################################### # 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 51998 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'holo state aptazyme' _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-15N HSQC' . . . 51998 1 2 '2D 1H-15N TROSY' . . . 51998 1 5 '2D HNN COSY' . . . 51998 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 . . 51998 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 12.785 0.003 . . . 4 . . . 8 G H1 . 51998 1 2 . 1 . 1 1 1 G N1 N 15 147.160 0.000 . . . 2 . . . 8 G N1 . 51998 1 3 . 1 . 1 2 2 C N3 N 15 197.212 0.018 . . . 2 . . . 9 C N3 . 51998 1 4 . 1 . 1 3 3 A N1 N 15 220.082 0.090 . . . 2 . . . 10 A N1 . 51998 1 5 . 1 . 1 4 4 G H1 H 1 12.865 0.013 . . . 4 . . . 11 G H1 . 51998 1 6 . 1 . 1 4 4 G N1 N 15 147.165 0.025 . . . 2 . . . 11 G N1 . 51998 1 7 . 1 . 1 5 5 G H1 H 1 13.136 0.007 . . . 4 . . . 12 G H1 . 51998 1 8 . 1 . 1 5 5 G N1 N 15 148.301 0.010 . . . 2 . . . 12 G N1 . 51998 1 9 . 1 . 1 6 6 U H3 H 1 12.442 0.009 . . . 4 . . . 13 U H3 . 51998 1 10 . 1 . 1 6 6 U N3 N 15 160.603 0.021 . . . 2 . . . 13 U N3 . 51998 1 11 . 1 . 1 9 9 A N1 N 15 223.111 0.000 . . . 1 . . . 16 A N1 . 51998 1 12 . 1 . 1 10 10 U H3 H 1 14.040 0.007 . . . 4 . . . 17 U H3 . 51998 1 13 . 1 . 1 10 10 U N3 N 15 162.595 0.033 . . . 2 . . . 17 U N3 . 51998 1 14 . 1 . 1 11 11 C N3 N 15 197.817 0.141 . . . 2 . . . 18 C N3 . 51998 1 15 . 1 . 1 12 12 C N3 N 15 198.122 0.163 . . . 2 . . . 19 C N3 . 51998 1 16 . 1 . 1 13 13 A N1 N 15 221.303 0.000 . . . 1 . . . 20 A N1 . 51998 1 17 . 1 . 1 14 14 G H1 H 1 12.443 0.003 . . . 3 . . . 21 G H1 . 51998 1 18 . 1 . 1 14 14 G N1 N 15 147.017 0.018 . . . 2 . . . 21 G N1 . 51998 1 19 . 1 . 1 15 15 C N3 N 15 196.604 0.000 . . . 1 . . . 22 C N3 . 51998 1 20 . 1 . 1 20 20 G H1 H 1 12.899 0.035 . . . 3 . . . 27 G H1 . 51998 1 21 . 1 . 1 20 20 G N1 N 15 148.054 0.013 . . . 2 . . . 27 G N1 . 51998 1 22 . 1 . 1 22 22 G H1 H 1 13.449 0.010 . . . 4 . . . 29 G H1 . 51998 1 23 . 1 . 1 22 22 G N1 N 15 148.122 0.009 . . . 2 . . . 29 G N1 . 51998 1 24 . 1 . 1 23 23 U H3 H 1 13.645 0.020 . . . 4 . . . 30 U H3 . 51998 1 25 . 1 . 1 23 23 U N3 N 15 162.169 0.005 . . . 2 . . . 30 U N3 . 51998 1 26 . 1 . 1 24 24 C N3 N 15 195.559 0.122 . . . 2 . . . 31 C N3 . 51998 1 27 . 1 . 1 25 25 C N3 N 15 196.610 0.000 . . . 1 . . . 32 C N3 . 51998 1 28 . 1 . 1 28 28 A N7 N 15 229.215 0.087 . . . 2 . . . 35 A N7 . 51998 1 29 . 1 . 1 31 31 A N7 N 15 230.730 0.000 . . . 1 . . . 38 A N7 . 