Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
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 18405
_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
2 '2D 1H-1H TOCSY' . . . 18405 1
3 '2D 1H-13C HSQC' . . . 18405 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 CYS HA H 1 4.862 0.0025 . 1 . . . . 1 CYS HA . 18405 1
2 . 1 1 1 1 CYS HB2 H 1 2.498 0.0025 . 2 . . . . 1 CYS HB2 . 18405 1
3 . 1 1 1 1 CYS HB3 H 1 3.669 0.0025 . 2 . . . . 1 CYS HB3 . 18405 1
4 . 1 1 1 1 CYS H H 1 8.688 0.0025 . 1 . . . . 1 CYS H . 18405 1
5 . 1 1 1 1 CYS CB C 13 44.52 0.025 . 1 . . . . 1 CYS CB . 18405 1
6 . 1 1 2 2 VAL H H 1 9.194 0.0025 . 1 . . . . 2 VAL H . 18405 1
7 . 1 1 2 2 VAL HA H 1 4.859 0.0025 . 1 . . . . 2 VAL HA . 18405 1
8 . 1 1 2 2 VAL HB H 1 2.29 0.0025 . 1 . . . . 2 VAL HB . 18405 1
9 . 1 1 2 2 VAL HG11 H 1 0.723 0.0025 . 2 . . . . 2 VAL HG11 . 18405 1
10 . 1 1 2 2 VAL HG12 H 1 0.723 0.0025 . 2 . . . . 2 VAL HG12 . 18405 1
11 . 1 1 2 2 VAL HG13 H 1 0.723 0.0025 . 2 . . . . 2 VAL HG13 . 18405 1
12 . 1 1 2 2 VAL HG21 H 1 0.318 0.0025 . 2 . . . . 2 VAL HG21 . 18405 1
13 . 1 1 2 2 VAL HG22 H 1 0.318 0.0025 . 2 . . . . 2 VAL HG22 . 18405 1
14 . 1 1 2 2 VAL HG23 H 1 0.318 0.0025 . 2 . . . . 2 VAL HG23 . 18405 1
15 . 1 1 2 2 VAL CA C 13 58.427 0.025 . 1 . . . . 2 VAL CA . 18405 1
16 . 1 1 2 2 VAL CB C 13 32.195 0.025 . 1 . . . . 2 VAL CB . 18405 1
17 . 1 1 2 2 VAL CG1 C 13 19.558 0.025 . 2 . . . . 2 VAL CG1 . 18405 1
18 . 1 1 2 2 VAL CG2 C 13 16.66 0.025 . 2 . . . . 2 VAL CG2 . 18405 1
19 . 1 1 3 3 TRP H H 1 8.721 0.0025 . 1 . . . . 3 TRP H . 18405 1
20 . 1 1 3 3 TRP HA H 1 4.87 0.0025 . 1 . . . . 3 TRP HA . 18405 1
21 . 1 1 3 3 TRP HB2 H 1 3.262 0.0025 . 2 . . . . 3 TRP HB2 . 18405 1
22 . 1 1 3 3 TRP HB3 H 1 3.328 0.0025 . 2 . . . . 3 TRP HB3 . 18405 1
23 . 1 1 3 3 TRP HD1 H 1 7.197 0.0025 . 1 . . . . 3 TRP HD1 . 18405 1
24 . 1 1 3 3 TRP HE1 H 1 10.464 0.0025 . 1 . . . . 3 TRP HE1 . 18405 1
25 . 1 1 3 3 TRP HE3 H 1 7.625 0.0025 . 1 . . . . 3 TRP HE3 . 18405 1
26 . 1 1 3 3 TRP HZ2 H 1 7.384 0.0025 . 1 . . . . 3 TRP HZ2 . 18405 1
27 . 1 1 3 3 TRP HZ3 H 1 7.078 0.0025 . 1 . . . . 3 TRP HZ3 . 18405 1
