################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53244 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name '2D 1H-1H NOESY' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 53244 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 $software_1 . . 53244 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 5.84 . . 1 . . . . . 1 G H1' . 53244 1 2 . 1 . 1 1 1 G H2' H 1 4.96 . . 1 . . . . . 1 G H2' . 53244 1 3 . 1 . 1 1 1 G H8 H 1 8.23 . . 1 . . . . . 1 G H8 . 53244 1 4 . 1 . 1 2 2 G H1' H 1 5.92 . . 1 . . . . . 2 G H1' . 53244 1 5 . 1 . 1 2 2 G H2' H 1 4.96 . . 1 . . . . . 2 G H2' . 53244 1 6 . 1 . 1 2 2 G H8 H 1 7.63 . . 1 . . . . . 2 G H8 . 53244 1 7 . 1 . 1 3 3 A H1' H 1 5.98 . . 1 . . . . . 3 A H1' . 53244 1 8 . 1 . 1 3 3 A H2' H 1 4.48 . . 1 . . . . . 3 A H2' . 53244 1 9 . 1 . 1 3 3 A H8 H 1 7.80 . . 1 . . . . . 3 A H8 . 53244 1 10 . 1 . 1 4 4 G H1' H 1 5.57 . . 1 . . . . . 4 G H1' . 53244 1 11 . 1 . 1 4 4 G H2' H 1 4.68 . . 1 . . . . . 4 G H2' . 53244 1 12 . 1 . 1 4 4 G H8 H 1 7.13 . . 1 . . . . . 4 G H8 . 53244 1 13 . 1 . 1 5 5 A H1' H 1 5.94 . . 1 . . . . . 5 A H1' . 53244 1 14 . 1 . 1 5 5 A H2' H 1 4.50 . . 1 . . . . . 5 A H2' . 53244 1 15 . 1 . 1 5 5 A H8 H 1 7.81 . . 1 . . . . . 5 A H8 . 53244 1 16 . 1 . 1 6 6 C H1' H 1 5.33 . . 1 . . . . . 6 C H1' . 53244 1 17 . 1 . 1 6 6 C H2' H 1 4.33 . . 1 . . . . . 6 C H2' . 53244 1 18 . 1 . 1 6 6 C H6 H 1 7.37 . . 1 . . . . . 6 C H6 . 53244 1 19 . 1 . 1 7 7 A H1' H 1 5.96 . . 1 . . . . . 7 A H1' . 53244 1 20 . 1 . 1 7 7 A H2' H 1 4.45 . . 1 . . . . . 7 A H2' . 53244 1 21 . 1 . 1 7 7 A H8 H 1 7.91 . . 1 . . . . . 7 A H8 . 53244 1 22 . 1 . 1 8 8 U H1' H 1 5.45 . . 1 . . . . . 8 U H1' . 53244 1 23 . 1 . 1 8 8 U H2' H 1 4.15 . . 1 . . . . . 8 U H2' . 53244 1 24 . 1 . 1 8 8 U H6 H 1 7.42 . . 1 . . . . . 8 U H6 . 53244 1 25 . 1 . 1 9 9 A H1' H 1 5.90 . . 1 . . . . . 9 A H1' . 53244 1 26 . 1 . 1 9 9 A H2' H 1 4.64 . . 1 . . . . . 9 A H2' . 53244 1 27 . 1 . 1 9 9 A H8 H 1 8.17 . . 1 . . . . . 9 A H8 . 53244 1 28 . 1 . 1 10 10 U H1' H 1 5.57 . . 1 . . . . . 10 U H1' . 53244 1 29 . 1 . 1 10 10 U H2' H 1 4.25 . . 1 . . . . . 10 U H2' . 53244 1 30 . 1 . 1 10 10 U H6 H 1 7.60 . . 1 . . . . . 10 U H6 . 53244 1 31 . 1 . 1 11 11 A H1' H 1 5.96 . . 