################################### # 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 17601 _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' . . . 17601 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 H8 H 1 8.0540 . . 1 . . . . 1 G H8 . 17601 1 2 . 1 1 1 1 G C8 C 13 117.2960 . . 1 . . . . 1 G C8 . 17601 1 3 . 1 1 2 2 G H8 H 1 7.9600 . . 1 . . . . 2 G H8 . 17601 1 4 . 1 1 2 2 G C8 C 13 115.8820 . . 1 . . . . 2 G C8 . 17601 1 5 . 1 1 3 3 A H1' H 1 6.0142 . . 1 . . . . 3 A H1' . 17601 1 6 . 1 1 3 3 A H2 H 1 7.7280 . . 1 . . . . 3 A H2 . 17601 1 7 . 1 1 3 3 A H2' H 1 4.7864 . . 1 . . . . 3 A H2' . 17601 1 8 . 1 1 3 3 A H8 H 1 8.0139 . . 1 . . . . 3 A H8 . 17601 1 9 . 1 1 3 3 A C1' C 13 127.2370 . . 1 . . . . 3 A C1' . 17601 1 10 . 1 1 3 3 A C2 C 13 130.9750 . . 1 . . . . 3 A C2 . 17601 1 11 . 1 1 3 3 A C8 C 13 117.6520 . . 1 . . . . 3 A C8 . 17601 1 12 . 1 1 4 4 G H8 H 1 7.1229 . . 1 . . . A 4 G H8 . 17601 1 13 . 1 1 4 4 G C8 C 13 113.4130 . . 1 . . . A 4 G C8 . 17601 1 14 . 1 1 5 5 G H8 H 1 7.2680 . . 1 . . . A 5 G H8 . 17601 1 15 . 1 1 5 5 G C8 C 13 114.0730 . . 1 . . . A 5 G C8 . 17601 1 16 . 1 1 6 6 U H3 H 1 13.9750 . . 1 . . . A 6 U H3 . 17601 1 17 . 1 1 6 6 U H5 H 1 5.3520 . . 1 . . . A 6 U H5 . 17601 1 18 . 1 1 6 6 U H6 H 1 7.6560 . . 1 . . . A 6 U H6 . 17601 1 19 . 1 1 6 6 U C5 C 13 101.7330 . . 1 . . . A 6 U C5 . 17601 1 20 . 1 1 6 6 U C6 C 13 100.5490 . . 1 . . . A 6 U C6 . 17601 1 21 . 1 1 7 7 C H1' H 1 5.5584 . . 1 . . . . 7 C H1' . 17601 1 22 . 1 1 7 7 C H2' H 1 4.4320 . . 1 . . . . 7 C H2' . 17601 1 23 . 1 1 7 7 C H3' H 1 4.3784 . . 1 . . . . 7 C H3' . 17601 1 24 . 1 1 7 7 C H4' H 1 4.5554 . . 1 . . . . 7 C H4' . 17601 1 25 . 1 1 7 7 C H5 H 1 5.8348 . . 1 . . . A 7 C H5 . 17601 1 26 . 1 1 7 7 C H6 H 1 7.7770 . . 1 . . . A 7 C H6 . 17601 1 27 . 1 1 7 7 C C1' C 13 100.3130 . . 1 . . . . 7 C C1' . 17601 1 28 . 1 1 8 8 A H1' H 1 5.9874 . . 1 . . . . 8 A H1' . 17601 1 29 . 1 1 8 8 A H2' H 1 4.5800 . . 1 . . . . 8 A H2' . 17601 1 30 . 1 1 8 8 A H3' H 1 4.5041 . . 1 . . . . 8 A H3' . 17601 1 31 . 1 1 8 8 A H4' H 1 4.1998 . . 1 . . . . 8 A H4' . 17601 1 32 . 1 1 8 8 A H8 H 1 8.1581 . . 1 . . . A 8 A H8 . 17601 1 33 . 1 1 8 8 A C1' C 13 108.8990 . . 1 . . . . 8 A C1' . 17601 1 34 . 