Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
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 30110
_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 $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_Assigned_chem_shift_list.Chem_shift_15N_err 0.2
_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 NOESY' . . . 30110 1
2 '2D DQF-COSY' . . . 30110 1
3 '2D 1H-1H TOCSY' . . . 30110 1
4 '2D 1H-15N HSQC' . . . 30110 1
5 '2D 1H-13C HSQC' . . . 30110 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
2 $software_2 . . 30110 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 ARG HA H 1 4.0920 0.01 . . . . . A 1 ARG HA . 30110 1
2 . 1 1 1 1 ARG HB2 H 1 2.0015 0.01 . . . . . A 1 ARG HB2 . 30110 1
3 . 1 1 1 1 ARG HB3 H 1 2.0015 0.01 . . . . . A 1 ARG HB3 . 30110 1
4 . 1 1 1 1 ARG HG2 H 1 1.7375 0.01 . . . . . A 1 ARG HG2 . 30110 1
5 . 1 1 1 1 ARG HG3 H 1 1.7375 0.01 . . . . . A 1 ARG HG3 . 30110 1
6 . 1 1 1 1 ARG HD2 H 1 3.2210 0.01 . . . . . A 1 ARG HD2 . 30110 1
7 . 1 1 1 1 ARG HE H 1 7.2213 0.01 . . . . . A 1 ARG HE . 30110 1
8 . 1 1 1 1 ARG CA C 13 55.7202 0.1 . . . . . A 1 ARG CA . 30110 1
9 . 1 1 1 1 ARG CB C 13 30.8956 0.1 . . . . . A 1 ARG CB . 30110 1
10 . 1 1 1 1 ARG CG C 13 26.9022 0.1 . . . . . A 1 ARG CG . 30110 1
11 . 1 1 1 1 ARG CD C 13 43.3560 0.1 . . . . . A 1 ARG CD . 30110 1
12 . 1 1 2 2 ALA H H 1 8.5881 0.01 . . . . . A 2 ALA H . 30110 1
13 . 1 1 2 2 ALA HA H 1 4.4655 0.01 . . . . . A 2 ALA HA . 30110 1
14 . 1 1 2 2 ALA HB1 H 1 1.4155 0.01 . . . . . A 2 ALA HB1 . 30110 1
15 . 1 1 2 2 ALA HB2 H 1 1.4155 0.01 . . . . . A 2 ALA HB2 . 30110 1
16 . 1 1 2 2 ALA HB3 H 1 1.4155 0.01 . . . . . A 2 ALA HB3 . 30110 1
17 . 1 1 2 2 ALA CA C 13 53.0141 0.1 . . . . . A 2 ALA CA . 30110 1
18 . 1 1 2 2 ALA CB C 13 19.5781 0.1 . . . . . A 2 ALA CB . 30110 1
19 . 1 1 2 2 ALA N N 15 125.8621 0.2 . . . . . A 2 ALA N . 30110 1
20 . 1 1 3 3 ILE H H 1 7.9227 0.01 . . . . . A 3 ILE H . 30110 1
21 . 1 1 3 3 ILE HA H 1 4.1890 0.01 . . . . . A 3 ILE HA . 30110 1
22 . 1 1 3 3 ILE HB H 1 1.9080 0.01 . . . . . A 3 ILE HB . 30110 1
23 . 1 1 3 3 ILE HG12 H 1 1.2040 0.01 . . . . . A 3 ILE HG12 . 30110 1
24 . 1 1 3 3 ILE HG13 H 1 1.2040 0.01 . . . . . A 3 ILE HG13 . 30110 1
25 . 1 1 3 3 ILE HG21 H 1 0.9345 0.01 . . . . . A 3 ILE HG21 . 30110 1
26 . 1 1 3 3 ILE HG22 H 1 0.9345 0.01 . . . . . A 3 ILE HG22 . 30110 1
27 . 1 1 3 3 ILE HG23 H 1 0.9345 0.01 . . . . . A 3 ILE HG23 . 30110 1
28 . 1 1 3 3 ILE HD11 H 1 0.9030 0.01 . . . . . A 3 ILE HD11 . 30110 1