1 . . . . . 11 A H1' . 53244 1 32 . 1 . 1 11 11 A H2' H 1 4.68 . . 1 . . . . . 11 A H2' . 53244 1 33 . 1 . 1 11 11 A H8 H 1 8.27 . . 1 . . . . . 11 A H8 . 53244 1 34 . 1 . 1 12 12 U H1' H 1 5.56 . . 1 . . . . . 12 U H1' . 53244 1 35 . 1 . 1 12 12 U H2' H 1 4.32 . . 1 . . . . . 12 U H2' . 53244 1 36 . 1 . 1 12 12 U H6 H 1 7.67 . . 1 . . . . . 12 U H6 . 53244 1 37 . 1 . 1 13 13 C H1' H 1 5.56 . . 1 . . . . . 13 C H1' . 53244 1 38 . 1 . 1 13 13 C H2' H 1 4.68 . . 1 . . . . . 13 C H2' . 53244 1 39 . 1 . 1 13 13 C H6 H 1 7.53 . . 1 . . . . . 13 C H6 . 53244 1 40 . 1 . 1 14 14 A H1' H 1 5.84 . . 1 . . . . . 14 A H1' . 53244 1 41 . 1 . 1 14 14 A H2' H 1 4.29 . . 1 . . . . . 14 A H2' . 53244 1 42 . 1 . 1 14 14 A H8 H 1 8.24 . . 1 . . . . . 14 A H8 . 53244 1 43 . 1 . 1 15 15 C H1' H 1 5.74 . . 1 . . . . . 15 C H1' . 53244 1 44 . 1 . 1 15 15 C H2' H 1 4.31 . . 1 . . . . . 15 C H2' . 53244 1 45 . 1 . 1 15 15 C H6 H 1 7.73 . . 1 . . . . . 15 C H6 . 53244 1 46 . 1 . 1 16 16 A H1' H 1 5.84 . . 1 . . . . . 16 A H1' . 53244 1 47 . 1 . 1 16 16 A H2' H 1 4.66 . . 1 . . . . . 16 A H2' . 53244 1 48 . 1 . 1 16 16 A H8 H 1 8.12 . . 1 . . . . . 16 A H8 . 53244 1 49 . 1 . 1 17 17 G H1' H 1 5.68 . . 1 . . . . . 17 G H1' . 53244 1 50 . 1 . 1 17 17 G H2' H 1 4.37 . . 1 . . . . . 17 G H2' . 53244 1 51 . 1 . 1 17 17 G H8 H 1 7.69 . . 1 . . . . . 17 G H8 . 53244 1 52 . 1 . 1 18 18 C H1' H 1 5.81 . . 1 . . . . . 18 C H1' . 53244 1 53 . 1 . 1 18 18 C H2' H 1 4.32 . . 1 . . . . . 18 C H2' . 53244 1 54 . 1 . 1 18 18 C H6 H 1 7.83 . . 1 . . . . . 18 C H6 . 53244 1 55 . 1 . 1 19 19 C H1' H 1 5.55 . . 1 . . . . . 19 C H1' . 53244 1 56 . 1 . 1 19 19 C H2' H 1 4.59 . . 1 . . . . . 19 C H2' . 53244 1 57 . 1 . 1 19 19 C H6 H 1 7.70 . . 1 . . . . . 19 C H6 . 53244 1 58 . 1 . 1 20 20 U H1' H 1 5.64 . . 1 . . . . . 20 U H1' . 53244 1 59 . 1 . 1 20 20 U H2' H 1 4.63 . . 1 . . . . . 20 U H2' . 53244 1 60 . 1 . 1 20 20 U H6 H 1 7.92 . . 1 . . . . . 20 U H6 . 53244 1 61 . 1 . 1 21 21 G H1' H 1 5.88 . . 1 . . . . . 21 G H1' . 53244 1 62 . 1 . 1 21 21 G H2' H 1 4.55 . . 1 . . . . . 21 G H2' . 53244 1 63 . 1 . 1 21 21 G H8 H 1 7.90 . . 1 . . . . . 21 G H8 . 53244 1 64 . 1 . 1 22 22 U H1' H 1 5.58 . . 1 . . . . . 22 U H1' . 53244 1 65 . 1 . 1 22 22 U H2' H 1 4.48 . . 