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 30750
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 1D . . . 30750 1
2 '2D 1H-1H TOCSY' . . . 30750 1
3 '2D 1H-1H NOESY' . . . 30750 1
4 '2D 1H-15N HSQC' . . . 30750 1
5 1D . . . 30750 1
6 '2D 1H-13C HSQC' . . . 30750 1
7 '2D 1H-1H NOESY' . . . 30750 1
8 '2D 1H-1H TOCSY' . . . 30750 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 ALA HA H 1 3.990 0.003 . . . . . . A 1 ALA HA . 30750 1
2 . 1 . 1 1 1 ALA HB1 H 1 1.418 0.002 . . . . . . A 1 ALA HB1 . 30750 1
3 . 1 . 1 1 1 ALA HB2 H 1 1.418 0.002 . . . . . . A 1 ALA HB2 . 30750 1
4 . 1 . 1 1 1 ALA HB3 H 1 1.418 0.002 . . . . . . A 1 ALA HB3 . 30750 1
5 . 1 . 1 1 1 ALA CA C 13 52.248 0.000 . . . . . . A 1 ALA CA . 30750 1
6 . 1 . 1 1 1 ALA CB C 13 19.862 0.000 . . . . . . A 1 ALA CB . 30750 1
7 . 1 . 1 2 2 CYS HA H 1 4.508 0.003 . . . . . . A 2 CYS HA . 30750 1
8 . 1 . 1 2 2 CYS HB2 H 1 3.176 0.002 . . . . . . A 2 CYS HB2 . 30750 1
9 . 1 . 1 2 2 CYS HB3 H 1 2.916 0.003 . . . . . . A 2 CYS HB3 . 30750 1
10 . 1 . 1 2 2 CYS CA C 13 56.333 0.000 . . . . . . A 2 CYS CA . 30750 1
11 . 1 . 1 2 2 CYS CB C 13 43.447 0.025 . . . . . . A 2 CYS CB . 30750 1
12 . 1 . 1 3 3 LYS H H 1 8.442 0.003 . . . . . . A 3 LYS H . 30750 1
13 . 1 . 1 3 3 LYS HA H 1 4.140 0.004 . . . . . . A 3 LYS HA . 30750 1
14 . 1 . 1 3 3 LYS HB2 H 1 1.713 0.003 . . . . . . A 3 LYS HB2 . 30750 1
15 . 1 . 1 3 3 LYS HB3 H 1 1.713 0.003 . . . . . . A 3 LYS HB3 . 30750 1
16 . 1 . 1 3 3 LYS HG2 H 1 1.326 0.001 . . . . . . A 3 LYS HG2 . 30750 1
17 . 1 . 1 3 3 LYS HG3 H 1 1.326 0.001 . . . . . . A 3 LYS HG3 . 30750 1
18 . 1 . 1 3 3 LYS HD2 H 1 1.590 0.001 . . . . . . A 3 LYS HD2 . 30750 1
19 . 1 . 1 3 3 LYS HD3 H 1 1.590 0.001 . . . . . . A 3 LYS HD3 . 30750 1
20 . 1 . 1 3 3 LYS HE2 H 1 2.903 0.002 . . . . . . A 3 LYS HE2 . 30750 1
21 . 1 . 1 3 3 LYS HE3 H 1 2.903 0.002 . . . . . . A 3 LYS HE3 . 30750 1
22 . 1 . 1 3 3 LYS CA C 13 57.290 0.000 . . . . . . A 3 LYS CA . 30750 1
23 . 1 . 1 3 3 LYS CB C 13 33.929 0.000 . . . . . . A 3 LYS CB . 30750 1
24 . 1 . 1 3 3 LYS CG C 13 25.420 0.000 . . . . . . A 3 LYS CG . 30750 1
25 . 1 . 1 3 3 LYS CD C 13 29.492 0.000 . . . . . . A 3 LYS CD . 30750 1
26 . 1 . 1 3 3 LYS CE C 13 42.405 0.000 . . . . . . A 3 LYS CE . 30750 1
