################################### # 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 16609 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_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 '2D 1H-1H NOESY' . . . 16609 1 3 '2D 1H-15N HSQC' . . . 16609 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 16609 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 G H1 H 1 12.763 0.020 . 1 . . . . 1 G H1 . 16609 1 2 . 1 1 1 1 G N1 N 15 147.998 0.400 . 1 . . . . 1 G N1 . 16609 1 3 . 1 1 2 2 G H1 H 1 11.523 0.020 . 1 . . . . 2 G H1 . 16609 1 4 . 1 1 2 2 G H21 H 1 6.089 0.020 . 2 . . . . 2 G H21 . 16609 1 5 . 1 1 2 2 G H22 H 1 6.089 0.020 . 2 . . . . 2 G H22 . 16609 1 6 . 1 1 2 2 G N1 N 15 145.381 0.400 . 1 . . . . 2 G N1 . 16609 1 7 . 1 1 2 2 G N2 N 15 72.956 0.400 . 1 . . . . 2 G N2 . 16609 1 8 . 1 1 3 3 C H41 H 1 8.051 0.020 . 2 . . . . 3 C H41 . 16609 1 9 . 1 1 3 3 C H42 H 1 6.837 0.020 . 2 . . . . 3 C H42 . 16609 1 10 . 1 1 3 3 C N4 N 15 98.738 0.400 . 1 . . . . 3 C N4 . 16609 1 11 . 1 1 4 4 U H3 H 1 13.744 0.020 . 1 . . . . 4 U H3 . 16609 1 12 . 1 1 4 4 U N3 N 15 161.678 0.400 . 1 . . . . 4 U N3 . 16609 1 13 . 1 1 5 5 G H1 H 1 12.274 0.020 . 1 . . . . 5 G H1 . 16609 1 14 . 1 1 5 5 G H21 H 1 6.996 0.020 . 2 . . . . 5 G H21 . 16609 1 15 . 1 1 5 5 G H22 H 1 5.053 0.020 . 2 . . . . 5 G H22 . 16609 1 16 . 1 1 5 5 G N1 N 15 147.055 0.400 . 1 . . . . 5 G N1 . 16609 1 17 . 1 1 6 6 C H41 H 1 7.193 0.020 . 2 . . . . 6 C H41 . 16609 1 18 . 1 1 6 6 C H42 H 1 7.193 0.020 . 2 . . . . 6 C H42 . 16609 1 19 . 1 1 6 6 C N4 N 15 95.055 0.400 . 1 . . . . 6 C N4 . 16609 1 20 . 1 1 9 9 G H1 H 1 13.559 0.020 . 1 . . . . 9 G H1 . 16609 1 21 . 1 1 9 9 G N1 N 15 148.417 0.400 . 1 . . . . 9 G N1 . 16609 1 22 . 1 1 10 10 U H3 H 1 11.326 0.020 . 1 . . . . 10 U H3 . 16609 1 23 . 1 1 10 10 U N3 N 15 158.776 0.400 . 1 . . . . 10 U N3 . 16609 1 24 . 1 1 11 11 C H41 H 1 7.515 0.020 . 2 . . . . 11 C H41 . 16609 1 25 . 1 1 11 11 C H42 H 1 7.049 0.020 . 2 . . . . 11 C H42 . 16609 1 26 . 1 1 11 11 C N4 N 15 104.167 0.400 . 1 . . . . 11 C N4 . 16609 1 27 . 1 1 12 12 C H41 H 1 7.861 0.020 . 2 . . . . 12 C H41 . 16609 1 28 . 1 1 12 12 C H42 H 1 6.237 0.020 . 2 . . . . 12 C H42 . 16609 1 29 . 1 1 12 12 C N4 N 15 97.029 0.400 . 1 . . . . 12 C N4 . 16609 1 30 . 1 1 13 13 U H3 H 1 11.716 0.020 . 1 . . . . 13 U H3 . 16609 1 31 . 1 1 13 13 U N3 N 15 157.568 0.400 . 1 . . . . 13 U N3 . 16609 1 32 . 1 1 14 14 U H3 H 1 10.766 0.020 . 1 . . . . 14 U H3 . 16609 1 33 . 1 1 14 14 U HO2' H 1 8.801 0.020 . 1 . . . . 14 U HO2' . 16609 1 34 . 1 1 14 14 U N3 N 15 158.703 0.400 . 1 . . . . 14 U N3 . 16609 1 35 . 1 1 16 16 A H61 H 1 6.543 0.020 . 2 . . . . 16 A H61 . 16609 1 36 . 1 1 16 16 A H62 H 1 6.543 0.020 . 2 . . . . 16 A H62 . 16609 1 37 . 1 1 16 16 A HO2' H 1 7.749 0.020 . 1 . . . . 16 A HO2' . 16609 1 38 . 1 1 16 16 A N6 N 15 80.740 0.400 . 1 . . . . 16 A N6 . 16609 1 39 . 1 1 18 18 U H3 H 1 9.851 0.020 . 1 . . . . 18 U H3 . 16609 1 40 . 1 1 18 18 U N3 N 15 154.363 0.400 . 1 . . . . 18 U N3 . 16609 1 41 . 1 1 19 19 G H1 H 1 12.894 0.020 . 1 . . . . 19 G H1 . 16609 1 42 . 1 1 19 19 G H21 H 1 8.839 0.020 . 2 . . . . 19 G H21 . 16609 1 43 . 1 1 19 19 G H22 H 1 6.404 0.020 . 2 . . . . 19 G H22 . 16609 1 44 . 1 1 19 19 G N1 N 15 147.959 0.400 . 1 . . . . 19 G N1 . 16609 1 45 . 1 1 19 19 G N2 N 15 77.007 0.400 . 1 . . . . 19 G N2 . 16609 1 46 . 1 1 20 20 G H1 H 1 12.820 0.020 . 1 . . . . 20 G H1 . 16609 1 47 . 1 1 20 20 G H21 H 1 7.927 0.020 . 2 . . . . 20 G H21 . 16609 1 48 . 1 1 20 20 G H22 H 1 5.707 0.020 . 2 . . . . 20 G H22 . 16609 1 49 . 1 1 20 20 G N1 N 15 149.521 0.400 . 1 . . . . 20 G N1 . 16609 1 50 . 1 1 20 20 G N2 N 15 74.279 0.400 . 1 . . . . 20 G N2 . 16609 1 51 . 1 1 21 21 U N3 N 15 155.312 0.400 . 1 . . . . 21 U N3 . 16609 1 52 . 1 1 22 22 C H41 H 1 8.274 0.020 . 2 . . . . 22 C H41 . 16609 1 53 . 1 1 22 22 C H42 H 1 7.823 0.020 . 2 . . . . 22 C H42 . 16609 1 54 . 1 1 22 22 C N4 N 15 104.247 0.400 . 1 . . . . 22 C N4 . 16609 1 55 . 1 1 23 23 C H41 H 1 8.217 0.020 . 2 . . . . 23 C H41 . 16609 1 56 . 1 1 23 23 C H42 H 1 7.280 0.020 . 2 . . . . 23 C H42 . 16609 1 57 . 1 1 23 23 C N4 N 15 102.228 0.400 . 1 . . . . 23 C N4 . 16609 1 58 . 1 1 24 24 A H61 H 1 7.632 0.020 . 