################################### # 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 4604 _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_ref_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 $sample_1 . 4604 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 ACE H1 H 1 2.14 0.01 . 1 . . . . . . . . 4604 1 2 . 1 1 1 1 ACE H2 H 1 2.14 0.01 . 1 . . . . . . . . 4604 1 3 . 1 1 1 1 ACE H3 H 1 2.14 0.01 . 1 . . . . . . . . 4604 1 4 . 1 1 2 2 PHE H H 1 8.86 0.01 . 1 . . . . . . . . 4604 1 5 . 1 1 2 2 PHE HA H 1 4.20 0.01 . 1 . . . . . . . . 4604 1 6 . 1 1 2 2 PHE CB C 13 39.9 0.2 . 1 . . . . . . . . 4604 1 7 . 1 1 2 2 PHE HB2 H 1 3.20 0.01 . 2 . . . . . . . . 4604 1 8 . 1 1 2 2 PHE HB3 H 1 3.01 0.01 . 2 . . . . . . . . 4604 1 9 . 1 1 2 2 PHE CG C 13 139.4 0.2 . 1 . . . . . . . . 4604 1 10 . 1 1 2 2 PHE CD1 C 13 132.1 0.2 . 1 . . . . . . . . 4604 1 11 . 1 1 2 2 PHE HD1 H 1 7.23 0.01 . 1 . . . . . . . . 4604 1 12 . 1 1 2 2 PHE CE1 C 13 130.8 0.2 . 1 . . . . . . . . 4604 1 13 . 1 1 2 2 PHE HE1 H 1 7.20 0.01 . 1 . . . . . . . . 4604 1 14 . 1 1 2 2 PHE CZ C 13 129.1 0.2 . 1 . . . . . . . . 4604 1 15 . 1 1 2 2 PHE HZ H 1 7.12 0.01 . 1 . . . . . . . . 4604 1 16 . 1 1 2 2 PHE CE2 C 13 130.8 0.2 . 1 . . . . . . . . 4604 1 17 . 1 1 2 2 PHE HE2 H 1 7.20 0.01 . 1 . . . . . . . . 4604 1 18 . 1 1 2 2 PHE CD2 C 13 132.1 0.2 . 1 . . . . . . . . 4604 1 19 . 1 1 2 2 PHE HD2 H 1 7.23 0.01 . 1 . . . . . . . . 4604 1 20 . 1 1 3 3 AIB H H 1 8.72 0.01 . 1 . . . . . . . . 4604 1 21 . 1 1 3 3 AIB CA C 13 58.5 0.2 . 1 . . . . . . . . 4604 1 22 . 1 1 3 3 AIB HB11 H 1 1.45 0.01 . 2 . . . . . . . . 4604 1 23 . 1 1 3 3 AIB CB1 C 13 28.7 0.2 . 1 . . . . . . . . 4604 1 24 . 1 1 3 3 AIB HB21 H 1 1.31 0.01 . 2 . . . . . . . . 4604 1 25 . 1 1 3 3 AIB CB2 C 13 25.7 0.2 . 1 . . . . . . . . 4604 1 26 . 1 1 3 3 AIB C C 13 179.2 0.2 . 1 . . . . . . . . 4604 1 27 . 1 1 4 4 SER H H 1 7.51 0.01 . 1 . . . . . . . . 4604 1 28 . 1 1 4 4 SER HA H 1 4.04 0.01 . 1 . . . . . . . . 4604 1 29 . 1 1 4 4 SER CB C 13 63.1 0.2 . 1 . . . . . . . . 4604 1 30 . 1 1 4 4 SER HB2 H 1 3.84 0.01 . 1 . . . . . . . . 4604 1 31 . 1 1 4 4 SER HB3 H 1 3.84 0.01 . 1 . . . . . . . . 4604 1 32 . 1 1 5 5 AIB H H 1 7.93 0.01 . 1 . . . . . . . . 4604 1 33 . 1 1 5 5 AIB CA C 13 58.9 0.2 . 1 . . . . . . . . 4604 1 34 . 1 1 5 5 AIB HB11 H 1 1.48 0.01 . 2 . . . . . . . . 4604 1 35 . 