################################### # 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_RNA_1_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode RNA_1_shifts _Assigned_chem_shift_list.Entry_ID 4745 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4745 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 12.43 0.01 . 1 . . . . . . . . 4745 1 2 . 1 1 1 1 G H8 H 1 8.19 0.01 . 1 . . . . . . . . 4745 1 3 . 1 1 1 1 G H1' H 1 5.84 0.01 . 1 . . . . . . . . 4745 1 4 . 1 1 1 1 G H2' H 1 4.84 0.01 . 1 . . . . . . . . 4745 1 5 . 1 1 1 1 G H3' H 1 4.66 0.01 . 1 . . . . . . . . 4745 1 6 . 1 1 1 1 G H4' H 1 4.53 0.01 . 1 . . . . . . . . 4745 1 7 . 1 1 1 1 G H5' H 1 4.09 0.01 . 2 . . . . . . . . 4745 1 8 . 1 1 1 1 G H5'' H 1 4.31 0.01 . 2 . . . . . . . . 4745 1 9 . 1 1 2 2 G H1 H 1 13.05 0.01 . 1 . . . . . . . . 4745 1 10 . 1 1 2 2 G H8 H 1 7.41 0.01 . 1 . . . . . . . . 4745 1 11 . 1 1 2 2 G H1' H 1 5.80 0.01 . 1 . . . . . . . . 4745 1 12 . 1 1 2 2 G H2' H 1 4.51 0.01 . 1 . . . . . . . . 4745 1 13 . 1 1 2 2 G H3' H 1 4.54 0.01 . 1 . . . . . . . . 4745 1 14 . 1 1 2 2 G H4' H 1 4.85 0.01 . 1 . . . . . . . . 4745 1 15 . 1 1 2 2 G H5' H 1 4.13 0.01 . 2 . . . . . . . . 4745 1 16 . 1 1 2 2 G H5'' H 1 4.34 0.01 . 2 . . . . . . . . 4745 1 17 . 1 1 3 3 C H41 H 1 8.37 0.01 . 2 . . . . . . . . 4745 1 18 . 1 1 3 3 C H42 H 1 6.84 0.01 . 2 . . . . . . . . 4745 1 19 . 1 1 3 3 C H5 H 1 5.21 0.01 . 1 . . . . . . . . 4745 1 20 . 1 1 3 3 C H6 H 1 7.63 0.01 . 1 . . . . . . . . 4745 1 21 . 1 1 3 3 C H1' H 1 5.48 0.01 . 1 . . . . . . . . 4745 1 22 . 1 1 3 3 C H2' H 1 4.61 0.01 . 1 . . . . . . . . 4745 1 23 . 1 1 3 3 C H3' H 1 4.49 0.01 . 1 . . . . . . . . 4745 1 24 . 1 1 4 4 A H2 H 1 6.89 0.01 . 1 . . . . . . . . 4745 1 25 . 1 1 4 4 A H8 H 1 7.89 0.01 . 1 . . . . . . . . 4745 1 26 . 1 1 4 4 A H1' H 1 5.86 0.01 . 1 . . . . . . . . 4745 1 27 . 1 1 4 4 A H2' H 1 4.50 0.01 . 1 . . . . . . . . 4745 1 28 . 1 1 4 4 A H3' H 1 4.61 0.01 . 1 . . . . . . . . 4745 1 29 . 1 1 4 4 A H4' H 1 4.12 0.01 . 1 . . . . . . . . 4745 1 30 . 1 1 5 5 G H1 H 1 12.90 0.01 . 1 . . . . . . . . 4745 1 31 . 1 1 5 5 G H8 H 1 7.34 0.01 . 1 . . . . . . . . 4745 1 32 . 1 1 5 5 G H1' H 1 5.66 0.01 . 1 . . . . . . . . 4745 1 33 . 1 1 5 5 G H2' H 1 4.15 0.01 . 1 . . . . . . . . 4745 1 34 . 1 1 5 5 G H3' H 1 4.67 0.01 . 1 . . . . . . . . 4745 1 35 . 1 1 5 5 G H4' H 1 4.28 0.01 . 1 . . . . . . . . 4745 1 36 . 1 1 6 6 A H2 H 1 7.95 0.01 . 1 . . . . . . . . 4745 1 37 . 1 1 6 6 A H61 H 1 8.31 0.01 . 2 . . . . . . . . 4745 1 38 . 1 1 6 6 A H62 H 1 6.79 0.01 . 2 . . . . . . . . 4745 1 39 . 1 1 6 6 A H8 H 1 8.12 0.01 . 1 . . . . . . . . 