2 . . . . 24 A H61 . 16609 1 59 . 1 1 24 24 A H62 H 1 6.231 0.020 . 2 . . . . 24 A H62 . 16609 1 60 . 1 1 25 25 G H1 H 1 13.556 0.020 . 1 . . . . 25 G H1 . 16609 1 61 . 1 1 25 25 G H21 H 1 8.131 0.020 . 2 . . . . 25 G H21 . 16609 1 62 . 1 1 25 25 G H22 H 1 6.037 0.020 . 2 . . . . 25 G H22 . 16609 1 63 . 1 1 25 25 G N1 N 15 148.451 0.400 . 1 . . . . 25 G N1 . 16609 1 64 . 1 1 25 25 G N2 N 15 74.320 0.400 . 1 . . . . 25 G N2 . 16609 1 65 . 1 1 26 26 U H3 H 1 12.048 0.020 . 1 . . . . 26 U H3 . 16609 1 66 . 1 1 26 26 U N3 N 15 159.005 0.400 . 1 . . . . 26 U N3 . 16609 1 67 . 1 1 27 27 C H41 H 1 8.453 0.020 . 2 . . . . 27 C H41 . 16609 1 68 . 1 1 27 27 C H42 H 1 6.845 0.020 . 2 . . . . 27 C H42 . 16609 1 69 . 1 1 27 27 C N4 N 15 98.846 0.400 . 1 . . . . 27 C N4 . 16609 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_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 16609 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $condition_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err 0.09 _Assigned_chem_shift_list.Chem_shift_13C_err 0.22 _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 10 '2D 1H-13C HSQC' . . . 16609 2 11 '3D HCCH-COSY' . . . 16609 2 12 '3D HCCH-TOCSY' . . . 16609 2 13 '3D 1H-13C NOESY-HSQC' . . . 16609 2 14 '3D 1H-13C NOESY-HMQC' . . . 16609 2 15 '2D 1H-31P' . . . 16609 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 1 1 G H1' H 1 5.895 0.02 . . . . . . 1 G H1' . 16609 2 2 . 1 1 1 1 G H2' H 1 4.897 0.02 . . . . . . 1 G H2' . 16609 2 3 . 1 1 1 1 G H3' H 1 4.700 0.02 . . . . . . 1 G H3' . 16609 2 4 . 1 1 1 1 G H4' H 1 4.61 0.02 . . . . . . 1 G H4' . 16609 2 5 . 1 1 1 1 G H5' H 1 4.347 0.02 . . . . . . 1 G H5' . 16609 2 6 . 1 1 1 1 G H5'' H 1 4.524 0.02 . . . . . . 1 G H5'' . 16609 2 7 . 1 1 1 1 G H8 H 1 8.264 0.02 . . . . . . 1 G H8 . 16609 2 8 . 1 1 1 1 G C1' C 13 92.054 0.4 . . . . . . 1 G C1' . 16609 2 9 . 1 1 1 1 G C2' C 13 75.171 0.4 . . . . . . 1 G C2' . 16609 2 10 . 1 1 1 1 G C3' C 13 74.021 0.4 . . . . . . 1 G C3' . 16609 2 11 . 1 1 1 1 G C4' C 13 83.13 0.4 . . . . . . 1 G C4' . 16609 2 12 . 1 1 1 1 G C5' C 13 63.901 0.4 . . . . . . 1 G C5' . 16609 2 13 . 1 1 1 1 G C8 C 13 139.42 0.4 . . . . . . 1 G C8 . 16609 2 14 . 1 1 1 1 G N9 N 15 175 0 . . . . . . 1 G N9 . 16609 2 15 . 1 1 2 2 G H1' H 1 5.987 0.02 . . . . . . 2 G H1' . 16609 2 16 . 1 1 2 2 G H2' H 1 4.822 0.02 . . . . . . 2 G H2' . 16609 2 17 . 1 1 2 2 G H3' H 1 4.55 0.02 . . . . . . 2 G H3' . 16609 2 18 . 1 1 2 2 G H4' H 1 4.606 0.02 . . . . . . 2 G H4' . 16609 2 19 . 1 1 2 2 G H5' H 1 4.293 0.02 . . . . . . 2 G H5' . 16609 2 20 . 1 1 2 2 G H8 H 1 7.626 0.02 . . . . . . 2 G H8 . 16609 2 21 . 1 1 2 2 G C1' C 13 93.118 0.4 . . . . . . 2 G C1' . 16609 2 22 . 1 1 2 2 G C2' C 13 75.004 0.4 . . . . . . 2 G C2' . 16609 2 23 . 1 1 2 2 G C3' C 13 72.712 0.4 . . . . . . 2 G C3' . 16609 2 24 . 1 1 2 2 G C4' C 13 82.242 0.4 . . . . . . 2 G C4' . 16609 2 25 . 1 1 2 2 G C5' C 13 66.421 0.4 . . . . . . 2 G C5' . 16609 2 26 . 1 1 2 2 G C8 C 13 137.233 0.4 . . . . . . 2 G C8 . 16609 2 27 . 1 1 2 2 G N9 N 15 175.5 0 . . . . . . 2 G N9 . 16609 2 28 . 1 1 3 3 C H1' H 1 5.594 0.02 . . . . . . 3 C H1' . 16609 2 29 . 1 1 3 3 C H2' H 1 4.383 0.02 . . . . . . 3 C H2' . 16609 2 30 . 1 1 3 3 C H3' H 1 4.572 0.02 . . . . . . 3 C H3' . 16609 2 31 . 1 1 3 3 C H4' H 1 4.511 0.02 . . . . . . 3 C H4' . 16609 2 32 . 1 1 3 3 C H5 H 1 5.547 0.02 . . . . . . 3 C H5 . 16609 2 33 . 1 1 3 3 C H5' H 1 4.151 0.02 . . . . . . 3 C H5' . 16609 2 34 . 1 1 3 3 C H5'' H 1 4.611 0.02 . . . . . . 3 C H5'' . 16609 2 35 . 1 1 3 3 C H6 H 1 7.824 0.02 . . . . . . 3 C H6 . 16609 2 36 . 1 1 3 3 C C1' C 13 94.027 0.4 . . . . . . 3 C C1' . 16609 2 37 . 1 1 3 3 C C2' C 13 75.39 0.4 . . . . . . 3 C C2' . 16609 2 38 . 1 1 3 3 C C3' C 13 71.894 0.4 . . . . . . 3 C C3' . 16609 2 39 . 1 1 3 3 C C4' C 13 81.811 0.4 . . . . . . 3 C C4' . 16609 2 40 . 1 1 3 3 C C5 C 13 97.306 0.4 . . . . . . 3 C C5 . 16609 2 41 . 1 1 3 3 C C5' C 13 65.671 0.4 . . . . . . 3 C C5' . 16609 2 42 . 1 1 3 3 C C6 C 13 140.901 0.4 . . . . . . 3 C C6 . 16609 2 43 . 1 1 3 3 C N1 N 15 168 0 . . . . . . 3 C N1 . 16609 2 44 . 1 1 4 4 U H1' H 1 5.557 0.02 . . . . . . 4 U H1' . 16609 2 45 . 