################################### # 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4816 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_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 $vRNA-H2O . 4816 1 . . 2 $vRNA-D2O . 4816 1 . . 3 $vRNA-CN-H2O . 4816 1 . . 4 $vRNA-CN-D2O . 4816 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 A H1' H 1 5.970 0.000 . 1 . . . . . . . . 4816 1 2 . 1 1 1 1 A H2 H 1 7.842 0.000 . 1 . . . . . . . . 4816 1 3 . 1 1 1 1 A H2' H 1 4.922 0.000 . 1 . . . . . . . . 4816 1 4 . 1 1 1 1 A H3' H 1 4.658 0.001 . 1 . . . . . . . . 4816 1 5 . 1 1 1 1 A H4' H 1 4.417 0.001 . 1 . . . . . . . . 4816 1 6 . 1 1 1 1 A H5' H 1 4.046 0.001 . 4 . . . . . . . . 4816 1 7 . 1 1 1 1 A H5'' H 1 3.948 0.001 . 4 . . . . . . . . 4816 1 8 . 1 1 1 1 A H8 H 1 8.400 0.001 . 1 . . . . . . . . 4816 1 9 . 1 1 1 1 A C1' C 13 89.568 0.000 . 1 . . . . . . . . 4816 1 10 . 1 1 1 1 A C5' C 13 60.096 0.000 . 1 . . . . . . . . 4816 1 11 . 1 1 2 2 G N1 N 15 151.313 0.000 . 1 . . . . . . . . 4816 1 12 . 1 1 2 2 G P P 31 -3.656 0.000 . 1 . . . . . . . . 4816 1 13 . 1 1 2 2 G H1' H 1 5.685 0.001 . 1 . . . . . . . . 4816 1 14 . 1 1 2 2 G H2' H 1 4.636 0.001 . 1 . . . . . . . . 4816 1 15 . 1 1 2 2 G H3' H 1 4.411 0.002 . 1 . . . . . . . . 4816 1 16 . 1 1 2 2 G H4' H 1 4.496 0.000 . 1 . . . . . . . . 4816 1 17 . 1 1 2 2 G H5' H 1 4.186 0.000 . 4 . . . . . . . . 4816 1 18 . 1 1 2 2 G H5'' H 1 4.184 0.001 . 4 . . . . . . . . 4816 1 19 . 1 1 2 2 G H8 H 1 7.439 0.001 . 1 . . . . . . . . 4816 1 20 . 1 1 2 2 G H1 H 1 13.569 0.001 . 1 . . . . . . . . 4816 1 21 . 1 1 2 2 G C1' C 13 92.314 0.000 . 1 . . . . . . . . 4816 1 22 . 1 1 3 3 U N3 N 15 161.635 0.000 . 1 . . . . . . . . 4816 1 23 . 1 1 3 3 U P P 31 -4.146 0.000 . 1 . . . . . . . . 4816 1 24 . 1 1 3 3 U H1' H 1 5.475 0.000 . 1 . . . . . . . . 4816 1 25 . 1 1 3 3 U H2' H 1 4.243 0.001 . 1 . . . . . . . . 4816 1 26 . 1 1 3 3 U H3' H 1 4.613 0.002 . 1 . . . . . . . . 4816 1 27 . 1 1 3 3 U H5 H 1 5.473 0.000 . 1 . . . . . . . . 4816 1 28 . 1 1 3 3 U H6 H 1 7.647 0.002 . 1 . . . . . . . . 4816 1 29 . 1 1 3 3 U H3 H 1 11.703 0.003 . 1 . . . . . . . . 4816 1 30 . 1 1 3 3 U C1' C 13 90.922 0.000 . 1 . . . . . . . . 4816 1 31 . 1 1 4 4 A P P 31 -4.019 0.000 . 1 . . . . . . . . 4816 1 32 . 1 1 4 4 A H1' H 1 6.032 0.001 . 1 . . . . . . . . 4816 1 33 . 1 1 4 4 A H2 H 1 6.845 0.001 . 1 . . . . . . . . 4816 1 34 . 1 1 4 4 A H2' H 1 4.726 0.001 . 1 . . . . . . . . 4816 1 35 . 1 1 4 4 A H3' H 1 4.469 0.001 . 1 . . . . . . . . 4816 1 36 . 