1 1 8 8 A C2 C 13 132.3860 . . 1 . . . A 8 A C2 . 17601 1 35 . 1 1 8 8 A C8 C 13 117.8450 . . 1 . . . A 8 A C8 . 17601 1 36 . 1 1 9 9 G H1 H 1 12.5760 . . 1 . . . A 9 G H1 . 17601 1 37 . 1 1 9 9 G H8 H 1 7.2659 . . 1 . . . A 9 G H8 . 17601 1 38 . 1 1 9 9 G C8 C 13 114.0940 . . 1 . . . A 9 G C8 . 17601 1 39 . 1 1 10 10 G H1 H 1 12.8610 . . 1 . . . A 10 G H1 . 17601 1 40 . 1 1 10 10 G H8 H 1 7.2390 . . 1 . . . A 10 G H8 . 17601 1 41 . 1 1 10 10 G C8 C 13 113.2550 . . 1 . . . A 10 G C8 . 17601 1 42 . 1 1 11 11 G H1 H 1 12.9720 . . 1 . . . A 11 G H1 . 17601 1 43 . 1 1 11 11 G H8 H 1 6.9780 . . 1 . . . A 11 G H8 . 17601 1 44 . 1 1 11 11 G C8 C 13 112.8530 . . 1 . . . A 11 G C8 . 17601 1 45 . 1 1 12 12 U H3 H 1 13.7440 . . 1 . . . A 12 U H3 . 17601 1 46 . 1 1 12 12 U H5 H 1 4.9750 . . 1 . . . A 12 U H5 . 17601 1 47 . 1 1 12 12 U H6 H 1 7.4790 . . 1 . . . A 12 U H6 . 17601 1 48 . 1 1 12 12 U C5 C 13 100.3760 . . 1 . . . A 12 U C5 . 17601 1 49 . 1 1 12 12 U C6 C 13 100.3020 . . 1 . . . A 12 U C6 . 17601 1 50 . 1 1 13 13 C H1' H 1 5.4177 . . 1 . . . . 13 C H1' . 17601 1 51 . 1 1 13 13 C H5 H 1 5.6563 . . 1 . . . A 13 C H5 . 17601 1 52 . 1 1 13 13 C H6 H 1 8.0111 . . 1 . . . A 13 C H6 . 17601 1 53 . 1 1 14 14 A H1' H 1 5.6915 . . 1 . . . . 14 A H1' . 17601 1 54 . 1 1 14 14 A H2 H 1 7.0770 . . 1 . . . A 14 A H2 . 17601 1 55 . 1 1 14 14 A H8 H 1 7.9551 . . 1 . . . A 14 A H8 . 17601 1 56 . 1 1 14 14 A C1' C 13 130.3850 . . 1 . . . . 14 A C1' . 17601 1 57 . 1 1 14 14 A C2 C 13 109.7070 . . 1 . . . A 14 A C2 . 17601 1 58 . 1 1 14 14 A C8 C 13 136.9100 . . 1 . . . A 14 A C8 . 17601 1 59 . 1 1 15 15 G H1 H 1 13.0660 . . 1 . . . A 15 G H1 . 17601 1 60 . 1 1 15 15 G H8 H 1 7.1527 . . 1 . . . A 15 G H8 . 17601 1 61 . 1 1 15 15 G C8 C 13 113.4630 . . 1 . . . A 15 G C8 . 17601 1 62 . 1 1 16 16 G H1 H 1 12.4880 . . 1 . . . A 16 G H1 . 17601 1 63 . 1 1 16 16 G H8 H 1 7.3260 . . 1 . . . A 16 G H8 . 17601 1 64 . 1 1 16 16 G C8 C 13 114.1280 . . 1 . . . A 16 G C8 . 17601 1 65 . 1 1 17 17 A H1' H 1 6.1874 . . 1 . . . . 17 A H1' . 17601 1 66 . 1 1 17 17 A H2 H 1 8.2570 . . 1 . . . A 17 A H2 . 17601 1 67 . 1 1 17 17 A H2' H 1 5.0209 . . 1 . . . . 17 A H2' . 17601 1 68 . 1 1 17 17 A H3' H 1 4.9283 . . 1 . . . . 17 A H3' . 17601 1 69 . 