1 1 4 4 U H2' H 1 4.269 0.02 . . . . . . 4 U H2' . 16609 2 46 . 1 1 4 4 U H3' H 1 4.683 0.02 . . . . . . 4 U H3' . 16609 2 47 . 1 1 4 4 U H4' H 1 4.455 0.02 . . . . . . 4 U H4' . 16609 2 48 . 1 1 4 4 U H5 H 1 5.553 0.02 . . . . . . 4 U H5 . 16609 2 49 . 1 1 4 4 U H5' H 1 4.171 0.02 . . . . . . 4 U H5' . 16609 2 50 . 1 1 4 4 U H5'' H 1 4.651 0.02 . . . . . . 4 U H5'' . 16609 2 51 . 1 1 4 4 U H6 H 1 7.975 0.02 . . . . . . 4 U H6 . 16609 2 52 . 1 1 4 4 U C1' C 13 94.245 0.4 . . . . . . 4 U C1' . 16609 2 53 . 1 1 4 4 U C2' C 13 74.976 0.4 . . . . . . 4 U C2' . 16609 2 54 . 1 1 4 4 U C3' C 13 71.879 0.4 . . . . . . 4 U C3' . 16609 2 55 . 1 1 4 4 U C4' C 13 82.156 0.4 . . . . . . 4 U C4' . 16609 2 56 . 1 1 4 4 U C5 C 13 102.623 0.4 . . . . . . 4 U C5 . 16609 2 57 . 1 1 4 4 U C5' C 13 63.991 0.4 . . . . . . 4 U C5' . 16609 2 58 . 1 1 4 4 U C6 C 13 142.371 0.4 . . . . . . 4 U C6 . 16609 2 59 . 1 1 4 4 U N1 N 15 165.7 0 . . . . . . 4 U N1 . 16609 2 60 . 1 1 5 5 G H1' H 1 5.863 0.02 . . . . . . 5 G H1' . 16609 2 61 . 1 1 5 5 G H2' H 1 5.024 0.02 . . . . . . 5 G H2' . 16609 2 62 . 1 1 5 5 G H3' H 1 4.587 0.02 . . . . . . 5 G H3' . 16609 2 63 . 1 1 5 5 G H4' H 1 4.768 0.02 . . . . . . 5 G H4' . 16609 2 64 . 1 1 5 5 G H5' H 1 4.233 0.02 . . . . . . 5 G H5' . 16609 2 65 . 1 1 5 5 G H5'' H 1 4.610 0.02 . . . . . . 5 G H5'' . 16609 2 66 . 1 1 5 5 G H8 H 1 8.19 0.02 . . . . . . 5 G H8 . 16609 2 67 . 1 1 5 5 G C1' C 13 88.656 0.4 . . . . . . 5 G C1' . 16609 2 68 . 1 1 5 5 G C2' C 13 78.288 0.4 . . . . . . 5 G C2' . 16609 2 69 . 1 1 5 5 G C3' C 13 77.536 0.4 . . . . . . 5 G C3' . 16609 2 70 . 1 1 5 5 G C4' C 13 87.105 0.4 . . . . . . 5 G C4' . 16609 2 71 . 1 1 5 5 G C5' C 13 67.681 0.4 . . . . . . 5 G C5' . 16609 2 72 . 1 1 5 5 G C8 C 13 138.591 0.4 . . . . . . 5 G C8 . 16609 2 73 . 1 1 5 5 G N9 N 15 174.5 0 . . . . . . 5 G N9 . 16609 2 74 . 1 1 6 6 C H1' H 1 5.834 0.02 . . . . . . 6 C H1' . 16609 2 75 . 1 1 6 6 C H2' H 1 4.307 0.02 . . . . . . 6 C H2' . 16609 2 76 . 1 1 6 6 C H3' H 1 4.823 0.02 . . . . . . 6 C H3' . 16609 2 77 . 1 1 6 6 C H4' H 1 4.68 0.02 . . . . . . 6 C H4' . 16609 2 78 . 1 1 6 6 C H5 H 1 6.043 0.02 . . . . . . 6 C H5 . 16609 2 79 . 1 1 6 6 C H5' H 1 4.287 0.02 . . . . . . 6 C H5' . 16609 2 80 . 1 1 6 6 C H5'' H 1 4.737 0.02 . . . . . . 6 C H5'' . 16609 2 81 . 1 1 6 6 C H6 H 1 7.712 0.02 . . . . . . 6 C H6 . 16609 2 82 . 1 1 6 6 C C1' C 13 89.636 0.4 . . . . . . 6 C C1' . 16609 2 83 . 1 1 6 6 C C2' C 13 76.642 0.4 . . . . . . 6 C C2' . 16609 2 84 . 1 1 6 6 C C3' C 13 77.433 0.4 . . . . . . 6 C C3' . 16609 2 85 . 1 1 6 6 C C4' C 13 85.18 0.4 . . . . . . 6 C C4' . 16609 2 86 . 1 1 6 6 C C5 C 13 99.157 0.4 . . . . . . 6 C C5 . 16609 2 87 . 1 1 6 6 C C5' C 13 68.6151 0.4 . . . . . . 6 C C5' . 16609 2 88 . 1 1 6 6 C C6 C 13 142.503 0.4 . . . . . . 6 C C6 . 16609 2 89 . 1 1 6 6 C N1 N 15 167 0 . . . . . . 6 C N1 . 16609 2 90 . 1 1 6 6 C P P 31 -0.356 0 . . . . . . 6 C P . 16609 2 91 . 1 1 7 7 U H1' H 1 6.15 0.02 . . . . . . 7 U H1' . 16609 2 92 . 1 1 7 7 U H2' H 1 4.476 0.02 . . . . . . 7 U H2' . 16609 2 93 . 1 1 7 7 U H3' H 1 4.733 0.02 . . . . . . 7 U H3' . 16609 2 94 . 1 1 7 7 U H4' H 1 4.656 0.02 . . . . . . 7 U H4' . 16609 2 95 . 1 1 7 7 U H5 H 1 6.045 0.02 . . . . . . 7 U H5 . 16609 2 96 . 1 1 7 7 U H5' H 1 4.256 0.02 . . . . . . 7 U H5' . 16609 2 97 . 1 1 7 7 U H5'' H 1 4.311 0.02 . . . . . . 7 U H5'' . 16609 2 98 . 1 1 7 7 U H6 H 1 7.963 0.02 . . . . . . 7 U H6 . 16609 2 99 . 1 1 7 7 U C1' C 13 89.859 0.4 . . . . . . 7 U C1' . 16609 2 100 . 1 1 7 7 U C2' C 13 75.473 0.4 . . . . . . 7 U C2' . 16609 2 101 . 1 1 7 7 U C3' C 13 77.047 0.4 . . . . . . 7 U C3' . 16609 2 102 . 1 1 7 7 U C4' C 13 85.569 0.4 . . . . . . 7 U C4' . 16609 2 103 . 1 1 7 7 U C5 C 13 105.806 0.4 . . . . . . 7 U C5 . 16609 2 104 . 1 1 7 7 U C5' C 13 68.041 0.4 . . . . . . 7 U C5' . 16609 2 105 . 1 1 7 7 U C6 C 13 144.073 0.4 . . . . . . 7 U C6 . 16609 2 106 . 1 1 7 7 U N1 N 15 164.8 0 . . . . . . 7 U N1 . 16609 2 107 . 1 1 7 7 U P P 31 -0.361 0.02 . . . . . . 7 U P . 16609 2 108 . 1 1 8 8 U H1' H 1 6.22 0.02 . . . . . . 8 U H1' . 16609 2 109 . 1 1 8 8 U H2' H 1 4.608 0.02 . . . . . . 8 U H2' . 16609 2 110 . 1 1 8 8 U H3' H 1 4.572 0.02 . . . . . . 8 U H3' . 16609 2 111 . 