################################### # 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6076 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_2 . 6076 1 . . 3 $sample_3 . 6076 1 . . 4 $sample_4 . 6076 1 . . 5 $sample_5 . 6076 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 C1' C 13 92.246 0.146 . 1 . . . . . . . . 6076 1 2 . 1 1 1 1 G C2' C 13 75.552 0.120 . 1 . . . . . . . . 6076 1 3 . 1 1 1 1 G C3' C 13 74.964 0.120 . 1 . . . . . . . . 6076 1 4 . 1 1 1 1 G C4' C 13 83.718 0.120 . 1 . . . . . . . . 6076 1 5 . 1 1 1 1 G C5' C 13 67.345 0.120 . 1 . . . . . . . . 6076 1 6 . 1 1 1 1 G C8 C 13 139.207 0.120 . 1 . . . . . . . . 6076 1 7 . 1 1 1 1 G H1' H 1 5.853 0.006 . 1 . . . . . . . . 6076 1 8 . 1 1 1 1 G H2' H 1 4.956 0.008 . 1 . . . . . . . . 6076 1 9 . 1 1 1 1 G H3' H 1 4.720 0.006 . 1 . . . . . . . . 6076 1 10 . 1 1 1 1 G H4' H 1 4.575 0.009 . 1 . . . . . . . . 6076 1 11 . 1 1 1 1 G H5'' H 1 4.280 0.013 . 1 . . . . . . . . 6076 1 12 . 1 1 1 1 G H5' H 1 4.417 0.005 . 1 . . . . . . . . 6076 1 13 . 1 1 1 1 G H8 H 1 8.161 0.006 . 1 . . . . . . . . 6076 1 14 . 1 1 1 1 G N9 N 15 169.117 0.150 . 1 . . . . . . . . 6076 1 15 . 1 1 2 2 G C1' C 13 93.267 0.120 . 1 . . . . . . . . 6076 1 16 . 1 1 2 2 G C2' C 13 75.823 0.120 . 1 . . . . . . . . 6076 1 17 . 1 1 2 2 G C3' C 13 73.311 0.120 . 1 . . . . . . . . 6076 1 18 . 1 1 2 2 G C4' C 13 82.799 0.120 . 1 . . . . . . . . 6076 1 19 . 1 1 2 2 G C5' C 13 66.200 0.200 . 1 . . . . . . . . 6076 1 20 . 1 1 2 2 G C8 C 13 136.992 0.120 . 1 . . . . . . . . 6076 1 21 . 1 1 2 2 G H1' H 1 5.923 0.006 . 1 . . . . . . . . 6076 1 22 . 1 1 2 2 G H2' H 1 4.670 0.009 . 1 . . . . . . . . 6076 1 23 . 1 1 2 2 G H3' H 1 4.620 0.011 . 1 . . . . . . . . 6076 1 24 . 1 1 2 2 G H4' H 1 4.576 0.010 . 1 . . . . . . . . 6076 1 25 . 1 1 2 2 G H5'' H 1 4.519 0.005 . 1 . . . . . . . . 6076 1 26 . 1 1 2 2 G H5' H 1 4.245 0.012 . 1 . . . . . . . . 6076 1 27 . 1 1 2 2 G H8 H 1 7.530 0.018 . 1 . . . . . . . . 6076 1 28 . 1 1 2 2 G N9 N 15 169.586 0.150 . 1 . . . . . . . . 6076 1 29 . 1 1 3 3 A C1' C 13 93.240 0.120 . 1 . . . . . . . . 6076 1 30 . 1 1 3 3 A C2 C 13 153.454 0.120 . 1 . . . . . . . . 6076 1 31 . 1 1 3 3 A C2' C 13 76.173 0.120 . 1 . . . . . . . . 6076 1 32 . 1 1 3 3 A C3' C 13 73.320 0.120 . 1 . . . . . . . . 6076 1 33 . 1 1 3 3 A C4' C 13 82.000 0.200 . 1 . . . . . . . . 6076 1 34 . 1 1 3 3 A C5' C 13 65.000 0.200 . 1 . . . . . . . . 6076 1 35 . 1 1 3 3 A C8 C 13 139.330 0.120 . 1 . . . . . . . . 6076 1 36 . 1 1 3 3 A H1' H 1 6.006 0.005 . 1 . . . . . . . . 6076 1 37 . 1 1 3 3 A H2 H 1 7.475 0.004 . 1 . . . . . . . . 6076 1 38 . 1 1 3 3 A H2' H 1 4.690 0.006 . 1 . . . . . . . . 6076 1 39 . 1 1 3 3 A H3' H 1 4.640 0.005 . 1 . . . . . . . . 6076 1 40 . 1 1 3 3 A H4' H 1 4.526 0.005 . 1 . . . . . . . . 6076 1 41 . 1 1 3 3 A H5'' H 1 4.630 0.020 . 1 . . . . . . . . 6076 1 42 . 1 1 3 3 A H5' H 1 4.180 0.020 . 1 . . . . . . . . 6076 1 43 . 1 1 3 3 A H8 H 1 7.763 0.005 . 1 . . . . . . . . 6076 1 44 . 1 1 3 3 A N9 N 15 170.779 0.150 . 1 . . . . . . . . 6076 1 45 . 1 1 4 4 G C1' C 13 92.826 0.120 . 1 . . . . . . . . 6076 1 46 . 1 1 4 4 G C2' C 13 75.989 0.120 . 1 . . . . . . . . 6076 1 47 . 1 1 4 4 G C3' C 13 73.520 0.120 . 1 . . . . . . . . 6076 1 48 . 1 1 4 4 G C4' C 13 82.364 0.120 . 1 . . . . . . . . 6076 1 49 . 1 1 4 4 G C5' C 13 65.986 0.120 . 1 . . . . . . . . 6076 1 50 . 1 1 4 4 G C8 C 13 135.826 0.120 . 1 . . . . . . . . 6076 1 51 . 1 1 4 4 G H1' H 1 5.631 0.006 . 1 . . . . . . . . 6076 1 52 . 1 1 4 4 G H2' H 1 4.550 0.006 . 1 . . . . . . . . 6076 1 53 . 1 1 4 4 G H3' H 1 4.403 0.014 . 1 . . . . . . . . 6076 1 54 . 1 1 4 4 G H4' H 1 4.461 0.007 . 1 . . . . . . . . 6076 1 55 . 1 1 4 4 G H5'' H 1 4.439 0.006 . 1 . . . . . . . . 6076 1 56 . 1 1 4 4 G H5' H 1 4.056 0.005 . 1 . . . . . . . . 6076 1 57 . 1 1 4 4 G H8 H 1 7.069 0.005 . 1 . . . . . . . . 6076 1 58 . 1 1 4 4 G N9 N 15 169.300 0.150 . 1 . . . . . . . . 6076 1 59 . 1 1 5 5 G C1' C 13 93.210 0.120 . 1 . . . . . . . . 6076 1 60 . 1 1 5 5 G C2' C 13 75.852 0.120 . 1 . . . . . . . . 6076 1 61 . 1 1 5 5 G C3' C 13 73.365 0.120 . 1 . . . . . . . . 6076 1 62 . 1 1 5 5 G C4' C 13 82.299 0.120 . 1 . . . . . . . . 6076 1 63 . 1 1 5 5 G C5' C 13 65.800 0.200 . 1 . . . . . . . . 6076 1 64 . 1 1 5 5 G C8 C 13 136.336 0.097 . 1 . . . . . . . . 6076 1 65 . 1 1 5 5 G H1' H 1 5.712 0.008 . 1 . . . . . . . . 6076 1 66 . 1 1 5 5 G H2' H 1 4.546 0.006 . 1 . . . . . . . . 6076 1 67 . 1 1 5 5 G H3' H 1 4.485 0.006 . 1 . . . . . . . . 6076 1 68 . 1 1 5 5 G H4' H 1 4.483 0.011 . 1 . . . . . . . . 6076 1 69 . 1 1 5 5 G H5'' H 1 4.462 0.016 . 1 . . . . . . . . 6076 1 70 . 1 1 5 5 G H5' H 1 4.064 0.011 . 1 . . . . . . . . 6076 1 71 . 1 1 5 5 G H8 H 1 7.158 0.004 . 1 . . . . . . . . 6076 1 72 . 1 1 5 5 G N9 N 15 169.076 0.150 . 1 . . . . . . . . 6076 1 73 . 1 1 6 6 A C1' C 13 93.096 0.120 . 1 . . . . . . . . 6076 1 74 . 1 1 6 6 A C2 C 13 154.240 0.120 . 1 . . . . . . . . 6076 1 75 . 1 1 6 6 A C2' C 13 76.029 0.120 . 1 . . . . . . . . 6076 1 76 . 1 1 6 6 A C4' C 13 82.000 0.200 . 1 . . . . . . . . 6076 1 77 . 1 1 6 6 A C5' C 13 64.800 0.200 . 1 . . . . . . . . 6076 1 78 . 1 1 6 6 A C8 C 13 139.398 0.120 . 1 . . . . . . . . 6076 1 79 . 1 1 6 6 A H1' H 1 5.992 0.005 . 1 . . . . . . . . 6076 1 80 . 1 1 6 6 A H2 H 1 7.817 0.005 . 1 . . . . . . . . 6076 1 81 . 1 1 6 6 A H2' H 1 4.586 0.005 . 1 . . . . . . . . 6076 1 82 . 1 1 6 6 A H3' H 1 4.576 0.010 . 1 . . . . . . . . 6076 1 83 . 1 1 6 6 A H4' H 1 4.486 0.005 . 