1 . . . . . 22 U H2' . 53244 1 66 . 1 . 1 22 22 U H6 H 1 7.92 . . 1 . . . . . 22 U H6 . 53244 1 67 . 1 . 1 23 23 C H1' H 1 5.61 . . 1 . . . . . 23 C H1' . 53244 1 68 . 1 . 1 23 23 C H2' H 1 4.32 . . 1 . . . . . 23 C H2' . 53244 1 69 . 1 . 1 23 23 C H6 H 1 7.95 . . 1 . . . . . 23 C H6 . 53244 1 70 . 1 . 1 24 24 U H1' H 1 5.51 . . 1 . . . . . 24 U H1' . 53244 1 71 . 1 . 1 24 24 U H2' H 1 4.34 . . 1 . . . . . 24 U H2' . 53244 1 72 . 1 . 1 24 24 U H6 H 1 7.97 . . 1 . . . . . 24 U H6 . 53244 1 73 . 1 . 1 25 25 C H1' H 1 5.56 . . 1 . . . . . 25 C H1' . 53244 1 74 . 1 . 1 25 25 C H2' H 1 4.20 . . 1 . . . . . 25 C H2' . 53244 1 75 . 1 . 1 25 25 C H6 H 1 7.93 . . 1 . . . . . 25 C H6 . 53244 1 76 . 1 . 1 26 26 C H1' H 1 5.70 . . 1 . . . . . 26 C H1' . 53244 1 77 . 1 . 1 26 26 C H2' H 1 3.97 . . 1 . . . . . 26 C H2' . 53244 1 78 . 1 . 1 26 26 C H6 H 1 7.68 . . 1 . . . . . 26 C H6 . 53244 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_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 53244 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'TOCSY,HMQC, HSQC' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 TOCSY . . . 53244 2 3 HMQC . . . 53244 2 4 HSQC . . . 53244 2 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 $software_1 . . 53244 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 12.78 . . 1 . . . . . 1 G H1 . 53244 2 2 . 1 . 1 1 1 G H1' H 1 5.84 . . 1 . . . . . 1 G H1' . 53244 2 3 . 1 . 1 1 1 G H2' H 1 4.96 . . 1 . . . . . 1 G H2' . 53244 2 4 . 1 . 1 1 1 G H8 H 1 8.23 . . 1 . . . . . 1 G H8 . 53244 2 5 . 1 . 1 1 1 G C1' C 13 93.07 . . 1 . . . . . 1 G C1' . 53244 2 6 . 1 . 1 1 1 G C8 C 13 140.05 . . 1 . . . . . 1 G C8 . 53244 2 7 . 1 . 1 1 1 G N1 N 15 147.71 . . 1 . . . . . 1 G N1 . 53244 2 8 . 1 . 1 2 2 G H1 H 1 12.63 . . 1 . . . . . 2 G H1 . 53244 2 9 . 1 . 1 2 2 G H1' H 1 5.92 . . 1 . . . . . 2 G H1' . 53244 2 10 . 1 . 1 2 2 G H2' H 1 4.97 . . 1 . . . . . 2 G H2' . 53244 2 11 . 1 . 1 2 2 G H8 H 1 7.63 . . 1 . . . . . 2 G H8 . 53244 2 12 . 1 . 1 2 2 G C1' C 13 93.11 . . 1 . . . . . 2 G C1' . 53244 2 13 . 1 . 1 2 2 G C8 C 13 137.29 . . 1 . . . . . 2 G C8 . 53244 2 14 . 1 . 1 2 2 G N1 N 15 146.95 . . 1 . . . . . 2 G N1 . 53244 2 15 . 1 . 1 3 3 A H1' H 1 5.98 . . 1 . . . . . 3 A H1' . 53244 2 16 . 