28 . 1 1 3 3 TRP HH2 H 1 7.131 0.0025 . 1 . . . . 3 TRP HH2 . 18405 1
29 . 1 1 3 3 TRP CA C 13 55.776 0.025 . 1 . . . . 3 TRP CA . 18405 1
30 . 1 1 3 3 TRP CB C 13 29.573 0.025 . 1 . . . . 3 TRP CB . 18405 1
31 . 1 1 3 3 TRP CD1 C 13 124.37 0.025 . 1 . . . . 3 TRP CD1 . 18405 1
32 . 1 1 3 3 TRP CE3 C 13 118.825 0.025 . 1 . . . . 3 TRP CE3 . 18405 1
33 . 1 1 3 3 TRP CZ2 C 13 112.162 0.025 . 1 . . . . 3 TRP CZ2 . 18405 1
34 . 1 1 3 3 TRP CZ3 C 13 119.584 0.025 . 1 . . . . 3 TRP CZ3 . 18405 1
35 . 1 1 3 3 TRP CH2 C 13 122.267 0.025 . 1 . . . . 3 TRP CH2 . 18405 1
36 . 1 1 4 4 GLY H H 1 8.193 0.0025 . 1 . . . . 4 GLY H . 18405 1
37 . 1 1 4 4 GLY HA2 H 1 3.127 0.0025 . 2 . . . . 4 GLY HA2 . 18405 1
38 . 1 1 4 4 GLY HA3 H 1 4.018 0.0025 . 2 . . . . 4 GLY HA3 . 18405 1
39 . 1 1 4 4 GLY CA C 13 44.651 0.025 . 1 . . . . 4 GLY CA . 18405 1
40 . 1 1 5 5 GLY H H 1 8.646 0.0025 . 1 . . . . 5 GLY H . 18405 1
41 . 1 1 5 5 GLY HA2 H 1 3.784 0.0025 . 2 . . . . 5 GLY HA2 . 18405 1
42 . 1 1 5 5 GLY HA3 H 1 4.158 0.0025 . 2 . . . . 5 GLY HA3 . 18405 1
43 . 1 1 5 5 GLY CA C 13 42.116 0.025 . 1 . . . . 5 GLY CA . 18405 1
44 . 1 1 6 6 ASP H H 1 8.237 0.0025 . 1 . . . . 6 ASP H . 18405 1
45 . 1 1 6 6 ASP HA H 1 4.908 0.0025 . 1 . . . . 6 ASP HA . 18405 1
46 . 1 1 6 6 ASP HB2 H 1 2.685 0.0025 . 2 . . . . 6 ASP HB2 . 18405 1
47 . 1 1 6 6 ASP HB3 H 1 2.879 0.0025 . 2 . . . . 6 ASP HB3 . 18405 1
48 . 1 1 6 6 ASP CA C 13 51.55 0.025 . 1 . . . . 6 ASP CA . 18405 1
49 . 1 1 6 6 ASP CB C 13 37.574 0.025 . 1 . . . . 6 ASP CB . 18405 1
50 . 1 1 7 7 CYS H H 1 7.835 0.0025 . 1 . . . . 7 CYS H . 18405 1
51 . 1 1 7 7 CYS HA H 1 4.901 0.0025 . 1 . . . . 7 CYS HA . 18405 1
52 . 1 1 7 7 CYS HB2 H 1 3.317 0.0025 . 2 . . . . 7 CYS HB2 . 18405 1
53 . 1 1 7 7 CYS HB3 H 1 3.373 0.0025 . 2 . . . . 7 CYS HB3 . 18405 1
54 . 1 1 7 7 CYS CA C 13 53.21 0.025 . 1 . . . . 7 CYS CA . 18405 1
55 . 1 1 7 7 CYS CB C 13 43.9 0.025 . 1 . . . . 7 CYS CB . 18405 1
56 . 1 1 8 8 THR H H 1 8.501 0.0025 . 1 . . . . 8 THR H . 18405 1
57 . 1 1 8 8 THR HA H 1 4.629 0.0025 . 1 . . . . 8 THR HA . 18405 1
58 . 1 1 8 8 THR HB H 1 3.864 0.0025 . 1 . . . . 8 THR HB . 18405 1
59 . 1 1 8 8 THR HG21 H 1 1.19 0.0025 . 1 . . . . 8 THR HG21 . 18405 1
