################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6979 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'Imino and amino proton were assigned at 5 degC.' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6979 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 H8 H 1 8.14 0.01 . 1 . . . . . . . . 6979 1 2 . 1 1 1 1 G H1' H 1 5.94 0.01 . 1 . . . . . . . . 6979 1 3 . 1 1 1 1 G H2' H 1 4.87 0.01 . 1 . . . . . . . . 6979 1 4 . 1 1 1 1 G H3' H 1 4.55 0.01 . 1 . . . . . . . . 6979 1 5 . 1 1 1 1 G H4' H 1 4.47 0.01 . 1 . . . . . . . . 6979 1 6 . 1 1 1 1 G H5' H 1 4.13 0.01 . 2 . . . . . . . . 6979 1 7 . 1 1 1 1 G H5'' H 1 4.00 0.01 . 2 . . . . . . . . 6979 1 8 . 1 1 1 1 G H1 H 1 11.93 0.01 . 1 . . . . . . . . 6979 1 9 . 1 1 2 2 G H8 H 1 7.32 0.01 . 1 . . . . . . . . 6979 1 10 . 1 1 2 2 G H1' H 1 5.77 0.01 . 1 . . . . . . . . 6979 1 11 . 1 1 2 2 G H2' H 1 4.65 0.01 . 1 . . . . . . . . 6979 1 12 . 1 1 2 2 G H3' H 1 4.42 0.01 . 1 . . . . . . . . 6979 1 13 . 1 1 2 2 G H4' H 1 4.47 0.01 . 1 . . . . . . . . 6979 1 14 . 1 1 2 2 G H5' H 1 4.55 0.01 . 2 . . . . . . . . 6979 1 15 . 1 1 2 2 G H5'' H 1 4.14 0.01 . 2 . . . . . . . . 6979 1 16 . 1 1 2 2 G H1 H 1 13.34 0.01 . 1 . . . . . . . . 6979 1 17 . 1 1 2 2 G P P 31 0.44 0.01 . 1 . . . . . . . . 6979 1 18 . 1 1 3 3 U H6 H 1 7.23 0.01 . 1 . . . . . . . . 6979 1 19 . 1 1 3 3 U H5 H 1 5.26 0.01 . 1 . . . . . . . . 6979 1 20 . 1 1 3 3 U H1' H 1 5.20 0.01 . 1 . . . . . . . . 6979 1 21 . 1 1 3 3 U H2' H 1 4.44 0.01 . 1 . . . . . . . . 6979 1 22 . 1 1 3 3 U H3' H 1 4.21 0.01 . 1 . . . . . . . . 6979 1 23 . 1 1 3 3 U H4' H 1 4.38 0.01 . 1 . . . . . . . . 6979 1 24 . 1 1 3 3 U H5' H 1 4.06 0.01 . 1 . . . . . . . . 6979 1 25 . 1 1 3 3 U H3 H 1 11.49 0.01 . 1 . . . . . . . . 6979 1 26 . 1 1 3 3 U P P 31 0.09 0.01 . 1 . . . . . . . . 6979 1 27 . 1 1 4 4 G H8 H 1 7.90 0.01 . 1 . . . . . . . . 6979 1 28 . 1 1 4 4 G H1' H 1 5.35 0.01 . 1 . . . . . . . . 6979 1 29 . 1 1 4 4 G H2' H 1 3.67 0.01 . 1 . . . . . . . . 6979 1 30 . 1 1 4 4 G H3' H 1 4.82 0.01 . 1 . . . . . . . . 6979 1 31 . 1 1 4 4 G H4' H 1 4.40 0.01 . 1 . . . . . . . . 6979 1 32 . 1 1 4 4 G H5' H 1 4.48 0.01 . 2 . . . . . . . . 6979 1 33 . 1 1 4 4 G H5'' H 1 4.15 0.01 . 2 . . . . . . . . 6979 1 34 . 1 1 4 4 G P P 31 0.56 0.01 . 1 . . . . . . . . 6979 1 35 . 1 1 5 5 A H8 H 1 8.24 0.01 . 1 . . . . . . . . 