1 . 1 3 3 A H2 H 1 7.45 . . 1 . . . . . 3 A H2 . 53244 2 17 . 1 . 1 3 3 A H2' H 1 4.48 . . 1 . . . . . 3 A H2' . 53244 2 18 . 1 . 1 3 3 A H8 H 1 7.80 . . 1 . . . . . 3 A H8 . 53244 2 19 . 1 . 1 3 3 A C1' C 13 93.07 . . 1 . . . . . 3 A C1' . 53244 2 20 . 1 . 1 3 3 A C2 C 13 153.67 . . 1 . . . . . 3 A C2 . 53244 2 21 . 1 . 1 3 3 A C8 C 13 139.43 . . 1 . . . . . 3 A C8 . 53244 2 22 . 1 . 1 4 4 G H1 H 1 12.57 . . 1 . . . . . 4 G H1 . 53244 2 23 . 1 . 1 4 4 G H1' H 1 5.57 . . 1 . . . . . 4 G H1' . 53244 2 24 . 1 . 1 4 4 G H2' H 1 4.68 . . 1 . . . . . 4 G H2' . 53244 2 25 . 1 . 1 4 4 G H8 H 1 7.13 . . 1 . . . . . 4 G H8 . 53244 2 26 . 1 . 1 4 4 G C1' C 13 92.83 . . 1 . . . . . 4 G C1' . 53244 2 27 . 1 . 1 4 4 G C8 C 13 136.03 . . 1 . . . . . 4 G C8 . 53244 2 28 . 1 . 1 4 4 G N1 N 15 146.84 . . 1 . . . . . 4 G N1 . 53244 2 29 . 1 . 1 5 5 A H1' H 1 5.94 . . 1 . . . . . 5 A H1' . 53244 2 30 . 1 . 1 5 5 A H2 H 1 7.77 . . 1 . . . . . 5 A H2 . 53244 2 31 . 1 . 1 5 5 A H2' H 1 4.50 . . 1 . . . . . 5 A H2' . 53244 2 32 . 1 . 1 5 5 A H8 H 1 7.81 . . 1 . . . . . 5 A H8 . 53244 2 33 . 1 . 1 5 5 A C1' C 13 92.87 . . 1 . . . . . 5 A C1' . 53244 2 34 . 1 . 1 5 5 A C2 C 13 153.80 . . 1 . . . . . 5 A C2 . 53244 2 35 . 1 . 1 5 5 A C8 C 13 139.46 . . 1 . . . . . 5 A C8 . 53244 2 36 . 1 . 1 6 6 C H1' H 1 5.33 . . 1 . . . . . 6 C H1' . 53244 2 37 . 1 . 1 6 6 C H2' H 1 4.33 . . 1 . . . . . 6 C H2' . 53244 2 38 . 1 . 1 6 6 C H5 H 1 5.19 . . 1 . . . . . 6 C H5 . 53244 2 39 . 1 . 1 6 6 C H6 H 1 7.38 . . 1 . . . . . 6 C H6 . 53244 2 40 . 1 . 1 6 6 C C1' C 13 93.68 . . 1 . . . . . 6 C C1' . 53244 2 41 . 1 . 1 6 6 C C5 C 13 93.37 . . 1 . . . . . 6 C C5 . 53244 2 42 . 1 . 1 6 6 C C6 C 13 138.83 . . 1 . . . . . 6 C C6 . 53244 2 43 . 1 . 1 7 7 A H1' H 1 5.96 . . 1 . . . . . 7 A H1' . 53244 2 44 . 1 . 1 7 7 A H2 H 1 7.39 . . 1 . . . . . 7 A H2 . 53244 2 45 . 1 . 1 7 7 A H2' H 1 4.45 . . 1 . . . . . 7 A H2' . 53244 2 46 . 1 . 1 7 7 A H8 H 1 7.91 . . 1 . . . . . 7 A H8 . 53244 2 47 . 1 . 1 7 7 A C1' C 13 90.96 . . 1 . . . . . 7 A C1' . 53244 2 48 . 1 . 1 7 7 A C2 C 13 153.68 . . 1 . . . . . 7 A C2 . 53244 2 49 . 1 . 1 7 7 A C8 C 13 139.83 . . 1 . . . . . 7 A C8 . 53244 2 50 . 1 . 1 8 8 U H1' H 1 5.45 . . 1 . . . . . 8 U H1' . 53244 2 51 . 1 . 