29 . 1 1 3 3 ILE HD12 H 1 0.9030 0.01 . . . . . A 3 ILE HD12 . 30110 1
30 . 1 1 3 3 ILE HD13 H 1 0.9030 0.01 . . . . . A 3 ILE HD13 . 30110 1
31 . 1 1 3 3 ILE CA C 13 61.5414 0.1 . . . . . A 3 ILE CA . 30110 1
32 . 1 1 3 3 ILE CB C 13 38.8191 0.1 . . . . . A 3 ILE CB . 30110 1
33 . 1 1 3 3 ILE CG2 C 13 17.7892 0.1 . . . . . A 3 ILE CG2 . 30110 1
34 . 1 1 3 3 ILE CD1 C 13 13.4663 0.1 . . . . . A 3 ILE CD1 . 30110 1
35 . 1 1 3 3 ILE N N 15 118.5758 0.2 . . . . . A 3 ILE N . 30110 1
36 . 1 1 4 4 GLY H H 1 8.3368 0.01 . . . . . A 4 GLY H . 30110 1
37 . 1 1 4 4 GLY HA2 H 1 3.8800 0.01 . . . . . A 4 GLY HA2 . 30110 1
38 . 1 1 4 4 GLY HA3 H 1 3.8535 0.01 . . . . . A 4 GLY HA3 . 30110 1
39 . 1 1 4 4 GLY CA C 13 45.9237 0.1 . . . . . A 4 GLY CA . 30110 1
40 . 1 1 4 4 GLY N N 15 111.8599 0.2 . . . . . A 4 GLY N . 30110 1
41 . 1 1 5 5 GLY H H 1 8.2902 0.01 . . . . . A 5 GLY H . 30110 1
42 . 1 1 5 5 GLY HA2 H 1 3.9830 0.01 . . . . . A 5 GLY HA2 . 30110 1
43 . 1 1 5 5 GLY CA C 13 45.8349 0.1 . . . . . A 5 GLY CA . 30110 1
44 . 1 1 5 5 GLY N N 15 109.0190 0.2 . . . . . A 5 GLY N . 30110 1
45 . 1 1 6 6 GLY H H 1 8.3625 0.01 . . . . . A 6 GLY H . 30110 1
46 . 1 1 6 6 GLY HA2 H 1 4.0010 0.01 . . . . . A 6 GLY HA2 . 30110 1
47 . 1 1 6 6 GLY CA C 13 45.7928 0.1 . . . . . A 6 GLY CA . 30110 1
48 . 1 1 6 6 GLY N N 15 109.2462 0.2 . . . . . A 6 GLY N . 30110 1
49 . 1 1 7 7 LEU H H 1 8.1052 0.01 . . . . . A 7 LEU H . 30110 1
50 . 1 1 7 7 LEU HA H 1 4.2750 0.01 . . . . . A 7 LEU HA . 30110 1
51 . 1 1 7 7 LEU HB2 H 1 1.7820 0.01 . . . . . A 7 LEU HB2 . 30110 1
52 . 1 1 7 7 LEU HB3 H 1 1.6395 0.01 . . . . . A 7 LEU HB3 . 30110 1
53 . 1 1 7 7 LEU HD11 H 1 0.9615 0.01 . . . . . A 7 LEU HD11 . 30110 1
54 . 1 1 7 7 LEU HD12 H 1 0.9615 0.01 . . . . . A 7 LEU HD12 . 30110 1
55 . 1 1 7 7 LEU HD13 H 1 0.9615 0.01 . . . . . A 7 LEU HD13 . 30110 1
56 . 1 1 7 7 LEU HD21 H 1 0.8995 0.01 . . . . . A 7 LEU HD21 . 30110 1
57 . 1 1 7 7 LEU HD22 H 1 0.8995 0.01 . . . . . A 7 LEU HD22 . 30110 1
58 . 1 1 7 7 LEU HD23 H 1 0.8995 0.01 . . . . . A 7 LEU HD23 . 30110 1
59 . 1 1 7 7 LEU CA C 13 56.4898 0.1 . . . . . A 7 LEU CA . 30110 1
60 . 1 1 7 7 LEU CB C 13 41.9501 0.1 . . . . . A 7 LEU CB . 30110 1
61 . 1 1 7 7 LEU CD1 C 13 25.4605 0.1 . . . . . A 7 LEU CD1 . 30110 1
62 . 1 1 7 7 LEU CD2 C 13 23.8740 0.1 . . . . . A 7 LEU CD2 . 30110 1
63 . 1 1 7 7 LEU N N 15 121.2933 0.2 . . . . . A 7 LEU N . 30110 1
64 . 1 1 8 8 SER H H 1 8.1229 0.01 . . . . . A 8 SER H . 30110 1
65 . 1 1 8 8 SER HA H 1 4.3430 0.01 . . . . . A 8 SER HA . 30110 1