1 1 8 8 U H4' H 1 4.566 0.02 . . . . . . 8 U H4' . 16609 2 112 . 1 1 8 8 U H5 H 1 5.961 0.02 . . . . . . 8 U H5 . 16609 2 113 . 1 1 8 8 U H5' H 1 4.371 0.02 . . . . . . 8 U H5' . 16609 2 114 . 1 1 8 8 U H5'' H 1 4.393 0.02 . . . . . . 8 U H5'' . 16609 2 115 . 1 1 8 8 U H6 H 1 7.871 0.02 . . . . . . 8 U H6 . 16609 2 116 . 1 1 8 8 U C1' C 13 93.806 0.4 . . . . . . 8 U C1' . 16609 2 117 . 1 1 8 8 U C2' C 13 75.883 0.4 . . . . . . 8 U C2' . 16609 2 118 . 1 1 8 8 U C3' C 13 75.831 0.4 . . . . . . 8 U C3' . 16609 2 119 . 1 1 8 8 U C4' C 13 84.078 0.4 . . . . . . 8 U C4' . 16609 2 120 . 1 1 8 8 U C5 C 13 104.796 0.4 . . . . . . 8 U C5 . 16609 2 121 . 1 1 8 8 U C5' C 13 68.771 0.4 . . . . . . 8 U C5' . 16609 2 122 . 1 1 8 8 U C6 C 13 144.206 0.4 . . . . . . 8 U C6 . 16609 2 123 . 1 1 8 8 U N1 N 15 165.8 0 . . . . . . 8 U N1 . 16609 2 124 . 1 1 8 8 U P P 31 -0.494 0.02 . . . . . . 8 U P . 16609 2 125 . 1 1 9 9 G H1' H 1 5.791 0.02 . . . . . . 9 G H1' . 16609 2 126 . 1 1 9 9 G H2' H 1 4.906 0.02 . . . . . . 9 G H2' . 16609 2 127 . 1 1 9 9 G H3' H 1 4.506 0.02 . . . . . . 9 G H3' . 16609 2 128 . 1 1 9 9 G H5' H 1 4.158 0.02 . . . . . . 9 G H5' . 16609 2 129 . 1 1 9 9 G H5'' H 1 4.642 0.02 . . . . . . 9 G H5'' . 16609 2 130 . 1 1 9 9 G H8 H 1 8.273 0.02 . . . . . . 9 G H8 . 16609 2 131 . 1 1 9 9 G C1' C 13 94.38 0.4 . . . . . . 9 G C1' . 16609 2 132 . 1 1 9 9 G C2' C 13 74.305 0.4 . . . . . . 9 G C2' . 16609 2 133 . 1 1 9 9 G C3' C 13 72.413 0.4 . . . . . . 9 G C3' . 16609 2 134 . 1 1 9 9 G C5' C 13 63.761 0.4 . . . . . . 9 G C5' . 16609 2 135 . 1 1 9 9 G C8 C 13 138.505 0.4 . . . . . . 9 G C8 . 16609 2 136 . 1 1 9 9 G N9 N 15 174.5 0 . . . . . . 9 G N9 . 16609 2 137 . 1 1 9 9 G P P 31 -3.22 0.02 . . . . . . 9 G P . 16609 2 138 . 1 1 10 10 U H1' H 1 5.641 0.02 . . . . . . 10 U H1' . 16609 2 139 . 1 1 10 10 U H2' H 1 3.754 0.02 . . . . . . 10 U H2' . 16609 2 140 . 1 1 10 10 U H3' H 1 4.591 0.02 . . . . . . 10 U H3' . 16609 2 141 . 1 1 10 10 U H4' H 1 4.401 0.02 . . . . . . 10 U H4' . 16609 2 142 . 1 1 10 10 U H5 H 1 5.292 0.02 . . . . . . 10 U H5 . 16609 2 143 . 1 1 10 10 U H5' H 1 4.143 0.02 . . . . . . 10 U H5' . 16609 2 144 . 1 1 10 10 U H5'' H 1 4.488 0.02 . . . . . . 10 U H5'' . 16609 2 145 . 1 1 10 10 U H6 H 1 8.039 0.02 . . . . . . 10 U H6 . 16609 2 146 . 1 1 10 10 U C1' C 13 94.173 0.4 . . . . . . 10 U C1' . 16609 2 147 . 1 1 10 10 U C2' C 13 75.433 0.4 . . . . . . 10 U C2' . 16609 2 148 . 1 1 10 10 U C3' C 13 72.133 0.4 . . . . . . 10 U C3' . 16609 2 149 . 1 1 10 10 U C4' C 13 82.995 0.4 . . . . . . 10 U C4' . 16609 2 150 . 1 1 10 10 U C5 C 13 102.083 0.4 . . . . . . 10 U C5 . 16609 2 151 . 1 1 10 10 U C5' C 13 64.091 0.4 . . . . . . 10 U C5' . 16609 2 152 . 1 1 10 10 U C6 C 13 143.476 0.4 . . . . . . 10 U C6 . 16609 2 153 . 1 1 10 10 U N1 N 15 166.9 0 . . . . . . 10 U N1 . 16609 2 154 . 1 1 11 11 C H1' H 1 5.694 0.02 . . . . . . 11 C H1' . 16609 2 155 . 1 1 11 11 C H2' H 1 4.513 0.02 . . . . . . 11 C H2' . 16609 2 156 . 1 1 11 11 C H3' H 1 4.686 0.02 . . . . . . 11 C H3' . 16609 2 157 . 1 1 11 11 C H4' H 1 4.422 0.02 . . . . . . 11 C H4' . 16609 2 158 . 1 1 11 11 C H5 H 1 5.913 0.02 . . . . . . 11 C H5 . 16609 2 159 . 1 1 11 11 C H5' H 1 4.064 0.02 . . . . . . 11 C H5' . 16609 2 160 . 1 1 11 11 C H5'' H 1 4.349 0.02 . . . . . . 11 C H5'' . 16609 2 161 . 1 1 11 11 C H6 H 1 7.763 0.02 . . . . . . 11 C H6 . 16609 2 162 . 1 1 11 11 C C1' C 13 90.741 0.4 . . . . . . 11 C C1' . 16609 2 163 . 1 1 11 11 C C2' C 13 74.024 0.4 . . . . . . 11 C C2' . 16609 2 164 . 1 1 11 11 C C3' C 13 76.291 0.4 . . . . . . 11 C C3' . 16609 2 165 . 1 1 11 11 C C4' C 13 83.926 0.4 . . . . . . 11 C C4' . 16609 2 166 . 1 1 11 11 C C5 C 13 98.919 0.4 . . . . . . 11 C C5 . 16609 2 167 . 1 1 11 11 C C5' C 13 66.331 0.4 . . . . . . 11 C C5' . 16609 2 168 . 1 1 11 11 C C6 C 13 143.136 0.4 . . . . . . 11 C C6 . 16609 2 169 . 1 1 11 11 C N1 N 15 166.5 0 . . . . . . 11 C N1 . 16609 2 170 . 1 1 12 12 C H1' H 1 5.649 0.02 . . . . . . 12 C H1' . 16609 2 171 . 1 1 12 12 C H2' H 1 4.476 0.02 . . . . . . 12 C H2' . 16609 2 172 . 1 1 12 12 C H3' H 1 4.101 0.02 . . . . . . 12 C H3' . 16609 2 173 . 1 1 12 12 C H5 H 1 5.203 0.02 . . . . . . 12 C H5 . 16609 2 174 . 