################################### # 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 30386 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 WaterGate [1H-1H] NOESY buildup series' . . . 30386 1 2 '2D PreSat [1H-1H] NOESY buildup series' . . . 30386 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 5.823 0.001 . 1 . . . . A 1 G H1' . 30386 1 2 . 1 . 1 1 1 G H2' H 1 4.890 0.001 . 1 . . . . A 1 G H2' . 30386 1 3 . 1 . 1 1 1 G H3' H 1 4.728 0.000 . 1 . . . . A 1 G H3' . 30386 1 4 . 1 . 1 1 1 G H5' H 1 4.089 0.000 . 1 . . . . A 1 G H5' . 30386 1 5 . 1 . 1 1 1 G H5'' H 1 3.987 0.007 . 1 . . . . A 1 G H5'' . 30386 1 6 . 1 . 1 1 1 G H8 H 1 8.094 0.003 . 1 . . . . A 1 G H8 . 30386 1 7 . 1 . 1 2 2 G H1 H 1 13.373 0.003 . 1 . . . . A 2 G H1 . 30386 1 8 . 1 . 1 2 2 G H1' H 1 5.937 0.000 . 1 . . . . A 2 G H1' . 30386 1 9 . 1 . 1 2 2 G H2' H 1 4.641 0.003 . 1 . . . . A 2 G H2' . 30386 1 10 . 1 . 1 2 2 G H3' H 1 4.725 0.000 . 1 . . . . A 2 G H3' . 30386 1 11 . 1 . 1 2 2 G H8 H 1 7.642 0.001 . 1 . . . . A 2 G H8 . 30386 1 12 . 1 . 1 3 3 C H1' H 1 5.560 0.001 . 1 . . . . A 3 C H1' . 30386 1 13 . 1 . 1 3 3 C H2' H 1 4.634 0.009 . 1 . . . . A 3 C H2' . 30386 1 14 . 1 . 1 3 3 C H5 H 1 5.345 0.016 . 1 . . . . A 3 C H5 . 30386 1 15 . 1 . 1 3 3 C H6 H 1 7.727 0.003 . 1 . . . . A 3 C H6 . 30386 1 16 . 1 . 1 3 3 C H41 H 1 8.640 0.005 . 1 . . . . A 3 C H41 . 30386 1 17 . 1 . 1 3 3 C H42 H 1 6.937 0.002 . 1 . . . . A 3 C H42 . 30386 1 18 . 1 . 1 4 4 A H1' H 1 6.006 0.002 . 1 . . . . A 4 A H1' . 30386 1 19 . 1 . 1 4 4 A H2 H 1 7.454 0.003 . 1 . . . . A 4 A H2 . 30386 1 20 . 1 . 1 4 4 A H2' H 1 4.711 0.005 . 1 . . . . A 4 A H2' . 30386 1 21 . 1 . 1 4 4 A H5'' H 1 4.191 0.011 . 1 . . . . A 4 A H5'' . 30386 1 22 . 1 . 1 4 4 A H8 H 1 8.084 0.004 . 1 . . . . A 4 A H8 . 30386 1 23 . 1 . 1 4 4 A H61 H 1 8.227 0.023 . 1 . . . . A 4 A H61 . 30386 1 24 . 1 . 1 4 4 A H62 H 1 6.456 0.000 . 1 . . . . A 4 A H62 . 30386 1 25 . 1 . 1 5 5 C H1' H 1 5.370 0.012 . 1 . . . . A 5 C H1' . 30386 1 26 . 1 . 1 5 5 C H2' H 1 4.409 0.026 . 1 . . . . A 5 C H2' . 30386 1 27 . 1 . 1 5 5 C H3' H 1 4.163 0.001 . 1 . . . . A 5 C H3' . 30386 1 28 . 1 . 1 5 5 C H5 H 1 5.219 0.028 . 1 . . . . A 5 C H5 . 30386 1 29 . 1 . 1 5 5 C H5'' H 1 4.054 0.000 . 1 . . . . A 5 C H5'' . 30386 1 30 . 1 . 1 5 5 C H6 H 1 7.302 0.008 . 1 . . . . A 5 C H6 . 30386 1 31 . 1 . 1 5 5 C H41 H 1 8.556 0.007 . 1 . . . . A 5 C H41 . 30386 1 32 . 1 . 