1 1 4 4 A H4' H 1 4.547 0.000 . 1 . . . . . . . . 4816 1 37 . 1 1 4 4 A H8 H 1 8.287 0.002 . 1 . . . . . . . . 4816 1 38 . 1 1 4 4 A C1' C 13 89.308 0.000 . 1 . . . . . . . . 4816 1 39 . 1 1 5 5 G N1 N 15 145.203 0.000 . 1 . . . . . . . . 4816 1 40 . 1 1 5 5 G P P 31 -3.559 0.001 . 1 . . . . . . . . 4816 1 41 . 1 1 5 5 G H1' H 1 5.483 0.001 . 1 . . . . . . . . 4816 1 42 . 1 1 5 5 G H2' H 1 4.649 0.002 . 1 . . . . . . . . 4816 1 43 . 1 1 5 5 G H3' H 1 4.504 0.000 . 1 . . . . . . . . 4816 1 44 . 1 1 5 5 G H4' H 1 4.185 0.002 . 1 . . . . . . . . 4816 1 45 . 1 1 5 5 G H5' H 1 4.267 0.000 . 4 . . . . . . . . 4816 1 46 . 1 1 5 5 G H5'' H 1 4.047 0.002 . 4 . . . . . . . . 4816 1 47 . 1 1 5 5 G H8 H 1 6.927 0.001 . 1 . . . . . . . . 4816 1 48 . 1 1 5 5 G H1 H 1 10.538 0.010 . 1 . . . . . . . . 4816 1 49 . 1 1 5 5 G H22 H 1 6.297 0.019 . 1 . . . . . . . . 4816 1 50 . 1 1 6 6 A N6 N 15 81.455 0.000 . 1 . . . . . . . . 4816 1 51 . 1 1 6 6 A P P 31 -4.053 0.000 . 1 . . . . . . . . 4816 1 52 . 1 1 6 6 A H1' H 1 5.865 0.000 . 1 . . . . . . . . 4816 1 53 . 1 1 6 6 A H2 H 1 7.269 0.001 . 1 . . . . . . . . 4816 1 54 . 1 1 6 6 A H2' H 1 4.660 0.000 . 1 . . . . . . . . 4816 1 55 . 1 1 6 6 A H3' H 1 4.509 0.000 . 1 . . . . . . . . 4816 1 56 . 1 1 6 6 A H8 H 1 7.593 0.001 . 1 . . . . . . . . 4816 1 57 . 1 1 6 6 A H61 H 1 6.927 0.004 . 1 . . . . . . . . 4816 1 58 . 1 1 6 6 A C1' C 13 89.664 0.000 . 1 . . . . . . . . 4816 1 59 . 1 1 6 6 A H62 H 1 7.786 0.008 . 1 . . . . . . . . 4816 1 60 . 1 1 6 6 A HO2' H 1 6.807 0.003 . 1 . . . . . . . . 4816 1 61 . 1 1 7 7 A P P 31 -3.890 0.000 . 1 . . . . . . . . 4816 1 62 . 1 1 7 7 A H1' H 1 5.806 0.001 . 1 . . . . . . . . 4816 1 63 . 1 1 7 7 A H2 H 1 6.993 0.000 . 1 . . . . . . . . 4816 1 64 . 1 1 7 7 A H2' H 1 4.543 0.003 . 1 . . . . . . . . 4816 1 65 . 1 1 7 7 A H3' H 1 4.512 0.000 . 1 . . . . . . . . 4816 1 66 . 1 1 7 7 A H8 H 1 7.539 0.001 . 1 . . . . . . . . 4816 1 67 . 1 1 7 7 A C1' C 13 90.466 0.000 . 1 . . . . . . . . 4816 1 68 . 1 1 7 7 A HO2' H 1 6.744 0.006 . 1 . . . . . . . . 4816 1 69 . 1 1 8 8 A H1' H 1 6.032 0.000 . 1 . . . . . . . . 4816 1 70 . 1 1 8 8 A H2 H 1 8.122 0.001 . 1 . . . . . . . . 4816 1 71 . 1 1 8 8 A H2' H 1 4.546 0.000 . 1 . . . . . . . . 4816 1 72 . 1 1 8 8 A H8 H 1 7.783 0.002 . 1 . . . . . . . . 4816 1 73 . 1 1 8 8 A C1' C 13 89.665 0.000 . 1 . . . . . . . . 4816 1 74 . 1 1 9 9 C N4 N 15 101.676 0.000 . 1 . . . . . . . . 4816 1 75 . 1 1 9 9 C H1' H 1 5.417 0.001 . 1 . . . . . . . . 4816 1 76 . 1 1 9 9 C H2' H 1 4.095 0.001 . 