1 1 17 17 A H4' H 1 4.5415 . . 1 . . . . 17 A H4' . 17601 1 70 . 1 1 17 17 A H5' H 1 4.1239 . . 2 . . . . 17 A H5' . 17601 1 71 . 1 1 17 17 A H8 H 1 8.4726 . . 1 . . . A 17 A H8 . 17601 1 72 . 1 1 17 17 A C1' C 13 106.0130 . . 1 . . . . 17 A C1' . 17601 1 73 . 1 1 17 17 A C2 C 13 112.8930 . . 1 . . . A 17 A C2 . 17601 1 74 . 1 1 17 17 A C8 C 13 119.8730 . . 1 . . . A 17 A C8 . 17601 1 75 . 1 1 18 18 G H8 H 1 8.0790 . . 1 . . . A 18 G H8 . 17601 1 76 . 1 1 18 18 G C8 C 13 116.3050 . . 1 . . . A 18 G C8 . 17601 1 77 . 1 1 19 19 C H1' H 1 5.5221 . . 1 . . . . 19 C H1' . 17601 1 78 . 1 1 19 19 C H2' H 1 4.2472 . . 1 . . . . 19 C H2' . 17601 1 79 . 1 1 19 19 C H5 H 1 5.1741 . . 1 . . . A 19 C H5 . 17601 1 80 . 1 1 19 19 C H6 H 1 7.9754 . . 1 . . . A 19 C H6 . 17601 1 81 . 1 1 20 20 C H1' H 1 5.4863 . . 1 . . . . 20 C H1' . 17601 1 82 . 1 1 20 20 C H2' H 1 4.2001 . . 1 . . . . 20 C H2' . 17601 1 83 . 1 1 20 20 C H5 H 1 5.3105 . . 1 . . . A 20 C H5 . 17601 1 84 . 1 1 20 20 C H6 H 1 7.8328 . . 1 . . . A 20 C H6 . 17601 1 85 . 1 1 21 21 C H1' H 1 5.9298 . . 1 . . . . 21 C H1' . 17601 1 86 . 1 1 21 21 C H2' H 1 4.1992 . . 1 . . . . 21 C H2' . 17601 1 87 . 1 1 21 21 C H5 H 1 5.3172 . . 1 . . . A 21 C H5 . 17601 1 88 . 1 1 21 21 C H6 H 1 7.3136 . . 1 . . . A 21 C H6 . 17601 1 89 . 1 1 22 22 C H1' H 1 5.4089 . . 1 . . . . 22 C H1' . 17601 1 90 . 1 1 22 22 C H5 H 1 5.3449 . . 1 . . . A 22 C H5 . 17601 1 91 . 1 1 22 22 C H6 H 1 7.7379 . . 1 . . . A 22 C H6 . 17601 1 92 . 1 1 23 23 C H1' H 1 5.3847 . . 1 . . . . 23 C H1' . 17601 1 93 . 1 1 23 23 C H5 H 1 5.3522 . . 1 . . . A 23 C H5 . 17601 1 94 . 1 1 23 23 C H6 H 1 7.6505 . . 1 . . . A 23 C H6 . 17601 1 95 . 1 1 24 24 C H1' H 1 5.3166 . . 1 . . . . 24 C H1' . 17601 1 96 . 1 1 24 24 C H2' H 1 4.5188 . . 1 . . . . 24 C H2' . 17601 1 97 . 1 1 24 24 C H5 H 1 5.4596 . . 1 . . . A 24 C H5 . 17601 1 98 . 1 1 24 24 C H6 H 1 7.4835 . . 1 . . . A 24 C H6 . 17601 1 99 . 1 1 24 24 C C6 C 13 117.9620 . . 1 . . . A 24 C C6 . 17601 1 100 . 1 1 25 25 C H1' H 1 5.3852 . . 1 . . . . 25 C H1' . 17601 1 101 . 1 1 25 25 C H5 H 1 5.5246 . . 1 . . . A 25 C H5 . 17601 1 102 . 1 1 25 25 C H6 H 1 7.7828 . . 1 . . . A 25 C H6 . 17601 1 103 . 1 1 25 25 C C5 C 13 115.3480 . . 1 . . . A 25 C C5 . 17601 1 104 . 