4745 1 40 . 1 1 6 6 A H1' H 1 6.03 0.01 . 1 . . . . . . . . 4745 1 41 . 1 1 6 6 A H2' H 1 4.60 0.01 . 1 . . . . . . . . 4745 1 42 . 1 1 6 6 A H3' H 1 4.70 0.01 . 1 . . . . . . . . 4745 1 43 . 1 1 6 6 A H4' H 1 4.49 0.01 . 1 . . . . . . . . 4745 1 44 . 1 1 7 7 G H1 H 1 12.87 0.01 . 1 . . . . . . . . 4745 1 45 . 1 1 7 7 G H8 H 1 7.52 0.01 . 1 . . . . . . . . 4745 1 46 . 1 1 7 7 G H1' H 1 5.44 0.01 . 1 . . . . . . . . 4745 1 47 . 1 1 7 7 G H2' H 1 4.55 0.01 . 1 . . . . . . . . 4745 1 48 . 1 1 7 7 G H3' H 1 4.12 0.01 . 1 . . . . . . . . 4745 1 49 . 1 1 8 8 U H3 H 1 13.52 0.01 . 1 . . . . . . . . 4745 1 50 . 1 1 8 8 U H5 H 1 5.01 0.01 . 1 . . . . . . . . 4745 1 51 . 1 1 8 8 U H6 H 1 7.72 0.01 . 1 . . . . . . . . 4745 1 52 . 1 1 8 8 U H1' H 1 5.58 0.01 . 1 . . . . . . . . 4745 1 53 . 1 1 8 8 U H2' H 1 4.63 0.01 . 1 . . . . . . . . 4745 1 54 . 1 1 8 8 U H3' H 1 4.47 0.01 . 1 . . . . . . . . 4745 1 55 . 1 1 8 8 U H4' H 1 4.50 0.01 . 1 . . . . . . . . 4745 1 56 . 1 1 9 9 G H1 H 1 13.13 0.01 . 1 . . . . . . . . 4745 1 57 . 1 1 9 9 G H8 H 1 7.73 0.01 . 1 . . . . . . . . 4745 1 58 . 1 1 9 9 G H1' H 1 5.82 0.01 . 1 . . . . . . . . 4745 1 59 . 1 1 9 9 G H2' H 1 4.46 0.01 . 1 . . . . . . . . 4745 1 60 . 1 1 9 9 G H3' H 1 4.58 0.01 . 1 . . . . . . . . 4745 1 61 . 1 1 9 9 G H4' H 1 4.63 0.01 . 1 . . . . . . . . 4745 1 62 . 1 1 10 10 C H41 H 1 8.48 0.01 . 2 . . . . . . . . 4745 1 63 . 1 1 10 10 C H42 H 1 7.67 0.01 . 2 . . . . . . . . 4745 1 64 . 1 1 10 10 C H5 H 1 5.23 0.01 . 1 . . . . . . . . 4745 1 65 . 1 1 10 10 C H6 H 1 7.67 0.01 . 1 . . . . . . . . 4745 1 66 . 1 1 10 10 C H1' H 1 5.45 0.01 . 1 . . . . . . . . 4745 1 67 . 1 1 10 10 C H2' H 1 4.30 0.01 . 1 . . . . . . . . 4745 1 68 . 1 1 10 10 C H3' H 1 4.06 0.01 . 1 . . . . . . . . 4745 1 69 . 1 1 11 11 C H41 H 1 8.41 0.01 . 2 . . . . . . . . 4745 1 70 . 1 1 11 11 C H42 H 1 6.72 0.01 . 2 . . . . . . . . 4745 1 71 . 1 1 11 11 C H5 H 1 5.42 0.01 . 1 . . . . . . . . 4745 1 72 . 1 1 11 11 C H6 H 1 7.57 0.01 . 1 . . . . . . . . 4745 1 73 . 1 1 11 11 C H1' H 1 5.46 0.01 . 1 . . . . . . . . 4745 1 74 . 1 1 11 11 C H2' H 1 4.36 0.01 . 1 . . . . . . . . 4745 1 75 . 1 1 11 11 C H3' H 1 4.55 0.01 . 1 . . . . . . . . 4745 1 76 . 1 1 11 11 C H4' H 1 4.24 0.01 . 1 . . . . . . . . 4745 1 77 . 1 1 12 12 G H1 H 1 12.95 0.01 . 1 . . . . . . . . 4745 1 78 . 1 1 12 12 G H8 H 1 7.44 0.01 . 1 . . . . . . . . 4745 1 79 . 1 1 12 12 G H1' H 1 5.67 0.01 . 1 . . . . . . . . 4745 1 80 . 1 1 12 12 G H2' H 1 4.28 0.01 . 1 . . . . . . . . 4745 1 81 . 1 1 12 12 G H3' H 1 4.37 0.01 . 1 . . . . . . . . 4745 1 82 . 1 1 12 12 G H4' H 1 4.21 0.01 . 1 . . . . . . . . 