1 1 5 5 AIB CB1 C 13 29.1 0.2 . 1 . . . . . . . . 4604 1 36 . 1 1 5 5 AIB HB21 H 1 1.40 0.01 . 2 . . . . . . . . 4604 1 37 . 1 1 5 5 AIB CB2 C 13 24.8 0.2 . 1 . . . . . . . . 4604 1 38 . 1 1 5 5 AIB C C 13 179.8 0.2 . 1 . . . . . . . . 4604 1 39 . 1 1 6 6 DIV H H 1 8.06 0.01 . 1 . . . . . . . . 4604 1 40 . 1 1 6 6 DIV CA C 13 61.3 0.2 . 1 . . . . . . . . 4604 1 41 . 1 1 6 6 DIV HB11 H 1 1.19 0.01 . 1 . . . . . . . . 4604 1 42 . 1 1 6 6 DIV CB1 C 13 25.2 0.2 . 1 . . . . . . . . 4604 1 43 . 1 1 6 6 DIV CB2 C 13 27.9 0.2 . 1 . . . . . . . . 4604 1 44 . 1 1 6 6 DIV HB22 H 1 2.23 0.01 . 2 . . . . . . . . 4604 1 45 . 1 1 6 6 DIV HB23 H 1 1.59 0.01 . 2 . . . . . . . . 4604 1 46 . 1 1 6 6 DIV HG11 H 1 0.63 0.01 . 1 . . . . . . . . 4604 1 47 . 1 1 6 6 DIV HG12 H 1 0.63 0.01 . 1 . . . . . . . . 4604 1 48 . 1 1 6 6 DIV HG13 H 1 0.63 0.01 . 1 . . . . . . . . 4604 1 49 . 1 1 6 6 DIV CG1 C 13 9.7 0.2 . 1 . . . . . . . . 4604 1 50 . 1 1 6 6 DIV C C 13 180.5 0.2 . 1 . . . . . . . . 4604 1 51 . 1 1 7 7 LEU H H 1 7.61 0.01 . 1 . . . . . . . . 4604 1 52 . 1 1 7 7 LEU CA C 13 58.1 0.2 . 1 . . . . . . . . 4604 1 53 . 1 1 7 7 LEU HA H 1 4.00 0.01 . 1 . . . . . . . . 4604 1 54 . 1 1 7 7 LEU CB C 13 41.8 0.2 . 1 . . . . . . . . 4604 1 55 . 1 1 7 7 LEU HB2 H 1 1.89 0.01 . 2 . . . . . . . . 4604 1 56 . 1 1 7 7 LEU HB3 H 1 1.67 0.01 . 2 . . . . . . . . 4604 1 57 . 1 1 7 7 LEU CG C 13 27.4 0.2 . 1 . . . . . . . . 4604 1 58 . 1 1 7 7 LEU HG H 1 1.90 0.01 . 1 . . . . . . . . 4604 1 59 . 1 1 7 7 LEU HD11 H 1 0.89 0.01 . 2 . . . . . . . . 4604 1 60 . 1 1 7 7 LEU HD12 H 1 0.89 0.01 . 2 . . . . . . . . 4604 1 61 . 1 1 7 7 LEU HD13 H 1 0.89 0.01 . 2 . . . . . . . . 4604 1 62 . 1 1 7 7 LEU HD21 H 1 0.95 0.01 . 2 . . . . . . . . 4604 1 63 . 1 1 7 7 LEU HD22 H 1 0.95 0.01 . 2 . . . . . . . . 4604 1 64 . 1 1 7 7 LEU HD23 H 1 0.95 0.01 . 2 . . . . . . . . 4604 1 65 . 1 1 7 7 LEU CD1 C 13 23.9 0.2 . 1 . . . . . . . . 4604 1 66 . 1 1 7 7 LEU CD2 C 13 25.2 0.2 . 1 . . . . . . . . 4604 1 67 . 1 1 8 8 GLN H H 1 7.93 0.01 . 1 . . . . . . . . 4604 1 68 . 1 1 8 8 GLN HA H 1 4.11 0.01 . 1 . . . . . . . . 4604 1 69 . 1 1 8 8 GLN CB C 13 28.7 0.2 . 1 . . . . . . . . 4604 1 70 . 1 1 8 8 GLN HB2 H 1 2.12 0.01 . 2 . . . . . . . . 4604 1 71 . 1 1 8 8 GLN HB3 H 1 2.17 0.01 . 2 . . . . . . . . 4604 1 72 . 1 1 8 8 GLN CG C 13 34.4 0.2 . 1 . . . . . . . . 4604 1 73 . 1 1 8 8 GLN HG2 H 1 2.36 0.01 . 