1 . . . . . . . . 4816 1 77 . 1 1 9 9 C H3' H 1 4.458 0.002 . 1 . . . . . . . . 4816 1 78 . 1 1 9 9 C H4' H 1 4.341 0.000 . 1 . . . . . . . . 4816 1 79 . 1 1 9 9 C H5 H 1 5.312 0.000 . 1 . . . . . . . . 4816 1 80 . 1 1 9 9 C H6 H 1 7.469 0.002 . 1 . . . . . . . . 4816 1 81 . 1 1 9 9 C H41 H 1 7.248 0.001 . 1 . . . . . . . . 4816 1 82 . 1 1 9 9 C H42 H 1 8.163 0.004 . 1 . . . . . . . . 4816 1 83 . 1 1 10 10 A P P 31 -3.860 0.000 . 1 . . . . . . . . 4816 1 84 . 1 1 10 10 A H1' H 1 5.873 0.002 . 1 . . . . . . . . 4816 1 85 . 1 1 10 10 A H2 H 1 7.048 0.006 . 1 . . . . . . . . 4816 1 86 . 1 1 10 10 A H2' H 1 4.383 0.000 . 1 . . . . . . . . 4816 1 87 . 1 1 10 10 A H3' H 1 4.650 0.002 . 1 . . . . . . . . 4816 1 88 . 1 1 10 10 A H4' H 1 4.455 0.000 . 1 . . . . . . . . 4816 1 89 . 1 1 10 10 A H8 H 1 7.980 0.001 . 1 . . . . . . . . 4816 1 90 . 1 1 10 10 A C1' C 13 88.934 0.000 . 1 . . . . . . . . 4816 1 91 . 1 1 10 10 A C4' C 13 84.709 0.000 . 1 . . . . . . . . 4816 1 92 . 1 1 11 11 A P P 31 -3.600 0.000 . 1 . . . . . . . . 4816 1 93 . 1 1 11 11 A H1' H 1 5.894 0.002 . 1 . . . . . . . . 4816 1 94 . 1 1 11 11 A H2 H 1 7.689 0.001 . 1 . . . . . . . . 4816 1 95 . 1 1 11 11 A H2' H 1 4.676 0.001 . 1 . . . . . . . . 4816 1 96 . 1 1 11 11 A H3' H 1 4.514 0.001 . 1 . . . . . . . . 4816 1 97 . 1 1 11 11 A H4' H 1 4.186 0.001 . 1 . . . . . . . . 4816 1 98 . 1 1 11 11 A H5' H 1 4.275 0.000 . 4 . . . . . . . . 4816 1 99 . 1 1 11 11 A H5'' H 1 4.320 0.000 . 4 . . . . . . . . 4816 1 100 . 1 1 11 11 A H8 H 1 8.071 0.002 . 1 . . . . . . . . 4816 1 101 . 1 1 11 11 A C1' C 13 87.892 0.000 . 1 . . . . . . . . 4816 1 102 . 1 1 11 11 A C4' C 13 84.631 0.000 . 1 . . . . . . . . 4816 1 103 . 1 1 12 12 G N1 N 15 150.325 0.000 . 1 . . . . . . . . 4816 1 104 . 1 1 12 12 G P P 31 -3.537 0.000 . 1 . . . . . . . . 4816 1 105 . 1 1 12 12 G H1' H 1 5.673 0.003 . 1 . . . . . . . . 4816 1 106 . 1 1 12 12 G H2' H 1 4.617 0.000 . 1 . . . . . . . . 4816 1 107 . 1 1 12 12 G H3' H 1 4.428 0.002 . 1 . . . . . . . . 4816 1 108 . 1 1 12 12 G H4' H 1 4.341 0.000 . 1 . . . . . . . . 4816 1 109 . 1 1 12 12 G H5' H 1 4.177 0.001 . 4 . . . . . . . . 4816 1 110 . 1 1 12 12 G H8 H 1 7.374 0.001 . 1 . . . . . . . . 4816 1 111 . 1 1 12 12 G H1 H 1 12.795 0.002 . 1 . . . . . . . . 4816 1 112 . 1 1 12 12 G C1' C 13 91.343 0.000 . 1 . . . . . . . . 4816 1 113 . 1 1 13 13 G N1 N 15 151.367 0.000 . 1 . . . . . . . . 4816 1 114 . 1 1 13 13 G P P 31 -4.114 0.051 . 1 . . . . . . . . 4816 1 115 . 1 1 13 13 G H1' H 1 5.823 0.001 . 1 . . . . . . . . 