6979 1 36 . 1 1 5 5 A H2 H 1 8.28 0.01 . 1 . . . . . . . . 6979 1 37 . 1 1 5 5 A H1' H 1 5.68 0.01 . 1 . . . . . . . . 6979 1 38 . 1 1 5 5 A H2' H 1 4.95 0.01 . 1 . . . . . . . . 6979 1 39 . 1 1 5 5 A H3' H 1 4.82 0.01 . 1 . . . . . . . . 6979 1 40 . 1 1 5 5 A H4' H 1 4.65 0.01 . 1 . . . . . . . . 6979 1 41 . 1 1 5 5 A H5' H 1 4.45 0.01 . 2 . . . . . . . . 6979 1 42 . 1 1 5 5 A H5'' H 1 4.16 0.01 . 2 . . . . . . . . 6979 1 43 . 1 1 5 5 A P P 31 0.05 0.01 . 1 . . . . . . . . 6979 1 44 . 1 1 6 6 A H8 H 1 7.62 0.01 . 1 . . . . . . . . 6979 1 45 . 1 1 6 6 A H2 H 1 7.94 0.01 . 1 . . . . . . . . 6979 1 46 . 1 1 6 6 A H1' H 1 5.44 0.01 . 1 . . . . . . . . 6979 1 47 . 1 1 6 6 A H2' H 1 4.74 0.01 . 1 . . . . . . . . 6979 1 48 . 1 1 6 6 A H3' H 1 4.40 0.01 . 1 . . . . . . . . 6979 1 49 . 1 1 6 6 A H5' H 1 4.47 0.01 . 2 . . . . . . . . 6979 1 50 . 1 1 6 6 A H5'' H 1 4.25 0.01 . 2 . . . . . . . . 6979 1 51 . 1 1 6 6 A P P 31 2.20 0.01 . 1 . . . . . . . . 6979 1 52 . 1 1 7 7 G H8 H 1 7.47 0.01 . 1 . . . . . . . . 6979 1 53 . 1 1 7 7 G H1' H 1 4.27 0.01 . 1 . . . . . . . . 6979 1 54 . 1 1 7 7 G H2' H 1 4.33 0.01 . 1 . . . . . . . . 6979 1 55 . 1 1 7 7 G H3' H 1 4.37 0.01 . 1 . . . . . . . . 6979 1 56 . 1 1 7 7 G H4' H 1 4.40 0.01 . 1 . . . . . . . . 6979 1 57 . 1 1 7 7 G H5' H 1 4.47 0.01 . 2 . . . . . . . . 6979 1 58 . 1 1 7 7 G H5'' H 1 4.10 0.01 . 2 . . . . . . . . 6979 1 59 . 1 1 7 7 G H1 H 1 12.61 0.01 . 1 . . . . . . . . 6979 1 60 . 1 1 7 7 G P P 31 0.18 0.01 . 1 . . . . . . . . 6979 1 61 . 1 1 8 8 G H8 H 1 7.13 0.01 . 1 . . . . . . . . 6979 1 62 . 1 1 8 8 G H1' H 1 5.71 0.01 . 1 . . . . . . . . 6979 1 63 . 1 1 8 8 G H2' H 1 4.49 0.01 . 1 . . . . . . . . 6979 1 64 . 1 1 8 8 G H3' H 1 4.39 0.01 . 1 . . . . . . . . 6979 1 65 . 1 1 8 8 G H4' H 1 4.43 0.01 . 1 . . . . . . . . 6979 1 66 . 1 1 8 8 G H5' H 1 4.27 0.01 . 2 . . . . . . . . 6979 1 67 . 1 1 8 8 G H5'' H 1 4.01 0.01 . 2 . . . . . . . . 6979 1 68 . 1 1 8 8 G H1 H 1 13.22 0.01 . 1 . . . . . . . . 6979 1 69 . 1 1 8 8 G P P 31 0.11 0.01 . 1 . . . . . . . . 6979 1 70 . 1 1 9 9 C H6 H 1 7.42 0.01 . 1 . . . . . . . . 6979 1 71 . 1 1 9 9 C H5 H 1 5.12 0.01 . 1 . . . . . . . . 6979 1 72 . 1 1 9 9 C H1' H 1 5.59 0.01 . 1 . . . . . . . . 6979 1 73 . 1 1 9 9 C H2' H 1 4.37 0.01 . 1 . . . . . . . . 6979 1 74 . 1 1 9 9 C H3' H 1 4.26 0.01 . 1 . . . . . . . . 6979 1 75 . 