1 1 26 26 C H1' H 1 5.2834 . . 1 . . . . 26 C H1' . 17601 1 105 . 1 1 26 26 C H2' H 1 4.3641 . . 1 . . . . 26 C H2' . 17601 1 106 . 1 1 26 26 C H5 H 1 5.4945 . . 1 . . . A 26 C H5 . 17601 1 107 . 1 1 26 26 C H6 H 1 7.7956 . . 1 . . . A 26 C H6 . 17601 1 108 . 1 1 26 26 C C5 C 13 115.2920 . . 1 . . . A 26 C C5 . 17601 1 109 . 1 1 27 27 U H3 H 1 13.6880 . . 1 . . . A 27 U H3 . 17601 1 110 . 1 1 27 27 U H5 H 1 5.4660 . . 1 . . . A 27 U H5 . 17601 1 111 . 1 1 27 27 U H6 H 1 7.8360 . . 1 . . . A 27 U H6 . 17601 1 112 . 1 1 27 27 U C5 C 13 102.2440 . . 1 . . . A 27 U C5 . 17601 1 113 . 1 1 27 27 U C6 C 13 100.5970 . . 1 . . . A 27 U C6 . 17601 1 114 . 1 1 28 28 G H1 H 1 11.9480 . . 1 . . . A 28 G H1 . 17601 1 115 . 1 1 28 28 G H8 H 1 7.7550 . . 1 . . . A 28 G H8 . 17601 1 116 . 1 1 28 28 G C8 C 13 115.2440 . . 1 . . . A 28 G C8 . 17601 1 117 . 1 1 29 29 A H1' H 1 6.0352 . . 1 . . . . 29 A H1' . 17601 1 118 . 1 1 29 29 A H2 H 1 8.0870 . . 1 . . . A 29 A H2 . 17601 1 119 . 1 1 29 29 A H2' H 1 4.9842 . . 1 . . . . 29 A H2' . 17601 1 120 . 1 1 29 29 A H3' H 1 4.9061 . . 1 . . . . 29 A H3' . 17601 1 121 . 1 1 29 29 A H8 H 1 8.1020 . . 1 . . . A 29 A H8 . 17601 1 122 . 1 1 29 29 A C1' C 13 107.9350 . . 1 . . . . 29 A C1' . 17601 1 123 . 1 1 29 29 A C2 C 13 132.7150 . . 1 . . . A 29 A C2 . 17601 1 124 . 1 1 29 29 A C8 C 13 118.9130 . . 1 . . . A 29 A C8 . 17601 1 125 . 1 1 30 30 A H1' H 1 6.0194 . . 1 . . . . 30 A H1' . 17601 1 126 . 1 1 30 30 A H2 H 1 7.8316 . . 1 . . . A 30 A H2 . 17601 1 127 . 1 1 30 30 A H8 H 1 8.3929 . . 1 . . . A 30 A H8 . 17601 1 128 . 1 1 30 30 A C1' C 13 109.8800 . . 1 . . . . 30 A C1' . 17601 1 129 . 1 1 30 30 A C2 C 13 111.8550 . . 1 . . . A 30 A C2 . 17601 1 130 . 1 1 30 30 A C8 C 13 118.6910 . . 1 . . . A 30 A C8 . 17601 1 131 . 1 1 31 31 C H1' H 1 5.4123 . . 1 . . . . 31 C H1' . 17601 1 132 . 1 1 31 31 C H5 H 1 5.1383 . . 1 . . . A 31 C H5 . 17601 1 133 . 1 1 31 31 C H6 H 1 7.5279 . . 1 . . . A 31 C H6 . 17601 1 134 . 1 1 31 31 C C5 C 13 114.6490 . . 1 . . . A 31 C C5 . 17601 1 135 . 1 1 31 31 C C6 C 13 118.7770 . . 1 . . . A 31 C C6 . 17601 1 136 . 1 1 32 32 C H1' H 1 5.4170 . . 1 . . . . 32 C H1' . 17601 1 137 . 1 1 32 32 C H5 H 1 5.3108 . . 1 . . . A 32 C H5 . 17601 1 138 . 1 1 32 32 C H6 H 1 7.6732 . . 