27 . 1 . 1 3 3 LYS N N 15 122.837 0.000 . . . . . . A 3 LYS N . 30750 1
28 . 1 . 1 4 4 GLU H H 1 7.579 0.001 . . . . . . A 4 GLU H . 30750 1
29 . 1 . 1 4 4 GLU HA H 1 4.250 0.004 . . . . . . A 4 GLU HA . 30750 1
30 . 1 . 1 4 4 GLU HB2 H 1 1.351 0.008 . . . . . . A 4 GLU HB2 . 30750 1
31 . 1 . 1 4 4 GLU HB3 H 1 1.247 0.008 . . . . . . A 4 GLU HB3 . 30750 1
32 . 1 . 1 4 4 GLU HG2 H 1 2.077 0.004 . . . . . . A 4 GLU HG2 . 30750 1
33 . 1 . 1 4 4 GLU HG3 H 1 2.077 0.004 . . . . . . A 4 GLU HG3 . 30750 1
34 . 1 . 1 4 4 GLU CA C 13 55.339 0.000 . . . . . . A 4 GLU CA . 30750 1
35 . 1 . 1 4 4 GLU CB C 13 30.511 0.013 . . . . . . A 4 GLU CB . 30750 1
36 . 1 . 1 4 4 GLU CG C 13 35.276 0.000 . . . . . . A 4 GLU CG . 30750 1
37 . 1 . 1 4 4 GLU N N 15 116.571 0.000 . . . . . . A 4 GLU N . 30750 1
38 . 1 . 1 5 5 TYR H H 1 8.160 0.003 . . . . . . A 5 TYR H . 30750 1
39 . 1 . 1 5 5 TYR HA H 1 4.064 0.001 . . . . . . A 5 TYR HA . 30750 1
40 . 1 . 1 5 5 TYR HB2 H 1 2.940 0.003 . . . . . . A 5 TYR HB2 . 30750 1
41 . 1 . 1 5 5 TYR HB3 H 1 2.841 0.003 . . . . . . A 5 TYR HB3 . 30750 1
42 . 1 . 1 5 5 TYR HD1 H 1 6.885 0.002 . . . . . . A 5 TYR HD1 . 30750 1
43 . 1 . 1 5 5 TYR HD2 H 1 6.885 0.002 . . . . . . A 5 TYR HD2 . 30750 1
44 . 1 . 1 5 5 TYR HE1 H 1 6.693 0.000 . . . . . . A 5 TYR HE1 . 30750 1
45 . 1 . 1 5 5 TYR HE2 H 1 6.693 0.000 . . . . . . A 5 TYR HE2 . 30750 1
46 . 1 . 1 5 5 TYR CA C 13 61.380 0.000 . . . . . . A 5 TYR CA . 30750 1
47 . 1 . 1 5 5 TYR CB C 13 38.654 0.002 . . . . . . A 5 TYR CB . 30750 1
48 . 1 . 1 5 5 TYR N N 15 120.863 0.000 . . . . . . A 5 TYR N . 30750 1
49 . 1 . 1 6 6 TRP H H 1 7.236 0.001 . . . . . . A 6 TRP H . 30750 1
50 . 1 . 1 6 6 TRP HA H 1 4.373 0.004 . . . . . . A 6 TRP HA . 30750 1
51 . 1 . 1 6 6 TRP HB2 H 1 3.296 0.005 . . . . . . A 6 TRP HB2 . 30750 1
52 . 1 . 1 6 6 TRP HB3 H 1 3.075 0.005 . . . . . . A 6 TRP HB3 . 30750 1
53 . 1 . 1 6 6 TRP HD1 H 1 7.129 0.002 . . . . . . A 6 TRP HD1 . 30750 1
54 . 1 . 1 6 6 TRP HE1 H 1 10.157 0.007 . . . . . . A 6 TRP HE1 . 30750 1
55 . 1 . 1 6 6 TRP HE3 H 1 7.197 0.003 . . . . . . A 6 TRP HE3 . 30750 1
56 . 1 . 1 6 6 TRP HZ2 H 1 7.386 0.004 . . . . . . A 6 TRP HZ2 . 30750 1
57 . 1 . 1 6 6 TRP HZ3 H 1 7.018 0.001 . . . . . . A 6 TRP HZ3 . 30750 1