2 . . . . . . . . 4604 1 74 . 1 1 8 8 GLN HG3 H 1 2.51 0.01 . 2 . . . . . . . . 4604 1 75 . 1 1 8 8 GLN CD C 13 179.7 0.2 . 1 . . . . . . . . 4604 1 76 . 1 1 8 8 GLN HE21 H 1 6.70 0.01 . 2 . . . . . . . . 4604 1 77 . 1 1 8 8 GLN HE22 H 1 7.35 0.01 . 2 . . . . . . . . 4604 1 78 . 1 1 9 9 GLY H H 1 8.17 0.01 . 1 . . . . . . . . 4604 1 79 . 1 1 9 9 GLY HA2 H 1 3.83 0.01 . 2 . . . . . . . . 4604 1 80 . 1 1 9 9 GLY HA3 H 1 3.58 0.01 . 2 . . . . . . . . 4604 1 81 . 1 1 10 10 AIB H H 1 8.45 0.01 . 1 . . . . . . . . 4604 1 82 . 1 1 10 10 AIB CA C 13 58.7 0.2 . 1 . . . . . . . . 4604 1 83 . 1 1 10 10 AIB HB11 H 1 1.49 0.01 . 2 . . . . . . . . 4604 1 84 . 1 1 10 10 AIB CB1 C 13 28.8 0.2 . 1 . . . . . . . . 4604 1 85 . 1 1 10 10 AIB HB21 H 1 1.41 0.01 . 2 . . . . . . . . 4604 1 86 . 1 1 10 10 AIB CB2 C 13 25.3 0.2 . 1 . . . . . . . . 4604 1 87 . 1 1 10 10 AIB C C 13 178.3 0.2 . 1 . . . . . . . . 4604 1 88 . 1 1 10 10 AIB N N 15 132.0 0.2 . 1 . . . . . . . . 4604 1 89 . 1 1 11 11 AIB H H 1 7.91 0.01 . 1 . . . . . . . . 4604 1 90 . 1 1 11 11 AIB CA C 13 59.6 0.2 . 1 . . . . . . . . 4604 1 91 . 1 1 11 11 AIB HB11 H 1 1.53 0.01 . 2 . . . . . . . . 4604 1 92 . 1 1 11 11 AIB CB1 C 13 29.1 0.2 . 1 . . . . . . . . 4604 1 93 . 1 1 11 11 AIB HB21 H 1 1.50 0.01 . 2 . . . . . . . . 4604 1 94 . 1 1 11 11 AIB CB2 C 13 25.2 0.2 . 1 . . . . . . . . 4604 1 95 . 1 1 11 11 AIB C C 13 180.6 0.2 . 1 . . . . . . . . 4604 1 96 . 1 1 11 11 AIB N N 15 125.5 0.2 . 1 . . . . . . . . 4604 1 97 . 1 1 12 12 ALA H H 1 7.64 0.01 . 1 . . . . . . . . 4604 1 98 . 1 1 12 12 ALA CA C 13 54.1 0.2 . 1 . . . . . . . . 4604 1 99 . 1 1 12 12 ALA HA H 1 4.14 0.01 . 1 . . . . . . . . 4604 1 100 . 1 1 12 12 ALA HB1 H 1 1.53 0.01 . 1 . . . . . . . . 4604 1 101 . 1 1 12 12 ALA HB2 H 1 1.53 0.01 . 1 . . . . . . . . 4604 1 102 . 1 1 12 12 ALA HB3 H 1 1.53 0.01 . 1 . . . . . . . . 4604 1 103 . 1 1 12 12 ALA CB C 13 19.1 0.2 . 1 . . . . . . . . 4604 1 104 . 1 1 12 12 ALA C C 13 178.7 0.2 . 1 . . . . . . . . 4604 1 105 . 1 1 13 13 ALA H H 1 7.94 0.01 . 1 . . . . . . . . 4604 1 106 . 1 1 13 13 ALA CA C 13 52.3 0.2 . 1 . . . . . . . . 4604 1 107 . 1 1 13 13 ALA HA H 1 4.34 0.01 . 1 . . . . . . . . 4604 1 108 . 1 1 13 13 ALA HB1 H 1 1.43 0.01 . 1 . . . . . . . . 4604 1 109 . 1 1 13 13 ALA HB2 H 1 1.43 0.01 . 1 . . . . . . . . 4604 1 110 . 1 1 13 13 ALA HB3 H 1 1.43 0.01 . 1 . . . . . . . . 