################################### # 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 21032 _Assigned_chem_shift_list.ID 1 _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 $chemical_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' 1 $sample_1 isotropic 21032 1 2 '2D 1H-1H NOESY' 2 $sample_2 isotropic 21032 1 3 '2D 1H-13C HSQC' 1 $sample_1 isotropic 21032 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 6HH H21 H 1 2.316 0.005 . 1 . . . . 1 6HH H21 . 21032 1 2 . 1 1 1 1 6HH H22 H 1 2.316 0.005 . 1 . . . . 1 6HH H22 . 21032 1 3 . 1 1 1 1 6HH H31 H 1 1.583 0.005 . 1 . . . . 1 6HH H31 . 21032 1 4 . 1 1 1 1 6HH H32 H 1 1.583 0.005 . 1 . . . . 1 6HH H32 . 21032 1 5 . 1 1 1 1 6HH H41 H 1 1.316 0.005 . 1 . . . . 1 6HH H41 . 21032 1 6 . 1 1 1 1 6HH H42 H 1 1.316 0.005 . 1 . . . . 1 6HH H42 . 21032 1 7 . 1 1 1 1 6HH H51 H 1 1.551 0.005 . 1 . . . . 1 6HH H51 . 21032 1 8 . 1 1 1 1 6HH H52 H 1 1.551 0.005 . 1 . . . . 1 6HH H52 . 21032 1 9 . 1 1 1 1 6HH H61 H 1 3.894 0.005 . 2 . . . . 1 6HH H61 . 21032 1 10 . 1 1 1 1 6HH H62 H 1 3.554 0.005 . 2 . . . . 1 6HH H62 . 21032 1 11 . 1 1 1 1 6HH C2 C 13 37.640 0.050 . 1 . . . . 1 6HH C2 . 21032 1 12 . 1 1 1 1 6HH C3 C 13 27.094 0.050 . 1 . . . . 1 6HH C3 . 21032 1 13 . 1 1 1 1 6HH C4 C 13 27.446 0.050 . 1 . . . . 1 6HH C4 . 21032 1 14 . 1 1 1 1 6HH C5 C 13 30.982 0.050 . 1 . . . . 1 6HH C5 . 21032 1 15 . 1 1 1 1 6HH C6 C 13 73.089 0.050 . 1 . . . . 1 6HH C6 . 21032 1 16 . 1 1 2 2 NAG H1 H 1 4.464 0.005 . 1 . . . . 2 NAG H1 . 21032 1 17 . 1 1 2 2 NAG H2 H 1 3.890 0.005 . 1 . . . . 2 NAG H2 . 21032 1 18 . 1 1 2 2 NAG H3 H 1 3.809 0.005 . 1 . . . . 2 NAG H3 . 21032 1 19 . 1 1 2 2 NAG H4 H 1 3.884 0.005 . 1 . . . . 2 NAG H4 . 21032 1 20 . 1 1 2 2 NAG H5 H 1 3.488 0.005 . 1 . . . . 2 NAG H5 . 21032 1 21 . 1 1 2 2 NAG H61 H 1 3.738 0.005 . 2 . . . . 2 NAG H61 . 21032 1 22 . 1 1 2 2 NAG H62 H 1 3.923 0.005 . 2 . . . . 2 NAG H62 . 21032 1 23 . 1 1 2 2 NAG H81 H 1 2.008 0.005 . 1 . . . . 2 NAG H81 . 21032 1 24 . 1 1 2 2 NAG H82 H 1 2.008 0.005 . 1 . . . . 2 NAG H82 . 21032 1 25 . 1 1 2 2 NAG H83 H 1 2.008 0.005 . 1 . . . . 2 NAG H83 . 21032 1 26 . 1 1 2 2 NAG HN2 H 1 8.526 0.005 . 1 . . . . 2 NAG HN2 . 21032 1 27 . 1 1 2 2 NAG C1 C 13 103.670 0.050 . 1 . . . . 2 NAG C1 . 21032 1 28 . 1 1 2 2 NAG C2 C 13 58.327 0.050 . 1 . . . . 2 NAG C2 . 21032 1 29 . 1 1 2 2 NAG C3 C 13 77.511 0.050 . 1 . . . . 2 NAG C3 . 21032 1 30 . 1 1 2 2 NAG C4 C 13 76.215 0.050 . 