58 . 1 . 1 6 6 TRP HH2 H 1 7.131 0.004 . . . . . . A 6 TRP HH2 . 30750 1
59 . 1 . 1 6 6 TRP CA C 13 58.769 0.000 . . . . . . A 6 TRP CA . 30750 1
60 . 1 . 1 6 6 TRP CB C 13 28.910 0.008 . . . . . . A 6 TRP CB . 30750 1
61 . 1 . 1 6 6 TRP N N 15 116.495 0.000 . . . . . . A 6 TRP N . 30750 1
62 . 1 . 1 6 6 TRP NE1 N 15 130.088 0.000 . . . . . . A 6 TRP NE1 . 30750 1
63 . 1 . 1 7 7 GLU H H 1 7.371 0.003 . . . . . . A 7 GLU H . 30750 1
64 . 1 . 1 7 7 GLU HA H 1 4.130 0.002 . . . . . . A 7 GLU HA . 30750 1
65 . 1 . 1 7 7 GLU HB2 H 1 1.928 0.007 . . . . . . A 7 GLU HB2 . 30750 1
66 . 1 . 1 7 7 GLU HB3 H 1 1.785 0.019 . . . . . . A 7 GLU HB3 . 30750 1
67 . 1 . 1 7 7 GLU HG2 H 1 1.931 0.011 . . . . . . A 7 GLU HG2 . 30750 1
68 . 1 . 1 7 7 GLU CA C 13 58.201 0.000 . . . . . . A 7 GLU CA . 30750 1
69 . 1 . 1 7 7 GLU CB C 13 30.285 0.004 . . . . . . A 7 GLU CB . 30750 1
70 . 1 . 1 7 7 GLU CG C 13 35.299 0.037 . . . . . . A 7 GLU CG . 30750 1
71 . 1 . 1 7 7 GLU N N 15 118.096 0.000 . . . . . . A 7 GLU N . 30750 1
72 . 1 . 1 8 8 CYS H H 1 7.664 0.001 . . . . . . A 8 CYS H . 30750 1
73 . 1 . 1 8 8 CYS HA H 1 4.624 0.003 . . . . . . A 8 CYS HA . 30750 1
74 . 1 . 1 8 8 CYS HB2 H 1 3.172 0.004 . . . . . . A 8 CYS HB2 . 30750 1
75 . 1 . 1 8 8 CYS HB3 H 1 3.057 0.002 . . . . . . A 8 CYS HB3 . 30750 1
76 . 1 . 1 8 8 CYS CA C 13 56.478 0.000 . . . . . . A 8 CYS CA . 30750 1
77 . 1 . 1 8 8 CYS CB C 13 42.793 0.008 . . . . . . A 8 CYS CB . 30750 1
78 . 1 . 1 8 8 CYS N N 15 115.528 0.000 . . . . . . A 8 CYS N . 30750 1
79 . 1 . 1 9 9 GLY H H 1 7.914 0.002 . . . . . . A 9 GLY H . 30750 1
80 . 1 . 1 9 9 GLY HA2 H 1 3.737 0.003 . . . . . . A 9 GLY HA2 . 30750 1
81 . 1 . 1 9 9 GLY HA3 H 1 3.855 0.002 . . . . . . A 9 GLY HA3 . 30750 1
82 . 1 . 1 9 9 GLY CA C 13 45.964 0.002 . . . . . . A 9 GLY CA . 30750 1
83 . 1 . 1 9 9 GLY N N 15 108.149 0.000 . . . . . . A 9 GLY N . 30750 1
84 . 1 . 1 10 10 ALA H H 1 7.730 0.003 . . . . . . A 10 ALA H . 30750 1
85 . 1 . 1 10 10 ALA HA H 1 4.506 0.010 . . . . . . A 10 ALA HA . 30750 1
86 . 1 . 1 10 10 ALA HB1 H 1 1.167 0.002 . . . . . . A 10 ALA HB1 . 30750 1
87 . 1 . 1 10 10 ALA HB2 H 1 1.167 0.002 . . . . . . A 10 ALA HB2 . 30750 1
88 . 1 . 1 10 10 ALA HB3 H 1 1.167 0.002 . . . . . . A 10 ALA HB3 . 30750 1