4816 1 116 . 1 1 13 13 G H2' H 1 4.548 0.000 . 1 . . . . . . . . 4816 1 117 . 1 1 13 13 G H3' H 1 4.485 0.000 . 1 . . . . . . . . 4816 1 118 . 1 1 13 13 G H5' H 1 4.112 0.000 . 4 . . . . . . . . 4816 1 119 . 1 1 13 13 G H8 H 1 7.401 0.001 . 1 . . . . . . . . 4816 1 120 . 1 1 13 13 G H1 H 1 13.415 0.005 . 1 . . . . . . . . 4816 1 121 . 1 1 13 13 G C1' C 13 89.960 0.000 . 1 . . . . . . . . 4816 1 122 . 1 1 14 14 C N4 N 15 102.316 0.000 . 1 . . . . . . . . 4816 1 123 . 1 1 14 14 C H1' H 1 5.522 0.001 . 1 . . . . . . . . 4816 1 124 . 1 1 14 14 C H2' H 1 4.326 0.138 . 1 . . . . . . . . 4816 1 125 . 1 1 14 14 C H3' H 1 4.228 0.000 . 1 . . . . . . . . 4816 1 126 . 1 1 14 14 C H4' H 1 4.430 0.000 . 1 . . . . . . . . 4816 1 127 . 1 1 14 14 C H5 H 1 5.198 0.001 . 1 . . . . . . . . 4816 1 128 . 1 1 14 14 C H5' H 1 4.027 0.001 . 4 . . . . . . . . 4816 1 129 . 1 1 14 14 C H6 H 1 7.410 0.002 . 1 . . . . . . . . 4816 1 130 . 1 1 14 14 C H41 H 1 7.002 0.003 . 1 . . . . . . . . 4816 1 131 . 1 1 14 14 C H42 H 1 8.628 0.005 . 1 . . . . . . . . 4816 1 132 . 1 1 14 14 C C1' C 13 91.664 0.000 . 1 . . . . . . . . 4816 1 133 . 1 1 14 14 C C4' C 13 84.582 0.000 . 1 . . . . . . . . 4816 1 134 . 1 1 14 14 C C5' C 13 60.291 0.000 . 1 . . . . . . . . 4816 1 135 . 1 1 15 15 U N3 N 15 162.963 0.000 . 1 . . . . . . . . 4816 1 136 . 1 1 15 15 U P P 31 -4.585 0.000 . 1 . . . . . . . . 4816 1 137 . 1 1 15 15 U H1' H 1 5.679 0.001 . 1 . . . . . . . . 4816 1 138 . 1 1 15 15 U H2' H 1 3.801 0.001 . 1 . . . . . . . . 4816 1 139 . 1 1 15 15 U H3' H 1 4.523 0.002 . 1 . . . . . . . . 4816 1 140 . 1 1 15 15 U H4' H 1 4.374 0.001 . 1 . . . . . . . . 4816 1 141 . 1 1 15 15 U H5 H 1 5.715 0.000 . 1 . . . . . . . . 4816 1 142 . 1 1 15 15 U H6 H 1 7.772 0.001 . 1 . . . . . . . . 4816 1 143 . 1 1 15 15 U H3 H 1 11.868 0.000 . 1 . . . . . . . . 4816 1 144 . 1 1 15 15 U HO2' H 1 6.674 0.003 . 1 . . . . . . . . 4816 1 145 . 1 1 16 16 U N3 N 15 161.018 0.000 . 1 . . . . . . . . 4816 1 146 . 1 1 16 16 U P P 31 -3.403 0.001 . 1 . . . . . . . . 4816 1 147 . 1 1 16 16 U H1' H 1 6.107 0.001 . 1 . . . . . . . . 4816 1 148 . 1 1 16 16 U H2' H 1 4.687 0.001 . 1 . . . . . . . . 4816 1 149 . 1 1 16 16 U H3' H 1 4.017 0.002 . 1 . . . . . . . . 4816 1 150 . 1 1 16 16 U H4' H 1 4.479 0.001 . 1 . . . . . . . . 4816 1 151 . 1 1 16 16 U H5 H 1 5.860 0.000 . 1 . . . . . . . . 4816 1 152 . 1 1 16 16 U H5'' H 1 4.181 0.096 . 4 . . . . . . . . 4816 1 153 . 1 1 16 16 U H6 H 1 8.031 0.001 . 1 . . . . . . . . 4816 1 154 . 1 1 16 16 U H3 H 1 11.265 0.000 . 