4745 1 83 . 1 1 13 13 C H41 H 1 8.38 0.01 . 2 . . . . . . . . 4745 1 84 . 1 1 13 13 C H42 H 1 6.95 0.01 . 2 . . . . . . . . 4745 1 85 . 1 1 13 13 C H5 H 1 5.35 0.01 . 1 . . . . . . . . 4745 1 86 . 1 1 13 13 C H6 H 1 7.54 0.01 . 1 . . . . . . . . 4745 1 87 . 1 1 13 13 C H1' H 1 5.58 0.01 . 1 . . . . . . . . 4745 1 88 . 1 1 13 13 C H2' H 1 3.92 0.01 . 1 . . . . . . . . 4745 1 89 . 1 1 13 13 C H3' H 1 4.09 0.01 . 1 . . . . . . . . 4745 1 90 . 1 1 13 13 C H4' H 1 4.31 0.01 . 1 . . . . . . . . 4745 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_RNA_2_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode RNA_2_shifts _Assigned_chem_shift_list.Entry_ID 4745 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4745 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 8.14 0.01 . 1 . . . . . . . . 4745 2 2 . 2 2 1 1 G H1' H 1 5.74 0.01 . 1 . . . . . . . . 4745 2 3 . 2 2 1 1 G H2' H 1 4.80 0.01 . 1 . . . . . . . . 4745 2 4 . 2 2 1 1 G H3' H 1 4.71 0.01 . 1 . . . . . . . . 4745 2 5 . 2 2 1 1 G H4' H 1 4.22 0.01 . 1 . . . . . . . . 4745 2 6 . 2 2 1 1 G H5' H 1 4.30 0.01 . 2 . . . . . . . . 4745 2 7 . 2 2 1 1 G H5'' H 1 4.01 0.01 . 2 . . . . . . . . 4745 2 8 . 2 2 2 2 C H5 H 1 5.34 0.01 . 1 . . . . . . . . 4745 2 9 . 2 2 2 2 C H6 H 1 7.82 0.01 . 1 . . . . . . . . 4745 2 10 . 2 2 2 2 C H1' H 1 5.66 0.01 . 1 . . . . . . . . 4745 2 11 . 2 2 2 2 C H2' H 1 4.70 0.01 . 1 . . . . . . . . 4745 2 12 . 2 2 2 2 C H3' H 1 4.66 0.01 . 1 . . . . . . . . 4745 2 13 . 2 2 3 3 G H1 H 1 12.48 0.01 . 1 . . . . . . . . 4745 2 14 . 2 2 3 3 G H8 H 1 7.53 0.01 . 1 . . . . . . . . 4745 2 15 . 2 2 3 3 G H1' H 1 5.75 0.01 . 1 . . . . . . . . 4745 2 16 . 2 2 3 3 G H2' H 1 4.61 0.01 . 1 . . . . . . . . 4745 2 17 . 2 2 3 3 G H3' H 1 4.52 0.01 . 1 . . . . . . . . 4745 2 18 . 2 2 4 4 G H1 H 1 12.47 0.01 . 1 . . . . . . . . 4745 2 19 . 2 2 4 4 G H8 H 1 7.30 0.01 . 1 . . . . . . . . 4745 2 20 . 2 2 4 4 G H1' H 1 5.72 0.01 . 1 . . . . . . . . 4745 2 21 . 2 2 4 4 G H2' H 1 4.43 0.01 . 1 . . . . . . . . 4745 2 22 . 2 2 4 4 G H3' H 1 4.52 0.01 . 1 . . . . . . . . 4745 2 23 . 2 2 5 5 C H41 H 1 8.48 0.01 . 2 . . . . . . . . 4745 2 24 . 2 2 5 5 C H42 H 1 6.87 0.01 . 2 . . . . . . . . 4745 2 25 . 2 2 5 5 C H5 H 1 5.18 0.01 . 1 . . . . . . . . 4745 2 26 . 2 2 5 5 C H6 H 1 7.65 0.01 . 1 . . . . . . . . 4745 2 27 . 2 2 5 5 C H1' H 1 5.46 0.01 . 1 . . . . . . . . 4745 2 28 . 2 2 5 5 C H2' H 1 4.45 0.01 . 1 . . . . . . . . 4745 2 29 . 2 2 5 5 C H3' H 1 4.08 0.01 . 1 . . . . . . . . 4745 2 30 . 2 2 6 6 A H2 H 1 7.45 0.01 . 1 . . . . . . . . 4745 2 31 . 2 2 6 6 A H8 H 1 8.05 0.01 . 1 . . . . . . . . 4745 2 32 . 