60 . 1 1 8 8 THR HG22 H 1 1.19 0.0025 . 1 . . . . 8 THR HG22 . 18405 1
61 . 1 1 8 8 THR HG23 H 1 1.19 0.0025 . 1 . . . . 8 THR HG23 . 18405 1
62 . 1 1 8 8 THR CA C 13 61.705 0.0025 . 1 . . . . 8 THR CA . 18405 1
63 . 1 1 8 8 THR CB C 13 68.438 0.0025 . 1 . . . . 8 THR CB . 18405 1
64 . 1 1 8 8 THR CG2 C 13 20.24 0.0025 . 1 . . . . 8 THR CG2 . 18405 1
65 . 1 1 9 9 ASP H H 1 7.887 0.0025 . 1 . . . . 9 ASP H . 18405 1
66 . 1 1 9 9 ASP HA H 1 4.612 0.0025 . 1 . . . . 9 ASP HA . 18405 1
67 . 1 1 9 9 ASP HB2 H 1 2.832 0.0025 . 2 . . . . 9 ASP HB2 . 18405 1
68 . 1 1 9 9 ASP HB3 H 1 2.889 0.0025 . 2 . . . . 9 ASP HB3 . 18405 1
69 . 1 1 9 9 ASP CA C 13 52.97 0.025 . 1 . . . . 9 ASP CA . 18405 1
70 . 1 1 9 9 ASP CB C 13 35.754 0.025 . 1 . . . . 9 ASP CB . 18405 1
71 . 1 1 10 10 PHE H H 1 8.541 0.0025 . 1 . . . . 10 PHE H . 18405 1
72 . 1 1 10 10 PHE HA H 1 4.409 0.0025 . 1 . . . . 10 PHE HA . 18405 1
73 . 1 1 10 10 PHE HB2 H 1 2.815 0.0025 . 2 . . . . 10 PHE HB2 . 18405 1
74 . 1 1 10 10 PHE HB3 H 1 2.914 0.0025 . 2 . . . . 10 PHE HB3 . 18405 1
75 . 1 1 10 10 PHE HD2 H 1 7.268 0.0025 . 3 . . . . 10 PHE HD2 . 18405 1
76 . 1 1 10 10 PHE HE2 H 1 7.23 0.0025 . 3 . . . . 10 PHE HE2 . 18405 1
77 . 1 1 10 10 PHE HZ H 1 7.18 0.0025 . 1 . . . . 10 PHE HZ . 18405 1
78 . 1 1 10 10 PHE CA C 13 55.779 0.025 . 1 . . . . 10 PHE CA . 18405 1
79 . 1 1 10 10 PHE CB C 13 40.198 0.025 . 1 . . . . 10 PHE CB . 18405 1
80 . 1 1 10 10 PHE CD2 C 13 130.473 0.025 . 3 . . . . 10 PHE CD2 . 18405 1
81 . 1 1 10 10 PHE CE2 C 13 128.928 0.025 . 3 . . . . 10 PHE CE2 . 18405 1
82 . 1 1 10 10 PHE CZ C 13 127.436 0.025 . 1 . . . . 10 PHE CZ . 18405 1
83 . 1 1 11 11 LEU H H 1 8.53 0.0025 . 1 . . . . 11 LEU H . 18405 1
84 . 1 1 11 11 LEU HA H 1 3.964 0.0025 . 1 . . . . 11 LEU HA . 18405 1
85 . 1 1 11 11 LEU HB2 H 1 1.547 0.0025 . 2 . . . . 11 LEU HB2 . 18405 1
86 . 1 1 11 11 LEU HB3 H 1 1.547 0.0025 . 2 . . . . 11 LEU HB3 . 18405 1
87 . 1 1 11 11 LEU HG H 1 1.576 0.0025 . 1 . . . . 11 LEU HG . 18405 1
88 . 1 1 11 11 LEU HD11 H 1 0.962 0.0025 . 2 . . . . 11 LEU HD11 . 18405 1
89 . 1 1 11 11 LEU HD12 H 1 0.962 0.0025 . 2 . . . . 11 LEU HD12 . 18405 1