1 8 8 U H2' H 1 4.15 . . 1 . . . . . 8 U H2' . 53244 2 52 . 1 . 1 8 8 U H5 H 1 5.21 . . 1 . . . . . 8 U H5 . 53244 2 53 . 1 . 1 8 8 U H6 H 1 7.42 . . 1 . . . . . 8 U H6 . 53244 2 54 . 1 . 1 8 8 U C1' C 13 92.19 . . 1 . . . . . 8 U C1' . 53244 2 55 . 1 . 1 8 8 U C5 C 13 104.13 . . 1 . . . . . 8 U C5 . 53244 2 56 . 1 . 1 8 8 U C6 C 13 141.50 . . 1 . . . . . 8 U C6 . 53244 2 57 . 1 . 1 9 9 A H1' H 1 5.90 . . 1 . . . . . 9 A H1' . 53244 2 58 . 1 . 1 9 9 A H2 H 1 7.92 . . 1 . . . . . 9 A H2 . 53244 2 59 . 1 . 1 9 9 A H2' H 1 4.64 . . 1 . . . . . 9 A H2' . 53244 2 60 . 1 . 1 9 9 A H8 H 1 8.17 . . 1 . . . . . 9 A H8 . 53244 2 61 . 1 . 1 9 9 A C1' C 13 91.32 . . 1 . . . . . 9 A C1' . 53244 2 62 . 1 . 1 9 9 A C2 C 13 154.81 . . 1 . . . . . 9 A C2 . 53244 2 63 . 1 . 1 9 9 A C8 C 13 141.63 . . 1 . . . . . 9 A C8 . 53244 2 64 . 1 . 1 10 10 U H1' H 1 5.58 . . 1 . . . . . 10 U H1' . 53244 2 65 . 1 . 1 10 10 U H2' H 1 4.25 . . 1 . . . . . 10 U H2' . 53244 2 66 . 1 . 1 10 10 U H5 H 1 5.52 . . 1 . . . . . 10 U H5 . 53244 2 67 . 1 . 1 10 10 U H6 H 1 7.59 . . 1 . . . . . 10 U H6 . 53244 2 68 . 1 . 1 10 10 U C1' C 13 93.00 . . 1 . . . . . 10 U C1' . 53244 2 69 . 1 . 1 10 10 U C5 C 13 104.98 . . 1 . . . . . 10 U C5 . 53244 2 70 . 1 . 1 10 10 U C6 C 13 142.45 . . 1 . . . . . 10 U C6 . 53244 2 71 . 1 . 1 11 11 A H1' H 1 5.96 . . 1 . . . . . 11 A H1' . 53244 2 72 . 1 . 1 11 11 A H2 H 1 7.90 . . 1 . . . . . 11 A H2 . 53244 2 73 . 1 . 1 11 11 A H2' H 1 4.68 . . 1 . . . . . 11 A H2' . 53244 2 74 . 1 . 1 11 11 A H8 H 1 8.27 . . 1 . . . . . 11 A H8 . 53244 2 75 . 1 . 1 11 11 A C1' C 13 92.84 . . 1 . . . . . 11 A C1' . 53244 2 76 . 1 . 1 11 11 A C2 C 13 154.31 . . 1 . . . . . 11 A C2 . 53244 2 77 . 1 . 1 11 11 A C8 C 13 141.95 . . 1 . . . . . 11 A C8 . 53244 2 78 . 1 . 1 12 12 U H1' H 1 5.56 . . 1 . . . . . 12 U H1' . 53244 2 79 . 1 . 1 12 12 U H2' H 1 4.32 . . 1 . . . . . 12 U H2' . 53244 2 80 . 1 . 1 12 12 U H5 H 1 5.48 . . 1 . . . . . 12 U H5 . 53244 2 81 . 1 . 1 12 12 U H6 H 1 7.68 . . 1 . . . . . 12 U H6 . 53244 2 82 . 1 . 1 12 12 U C1' C 13 93.88 . . 1 . . . . . 12 U C1' . 53244 2 83 . 1 . 1 12 12 U C5 C 13 104.96 . . 1 . . . . . 12 U C5 . 53244 2 84 . 1 . 1 12 12 U C6 C 13 142.86 . . 1 . . . . . 12 U C6 . 53244 2 85 . 1 . 1 13 13 C H1' H 1 5.92 . . 