1 1 12 12 C H5' H 1 4.286 0.02 . . . . . . 12 C H5' . 16609 2 175 . 1 1 12 12 C H5'' H 1 4.471 0.02 . . . . . . 12 C H5'' . 16609 2 176 . 1 1 12 12 C H6 H 1 7.758 0.02 . . . . . . 12 C H6 . 16609 2 177 . 1 1 12 12 C C1' C 13 94.275 0.4 . . . . . . 12 C C1' . 16609 2 178 . 1 1 12 12 C C2' C 13 75.59 0.4 . . . . . . 12 C C2' . 16609 2 179 . 1 1 12 12 C C3' C 13 73.019 0.4 . . . . . . 12 C C3' . 16609 2 180 . 1 1 12 12 C C5 C 13 97.722 0.4 . . . . . . 12 C C5 . 16609 2 181 . 1 1 12 12 C C5' C 13 67.441 0.4 . . . . . . 12 C C5' . 16609 2 182 . 1 1 12 12 C C6 C 13 142.404 0.4 . . . . . . 12 C C6 . 16609 2 183 . 1 1 12 12 C N1 N 15 168.2 0 . . . . . . 12 C N1 . 16609 2 184 . 1 1 13 13 U H1' H 1 5.739 0.02 . . . . . . 13 U H1' . 16609 2 185 . 1 1 13 13 U H2' H 1 4.265 0.02 . . . . . . 13 U H2' . 16609 2 186 . 1 1 13 13 U H3' H 1 4.481 0.02 . . . . . . 13 U H3' . 16609 2 187 . 1 1 13 13 U H4' H 1 4.416 0.02 . . . . . . 13 U H4' . 16609 2 188 . 1 1 13 13 U H5 H 1 5.55 0.02 . . . . . . 13 U H5 . 16609 2 189 . 1 1 13 13 U H5' H 1 4.106 0.02 . . . . . . 13 U H5' . 16609 2 190 . 1 1 13 13 U H5'' H 1 4.474 0.02 . . . . . . 13 U H5'' . 16609 2 191 . 1 1 13 13 U H6 H 1 7.981 0.02 . . . . . . 13 U H6 . 16609 2 192 . 1 1 13 13 U C1' C 13 93.184 0.4 . . . . . . 13 U C1' . 16609 2 193 . 1 1 13 13 U C2' C 13 75.574 0.4 . . . . . . 13 U C2' . 16609 2 194 . 1 1 13 13 U C3' C 13 71.353 0.4 . . . . . . 13 U C3' . 16609 2 195 . 1 1 13 13 U C4' C 13 82.0152 0.4 . . . . . . 13 U C4' . 16609 2 196 . 1 1 13 13 U C5 C 13 104.909 0.4 . . . . . . 13 U C5 . 16609 2 197 . 1 1 13 13 U C5' C 13 63.901 0.4 . . . . . . 13 U C5' . 16609 2 198 . 1 1 13 13 U C6 C 13 140.381 0.4 . . . . . . 13 U C6 . 16609 2 199 . 1 1 13 13 U N1 N 15 165.7 0 . . . . . . 13 U N1 . 16609 2 200 . 1 1 14 14 U H1' H 1 5.414 0.02 . . . . . . 14 U H1' . 16609 2 201 . 1 1 14 14 U H2' H 1 4.88 0.02 . . . . . . 14 U H2' . 16609 2 202 . 1 1 14 14 U H3' H 1 4.447 0.02 . . . . . . 14 U H3' . 16609 2 203 . 1 1 14 14 U H4' H 1 4.29 0.02 . . . . . . 14 U H4' . 16609 2 204 . 1 1 14 14 U H5 H 1 5.348 0.02 . . . . . . 14 U H5 . 16609 2 205 . 1 1 14 14 U H5' H 1 4.037 0.02 . . . . . . 14 U H5' . 16609 2 206 . 1 1 14 14 U H5'' H 1 4.508 0.02 . . . . . . 14 U H5'' . 16609 2 207 . 1 1 14 14 U H6 H 1 7.507 0.02 . . . . . . 14 U H6 . 16609 2 208 . 1 1 14 14 U C1' C 13 94.498 0.4 . . . . . . 14 U C1' . 16609 2 209 . 1 1 14 14 U C2' C 13 74.192 0.4 . . . . . . 14 U C2' . 16609 2 210 . 1 1 14 14 U C3' C 13 71.983 0.4 . . . . . . 14 U C3' . 16609 2 211 . 1 1 14 14 U C4' C 13 81.691 0.4 . . . . . . 14 U C4' . 16609 2 212 . 1 1 14 14 U C5 C 13 103.074 0.4 . . . . . . 14 U C5 . 16609 2 213 . 1 1 14 14 U C5' C 13 64.401 0.4 . . . . . . 14 U C5' . 16609 2 214 . 1 1 14 14 U C6 C 13 141.54 0.4 . . . . . . 14 U C6 . 16609 2 215 . 1 1 14 14 U N1 N 15 166.5 0 . . . . . . 14 U N1 . 16609 2 216 . 1 1 15 15 U H1' H 1 5.371 0.02 . . . . . . 15 U H1' . 16609 2 217 . 1 1 15 15 U H2' H 1 4.043 0.02 . . . . . . 15 U H2' . 16609 2 218 . 1 1 15 15 U H3' H 1 4.294 0.02 . . . . . . 15 U H3' . 16609 2 219 . 1 1 15 15 U H4' H 1 4.184 0.02 . . . . . . 15 U H4' . 16609 2 220 . 1 1 15 15 U H5 H 1 5.749 0.02 . . . . . . 15 U H5 . 16609 2 221 . 1 1 15 15 U H5' H 1 3.992 0.02 . . . . . . 15 U H5' . 16609 2 222 . 1 1 15 15 U H5'' H 1 4.255 0.02 . . . . . . 15 U H5'' . 16609 2 223 . 1 1 15 15 U H6 H 1 7.698 0.02 . . . . . . 15 U H6 . 16609 2 224 . 1 1 15 15 U C1' C 13 94.612 0.4 . . . . . . 15 U C1' . 16609 2 225 . 1 1 15 15 U C2' C 13 75.604 0.4 . . . . . . 15 U C2' . 16609 2 226 . 1 1 15 15 U C3' C 13 71.196 0.4 . . . . . . 15 U C3' . 16609 2 227 . 1 1 15 15 U C4' C 13 82.472 0.4 . . . . . . 15 U C4' . 16609 2 228 . 1 1 15 15 U C5 C 13 104.081 0.4 . . . . . . 15 U C5 . 16609 2 229 . 1 1 15 15 U C5' C 13 63.271 0.4 . . . . . . 15 U C5' . 16609 2 230 . 1 1 15 15 U C6 C 13 143.001 0.4 . . . . . . 15 U C6 . 16609 2 231 . 1 1 15 15 U N1 N 15 165.9 0 . . . . . . 15 U N1 . 16609 2 232 . 1 1 15 15 U P P 31 1.577 0.02 . . . . . . 15 U P . 16609 2 233 . 1 1 16 16 A H1' H 1 6.329 0.02 . . . . . . 16 A H1' . 16609 2 234 . 1 1 16 16 A H2 H 1 8.389 0.02 . . . . . . 16 A H2 . 16609 2 235 . 1 1 16 16 A H2' H 1 4.065 0.02 . . . . . . 16 A H2' . 16609 2 236 . 