1 . . . . . . . . 6076 1 84 . 1 1 6 6 A H5'' H 1 4.600 0.020 . 1 . . . . . . . . 6076 1 85 . 1 1 6 6 A H5' H 1 4.170 0.020 . 1 . . . . . . . . 6076 1 86 . 1 1 6 6 A H8 H 1 7.813 0.006 . 1 . . . . . . . . 6076 1 87 . 1 1 6 6 A N9 N 15 170.980 0.150 . 1 . . . . . . . . 6076 1 88 . 1 1 7 7 C C1' C 13 93.919 0.042 . 1 . . . . . . . . 6076 1 89 . 1 1 7 7 C C2' C 13 75.933 0.120 . 1 . . . . . . . . 6076 1 90 . 1 1 7 7 C C3' C 13 73.002 0.088 . 1 . . . . . . . . 6076 1 91 . 1 1 7 7 C C4' C 13 82.258 0.120 . 1 . . . . . . . . 6076 1 92 . 1 1 7 7 C C5' C 13 65.400 0.200 . 1 . . . . . . . . 6076 1 93 . 1 1 7 7 C C5 C 13 97.854 0.120 . 1 . . . . . . . . 6076 1 94 . 1 1 7 7 C C6 C 13 140.083 0.109 . 1 . . . . . . . . 6076 1 95 . 1 1 7 7 C H1' H 1 5.328 0.005 . 1 . . . . . . . . 6076 1 96 . 1 1 7 7 C H2' H 1 4.454 0.010 . 1 . . . . . . . . 6076 1 97 . 1 1 7 7 C H3' H 1 4.280 0.007 . 1 . . . . . . . . 6076 1 98 . 1 1 7 7 C H4' H 1 4.392 0.005 . 1 . . . . . . . . 6076 1 99 . 1 1 7 7 C H5 H 1 5.187 0.005 . 1 . . . . . . . . 6076 1 100 . 1 1 7 7 C H5'' H 1 4.432 0.005 . 1 . . . . . . . . 6076 1 101 . 1 1 7 7 C H5' H 1 4.035 0.013 . 1 . . . . . . . . 6076 1 102 . 1 1 7 7 C H6 H 1 7.252 0.005 . 1 . . . . . . . . 6076 1 103 . 1 1 7 7 C N1 N 15 150.382 0.150 . 1 . . . . . . . . 6076 1 104 . 1 1 8 8 A C1' C 13 93.443 0.032 . 1 . . . . . . . . 6076 1 105 . 1 1 8 8 A C2 C 13 154.285 0.120 . 1 . . . . . . . . 6076 1 106 . 1 1 8 8 A C2' C 13 75.986 0.120 . 1 . . . . . . . . 6076 1 107 . 1 1 8 8 A C3' C 13 73.529 0.034 . 1 . . . . . . . . 6076 1 108 . 1 1 8 8 A C4' C 13 82.974 0.069 . 1 . . . . . . . . 6076 1 109 . 1 1 8 8 A C5' C 13 66.367 0.120 . 1 . . . . . . . . 6076 1 110 . 1 1 8 8 A C8 C 13 139.730 0.061 . 1 . . . . . . . . 6076 1 111 . 1 1 8 8 A H1' H 1 5.898 0.004 . 1 . . . . . . . . 6076 1 112 . 1 1 8 8 A H2 H 1 7.237 0.004 . 1 . . . . . . . . 6076 1 113 . 1 1 8 8 A H2' H 1 4.329 0.007 . 1 . . . . . . . . 6076 1 114 . 1 1 8 8 A H3' H 1 4.396 0.009 . 1 . . . . . . . . 6076 1 115 . 1 1 8 8 A H4' H 1 4.403 0.007 . 1 . . . . . . . . 6076 1 116 . 1 1 8 8 A H5'' H 1 4.424 0.005 . 1 . . . . . . . . 6076 1 117 . 1 1 8 8 A H5' H 1 4.041 0.007 . 1 . . . . . . . . 6076 1 118 . 1 1 8 8 A H8 H 1 7.867 0.006 . 1 . . . . . . . . 6076 1 119 . 1 1 8 8 A N9 N 15 170.545 0.150 . 1 . . . . . . . . 6076 1 120 . 1 1 9 9 U C1' C 13 91.697 0.120 . 1 . . . . . . . . 6076 1 121 . 1 1 9 9 U C2' C 13 76.191 0.044 . 1 . . . . . . . . 6076 1 122 . 1 1 9 9 U C3' C 13 75.269 0.120 . 1 . . . . . . . . 6076 1 123 . 1 1 9 9 U C4' C 13 84.244 0.065 . 1 . . . . . . . . 6076 1 124 . 1 1 9 9 U C5 C 13 104.320 0.120 . 1 . . . . . . . . 6076 1 125 . 1 1 9 9 U C5' C 13 66.230 0.120 . 1 . . . . . . . . 6076 1 126 . 1 1 9 9 U C6 C 13 141.552 0.143 . 1 . . . . . . . . 6076 1 127 . 1 1 9 9 U H1' H 1 5.409 0.005 . 1 . . . . . . . . 6076 1 128 . 1 1 9 9 U H2' H 1 4.031 0.007 . 1 . . . . . . . . 6076 1 129 . 1 1 9 9 U H3' H 1 4.344 0.006 . 1 . . . . . . . . 6076 1 130 . 1 1 9 9 U H4' H 1 4.238 0.007 . 1 . . . . . . . . 6076 1 131 . 1 1 9 9 U H5 H 1 5.234 0.004 . 1 . . . . . . . . 6076 1 132 . 1 1 9 9 U H5'' H 1 4.250 0.009 . 1 . . . . . . . . 6076 1 133 . 1 1 9 9 U H5' H 1 3.945 0.005 . 1 . . . . . . . . 6076 1 134 . 1 1 9 9 U H6 H 1 7.356 0.005 . 1 . . . . . . . . 6076 1 135 . 1 1 9 9 U N1 N 15 144.404 0.150 . 1 . . . . . . . . 6076 1 136 . 1 1 10 10 C C1' C 13 93.052 0.120 . 1 . . . . . . . . 6076 1 137 . 1 1 10 10 C C2' C 13 76.143 0.120 . 1 . . . . . . . . 6076 1 138 . 1 1 10 10 C C3' C 13 74.933 0.120 . 1 . . . . . . . . 6076 1 139 . 1 1 10 10 C C4' C 13 83.878 0.086 . 1 . . . . . . . . 6076 1 140 . 1 1 10 10 C C5 C 13 98.924 0.137 . 1 . . . . . . . . 6076 1 141 . 1 1 10 10 C C5' C 13 66.918 0.054 . 1 . . . . . . . . 6076 1 142 . 1 1 10 10 C C6 C 13 143.088 0.120 . 1 . . . . . . . . 6076 1 143 . 1 1 10 10 C H1' H 1 5.699 0.005 . 1 . . . . . . . . 6076 1 144 . 1 1 10 10 C H2' H 1 4.334 0.009 . 1 . . . . . . . . 6076 1 145 . 1 1 10 10 C H3' H 1 4.353 0.009 . 1 . . . . . . . . 6076 1 146 . 1 1 10 10 C H4' H 1 4.291 0.006 . 1 . . . . . . . . 6076 1 147 . 1 1 10 10 C H5 H 1 5.777 0.009 . 1 . . . . . . . . 6076 1 148 . 1 1 10 10 C H5'' H 1 4.182 0.023 . 1 . . . . . . . . 6076 1 149 . 1 1 10 10 C H5' H 1 3.974 0.007 . 1 . . . . . . . . 6076 1 150 . 1 1 10 10 C H6 H 1 7.726 0.007 . 1 . . . . . . . . 6076 1 151 . 1 1 10 10 C N1 N 15 152.151 0.150 . 1 . . . . . . . . 6076 1 152 . 1 1 11 11 C C1' C 13 93.254 0.120 . 1 . . . . . . . . 6076 1 153 . 1 1 11 11 C C2' C 13 76.277 0.120 . 1 . . . . . . . . 6076 1 154 . 1 1 11 11 C C3' C 13 74.387 0.120 . 1 . . . . . . . . 6076 1 155 . 1 1 11 11 C C4' C 13 83.441 0.120 . 1 . . . . . . . . 6076 1 156 . 1 1 11 11 C C5 C 13 98.883 0.120 . 1 . . . . . . . . 6076 1 157 . 1 1 11 11 C C5' C 13 66.349 0.035 . 1 . . . . . . . . 6076 1 158 . 1 1 11 11 C C6 C 13 142.609 0.120 . 1 . . . . . . . . 6076 1 159 . 1 1 11 11 C H1' H 1 5.690 0.006 . 1 . . . . . . . . 6076 1 160 . 1 1 11 11 C H2' H 1 4.365 0.008 . 1 . . . . . . . . 6076 1 161 . 1 1 11 11 C H3' H 1 4.408 0.007 . 1 . . . . . . . . 6076 1 162 . 1 1 11 11 C H4' H 1 4.325 0.016 . 1 . . . . . . . . 6076 1 163 . 1 1 11 11 C H5 H 1 5.807 0.004 . 1 . . . . . . . . 6076 1 164 . 1 1 11 11 C H5'' H 1 4.258 0.005 . 1 . . . . . . . . 6076 1 165 . 1 1 11 11 C H5' H 1 4.059 0.006 . 1 . . . . . . . . 6076 1 166 . 1 1 11 11 C H6 H 1 7.761 0.008 . 1 . . . . . . . . 6076 1 167 . 1 1 11 11 C N1 N 15 152.473 0.150 . 1 . . . . . . . . 6076 1 168 . 1 1 12 12 C C1' C 13 92.659 0.120 . 