4604 1 111 . 1 1 13 13 ALA CB C 13 19.7 0.2 . 1 . . . . . . . . 4604 1 112 . 1 1 13 13 ALA C C 13 176.3 0.2 . 1 . . . . . . . . 4604 1 113 . 1 1 14 14 AIB H H 1 7.71 0.01 . 1 . . . . . . . . 4604 1 114 . 1 1 14 14 AIB CA C 13 59.0 0.2 . 1 . . . . . . . . 4604 1 115 . 1 1 14 14 AIB HB11 H 1 1.54 0.01 . 2 . . . . . . . . 4604 1 116 . 1 1 14 14 AIB CB1 C 13 28.1 0.2 . 1 . . . . . . . . 4604 1 117 . 1 1 14 14 AIB HB21 H 1 1.47 0.01 . 2 . . . . . . . . 4604 1 118 . 1 1 14 14 AIB CB2 C 13 26.1 0.2 . 1 . . . . . . . . 4604 1 119 . 1 1 14 14 AIB C C 13 176.5 0.2 . 1 . . . . . . . . 4604 1 120 . 1 1 14 14 AIB N N 15 128.7 0.2 . 1 . . . . . . . . 4604 1 121 . 1 1 15 15 PRO CD C 13 52.1 0.2 . 1 . . . . . . . . 4604 1 122 . 1 1 15 15 PRO HA H 1 4.25 0.01 . 1 . . . . . . . . 4604 1 123 . 1 1 15 15 PRO CB C 13 31.2 0.2 . 1 . . . . . . . . 4604 1 124 . 1 1 15 15 PRO HB2 H 1 2.39 0.01 . 2 . . . . . . . . 4604 1 125 . 1 1 15 15 PRO HB3 H 1 1.73 0.01 . 2 . . . . . . . . 4604 1 126 . 1 1 15 15 PRO CG C 13 28.7 0.2 . 1 . . . . . . . . 4604 1 127 . 1 1 15 15 PRO HG2 H 1 2.10 0.01 . 2 . . . . . . . . 4604 1 128 . 1 1 15 15 PRO HG3 H 1 1.95 0.01 . 2 . . . . . . . . 4604 1 129 . 1 1 15 15 PRO HD2 H 1 3.82 0.01 . 2 . . . . . . . . 4604 1 130 . 1 1 15 15 PRO HD3 H 1 3.47 0.01 . 2 . . . . . . . . 4604 1 131 . 1 1 16 16 AIB H H 1 7.90 0.01 . 1 . . . . . . . . 4604 1 132 . 1 1 16 16 AIB CA C 13 59.3 0.2 . 1 . . . . . . . . 4604 1 133 . 1 1 16 16 AIB HB11 H 1 1.45 0.01 . 2 . . . . . . . . 4604 1 134 . 1 1 16 16 AIB CB1 C 13 29.4 0.2 . 1 . . . . . . . . 4604 1 135 . 1 1 16 16 AIB HB21 H 1 1.46 0.01 . 2 . . . . . . . . 4604 1 136 . 1 1 16 16 AIB CB2 C 13 25.1 0.2 . 1 . . . . . . . . 4604 1 137 . 1 1 16 16 AIB C C 13 179.5 0.2 . 1 . . . . . . . . 4604 1 138 . 1 1 17 17 AIB H H 1 7.87 0.01 . 1 . . . . . . . . 4604 1 139 . 1 1 17 17 AIB CA C 13 59.1 0.2 . 1 . . . . . . . . 4604 1 140 . 1 1 17 17 AIB HB11 H 1 1.49 0.01 . 2 . . . . . . . . 4604 1 141 . 1 1 17 17 AIB CB1 C 13 29.4 0.2 . 1 . . . . . . . . 4604 1 142 . 1 1 17 17 AIB HB21 H 1 1.40 0.01 . 2 . . . . . . . . 4604 1 143 . 1 1 17 17 AIB CB2 C 13 25.4 0.2 . 1 . . . . . . . . 4604 1 144 . 1 1 17 17 AIB C C 13 178.9 0.2 . 1 . . . . . . . . 4604 1 145 . 1 1 18 18 AIB H H 1 7.45 0.01 . 1 . . . . . . . . 4604 1 146 . 1 1 18 18 AIB CA C 13 58.9 0.2 . 1 . . . . . . . . 4604 1 147 . 1 1 18 18 AIB HB11 H 1 1.54 0.01 . 