1 . . . . . . . . 4816 1 155 . 1 1 16 16 U C1' C 13 86.855 0.000 . 1 . . . . . . . . 4816 1 156 . 1 1 17 17 C N1 N 15 175.811 0.000 . 1 . . . . . . . . 4816 1 157 . 1 1 17 17 C N4 N 15 96.534 0.008 . 1 . . . . . . . . 4816 1 158 . 1 1 17 17 C P P 31 -4.962 0.000 . 1 . . . . . . . . 4816 1 159 . 1 1 17 17 C H1' H 1 5.957 0.002 . 1 . . . . . . . . 4816 1 160 . 1 1 17 17 C H2' H 1 4.095 0.001 . 1 . . . . . . . . 4816 1 161 . 1 1 17 17 C H3' H 1 4.473 0.001 . 1 . . . . . . . . 4816 1 162 . 1 1 17 17 C H4' H 1 3.788 0.001 . 1 . . . . . . . . 4816 1 163 . 1 1 17 17 C H5 H 1 6.133 0.001 . 1 . . . . . . . . 4816 1 164 . 1 1 17 17 C H5' H 1 3.598 0.003 . 4 . . . . . . . . 4816 1 165 . 1 1 17 17 C H5'' H 1 2.701 0.002 . 4 . . . . . . . . 4816 1 166 . 1 1 17 17 C H6 H 1 7.691 0.002 . 1 . . . . . . . . 4816 1 167 . 1 1 17 17 C H41 H 1 7.177 0.001 . 1 . . . . . . . . 4816 1 168 . 1 1 17 17 C C1' C 13 89.801 0.000 . 1 . . . . . . . . 4816 1 169 . 1 1 17 17 C H42 H 1 6.428 0.003 . 1 . . . . . . . . 4816 1 170 . 1 1 17 17 C C4' C 13 82.134 0.000 . 1 . . . . . . . . 4816 1 171 . 1 1 17 17 C C5' C 13 61.329 0.010 . 1 . . . . . . . . 4816 1 172 . 1 1 18 18 G N1 N 15 146.091 0.000 . 1 . . . . . . . . 4816 1 173 . 1 1 18 18 G P P 31 -4.900 0.000 . 1 . . . . . . . . 4816 1 174 . 1 1 18 18 G H1' H 1 5.954 0.000 . 1 . . . . . . . . 4816 1 175 . 1 1 18 18 G H2' H 1 4.841 0.001 . 1 . . . . . . . . 4816 1 176 . 1 1 18 18 G H3' H 1 5.622 0.002 . 1 . . . . . . . . 4816 1 177 . 1 1 18 18 G H4' H 1 4.392 0.003 . 1 . . . . . . . . 4816 1 178 . 1 1 18 18 G H5' H 1 4.393 0.000 . 4 . . . . . . . . 4816 1 179 . 1 1 18 18 G H5'' H 1 4.172 0.001 . 4 . . . . . . . . 4816 1 180 . 1 1 18 18 G H8 H 1 7.851 0.000 . 1 . . . . . . . . 4816 1 181 . 1 1 18 18 G H1 H 1 9.922 0.003 . 1 . . . . . . . . 4816 1 182 . 1 1 18 18 G C1' C 13 86.743 0.000 . 1 . . . . . . . . 4816 1 183 . 1 1 18 18 G C3' C 13 73.565 0.000 . 1 . . . . . . . . 4816 1 184 . 1 1 18 18 G C4' C 13 82.796 0.000 . 1 . . . . . . . . 4816 1 185 . 1 1 19 19 G N1 N 15 151.275 0.000 . 1 . . . . . . . . 4816 1 186 . 1 1 19 19 G P P 31 -2.393 0.002 . 1 . . . . . . . . 4816 1 187 . 1 1 19 19 G H1' H 1 4.387 0.001 . 1 . . . . . . . . 4816 1 188 . 1 1 19 19 G H2' H 1 4.426 0.002 . 1 . . . . . . . . 4816 1 189 . 1 1 19 19 G H3' H 1 4.237 0.000 . 1 . . . . . . . . 4816 1 190 . 1 1 19 19 G H8 H 1 8.276 0.001 . 1 . . . . . . . . 4816 1 191 . 1 1 19 19 G H1 H 1 13.554 0.003 . 1 . . . . . . . . 4816 1 192 . 1 1 19 19 G H21 H 1 6.503 0.007 . 1 . . . . . . . . 4816 1 193 . 