1 5 5 C H42 H 1 7.048 0.006 . 1 . . . . A 5 C H42 . 30386 1 33 . 1 . 1 6 6 U H1' H 1 5.675 0.003 . 1 . . . . A 6 U H1' . 30386 1 34 . 1 . 1 6 6 U H2' H 1 3.795 0.003 . 1 . . . . A 6 U H2' . 30386 1 35 . 1 . 1 6 6 U H3' H 1 4.606 0.003 . 1 . . . . A 6 U H3' . 30386 1 36 . 1 . 1 6 6 U H4' H 1 4.413 0.000 . 1 . . . . A 6 U H4' . 30386 1 37 . 1 . 1 6 6 U H5 H 1 5.683 0.003 . 1 . . . . A 6 U H5 . 30386 1 38 . 1 . 1 6 6 U H6 H 1 7.772 0.002 . 1 . . . . A 6 U H6 . 30386 1 39 . 1 . 1 6 6 U HO2' H 1 6.695 0.003 . 1 . . . . A 6 U HO2' . 30386 1 40 . 1 . 1 7 7 U H1' H 1 6.127 0.003 . 1 . . . . A 7 U H1' . 30386 1 41 . 1 . 1 7 7 U H2' H 1 4.757 0.015 . 1 . . . . A 7 U H2' . 30386 1 42 . 1 . 1 7 7 U H5 H 1 5.889 0.001 . 1 . . . . A 7 U H5 . 30386 1 43 . 1 . 1 7 7 U H5' H 1 4.285 0.000 . 1 . . . . A 7 U H5' . 30386 1 44 . 1 . 1 7 7 U H5'' H 1 4.053 0.009 . 1 . . . . A 7 U H5'' . 30386 1 45 . 1 . 1 7 7 U H6 H 1 8.047 0.005 . 1 . . . . A 7 U H6 . 30386 1 46 . 1 . 1 8 8 C H1' H 1 5.986 0.003 . 1 . . . . A 8 C H1' . 30386 1 47 . 1 . 1 8 8 C H2' H 1 4.123 0.001 . 1 . . . . A 8 C H2' . 30386 1 48 . 1 . 1 8 8 C H3' H 1 4.541 0.019 . 1 . . . . A 8 C H3' . 30386 1 49 . 1 . 1 8 8 C H4' H 1 3.827 0.004 . 1 . . . . A 8 C H4' . 30386 1 50 . 1 . 1 8 8 C H5 H 1 6.140 0.005 . 1 . . . . A 8 C H5 . 30386 1 51 . 1 . 1 8 8 C H5' H 1 3.635 0.005 . 1 . . . . A 8 C H5' . 30386 1 52 . 1 . 1 8 8 C H5'' H 1 2.723 0.002 . 1 . . . . A 8 C H5'' . 30386 1 53 . 1 . 1 8 8 C H6 H 1 7.721 0.008 . 1 . . . . A 8 C H6 . 30386 1 54 . 1 . 1 8 8 C H41 H 1 7.165 0.003 . 1 . . . . A 8 C H41 . 30386 1 55 . 1 . 1 8 8 C H42 H 1 6.310 0.010 . 1 . . . . A 8 C H42 . 30386 1 56 . 1 . 1 9 9 G H1 H 1 9.929 0.004 . 1 . . . . A 9 G H1 . 30386 1 57 . 1 . 1 9 9 G H1' H 1 5.993 0.001 . 1 . . . . A 9 G H1' . 30386 1 58 . 1 . 1 9 9 G H3' H 1 5.672 0.004 . 1 . . . . A 9 G H3' . 30386 1 59 . 1 . 1 9 9 G H4' H 1 4.471 0.027 . 1 . . . . A 9 G H4' . 30386 1 60 . 1 . 1 9 9 G H5' H 1 4.514 0.000 . 1 . . . . A 9 G H5' . 30386 1 61 . 1 . 1 9 9 G H5'' H 1 4.236 0.022 . 1 . . . . A 9 G H5'' . 30386 1 62 . 1 . 1 9 9 G H8 H 1 7.898 0.001 . 1 . . . . A 9 G H8 . 30386 1 63 . 1 . 1 10 10 G H1 H 1 13.480 0.005 . 1 . . . . A 10 G H1 . 30386 1 64 . 1 . 1 10 10 G H1' H 1 4.488 0.023 . 1 . . . . A 10 G H1' . 30386 1 65 . 1 . 1 10 10 G H2' H 1 4.506 0.000 . 1 . . . . A 10 G H2' . 30386 1 66 . 1 . 1 10 10 G H3' H 1 4.299 0.013 . 1 . . . . A 10 G H3' . 30386 1 67 . 1 . 