66 . 1 1 8 8 SER HB2 H 1 3.9900 0.01 . . . . . A 8 SER HB2 . 30110 1
67 . 1 1 8 8 SER HB3 H 1 3.9290 0.01 . . . . . A 8 SER HB3 . 30110 1
68 . 1 1 8 8 SER CA C 13 60.0433 0.1 . . . . . A 8 SER CA . 30110 1
69 . 1 1 8 8 SER CB C 13 63.6503 0.1 . . . . . A 8 SER CB . 30110 1
70 . 1 1 8 8 SER N N 15 113.4839 0.2 . . . . . A 8 SER N . 30110 1
71 . 1 1 9 9 SER H H 1 8.0119 0.01 . . . . . A 9 SER H . 30110 1
72 . 1 1 9 9 SER HA H 1 4.4905 0.01 . . . . . A 9 SER HA . 30110 1
73 . 1 1 9 9 SER HB2 H 1 3.9430 0.01 . . . . . A 9 SER HB2 . 30110 1
74 . 1 1 9 9 SER CA C 13 58.9833 0.1 . . . . . A 9 SER CA . 30110 1
75 . 1 1 9 9 SER CB C 13 63.8768 0.1 . . . . . A 9 SER CB . 30110 1
76 . 1 1 9 9 SER N N 15 116.2146 0.2 . . . . . A 9 SER N . 30110 1
77 . 1 1 10 10 VAL H H 1 7.6690 0.01 . . . . . A 10 VAL H . 30110 1
78 . 1 1 10 10 VAL HA H 1 4.1425 0.01 . . . . . A 10 VAL HA . 30110 1
79 . 1 1 10 10 VAL HB H 1 2.2095 0.01 . . . . . A 10 VAL HB . 30110 1
80 . 1 1 10 10 VAL HG11 H 1 1.0160 0.01 . . . . . A 10 VAL HG11 . 30110 1
81 . 1 1 10 10 VAL HG12 H 1 1.0160 0.01 . . . . . A 10 VAL HG12 . 30110 1
82 . 1 1 10 10 VAL HG13 H 1 1.0160 0.01 . . . . . A 10 VAL HG13 . 30110 1
83 . 1 1 10 10 VAL HG21 H 1 0.9765 0.01 . . . . . A 10 VAL HG21 . 30110 1
84 . 1 1 10 10 VAL HG22 H 1 0.9765 0.01 . . . . . A 10 VAL HG22 . 30110 1
85 . 1 1 10 10 VAL HG23 H 1 0.9765 0.01 . . . . . A 10 VAL HG23 . 30110 1
86 . 1 1 10 10 VAL CA C 13 63.0852 0.1 . . . . . A 10 VAL CA . 30110 1
87 . 1 1 10 10 VAL CB C 13 32.4666 0.1 . . . . . A 10 VAL CB . 30110 1
88 . 1 1 10 10 VAL CG1 C 13 21.2051 0.1 . . . . . A 10 VAL CG1 . 30110 1
89 . 1 1 10 10 VAL CG2 C 13 21.5299 0.1 . . . . . A 10 VAL CG2 . 30110 1
90 . 1 1 10 10 VAL N N 15 120.0696 0.2 . . . . . A 10 VAL N . 30110 1
91 . 1 1 11 11 GLY H H 1 8.2850 0.01 . . . . . A 11 GLY H . 30110 1
92 . 1 1 11 11 GLY HA2 H 1 4.1105 0.01 . . . . . A 11 GLY HA2 . 30110 1
93 . 1 1 11 11 GLY HA3 H 1 4.0815 0.01 . . . . . A 11 GLY HA3 . 30110 1
94 . 1 1 11 11 GLY CA C 13 45.7391 0.1 . . . . . A 11 GLY CA . 30110 1
95 . 1 1 11 11 GLY N N 15 110.6926 0.2 . . . . . A 11 GLY N . 30110 1
96 . 1 1 12 12 GLY H H 1 8.3248 0.01 . . . . . A 12 GLY H . 30110 1
97 . 1 1 12 12 GLY HA2 H 1 4.0405 0.01 . . . . . A 12 GLY HA2 . 30110 1
98 . 1 1 12 12 GLY HA3 H 1 4.0405 0.01 . . . . . A 12 GLY HA3 . 30110 1
99 . 1 1 12 12 GLY CA C 13 45.7536 0.1 . . . . . A 12 GLY CA . 30110 1
100 . 1 1 12 12 GLY N N 15 109.0301 0.2 . . . . . A 12 GLY N . 30110 1
101 . 1 1 13 13 GLY H H 1 8.2075 0.01 . . . . . A 13 GLY H . 30110 1
