1' H 1 5.878 0.001 36 . . . . . 7 C H1' . 17535 1 71 . 1 1 7 7 DC H2' H 1 2.320 0.002 20 . . . . . 7 C H2' . 17535 1 72 . 1 1 7 7 DC H2'' H 1 2.579 0.004 20 2 . . . . 7 C H2'' . 17535 1 73 . 1 1 7 7 DC H3' H 1 4.600 0.002 28 . . . . . 7 C H3' . 17535 1 74 . 1 1 7 7 DC H4' H 1 4.260 0.003 15 . . . . . 7 C H4' . 17535 1 75 . 1 1 7 7 DC H5 H 1 5.146 0.002 29 1 . . . . 7 C H5 . 17535 1 76 . 1 1 7 7 DC H6 H 1 7.419 0.003 46 1 . . . . 7 C H6 . 17535 1 77 . 1 1 7 7 DC C1' C 13 87.8 . . . . . . . 7 C C1' . 17535 1 78 . 1 1 7 7 DC C6 C 13 141.8 . . 1 . . . . 7 C C6 . 17535 1 79 . 1 1 7 7 DC P P 31 -0.323 . . 1 . . . . 7 C P . 17535 1 80 . 1 1 8 8 DT H1' H 1 6.094 0.002 34 . . . . . 8 T H1' . 17535 1 81 . 1 1 8 8 DT H2' H 1 2.314 0.002 23 . . . . . 8 T H2' . 17535 1 82 . 1 1 8 8 DT H2'' H 1 2.614 0.001 19 2 . . . . 8 T H2'' . 17535 1 83 . 1 1 8 8 DT H3 H 1 14.03 . . 1 . . . . 8 T H3 . 17535 1 84 . 1 1 8 8 DT H3' H 1 4.844 0.002 26 . . . . . 8 T H3' . 17535 1 85 . 1 1 8 8 DT H4' H 1 4.228 0.001 12 . . . . . 8 T H4' . 17535 1 86 . 1 1 8 8 DT H6 H 1 7.639 0.001 50 1 . . . . 8 T H6 . 17535 1 87 . 1 1 8 8 DT H71 H 1 1.503 0.002 44 1 . . . . 8 T H7 . 17535 1 88 . 1 1 8 8 DT H72 H 1 1.503 0.002 44 1 . . . . 8 T H7 . 17535 1 89 . 1 1 8 8 DT H73 H 1 1.503 0.002 44 1 . . . . 8 T H7 . 17535 1 90 . 1 1 8 8 DT C1' C 13 86.7 . . . . . . . 8 T C1' . 17535 1 91 . 1 1 8 8 DT C6 C 13 139.4 . . 1 . . . . 8 T C6 . 17535 1 92 . 1 1 8 8 DT P P 31 -0.942 . . 1 . . . . 8 T P . 17535 1 93 . 1 1 9 9 DC H1' H 1 6.269 0.001 28 . . . . . 9 C H1' . 17535 1 94 . 1 1 9 9 DC H2' H 1 2.174 0.002 19 . . . . . 9 C H2' . 17535 1 95 . 1 1 9 9 DC H2'' H 1 2.258 0.003 16 2 . . . . 9 C H2'' . 17535 1 96 . 1 1 9 9 DC H3' H 1 4.529 0.002 19 . . . . . 9 C H3' . 17535 1 97 . 1 1 9 9 DC H4' H 1 4.044 0.001 16 . . . . . 9 C H4' . 17535 1 98 . 1 1 9 9 DC H5 H 1 5.629 0.003 32 1 . . . . 9 C H5 . 17535 1 99 . 1 1 9 9 DC H6 H 1 7.619 0.002 36 1 . . . . 9 C H6 . 17535 1 100 . 1 1 9 9 DC C1' C 13 86.7 . . . . . . . 9 C C1' . 17535 1 101 . 1 1 9 9 DC C6 C 13 143.9 . . 1 . . . . 9 C C6 . 17535 1 102 . 1 1 9 9 DC P P 31 -0.446 . . 1 . . . . 9 C P . 17535 1 103 . 2 2 1 1 G H1 H 1 12.488 . . 1 . . . B 10 G H1 . 17535 1 104 . 2 2 1 1 G H1' H 1 5.633 0.002 34 . . . . B 10 G H1' . 17535 1 105 . 2 2 1 1 G H2' H 1 4.824 0.003 18 . . . . B 10 G H2' . 17535 1 106 . 2 2 1 1 G H3' H 1 4.625 0.002 16 . . . . B 10 G H3' . 17535 1 107 . 2 2 1 1 G H4' H 1 4.342 0.001 8 . . . . B 10 G H4' . 17535 1 108 . 