1 . . . . 2 NAG C4 . 21032 1 31 . 1 1 2 2 NAG C5 C 13 77.897 0.050 . 1 . . . . 2 NAG C5 . 21032 1 32 . 1 1 2 2 NAG C6 C 13 62.502 0.050 . 1 . . . . 2 NAG C6 . 21032 1 33 . 1 1 2 2 NAG C8 C 13 24.850 0.050 . 1 . . . . 2 NAG C8 . 21032 1 34 . 1 1 3 3 NAG H1 H 1 4.516 0.005 . 1 . . . . 3 NAG H1 . 21032 1 35 . 1 1 3 3 NAG H2 H 1 3.747 0.005 . 1 . . . . 3 NAG H2 . 21032 1 36 . 1 1 3 3 NAG H3 H 1 3.523 0.005 . 1 . . . . 3 NAG H3 . 21032 1 37 . 1 1 3 3 NAG H4 H 1 3.228 0.005 . 1 . . . . 3 NAG H4 . 21032 1 38 . 1 1 3 3 NAG H5 H 1 3.420 0.005 . 1 . . . . 3 NAG H5 . 21032 1 39 . 1 1 3 3 NAG H61 H 1 3.959 0.005 . 2 . . . . 3 NAG H61 . 21032 1 40 . 1 1 3 3 NAG H62 H 1 3.599 0.005 . 2 . . . . 3 NAG H62 . 21032 1 41 . 1 1 3 3 NAG H81 H 1 2.038 0.005 . 1 . . . . 3 NAG H81 . 21032 1 42 . 1 1 3 3 NAG H82 H 1 2.038 0.005 . 1 . . . . 3 NAG H82 . 21032 1 43 . 1 1 3 3 NAG H83 H 1 2.038 0.005 . 1 . . . . 3 NAG H83 . 21032 1 44 . 1 1 3 3 NAG HN2 H 1 8.553 0.005 . 1 . . . . 3 NAG HN2 . 21032 1 45 . 1 1 3 3 NAG C1 C 13 103.095 0.050 . 1 . . . . 3 NAG C1 . 21032 1 46 . 1 1 3 3 NAG C2 C 13 58.419 0.050 . 1 . . . . 3 NAG C2 . 21032 1 47 . 1 1 3 3 NAG C3 C 13 76.256 0.050 . 1 . . . . 3 NAG C3 . 21032 1 48 . 1 1 3 3 NAG C4 C 13 73.278 0.050 . 1 . . . . 3 NAG C4 . 21032 1 49 . 1 1 3 3 NAG C5 C 13 78.728 0.050 . 1 . . . . 3 NAG C5 . 21032 1 50 . 1 1 3 3 NAG C6 C 13 64.237 0.050 . 1 . . . . 3 NAG C6 . 21032 1 51 . 1 1 3 3 NAG C8 C 13 24.687 0.050 . 1 . . . . 3 NAG C8 . 21032 1 52 . 1 1 4 4 FUC H1 H 1 5.121 0.005 . 1 . . . . 4 FUC H1 . 21032 1 53 . 1 1 4 4 FUC H2 H 1 3.681 0.005 . 1 . . . . 4 FUC H2 . 21032 1 54 . 1 1 4 4 FUC H3 H 1 3.954 0.005 . 1 . . . . 4 FUC H3 . 21032 1 55 . 1 1 4 4 FUC H4 H 1 3.799 0.005 . 1 . . . . 4 FUC H4 . 21032 1 56 . 1 1 4 4 FUC H5 H 1 4.776 0.005 . 1 . . . . 4 FUC H5 . 21032 1 57 . 1 1 4 4 FUC H61 H 1 1.262 0.005 . 1 . . . . 4 FUC H61 . 21032 1 58 . 1 1 4 4 FUC H62 H 1 1.262 0.005 . 1 . . . . 4 FUC H62 . 21032 1 59 . 1 1 4 4 FUC H63 H 1 1.262 0.005 . 1 . . . . 4 FUC H63 . 21032 1 60 . 1 1 4 4 FUC C1 C 13 101.286 0.050 . 1 . . . . 4 FUC C1 . 21032 1 61 . 1 1 4 4 FUC C2 C 13 70.287 0.050 . 1 . . . . 4 FUC C2 . 21032 1 62 . 1 1 4 4 FUC C3 C 13 71.803 0.050 . 1 . . . . 4 FUC C3 . 21032 1 63 . 1 1 4 4 FUC C4 C 13 74.659 0.050 . 1 . . . . 4 FUC C4 . 21032 1 64 . 1 1 4 4 FUC C5 C 13 69.361 0.050 . 1 . . . . 4 FUC C5 . 21032 1 65 . 1 1 4 4 FUC C6 C 13 18.152 0.050 . 1 . . . . 4 FUC C6 . 