1 . . . . . . . . 6076 1 169 . 1 1 12 12 C C2' C 13 76.597 0.120 . 1 . . . . . . . . 6076 1 170 . 1 1 12 12 C C3' C 13 75.200 0.120 . 1 . . . . . . . . 6076 1 171 . 1 1 12 12 C C4' C 13 83.886 0.120 . 1 . . . . . . . . 6076 1 172 . 1 1 12 12 C C5' C 13 64.700 0.200 . 1 . . . . . . . . 6076 1 173 . 1 1 12 12 C C5 C 13 98.639 0.120 . 1 . . . . . . . . 6076 1 174 . 1 1 12 12 C C6 C 13 142.466 0.120 . 1 . . . . . . . . 6076 1 175 . 1 1 12 12 C H1' H 1 5.674 0.005 . 1 . . . . . . . . 6076 1 176 . 1 1 12 12 C H2' H 1 4.308 0.008 . 1 . . . . . . . . 6076 1 177 . 1 1 12 12 C H3' H 1 4.450 0.006 . 1 . . . . . . . . 6076 1 178 . 1 1 12 12 C H4' H 1 4.292 0.008 . 1 . . . . . . . . 6076 1 179 . 1 1 12 12 C H5 H 1 5.791 0.007 . 1 . . . . . . . . 6076 1 180 . 1 1 12 12 C H5'' H 1 4.247 0.030 . 1 . . . . . . . . 6076 1 181 . 1 1 12 12 C H5' H 1 4.077 0.005 . 1 . . . . . . . . 6076 1 182 . 1 1 12 12 C H6 H 1 7.732 0.005 . 1 . . . . . . . . 6076 1 183 . 1 1 12 12 C N1 N 15 152.253 0.150 . 1 . . . . . . . . 6076 1 184 . 1 1 13 13 U C1' C 13 92.545 0.120 . 1 . . . . . . . . 6076 1 185 . 1 1 13 13 U C2' C 13 75.865 0.120 . 1 . . . . . . . . 6076 1 186 . 1 1 13 13 U C3' C 13 75.272 0.120 . 1 . . . . . . . . 6076 1 187 . 1 1 13 13 U C4' C 13 84.101 0.061 . 1 . . . . . . . . 6076 1 188 . 1 1 13 13 U C5 C 13 105.243 0.120 . 1 . . . . . . . . 6076 1 189 . 1 1 13 13 U C5' C 13 66.844 0.078 . 1 . . . . . . . . 6076 1 190 . 1 1 13 13 U C6 C 13 142.646 0.120 . 1 . . . . . . . . 6076 1 191 . 1 1 13 13 U H1' H 1 5.780 0.008 . 1 . . . . . . . . 6076 1 192 . 1 1 13 13 U H2' H 1 4.463 0.006 . 1 . . . . . . . . 6076 1 193 . 1 1 13 13 U H3' H 1 4.439 0.009 . 1 . . . . . . . . 6076 1 194 . 1 1 13 13 U H4' H 1 4.509 0.004 . 1 . . . . . . . . 6076 1 195 . 1 1 13 13 U H5 H 1 5.789 0.006 . 1 . . . . . . . . 6076 1 196 . 1 1 13 13 U H5'' H 1 4.347 0.009 . 1 . . . . . . . . 6076 1 197 . 1 1 13 13 U H5' H 1 4.123 0.008 . 1 . . . . . . . . 6076 1 198 . 1 1 13 13 U H6 H 1 7.850 0.005 . 1 . . . . . . . . 6076 1 199 . 1 1 13 13 U N1 N 15 144.994 0.150 . 1 . . . . . . . . 6076 1 200 . 1 1 14 14 C C1' C 13 94.198 0.120 . 1 . . . . . . . . 6076 1 201 . 1 1 14 14 C C2' C 13 75.602 0.120 . 1 . . . . . . . . 6076 1 202 . 1 1 14 14 C C3' C 13 73.217 0.120 . 1 . . . . . . . . 6076 1 203 . 1 1 14 14 C C4' C 13 82.100 0.200 . 1 . . . . . . . . 6076 1 204 . 1 1 14 14 C C5' C 13 65.400 0.200 . 1 . . . . . . . . 6076 1 205 . 1 1 14 14 C C5 C 13 99.279 0.120 . 1 . . . . . . . . 6076 1 206 . 1 1 14 14 C C6 C 13 141.993 0.120 . 1 . . . . . . . . 6076 1 207 . 1 1 14 14 C H1' H 1 5.569 0.005 . 1 . . . . . . . . 6076 1 208 . 1 1 14 14 C H2' H 1 4.533 0.005 . 1 . . . . . . . . 6076 1 209 . 1 1 14 14 C H3' H 1 4.711 0.007 . 1 . . . . . . . . 6076 1 210 . 1 1 14 14 C H4' H 1 4.475 0.005 . 1 . . . . . . . . 6076 1 211 . 1 1 14 14 C H5'' H 1 4.540 0.020 . 1 . . . . . . . . 6076 1 212 . 1 1 14 14 C H5' H 1 4.150 0.020 . 1 . . . . . . . . 6076 1 213 . 1 1 14 14 C H5 H 1 6.038 0.004 . 1 . . . . . . . . 6076 1 214 . 1 1 14 14 C H6 H 1 8.120 0.006 . 1 . . . . . . . . 6076 1 215 . 1 1 14 14 C N1 N 15 151.736 0.150 . 1 . . . . . . . . 6076 1 216 . 1 1 15 15 A C1' C 13 93.151 0.120 . 1 . . . . . . . . 6076 1 217 . 1 1 15 15 A C2 C 13 153.753 0.120 . 1 . . . . . . . . 6076 1 218 . 1 1 15 15 A C2' C 13 76.078 0.120 . 1 . . . . . . . . 6076 1 219 . 1 1 15 15 A C3' C 13 72.917 0.120 . 1 . . . . . . . . 6076 1 220 . 1 1 15 15 A C4' C 13 82.331 0.120 . 1 . . . . . . . . 6076 1 221 . 1 1 15 15 A C5' C 13 65.000 0.200 . 1 . . . . . . . . 6076 1 222 . 1 1 15 15 A C8 C 13 139.965 0.120 . 1 . . . . . . . . 6076 1 223 . 1 1 15 15 A H1' H 1 6.056 0.004 . 1 . . . . . . . . 6076 1 224 . 1 1 15 15 A H2 H 1 7.627 0.004 . 1 . . . . . . . . 6076 1 225 . 1 1 15 15 A H2' H 1 4.560 0.007 . 1 . . . . . . . . 6076 1 226 . 1 1 15 15 A H3' H 1 4.843 0.007 . 1 . . . . . . . . 6076 1 227 . 1 1 15 15 A H4' H 1 4.554 0.009 . 1 . . . . . . . . 6076 1 228 . 1 1 15 15 A H5'' H 1 4.640 0.005 . 1 . . . . . . . . 6076 1 229 . 1 1 15 15 A H5' H 1 4.241 0.005 . 1 . . . . . . . . 6076 1 230 . 1 1 15 15 A H8 H 1 8.317 0.005 . 1 . . . . . . . . 6076 1 231 . 1 1 15 15 A N9 N 15 171.404 0.150 . 1 . . . . . . . . 6076 1 232 . 1 1 16 16 C C1' C 13 93.477 0.120 . 1 . . . . . . . . 6076 1 233 . 1 1 16 16 C C2' C 13 76.011 0.120 . 1 . . . . . . . . 6076 1 234 . 1 1 16 16 C C3' C 13 72.400 0.200 . 1 . . . . . . . . 6076 1 235 . 1 1 16 16 C C4' C 13 82.100 0.200 . 1 . . . . . . . . 6076 1 236 . 1 1 16 16 C C5' C 13 64.800 0.200 . 1 . . . . . . . . 6076 1 237 . 1 1 16 16 C C5 C 13 97.878 0.120 . 1 . . . . . . . . 6076 1 238 . 1 1 16 16 C C6 C 13 140.425 0.120 . 1 . . . . . . . . 6076 1 239 . 1 1 16 16 C H1' H 1 5.526 0.006 . 1 . . . . . . . . 6076 1 240 . 1 1 16 16 C H2' H 1 4.385 0.005 . 1 . . . . . . . . 6076 1 241 . 1 1 16 16 C H3' H 1 4.420 0.005 . 1 . . . . . . . . 6076 1 242 . 1 1 16 16 C H4' H 1 4.450 0.005 . 1 . . . . . . . . 6076 1 243 . 1 1 16 16 C H5'' H 1 4.470 0.020 . 1 . . . . . . . . 6076 1 244 . 1 1 16 16 C H5' H 1 4.060 0.010 . 1 . . . . . . . . 6076 1 245 . 1 1 16 16 C H5 H 1 5.317 0.005 . 1 . . . . . . . . 6076 1 246 . 1 1 16 16 C H6 H 1 7.637 0.007 . 1 . . . . . . . . 6076 1 247 . 1 1 16 16 C N1 N 15 150.654 0.150 . 1 . . . . . . . . 6076 1 248 . 1 1 17 17 G C1' C 13 92.945 0.120 . 1 . . . . . . . . 6076 1 249 . 1 1 17 17 G C2' C 13 75.973 0.120 . 1 . . . . . . . . 6076 1 250 . 1 1 17 17 G C3' C 13 72.794 0.120 . 1 . . . . . . . . 6076 1 251 . 1 1 17 17 G C4' C 13 82.000 0.200 . 