1 10 10 G H5'' H 1 4.578 0.000 . 1 . . . . A 10 G H5'' . 30386 1 68 . 1 . 1 10 10 G H8 H 1 8.353 0.001 . 1 . . . . A 10 G H8 . 30386 1 69 . 1 . 1 10 10 G H21 H 1 8.747 0.002 . 1 . . . . A 10 G H21 . 30386 1 70 . 1 . 1 10 10 G H22 H 1 6.496 0.001 . 1 . . . . A 10 G H22 . 30386 1 71 . 1 . 1 11 11 U H1' H 1 5.586 0.006 . 1 . . . . A 11 U H1' . 30386 1 72 . 1 . 1 11 11 U H2' H 1 4.738 0.010 . 1 . . . . A 11 U H2' . 30386 1 73 . 1 . 1 11 11 U H3 H 1 13.735 0.003 . 1 . . . . A 11 U H3 . 30386 1 74 . 1 . 1 11 11 U H5 H 1 5.159 0.031 . 1 . . . . A 11 U H5 . 30386 1 75 . 1 . 1 11 11 U H6 H 1 7.812 0.003 . 1 . . . . A 11 U H6 . 30386 1 76 . 1 . 1 12 12 G H1 H 1 12.634 0.008 . 1 . . . . A 12 G H1 . 30386 1 77 . 1 . 1 12 12 G H1' H 1 5.873 0.005 . 1 . . . . A 12 G H1' . 30386 1 78 . 1 . 1 12 12 G H2' H 1 4.613 0.001 . 1 . . . . A 12 G H2' . 30386 1 79 . 1 . 1 12 12 G H8 H 1 7.807 0.002 . 1 . . . . A 12 G H8 . 30386 1 80 . 1 . 1 12 12 G H21 H 1 8.092 0.001 . 1 . . . . A 12 G H21 . 30386 1 81 . 1 . 1 12 12 G H22 H 1 6.005 0.002 . 1 . . . . A 12 G H22 . 30386 1 82 . 1 . 1 13 13 C H1' H 1 5.514 0.003 . 1 . . . . A 13 C H1' . 30386 1 83 . 1 . 1 13 13 C H2' H 1 4.278 0.011 . 1 . . . . A 13 C H2' . 30386 1 84 . 1 . 1 13 13 C H3' H 1 4.465 0.027 . 1 . . . . A 13 C H3' . 30386 1 85 . 1 . 1 13 13 C H5 H 1 5.297 0.018 . 1 . . . . A 13 C H5 . 30386 1 86 . 1 . 1 13 13 C H5'' H 1 4.086 0.000 . 1 . . . . A 13 C H5'' . 30386 1 87 . 1 . 1 13 13 C H6 H 1 7.700 0.008 . 1 . . . . A 13 C H6 . 30386 1 88 . 1 . 1 13 13 C H41 H 1 8.597 0.004 . 1 . . . . A 13 C H41 . 30386 1 89 . 1 . 1 13 13 C H42 H 1 6.961 0.002 . 1 . . . . A 13 C H42 . 30386 1 90 . 1 . 1 14 14 C H1' H 1 5.779 0.003 . 1 . . . . A 14 C H1' . 30386 1 91 . 1 . 1 14 14 C H2' H 1 4.036 0.004 . 1 . . . . A 14 C H2' . 30386 1 92 . 1 . 1 14 14 C H3' H 1 4.199 0.006 . 1 . . . . A 14 C H3' . 30386 1 93 . 1 . 1 14 14 C H5 H 1 5.552 0.002 . 1 . . . . A 14 C H5 . 30386 1 94 . 1 . 1 14 14 C H6 H 1 7.693 0.003 . 1 . . . . A 14 C H6 . 30386 1 95 . 1 . 1 14 14 C H41 H 1 8.455 0.007 . 1 . . . . A 14 C H41 . 30386 1 96 . 1 . 1 14 14 C H42 H 1 7.020 0.002 . 1 . . . . A 14 C H42 . 30386 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 30386 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _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 WaterGate [1H-1H] NOESY buildup series' . . . 30386 2 2 '2D PreSat [1H-1H] NOESY buildup series' . . . 