51998 1 30 . 1 . 1 32 32 G H1 H 1 12.380 0.007 . . . 3 . . . 39 G H1 . 51998 1 31 . 1 . 1 32 32 G N1 N 15 146.583 0.007 . . . 2 . . . 39 G N1 . 51998 1 32 . 1 . 1 33 33 G H1 H 1 11.936 0.005 . . . 4 . . . 40 G H1 . 51998 1 33 . 1 . 1 33 33 G N1 N 15 146.122 0.008 . . . 2 . . . 40 G N1 . 51998 1 34 . 1 . 1 34 34 A N1 N 15 220.065 0.109 . . . 2 . . . 41 A N1 . 51998 1 35 . 1 . 1 35 35 C N3 N 15 198.059 0.430 . . . 2 . . . 42 C N3 . 51998 1 36 . 1 . 1 39 39 A N1 N 15 220.010 0.000 . . . 1 . . . 46 A N1 . 51998 1 37 . 1 . 1 41 41 G H1 H 1 9.571 0.003 . . . 2 . . . 48 G H1 . 51998 1 38 . 1 . 1 41 41 G N1 N 15 144.334 0.017 . . . 2 . . . 48 G N1 . 51998 1 39 . 1 . 1 42 42 G H1 H 1 12.199 0.016 . . . 4 . . . 49 G H1 . 51998 1 40 . 1 . 1 42 42 G N1 N 15 146.928 0.002 . . . 2 . . . 49 G N1 . 51998 1 41 . 1 . 1 43 43 G H1 H 1 12.775 0.010 . . . 4 . . . 50 G H1 . 51998 1 42 . 1 . 1 43 43 G N1 N 15 147.368 0.014 . . . 2 . . . 50 G N1 . 51998 1 43 . 1 . 1 45 45 G H1 H 1 10.452 0.002 . . . 2 . . . 52 G H1 . 51998 1 44 . 1 . 1 45 45 G N1 N 15 145.882 0.002 . . . 2 . . . 52 G N1 . 51998 1 45 . 1 . 1 47 47 G H1 H 1 13.055 0.003 . . . 4 . . . 54 G H1 . 51998 1 46 . 1 . 1 47 47 G N1 N 15 147.387 0.018 . . . 2 . . . 54 G N1 . 51998 1 47 . 1 . 1 48 48 G H1 H 1 13.165 0.001 . . . 4 . . . 55 G H1 . 51998 1 48 . 1 . 1 48 48 G N1 N 15 147.892 0.015 . . . 2 . . . 55 G N1 . 51998 1 49 . 1 . 1 49 49 U H3 H 1 13.620 0.010 . . . 4 . . . 56 U H3 . 51998 1 50 . 1 . 1 49 49 U N3 N 15 161.649 0.017 . . . 2 . . . 56 U N3 . 51998 1 51 . 1 . 1 50 50 G H1 H 1 11.929 0.011 . . . 4 . . . 57 G H1 . 51998 1 52 . 1 . 1 50 50 G N1 N 15 146.036 0.023 . . . 2 . . . 57 G N1 . 51998 1 53 . 1 . 1 62 62 C N3 N 15 197.633 0.005 . . . 2 . . . 69 C N3 . 51998 1 54 . 1 . 1 63 63 A N1 N 15 220.221 0.031 . . . 2 . . . 70 A N1 . 51998 1 55 . 1 . 1 64 64 C N3 N 15 198.011 0.051 . . . 2 . . . 71 C N3 . 51998 1 56 . 1 . 1 65 65 C N3 N 15 196.716 0.003 . . . 2 . . . 72 C N3 . 51998 1 57 . 1 . 1 66 66 U H3 H 1 12.631 0.005 . . . 4 . . . 73 U H3 . 51998 1 58 . 1 . 1 66 66 U N3 N 15 161.459 0.014 . . . 2 . . . 73 U N3 . 51998 1 59 . 1 . 1 67 67 A N1 N 15 220.737 0.061 . . . 2 . . . 74 A N1 . 51998 1 60 . 1 . 1 68 68 G H1 H 1 12.853 0.004 . . . 4 . . . 75 G H1 . 51998 1 61 . 1 . 1 68 68 G N1 N 15 147.095 0.013 . . . 2 . . . 75 G N1 . 51998 1 62 . 1 . 1 69 69 G H1 H 1 13.261 0.005 . . . 4 . . . 76 G H1 . 51998 1 63 . 1 . 1 69 69 G N1 N 15 148.757 0.009 . . . 2 . . . 76 G N1 . 51998 1 64 . 