2 2 1 1 G H8 H 1 7.972 0.001 24 1 . . . B 10 G H8 . 17535 1 109 . 2 2 1 1 G C1' C 13 91.8 . . . . . . B 10 G C1' . 17535 1 110 . 2 2 1 1 G C8 C 13 138.8 . . 1 . . . B 10 G C8 . 17535 1 111 . 2 2 2 2 A H1' H 1 6.038 0.002 26 . . . . B 11 A H1' . 17535 1 112 . 2 2 2 2 A H2 H 1 7.735 0.002 14 1 . . . B 11 A H2 . 17535 1 113 . 2 2 2 2 A H2' H 1 4.814 0.001 16 . . . . B 11 A H2' . 17535 1 114 . 2 2 2 2 A H3' H 1 4.748 0.003 12 . . . . B 11 A H3' . 17535 1 115 . 2 2 2 2 A H4' H 1 4.552 0.001 4 . . . . B 11 A H4' . 17535 1 116 . 2 2 2 2 A H8 H 1 8.065 0.001 36 1 . . . B 11 A H8 . 17535 1 117 . 2 2 2 2 A C1' C 13 92.5 . . . . . . B 11 A C1' . 17535 1 118 . 2 2 2 2 A C8 C 13 140 . . 1 . . . B 11 A C8 . 17535 1 119 . 2 2 2 2 A P P 31 -0.119 . . 1 . . . B 11 A P . 17535 1 120 . 2 2 3 3 G H1 H 1 13.294 . . 1 . . . B 12 G H1 . 17535 1 121 . 2 2 3 3 G H1' H 1 5.581 0.001 36 . . . . B 12 G H1' . 17535 1 122 . 2 2 3 3 G H2' H 1 4.449 0.005 24 . . . . B 12 G H2' . 17535 1 123 . 2 2 3 3 G H3' H 1 4.415 0.003 12 . . . . B 12 G H3' . 17535 1 124 . 2 2 3 3 G H4' H 1 4.485 0.003 8 . . . . B 12 G H4' . 17535 1 125 . 2 2 3 3 G H8 H 1 7.282 0.002 44 1 . . . B 12 G H8 . 17535 1 126 . 2 2 3 3 G C1' C 13 92.7 . . . . . . B 12 G C1' . 17535 1 127 . 2 2 3 3 G C8 C 13 135.8 . . 1 . . . B 12 G C8 . 17535 1 128 . 2 2 3 3 G P P 31 -0.23 . . 1 . . . B 12 G P . 17535 1 129 . 2 2 4 4 C H1' H 1 5.420 0.001 32 . . . . B 13 C H1' . 17535 1 130 . 2 2 4 4 C H2' H 1 4.518 0.002 20 . . . . B 13 C H2' . 17535 1 131 . 2 2 4 4 C H3' H 1 4.495 0.001 16 . . . . B 13 C H3' . 17535 1 132 . 2 2 4 4 C H4' H 1 4.417 0.000 8 . . . . B 13 C H4' . 17535 1 133 . 2 2 4 4 C H5 H 1 5.218 0.004 28 1 . . . B 13 C H5 . 17535 1 134 . 2 2 4 4 C H6 H 1 7.602 0.004 40 1 . . . B 13 C H6 . 17535 1 135 . 2 2 4 4 C C1' C 13 93.7 . . . . . . B 13 C C1' . 17535 1 136 . 2 2 4 4 C C6 C 13 140.5 . . 1 . . . B 13 C C6 . 17535 1 137 . 2 2 4 4 C P P 31 -0.71 . . 1 . . . B 13 C P . 17535 1 138 . 2 2 5 5 A H1' H 1 5.920 0.001 42 . . . . B 14 A H1' . 17535 1 139 . 2 2 5 5 A H2 H 1 7.433 0.003 16 1 . . . B 14 A H2 . 17535 1 140 . 2 2 5 5 A H2' H 1 4.564 0.002 20 . . . . B 14 A H2' . 17535 1 141 . 2 2 5 5 A H3' H 1 4.664 0.001 16 . . . . B 14 A H3' . 17535 1 142 . 2 2 5 5 A H4' H 1 4.480 0.004 4 . . . . B 14 A H4' . 17535 1 143 . 2 2 5 5 A H8 H 1 8.073 0.001 40 1 . . . B 14 A H8 . 17535 1 144 . 2 2 5 5 A C1' C 13 92.9 . . . . . . B 14 A C1' . 17535 1 145 . 2 2 5 5 A C8 C 13 139.3 . . 1 . . . B 14 A C8 . 17535 1 146 . 