89 . 1 . 1 10 10 ALA CA C 13 52.404 0.000 . . . . . . A 10 ALA CA . 30750 1
90 . 1 . 1 10 10 ALA CB C 13 21.060 0.000 . . . . . . A 10 ALA CB . 30750 1
91 . 1 . 1 11 11 PHE H H 1 8.234 0.002 . . . . . . A 11 PHE H . 30750 1
92 . 1 . 1 11 11 PHE HA H 1 4.852 0.001 . . . . . . A 11 PHE HA . 30750 1
93 . 1 . 1 11 11 PHE HB2 H 1 3.104 0.002 . . . . . . A 11 PHE HB2 . 30750 1
94 . 1 . 1 11 11 PHE HB3 H 1 2.974 0.001 . . . . . . A 11 PHE HB3 . 30750 1
95 . 1 . 1 11 11 PHE CB C 13 41.248 0.010 . . . . . . A 11 PHE CB . 30750 1
96 . 1 . 1 12 12 LEU HA H 1 4.699 0.010 . . . . . . A 12 LEU HA . 30750 1
97 . 1 . 1 12 12 LEU HB2 H 1 1.515 0.006 . . . . . . A 12 LEU HB2 . 30750 1
98 . 1 . 1 12 12 LEU HB3 H 1 1.319 0.004 . . . . . . A 12 LEU HB3 . 30750 1
99 . 1 . 1 12 12 LEU HG H 1 0.738 0.002 . . . . . . A 12 LEU HG . 30750 1
100 . 1 . 1 12 12 LEU HD11 H 1 0.653 0.000 . . . . . . A 12 LEU HD11 . 30750 1
101 . 1 . 1 12 12 LEU HD12 H 1 0.653 0.000 . . . . . . A 12 LEU HD12 . 30750 1
102 . 1 . 1 12 12 LEU HD13 H 1 0.653 0.000 . . . . . . A 12 LEU HD13 . 30750 1
103 . 1 . 1 12 12 LEU HD21 H 1 0.652 0.000 . . . . . . A 12 LEU HD21 . 30750 1
104 . 1 . 1 12 12 LEU HD22 H 1 0.652 0.000 . . . . . . A 12 LEU HD22 . 30750 1
105 . 1 . 1 12 12 LEU HD23 H 1 0.652 0.000 . . . . . . A 12 LEU HD23 . 30750 1
106 . 1 . 1 12 12 LEU CB C 13 45.388 0.058 . . . . . . A 12 LEU CB . 30750 1
107 . 1 . 1 12 12 LEU CG C 13 25.829 0.000 . . . . . . A 12 LEU CG . 30750 1
108 . 1 . 1 12 12 LEU CD1 C 13 24.415 0.000 . . . . . . A 12 LEU CD1 . 30750 1
109 . 1 . 1 12 12 LEU CD2 C 13 24.415 0.000 . . . . . . A 12 LEU CD2 . 30750 1
110 . 1 . 1 13 13 PHE H H 1 8.754 0.001 . . . . . . A 13 PHE H . 30750 1
111 . 1 . 1 13 13 PHE HA H 1 4.890 0.015 . . . . . . A 13 PHE HA . 30750 1
112 . 1 . 1 13 13 PHE HB2 H 1 2.974 0.004 . . . . . . A 13 PHE HB2 . 30750 1
113 . 1 . 1 13 13 PHE HB3 H 1 2.974 0.004 . . . . . . A 13 PHE HB3 . 30750 1
114 . 1 . 1 13 13 PHE HD1 H 1 7.230 0.002 . . . . . . A 13 PHE HD1 . 30750 1
115 . 1 . 1 13 13 PHE HD2 H 1 7.230 0.002 . . . . . . A 13 PHE HD2 . 30750 1
116 . 1 . 1 13 13 PHE HE1 H 1 7.155 0.000 . . . . . . A 13 PHE HE1 . 30750 1
117 . 1 . 1 13 13 PHE HE2 H 1 7.155 0.000 . . . . . . A 13 PHE HE2 . 30750 1
118 . 1 . 1 13 13 PHE CA C 13 57.086 0.000 . . . . . . A 13 PHE CA . 30750 1