1 1 16 16 A H3' H 1 5.17 0.02 . . . . . . 16 A H3' . 16609 2 237 . 1 1 16 16 A H4' H 1 4.271 0.02 . . . . . . 16 A H4' . 16609 2 238 . 1 1 16 16 A H5' H 1 4.041 0.02 . . . . . . 16 A H5' . 16609 2 239 . 1 1 16 16 A H5'' H 1 4.275 0.02 . . . . . . 16 A H5'' . 16609 2 240 . 1 1 16 16 A H8 H 1 8.288 0.02 . . . . . . 16 A H8 . 16609 2 241 . 1 1 16 16 A C1' C 13 92.855 0.4 . . . . . . 16 A C1' . 16609 2 242 . 1 1 16 16 A C2 C 13 144.349 0.4 . . . . . . 16 A C2 . 16609 2 243 . 1 1 16 16 A C2' C 13 76.883 0.4 . . . . . . 16 A C2' . 16609 2 244 . 1 1 16 16 A C3' C 13 72.009 0.4 . . . . . . 16 A C3' . 16609 2 245 . 1 1 16 16 A C4' C 13 83.195 0.4 . . . . . . 16 A C4' . 16609 2 246 . 1 1 16 16 A C5' C 13 63.921 0.4 . . . . . . 16 A C5' . 16609 2 247 . 1 1 16 16 A C8 C 13 142.935 0.4 . . . . . . 16 A C8 . 16609 2 248 . 1 1 16 16 A N9 N 15 174.6 0 . . . . . . 16 A N9 . 16609 2 249 . 1 1 16 16 A P P 31 0.294 0.02 . . . . . . 16 A P . 16609 2 250 . 1 1 17 17 A H1' H 1 6.327 0.02 . . . . . . 17 A H1' . 16609 2 251 . 1 1 17 17 A H2 H 1 8.245 0.02 . . . . . . 17 A H2 . 16609 2 252 . 1 1 17 17 A H2' H 1 5.356 0.02 . . . . . . 17 A H2' . 16609 2 253 . 1 1 17 17 A H3' H 1 5.257 0.02 . . . . . . 17 A H3' . 16609 2 254 . 1 1 17 17 A H4' H 1 4.372 0.02 . . . . . . 17 A H4' . 16609 2 255 . 1 1 17 17 A H5' H 1 4.140 0.02 . . . . . . 17 A H5' . 16609 2 256 . 1 1 17 17 A H5'' H 1 4.106 0.02 . . . . . . 17 A H5'' . 16609 2 257 . 1 1 17 17 A H8 H 1 8.592 0.02 . . . . . . 17 A H8 . 16609 2 258 . 1 1 17 17 A C1' C 13 87.513 0.4 . . . . . . 17 A C1' . 16609 2 259 . 1 1 17 17 A C2 C 13 145.068 0.4 . . . . . . 17 A C2 . 16609 2 260 . 1 1 17 17 A C2' C 13 73.122 0.4 . . . . . . 17 A C2' . 16609 2 261 . 1 1 17 17 A C3' C 13 80.137 0.4 . . . . . . 17 A C3' . 16609 2 262 . 1 1 17 17 A C4' C 13 84.746 0.4 . . . . . . 17 A C4' . 16609 2 263 . 1 1 17 17 A C5' C 13 66.501 0.4 . . . . . . 17 A C5' . 16609 2 264 . 1 1 17 17 A C8 C 13 142.361 0.4 . . . . . . 17 A C8 . 16609 2 265 . 1 1 17 17 A N9 N 15 176.8 0 . . . . . . 17 A N9 . 16609 2 266 . 1 1 17 17 A P P 31 -2.783 0.02 . . . . . . 17 A P . 16609 2 267 . 1 1 18 18 U H1' H 1 4.588 0.02 . . . . . . 18 U H1' . 16609 2 268 . 1 1 18 18 U H2' H 1 4.314 0.02 . . . . . . 18 U H2' . 16609 2 269 . 1 1 18 18 U H3' H 1 4.209 0.02 . . . . . . 18 U H3' . 16609 2 270 . 1 1 18 18 U H4' H 1 3.31 0.02 . . . . . . 18 U H4' . 16609 2 271 . 1 1 18 18 U H5 H 1 5.944 0.02 . . . . . . 18 U H5 . 16609 2 272 . 1 1 18 18 U H5' H 1 4.065 0.02 . . . . . . 18 U H5' . 16609 2 273 . 1 1 18 18 U H6 H 1 7.243 0.02 . . . . . . 18 U H6 . 16609 2 274 . 1 1 18 18 U C1' C 13 93.029 0.4 . . . . . . 18 U C1' . 16609 2 275 . 1 1 18 18 U C2' C 13 74.684 0.4 . . . . . . 18 U C2' . 16609 2 276 . 1 1 18 18 U C3' C 13 71.389 0.4 . . . . . . 18 U C3' . 16609 2 277 . 1 1 18 18 U C4' C 13 81.58 0.4 . . . . . . 18 U C4' . 16609 2 278 . 1 1 18 18 U C5 C 13 106.699 0.4 . . . . . . 18 U C5 . 16609 2 279 . 1 1 18 18 U C5' C 13 63.511 0.4 . . . . . . 18 U C5' . 16609 2 280 . 1 1 18 18 U C6 C 13 142.655 0.4 . . . . . . 18 U C6 . 16609 2 281 . 1 1 18 18 U N1 N 15 165.7 0 . . . . . . 18 U N1 . 16609 2 282 . 1 1 18 18 U P P 31 1.301 0.02 . . . . . . 18 U P . 16609 2 283 . 1 1 19 19 G H1' H 1 5.935 0.02 . . . . . . 19 G H1' . 16609 2 284 . 1 1 19 19 G H2' H 1 4.92 0.02 . . . . . . 19 G H2' . 16609 2 285 . 1 1 19 19 G H3' H 1 4.762 0.02 . . . . . . 19 G H3' . 16609 2 286 . 1 1 19 19 G H4' H 1 4.417 0.02 . . . . . . 19 G H4' . 16609 2 287 . 1 1 19 19 G H5' H 1 4.131 0.02 . . . . . . 19 G H5' . 16609 2 288 . 1 1 19 19 G H5'' H 1 4.466 0.02 . . . . . . 19 G H5'' . 16609 2 289 . 1 1 19 19 G H8 H 1 7.57 0.02 . . . . . . 19 G H8 . 16609 2 290 . 1 1 19 19 G C1' C 13 91.641 0.4 . . . . . . 19 G C1' . 16609 2 291 . 1 1 19 19 G C2' C 13 76.131 0.4 . . . . . . 19 G C2' . 16609 2 292 . 1 1 19 19 G C3' C 13 72.113 0.4 . . . . . . 19 G C3' . 16609 2 293 . 1 1 19 19 G C4' C 13 81.201 0.4 . . . . . . 19 G C4' . 16609 2 294 . 1 1 19 19 G C5' C 13 63.991 0.4 . . . . . . 19 G C5' . 16609 2 295 . 1 1 19 19 G C8 C 13 136.697 0.4 . . . . . . 19 G C8 . 16609 2 296 . 1 1 19 19 G N9 N 15 176.4 0 . . . . . . 19 G N9 . 16609 2 297 . 1 1 19 19 G P P 31 -0.016 0.02 . . . . . . 19 G P . 16609 2 298 . 