21032 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 21032 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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 4 '2D 1H-13C HSQC' 1 $sample_1 isotropic 21032 2 5 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 21032 2 6 '2D 1H-13C HSQC long range' 1 $sample_1 isotropic 21032 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 6HH H21 H 1 2.341 0.005 . 1 . . . . 1 6HH H21 . 21032 2 2 . 1 1 1 1 6HH H22 H 1 2.341 0.005 . 1 . . . . 1 6HH H22 . 21032 2 3 . 1 1 1 1 6HH H31 H 1 1.597 0.005 . 1 . . . . 1 6HH H31 . 21032 2 4 . 1 1 1 1 6HH H32 H 1 1.597 0.005 . 1 . . . . 1 6HH H32 . 21032 2 5 . 1 1 1 1 6HH H41 H 1 1.336 0.005 . 1 . . . . 1 6HH H41 . 21032 2 6 . 1 1 1 1 6HH H42 H 1 1.336 0.005 . 1 . . . . 1 6HH H42 . 21032 2 7 . 1 1 1 1 6HH H51 H 1 1.563 0.005 . 1 . . . . 1 6HH H51 . 21032 2 8 . 1 1 1 1 6HH H52 H 1 1.563 0.005 . 1 . . . . 1 6HH H52 . 21032 2 9 . 1 1 1 1 6HH H61 H 1 3.882 0.005 . 2 . . . . 1 6HH H61 . 21032 2 10 . 1 1 1 1 6HH H62 H 1 3.572 0.005 . 2 . . . . 1 6HH H62 . 21032 2 11 . 1 1 1 1 6HH C2 C 13 37.393 0.050 . 1 . . . . 1 6HH C2 . 21032 2 12 . 1 1 1 1 6HH C3 C 13 27.039 0.050 . 1 . . . . 1 6HH C3 . 21032 2 13 . 1 1 1 1 6HH C4 C 13 27.487 0.050 . 1 . . . . 1 6HH C4 . 21032 2 14 . 1 1 1 1 6HH C5 C 13 31.020 0.050 . 1 . . . . 1 6HH C5 . 21032 2 15 . 1 1 1 1 6HH C6 C 13 73.099 0.050 . 1 . . . . 1 6HH C6 . 21032 2 16 . 1 1 2 2 NAG H1 H 1 4.498 0.005 . 1 . . . . 2 NAG H1 . 21032 2 17 . 1 1 2 2 NAG H2 H 1 3.882 0.005 . 1 . . . . 2 NAG H2 . 21032 2 18 . 1 1 2 2 NAG H3 H 1 3.851 0.005 . 1 . . . . 2 NAG H3 . 21032 2 19 . 1 1 2 2 NAG H4 H 1 3.881 0.005 . 1 . . . . 2 NAG H4 . 21032 2 20 . 1 1 2 2 NAG H5 H 1 3.500 0.005 . 1 . . . . 2 NAG H5 . 21032 2 21 . 1 1 2 2 NAG H61 H 1 3.746 0.005 . 2 . . . . 2 NAG H61 . 21032 2 22 . 1 1 2 2 NAG H62 H 1 3.926 0.005 . 2 . . . . 2 NAG H62 . 21032 2 23 . 1 1 2 2 NAG H81 H 1 2.022 0.005 . 1 . . . . 2 NAG H81 . 21032 2 24 . 1 1 2 2 NAG H82 H 1 2.022 0.005 . 1 . . . . 2 NAG H82 . 21032 2 25 . 1 1 2 2 NAG H83 H 1 2.022 0.005 . 1 . . . . 2 NAG H83 . 21032 2 26 . 1 1 2 2 NAG C1 C 13 103.638 0.050 . 1 . . . . 2 NAG C1 . 21032 2 27 . 1 1 2 2 NAG C2 C 13 58.420 0.050 . 1 . . . . 2 NAG C2 . 21032 2 28 . 1 1 2 2 NAG C3 C 13 77.647 0.050 . 1 . . . . 2 NAG C3 . 21032 2 29 . 1 1 2 2 NAG C4 C 13 76.474 0.050 . 1 . . . . 2 NAG C4 . 21032 2 30 . 1 1 2 2 NAG C5 C 13 78.160 0.050 . 1 . . . . 