1 . . . . . . . . 6076 1 252 . 1 1 17 17 G C5' C 13 65.400 0.200 . 1 . . . . . . . . 6076 1 253 . 1 1 17 17 G C8 C 13 136.012 0.120 . 1 . . . . . . . . 6076 1 254 . 1 1 17 17 G H1' H 1 5.761 0.005 . 1 . . . . . . . . 6076 1 255 . 1 1 17 17 G H2' H 1 4.498 0.007 . 1 . . . . . . . . 6076 1 256 . 1 1 17 17 G H3' H 1 4.635 0.006 . 1 . . . . . . . . 6076 1 257 . 1 1 17 17 G H4' H 1 4.389 0.005 . 1 . . . . . . . . 6076 1 258 . 1 1 17 17 G H5'' H 1 4.532 0.005 . 1 . . . . . . . . 6076 1 259 . 1 1 17 17 G H5' H 1 4.134 0.005 . 1 . . . . . . . . 6076 1 260 . 1 1 17 17 G H8 H 1 7.534 0.005 . 1 . . . . . . . . 6076 1 261 . 1 1 17 17 G N9 N 15 169.347 0.150 . 1 . . . . . . . . 6076 1 262 . 1 1 18 18 G C1' C 13 93.015 0.120 . 1 . . . . . . . . 6076 1 263 . 1 1 18 18 G C2' C 13 76.068 0.120 . 1 . . . . . . . . 6076 1 264 . 1 1 18 18 G C3' C 13 72.300 0.200 . 1 . . . . . . . . 6076 1 265 . 1 1 18 18 G C4' C 13 83.700 0.200 . 1 . . . . . . . . 6076 1 266 . 1 1 18 18 G C5' C 13 66.200 0.200 . 1 . . . . . . . . 6076 1 267 . 1 1 18 18 G C8 C 13 135.800 0.120 . 1 . . . . . . . . 6076 1 268 . 1 1 18 18 G H1' H 1 5.782 0.006 . 1 . . . . . . . . 6076 1 269 . 1 1 18 18 G H2' H 1 4.575 0.004 . 1 . . . . . . . . 6076 1 270 . 1 1 18 18 G H3' H 1 4.578 0.005 . 1 . . . . . . . . 6076 1 271 . 1 1 18 18 G H4' H 1 4.455 0.005 . 1 . . . . . . . . 6076 1 272 . 1 1 18 18 G H5'' H 1 4.379 0.020 . 1 . . . . . . . . 6076 1 273 . 1 1 18 18 G H5' H 1 4.118 0.005 . 1 . . . . . . . . 6076 1 274 . 1 1 18 18 G H8 H 1 7.177 0.006 . 1 . . . . . . . . 6076 1 275 . 1 1 18 18 G N9 N 15 169.488 0.150 . 1 . . . . . . . . 6076 1 276 . 1 1 19 19 G C1' C 13 94.052 0.120 . 1 . . . . . . . . 6076 1 277 . 1 1 19 19 G C2' C 13 76.059 0.120 . 1 . . . . . . . . 6076 1 278 . 1 1 19 19 G C3' C 13 72.405 0.137 . 1 . . . . . . . . 6076 1 279 . 1 1 19 19 G C4' C 13 82.509 0.120 . 1 . . . . . . . . 6076 1 280 . 1 1 19 19 G C5' C 13 64.986 0.125 . 1 . . . . . . . . 6076 1 281 . 1 1 19 19 G C8 C 13 135.849 0.120 . 1 . . . . . . . . 6076 1 282 . 1 1 19 19 G H1' H 1 5.777 0.010 . 1 . . . . . . . . 6076 1 283 . 1 1 19 19 G H2' H 1 4.385 0.008 . 1 . . . . . . . . 6076 1 284 . 1 1 19 19 G H3' H 1 4.498 0.005 . 1 . . . . . . . . 6076 1 285 . 1 1 19 19 G H4' H 1 4.338 0.007 . 1 . . . . . . . . 6076 1 286 . 1 1 19 19 G H5'' H 1 4.416 0.005 . 1 . . . . . . . . 6076 1 287 . 1 1 19 19 G H5' H 1 4.072 0.013 . 1 . . . . . . . . 6076 1 288 . 1 1 19 19 G H8 H 1 7.110 0.008 . 1 . . . . . . . . 6076 1 289 . 1 1 19 19 G N9 N 15 170.537 0.150 . 1 . . . . . . . . 6076 1 290 . 1 1 20 20 U C1' C 13 92.773 0.120 . 1 . . . . . . . . 6076 1 291 . 1 1 20 20 U C2' C 13 76.094 0.120 . 1 . . . . . . . . 6076 1 292 . 1 1 20 20 U C3' C 13 73.617 0.169 . 1 . . . . . . . . 6076 1 293 . 1 1 20 20 U C4' C 13 83.683 0.079 . 1 . . . . . . . . 6076 1 294 . 1 1 20 20 U C5 C 13 104.216 0.120 . 1 . . . . . . . . 6076 1 295 . 1 1 20 20 U C5' C 13 65.146 0.100 . 1 . . . . . . . . 6076 1 296 . 1 1 20 20 U C6 C 13 143.045 0.120 . 1 . . . . . . . . 6076 1 297 . 1 1 20 20 U H1' H 1 5.431 0.008 . 1 . . . . . . . . 6076 1 298 . 1 1 20 20 U H2' H 1 4.365 0.010 . 1 . . . . . . . . 6076 1 299 . 1 1 20 20 U H3' H 1 4.153 0.011 . 1 . . . . . . . . 6076 1 300 . 1 1 20 20 U H4' H 1 4.079 0.006 . 1 . . . . . . . . 6076 1 301 . 1 1 20 20 U H5 H 1 5.441 0.005 . 1 . . . . . . . . 6076 1 302 . 1 1 20 20 U H5'' H 1 4.171 0.008 . 1 . . . . . . . . 6076 1 303 . 1 1 20 20 U H5' H 1 3.840 0.007 . 1 . . . . . . . . 6076 1 304 . 1 1 20 20 U H6 H 1 7.756 0.006 . 1 . . . . . . . . 6076 1 305 . 1 1 20 20 U N1 N 15 145.714 0.150 . 1 . . . . . . . . 6076 1 306 . 1 1 21 21 G C1' C 13 92.511 0.120 . 1 . . . . . . . . 6076 1 307 . 1 1 21 21 G C2' C 13 76.169 0.120 . 1 . . . . . . . . 6076 1 308 . 1 1 21 21 G C3' C 13 74.564 0.099 . 1 . . . . . . . . 6076 1 309 . 1 1 21 21 G C4' C 13 83.446 0.120 . 1 . . . . . . . . 6076 1 310 . 1 1 21 21 G C5' C 13 66.102 0.120 . 1 . . . . . . . . 6076 1 311 . 1 1 21 21 G C8 C 13 137.570 0.120 . 1 . . . . . . . . 6076 1 312 . 1 1 21 21 G H1' H 1 5.497 0.005 . 1 . . . . . . . . 6076 1 313 . 1 1 21 21 G H2' H 1 4.320 0.007 . 1 . . . . . . . . 6076 1 314 . 1 1 21 21 G H3' H 1 4.667 0.005 . 1 . . . . . . . . 6076 1 315 . 1 1 21 21 G H4' H 1 4.301 0.008 . 1 . . . . . . . . 6076 1 316 . 1 1 21 21 G H5'' H 1 3.948 0.009 . 1 . . . . . . . . 6076 1 317 . 1 1 21 21 G H5' H 1 4.085 0.005 . 1 . . . . . . . . 6076 1 318 . 1 1 21 21 G H8 H 1 7.783 0.009 . 1 . . . . . . . . 6076 1 319 . 1 1 21 21 G N9 N 15 169.973 0.150 . 1 . . . . . . . . 6076 1 320 . 1 1 22 22 A C1' C 13 91.889 0.047 . 1 . . . . . . . . 6076 1 321 . 1 1 22 22 A C2 C 13 155.896 0.120 . 1 . . . . . . . . 6076 1 322 . 1 1 22 22 A C2' C 13 77.171 0.056 . 1 . . . . . . . . 6076 1 323 . 1 1 22 22 A C3' C 13 73.788 0.103 . 1 . . . . . . . . 6076 1 324 . 1 1 22 22 A C4' C 13 83.012 0.075 . 1 . . . . . . . . 6076 1 325 . 1 1 22 22 A C5' C 13 66.140 0.120 . 1 . . . . . . . . 6076 1 326 . 1 1 22 22 A C8 C 13 140.641 0.089 . 1 . . . . . . . . 6076 1 327 . 1 1 22 22 A H1' H 1 6.151 0.004 . 1 . . . . . . . . 6076 1 328 . 1 1 22 22 A H2 H 1 8.269 0.003 . 1 . . . . . . . . 6076 1 329 . 1 1 22 22 A H2' H 1 4.525 0.007 . 1 . . . . . . . . 6076 1 330 . 1 1 22 22 A H3' H 1 4.974 0.009 . 1 . . . . . . . . 6076 1 331 . 1 1 22 22 A H4' H 1 4.475 0.007 . 1 . . . . . . . . 6076 1 332 . 1 1 22 22 A H5'' H 1 4.544 0.007 . 1 . . . . . . . . 6076 1 333 . 1 1 22 22 A H5' H 1 4.279 0.005 . 1 . . . . . . . . 6076 1 334 . 1 1 22 22 A H8 H 1 8.281 0.007 . 