1 . . . A 32 C H6 . 17601 1 139 . 1 1 33 33 C H1' H 1 5.3516 . . 1 . . . . 33 C H1' . 17601 1 140 . 1 1 33 33 C H2' H 1 4.2867 . . 1 . . . . 33 C H2' . 17601 1 141 . 1 1 33 33 C H5 H 1 5.3374 . . 1 . . . A 33 C H5 . 17601 1 142 . 1 1 33 33 C H6 H 1 7.5817 . . 1 . . . A 33 C H6 . 17601 1 143 . 1 1 34 34 A H1' H 1 5.4166 . . 1 . . . . 34 A H1' . 17601 1 144 . 1 1 34 34 A H2 H 1 7.5300 . . 1 . . . A 34 A H2 . 17601 1 145 . 1 1 34 34 A H8 H 1 8.0164 . . 1 . . . A 34 A H8 . 17601 1 146 . 1 1 34 34 A C1' C 13 129.4480 . . 1 . . . . 34 A C1' . 17601 1 147 . 1 1 34 34 A C2 C 13 112.0960 . . 1 . . . A 34 A C2 . 17601 1 148 . 1 1 34 34 A C8 C 13 116.9510 . . 1 . . . A 34 A C8 . 17601 1 149 . 1 1 35 35 G H8 H 1 7.0560 . . 1 . . . A 35 G H8 . 17601 1 150 . 1 1 35 35 G C8 C 13 113.3720 . . 1 . . . A 35 G C8 . 17601 1 151 . 1 1 36 36 G H8 H 1 7.1840 . . 1 . . . A 36 G H8 . 17601 1 152 . 1 1 36 36 G C8 C 13 113.0680 . . 1 . . . A 36 G C8 . 17601 1 153 . 1 1 37 37 A H1' H 1 5.7214 . . 1 . . . . 37 A H1' . 17601 1 154 . 1 1 37 37 A H2 H 1 7.8370 . . 1 . . . A 37 A H2 . 17601 1 155 . 1 1 37 37 A H8 H 1 7.8378 . . 1 . . . A 37 A H8 . 17601 1 156 . 1 1 37 37 A C2 C 13 111.8040 . . 1 . . . A 37 A C2 . 17601 1 157 . 1 1 37 37 A C8 C 13 117.8380 . . 1 . . . A 37 A C8 . 17601 1 158 . 1 1 38 38 U H5 H 1 5.3270 . . 1 . . . A 38 U H5 . 17601 1 159 . 1 1 38 38 U H6 H 1 7.3660 . . 1 . . . A 38 U H6 . 17601 1 160 . 1 1 38 38 U C5 C 13 102.0450 . . 1 . . . A 38 U C5 . 17601 1 161 . 1 1 38 38 U C6 C 13 100.1400 . . 1 . . . A 38 U C6 . 17601 1 162 . 1 1 39 39 A H1' H 1 5.6038 . . 1 . . . . 39 A H1' . 17601 1 163 . 1 1 39 39 A H2 H 1 7.9630 . . 1 . . . A 39 A H2 . 17601 1 164 . 1 1 39 39 A H2' H 1 4.5155 . . 1 . . . . 39 A H2' . 17601 1 165 . 1 1 39 39 A H8 H 1 8.0301 . . 1 . . . A 39 A H8 . 17601 1 166 . 1 1 39 39 A C1' C 13 107.6070 . . 1 . . . . 39 A C1' . 17601 1 167 . 1 1 39 39 A C2 C 13 132.3200 . . 1 . . . A 39 A C2 . 17601 1 168 . 1 1 39 39 A C8 C 13 119.1370 . . 1 . . . A 39 A C8 . 17601 1 169 . 1 1 40 40 A H1' H 1 5.8399 . . 1 . . . . 40 A H1' . 17601 1 170 . 1 1 40 40 A H2 H 1 7.9620 . . 1 . . . A 40 A H2 . 17601 1 171 . 1 1 40 40 A H8 H 1 8.1400 . . 1 . . . A 40 A H8 . 17601 1 172 . 1 1 40 40 A C1' C 13 107.9150 . . 