1 . 1 70 70 C N3 N 15 197.740 0.062 . . . 2 . . . 77 C N3 . 51998 1 65 . 1 . 1 71 71 U H3 H 1 14.077 0.001 . . . 4 . . . 78 U H3 . 51998 1 66 . 1 . 1 71 71 U N3 N 15 162.812 0.029 . . . 2 . . . 78 U N3 . 51998 1 67 . 1 . 1 72 72 C N3 N 15 196.100 0.035 . . . 2 . . . 79 C N3 . 51998 1 68 . 1 . 1 77 77 G H1 H 1 12.111 0.004 . . . 4 . . . 84 G H1 . 51998 1 69 . 1 . 1 77 77 G N1 N 15 146.520 0.011 . . . 2 . . . 84 G N1 . 51998 1 70 . 1 . 1 78 78 A N1 N 15 221.334 0.014 . . . 2 . . . 85 A N1 . 51998 1 71 . 1 . 1 79 79 G H1 H 1 13.385 0.001 . . . 4 . . . 86 G H1 . 51998 1 72 . 1 . 1 79 79 G N1 N 15 148.498 0.010 . . . 2 . . . 86 G N1 . 51998 1 73 . 1 . 1 80 80 C N3 N 15 197.897 0.055 . . . 2 . . . 87 C N3 . 51998 1 74 . 1 . 1 81 81 C N3 N 15 196.457 0.067 . . . 2 . . . 88 C N3 . 51998 1 75 . 1 . 1 82 82 U H3 H 1 13.707 0.005 . . . 4 . . . 89 U H3 . 51998 1 76 . 1 . 1 82 82 U N3 N 15 161.922 0.040 . . . 2 . . . 89 U N3 . 51998 1 77 . 1 . 1 83 83 A N1 N 15 222.178 0.061 . . . 2 . . . 90 A N1 . 51998 1 78 . 1 . 1 91 91 C N3 N 15 196.459 0.071 . . . 2 . . . 98 C N3 . 51998 1 79 . 1 . 1 92 92 C N3 N 15 199.167 0.002 . . . 2 . . . 99 C N3 . 51998 1 80 . 1 . 1 93 93 U H3 H 1 10.853 0.001 . . . 2 . . . 100 U H3 . 51998 1 81 . 1 . 1 93 93 U N3 N 15 156.787 0.003 . . . 2 . . . 100 U N3 . 51998 1 82 . 1 . 1 94 94 U H3 H 1 13.818 0.000 . . . 2 . . . 101 U H3 . 51998 1 83 . 1 . 1 94 94 U N3 N 15 161.763 0.010 . . . 2 . . . 101 U N3 . 51998 1 84 . 1 . 1 95 95 U H3 H 1 13.500 0.007 . . . 3 . . . 102 U H3 . 51998 1 85 . 1 . 1 95 95 U N3 N 15 160.746 0.011 . . . 2 . . . 102 U N3 . 51998 1 86 . 1 . 1 97 97 C N3 N 15 197.653 0.000 . . . 1 . . . 104 C N3 . 51998 1 87 . 1 . 1 98 98 U H3 H 1 14.098 0.007 . . . 3 . . . 105 U H3 . 51998 1 88 . 1 . 1 98 98 U N3 N 15 162.265 0.020 . . . 2 . . . 105 U N3 . 51998 1 89 . 1 . 1 99 99 G H1 H 1 12.379 0.006 . . . 4 . . . 106 G H1 . 51998 1 90 . 1 . 1 99 99 G N1 N 15 147.236 0.036 . . . 2 . . . 106 G N1 . 51998 1 91 . 1 . 1 100 100 G H1 H 1 12.402 0.013 . . . 4 . . . 107 G H1 . 51998 1 92 . 1 . 1 100 100 G N1 N 15 146.572 0.006 . . . 2 . . . 107 G N1 . 51998 1 93 . 1 . 1 101 101 A N1 N 15 222.974 0.038 . . . 2 . . . 108 A N1 . 51998 1 94 . 1 . 1 102 102 U H3 H 1 13.777 0.007 . . . 3 . . . 109 U H3 . 51998 1 95 . 1 . 1 102 102 U N3 N 15 161.468 0.030 . . . 2 . . . 109 U N3 . 51998 1 96 . 1 . 1 103 103 U H3 H 1 13.310 0.034 . . . 3 . . . 110 U H3 . 51998 1 97 . 1 . 1 103 103 U N3 N 15 160.700 0.012 . . . 2 . . . 