119 . 1 . 1 13 13 PHE CB C 13 41.822 0.000 . . . . . . A 13 PHE CB . 30750 1
120 . 1 . 1 14 14 CYS H H 1 8.150 0.003 . . . . . . A 14 CYS H . 30750 1
121 . 1 . 1 14 14 CYS HA H 1 5.528 0.002 . . . . . . A 14 CYS HA . 30750 1
122 . 1 . 1 14 14 CYS HB2 H 1 2.835 0.001 . . . . . . A 14 CYS HB2 . 30750 1
123 . 1 . 1 14 14 CYS HB3 H 1 2.528 0.001 . . . . . . A 14 CYS HB3 . 30750 1
124 . 1 . 1 14 14 CYS CB C 13 49.188 0.019 . . . . . . A 14 CYS CB . 30750 1
125 . 1 . 1 15 15 ILE H H 1 8.510 0.005 . . . . . . A 15 ILE H . 30750 1
126 . 1 . 1 15 15 ILE HA H 1 4.054 0.003 . . . . . . A 15 ILE HA . 30750 1
127 . 1 . 1 15 15 ILE HB H 1 1.583 0.002 . . . . . . A 15 ILE HB . 30750 1
128 . 1 . 1 15 15 ILE HG12 H 1 1.307 0.002 . . . . . . A 15 ILE HG12 . 30750 1
129 . 1 . 1 15 15 ILE HG13 H 1 1.307 0.002 . . . . . . A 15 ILE HG13 . 30750 1
130 . 1 . 1 15 15 ILE HG21 H 1 0.820 0.003 . . . . . . A 15 ILE HG21 . 30750 1
131 . 1 . 1 15 15 ILE HG22 H 1 0.820 0.003 . . . . . . A 15 ILE HG22 . 30750 1
132 . 1 . 1 15 15 ILE HG23 H 1 0.820 0.003 . . . . . . A 15 ILE HG23 . 30750 1
133 . 1 . 1 15 15 ILE HD11 H 1 0.868 0.002 . . . . . . A 15 ILE HD11 . 30750 1
134 . 1 . 1 15 15 ILE HD12 H 1 0.868 0.002 . . . . . . A 15 ILE HD12 . 30750 1
135 . 1 . 1 15 15 ILE HD13 H 1 0.868 0.002 . . . . . . A 15 ILE HD13 . 30750 1
136 . 1 . 1 15 15 ILE CA C 13 61.003 0.000 . . . . . . A 15 ILE CA . 30750 1
137 . 1 . 1 15 15 ILE CB C 13 41.463 0.000 . . . . . . A 15 ILE CB . 30750 1
138 . 1 . 1 15 15 ILE CG1 C 13 28.522 0.000 . . . . . . A 15 ILE CG1 . 30750 1
139 . 1 . 1 15 15 ILE CD1 C 13 14.240 0.000 . . . . . . A 15 ILE CD1 . 30750 1
140 . 1 . 1 15 15 ILE N N 15 121.356 0.000 . . . . . . A 15 ILE N . 30750 1
141 . 1 . 1 16 16 GLU H H 1 8.861 0.003 . . . . . . A 16 GLU H . 30750 1
142 . 1 . 1 16 16 GLU HA H 1 3.678 0.007 . . . . . . A 16 GLU HA . 30750 1
143 . 1 . 1 16 16 GLU HB2 H 1 2.244 0.005 . . . . . . A 16 GLU HB2 . 30750 1
144 . 1 . 1 16 16 GLU HB3 H 1 1.923 0.006 . . . . . . A 16 GLU HB3 . 30750 1
145 . 1 . 1 16 16 GLU HG2 H 1 2.328 0.013 . . . . . . A 16 GLU HG2 . 30750 1
146 . 1 . 1 16 16 GLU HG3 H 1 2.311 0.011 . . . . . . A 16 GLU HG3 . 30750 1
147 . 1 . 1 16 16 GLU CA C 13 57.331 0.000 . . . . . . A 16 GLU CA . 30750 1