1 1 20 20 G H1' H 1 5.392 0.02 . . . . . . 20 G H1' . 16609 2 299 . 1 1 20 20 G H2' H 1 4.424 0.02 . . . . . . 20 G H2' . 16609 2 300 . 1 1 20 20 G H3' H 1 4.098 0.02 . . . . . . 20 G H3' . 16609 2 301 . 1 1 20 20 G H4' H 1 4.583 0.02 . . . . . . 20 G H4' . 16609 2 302 . 1 1 20 20 G H5' H 1 4.111 0.02 . . . . . . 20 G H5' . 16609 2 303 . 1 1 20 20 G H5'' H 1 4.273 0.02 . . . . . . 20 G H5'' . 16609 2 304 . 1 1 20 20 G H8 H 1 7.18 0.02 . . . . . . 20 G H8 . 16609 2 305 . 1 1 20 20 G C1' C 13 93.196 0.4 . . . . . . 20 G C1' . 16609 2 306 . 1 1 20 20 G C2' C 13 75.375 0.4 . . . . . . 20 G C2' . 16609 2 307 . 1 1 20 20 G C3' C 13 74.172 0.4 . . . . . . 20 G C3' . 16609 2 308 . 1 1 20 20 G C4' C 13 82.727 0.4 . . . . . . 20 G C4' . 16609 2 309 . 1 1 20 20 G C5' C 13 69.171 0.4 . . . . . . 20 G C5' . 16609 2 310 . 1 1 20 20 G C8 C 13 137.342 0.4 . . . . . . 20 G C8 . 16609 2 311 . 1 1 20 20 G N9 N 15 174.7 0 . . . . . . 20 G N9 . 16609 2 312 . 1 1 21 21 U H1' H 1 5.618 0.02 . . . . . . 21 U H1' . 16609 2 313 . 1 1 21 21 U H2' H 1 4.693 0.02 . . . . . . 21 U H2' . 16609 2 314 . 1 1 21 21 U H3' H 1 4.36 0.02 . . . . . . 21 U H3' . 16609 2 315 . 1 1 21 21 U H4' H 1 4.458 0.02 . . . . . . 21 U H4' . 16609 2 316 . 1 1 21 21 U H5 H 1 5.291 0.02 . . . . . . 21 U H5 . 16609 2 317 . 1 1 21 21 U H5' H 1 4.156 0.02 . . . . . . 21 U H5' . 16609 2 318 . 1 1 21 21 U H5'' H 1 4.689 0.02 . . . . . . 21 U H5'' . 16609 2 319 . 1 1 21 21 U H6 H 1 7.641 0.02 . . . . . . 21 U H6 . 16609 2 320 . 1 1 21 21 U C1' C 13 93.821 0.4 . . . . . . 21 U C1' . 16609 2 321 . 1 1 21 21 U C2' C 13 74.961 0.4 . . . . . . 21 U C2' . 16609 2 322 . 1 1 21 21 U C3' C 13 71.739 0.4 . . . . . . 21 U C3' . 16609 2 323 . 1 1 21 21 U C4' C 13 82.27 0.4 . . . . . . 21 U C4' . 16609 2 324 . 1 1 21 21 U C5 C 13 101.716 0.4 . . . . . . 21 U C5 . 16609 2 325 . 1 1 21 21 U C5' C 13 63.851 0.4 . . . . . . 21 U C5' . 16609 2 326 . 1 1 21 21 U C6 C 13 143.344 0.4 . . . . . . 21 U C6 . 16609 2 327 . 1 1 21 21 U N1 N 15 167.2 0 . . . . . . 21 U N1 . 16609 2 328 . 1 1 22 22 C H1' H 1 5.562 0.02 . . . . . . 22 C H1' . 16609 2 329 . 1 1 22 22 C H2' H 1 4.551 0.02 . . . . . . 22 C H2' . 16609 2 330 . 1 1 22 22 C H3' H 1 4.473 0.02 . . . . . . 22 C H3' . 16609 2 331 . 1 1 22 22 C H4' H 1 4.446 0.02 . . . . . . 22 C H4' . 16609 2 332 . 1 1 22 22 C H5 H 1 5.925 0.02 . . . . . . 22 C H5 . 16609 2 333 . 1 1 22 22 C H5' H 1 4.181 0.02 . . . . . . 22 C H5' . 16609 2 334 . 1 1 22 22 C H5'' H 1 4.541 0.02 . . . . . . 22 C H5'' . 16609 2 335 . 1 1 22 22 C H6 H 1 8.115 0.02 . . . . . . 22 C H6 . 16609 2 336 . 1 1 22 22 C C1' C 13 93.398 0.4 . . . . . . 22 C C1' . 16609 2 337 . 1 1 22 22 C C2' C 13 75.599 0.4 . . . . . . 22 C C2' . 16609 2 338 . 1 1 22 22 C C3' C 13 71.80 0.4 . . . . . . 22 C C3' . 16609 2 339 . 1 1 22 22 C C4' C 13 81.957 0.4 . . . . . . 22 C C4' . 16609 2 340 . 1 1 22 22 C C5 C 13 98.799 0.4 . . . . . . 22 C C5 . 16609 2 341 . 1 1 22 22 C C5' C 13 64.021 0.4 . . . . . . 22 C C5' . 16609 2 342 . 1 1 22 22 C C6 C 13 141.144 0.4 . . . . . . 22 C C6 . 16609 2 343 . 1 1 22 22 C N1 N 15 168.2 0 . . . . . . 22 C N1 . 16609 2 344 . 1 1 23 23 C H1' H 1 5.516 0.02 . . . . . . 23 C H1' . 16609 2 345 . 1 1 23 23 C H2' H 1 4.289 0.02 . . . . . . 23 C H2' . 16609 2 346 . 1 1 23 23 C H3' H 1 4.684 0.02 . . . . . . 23 C H3' . 16609 2 347 . 1 1 23 23 C H4' H 1 4.4 0.02 . . . . . . 23 C H4' . 16609 2 348 . 1 1 23 23 C H5 H 1 5.778 0.02 . . . . . . 23 C H5 . 16609 2 349 . 1 1 23 23 C H5' H 1 4.599 0.02 . . . . . . 23 C H5' . 16609 2 350 . 1 1 23 23 C H5'' H 1 4.161 0.02 . . . . . . 23 C H5'' . 16609 2 351 . 1 1 23 23 C H6 H 1 8.081 0.02 . . . . . . 23 C H6 . 16609 2 352 . 1 1 23 23 C C1' C 13 93.439 0.4 . . . . . . 23 C C1' . 16609 2 353 . 1 1 23 23 C C2' C 13 74.976 0.4 . . . . . . 23 C C2' . 16609 2 354 . 1 1 23 23 C C3' C 13 71.854 0.4 . . . . . . 23 C C3' . 16609 2 355 . 1 1 23 23 C C4' C 13 81.759 0.4 . . . . . . 23 C C4' . 16609 2 356 . 1 1 23 23 C C5 C 13 98.963 0.4 . . . . . . 23 C C5 . 16609 2 357 . 1 1 23 23 C C5' C 13 63.861 0.4 . . . . . . 23 C C5' . 16609 2 358 . 1 1 23 23 C C6 C 13 140.452 0.4 . . . . . . 23 C C6 . 16609 2 359 . 1 1 23 23 C N1 N 15 167.4 0 . . . . . . 23 C N1 . 16609 2 360 . 