1 1 19 19 G H22 H 1 8.974 0.005 . 1 . . . . . . . . 4816 1 194 . 1 1 19 19 G C1' C 13 90.830 0.000 . 1 . . . . . . . . 4816 1 195 . 1 1 20 20 C N4 N 15 101.618 0.000 . 1 . . . . . . . . 4816 1 196 . 1 1 20 20 C P P 31 -4.145 0.000 . 1 . . . . . . . . 4816 1 197 . 1 1 20 20 C H1' H 1 5.524 0.000 . 1 . . . . . . . . 4816 1 198 . 1 1 20 20 C H2' H 1 4.471 0.003 . 1 . . . . . . . . 4816 1 199 . 1 1 20 20 C H3' H 1 4.372 0.003 . 1 . . . . . . . . 4816 1 200 . 1 1 20 20 C H4' H 1 4.418 0.000 . 1 . . . . . . . . 4816 1 201 . 1 1 20 20 C H5 H 1 5.246 0.001 . 1 . . . . . . . . 4816 1 202 . 1 1 20 20 C H6 H 1 7.674 0.001 . 1 . . . . . . . . 4816 1 203 . 1 1 20 20 C H41 H 1 6.944 0.002 . 1 . . . . . . . . 4816 1 204 . 1 1 20 20 C H42 H 1 8.821 0.003 . 1 . . . . . . . . 4816 1 205 . 1 1 21 21 C N4 N 15 101.293 0.000 . 1 . . . . . . . . 4816 1 206 . 1 1 21 21 C H1' H 1 5.563 0.001 . 1 . . . . . . . . 4816 1 207 . 1 1 21 21 C H2' H 1 4.416 0.000 . 1 . . . . . . . . 4816 1 208 . 1 1 21 21 C H5 H 1 5.559 0.002 . 1 . . . . . . . . 4816 1 209 . 1 1 21 21 C H6 H 1 7.729 0.001 . 1 . . . . . . . . 4816 1 210 . 1 1 21 21 C C1' C 13 92.081 0.000 . 1 . . . . . . . . 4816 1 211 . 1 1 21 21 C H41 H 1 7.020 0.001 . 1 . . . . . . . . 4816 1 212 . 1 1 21 21 C H42 H 1 8.513 0.004 . 1 . . . . . . . . 4816 1 213 . 1 1 22 22 U H1' H 1 5.665 0.000 . 1 . . . . . . . . 4816 1 214 . 1 1 22 22 U H2' H 1 4.484 0.000 . 1 . . . . . . . . 4816 1 215 . 1 1 22 22 U H3' H 1 4.603 0.000 . 1 . . . . . . . . 4816 1 216 . 1 1 22 22 U H4' H 1 4.114 0.001 . 1 . . . . . . . . 4816 1 217 . 1 1 22 22 U H5 H 1 5.524 0.000 . 1 . . . . . . . . 4816 1 218 . 1 1 22 22 U H6 H 1 7.816 0.001 . 1 . . . . . . . . 4816 1 219 . 1 1 22 22 U C1' C 13 92.247 0.000 . 1 . . . . . . . . 4816 1 220 . 1 1 22 22 U C4' C 13 81.898 0.000 . 1 . . . . . . . . 4816 1 221 . 1 1 23 23 G N1 N 15 150.516 0.000 . 1 . . . . . . . . 4816 1 222 . 1 1 23 23 G P P 31 -3.802 0.000 . 1 . . . . . . . . 4816 1 223 . 1 1 23 23 G H1' H 1 5.566 0.002 . 1 . . . . . . . . 4816 1 224 . 1 1 23 23 G H2' H 1 4.637 0.000 . 1 . . . . . . . . 4816 1 225 . 1 1 23 23 G H3' H 1 4.071 0.000 . 1 . . . . . . . . 4816 1 226 . 1 1 23 23 G H8 H 1 7.725 0.000 . 1 . . . . . . . . 4816 1 227 . 1 1 23 23 G H1 H 1 12.681 0.000 . 1 . . . . . . . . 4816 1 228 . 1 1 24 24 C H1' H 1 5.391 0.001 . 1 . . . . . . . . 4816 1 229 . 1 1 24 24 C H2' H 1 4.337 0.003 . 1 . . . . . . . . 4816 1 230 . 1 1 24 24 C H3' H 1 4.124 0.000 . 1 . . . . . . . . 4816 1 231 . 1 1 24 24 C H5 H 1 5.488 0.000 . 1 . . . . . . . . 