90 . 1 1 11 11 LEU HD13 H 1 0.962 0.0025 . 2 . . . . 11 LEU HD13 . 18405 1
91 . 1 1 11 11 LEU HD21 H 1 0.916 0.0025 . 2 . . . . 11 LEU HD21 . 18405 1
92 . 1 1 11 11 LEU HD22 H 1 0.916 0.0025 . 2 . . . . 11 LEU HD22 . 18405 1
93 . 1 1 11 11 LEU HD23 H 1 0.916 0.0025 . 2 . . . . 11 LEU HD23 . 18405 1
94 . 1 1 11 11 LEU CA C 13 55.49 0.025 . 1 . . . . 11 LEU CA . 18405 1
95 . 1 1 11 11 LEU CB C 13 40.425 0.025 . 1 . . . . 11 LEU CB . 18405 1
96 . 1 1 11 11 LEU CG C 13 25.309 0.025 . 1 . . . . 11 LEU CG . 18405 1
97 . 1 1 11 11 LEU CD1 C 13 22.42 0.025 . 2 . . . . 11 LEU CD1 . 18405 1
98 . 1 1 11 11 LEU CD2 C 13 22.51 0.025 . 2 . . . . 11 LEU CD2 . 18405 1
99 . 1 1 12 12 GLY H H 1 9.002 0.0025 . 1 . . . . 12 GLY H . 18405 1
100 . 1 1 12 12 GLY HA2 H 1 3.598 0.0025 . 2 . . . . 12 GLY HA2 . 18405 1
101 . 1 1 12 12 GLY HA3 H 1 4.181 0.0025 . 2 . . . . 12 GLY HA3 . 18405 1
102 . 1 1 12 12 GLY CA C 13 43.744 0.025 . 1 . . . . 12 GLY CA . 18405 1
103 . 1 1 13 13 CYS H H 1 8.628 0.0025 . 1 . . . . 13 CYS H . 18405 1
104 . 1 1 13 13 CYS HA H 1 4.597 0.0025 . 1 . . . . 13 CYS HA . 18405 1
105 . 1 1 13 13 CYS HB2 H 1 3.175 0.0025 . 2 . . . . 13 CYS HB2 . 18405 1
106 . 1 1 13 13 CYS HB3 H 1 3.587 0.0025 . 2 . . . . 13 CYS HB3 . 18405 1
107 . 1 1 14 14 GLY H H 1 7.619 0.0025 . 1 . . . . 14 GLY H . 18405 1
108 . 1 1 14 14 GLY HA3 H 1 3.972 0.0025 . 2 . . . . 14 GLY HA3 . 18405 1
109 . 1 1 14 14 GLY CA C 13 44.874 0.025 . 1 . . . . 14 GLY CA . 18405 1
110 . 1 1 15 15 THR H H 1 9.207 0.0025 . 1 . . . . 15 THR H . 18405 1
111 . 1 1 15 15 THR HA H 1 5.549 0.0025 . 1 . . . . 15 THR HA . 18405 1
112 . 1 1 15 15 THR HB H 1 4.197 0.0025 . 1 . . . . 15 THR HB . 18405 1
113 . 1 1 15 15 THR HG21 H 1 1.051 0.0025 . 1 . . . . 15 THR HG21 . 18405 1
114 . 1 1 15 15 THR HG22 H 1 1.051 0.0025 . 1 . . . . 15 THR HG22 . 18405 1
115 . 1 1 15 15 THR HG23 H 1 1.051 0.0025 . 1 . . . . 15 THR HG23 . 18405 1
116 . 1 1 15 15 THR CA C 13 58.66 0.025 . 1 . . . . 15 THR CA . 18405 1
117 . 1 1 15 15 THR CB C 13 71.883 0.025 . 1 . . . . 15 THR CB . 18405 1
118 . 1 1 15 15 THR CG2 C 13 19.84 0.025 . 1 . . . . 15 THR CG2 . 18405 1
119 . 1 1 16 16 ALA H H 1 8.234 0.0025 . 1 . . . . 16 ALA H . 18405 1