1 1 24 24 A H1' H 1 5.906 0.02 . . . . . . 24 A H1' . 16609 2 361 . 1 1 24 24 A H2 H 1 7.289 0.02 . . . . . . 24 A H2 . 16609 2 362 . 1 1 24 24 A H2' H 1 4.698 0.02 . . . . . . 24 A H2' . 16609 2 363 . 1 1 24 24 A H3' H 1 4.83 0.02 . . . . . . 24 A H3' . 16609 2 364 . 1 1 24 24 A H4' H 1 4.487 0.02 . . . . . . 24 A H4' . 16609 2 365 . 1 1 24 24 A H5' H 1 4.201 0.02 . . . . . . 24 A H5' . 16609 2 366 . 1 1 24 24 A H5'' H 1 4.621 0.02 . . . . . . 24 A H5'' . 16609 2 367 . 1 1 24 24 A H8 H 1 8.231 0.02 . . . . . . 24 A H8 . 16609 2 368 . 1 1 24 24 A C1' C 13 92.048 0.4 . . . . . . 24 A C1' . 16609 2 369 . 1 1 24 24 A C2 C 13 141.271 0.4 . . . . . . 24 A C2 . 16609 2 370 . 1 1 24 24 A C2' C 13 75.699 0.4 . . . . . . 24 A C2' . 16609 2 371 . 1 1 24 24 A C3' C 13 71.932 0.4 . . . . . . 24 A C3' . 16609 2 372 . 1 1 24 24 A C4' C 13 81.504 0.4 . . . . . . 24 A C4' . 16609 2 373 . 1 1 24 24 A C5' C 13 64.371 0.4 . . . . . . 24 A C5' . 16609 2 374 . 1 1 24 24 A C8 C 13 139.641 0.4 . . . . . . 24 A C8 . 16609 2 375 . 1 1 24 24 A N9 N 15 176 0 . . . . . . 24 A N9 . 16609 2 376 . 1 1 25 25 G H1' H 1 5.469 0.02 . . . . . . 25 G H1' . 16609 2 377 . 1 1 25 25 G H2' H 1 4.501 0.02 . . . . . . 25 G H2' . 16609 2 378 . 1 1 25 25 G H3' H 1 4.278 0.02 . . . . . . 25 G H3' . 16609 2 379 . 1 1 25 25 G H4' H 1 4.442 0.02 . . . . . . 25 G H4' . 16609 2 380 . 1 1 25 25 G H5' H 1 4.080 0.02 . . . . . . 25 G H5' . 16609 2 381 . 1 1 25 25 G H5'' H 1 4.451 0.02 . . . . . . 25 G H5'' . 16609 2 382 . 1 1 25 25 G H8 H 1 7.129 0.02 . . . . . . 25 G H8 . 16609 2 383 . 1 1 25 25 G C1' C 13 92.601 0.4 . . . . . . 25 G C1' . 16609 2 384 . 1 1 25 25 G C2' C 13 75.181 0.4 . . . . . . 25 G C2' . 16609 2 385 . 1 1 25 25 G C3' C 13 72.663 0.4 . . . . . . 25 G C3' . 16609 2 386 . 1 1 25 25 G C4' C 13 81.875 0.4 . . . . . . 25 G C4' . 16609 2 387 . 1 1 25 25 G C5' C 13 65.481 0.4 . . . . . . 25 G C5' . 16609 2 388 . 1 1 25 25 G C8 C 13 135.304 0.4 . . . . . . 25 G C8 . 16609 2 389 . 1 1 25 25 G N9 N 15 175.2 0 . . . . . . 25 G N9 . 16609 2 390 . 1 1 26 26 U H1' H 1 5.486 0.02 . . . . . . 26 U H1' . 16609 2 391 . 1 1 26 26 U H2' H 1 4.092 0.02 . . . . . . 26 U H2' . 16609 2 392 . 1 1 26 26 U H3' H 1 4.515 0.02 . . . . . . 26 U H3' . 16609 2 393 . 1 1 26 26 U H4' H 1 4.374 0.02 . . . . . . 26 U H4' . 16609 2 394 . 1 1 26 26 U H5 H 1 5.401 0.02 . . . . . . 26 U H5 . 16609 2 395 . 1 1 26 26 U H5' H 1 4.060 0.02 . . . . . . 26 U H5' . 16609 2 396 . 1 1 26 26 U H5'' H 1 4.481 0.02 . . . . . . 26 U H5'' . 16609 2 397 . 1 1 26 26 U H6 H 1 7.731 0.02 . . . . . . 26 U H6 . 16609 2 398 . 1 1 26 26 U C1' C 13 94.178 0.4 . . . . . . 26 U C1' . 16609 2 399 . 1 1 26 26 U C2' C 13 75.707 0.4 . . . . . . 26 U C2' . 16609 2 400 . 1 1 26 26 U C3' C 13 71.986 0.4 . . . . . . 26 U C3' . 16609 2 401 . 1 1 26 26 U C4' C 13 81.473 0.4 . . . . . . 26 U C4' . 16609 2 402 . 1 1 26 26 U C5 C 13 103.677 0.4 . . . . . . 26 U C5 . 16609 2 403 . 1 1 26 26 U C5' C 13 63.981 0.4 . . . . . . 26 U C5' . 16609 2 404 . 1 1 26 26 U C6 C 13 140.602 0.4 . . . . . . 26 U C6 . 16609 2 405 . 1 1 26 26 U N1 N 15 165.5 0 . . . . . . 26 U N1 . 16609 2 406 . 1 1 27 27 C H1' H 1 6.245 0.02 . . . . . . 27 C H1' . 16609 2 407 . 1 1 27 27 C H2' H 1 4.714 0.02 . . . . . . 27 C H2' . 16609 2 408 . 1 1 27 27 C H3' H 1 5.041 0.02 . . . . . . 27 C H3' . 16609 2 409 . 1 1 27 27 C H4' H 1 4.405 0.02 . . . . . . 27 C H4' . 16609 2 410 . 1 1 27 27 C H5 H 1 5.718 0.02 . . . . . . 27 C H5 . 16609 2 411 . 1 1 27 27 C H5' H 1 4.590 0.02 . . . . . . 27 C H5' . 16609 2 412 . 1 1 27 27 C H5'' H 1 4.125 0.02 . . . . . . 27 C H5'' . 16609 2 413 . 1 1 27 27 C H6 H 1 7.581 0.02 . . . . . . 27 C H6 . 16609 2 414 . 1 1 27 27 C C1' C 13 91.485 0.4 . . . . . . 27 C C1' . 16609 2 415 . 1 1 27 27 C C2' C 13 84.791 0.4 . . . . . . 27 C C2' . 16609 2 416 . 1 1 27 27 C C3' C 13 77.892 0.4 . . . . . . 27 C C3' . 16609 2 417 . 1 1 27 27 C C4' C 13 85.218 0.4 . . . . . . 27 C C4' . 16609 2 418 . 1 1 27 27 C C5 C 13 98.943 0.4 . . . . . . 27 C C5 . 16609 2 419 . 1 1 27 27 C C5' C 13 65.631 0.4 . . . . . . 27 C C5' . 16609 2 420 . 1 1 27 27 C C6 C 13 143.17 0.4 . . . . . . 27 C C6 . 16609 2 421 . 1 1 27 27 C N1 N 15 167.7 0 . . . . . . 27 C N1 . 16609 2 stop_ save_