4816 1 232 . 1 1 24 24 C H6 H 1 7.846 0.001 . 1 . . . . . . . . 4816 1 233 . 1 1 24 24 C C1' C 13 90.862 0.000 . 1 . . . . . . . . 4816 1 234 . 1 1 24 24 C H41 H 1 6.926 0.000 . 1 . . . . . . . . 4816 1 235 . 1 1 24 24 C H42 H 1 8.014 0.003 . 1 . . . . . . . . 4816 1 236 . 1 1 25 25 U N3 N 15 164.994 0.000 . 1 . . . . . . . . 4816 1 237 . 1 1 25 25 U H1' H 1 5.657 0.001 . 1 . . . . . . . . 4816 1 238 . 1 1 25 25 U H2' H 1 4.471 0.000 . 1 . . . . . . . . 4816 1 239 . 1 1 25 25 U H3' H 1 4.145 0.000 . 1 . . . . . . . . 4816 1 240 . 1 1 25 25 U H5 H 1 5.470 0.000 . 1 . . . . . . . . 4816 1 241 . 1 1 25 25 U H6 H 1 7.788 0.002 . 1 . . . . . . . . 4816 1 242 . 1 1 25 25 U C1' C 13 88.009 0.000 . 1 . . . . . . . . 4816 1 243 . 1 1 25 25 U H3 H 1 14.074 0.006 . 1 . . . . . . . . 4816 1 244 . 1 1 26 26 U N3 N 15 164.807 0.000 . 1 . . . . . . . . 4816 1 245 . 1 1 26 26 U H1' H 1 5.502 0.005 . 1 . . . . . . . . 4816 1 246 . 1 1 26 26 U H2' H 1 4.620 0.001 . 1 . . . . . . . . 4816 1 247 . 1 1 26 26 U H3' H 1 4.252 0.001 . 1 . . . . . . . . 4816 1 248 . 1 1 26 26 U H4' H 1 4.498 0.002 . 1 . . . . . . . . 4816 1 249 . 1 1 26 26 U H5 H 1 5.482 0.003 . 1 . . . . . . . . 4816 1 250 . 1 1 26 26 U H6 H 1 7.847 0.003 . 1 . . . . . . . . 4816 1 251 . 1 1 26 26 U C1' C 13 91.674 0.000 . 1 . . . . . . . . 4816 1 252 . 1 1 26 26 U H3 H 1 13.474 0.002 . 1 . . . . . . . . 4816 1 253 . 1 1 27 27 U N3 N 15 160.962 0.000 . 1 . . . . . . . . 4816 1 254 . 1 1 27 27 U P P 31 -4.192 0.000 . 1 . . . . . . . . 4816 1 255 . 1 1 27 27 U H1' H 1 5.419 0.001 . 1 . . . . . . . . 4816 1 256 . 1 1 27 27 U H2' H 1 4.091 0.002 . 1 . . . . . . . . 4816 1 257 . 1 1 27 27 U H3' H 1 4.572 0.002 . 1 . . . . . . . . 4816 1 258 . 1 1 27 27 U H4' H 1 4.422 0.001 . 1 . . . . . . . . 4816 1 259 . 1 1 27 27 U H5 H 1 5.714 0.001 . 1 . . . . . . . . 4816 1 260 . 1 1 27 27 U H6 H 1 7.941 0.001 . 1 . . . . . . . . 4816 1 261 . 1 1 27 27 U C1' C 13 91.807 0.000 . 1 . . . . . . . . 4816 1 262 . 1 1 27 27 U C4' C 13 84.155 0.000 . 1 . . . . . . . . 4816 1 263 . 1 1 27 27 U H3 H 1 11.676 0.004 . 1 . . . . . . . . 4816 1 264 . 1 1 28 28 U N3 N 15 165.283 0.000 . 1 . . . . . . . . 4816 1 265 . 1 1 28 28 U P P 31 -4.669 0.000 . 1 . . . . . . . . 4816 1 266 . 1 1 28 28 U H1' H 1 5.572 0.001 . 1 . . . . . . . . 4816 1 267 . 1 1 28 28 U H2' H 1 4.558 0.000 . 1 . . . . . . . . 4816 1 268 . 1 1 28 28 U H3' H 1 4.609 0.001 . 1 . . . . . . . . 4816 1 269 . 1 1 28 28 U H4' H 1 4.375 0.000 . 1 . . . . . . . . 4816 1 270 . 1 1 28 28 U H5 H 1 5.571 0.000 . 