110 U N3 . 51998 1 98 . 1 . 1 104 104 C N3 N 15 198.293 0.008 . . . 2 . . . 111 C N3 . 51998 1 99 . 1 . 1 105 105 C N3 N 15 196.486 0.041 . . . 2 . . . 112 C N3 . 51998 1 100 . 1 . 1 106 106 U H3 H 1 13.407 0.003 . . . 4 . . . 113 U H3 . 51998 1 101 . 1 . 1 106 106 U N3 N 15 161.809 0.008 . . . 2 . . . 113 U N3 . 51998 1 102 . 1 . 1 107 107 G H1 H 1 12.650 0.012 . . . 4 . . . 114 G H1 . 51998 1 103 . 1 . 1 107 107 G N1 N 15 147.449 0.000 . . . 2 . . . 114 G N1 . 51998 1 104 . 1 . 1 108 108 C N3 N 15 196.116 0.037 . . . 2 . . . 115 C N3 . 51998 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 51998 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'holo state aptazyme' _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-15N HSQC' . . . 51998 2 2 '2D 1H-15N TROSY' . . . 51998 2 5 '2D HNN COSY' . . . 51998 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 . . 51998 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 9 9 A N1 N 15 223.277 0.135 . . . 2 . . . 16 A N1 . 51998 2 2 . 1 . 1 14 14 G H1 H 1 12.470 0.002 . . . 2 . . . 21 G H1 . 51998 2 3 . 1 . 1 14 14 G N1 N 15 147.177 0.015 . . . 2 . . . 21 G N1 . 51998 2 4 . 1 . 1 20 20 G H1 H 1 12.945 0.002 . . . 2 . . . 27 G H1 . 51998 2 5 . 1 . 1 20 20 G N1 N 15 147.871 0.021 . . . 2 . . . 27 G N1 . 51998 2 6 . 1 . 1 22 22 G H1 H 1 13.574 0.001 . . . 2 . . . 29 G H1 . 51998 2 7 . 1 . 1 22 22 G N1 N 15 148.276 0.020 . . . 2 . . . 29 G N1 . 51998 2 8 . 1 . 1 31 31 A N7 N 15 230.618 0.000 . . . 1 . . . 38 A N7 . 51998 2 9 . 1 . 1 67 67 A N1 N 15 220.707 0.000 . . . 1 . . . 74 A N1 . 51998 2 10 . 1 . 1 68 68 G H1 H 1 12.760 0.000 . . . 2 . . . 75 G H1 . 51998 2 11 . 1 . 1 68 68 G N1 N 15 147.212 0.010 . . . 2 . . . 75 G N1 . 51998 2 12 . 1 . 1 82 82 U H3 H 1 13.818 0.000 . . . 3 . . . 89 U H3 . 51998 2 13 . 1 . 1 82 82 U N3 N 15 161.753 0.000 . . . 2 . . . 89 U N3 . 51998 2 14 . 1 . 1 98 98 U H3 H 1 14.279 0.002 . . . 2 . . . 105 U H3 . 51998 2 15 . 1 . 1 98 98 U N3 N 15 162.726 0.017 . . . 2 . . . 105 U N3 . 51998 2 16 . 1 . 1 99 99 G H1 H 1 12.387 0.002 . . . 2 . . . 106 G H1 . 51998 2 17 . 1 . 1 99 99 G N1 N 15 147.447 0.002 . . . 2 . . . 106 G N1 . 51998 2 18 . 1 . 1 102 102 U H3 H 1 13.869 0.004 . . . 4 . . . 109 U H3 . 51998 2 19 . 1 . 1 102 102 U N3 N 15 161.603 0.038 . . . 2 . . . 109 U N3 . 51998 2 20 . 1 . 1 103 103 U H3 H 1 13.289 0.044 . . . 3 . . . 110 U H3 . 51998 2 21 . 1 . 1 103 103 U N3 N 15 160.628 0.000 . . . 2 . . . 110 U N3 . 51998 2 stop_ save_