120 . 1 1 16 16 ALA HA H 1 4.533 0.0025 . 1 . . . . 16 ALA HA . 18405 1
121 . 1 1 16 16 ALA HB1 H 1 1.333 0.0025 . 1 . . . . 16 ALA HB1 . 18405 1
122 . 1 1 16 16 ALA HB2 H 1 1.333 0.0025 . 1 . . . . 16 ALA HB2 . 18405 1
123 . 1 1 16 16 ALA HB3 H 1 1.333 0.0025 . 1 . . . . 16 ALA HB3 . 18405 1
124 . 1 1 16 16 ALA CA C 13 48.5 0.025 . 1 . . . . 16 ALA CA . 18405 1
125 . 1 1 16 16 ALA CB C 13 20.986 0.025 . 1 . . . . 16 ALA CB . 18405 1
126 . 1 1 17 17 TRP H H 1 8.374 0.0025 . 1 . . . . 17 TRP H . 18405 1
127 . 1 1 17 17 TRP HA H 1 4.890 0.0025 . 1 . . . . 17 TRP HA . 18405 1
128 . 1 1 17 17 TRP HB2 H 1 3.034 0.0025 . 2 . . . . 17 TRP HB2 . 18405 1
129 . 1 1 17 17 TRP HB3 H 1 3.373 0.0025 . 2 . . . . 17 TRP HB3 . 18405 1
130 . 1 1 17 17 TRP HD1 H 1 6.626 0.0025 . 1 . . . . 17 TRP HD1 . 18405 1
131 . 1 1 17 17 TRP HE1 H 1 10.238 0.0025 . 1 . . . . 17 TRP HE1 . 18405 1
132 . 1 1 17 17 TRP HE3 H 1 7.501 0.0025 . 1 . . . . 17 TRP HE3 . 18405 1
133 . 1 1 17 17 TRP HZ2 H 1 7.413 0.0025 . 1 . . . . 17 TRP HZ2 . 18405 1
134 . 1 1 17 17 TRP HZ3 H 1 7.016 0.0025 . 1 . . . . 17 TRP HZ3 . 18405 1
135 . 1 1 17 17 TRP HH2 H 1 7.104 0.0025 . 1 . . . . 17 TRP HH2 . 18405 1
136 . 1 1 17 17 TRP CA C 13 55.197 0.025 . 1 . . . . 17 TRP CA . 18405 1
137 . 1 1 17 17 TRP CB C 13 28.122 0.025 . 1 . . . . 17 TRP CB . 18405 1
138 . 1 1 17 17 TRP CD1 C 13 121.533 0.025 . 1 . . . . 17 TRP CD1 . 18405 1
139 . 1 1 17 17 TRP CE3 C 13 118.37 0.025 . 1 . . . . 17 TRP CE3 . 18405 1
140 . 1 1 17 17 TRP CZ2 C 13 112.268 0.025 . 1 . . . . 17 TRP CZ2 . 18405 1
141 . 1 1 17 17 TRP CZ3 C 13 119.413 0.025 . 1 . . . . 17 TRP CZ3 . 18405 1
142 . 1 1 17 17 TRP CH2 C 13 122.267 0.025 . 1 . . . . 17 TRP CH2 . 18405 1
143 . 1 1 18 18 ILE H H 1 7.112 0.0025 . 1 . . . . 18 ILE H . 18405 1
144 . 1 1 18 18 ILE HA H 1 4.343 0.0025 . 1 . . . . 18 ILE HA . 18405 1
145 . 1 1 18 18 ILE HB H 1 1.812 0.0025 . 1 . . . . 18 ILE HB . 18405 1
146 . 1 1 18 18 ILE HG12 H 1 1.200 0.0025 . 2 . . . . 18 ILE HG12 . 18405 1
147 . 1 1 18 18 ILE HG13 H 1 1.590 0.0025 . 2 . . . . 18 ILE HG13 . 18405 1
148 . 1 1 18 18 ILE HG21 H 1 0.945 0.0025 . 1 . . . . 18 ILE HG21 . 18405 1