1 . . . . . 13 C H1' . 53244 2 86 . 1 . 1 13 13 C H2' H 1 4.68 . . 1 . . . . . 13 C H2' . 53244 2 87 . 1 . 1 13 13 C H5 H 1 5.50 . . 1 . . . . . 13 C H5 . 53244 2 88 . 1 . 1 13 13 C H6 H 1 7.53 . . 1 . . . . . 13 C H6 . 53244 2 89 . 1 . 1 13 13 C C5 C 13 97.96 . . 1 . . . . . 13 C C5 . 53244 2 90 . 1 . 1 13 13 C C6 C 13 141.64 . . 1 . . . . . 13 C C6 . 53244 2 91 . 1 . 1 14 14 A H1' H 1 5.84 . . 1 . . . . . 14 A H1' . 53244 2 92 . 1 . 1 14 14 A H2 H 1 8.03 . . 1 . . . . . 14 A H2 . 53244 2 93 . 1 . 1 14 14 A H2' H 1 4.29 . . 1 . . . . . 14 A H2' . 53244 2 94 . 1 . 1 14 14 A H8 H 1 8.24 . . 1 . . . . . 14 A H8 . 53244 2 95 . 1 . 1 14 14 A C1' C 13 91.68 . . 1 . . . . . 14 A C1' . 53244 2 96 . 1 . 1 14 14 A C2 C 13 155.02 . . 1 . . . . . 14 A C2 . 53244 2 97 . 1 . 1 14 14 A C8 C 13 141.59 . . 1 . . . . . 14 A C8 . 53244 2 98 . 1 . 1 15 15 C H1' H 1 5.75 . . 1 . . . . . 15 C H1' . 53244 2 99 . 1 . 1 15 15 C H2' H 1 4.31 . . 1 . . . . . 15 C H2' . 53244 2 100 . 1 . 1 15 15 C H5 H 1 5.84 . . 1 . . . . . 15 C H5 . 53244 2 101 . 1 . 1 15 15 C H6 H 1 7.74 . . 1 . . . . . 15 C H6 . 53244 2 102 . 1 . 1 15 15 C C1' C 13 91.11 . . 1 . . . . . 15 C C1' . 53244 2 103 . 1 . 1 15 15 C C5 C 13 98.54 . . 1 . . . . . 15 C C5 . 53244 2 104 . 1 . 1 15 15 C C6 C 13 143.01 . . 1 . . . . . 15 C C6 . 53244 2 105 . 1 . 1 16 16 A H1' H 1 5.84 . . 1 . . . . . 16 A H1' . 53244 2 106 . 1 . 1 16 16 A H2 H 1 7.97 . . 1 . . . . . 16 A H2 . 53244 2 107 . 1 . 1 16 16 A H2' H 1 4.66 . . 1 . . . . . 16 A H2' . 53244 2 108 . 1 . 1 16 16 A H8 H 1 8.12 . . 1 . . . . . 16 A H8 . 53244 2 109 . 1 . 1 16 16 A C1' C 13 91.81 . . 1 . . . . . 16 A C1' . 53244 2 110 . 1 . 1 16 16 A C2 C 13 154.98 . . 1 . . . . . 16 A C2 . 53244 2 111 . 1 . 1 16 16 A C8 C 13 141.19 . . 1 . . . . . 16 A C8 . 53244 2 112 . 1 . 1 17 17 G H1' H 1 5.50 . . 1 . . . . . 17 G H1' . 53244 2 113 . 1 . 1 17 17 G H2' H 1 4.58 . . 1 . . . . . 17 G H2' . 53244 2 114 . 1 . 1 17 17 G H8 H 1 7.70 . . 1 . . . . . 17 G H8 . 53244 2 115 . 1 . 1 17 17 G C1' C 13 91.33 . . 1 . . . . . 17 G C1' . 53244 2 116 . 1 . 1 17 17 G C8 C 13 138.53 . . 1 . . . . . 17 G C8 . 53244 2 117 . 1 . 1 18 18 C H1' H 1 5.68 . . 1 . . . . . 18 C H1' . 53244 2 118 . 1 . 1 18 18 C H2' H 1 4.35 . . 1 . . . . . 18 C H2' . 