102 . 1 1 13 13 GLY HA2 H 1 4.0080 0.01 . . . . . A 13 GLY HA2 . 30110 1
103 . 1 1 13 13 GLY HA3 H 1 4.0080 0.01 . . . . . A 13 GLY HA3 . 30110 1
104 . 1 1 13 13 GLY CA C 13 45.7663 0.1 . . . . . A 13 GLY CA . 30110 1
105 . 1 1 13 13 GLY N N 15 108.3146 0.2 . . . . . A 13 GLY N . 30110 1
106 . 1 1 14 14 SER H H 1 8.2178 0.01 . . . . . A 14 SER H . 30110 1
107 . 1 1 14 14 SER HA H 1 4.4960 0.01 . . . . . A 14 SER HA . 30110 1
108 . 1 1 14 14 SER HB2 H 1 3.9400 0.01 . . . . . A 14 SER HB2 . 30110 1
109 . 1 1 14 14 SER HB3 H 1 3.9000 0.01 . . . . . A 14 SER HB3 . 30110 1
110 . 1 1 14 14 SER CA C 13 58.8724 0.1 . . . . . A 14 SER CA . 30110 1
111 . 1 1 14 14 SER CB C 13 63.8889 0.1 . . . . . A 14 SER CB . 30110 1
112 . 1 1 14 14 SER N N 15 115.4062 0.2 . . . . . A 14 SER N . 30110 1
113 . 1 1 15 15 SER H H 1 8.2790 0.01 . . . . . A 15 SER H . 30110 1
114 . 1 1 15 15 SER HA H 1 4.5310 0.01 . . . . . A 15 SER HA . 30110 1
115 . 1 1 15 15 SER HB2 H 1 3.9530 0.01 . . . . . A 15 SER HB2 . 30110 1
116 . 1 1 15 15 SER HB3 H 1 3.9150 0.01 . . . . . A 15 SER HB3 . 30110 1
117 . 1 1 15 15 SER CA C 13 58.9061 0.1 . . . . . A 15 SER CA . 30110 1
118 . 1 1 15 15 SER CB C 13 63.9210 0.1 . . . . . A 15 SER CB . 30110 1
119 . 1 1 15 15 SER N N 15 117.4187 0.2 . . . . . A 15 SER N . 30110 1
120 . 1 1 16 16 THR H H 1 8.1063 0.01 . . . . . A 16 THR H . 30110 1
121 . 1 1 16 16 THR HA H 1 4.3510 0.01 . . . . . A 16 THR HA . 30110 1
122 . 1 1 16 16 THR HB H 1 4.2290 0.01 . . . . . A 16 THR HB . 30110 1
123 . 1 1 16 16 THR HG21 H 1 1.1920 0.01 . . . . . A 16 THR HG21 . 30110 1
124 . 1 1 16 16 THR HG22 H 1 1.1920 0.01 . . . . . A 16 THR HG22 . 30110 1
125 . 1 1 16 16 THR HG23 H 1 1.1920 0.01 . . . . . A 16 THR HG23 . 30110 1
126 . 1 1 16 16 THR CA C 13 62.2807 0.1 . . . . . A 16 THR CA . 30110 1
127 . 1 1 16 16 THR CB C 13 69.9117 0.1 . . . . . A 16 THR CB . 30110 1
128 . 1 1 16 16 THR N N 15 115.3831 0.2 . . . . . A 16 THR N . 30110 1
129 . 1 1 17 17 ILE H H 1 7.9090 0.01 . . . . . A 17 ILE H . 30110 1
130 . 1 1 17 17 ILE HA H 1 4.1390 0.01 . . . . . A 17 ILE HA . 30110 1
131 . 1 1 17 17 ILE HB H 1 1.8560 0.01 . . . . . A 17 ILE HB . 30110 1
132 . 1 1 17 17 ILE HG12 H 1 1.1780 0.01 . . . . . A 17 ILE HG12 . 30110 1
133 . 1 1 17 17 ILE HG13 H 1 1.1780 0.01 . . . . . A 17 ILE HG13 . 30110 1
134 . 1 1 17 17 ILE HG21 H 1 0.8530 0.01 . . . . . A 17 ILE HG21 . 30110 1
135 . 1 1 17 17 ILE HG22 H 1 0.8530 0.01 . . . . . A 17 ILE HG22 . 30110 1
136 . 1 1 17 17 ILE HG23 H 1 0.8530 0.01 . . . . . A 17 ILE HG23 . 30110 1