1 . . . . . . . . 6076 1 335 . 1 1 22 22 A N9 N 15 172.558 0.150 . 1 . . . . . . . . 6076 1 336 . 1 1 23 23 C C1' C 13 95.481 0.035 . 1 . . . . . . . . 6076 1 337 . 1 1 23 23 C C2' C 13 75.017 0.120 . 1 . . . . . . . . 6076 1 338 . 1 1 23 23 C C3' C 13 74.828 0.120 . 1 . . . . . . . . 6076 1 339 . 1 1 23 23 C C4' C 13 83.064 0.028 . 1 . . . . . . . . 6076 1 340 . 1 1 23 23 C C5 C 13 99.639 0.120 . 1 . . . . . . . . 6076 1 341 . 1 1 23 23 C C5' C 13 69.595 0.038 . 1 . . . . . . . . 6076 1 342 . 1 1 23 23 C C6 C 13 142.130 0.120 . 1 . . . . . . . . 6076 1 343 . 1 1 23 23 C H1' H 1 3.946 0.020 . 1 . . . . . . . . 6076 1 344 . 1 1 23 23 C H2' H 1 4.362 0.006 . 1 . . . . . . . . 6076 1 345 . 1 1 23 23 C H3' H 1 4.073 0.005 . 1 . . . . . . . . 6076 1 346 . 1 1 23 23 C H4' H 1 4.209 0.008 . 1 . . . . . . . . 6076 1 347 . 1 1 23 23 C H5 H 1 6.103 0.005 . 1 . . . . . . . . 6076 1 348 . 1 1 23 23 C H5'' H 1 4.294 0.008 . 1 . . . . . . . . 6076 1 349 . 1 1 23 23 C H5' H 1 4.202 0.006 . 1 . . . . . . . . 6076 1 350 . 1 1 23 23 C H6 H 1 7.929 0.008 . 1 . . . . . . . . 6076 1 351 . 1 1 23 23 C N1 N 15 150.510 0.150 . 1 . . . . . . . . 6076 1 352 . 1 1 24 24 C C1' C 13 94.086 0.120 . 1 . . . . . . . . 6076 1 353 . 1 1 24 24 C C2' C 13 75.672 0.120 . 1 . . . . . . . . 6076 1 354 . 1 1 24 24 C C3' C 13 72.900 0.200 . 1 . . . . . . . . 6076 1 355 . 1 1 24 24 C C4' C 13 82.000 0.200 . 1 . . . . . . . . 6076 1 356 . 1 1 24 24 C C5' C 13 64.800 0.200 . 1 . . . . . . . . 6076 1 357 . 1 1 24 24 C C5 C 13 98.681 0.120 . 1 . . . . . . . . 6076 1 358 . 1 1 24 24 C C6 C 13 141.074 0.120 . 1 . . . . . . . . 6076 1 359 . 1 1 24 24 C H1' H 1 5.535 0.006 . 1 . . . . . . . . 6076 1 360 . 1 1 24 24 C H2' H 1 4.603 0.007 . 1 . . . . . . . . 6076 1 361 . 1 1 24 24 C H3' H 1 4.501 0.005 . 1 . . . . . . . . 6076 1 362 . 1 1 24 24 C H4' H 1 4.410 0.005 . 1 . . . . . . . . 6076 1 363 . 1 1 24 24 C H5 H 1 5.653 0.006 . 1 . . . . . . . . 6076 1 364 . 1 1 24 24 C H5'' H 1 4.546 0.005 . 1 . . . . . . . . 6076 1 365 . 1 1 24 24 C H5' H 1 4.124 0.005 . 1 . . . . . . . . 6076 1 366 . 1 1 24 24 C H6 H 1 7.787 0.006 . 1 . . . . . . . . 6076 1 367 . 1 1 24 24 C N1 N 15 150.563 0.150 . 1 . . . . . . . . 6076 1 368 . 1 1 25 25 G C1' C 13 93.384 0.157 . 1 . . . . . . . . 6076 1 369 . 1 1 25 25 G C2' C 13 75.632 0.120 . 1 . . . . . . . . 6076 1 370 . 1 1 25 25 G C3' C 13 73.079 0.120 . 1 . . . . . . . . 6076 1 371 . 1 1 25 25 G C4' C 13 82.100 0.200 . 1 . . . . . . . . 6076 1 372 . 1 1 25 25 G C5' C 13 65.000 0.200 . 1 . . . . . . . . 6076 1 373 . 1 1 25 25 G C8 C 13 136.427 0.120 . 1 . . . . . . . . 6076 1 374 . 1 1 25 25 G H1' H 1 5.729 0.007 . 1 . . . . . . . . 6076 1 375 . 1 1 25 25 G H2' H 1 4.517 0.006 . 1 . . . . . . . . 6076 1 376 . 1 1 25 25 G H3' H 1 4.579 0.005 . 1 . . . . . . . . 6076 1 377 . 1 1 25 25 G H4' H 1 4.479 0.009 . 1 . . . . . . . . 6076 1 378 . 1 1 25 25 G H5'' H 1 4.582 0.005 . 1 . . . . . . . . 6076 1 379 . 1 1 25 25 G H5' H 1 4.127 0.005 . 1 . . . . . . . . 6076 1 380 . 1 1 25 25 G H8 H 1 7.631 0.005 . 1 . . . . . . . . 6076 1 381 . 1 1 25 25 G N9 N 15 169.294 0.150 . 1 . . . . . . . . 6076 1 382 . 1 1 26 26 U C1' C 13 93.912 0.120 . 1 . . . . . . . . 6076 1 383 . 1 1 26 26 U C2' C 13 75.768 0.120 . 1 . . . . . . . . 6076 1 384 . 1 1 26 26 U C3' C 13 72.629 0.120 . 1 . . . . . . . . 6076 1 385 . 1 1 26 26 U C4' C 13 82.200 0.200 . 1 . . . . . . . . 6076 1 386 . 1 1 26 26 U C5 C 13 103.387 0.138 . 1 . . . . . . . . 6076 1 387 . 1 1 26 26 U C5' C 13 65.002 0.127 . 1 . . . . . . . . 6076 1 388 . 1 1 26 26 U C6 C 13 140.915 0.120 . 1 . . . . . . . . 6076 1 389 . 1 1 26 26 U H1' H 1 5.548 0.007 . 1 . . . . . . . . 6076 1 390 . 1 1 26 26 U H2' H 1 4.363 0.008 . 1 . . . . . . . . 6076 1 391 . 1 1 26 26 U H3' H 1 4.572 0.008 . 1 . . . . . . . . 6076 1 392 . 1 1 26 26 U H4' H 1 4.442 0.009 . 1 . . . . . . . . 6076 1 393 . 1 1 26 26 U H5 H 1 5.177 0.005 . 1 . . . . . . . . 6076 1 394 . 1 1 26 26 U H5'' H 1 4.575 0.006 . 1 . . . . . . . . 6076 1 395 . 1 1 26 26 U H5' H 1 4.099 0.005 . 1 . . . . . . . . 6076 1 396 . 1 1 26 26 U H6 H 1 7.749 0.004 . 1 . . . . . . . . 6076 1 397 . 1 1 26 26 U N1 N 15 145.621 0.150 . 1 . . . . . . . . 6076 1 398 . 1 1 27 27 G C1' C 13 90.401 0.070 . 1 . . . . . . . . 6076 1 399 . 1 1 27 27 G C2' C 13 77.747 0.120 . 1 . . . . . . . . 6076 1 400 . 1 1 27 27 G C3' C 13 76.245 0.120 . 1 . . . . . . . . 6076 1 401 . 1 1 27 27 G C4' C 13 84.915 0.022 . 1 . . . . . . . . 6076 1 402 . 1 1 27 27 G C5' C 13 66.482 0.120 . 1 . . . . . . . . 6076 1 403 . 1 1 27 27 G C8 C 13 137.635 0.120 . 1 . . . . . . . . 6076 1 404 . 1 1 27 27 G H1' H 1 6.028 0.005 . 1 . . . . . . . . 6076 1 405 . 1 1 27 27 G H2' H 1 4.341 0.007 . 1 . . . . . . . . 6076 1 406 . 1 1 27 27 G H3' H 1 4.826 0.007 . 1 . . . . . . . . 6076 1 407 . 1 1 27 27 G H4' H 1 4.559 0.007 . 1 . . . . . . . . 6076 1 408 . 1 1 27 27 G H5'' H 1 4.520 0.006 . 1 . . . . . . . . 6076 1 409 . 1 1 27 27 G H5' H 1 4.185 0.005 . 1 . . . . . . . . 6076 1 410 . 1 1 27 27 G H8 H 1 7.784 0.006 . 1 . . . . . . . . 6076 1 411 . 1 1 27 27 G N9 N 15 168.478 0.150 . 1 . . . . . . . . 6076 1 412 . 1 1 28 28 G C1' C 13 92.911 0.120 . 1 . . . . . . . . 6076 1 413 . 1 1 28 28 G C2' C 13 75.315 0.120 . 1 . . . . . . . . 6076 1 414 . 1 1 28 28 G C3' C 13 74.650 0.122 . 1 . . . . . . . . 6076 1 415 . 1 1 28 28 G C4' C 13 83.637 0.120 . 1 . . . . . . . . 6076 1 416 . 1 1 28 28 G C5' C 13 67.481 0.095 . 1 . . . . . . . . 6076 1 417 . 1 1 28 28 G C8 C 13 138.748 0.120 . 