1 1 9 9 C H4' H 1 4.39 0.01 . 1 . . . . . . . . 6979 1 76 . 1 1 9 9 C H5' H 1 4.16 0.01 . 2 . . . . . . . . 6979 1 77 . 1 1 9 9 C H5'' H 1 4.03 0.01 . 2 . . . . . . . . 6979 1 78 . 1 1 9 9 C H41 H 1 8.47 0.01 . 1 . . . . . . . . 6979 1 79 . 1 1 9 9 C H42 H 1 7.08 0.01 . 1 . . . . . . . . 6979 1 80 . 1 1 9 9 C P P 31 0.39 0.01 . 1 . . . . . . . . 6979 1 81 . 1 1 10 10 U H6 H 1 7.74 0.01 . 1 . . . . . . . . 6979 1 82 . 1 1 10 10 U H5 H 1 5.55 0.01 . 1 . . . . . . . . 6979 1 83 . 1 1 10 10 U H1' H 1 5.73 0.01 . 1 . . . . . . . . 6979 1 84 . 1 1 10 10 U H2' H 1 3.96 0.01 . 1 . . . . . . . . 6979 1 85 . 1 1 10 10 U H3' H 1 4.16 0.01 . 1 . . . . . . . . 6979 1 86 . 1 1 10 10 U H4' H 1 4.14 0.01 . 1 . . . . . . . . 6979 1 87 . 1 1 10 10 U H5' H 1 4.31 0.01 . 2 . . . . . . . . 6979 1 88 . 1 1 10 10 U H5'' H 1 4.03 0.01 . 2 . . . . . . . . 6979 1 89 . 1 1 10 10 U H3 H 1 10.95 0.01 . 1 . . . . . . . . 6979 1 90 . 1 1 10 10 U P P 31 0.25 0.01 . 1 . . . . . . . . 6979 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2 _Assigned_chem_shift_list.Entry_ID 6979 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'Imino and amino proton were assigned at 5 degC.' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6979 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 . 2 2 1 1 G H8 H 1 8.11 0.01 . 1 . . . . . . . . 6979 2 2 . 2 2 1 1 G H1' H 1 5.86 0.01 . 1 . . . . . . . . 6979 2 3 . 2 2 1 1 G H2' H 1 4.83 0.01 . 1 . . . . . . . . 6979 2 4 . 2 2 1 1 G H3' H 1 4.54 0.01 . 1 . . . . . . . . 6979 2 5 . 2 2 1 1 G H4' H 1 4.44 0.01 . 1 . . . . . . . . 6979 2 6 . 2 2 1 1 G H5' H 1 4.13 0.01 . 2 . . . . . . . . 6979 2 7 . 2 2 1 1 G H5'' H 1 3.96 0.01 . 2 . . . . . . . . 6979 2 8 . 2 2 1 1 G H1 H 1 13.35 0.01 . 1 . . . . . . . . 6979 2 9 . 2 2 2 2 C H6 H 1 7.83 0.01 . 1 . . . . . . . . 6979 2 10 . 2 2 2 2 C H5 H 1 5.25 0.01 . 1 . . . . . . . . 6979 2 11 . 2 2 2 2 C H1' H 1 5.65 0.01 . 1 . . . . . . . . 6979 2 12 . 2 2 2 2 C H2' H 1 4.57 0.01 . 1 . . . . . . . . 6979 2 13 . 2 2 2 2 C H3' H 1 4.49 0.01 . 1 . . . . . . . . 6979 2 14 . 2 2 2 2 C H4' H 1 4.50 0.01 . 1 . . . . . . . . 6979 2 15 . 2 2 2 2 C H5' H 1 4.43 0.01 . 2 . . . . . . . . 6979 2 16 . 2 2 2 2 C H5'' H 1 4.16 0.01 . 2 . . . . . . . . 6979 2 17 . 2 2 2 2 C H41 H 1 8.72 0.01 . 1 . . . . . . . . 6979 2 18 . 2 2 2 2 C H42 H 1 6.89 0.01 . 1 . . . . . . . . 6979 2 19 . 