1 . . . . 40 A C1' . 17601 1 173 . 1 1 40 40 A C2 C 13 132.5870 . . 1 . . . A 40 A C2 . 17601 1 174 . 1 1 40 40 A C8 C 13 118.6310 . . 1 . . . A 40 A C8 . 17601 1 175 . 1 1 41 41 C H5 H 1 5.6908 . . 1 . . . A 41 C H5 . 17601 1 176 . 1 1 41 41 C H6 H 1 7.6491 . . 1 . . . A 41 C H6 . 17601 1 177 . 1 1 41 41 C C5 C 13 116.3140 . . 1 . . . A 41 C C5 . 17601 1 178 . 1 1 42 42 C H1' H 1 5.9270 . . 1 . . . . 42 C H1' . 17601 1 179 . 1 1 42 42 C H5 H 1 5.6432 . . 1 . . . A 42 C H5 . 17601 1 180 . 1 1 42 42 C H6 H 1 7.8799 . . 1 . . . A 42 C H6 . 17601 1 181 . 1 1 42 42 C C1' C 13 109.0250 . . 1 . . . . 42 C C1' . 17601 1 182 . 1 1 42 42 C C5 C 13 116.3990 . . 1 . . . A 42 C C5 . 17601 1 183 . 1 1 43 43 C H1' H 1 5.7635 . . 1 . . . . 43 C H1' . 17601 1 184 . 1 1 43 43 C H5 H 1 5.6306 . . 1 . . . A 43 C H5 . 17601 1 185 . 1 1 43 43 C H6 H 1 7.8127 . . 1 . . . A 43 C H6 . 17601 1 186 . 1 1 44 44 U H5 H 1 5.5000 . . 1 . . . A 44 U H5 . 17601 1 187 . 1 1 44 44 U C5 C 13 102.2670 . . 1 . . . A 44 U C5 . 17601 1 188 . 1 1 45 45 C H1' H 1 5.7617 . . 1 . . . . 45 C H1' . 17601 1 189 . 1 1 45 45 C H2' H 1 4.0981 . . 1 . . . . 45 C H2' . 17601 1 190 . 1 1 45 45 C H5 H 1 5.6905 . . 1 . . . A 45 C H5 . 17601 1 191 . 1 1 45 45 C H6 H 1 7.7253 . . 1 . . . A 45 C H6 . 17601 1 192 . 1 1 45 45 C C5 C 13 115.9170 . . 1 . . . A 45 C C5 . 17601 1 193 . 1 1 46 46 A H1' H 1 5.8222 . . 1 . . . . 46 A H1' . 17601 1 194 . 1 1 46 46 A H2 H 1 7.8020 . . 1 . . . A 46 A H2 . 17601 1 195 . 1 1 46 46 A H8 H 1 8.1776 . . 1 . . . A 46 A H8 . 17601 1 196 . 1 1 46 46 A C1' C 13 107.9860 . . 1 . . . . 46 A C1' . 17601 1 197 . 1 1 46 46 A C2 C 13 112.3290 . . 1 . . . A 46 A C2 . 17601 1 198 . 1 1 46 46 A C8 C 13 119.0160 . . 1 . . . A 46 A C8 . 17601 1 199 . 1 1 47 47 A H1' H 1 5.7336 . . 1 . . . . 47 A H1' . 17601 1 200 . 1 1 47 47 A H2 H 1 7.8940 . . 1 . . . A 47 A H2 . 17601 1 201 . 1 1 47 47 A H8 H 1 8.0992 . . 1 . . . A 47 A H8 . 17601 1 202 . 1 1 47 47 A C1' C 13 108.4590 . . 1 . . . . 47 A C1' . 17601 1 203 . 1 1 47 47 A C2 C 13 112.2770 . . 1 . . . A 47 A C2 . 17601 1 204 . 1 1 47 47 A C8 C 13 118.6720 . . 1 . . . A 47 A C8 . 17601 1 205 . 1 1 48 48 A H1' H 1 5.7461 . . 1 . . . . 48 A H1' . 17601 1 206 . 1 1 48 48 A H2 H 1 8.0300 . . 1 . . . A 48 A H2 . 