53244 2 119 . 1 . 1 18 18 C H5 H 1 5.59 . . 1 . . . . . 18 C H5 . 53244 2 120 . 1 . 1 18 18 C H6 H 1 7.70 . . 1 . . . . . 18 C H6 . 53244 2 121 . 1 . 1 18 18 C C1' C 13 92.52 . . 1 . . . . . 18 C C1' . 53244 2 122 . 1 . 1 18 18 C C5 C 13 98.02 . . 1 . . . . . 18 C C5 . 53244 2 123 . 1 . 1 18 18 C C6 C 13 141.58 . . 1 . . . . . 18 C C6 . 53244 2 124 . 1 . 1 19 19 C H1' H 1 5.81 . . 1 . . . . . 19 C H1' . 53244 2 125 . 1 . 1 19 19 C H2' H 1 4.39 . . 1 . . . . . 19 C H2' . 53244 2 126 . 1 . 1 19 19 C H5 H 1 5.80 . . 1 . . . . . 19 C H5 . 53244 2 127 . 1 . 1 19 19 C H6 H 1 7.83 . . 1 . . . . . 19 C H6 . 53244 2 128 . 1 . 1 19 19 C C5 C 13 98.44 . . 1 . . . . . 19 C C5 . 53244 2 129 . 1 . 1 19 19 C C6 C 13 141.67 . . 1 . . . . . 19 C C6 . 53244 2 130 . 1 . 1 20 20 U H1' H 1 5.65 . . 1 . . . . . 20 U H1' . 53244 2 131 . 1 . 1 20 20 U H2' H 1 4.54 . . 1 . . . . . 20 U H2' . 53244 2 132 . 1 . 1 20 20 U H3 H 1 13.87 . . 1 . . . . . 20 U H3 . 53244 2 133 . 1 . 1 20 20 U H5 H 1 5.75 . . 1 . . . . . 20 U H5 . 53244 2 134 . 1 . 1 20 20 U H6 H 1 7.90 . . 1 . . . . . 20 U H6 . 53244 2 135 . 1 . 1 20 20 U C1' C 13 91.56 . . 1 . . . . . 20 U C1' . 53244 2 136 . 1 . 1 20 20 U C5 C 13 104.88 . . 1 . . . . . 20 U C5 . 53244 2 137 . 1 . 1 20 20 U C6 C 13 142.40 . . 1 . . . . . 20 U C6 . 53244 2 138 . 1 . 1 20 20 U N3 N 15 162.76 . . 1 . . . . . 20 U N3 . 53244 2 139 . 1 . 1 21 21 G H1 H 1 14.40 . . 1 . . . . . 21 G H1 . 53244 2 140 . 1 . 1 21 21 G H1' H 1 5.88 . . 1 . . . . . 21 G H1' . 53244 2 141 . 1 . 1 21 21 G H2' H 1 4.63 . . 1 . . . . . 21 G H2' . 53244 2 142 . 1 . 1 21 21 G H8 H 1 7.90 . . 1 . . . . . 21 G H8 . 53244 2 143 . 1 . 1 21 21 G C1' C 13 93.12 . . 1 . . . . . 21 G C1' . 53244 2 144 . 1 . 1 21 21 G C8 C 13 137.39 . . 1 . . . . . 21 G C8 . 53244 2 145 . 1 . 1 21 21 G N1 N 15 146.92 . . 1 . . . . . 21 G N1 . 53244 2 146 . 1 . 1 22 22 U H1' H 1 5.57 . . 1 . . . . . 22 U H1' . 53244 2 147 . 1 . 1 22 22 U H2' H 1 4.48 . . 1 . . . . . 22 U H2' . 53244 2 148 . 1 . 1 22 22 U H3 H 1 13.91 . . 1 . . . . . 22 U H3 . 53244 2 149 . 1 . 1 22 22 U H5 H 1 5.15 . . 1 . . . . . 22 U H5 . 53244 2 150 . 1 . 1 22 22 U H6 H 1 7.90 . . 1 . . . . . 22 U H6 . 53244 2 151 . 1 . 1 22 22 U C1' C 13 93.79 . . 1 . . . . . 22 U C1' . 53244 2 152 . 