137 . 1 1 17 17 ILE HD11 H 1 0.8740 0.01 . . . . . A 17 ILE HD11 . 30110 1
138 . 1 1 17 17 ILE HD12 H 1 0.8740 0.01 . . . . . A 17 ILE HD12 . 30110 1
139 . 1 1 17 17 ILE HD13 H 1 0.8740 0.01 . . . . . A 17 ILE HD13 . 30110 1
140 . 1 1 17 17 ILE CA C 13 61.5936 0.1 . . . . . A 17 ILE CA . 30110 1
141 . 1 1 17 17 ILE CB C 13 38.7338 0.1 . . . . . A 17 ILE CB . 30110 1
142 . 1 1 17 17 ILE CG2 C 13 17.6429 0.1 . . . . . A 17 ILE CG2 . 30110 1
143 . 1 1 17 17 ILE CD1 C 13 13.2359 0.1 . . . . . A 17 ILE CD1 . 30110 1
144 . 1 1 17 17 ILE N N 15 121.9704 0.2 . . . . . A 17 ILE N . 30110 1
145 . 1 1 18 18 LYS H H 1 8.0198 0.01 . . . . . A 18 LYS H . 30110 1
146 . 1 1 18 18 LYS HA H 1 4.3065 0.01 . . . . . A 18 LYS HA . 30110 1
147 . 1 1 18 18 LYS HB2 H 1 1.7395 0.01 . . . . . A 18 LYS HB2 . 30110 1
148 . 1 1 18 18 LYS HB3 H 1 1.7395 0.01 . . . . . A 18 LYS HB3 . 30110 1
149 . 1 1 18 18 LYS HG2 H 1 1.3295 0.01 . . . . . A 18 LYS HG2 . 30110 1
150 . 1 1 18 18 LYS HG3 H 1 1.3295 0.01 . . . . . A 18 LYS HG3 . 30110 1
151 . 1 1 18 18 LYS HD2 H 1 1.6495 0.01 . . . . . A 18 LYS HD2 . 30110 1
152 . 1 1 18 18 LYS HD3 H 1 1.6495 0.01 . . . . . A 18 LYS HD3 . 30110 1
153 . 1 1 18 18 LYS HE2 H 1 2.9710 0.01 . . . . . A 18 LYS HE2 . 30110 1
154 . 1 1 18 18 LYS HE3 H 1 2.9710 0.01 . . . . . A 18 LYS HE3 . 30110 1
155 . 1 1 18 18 LYS HZ1 H 1 7.4166 0.01 . . . . . A 18 LYS HZ1 . 30110 1
156 . 1 1 18 18 LYS HZ2 H 1 7.4166 0.01 . . . . . A 18 LYS HZ2 . 30110 1
157 . 1 1 18 18 LYS HZ3 H 1 7.4166 0.01 . . . . . A 18 LYS HZ3 . 30110 1
158 . 1 1 18 18 LYS CA C 13 56.1286 0.1 . . . . . A 18 LYS CA . 30110 1
159 . 1 1 18 18 LYS CB C 13 33.3706 0.1 . . . . . A 18 LYS CB . 30110 1
160 . 1 1 18 18 LYS N N 15 124.2448 0.2 . . . . . A 18 LYS N . 30110 1
161 . 1 1 19 19 TYR H H 1 7.5415 0.01 . . . . . A 19 TYR H . 30110 1
162 . 1 1 19 19 TYR HA H 1 4.4430 0.01 . . . . . A 19 TYR HA . 30110 1
163 . 1 1 19 19 TYR HB2 H 1 2.9630 0.01 . . . . . A 19 TYR HB2 . 30110 1
164 . 1 1 19 19 TYR HB3 H 1 2.9660 0.01 . . . . . A 19 TYR HB3 . 30110 1
165 . 1 1 19 19 TYR HD1 H 1 7.0740 0.01 . . . . . A 19 TYR HD1 . 30110 1
166 . 1 1 19 19 TYR HE1 H 1 6.8100 0.01 . . . . . A 19 TYR HE1 . 30110 1
167 . 1 1 19 19 TYR CA C 13 58.5413 0.1 . . . . . A 19 TYR CA . 30110 1
168 . 1 1 19 19 TYR CB C 13 39.4336 0.1 . . . . . A 19 TYR CB . 30110 1
169 . 1 1 19 19 TYR CD1 C 13 133.3914 0.1 . . . . . A 19 TYR CD1 . 30110 1
170 . 1 1 19 19 TYR CE1 C 13 118.2734 0.1 . . . . . A 19 TYR CE1 . 30110 1
171 . 1 1 19 19 TYR N N 15 123.1960 0.2 . . . . . A 19 TYR N . 30110 1
stop_
save_