148 . 1 . 1 16 16 GLU CB C 13 27.632 0.003 . . . . . . A 16 GLU CB . 30750 1
149 . 1 . 1 16 16 GLU CG C 13 34.799 0.001 . . . . . . A 16 GLU CG . 30750 1
150 . 1 . 1 16 16 GLU N N 15 123.065 0.000 . . . . . . A 16 GLU N . 30750 1
151 . 1 . 1 17 17 GLY H H 1 8.008 0.003 . . . . . . A 17 GLY H . 30750 1
152 . 1 . 1 17 17 GLY HA2 H 1 3.438 0.017 . . . . . . A 17 GLY HA2 . 30750 1
153 . 1 . 1 17 17 GLY HA3 H 1 4.001 0.016 . . . . . . A 17 GLY HA3 . 30750 1
154 . 1 . 1 17 17 GLY CA C 13 45.850 0.008 . . . . . . A 17 GLY CA . 30750 1
155 . 1 . 1 17 17 GLY N N 15 103.084 0.000 . . . . . . A 17 GLY N . 30750 1
156 . 1 . 1 18 18 ILE H H 1 7.839 0.004 . . . . . . A 18 ILE H . 30750 1
157 . 1 . 1 18 18 ILE HA H 1 4.260 0.002 . . . . . . A 18 ILE HA . 30750 1
158 . 1 . 1 18 18 ILE HB H 1 1.979 0.003 . . . . . . A 18 ILE HB . 30750 1
159 . 1 . 1 18 18 ILE HG12 H 1 1.451 0.001 . . . . . . A 18 ILE HG12 . 30750 1
160 . 1 . 1 18 18 ILE HG13 H 1 1.122 0.001 . . . . . . A 18 ILE HG13 . 30750 1
161 . 1 . 1 18 18 ILE HG21 H 1 0.809 0.000 . . . . . . A 18 ILE HG21 . 30750 1
162 . 1 . 1 18 18 ILE HG22 H 1 0.809 0.000 . . . . . . A 18 ILE HG22 . 30750 1
163 . 1 . 1 18 18 ILE HG23 H 1 0.809 0.000 . . . . . . A 18 ILE HG23 . 30750 1
164 . 1 . 1 18 18 ILE HD11 H 1 0.809 0.002 . . . . . . A 18 ILE HD11 . 30750 1
165 . 1 . 1 18 18 ILE HD12 H 1 0.809 0.002 . . . . . . A 18 ILE HD12 . 30750 1
166 . 1 . 1 18 18 ILE HD13 H 1 0.809 0.002 . . . . . . A 18 ILE HD13 . 30750 1
167 . 1 . 1 18 18 ILE CA C 13 60.508 0.000 . . . . . . A 18 ILE CA . 30750 1
168 . 1 . 1 18 18 ILE CB C 13 39.284 0.000 . . . . . . A 18 ILE CB . 30750 1
169 . 1 . 1 18 18 ILE CG1 C 13 27.595 0.009 . . . . . . A 18 ILE CG1 . 30750 1
170 . 1 . 1 18 18 ILE CD1 C 13 13.758 0.000 . . . . . . A 18 ILE CD1 . 30750 1
171 . 1 . 1 18 18 ILE N N 15 121.431 0.000 . . . . . . A 18 ILE N . 30750 1
172 . 1 . 1 19 19 CYS H H 1 8.267 0.004 . . . . . . A 19 CYS H . 30750 1
173 . 1 . 1 19 19 CYS HA H 1 5.556 0.005 . . . . . . A 19 CYS HA . 30750 1
174 . 1 . 1 19 19 CYS HB2 H 1 2.849 0.002 . . . . . . A 19 CYS HB2 . 30750 1
175 . 1 . 1 19 19 CYS HB3 H 1 2.558 0.007 . . . . . . A 19 CYS HB3 . 30750 1
176 . 1 . 1 19 19 CYS CA C 13 55.403 0.000 . . . . . . A 19 CYS CA . 30750 1
177 . 1 . 1 19 19 CYS CB C 13 48.241 0.004 . . . . . . A 19 CYS CB . 30750 1