30386 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 5.805 0.001 . 1 . . . . A 1 G H1' . 30386 2 2 . 1 . 1 1 1 G H2' H 1 4.947 0.001 . 1 . . . . A 1 G H2' . 30386 2 3 . 1 . 1 1 1 G H3' H 1 4.644 0.002 . 1 . . . . A 1 G H3' . 30386 2 4 . 1 . 1 1 1 G H4' H 1 4.419 0.004 . 1 . . . . A 1 G H4' . 30386 2 5 . 1 . 1 1 1 G H5' H 1 4.065 0.009 . 1 . . . . A 1 G H5' . 30386 2 6 . 1 . 1 1 1 G H5'' H 1 3.971 0.002 . 1 . . . . A 1 G H5'' . 30386 2 7 . 1 . 1 1 1 G H8 H 1 8.080 0.001 . 1 . . . . A 1 G H8 . 30386 2 8 . 1 . 1 2 2 G H1 H 1 13.354 0.000 . 1 . . . . A 2 G H1 . 30386 2 9 . 1 . 1 2 2 G H1' H 1 5.930 0.003 . 1 . . . . A 2 G H1' . 30386 2 10 . 1 . 1 2 2 G H2' H 1 4.572 0.003 . 1 . . . . A 2 G H2' . 30386 2 11 . 1 . 1 2 2 G H3' H 1 4.687 0.002 . 1 . . . . A 2 G H3' . 30386 2 12 . 1 . 1 2 2 G H4' H 1 4.599 0.007 . 1 . . . . A 2 G H4' . 30386 2 13 . 1 . 1 2 2 G H5'' H 1 4.238 0.002 . 1 . . . . A 2 G H5'' . 30386 2 14 . 1 . 1 2 2 G H8 H 1 7.639 0.002 . 1 . . . . A 2 G H8 . 30386 2 15 . 1 . 1 3 3 C H1' H 1 5.561 0.001 . 1 . . . . A 3 C H1' . 30386 2 16 . 1 . 1 3 3 C H2' H 1 4.564 0.001 . 1 . . . . A 3 C H2' . 30386 2 17 . 1 . 1 3 3 C H3' H 1 4.605 0.000 . 1 . . . . A 3 C H3' . 30386 2 18 . 1 . 1 3 3 C H4' H 1 4.476 0.002 . 1 . . . . A 3 C H4' . 30386 2 19 . 1 . 1 3 3 C H5 H 1 5.348 0.002 . 1 . . . . A 3 C H5 . 30386 2 20 . 1 . 1 3 3 C H5' H 1 4.682 0.000 . 1 . . . . A 3 C H5' . 30386 2 21 . 1 . 1 3 3 C H6 H 1 7.740 0.001 . 1 . . . . A 3 C H6 . 30386 2 22 . 1 . 1 4 4 A H1' H 1 6.003 0.001 . 1 . . . . A 4 A H1' . 30386 2 23 . 1 . 1 4 4 A H2 H 1 7.450 0.002 . 1 . . . . A 4 A H2 . 30386 2 24 . 1 . 1 4 4 A H2' H 1 4.650 0.002 . 1 . . . . A 4 A H2' . 30386 2 25 . 1 . 1 4 4 A H3' H 1 4.670 0.000 . 1 . . . . A 4 A H3' . 30386 2 26 . 1 . 1 4 4 A H4' H 1 4.535 0.002 . 1 . . . . A 4 A H4' . 30386 2 27 . 1 . 1 4 4 A H5' H 1 4.601 0.001 . 1 . . . . A 4 A H5' . 30386 2 28 . 1 . 1 4 4 A H5'' H 1 4.185 0.001 . 1 . . . . A 4 A H5'' . 30386 2 29 . 1 . 1 4 4 A H8 H 1 8.085 0.002 . 1 . . . . A 4 A H8 . 30386 2 30 . 1 . 1 5 5 C H1' H 1 5.372 0.002 . 1 . . . . A 5 C H1' . 30386 2 31 . 1 . 1 5 5 C H2' H 1 4.388 0.002 . 1 . . . . A 5 C H2' . 30386 2 32 . 1 . 1 5 5 C H3' H 1 4.171 0.001 . 1 . . . . A 5 C H3' . 30386 2 33 . 1 . 1 5 5 C H4' H 1 4.442 0.005 . 1 . . . . A 5 C H4' . 30386 2 34 . 1 . 1 5 5 C H5 H 1 5.237 0.001 . 1 . . . . A 5 C H5 . 30386 2 35 . 1 . 1 5 5 C H5' H 1 4.472 0.001 . 1 . . . . A 5 C H5' . 30386 2 36 . 1 . 