1 . . . . . . . . 4816 1 271 . 1 1 28 28 U H6 H 1 7.976 0.001 . 1 . . . . . . . . 4816 1 272 . 1 1 28 28 U C4' C 13 85.631 0.000 . 1 . . . . . . . . 4816 1 273 . 1 1 28 28 U H3 H 1 13.648 0.002 . 1 . . . . . . . . 4816 1 274 . 1 1 29 29 G N1 N 15 146.837 0.000 . 1 . . . . . . . . 4816 1 275 . 1 1 29 29 G P P 31 -3.979 0.000 . 1 . . . . . . . . 4816 1 276 . 1 1 29 29 G H1' H 1 5.765 0.001 . 1 . . . . . . . . 4816 1 277 . 1 1 29 29 G H2' H 1 4.630 0.001 . 1 . . . . . . . . 4816 1 278 . 1 1 29 29 G H3' H 1 4.292 0.001 . 1 . . . . . . . . 4816 1 279 . 1 1 29 29 G H4' H 1 4.505 0.000 . 1 . . . . . . . . 4816 1 280 . 1 1 29 29 G H5' H 1 4.376 0.000 . 4 . . . . . . . . 4816 1 281 . 1 1 29 29 G H5'' H 1 4.176 0.000 . 4 . . . . . . . . 4816 1 282 . 1 1 29 29 G H8 H 1 7.722 0.001 . 1 . . . . . . . . 4816 1 283 . 1 1 29 29 G C1' C 13 91.101 0.000 . 1 . . . . . . . . 4816 1 284 . 1 1 29 29 G C4' C 13 84.825 0.000 . 1 . . . . . . . . 4816 1 285 . 1 1 29 29 G H1 H 1 10.811 0.002 . 1 . . . . . . . . 4816 1 286 . 1 1 29 29 G H22 H 1 6.252 0.002 . 1 . . . . . . . . 4816 1 287 . 1 1 30 30 C N4 N 15 102.623 0.000 . 1 . . . . . . . . 4816 1 288 . 1 1 30 30 C P P 31 -4.499 0.000 . 1 . . . . . . . . 4816 1 289 . 1 1 30 30 C H1' H 1 5.456 0.001 . 1 . . . . . . . . 4816 1 290 . 1 1 30 30 C H2' H 1 4.156 0.001 . 1 . . . . . . . . 4816 1 291 . 1 1 30 30 C H3' H 1 4.425 0.001 . 1 . . . . . . . . 4816 1 292 . 1 1 30 30 C H4' H 1 4.357 0.003 . 1 . . . . . . . . 4816 1 293 . 1 1 30 30 C H5 H 1 5.290 0.001 . 1 . . . . . . . . 4816 1 294 . 1 1 30 30 C H5' H 1 4.034 0.004 . 4 . . . . . . . . 4816 1 295 . 1 1 30 30 C H6 H 1 7.601 0.001 . 1 . . . . . . . . 4816 1 296 . 1 1 30 30 C C4' C 13 82.342 0.000 . 1 . . . . . . . . 4816 1 297 . 1 1 30 30 C H41 H 1 7.043 0.003 . 1 . . . . . . . . 4816 1 298 . 1 1 30 30 C H42 H 1 8.271 0.008 . 1 . . . . . . . . 4816 1 299 . 1 1 31 31 U P P 31 -4.218 0.000 . 1 . . . . . . . . 4816 1 300 . 1 1 31 31 U H1' H 1 5.820 0.000 . 1 . . . . . . . . 4816 1 301 . 1 1 31 31 U H2' H 1 4.069 0.001 . 1 . . . . . . . . 4816 1 302 . 1 1 31 31 U H3' H 1 4.204 0.001 . 1 . . . . . . . . 4816 1 303 . 1 1 31 31 U H4' H 1 4.172 0.000 . 1 . . . . . . . . 4816 1 304 . 1 1 31 31 U H5 H 1 5.429 0.001 . 1 . . . . . . . . 4816 1 305 . 1 1 31 31 U H5' H 1 4.018 0.002 . 4 . . . . . . . . 4816 1 306 . 1 1 31 31 U H6 H 1 7.748 0.001 . 1 . . . . . . . . 4816 1 307 . 1 1 31 31 U C1' C 13 89.771 0.000 . 1 . . . . . . . . 4816 1 308 . 1 1 31 31 U C4' C 13 83.548 0.000 . 1 . . . . . . . . 4816 1 stop_ save_