149 . 1 1 18 18 ILE HG22 H 1 0.945 0.0025 . 1 . . . . 18 ILE HG22 . 18405 1
150 . 1 1 18 18 ILE HG23 H 1 0.945 0.0025 . 1 . . . . 18 ILE HG23 . 18405 1
151 . 1 1 18 18 ILE HD11 H 1 0.945 0.0025 . 1 . . . . 18 ILE HD11 . 18405 1
152 . 1 1 18 18 ILE HD12 H 1 0.945 0.0025 . 1 . . . . 18 ILE HD12 . 18405 1
153 . 1 1 18 18 ILE HD13 H 1 0.945 0.0025 . 1 . . . . 18 ILE HD13 . 18405 1
154 . 1 1 18 18 ILE CA C 13 58.55 0.025 . 1 . . . . 18 ILE CA . 18405 1
155 . 1 1 18 18 ILE CB C 13 38.017 0.025 . 1 . . . . 18 ILE CB . 18405 1
156 . 1 1 18 18 ILE CG1 C 13 25.65 0.025 . 1 . . . . 18 ILE CG1 . 18405 1
157 . 1 1 18 18 ILE CG2 C 13 15.4 0.025 . 1 . . . . 18 ILE CG2 . 18405 1
158 . 1 1 18 18 ILE CD1 C 13 10.8 0.025 . 1 . . . . 18 ILE CD1 . 18405 1
159 . 1 1 19 19 CYS H H 1 8.517 0.0025 . 1 . . . . 19 CYS H . 18405 1
160 . 1 1 19 19 CYS HA H 1 4.845 0.0025 . 1 . . . . 19 CYS HA . 18405 1
161 . 1 1 19 19 CYS HB2 H 1 2.730 0.0025 . 2 . . . . 19 CYS HB2 . 18405 1
162 . 1 1 19 19 CYS HB3 H 1 3.141 0.0025 . 2 . . . . 19 CYS HB3 . 18405 1
163 . 1 1 19 19 CYS CA C 13 52.59 0.025 . 1 . . . . 19 CYS CA . 18405 1
164 . 1 1 19 19 CYS CB C 13 42.427 0.025 . 1 . . . . 19 CYS CB . 18405 1
165 . 1 1 20 20 VAL H H 1 7.863 0.0025 . 1 . . . . 20 VAL H . 18405 1
166 . 1 1 20 20 VAL HA H 1 4.255 0.0025 . 1 . . . . 20 VAL HA . 18405 1
167 . 1 1 20 20 VAL HB H 1 2.167 0.0025 . 1 . . . . 20 VAL HB . 18405 1
168 . 1 1 20 20 VAL HG11 H 1 0.930 0.0025 . 2 . . . . 20 VAL HG11 . 18405 1
169 . 1 1 20 20 VAL HG12 H 1 0.930 0.0025 . 2 . . . . 20 VAL HG12 . 18405 1
170 . 1 1 20 20 VAL HG13 H 1 0.930 0.0025 . 2 . . . . 20 VAL HG13 . 18405 1
171 . 1 1 20 20 VAL HG21 H 1 0.920 0.0025 . 2 . . . . 20 VAL HG21 . 18405 1
172 . 1 1 20 20 VAL HG22 H 1 0.920 0.0025 . 2 . . . . 20 VAL HG22 . 18405 1
173 . 1 1 20 20 VAL HG23 H 1 0.920 0.0025 . 2 . . . . 20 VAL HG23 . 18405 1
174 . 1 1 20 20 VAL CA C 13 59.807 0.025 . 1 . . . . 20 VAL CA . 18405 1
175 . 1 1 20 20 VAL CB C 13 31.885 0.025 . 1 . . . . 20 VAL CB . 18405 1
176 . 1 1 20 20 VAL CG1 C 13 19.43 0.025 . 2 . . . . 20 VAL CG1 . 18405 1
177 . 1 1 20 20 VAL CG2 C 13 17.88 0.025 . 2 . . . . 20 VAL CG2 . 18405 1
stop_
save_