2 2 5 5 A P P 31 -0.377 . . 1 . . . B 14 A P . 17535 1 147 . 2 2 6 6 C H1' H 1 5.339 0.002 32 . . . . B 15 C H1' . 17535 1 148 . 2 2 6 6 C H2' H 1 4.265 0.002 16 . . . . B 15 C H2' . 17535 1 149 . 2 2 6 6 C H3' H 1 4.341 0.006 19 . . . . B 15 C H3' . 17535 1 150 . 2 2 6 6 C H4' H 1 4.564 0.002 8 . . . . B 15 C H4' . 17535 1 151 . 2 2 6 6 C H5 H 1 5.241 0.003 25 1 . . . B 15 C H5 . 17535 1 152 . 2 2 6 6 C H6 H 1 7.505 0.003 44 1 . . . B 15 C H6 . 17535 1 153 . 2 2 6 6 C C1' C 13 93.7 . . . . . . B 15 C C1' . 17535 1 154 . 2 2 6 6 C C6 C 13 140.6 . . 1 . . . B 15 C C6 . 17535 1 155 . 2 2 6 6 C P P 31 -0.613 . . 1 . . . B 15 C P . 17535 1 156 . 2 2 7 7 C H1' H 1 5.405 0.002 28 . . . . B 16 C H1' . 17535 1 157 . 2 2 7 7 C H2' H 1 4.358 0.001 14 . . . . B 16 C H2' . 17535 1 158 . 2 2 7 7 C H3' H 1 4.538 0.004 16 . . . . B 16 C H3' . 17535 1 159 . 2 2 7 7 C H4' H 1 4.262 0.002 12 . . . . B 16 C H4' . 17535 1 160 . 2 2 7 7 C H5 H 1 5.504 0.002 30 1 . . . B 16 C H5 . 17535 1 161 . 2 2 7 7 C H6 H 1 7.740 0.002 42 1 . . . B 16 C H6 . 17535 1 162 . 2 2 7 7 C C1' C 13 94.8 . . . . . . B 16 C C1' . 17535 1 163 . 2 2 7 7 C C6 C 13 141.1 . . 1 . . . B 16 C C6 . 17535 1 164 . 2 2 7 7 C P P 31 -0.677 . . 1 . . . B 16 C P . 17535 1 165 . 2 2 8 8 A H1' H 1 5.995 0.002 28 . . . . B 17 A H1' . 17535 1 166 . 2 2 8 8 A H2 H 1 7.625 0.001 8 1 . . . B 17 A H2 . 17535 1 167 . 2 2 8 8 A H2' H 1 4.376 0.001 26 . . . . B 17 A H2' . 17535 1 168 . 2 2 8 8 A H3' H 1 4.717 0.002 18 . . . . B 17 A H3' . 17535 1 169 . 2 2 8 8 A H4' H 1 4.468 0.003 9 . . . . B 17 A H4' . 17535 1 170 . 2 2 8 8 A H8 H 1 8.182 0.001 41 1 . . . B 17 A H8 . 17535 1 171 . 2 2 8 8 A C1' C 13 92.4 . . . . . . B 17 A C1' . 17535 1 172 . 2 2 8 8 A C8 C 13 140 . . 1 . . . B 17 A C8 . 17535 1 173 . 2 2 8 8 A P P 31 -0.503 . . 1 . . . B 17 A P . 17535 1 174 . 2 2 9 9 U H1' H 1 5.758 0.001 23 . . . . B 18 U H1' . 17535 1 175 . 2 2 9 9 U H2' H 1 4.041 0.002 8 . . . . B 18 U H2' . 17535 1 176 . 2 2 9 9 U H3 H 1 13.425 . . 1 . . . B 18 U H3 . 17535 1 177 . 2 2 9 9 U H3' H 1 4.177 0.002 12 . . . . B 18 U H3' . 17535 1 178 . 2 2 9 9 U H4' H 1 4.378 0.001 8 . . . . B 18 U H4' . 17535 1 179 . 2 2 9 9 U H5 H 1 5.352 0.004 20 1 . . . B 18 U H5 . 17535 1 180 . 2 2 9 9 U H6 H 1 7.579 0.002 34 1 . . . B 18 U H6 . 17535 1 181 . 2 2 9 9 U C1' C 13 91.6 . . . . . . B 18 U C1' . 17535 1 182 . 2 2 9 9 U C6 C 13 142.5 . . 1 . . . B 18 U C6 . 17535 1 183 . 2 2 9 9 U P P 31 -0.438 . . 1 . . . B 18 U P . 17535 1 stop_ save_