2 . . . . . . . . 4604 1 148 . 1 1 18 18 AIB CB1 C 13 29.9 0.2 . 1 . . . . . . . . 4604 1 149 . 1 1 18 18 AIB HB21 H 1 1.52 0.01 . 2 . . . . . . . . 4604 1 150 . 1 1 18 18 AIB CB2 C 13 25.2 0.2 . 1 . . . . . . . . 4604 1 151 . 1 1 18 18 AIB C C 13 180.8 0.2 . 1 . . . . . . . . 4604 1 152 . 1 1 19 19 GLN H H 1 7.89 0.01 . 1 . . . . . . . . 4604 1 153 . 1 1 19 19 GLN HA H 1 4.18 0.01 . 1 . . . . . . . . 4604 1 154 . 1 1 19 19 GLN CB C 13 29.2 0.2 . 1 . . . . . . . . 4604 1 155 . 1 1 19 19 GLN HB2 H 1 2.23 0.01 . 2 . . . . . . . . 4604 1 156 . 1 1 19 19 GLN HB3 H 1 2.01 0.01 . 2 . . . . . . . . 4604 1 157 . 1 1 19 19 GLN CG C 13 34.3 0.2 . 1 . . . . . . . . 4604 1 158 . 1 1 19 19 GLN HG2 H 1 2.33 0.01 . 1 . . . . . . . . 4604 1 159 . 1 1 19 19 GLN HG3 H 1 2.33 0.01 . 1 . . . . . . . . 4604 1 160 . 1 1 19 19 GLN CD C 13 179.7 0.2 . 1 . . . . . . . . 4604 1 161 . 1 1 19 19 GLN HE21 H 1 6.71 0.01 . 2 . . . . . . . . 4604 1 162 . 1 1 19 19 GLN HE22 H 1 7.30 0.01 . 2 . . . . . . . . 4604 1 163 . 1 1 20 20 TPL H H 1 7.57 0.01 . 1 . . . . . . . . 4604 1 164 . 1 1 20 20 TPL CA C 13 56.2 0.2 . 1 . . . . . . . . 4604 1 165 . 1 1 20 20 TPL HA H 1 4.24 0.01 . 1 . . . . . . . . 4604 1 166 . 1 1 20 20 TPL CB1 C 13 29.5 0.2 . 1 . . . . . . . . 4604 1 167 . 1 1 20 20 TPL HB1 H 1 2.94 0.01 . 2 . . . . . . . . 4604 1 168 . 1 1 20 20 TPL HB2 H 1 2.83 0.01 . 2 . . . . . . . . 4604 1 169 . 1 1 20 20 TPL CG C 13 113.7 0.2 . 1 . . . . . . . . 4604 1 170 . 1 1 20 20 TPL CD1 C 13 126.0 0.2 . 1 . . . . . . . . 4604 1 171 . 1 1 20 20 TPL CD2 C 13 130.5 0.2 . 1 . . . . . . . . 4604 1 172 . 1 1 20 20 TPL CE3 C 13 120.5 0.2 . 1 . . . . . . . . 4604 1 173 . 1 1 20 20 TPL CE2 C 13 139.1 0.2 . 1 . . . . . . . . 4604 1 174 . 1 1 20 20 TPL HD1 H 1 7.26 0.01 . 1 . . . . . . . . 4604 1 175 . 1 1 20 20 TPL HE3 H 1 7.44 0.01 . 1 . . . . . . . . 4604 1 176 . 1 1 20 20 TPL CZ3 C 13 121.1 0.2 . 1 . . . . . . . . 4604 1 177 . 1 1 20 20 TPL CZ2 C 13 114.4 0.2 . 1 . . . . . . . . 4604 1 178 . 1 1 20 20 TPL HE1 H 1 10.47 0.01 . 1 . . . . . . . . 4604 1 179 . 1 1 20 20 TPL HZ3 H 1 6.93 0.01 . 1 . . . . . . . . 4604 1 180 . 1 1 20 20 TPL CH2 C 13 123.7 0.2 . 1 . . . . . . . . 4604 1 181 . 1 1 20 20 TPL HZ2 H 1 7.43 0.01 . 1 . . . . . . . . 4604 1 182 . 1 1 20 20 TPL HH2 H 1 7.04 0.01 . 1 . . . . . . . . 4604 1 183 . 1 1 20 20 TPL H2 H 1 3.69 0.01 . 2 . . . . . . . . 4604 1 stop_ save_