17601 1 207 . 1 1 48 48 A H8 H 1 8.0151 . . 1 . . . A 48 A H8 . 17601 1 208 . 1 1 48 48 A C1' C 13 128.4270 . . 1 . . . . 48 A C1' . 17601 1 209 . 1 1 48 48 A C2 C 13 112.5510 . . 1 . . . A 48 A C2 . 17601 1 210 . 1 1 48 48 A C8 C 13 118.2590 . . 1 . . . A 48 A C8 . 17601 1 211 . 1 1 49 49 G H8 H 1 7.7970 . . 1 . . . A 49 G H8 . 17601 1 212 . 1 1 49 49 G C8 C 13 116.6120 . . 1 . . . A 49 G C8 . 17601 1 213 . 1 1 50 50 U H5 H 1 5.6690 . . 1 . . . A 50 U H5 . 17601 1 214 . 1 1 50 50 U H6 H 1 7.7100 . . 1 . . . A 50 U H6 . 17601 1 215 . 1 1 50 50 U C5 C 13 102.3730 . . 1 . . . A 50 U C5 . 17601 1 216 . 1 1 50 50 U C6 C 13 100.5210 . . 1 . . . A 50 U C6 . 17601 1 217 . 1 1 51 51 C H1' H 1 5.8284 . . 1 . . . . 51 C H1' . 17601 1 218 . 1 1 51 51 C H2' H 1 4.2836 . . 1 . . . . 51 C H2' . 17601 1 219 . 1 1 51 51 C H3' H 1 4.4092 . . 1 . . . . 51 C H3' . 17601 1 220 . 1 1 51 51 C H5 H 1 5.8530 . . 1 . . . A 51 C H5 . 17601 1 221 . 1 1 51 51 C H6 H 1 7.7229 . . 1 . . . A 51 C H6 . 17601 1 222 . 1 1 51 51 C C5 C 13 115.0780 . . 1 . . . A 51 C C5 . 17601 1 223 . 1 1 52 52 G H1 H 1 11.7710 . . 1 . . . A 52 G H1 . 17601 1 224 . 1 1 52 52 G H8 H 1 7.7440 . . 1 . . . A 52 G H8 . 17601 1 225 . 1 1 52 52 G C8 C 13 115.7450 . . 1 . . . A 52 G C8 . 17601 1 226 . 1 1 53 53 G H1 H 1 12.3920 . . 1 . . . A 53 G H1 . 17601 1 227 . 1 1 53 53 G H8 H 1 7.5220 . . 1 . . . A 53 G H8 . 17601 1 228 . 1 1 53 53 G C8 C 13 114.4150 . . 1 . . . A 53 G C8 . 17601 1 229 . 1 1 54 54 G H1 H 1 13.0540 . . 1 . . . A 54 G H1 . 17601 1 230 . 1 1 54 54 G H8 H 1 7.2390 . . 1 . . . A 54 G H8 . 17601 1 231 . 1 1 54 54 G C8 C 13 114.0300 . . 1 . . . A 54 G C8 . 17601 1 232 . 1 1 55 55 G H1 H 1 12.2880 . . 1 . . . A 55 G H1 . 17601 1 233 . 1 1 55 55 G H8 H 1 7.1450 . . 1 . . . A 55 G H8 . 17601 1 234 . 1 1 55 55 G C8 C 13 113.0600 . . 1 . . . A 55 G C8 . 17601 1 235 . 1 1 56 56 G H1 H 1 12.4460 . . 1 . . . A 56 G H1 . 17601 1 236 . 1 1 56 56 G H8 H 1 7.0080 . . 1 . . . A 56 G H8 . 17601 1 237 . 1 1 56 56 G C8 C 13 112.8500 . . 1 . . . A 56 G C8 . 17601 1 238 . 1 1 57 57 G H1 H 1 12.8580 . . 1 . . . A 57 G H1 . 17601 1 239 . 1 1 57 57 G H8 H 1 6.9550 . . 1 . . . A 57 G H8 . 17601 1 240 . 1 1 57 57 G C8 C 13 112.8480 . . 1 . . . A 57 G C8 . 17601 1 241 . 