1 5 5 C H5'' H 1 4.055 0.004 . 1 . . . . A 5 C H5'' . 30386 2 37 . 1 . 1 5 5 C H6 H 1 7.310 0.001 . 1 . . . . A 5 C H6 . 30386 2 38 . 1 . 1 6 6 U H1' H 1 5.677 0.001 . 1 . . . . A 6 U H1' . 30386 2 39 . 1 . 1 6 6 U H2' H 1 3.795 0.001 . 1 . . . . A 6 U H2' . 30386 2 40 . 1 . 1 6 6 U H3' H 1 4.562 0.002 . 1 . . . . A 6 U H3' . 30386 2 41 . 1 . 1 6 6 U H4' H 1 4.382 0.002 . 1 . . . . A 6 U H4' . 30386 2 42 . 1 . 1 6 6 U H5 H 1 5.681 0.002 . 1 . . . . A 6 U H5 . 30386 2 43 . 1 . 1 6 6 U H5'' H 1 4.104 0.004 . 1 . . . . A 6 U H5'' . 30386 2 44 . 1 . 1 6 6 U H6 H 1 7.779 0.002 . 1 . . . . A 6 U H6 . 30386 2 45 . 1 . 1 7 7 U H1' H 1 6.131 0.002 . 1 . . . . A 7 U H1' . 30386 2 46 . 1 . 1 7 7 U H2' H 1 4.685 0.004 . 1 . . . . A 7 U H2' . 30386 2 47 . 1 . 1 7 7 U H3' H 1 4.381 0.001 . 1 . . . . A 7 U H3' . 30386 2 48 . 1 . 1 7 7 U H4' H 1 4.508 0.003 . 1 . . . . A 7 U H4' . 30386 2 49 . 1 . 1 7 7 U H5 H 1 5.888 0.005 . 1 . . . . A 7 U H5 . 30386 2 50 . 1 . 1 7 7 U H5' H 1 4.262 0.001 . 1 . . . . A 7 U H5' . 30386 2 51 . 1 . 1 7 7 U H5'' H 1 4.053 0.004 . 1 . . . . A 7 U H5'' . 30386 2 52 . 1 . 1 7 7 U H6 H 1 8.050 0.001 . 1 . . . . A 7 U H6 . 30386 2 53 . 1 . 1 8 8 C H1' H 1 5.991 0.001 . 1 . . . . A 8 C H1' . 30386 2 54 . 1 . 1 8 8 C H2' H 1 4.125 0.002 . 1 . . . . A 8 C H2' . 30386 2 55 . 1 . 1 8 8 C H3' H 1 4.510 0.002 . 1 . . . . A 8 C H3' . 30386 2 56 . 1 . 1 8 8 C H4' H 1 3.835 0.001 . 1 . . . . A 8 C H4' . 30386 2 57 . 1 . 1 8 8 C H5 H 1 6.141 0.003 . 1 . . . . A 8 C H5 . 30386 2 58 . 1 . 1 8 8 C H5' H 1 3.632 0.002 . 1 . . . . A 8 C H5' . 30386 2 59 . 1 . 1 8 8 C H5'' H 1 2.729 0.001 . 1 . . . . A 8 C H5'' . 30386 2 60 . 1 . 1 8 8 C H6 H 1 7.724 0.001 . 1 . . . . A 8 C H6 . 30386 2 61 . 1 . 1 9 9 G H1 H 1 9.931 0.000 . 1 . . . . A 9 G H1 . 30386 2 62 . 1 . 1 9 9 G H1' H 1 5.996 0.002 . 1 . . . . A 9 G H1' . 30386 2 63 . 1 . 1 9 9 G H2' H 1 4.845 0.001 . 1 . . . . A 9 G H2' . 30386 2 64 . 1 . 1 9 9 G H3' H 1 5.672 0.002 . 1 . . . . A 9 G H3' . 30386 2 65 . 1 . 1 9 9 G H4' H 1 4.442 0.003 . 1 . . . . A 9 G H4' . 30386 2 66 . 1 . 1 9 9 G H5' H 1 4.445 0.001 . 1 . . . . A 9 G H5' . 30386 2 67 . 1 . 1 9 9 G H5'' H 1 4.221 0.003 . 1 . . . . A 9 G H5'' . 30386 2 68 . 1 . 1 9 9 G H8 H 1 7.893 0.001 . 1 . . . . A 9 G H8 . 30386 2 69 . 1 . 1 10 10 G H1 H 1 13.471 0.000 . 1 . . . . A 10 G H1 . 30386 2 70 . 1 . 1 10 10 G H1' H 1 4.460 0.000 . 1 . . . . A 10 G H1' . 30386 2 71 . 1 . 1 10 10 G H2' H 1 4.455 0.002 . 