2 NAG C5 . 21032 2 31 . 1 1 2 2 NAG C6 C 13 62.821 0.050 . 1 . . . . 2 NAG C6 . 21032 2 32 . 1 1 2 2 NAG C7 C 13 176.857 0.050 . 1 . . . . 2 NAG C7 . 21032 2 33 . 1 1 2 2 NAG C8 C 13 25.014 0.050 . 1 . . . . 2 NAG C8 . 21032 2 34 . 1 1 3 3 NAG H1 H 1 4.526 0.005 . 1 . . . . 3 NAG H1 . 21032 2 35 . 1 1 3 3 NAG H2 H 1 3.730 0.005 . 1 . . . . 3 NAG H2 . 21032 2 36 . 1 1 3 3 NAG H3 H 1 3.553 0.005 . 1 . . . . 3 NAG H3 . 21032 2 37 . 1 1 3 3 NAG H4 H 1 3.256 0.005 . 1 . . . . 3 NAG H4 . 21032 2 38 . 1 1 3 3 NAG H5 H 1 3.430 0.005 . 1 . . . . 3 NAG H5 . 21032 2 39 . 1 1 3 3 NAG H61 H 1 3.959 0.005 . 2 . . . . 3 NAG H61 . 21032 2 40 . 1 1 3 3 NAG H62 H 1 3.622 0.005 . 2 . . . . 3 NAG H62 . 21032 2 41 . 1 1 3 3 NAG H81 H 1 2.053 0.005 . 1 . . . . 3 NAG H81 . 21032 2 42 . 1 1 3 3 NAG H82 H 1 2.053 0.005 . 1 . . . . 3 NAG H82 . 21032 2 43 . 1 1 3 3 NAG H83 H 1 2.053 0.005 . 1 . . . . 3 NAG H83 . 21032 2 44 . 1 1 3 3 NAG C1 C 13 103.152 0.050 . 1 . . . . 3 NAG C1 . 21032 2 45 . 1 1 3 3 NAG C2 C 13 58.569 0.050 . 1 . . . . 3 NAG C2 . 21032 2 46 . 1 1 3 3 NAG C3 C 13 76.418 0.050 . 1 . . . . 3 NAG C3 . 21032 2 47 . 1 1 3 3 NAG C4 C 13 73.520 0.050 . 1 . . . . 3 NAG C4 . 21032 2 48 . 1 1 3 3 NAG C5 C 13 78.691 0.050 . 1 . . . . 3 NAG C5 . 21032 2 49 . 1 1 3 3 NAG C6 C 13 64.371 0.050 . 1 . . . . 3 NAG C6 . 21032 2 50 . 1 1 3 3 NAG C7 C 13 177.291 0.050 . 1 . . . . 3 NAG C7 . 21032 2 51 . 1 1 3 3 NAG C8 C 13 24.888 0.050 . 1 . . . . 3 NAG C8 . 21032 2 52 . 1 1 4 4 FUC H1 H 1 5.124 0.005 . 1 . . . . 4 FUC H1 . 21032 2 53 . 1 1 4 4 FUC H2 H 1 3.711 0.005 . 1 . . . . 4 FUC H2 . 21032 2 54 . 1 1 4 4 FUC H3 H 1 3.949 0.005 . 1 . . . . 4 FUC H3 . 21032 2 55 . 1 1 4 4 FUC H4 H 1 3.807 0.005 . 1 . . . . 4 FUC H4 . 21032 2 56 . 1 1 4 4 FUC H5 H 1 4.737 0.005 . 1 . . . . 4 FUC H5 . 21032 2 57 . 1 1 4 4 FUC H61 H 1 1.270 0.005 . 1 . . . . 4 FUC H61 . 21032 2 58 . 1 1 4 4 FUC H62 H 1 1.270 0.005 . 1 . . . . 4 FUC H62 . 21032 2 59 . 1 1 4 4 FUC H63 H 1 1.270 0.005 . 1 . . . . 4 FUC H63 . 21032 2 60 . 1 1 4 4 FUC C1 C 13 101.192 0.050 . 1 . . . . 4 FUC C1 . 21032 2 61 . 1 1 4 4 FUC C2 C 13 70.527 0.050 . 1 . . . . 4 FUC C2 . 21032 2 62 . 1 1 4 4 FUC C3 C 13 72.006 0.050 . 1 . . . . 4 FUC C3 . 21032 2 63 . 1 1 4 4 FUC C4 C 13 74.802 0.050 . 1 . . . . 4 FUC C4 . 21032 2 64 . 1 1 4 4 FUC C5 C 13 69.415 0.050 . 1 . . . . 4 FUC C5 . 21032 2 65 . 1 1 4 4 FUC C6 C 13 18.246 0.050 . 1 . . . . 4 FUC C6 . 21032 2 stop_ save_