###################################
# 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_