2 2 2 2 C P P 31 0.09 0.01 . 1 . . . . . . . . 6979 2 20 . 2 2 3 3 C H6 H 1 7.41 0.01 . 1 . . . . . . . . 6979 2 21 . 2 2 3 3 C H5 H 1 5.32 0.01 . 1 . . . . . . . . 6979 2 22 . 2 2 3 3 C H1' H 1 5.45 0.01 . 1 . . . . . . . . 6979 2 23 . 2 2 3 3 C H2' H 1 4.48 0.01 . 1 . . . . . . . . 6979 2 24 . 2 2 3 3 C H3' H 1 4.24 0.01 . 1 . . . . . . . . 6979 2 25 . 2 2 3 3 C H4' H 1 4.43 0.01 . 1 . . . . . . . . 6979 2 26 . 2 2 3 3 C H5' H 1 4.45 0.01 . 2 . . . . . . . . 6979 2 27 . 2 2 3 3 C H5'' H 1 4.13 0.01 . 2 . . . . . . . . 6979 2 28 . 2 2 3 3 C H41 H 1 8.10 0.01 . 1 . . . . . . . . 6979 2 29 . 2 2 3 3 C H42 H 1 6.59 0.01 . 1 . . . . . . . . 6979 2 30 . 2 2 3 3 C P P 31 0.62 0.01 . 1 . . . . . . . . 6979 2 31 . 2 2 4 4 G H8 H 1 7.92 0.01 . 1 . . . . . . . . 6979 2 32 . 2 2 4 4 G H1' H 1 5.55 0.01 . 1 . . . . . . . . 6979 2 33 . 2 2 4 4 G H2' H 1 4.24 0.01 . 1 . . . . . . . . 6979 2 34 . 2 2 4 4 G H3' H 1 4.92 0.01 . 1 . . . . . . . . 6979 2 35 . 2 2 4 4 G H4' H 1 4.50 0.01 . 1 . . . . . . . . 6979 2 36 . 2 2 4 4 G H5' H 1 4.41 0.01 . 2 . . . . . . . . 6979 2 37 . 2 2 4 4 G H5'' H 1 4.13 0.01 . 2 . . . . . . . . 6979 2 38 . 2 2 4 4 G P P 31 0.21 0.01 . 1 . . . . . . . . 6979 2 39 . 2 2 5 5 A H8 H 1 8.16 0.01 . 1 . . . . . . . . 6979 2 40 . 2 2 5 5 A H2 H 1 7.83 0.01 . 1 . . . . . . . . 6979 2 41 . 2 2 5 5 A H1' H 1 5.72 0.01 . 1 . . . . . . . . 6979 2 42 . 2 2 5 5 A H2' H 1 4.92 0.01 . 1 . . . . . . . . 6979 2 43 . 2 2 5 5 A H3' H 1 4.80 0.01 . 1 . . . . . . . . 6979 2 44 . 2 2 5 5 A H4' H 1 4.59 0.01 . 1 . . . . . . . . 6979 2 45 . 2 2 5 5 A H5' H 1 4.52 0.01 . 2 . . . . . . . . 6979 2 46 . 2 2 5 5 A H5'' H 1 4.22 0.01 . 2 . . . . . . . . 6979 2 47 . 2 2 5 5 A P P 31 0.28 0.01 . 1 . . . . . . . . 6979 2 48 . 2 2 6 6 A H8 H 1 7.52 0.01 . 1 . . . . . . . . 6979 2 49 . 2 2 6 6 A H2 H 1 8.06 0.01 . 1 . . . . . . . . 6979 2 50 . 2 2 6 6 A H1' H 1 5.42 0.01 . 1 . . . . . . . . 6979 2 51 . 2 2 6 6 A H2' H 1 4.80 0.01 . 1 . . . . . . . . 6979 2 52 . 2 2 6 6 A H3' H 1 4.36 0.01 . 1 . . . . . . . . 6979 2 53 . 2 2 6 6 A H4' H 1 4.52 0.01 . 1 . . . . . . . . 6979 2 54 . 2 2 6 6 A H5' H 1 4.47 0.01 . 2 . . . . . . . . 6979 2 55 . 2 2 6 6 A H5'' H 1 4.21 0.01 . 2 . . . . . . . . 6979 2 56 . 2 2 6 6 A P P 31 1.41 0.01 . 1 . . . . . . . . 6979 2 57 . 2 2 7 7 G H8 H 1 7.32 0.01 . 1 . . . . . . . . 6979 2 58 . 2 2 7 7 G H1' H 1 4.70 0.01 . 