1 . 1 22 22 U C5 C 13 102.71 . . 1 . . . . . 22 U C5 . 53244 2 153 . 1 . 1 22 22 U C6 C 13 142.34 . . 1 . . . . . 22 U C6 . 53244 2 154 . 1 . 1 22 22 U N3 N 15 162.19 . . 1 . . . . . 22 U N3 . 53244 2 155 . 1 . 1 23 23 C H1' H 1 5.59 . . 1 . . . . . 23 C H1' . 53244 2 156 . 1 . 1 23 23 C H2' H 1 4.50 . . 1 . . . . . 23 C H2' . 53244 2 157 . 1 . 1 23 23 C H5 H 1 5.69 . . 1 . . . . . 23 C H5 . 53244 2 158 . 1 . 1 23 23 C H6 H 1 7.94 . . 1 . . . . . 23 C H6 . 53244 2 159 . 1 . 1 23 23 C C1' C 13 93.88 . . 1 . . . . . 23 C C1' . 53244 2 160 . 1 . 1 23 23 C C5 C 13 96.70 . . 1 . . . . . 23 C C5 . 53244 2 161 . 1 . 1 23 23 C C6 C 13 141.48 . . 1 . . . . . 23 C C6 . 53244 2 162 . 1 . 1 24 24 U H1' H 1 5.51 . . 1 . . . . . 24 U H1' . 53244 2 163 . 1 . 1 24 24 U H2' H 1 4.33 . . 1 . . . . . 24 U H2' . 53244 2 164 . 1 . 1 24 24 U H3 H 1 14.27 . . 1 . . . . . 24 U H3 . 53244 2 165 . 1 . 1 24 24 U H5 H 1 5.43 . . 1 . . . . . 24 U H5 . 53244 2 166 . 1 . 1 24 24 U H6 H 1 7.97 . . 1 . . . . . 24 U H6 . 53244 2 167 . 1 . 1 24 24 U C1' C 13 91.56 . . 1 . . . . . 24 U C1' . 53244 2 168 . 1 . 1 24 24 U C5 C 13 103.50 . . 1 . . . . . 24 U C5 . 53244 2 169 . 1 . 1 24 24 U C6 C 13 142.25 . . 1 . . . . . 24 U C6 . 53244 2 170 . 1 . 1 24 24 U N3 N 15 162.40 . . 1 . . . . . 24 U N3 . 53244 2 171 . 1 . 1 25 25 C H1' H 1 5.56 . . 1 . . . . . 25 C H1' . 53244 2 172 . 1 . 1 25 25 C H2' H 1 4.20 . . 1 . . . . . 25 C H2' . 53244 2 173 . 1 . 1 25 25 C H5 H 1 5.68 . . 1 . . . . . 25 C H5 . 53244 2 174 . 1 . 1 25 25 C H6 H 1 7.94 . . 1 . . . . . 25 C H6 . 53244 2 175 . 1 . 1 25 25 C C1' C 13 92.59 . . 1 . . . . . 25 C C1' . 53244 2 176 . 1 . 1 25 25 C C5 C 13 97.99 . . 1 . . . . . 25 C C5 . 53244 2 177 . 1 . 1 25 25 C C6 C 13 141.47 . . 1 . . . . . 25 C C6 . 53244 2 178 . 1 . 1 26 26 C H1' H 1 5.70 . . 1 . . . . . 26 C H1' . 53244 2 179 . 1 . 1 26 26 C H2' H 1 3.97 . . 1 . . . . . 26 C H2' . 53244 2 180 . 1 . 1 26 26 C H5 H 1 5.60 . . 1 . . . . . 26 C H5 . 53244 2 181 . 1 . 1 26 26 C H6 H 1 7.67 . . 1 . . . . . 26 C H6 . 53244 2 182 . 1 . 1 26 26 C C1' C 13 90.98 . . 1 . . . . . 26 C C1' . 53244 2 183 . 1 . 1 26 26 C C5 C 13 98.01 . . 1 . . . . . 26 C C5 . 53244 2 184 . 1 . 1 26 26 C C6 C 13 141.54 . . 1 . . . . . 26 C C6 . 53244 2 stop_ save_