178 . 1 . 1 19 19 CYS N N 15 123.468 0.000 . . . . . . A 19 CYS N . 30750 1
179 . 1 . 1 20 20 VAL H H 1 8.884 0.005 . . . . . . A 20 VAL H . 30750 1
180 . 1 . 1 20 20 VAL HA H 1 4.743 0.003 . . . . . . A 20 VAL HA . 30750 1
181 . 1 . 1 20 20 VAL HB H 1 2.165 0.003 . . . . . . A 20 VAL HB . 30750 1
182 . 1 . 1 20 20 VAL HG11 H 1 0.973 0.004 . . . . . . A 20 VAL HG11 . 30750 1
183 . 1 . 1 20 20 VAL HG12 H 1 0.973 0.004 . . . . . . A 20 VAL HG12 . 30750 1
184 . 1 . 1 20 20 VAL HG13 H 1 0.973 0.004 . . . . . . A 20 VAL HG13 . 30750 1
185 . 1 . 1 20 20 VAL HG21 H 1 0.975 0.005 . . . . . . A 20 VAL HG21 . 30750 1
186 . 1 . 1 20 20 VAL HG22 H 1 0.975 0.005 . . . . . . A 20 VAL HG22 . 30750 1
187 . 1 . 1 20 20 VAL HG23 H 1 0.975 0.005 . . . . . . A 20 VAL HG23 . 30750 1
188 . 1 . 1 20 20 VAL CA C 13 58.585 0.000 . . . . . . A 20 VAL CA . 30750 1
189 . 1 . 1 20 20 VAL CB C 13 35.091 0.000 . . . . . . A 20 VAL CB . 30750 1
190 . 1 . 1 20 20 VAL CG1 C 13 22.098 0.000 . . . . . . A 20 VAL CG1 . 30750 1
191 . 1 . 1 20 20 VAL CG2 C 13 20.282 0.000 . . . . . . A 20 VAL CG2 . 30750 1
192 . 1 . 1 21 21 PRO HA H 1 4.720 0.009 . . . . . . A 21 PRO HA . 30750 1
193 . 1 . 1 21 21 PRO HB2 H 1 2.083 0.004 . . . . . . A 21 PRO HB2 . 30750 1
194 . 1 . 1 21 21 PRO HB3 H 1 1.846 0.002 . . . . . . A 21 PRO HB3 . 30750 1
195 . 1 . 1 21 21 PRO HG2 H 1 2.081 0.003 . . . . . . A 21 PRO HG2 . 30750 1
196 . 1 . 1 21 21 PRO HG3 H 1 1.845 0.002 . . . . . . A 21 PRO HG3 . 30750 1
197 . 1 . 1 21 21 PRO HD2 H 1 3.692 0.001 . . . . . . A 21 PRO HD2 . 30750 1
198 . 1 . 1 21 21 PRO HD3 H 1 3.692 0.001 . . . . . . A 21 PRO HD3 . 30750 1
199 . 1 . 1 21 21 PRO CA C 13 63.215 0.000 . . . . . . A 21 PRO CA . 30750 1
200 . 1 . 1 21 21 PRO CB C 13 32.686 0.016 . . . . . . A 21 PRO CB . 30750 1
201 . 1 . 1 21 21 PRO CG C 13 28.131 0.004 . . . . . . A 21 PRO CG . 30750 1
202 . 1 . 1 21 21 PRO CD C 13 51.417 0.000 . . . . . . A 21 PRO CD . 30750 1
203 . 1 . 1 22 22 MET H H 1 8.425 0.005 . . . . . . A 22 MET H . 30750 1
204 . 1 . 1 22 22 MET HA H 1 4.482 0.011 . . . . . . A 22 MET HA . 30750 1
205 . 1 . 1 22 22 MET HB2 H 1 1.824 0.002 . . . . . . A 22 MET HB2 . 30750 1
206 . 1 . 1 22 22 MET HB3 H 1 1.631 0.007 . . . . . . A 22 MET HB3 . 30750 1