1 . . . . . . . . 6979 2 59 . 2 2 7 7 G H2' H 1 4.33 0.01 . 1 . . . . . . . . 6979 2 60 . 2 2 7 7 G H3' H 1 4.37 0.01 . 1 . . . . . . . . 6979 2 61 . 2 2 7 7 G H1 H 1 11.46 0.01 . 1 . . . . . . . . 6979 2 62 . 2 2 7 7 G H21 H 1 6.36 0.01 . 1 . . . . . . . . 6979 2 63 . 2 2 7 7 G H22 H 1 5.40 0.01 . 1 . . . . . . . . 6979 2 64 . 2 2 7 7 G P P 31 0.17 0.01 . 1 . . . . . . . . 6979 2 65 . 2 2 8 8 C H6 H 1 7.59 0.01 . 1 . . . . . . . . 6979 2 66 . 2 2 8 8 C H5 H 1 5.37 0.01 . 1 . . . . . . . . 6979 2 67 . 2 2 8 8 C H1' H 1 5.41 0.01 . 1 . . . . . . . . 6979 2 68 . 2 2 8 8 C H2' H 1 4.19 0.01 . 1 . . . . . . . . 6979 2 69 . 2 2 8 8 C H3' H 1 4.43 0.01 . 1 . . . . . . . . 6979 2 70 . 2 2 8 8 C H4' H 1 4.36 0.01 . 1 . . . . . . . . 6979 2 71 . 2 2 8 8 C H5' H 1 4.09 0.01 . 2 . . . . . . . . 6979 2 72 . 2 2 8 8 C H5'' H 1 4.04 0.01 . 2 . . . . . . . . 6979 2 73 . 2 2 8 8 C H41 H 1 8.29 0.01 . 1 . . . . . . . . 6979 2 74 . 2 2 8 8 C H42 H 1 7.06 0.01 . 1 . . . . . . . . 6979 2 75 . 2 2 8 8 C P P 31 0.23 0.01 . 1 . . . . . . . . 6979 2 76 . 2 2 9 9 C H6 H 1 7.65 0.01 . 1 . . . . . . . . 6979 2 77 . 2 2 9 9 C H5 H 1 5.44 0.01 . 1 . . . . . . . . 6979 2 78 . 2 2 9 9 C H1' H 1 5.48 0.01 . 1 . . . . . . . . 6979 2 79 . 2 2 9 9 C H2' H 1 4.36 0.01 . 1 . . . . . . . . 6979 2 80 . 2 2 9 9 C H3' H 1 4.48 0.01 . 1 . . . . . . . . 6979 2 81 . 2 2 9 9 C H4' H 1 4.37 0.01 . 1 . . . . . . . . 6979 2 82 . 2 2 9 9 C H5' H 1 4.29 0.01 . 2 . . . . . . . . 6979 2 83 . 2 2 9 9 C H5'' H 1 4.08 0.01 . 2 . . . . . . . . 6979 2 84 . 2 2 9 9 C H41 H 1 8.06 0.01 . 1 . . . . . . . . 6979 2 85 . 2 2 9 9 C H42 H 1 7.07 0.01 . 1 . . . . . . . . 6979 2 86 . 2 2 9 9 C P P 31 0.34 0.01 . 1 . . . . . . . . 6979 2 87 . 2 2 10 10 P5P H2 H 1 8.13 0.01 . 1 . . . . . . . . 6979 2 88 . 2 2 10 10 P5P H6 H 1 8.84 0.01 . 1 . . . . . . . . 6979 2 89 . 2 2 10 10 P5P H8 H 1 8.44 0.01 . 1 . . . . . . . . 6979 2 90 . 2 2 10 10 P5P H1' H 1 6.15 0.01 . 1 . . . . . . . . 6979 2 91 . 2 2 10 10 P5P H2' H 1 4.17 0.01 . 1 . . . . . . . . 6979 2 92 . 2 2 10 10 P5P H3' H 1 4.33 0.01 . 1 . . . . . . . . 6979 2 93 . 2 2 10 10 P5P H4' H 1 4.31 0.01 . 1 . . . . . . . . 6979 2 94 . 2 2 10 10 P5P H5'1 H 1 4.44 0.01 . 2 . . . . . . . . 6979 2 95 . 2 2 10 10 P5P H5'2 H 1 4.10 0.01 . 2 . . . . . . . . 6979 2 96 . 2 2 10 10 P5P P P 31 0.38 0.01 . 1 . . . . . . . . 6979 2 stop_ save_