1 . . . . . . . . 6076 1 418 . 1 1 28 28 G H1' H 1 5.828 0.004 . 1 . . . . . . . . 6076 1 419 . 1 1 28 28 G H2' H 1 4.735 0.011 . 1 . . . . . . . . 6076 1 420 . 1 1 28 28 G H3' H 1 4.592 0.015 . 1 . . . . . . . . 6076 1 421 . 1 1 28 28 G H4' H 1 4.533 0.007 . 1 . . . . . . . . 6076 1 422 . 1 1 28 28 G H5'' H 1 4.440 0.010 . 1 . . . . . . . . 6076 1 423 . 1 1 28 28 G H5' H 1 4.213 0.006 . 1 . . . . . . . . 6076 1 424 . 1 1 28 28 G H8 H 1 8.083 0.007 . 1 . . . . . . . . 6076 1 425 . 1 1 28 28 G N9 N 15 168.901 0.150 . 1 . . . . . . . . 6076 1 426 . 1 1 29 29 U C1' C 13 94.061 0.120 . 1 . . . . . . . . 6076 1 427 . 1 1 29 29 U C2' C 13 75.666 0.120 . 1 . . . . . . . . 6076 1 428 . 1 1 29 29 U C3' C 13 72.925 0.120 . 1 . . . . . . . . 6076 1 429 . 1 1 29 29 U C4' C 13 82.733 0.120 . 1 . . . . . . . . 6076 1 430 . 1 1 29 29 U C5' C 13 65.100 0.200 . 1 . . . . . . . . 6076 1 431 . 1 1 29 29 U C5 C 13 102.688 0.120 . 1 . . . . . . . . 6076 1 432 . 1 1 29 29 U C6 C 13 142.681 0.120 . 1 . . . . . . . . 6076 1 433 . 1 1 29 29 U H1' H 1 5.650 0.005 . 1 . . . . . . . . 6076 1 434 . 1 1 29 29 U H2' H 1 4.607 0.008 . 1 . . . . . . . . 6076 1 435 . 1 1 29 29 U H3' H 1 4.513 0.005 . 1 . . . . . . . . 6076 1 436 . 1 1 29 29 U H4' H 1 4.508 0.005 . 1 . . . . . . . . 6076 1 437 . 1 1 29 29 U H5 H 1 5.169 0.008 . 1 . . . . . . . . 6076 1 438 . 1 1 29 29 U H5'' H 1 4.563 0.013 . 1 . . . . . . . . 6076 1 439 . 1 1 29 29 U H5' H 1 4.200 0.012 . 1 . . . . . . . . 6076 1 440 . 1 1 29 29 U H6 H 1 7.894 0.011 . 1 . . . . . . . . 6076 1 441 . 1 1 29 29 U N1 N 15 147.319 0.150 . 1 . . . . . . . . 6076 1 442 . 1 1 30 30 C C1' C 13 94.411 0.010 . 1 . . . . . . . . 6076 1 443 . 1 1 30 30 C C2' C 13 75.952 0.120 . 1 . . . . . . . . 6076 1 444 . 1 1 30 30 C C3' C 13 72.400 0.200 . 1 . . . . . . . . 6076 1 445 . 1 1 30 30 C C4' C 13 82.400 0.200 . 1 . . . . . . . . 6076 1 446 . 1 1 30 30 C C5 C 13 98.005 0.120 . 1 . . . . . . . . 6076 1 447 . 1 1 30 30 C C5' C 13 65.528 0.120 . 1 . . . . . . . . 6076 1 448 . 1 1 30 30 C C6 C 13 141.851 0.120 . 1 . . . . . . . . 6076 1 449 . 1 1 30 30 C H1' H 1 5.610 0.006 . 1 . . . . . . . . 6076 1 450 . 1 1 30 30 C H2' H 1 4.417 0.008 . 1 . . . . . . . . 6076 1 451 . 1 1 30 30 C H3' H 1 4.457 0.013 . 1 . . . . . . . . 6076 1 452 . 1 1 30 30 C H4' H 1 4.477 0.008 . 1 . . . . . . . . 6076 1 453 . 1 1 30 30 C H5 H 1 5.700 0.003 . 1 . . . . . . . . 6076 1 454 . 1 1 30 30 C H5'' H 1 4.537 0.005 . 1 . . . . . . . . 6076 1 455 . 1 1 30 30 C H5' H 1 4.205 0.005 . 1 . . . . . . . . 6076 1 456 . 1 1 30 30 C H6 H 1 7.898 0.009 . 1 . . . . . . . . 6076 1 457 . 1 1 30 30 C N1 N 15 151.641 0.150 . 1 . . . . . . . . 6076 1 458 . 1 1 31 31 C C1' C 13 94.509 0.120 . 1 . . . . . . . . 6076 1 459 . 1 1 31 31 C C2' C 13 75.797 0.157 . 1 . . . . . . . . 6076 1 460 . 1 1 31 31 C C3' C 13 72.998 0.120 . 1 . . . . . . . . 6076 1 461 . 1 1 31 31 C C4' C 13 81.800 0.200 . 1 . . . . . . . . 6076 1 462 . 1 1 31 31 C C5' C 13 64.700 0.200 . 1 . . . . . . . . 6076 1 463 . 1 1 31 31 C C5 C 13 97.941 0.120 . 1 . . . . . . . . 6076 1 464 . 1 1 31 31 C C6 C 13 141.697 0.120 . 1 . . . . . . . . 6076 1 465 . 1 1 31 31 C H1' H 1 5.451 0.007 . 1 . . . . . . . . 6076 1 466 . 1 1 31 31 C H2' H 1 4.368 0.005 . 1 . . . . . . . . 6076 1 467 . 1 1 31 31 C H3' H 1 4.479 0.013 . 1 . . . . . . . . 6076 1 468 . 1 1 31 31 C H4' H 1 4.418 0.015 . 1 . . . . . . . . 6076 1 469 . 1 1 31 31 C H5 H 1 5.555 0.005 . 1 . . . . . . . . 6076 1 470 . 1 1 31 31 C H5'' H 1 4.540 0.020 . 1 . . . . . . . . 6076 1 471 . 1 1 31 31 C H5' H 1 4.048 0.005 . 1 . . . . . . . . 6076 1 472 . 1 1 31 31 C H6 H 1 7.826 0.007 . 1 . . . . . . . . 6076 1 473 . 1 1 31 31 C N1 N 15 151.026 0.150 . 1 . . . . . . . . 6076 1 474 . 1 1 32 32 U C1' C 13 94.239 0.120 . 1 . . . . . . . . 6076 1 475 . 1 1 32 32 U C2' C 13 75.468 0.120 . 1 . . . . . . . . 6076 1 476 . 1 1 32 32 U C3' C 13 72.421 0.120 . 1 . . . . . . . . 6076 1 477 . 1 1 32 32 U C4' C 13 82.306 0.120 . 1 . . . . . . . . 6076 1 478 . 1 1 32 32 U C5' C 13 64.300 0.200 . 1 . . . . . . . . 6076 1 479 . 1 1 32 32 U C5 C 13 103.472 0.120 . 1 . . . . . . . . 6076 1 480 . 1 1 32 32 U C6 C 13 142.528 0.125 . 1 . . . . . . . . 6076 1 481 . 1 1 32 32 U H1' H 1 5.533 0.004 . 1 . . . . . . . . 6076 1 482 . 1 1 32 32 U H2' H 1 4.502 0.009 . 1 . . . . . . . . 6076 1 483 . 1 1 32 32 U H3' H 1 4.561 0.004 . 1 . . . . . . . . 6076 1 484 . 1 1 32 32 U H4' H 1 4.445 0.016 . 1 . . . . . . . . 6076 1 485 . 1 1 32 32 U H5 H 1 5.411 0.006 . 1 . . . . . . . . 6076 1 486 . 1 1 32 32 U H5'' H 1 4.580 0.020 . 1 . . . . . . . . 6076 1 487 . 1 1 32 32 U H5' H 1 4.088 0.005 . 1 . . . . . . . . 6076 1 488 . 1 1 32 32 U H6 H 1 7.973 0.008 . 1 . . . . . . . . 6076 1 489 . 1 1 32 32 U N1 N 15 146.808 0.150 . 1 . . . . . . . . 6076 1 490 . 1 1 33 33 C C1' C 13 94.544 0.120 . 1 . . . . . . . . 6076 1 491 . 1 1 33 33 C C2' C 13 76.039 0.055 . 1 . . . . . . . . 6076 1 492 . 1 1 33 33 C C3' C 13 72.492 0.120 . 1 . . . . . . . . 6076 1 493 . 1 1 33 33 C C4' C 13 82.103 0.120 . 1 . . . . . . . . 6076 1 494 . 1 1 33 33 C C5 C 13 97.517 0.120 . 1 . . . . . . . . 6076 1 495 . 1 1 33 33 C C5' C 13 64.661 0.120 . 1 . . . . . . . . 6076 1 496 . 1 1 33 33 C C6 C 13 142.031 0.227 . 1 . . . . . . . . 6076 1 497 . 1 1 33 33 C H1' H 1 5.584 0.005 . 1 . . . . . . . . 6076 1 498 . 1 1 33 33 C H2' H 1 4.209 0.009 . 1 . . . . . . . . 6076 1 499 . 1 1 33 33 C H3' H 1 4.503 0.008 . 1 . . . . . . . . 6076 1 500 . 1 1 33 33 C H4' H 1 4.423 0.011 . 