2 2 6 6 A H1' H 1 5.95 0.01 . 1 . . . . . . . . 4745 2 33 . 2 2 6 6 A H2' H 1 4.55 0.01 . 1 . . . . . . . . 4745 2 34 . 2 2 6 6 A H3' H 1 4.67 0.01 . 1 . . . . . . . . 4745 2 35 . 2 2 6 6 A H4' H 1 4.49 0.01 . 1 . . . . . . . . 4745 2 36 . 2 2 7 7 C H41 H 1 8.18 0.01 . 2 . . . . . . . . 4745 2 37 . 2 2 7 7 C H42 H 1 7.19 0.01 . 2 . . . . . . . . 4745 2 38 . 2 2 7 7 C H5 H 1 5.35 0.01 . 1 . . . . . . . . 4745 2 39 . 2 2 7 7 C H6 H 1 7.41 0.01 . 1 . . . . . . . . 4745 2 40 . 2 2 7 7 C H1' H 1 5.47 0.01 . 1 . . . . . . . . 4745 2 41 . 2 2 7 7 C H2' H 1 4.21 0.01 . 1 . . . . . . . . 4745 2 42 . 2 2 7 7 C H3' H 1 4.34 0.01 . 1 . . . . . . . . 4745 2 43 . 2 2 7 7 C H4' H 1 4.36 0.01 . 1 . . . . . . . . 4745 2 44 . 2 2 8 8 C H5 H 1 5.63 0.01 . 1 . . . . . . . . 4745 2 45 . 2 2 8 8 C H6 H 1 7.87 0.01 . 1 . . . . . . . . 4745 2 46 . 2 2 8 8 C H1' H 1 5.46 0.01 . 1 . . . . . . . . 4745 2 47 . 2 2 8 8 C H2' H 1 4.35 0.01 . 1 . . . . . . . . 4745 2 48 . 2 2 8 8 C H3' H 1 4.47 0.01 . 1 . . . . . . . . 4745 2 49 . 2 2 9 9 U H3 H 1 13.81 0.01 . 1 . . . . . . . . 4745 2 50 . 2 2 9 9 U H5 H 1 5.52 0.01 . 1 . . . . . . . . 4745 2 51 . 2 2 9 9 U H6 H 1 7.95 0.01 . 1 . . . . . . . . 4745 2 52 . 2 2 9 9 U H1' H 1 5.32 0.01 . 1 . . . . . . . . 4745 2 53 . 2 2 9 9 U H2' H 1 4.45 0.01 . 1 . . . . . . . . 4745 2 54 . 2 2 9 9 U H3' H 1 4.35 0.01 . 1 . . . . . . . . 4745 2 55 . 2 2 10 10 G H1 H 1 12.47 0.01 . 1 . . . . . . . . 4745 2 56 . 2 2 10 10 G H8 H 1 7.74 0.01 . 1 . . . . . . . . 4745 2 57 . 2 2 10 10 G H1' H 1 5.16 0.01 . 1 . . . . . . . . 4745 2 58 . 2 2 10 10 G H2' H 1 4.37 0.01 . 1 . . . . . . . . 4745 2 59 . 2 2 10 10 G H3' H 1 4.41 0.01 . 1 . . . . . . . . 4745 2 60 . 2 2 10 10 G H4' H 1 4.29 0.01 . 1 . . . . . . . . 4745 2 61 . 2 2 11 11 C H41 H 1 8.35 0.01 . 2 . . . . . . . . 4745 2 62 . 2 2 11 11 C H42 H 1 6.86 0.01 . 2 . . . . . . . . 4745 2 63 . 2 2 11 11 C H5 H 1 5.41 0.01 . 1 . . . . . . . . 4745 2 64 . 2 2 11 11 C H6 H 1 7.58 0.01 . 1 . . . . . . . . 4745 2 65 . 2 2 11 11 C H1' H 1 5.71 0.01 . 1 . . . . . . . . 4745 2 66 . 2 2 11 11 C H2' H 1 4.39 0.01 . 1 . . . . . . . . 4745 2 67 . 2 2 11 11 C H3' H 1 4.06 0.01 . 1 . . . . . . . . 4745 2 68 . 2 2 11 11 C H4' H 1 4.15 0.01 . 1 . . . . . . . . 4745 2 69 . 2 2 12 12 C H5 H 1 5.22 0.01 . 1 . . . . . . . . 4745 2 70 . 2 2 12 12 C H6 H 1 7.49 0.01 . 1 . . . . . . . . 4745 2 71 . 2 2 12 12 C H1' H 1 5.69 0.01 . 1 . . . . . . . . 4745 2 72 . 2 2 12 12 C H2' H 1 3.96 0.01 . 1 . . . . . . . . 4745 2 73 . 2 2 12 12 C H3' H 1 4.12 0.01 . 1 . . . . . . . . 4745 2 74 . 2 2 12 12 C H4' H 1 4.33 0.01 . 1 . . . . . . . . 4745 2 stop_ save_