1 1 58 58 C H1' H 1 5.3558 . . 1 . . . . 58 C H1' . 17601 1 242 . 1 1 58 58 C H2' H 1 4.6020 . . 1 . . . . 58 C H2' . 17601 1 243 . 1 1 58 58 C H5 H 1 5.1289 . . 1 . . . A 58 C H5 . 17601 1 244 . 1 1 58 58 C H6 H 1 7.0820 . . 1 . . . A 58 C H6 . 17601 1 245 . 1 1 58 58 C C6 C 13 117.6040 . . 1 . . . A 58 C C6 . 17601 1 246 . 1 1 59 59 A H1' H 1 5.8210 . . 1 . . . . 59 A H1' . 17601 1 247 . 1 1 59 59 A H2 H 1 7.1480 . . 1 . . . A 59 A H2 . 17601 1 248 . 1 1 59 59 A H8 H 1 7.8406 . . 1 . . . A 59 A H8 . 17601 1 249 . 1 1 59 59 A C1' C 13 110.7400 . . 1 . . . . 59 A C1' . 17601 1 250 . 1 1 59 59 A C2 C 13 110.9520 . . 1 . . . A 59 A C2 . 17601 1 251 . 1 1 59 59 A C8 C 13 117.0590 . . 1 . . . A 59 A C8 . 17601 1 252 . 1 1 60 60 A H1' H 1 5.3783 . . 1 . . . . 60 A H1' . 17601 1 253 . 1 1 60 60 A H2 H 1 7.9054 . . 1 . . . . 60 A H2 . 17601 1 254 . 1 1 60 60 A H2' H 1 4.3098 . . 1 . . . . 60 A H2' . 17601 1 255 . 1 1 60 60 A H8 H 1 7.6440 . . 1 . . . . 60 A H8 . 17601 1 256 . 1 1 60 60 A C1' C 13 109.8590 . . 1 . . . . 60 A C1' . 17601 1 257 . 1 1 60 60 A C2 C 13 112.4390 . . 1 . . . . 60 A C2 . 17601 1 258 . 1 1 60 60 A C8 C 13 116.3600 . . 1 . . . . 60 A C8 . 17601 1 259 . 1 1 61 61 C H1' H 1 5.1863 . . 1 . . . . 61 C H1' . 17601 1 260 . 1 1 61 61 C H2' H 1 4.0636 . . 1 . . . . 61 C H2' . 17601 1 261 . 1 1 61 61 C H5 H 1 5.1428 . . 1 . . . . 61 C H5 . 17601 1 262 . 1 1 61 61 C H6 H 1 7.1889 . . 1 . . . . 61 C H6 . 17601 1 263 . 1 1 61 61 C C1' C 13 110.8090 . . 1 . . . . 61 C C1' . 17601 1 264 . 1 1 61 61 C C5 C 13 114.7060 . . 1 . . . . 61 C C5 . 17601 1 265 . 1 1 62 62 C H1' H 1 5.5783 . . 1 . . . . 62 C H1' . 17601 1 266 . 1 1 62 62 C H2' H 1 4.1418 . . 1 . . . . 62 C H2' . 17601 1 267 . 1 1 62 62 C H5 H 1 5.6370 . . 1 . . . . 62 C H5 . 17601 1 268 . 1 1 62 62 C H6 H 1 7.6443 . . 1 . . . . 62 C H6 . 17601 1 269 . 1 1 62 62 C C1' C 13 118.9520 . . 1 . . . . 62 C C1' . 17601 1 270 . 1 1 62 62 C C5 C 13 116.0650 . . 1 . . . . 62 C C5 . 17601 1 271 . 1 1 63 63 C H1' H 1 5.7790 . . 1 . . . . 63 C H1' . 17601 1 272 . 1 1 63 63 C H5 H 1 5.8354 . . 1 . . . . 63 C H5 . 17601 1 273 . 1 1 63 63 C H6 H 1 7.7884 . . 1 . . . . 63 C H6 . 17601 1 274 . 1 1 63 63 C C5 C 13 116.3750 . . 1 . . . . 63 C C5 . 17601 1 stop_ save_