1 . . . . . . . . 6076 1 501 . 1 1 33 33 C H5 H 1 5.660 0.005 . 1 . . . . . . . . 6076 1 502 . 1 1 33 33 C H5'' H 1 4.578 0.005 . 1 . . . . . . . . 6076 1 503 . 1 1 33 33 C H5' H 1 4.077 0.011 . 1 . . . . . . . . 6076 1 504 . 1 1 33 33 C H6 H 1 7.942 0.007 . 1 . . . . . . . . 6076 1 505 . 1 1 33 33 C N1 N 15 152.084 0.150 . 1 . . . . . . . . 6076 1 506 . 1 1 34 34 C C1' C 13 93.190 0.120 . 1 . . . . . . . . 6076 1 507 . 1 1 34 34 C C2' C 13 77.897 0.120 . 1 . . . . . . . . 6076 1 508 . 1 1 34 34 C C3' C 13 70.121 0.018 . 1 . . . . . . . . 6076 1 509 . 1 1 34 34 C C4' C 13 83.861 0.046 . 1 . . . . . . . . 6076 1 510 . 1 1 34 34 C C5 C 13 98.311 0.120 . 1 . . . . . . . . 6076 1 511 . 1 1 34 34 C C5' C 13 65.585 0.120 . 1 . . . . . . . . 6076 1 512 . 1 1 34 34 C C6 C 13 141.979 0.120 . 1 . . . . . . . . 6076 1 513 . 1 1 34 34 C H1' H 1 5.723 0.004 . 1 . . . . . . . . 6076 1 514 . 1 1 34 34 C H2' H 1 3.996 0.031 . 1 . . . . . . . . 6076 1 515 . 1 1 34 34 C H3' H 1 4.173 0.005 . 1 . . . . . . . . 6076 1 516 . 1 1 34 34 C H4' H 1 4.167 0.007 . 1 . . . . . . . . 6076 1 517 . 1 1 34 34 C H5 H 1 5.479 0.010 . 1 . . . . . . . . 6076 1 518 . 1 1 34 34 C H5'' H 1 4.489 0.006 . 1 . . . . . . . . 6076 1 519 . 1 1 34 34 C H5' H 1 4.026 0.010 . 1 . . . . . . . . 6076 1 520 . 1 1 34 34 C H6 H 1 7.669 0.006 . 1 . . . . . . . . 6076 1 521 . 1 1 34 34 C N1 N 15 152.471 0.150 . 1 . . . . . . . . 6076 1 stop_ save_ ################################### # 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_chemical_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2 _Assigned_chem_shift_list.Entry_ID 6076 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 6076 2 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 2 2 G H1 H 1 12.445 0.001 . 1 . . . . . . . . 6076 2 2 . 1 1 2 2 G H1' H 1 5.967 0.010 . 1 . . . . . . . . 6076 2 3 . 1 1 2 2 G H8 H 1 7.552 0.010 . 1 . . . . . . . . 6076 2 4 . 1 1 3 3 A H1' H 1 6.019 0.010 . 1 . . . . . . . . 6076 2 5 . 1 1 3 3 A H2 H 1 7.490 0.010 . 1 . . . . . . . . 6076 2 6 . 1 1 3 3 A H61 H 1 8.337 0.010 . 1 . . . . . . . . 6076 2 7 . 1 1 3 3 A H62 H 1 6.088 0.010 . 1 . . . . . . . . 6076 2 8 . 1 1 3 3 A H8 H 1 7.788 0.010 . 1 . . . . . . . . 6076 2 9 . 1 1 4 4 G H1 H 1 12.799 0.003 . 1 . . . . . . . . 6076 2 10 . 1 1 4 4 G H1' H 1 5.643 0.010 . 1 . . . . . . . . 6076 2 11 . 1 1 4 4 G H8 H 1 7.097 0.010 . 1 . . . . . . . . 6076 2 12 . 1 1 5 5 G H1 H 1 12.527 0.001 . 1 . . . . . . . . 6076 2 13 . 1 1 5 5 G H1' H 1 5.730 0.010 . 1 . . . . . . . . 6076 2 14 . 1 1 5 5 G H8 H 1 7.189 0.010 . 1 . . . . . . . . 6076 2 15 . 1 1 6 6 A H1' H 1 6.017 0.010 . 1 . . . . . . . . 6076 2 16 . 1 1 6 6 A H2 H 1 7.841 0.010 . 1 . . . . . . . . 6076 2 17 . 1 1 6 6 A H2' H 1 4.620 0.010 . 1 . . . . . . . . 6076 2 18 . 1 1 6 6 A H8 H 1 7.860 0.010 . 1 . . . . . . . . 6076 2 19 . 1 1 7 7 C H1' H 1 5.341 0.010 . 1 . . . . . . . . 6076 2 20 . 1 1 7 7 C H3' H 1 4.299 0.010 . 1 . . . . . . . . 6076 2 21 . 1 1 7 7 C H41 H 1 8.062 0.009 . 1 . . . . . . . . 6076 2 22 . 1 1 7 7 C H42 H 1 7.023 0.003 . 1 . . . . . . . . 6076 2 23 . 1 1 7 7 C H5 H 1 5.221 0.010 . 1 . . . . . . . . 6076 2 24 . 1 1 7 7 C H6 H 1 7.281 0.004 . 1 . . . . . . . . 6076 2 25 . 1 1 8 8 A H1' H 1 5.914 0.010 . 1 . . . . . . . . 6076 2 26 . 1 1 8 8 A H2 H 1 7.208 0.010 . 1 . . . . . . . . 6076 2 27 . 1 1 8 8 A H2' H 1 4.370 0.010 . 1 . . . . . . . . 6076 2 28 . 1 1 8 8 A H3' H 1 4.373 0.010 . 1 . . . . . . . . 6076 2 29 . 1 1 8 8 A H8 H 1 7.872 0.010 . 1 . . . . . . . . 6076 2 30 . 1 1 9 9 U H1' H 1 5.410 0.010 . 1 . . . . . . . . 6076 2 31 . 1 1 9 9 U H2' H 1 4.048 0.010 . 1 . . . . . . . . 6076 2 32 . 1 1 9 9 U H5 H 1 5.235 0.010 . 1 . . . . . . . . 6076 2 33 . 1 1 9 9 U H5' H 1 3.952 0.010 . 1 . . . . . . . . 6076 2 34 . 1 1 9 9 U H6 H 1 7.350 0.010 . 1 . . . . . . . . 6076 2 35 . 1 1 10 10 C H6 H 1 7.772 0.010 . 1 . . . . . . . . 6076 2 36 . 1 1 13 13 U H1' H 1 5.772 0.010 . 1 . . . . . . . . 6076 2 37 . 1 1 13 13 U H2' H 1 4.502 0.010 . 1 . . . . . . . . 6076 2 38 . 1 1 13 13 U H3' H 1 4.446 0.010 . 1 . . . . . . . . 6076 2 39 . 1 1 13 13 U H5 H 1 5.794 0.010 . 1 . . . . . . . . 6076 2 40 . 1 1 13 13 U H6 H 1 7.859 0.010 . 1 . . . . . . . . 6076 2 41 . 1 1 14 14 C H1' H 1 5.586 0.010 . 1 . . . . . . . . 6076 2 42 . 1 1 14 14 C H2' H 1 4.541 0.010 . 1 . . . . . . . . 6076 2 43 . 1 1 14 14 C H41 H 1 8.569 0.010 . 1 . . . . . . . . 6076 2 44 . 1 1 14 14 C H42 H 1 7.378 0.010 . 1 . . . . . . . . 6076 2 45 . 1 1 14 14 C H5 H 1 6.051 0.010 . 1 . . . . . . . . 6076 2 46 . 1 1 14 14 C H6 H 1 8.150 0.010 . 1 . . . . . . . . 6076 2 47 . 1 1 15 15 A H1' H 1 6.074 0.010 . 1 . . . . . . . . 6076 2 48 . 1 1 15 15 A H2 H 1 7.643 0.010 . 1 . . . . . . . . 6076 2 49 . 1 1 15 15 A H2' H 1 4.579 0.010 . 1 . . . . . . . . 6076 2 50 . 1 1 15 15 A H3' H 1 4.889 0.010 . 1 . . . . . . . . 6076 2 51 . 1 1 15 15 A H8 H 1 8.346 0.010 . 1 . . . . . . . . 6076 2 52 . 1 1 16 16 C H1' H 1 5.559 0.010 . 1 . . . . . . . . 6076 2 53 . 1 1 16 16 C H2' H 1 4.405 0.010 . 1 . . . . . . . . 6076 2 54 . 1 1 16 16 C H41 H 1 8.323 0.010 . 1 . . . . . . . . 6076 2 55 . 1 1 16 16 C H42 H 1 6.939 0.010 . 1 . . . . . . . . 6076 2 56 . 1 1 16 16 C H5 H 1 5.340 0.010 . 1 . . . . . . . . 6076 2 57 . 1 1 16 16 C H6 H 1 7.674 0.010 . 1 . . . . . . . . 6076 2 58 . 1 1 17 17 G H1 H 1 12.431 0.003 . 1 . . . . . . . . 6076 2 59 . 1 1 17 17 G H1' H 1 5.781 0.010 . 1 . . . . . . . . 6076 2 60 . 1 1 17 17 G H2' H 1 4.529 0.010 . 1 . . . . . . . . 6076 2 61 . 