207 . 1 . 1 22 22 MET HG2 H 1 2.368 0.012 . . . . . . A 22 MET HG2 . 30750 1
208 . 1 . 1 22 22 MET HG3 H 1 2.368 0.012 . . . . . . A 22 MET HG3 . 30750 1
209 . 1 . 1 22 22 MET HE1 H 1 1.890 0.000 . . . . . . A 22 MET HE1 . 30750 1
210 . 1 . 1 22 22 MET HE2 H 1 1.890 0.000 . . . . . . A 22 MET HE2 . 30750 1
211 . 1 . 1 22 22 MET HE3 H 1 1.890 0.000 . . . . . . A 22 MET HE3 . 30750 1
212 . 1 . 1 22 22 MET CA C 13 55.472 0.000 . . . . . . A 22 MET CA . 30750 1
213 . 1 . 1 22 22 MET CB C 13 35.015 0.000 . . . . . . A 22 MET CB . 30750 1
214 . 1 . 1 22 22 MET CG C 13 33.088 0.000 . . . . . . A 22 MET CG . 30750 1
215 . 1 . 1 22 22 MET CE C 13 17.820 0.000 . . . . . . A 22 MET CE . 30750 1
216 . 1 . 1 22 22 MET N N 15 120.764 0.000 . . . . . . A 22 MET N . 30750 1
217 . 1 . 1 23 23 ILE H H 1 7.673 0.002 . . . . . . A 23 ILE H . 30750 1
218 . 1 . 1 23 23 ILE HA H 1 4.210 0.005 . . . . . . A 23 ILE HA . 30750 1
219 . 1 . 1 23 23 ILE HB H 1 1.762 0.002 . . . . . . A 23 ILE HB . 30750 1
220 . 1 . 1 23 23 ILE HG12 H 1 1.414 0.001 . . . . . . A 23 ILE HG12 . 30750 1
221 . 1 . 1 23 23 ILE HG13 H 1 1.099 0.009 . . . . . . A 23 ILE HG13 . 30750 1
222 . 1 . 1 23 23 ILE HG21 H 1 0.863 0.003 . . . . . . A 23 ILE HG21 . 30750 1
223 . 1 . 1 23 23 ILE HG22 H 1 0.863 0.003 . . . . . . A 23 ILE HG22 . 30750 1
224 . 1 . 1 23 23 ILE HG23 H 1 0.863 0.003 . . . . . . A 23 ILE HG23 . 30750 1
225 . 1 . 1 23 23 ILE HD11 H 1 0.812 0.002 . . . . . . A 23 ILE HD11 . 30750 1
226 . 1 . 1 23 23 ILE HD12 H 1 0.812 0.002 . . . . . . A 23 ILE HD12 . 30750 1
227 . 1 . 1 23 23 ILE HD13 H 1 0.812 0.002 . . . . . . A 23 ILE HD13 . 30750 1
228 . 1 . 1 23 23 ILE CA C 13 60.865 0.000 . . . . . . A 23 ILE CA . 30750 1
229 . 1 . 1 23 23 ILE CB C 13 39.724 0.000 . . . . . . A 23 ILE CB . 30750 1
230 . 1 . 1 23 23 ILE CG1 C 13 27.866 0.000 . . . . . . A 23 ILE CG1 . 30750 1
231 . 1 . 1 23 23 ILE CG2 C 13 18.266 0.000 . . . . . . A 23 ILE CG2 . 30750 1
232 . 1 . 1 23 23 ILE N N 15 119.812 0.000 . . . . . . A 23 ILE N . 30750 1
233 . 1 . 1 24 24 NH2 N N 15 109.688 0.000 . . . . . . A 24 NH2 N . 30750 1
234 . 1 . 1 24 24 NH2 HN1 H 1 7.465 0.000 . . . . . . A 24 NH2 HN1 . 30750 1
235 . 1 . 1 24 24 NH2 HN2 H 1 6.815 0.000 . . . . . . A 24 NH2 HN2 . 30750 1
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