1 . . . . A 10 G H2' . 30386 2 72 . 1 . 1 10 10 G H3' H 1 4.296 0.002 . 1 . . . . A 10 G H3' . 30386 2 73 . 1 . 1 10 10 G H4' H 1 4.418 0.003 . 1 . . . . A 10 G H4' . 30386 2 74 . 1 . 1 10 10 G H5'' H 1 4.535 0.001 . 1 . . . . A 10 G H5'' . 30386 2 75 . 1 . 1 10 10 G H8 H 1 8.357 0.001 . 1 . . . . A 10 G H8 . 30386 2 76 . 1 . 1 11 11 U H1' H 1 5.583 0.004 . 1 . . . . A 11 U H1' . 30386 2 77 . 1 . 1 11 11 U H2' H 1 4.691 0.001 . 1 . . . . A 11 U H2' . 30386 2 78 . 1 . 1 11 11 U H3 H 1 13.733 0.000 . 1 . . . . A 11 U H3 . 30386 2 79 . 1 . 1 11 11 U H3' H 1 4.607 0.002 . 1 . . . . A 11 U H3' . 30386 2 80 . 1 . 1 11 11 U H4' H 1 4.440 0.003 . 1 . . . . A 11 U H4' . 30386 2 81 . 1 . 1 11 11 U H5 H 1 5.179 0.001 . 1 . . . . A 11 U H5 . 30386 2 82 . 1 . 1 11 11 U H5' H 1 4.542 0.004 . 1 . . . . A 11 U H5' . 30386 2 83 . 1 . 1 11 11 U H5'' H 1 4.085 0.001 . 1 . . . . A 11 U H5'' . 30386 2 84 . 1 . 1 11 11 U H6 H 1 7.825 0.001 . 1 . . . . A 11 U H6 . 30386 2 85 . 1 . 1 12 12 G H1 H 1 12.616 0.000 . 1 . . . . A 12 G H1 . 30386 2 86 . 1 . 1 12 12 G H1' H 1 5.869 0.003 . 1 . . . . A 12 G H1' . 30386 2 87 . 1 . 1 12 12 G H2' H 1 4.558 0.003 . 1 . . . . A 12 G H2' . 30386 2 88 . 1 . 1 12 12 G H3' H 1 4.637 0.004 . 1 . . . . A 12 G H3' . 30386 2 89 . 1 . 1 12 12 G H5' H 1 4.530 0.000 . 1 . . . . A 12 G H5' . 30386 2 90 . 1 . 1 12 12 G H5'' H 1 4.166 0.001 . 1 . . . . A 12 G H5'' . 30386 2 91 . 1 . 1 12 12 G H8 H 1 7.809 0.001 . 1 . . . . A 12 G H8 . 30386 2 92 . 1 . 1 13 13 C H1' H 1 5.516 0.002 . 1 . . . . A 13 C H1' . 30386 2 93 . 1 . 1 13 13 C H2' H 1 4.279 0.001 . 1 . . . . A 13 C H2' . 30386 2 94 . 1 . 1 13 13 C H3' H 1 4.460 0.001 . 1 . . . . A 13 C H3' . 30386 2 95 . 1 . 1 13 13 C H5 H 1 5.307 0.003 . 1 . . . . A 13 C H5 . 30386 2 96 . 1 . 1 13 13 C H5' H 1 4.429 0.001 . 1 . . . . A 13 C H5' . 30386 2 97 . 1 . 1 13 13 C H5'' H 1 4.076 0.004 . 1 . . . . A 13 C H5'' . 30386 2 98 . 1 . 1 13 13 C H6 H 1 7.709 0.002 . 1 . . . . A 13 C H6 . 30386 2 99 . 1 . 1 14 14 C H1' H 1 5.774 0.001 . 1 . . . . A 14 C H1' . 30386 2 100 . 1 . 1 14 14 C H2' H 1 4.041 0.004 . 1 . . . . A 14 C H2' . 30386 2 101 . 1 . 1 14 14 C H3' H 1 4.192 0.002 . 1 . . . . A 14 C H3' . 30386 2 102 . 1 . 1 14 14 C H5 H 1 5.553 0.002 . 1 . . . . A 14 C H5 . 30386 2 103 . 1 . 1 14 14 C H5' H 1 4.501 0.001 . 1 . . . . A 14 C H5' . 30386 2 104 . 1 . 1 14 14 C H6 H 1 7.699 0.001 . 1 . . . . A 14 C H6 . 30386 2 stop_ save_