1 1 17 17 G H8 H 1 7.550 0.010 . 1 . . . . . . . . 6076 2 62 . 1 1 18 18 G H1 H 1 13.121 0.002 . 1 . . . . . . . . 6076 2 63 . 1 1 18 18 G H1' H 1 5.772 0.010 . 1 . . . . . . . . 6076 2 64 . 1 1 18 18 G H2' H 1 4.600 0.010 . 1 . . . . . . . . 6076 2 65 . 1 1 18 18 G H3' H 1 4.494 0.010 . 1 . . . . . . . . 6076 2 66 . 1 1 18 18 G H8 H 1 7.179 0.010 . 1 . . . . . . . . 6076 2 67 . 1 1 19 19 G H1 H 1 10.834 0.001 . 1 . . . . . . . . 6076 2 68 . 1 1 19 19 G H1' H 1 5.819 0.010 . 1 . . . . . . . . 6076 2 69 . 1 1 19 19 G H5' H 1 4.050 0.010 . 1 . . . . . . . . 6076 2 70 . 1 1 20 20 U H3' H 1 4.156 0.010 . 1 . . . . . . . . 6076 2 71 . 1 1 20 20 U H4' H 1 4.102 0.010 . 1 . . . . . . . . 6076 2 72 . 1 1 20 20 U H5'' H 1 4.178 0.010 . 1 . . . . . . . . 6076 2 73 . 1 1 20 20 U H5' H 1 3.841 0.010 . 1 . . . . . . . . 6076 2 74 . 1 1 21 21 G H1 H 1 10.544 0.010 . 1 . . . . . . . . 6076 2 75 . 1 1 21 21 G H1' H 1 5.507 0.010 . 1 . . . . . . . . 6076 2 76 . 1 1 21 21 G H2' H 1 4.306 0.010 . 1 . . . . . . . . 6076 2 77 . 1 1 21 21 G H21 H 1 6.186 0.010 . 1 . . . . . . . . 6076 2 78 . 1 1 21 21 G H3' H 1 4.692 0.010 . 1 . . . . . . . . 6076 2 79 . 1 1 21 21 G H4' H 1 4.314 0.010 . 1 . . . . . . . . 6076 2 80 . 1 1 21 21 G H5'' H 1 3.976 0.010 . 1 . . . . . . . . 6076 2 81 . 1 1 21 21 G H5' H 1 4.173 0.010 . 1 . . . . . . . . 6076 2 82 . 1 1 21 21 G H8 H 1 7.803 0.010 . 1 . . . . . . . . 6076 2 83 . 1 1 22 22 A H1' H 1 6.169 0.010 . 1 . . . . . . . . 6076 2 84 . 1 1 22 22 A H2 H 1 8.291 0.010 . 1 . . . . . . . . 6076 2 85 . 1 1 22 22 A H3' H 1 4.979 0.010 . 1 . . . . . . . . 6076 2 86 . 1 1 22 22 A H4' H 1 4.495 0.010 . 1 . . . . . . . . 6076 2 87 . 1 1 22 22 A H8 H 1 8.297 0.010 . 1 . . . . . . . . 6076 2 88 . 1 1 23 23 C H1' H 1 3.841 0.010 . 1 . . . . . . . . 6076 2 89 . 1 1 23 23 C H2' H 1 4.372 0.010 . 1 . . . . . . . . 6076 2 90 . 1 1 23 23 C H4' H 1 4.198 0.010 . 1 . . . . . . . . 6076 2 91 . 1 1 23 23 C H41 H 1 8.781 0.004 . 1 . . . . . . . . 6076 2 92 . 1 1 23 23 C H42 H 1 7.103 0.010 . 1 . . . . . . . . 6076 2 93 . 1 1 23 23 C H5 H 1 6.118 0.010 . 1 . . . . . . . . 6076 2 94 . 1 1 23 23 C H6 H 1 7.962 0.004 . 1 . . . . . . . . 6076 2 95 . 1 1 24 24 C H1' H 1 5.547 0.010 . 1 . . . . . . . . 6076 2 96 . 1 1 24 24 C H2' H 1 4.611 0.010 . 1 . . . . . . . . 6076 2 97 . 1 1 24 24 C H41 H 1 8.509 0.010 . 1 . . . . . . . . 6076 2 98 . 1 1 24 24 C H42 H 1 6.925 0.006 . 1 . . . . . . . . 6076 2 99 . 1 1 24 24 C H5 H 1 5.674 0.010 . 1 . . . . . . . . 6076 2 100 . 1 1 24 24 C H6 H 1 7.795 0.014 . 1 . . . . . . . . 6076 2 101 . 1 1 25 25 G H1 H 1 12.986 0.003 . 1 . . . . . . . . 6076 2 102 . 1 1 25 25 G H1' H 1 5.755 0.010 . 1 . . . . . . . . 6076 2 103 . 1 1 25 25 G H8 H 1 7.652 0.010 . 1 . . . . . . . . 6076 2 104 . 1 1 26 26 U H1' H 1 5.562 0.010 . 1 . . . . . . . . 6076 2 105 . 1 1 26 26 U H2' H 1 4.390 0.010 . 1 . . . . . . . . 6076 2 106 . 1 1 26 26 U H3 H 1 14.141 0.004 . 1 . . . . . . . . 6076 2 107 . 1 1 26 26 U H5 H 1 5.202 0.010 . 1 . . . . . . . . 6076 2 108 . 1 1 26 26 U H6 H 1 7.768 0.010 . 1 . . . . . . . . 6076 2 109 . 1 1 27 27 G H1 H 1 12.654 0.005 . 1 . . . . . . . . 6076 2 110 . 1 1 27 27 G H1' H 1 6.054 0.010 . 1 . . . . . . . . 6076 2 111 . 1 1 27 27 G H3' H 1 4.849 0.010 . 1 . . . . . . . . 6076 2 112 . 1 1 27 27 G H8 H 1 7.800 0.010 . 1 . . . . . . . . 6076 2 113 . 1 1 28 28 G H1 H 1 12.663 0.003 . 1 . . . . . . . . 6076 2 114 . 1 1 28 28 G H21 H 1 8.541 0.010 . 1 . . . . . . . . 6076 2 115 . 1 1 28 28 G H8 H 1 8.114 0.010 . 1 . . . . . . . . 6076 2 116 . 1 1 29 29 U H1' H 1 5.650 0.016 . 1 . . . . . . . . 6076 2 117 . 1 1 29 29 U H3 H 1 14.361 0.001 . 1 . . . . . . . . 6076 2 118 . 1 1 29 29 U H5 H 1 5.191 0.010 . 1 . . . . . . . . 6076 2 119 . 1 1 29 29 U H6 H 1 7.919 0.010 . 1 . . . . . . . . 6076 2 120 . 1 1 30 30 C H3' H 1 4.446 0.010 . 1 . . . . . . . . 6076 2 121 . 1 1 30 30 C H41 H 1 8.574 0.010 . 1 . . . . . . . . 6076 2 122 . 1 1 30 30 C H42 H 1 7.058 0.010 . 1 . . . . . . . . 6076 2 123 . 1 1 30 30 C H5 H 1 5.704 0.010 . 1 . . . . . . . . 6076 2 124 . 1 1 30 30 C H6 H 1 7.888 0.010 . 1 . . . . . . . . 6076 2 125 . 1 1 31 31 C H1' H 1 5.469 0.010 . 1 . . . . . . . . 6076 2 126 . 1 1 31 31 C H3' H 1 4.501 0.010 . 1 . . . . . . . . 6076 2 127 . 1 1 31 31 C H41 H 1 8.557 0.010 . 1 . . . . . . . . 6076 2 128 . 1 1 31 31 C H42 H 1 6.976 0.010 . 1 . . . . . . . . 6076 2 129 . 1 1 31 31 C H5 H 1 5.573 0.010 . 1 . . . . . . . . 6076 2 130 . 1 1 31 31 C H6 H 1 7.808 0.010 . 1 . . . . . . . . 6076 2 131 . 1 1 32 32 U H1' H 1 5.548 0.010 . 1 . . . . . . . . 6076 2 132 . 1 1 32 32 U H2' H 1 4.553 0.010 . 1 . . . . . . . . 6076 2 133 . 1 1 32 32 U H3 H 1 14.104 0.003 . 1 . . . . . . . . 6076 2 134 . 1 1 32 32 U H5 H 1 5.437 0.010 . 1 . . . . . . . . 6076 2 135 . 1 1 32 32 U H6 H 1 7.986 0.010 . 1 . . . . . . . . 6076 2 136 . 1 1 33 33 C H1' H 1 5.606 0.010 . 1 . . . . . . . . 6076 2 137 . 1 1 33 33 C H2' H 1 4.232 0.010 . 1 . . . . . . . . 6076 2 138 . 1 1 33 33 C H41 H 1 8.399 0.010 . 1 . . . . . . . . 6076 2 139 . 1 1 33 33 C H42 H 1 7.057 0.010 . 1 . . . . . . . . 6076 2 140 . 1 1 33 33 C H5 H 1 5.670 0.010 . 1 . . . . . . . . 6076 2 141 . 1 1 33 33 C H6 H 1 7.974 0.010 . 1 . . . . . . . . 6076 2 142 . 1 1 34 34 C H1' H 1 5.723 0.010 . 1 . . . . . . . . 6076 2 143 . 1 1 34 34 C H2' H 1 4.017 0.010 . 1 . . . . . . . . 6076 2 144 . 1 1 34 34 C H5 H 1 5.495 0.010 . 1 . . . . . . . . 6076 2 145 . 1 1 34 34 C H6 H 1 7.679 0.010 . 1 . . . . . . . . 6076 2 stop_ save_