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 51901
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name Tst2_NMR-STAR
_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 '2D 1H-1H NOESY' . . . 51901 1
2 '3D 15N-separated NOESY' . . . 51901 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
1 $software_1 . . 51901 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 GLY HA2 H 1 3.853 0.001 . . . . . . . 1 G HA . 51901 1
2 . 1 . 1 1 1 GLY HA3 H 1 3.853 0.001 . . . . . . . 1 G HA . 51901 1
3 . 1 . 1 2 2 CYS H H 1 8.616 0.002 . . . . . . . 2 C H . 51901 1
4 . 1 . 1 2 2 CYS HA H 1 4.780 0.005 . . . . . . . 2 C HA . 51901 1
5 . 1 . 1 2 2 CYS HB2 H 1 3.125 0.005 . . . . . . . 2 C HB2 . 51901 1
6 . 1 . 1 2 2 CYS HB3 H 1 2.973 0.005 . . . . . . . 2 C HB3 . 51901 1
7 . 1 . 1 3 3 LYS H H 1 9.058 0.004 . . . . . . . 3 K H . 51901 1
8 . 1 . 1 3 3 LYS HA H 1 4.451 0.006 . . . . . . . 3 K HA . 51901 1
9 . 1 . 1 3 3 LYS HB2 H 1 1.899 0.005 . . . . . . . 3 K HB2 . 51901 1
10 . 1 . 1 3 3 LYS HB3 H 1 1.802 0.007 . . . . . . . 3 K HB3 . 51901 1
11 . 1 . 1 3 3 LYS HG2 H 1 1.579 0.017 . . . . . . . 3 K HG2 . 51901 1
12 . 1 . 1 3 3 LYS HG3 H 1 1.475 0.013 . . . . . . . 3 K HG3 . 51901 1
13 . 1 . 1 3 3 LYS HD2 H 1 1.682 0.023 . . . . . . . 3 K HD . 51901 1
14 . 1 . 1 3 3 LYS HD3 H 1 1.682 0.023 . . . . . . . 3 K HD . 51901 1
15 . 1 . 1 3 3 LYS HE2 H 1 2.999 0.005 . . . . . . . 3 K HE . 51901 1
16 . 1 . 1 3 3 LYS HE3 H 1 2.999 0.005 . . . . . . . 3 K HE . 51901 1
17 . 1 . 1 4 4 GLY H H 1 8.398 0.006 . . . . . . . 4 G H . 51901 1
18 . 1 . 1 4 4 GLY HA2 H 1 4.152 0.003 . . . . . . . 4 G HA2 . 51901 1
19 . 1 . 1 4 4 GLY HA3 H 1 3.618 0.006 . . . . . . . 4 G HA3 . 51901 1
20 . 1 . 1 5 5 GLN H H 1 8.192 0.001 . . . . . . . 5 Q H . 51901 1
21 . 1 . 1 5 5 GLN HA H 1 3.653 0.007 . . . . . . . 5 Q HA . 51901 1
22 . 1 . 1 5 5 GLN HB2 H 1 2.079 0.005 . . . . . . . 5 Q HB2 . 51901 1
23 . 1 . 1 5 5 GLN HB3 H 1 1.771 0.004 . . . . . . . 5 Q HB3 . 51901 1
24 . 1 . 1 5 5 GLN HG2 H 1 2.418 0.010 . . . . . . . 5 Q HG2 . 51901 1
25 . 1 . 1 5 5 GLN HG3 H 1 2.231 0.007 . . . . . . . 5 Q HG3 . 51901 1
26 . 1 . 1 5 5 GLN HE21 H 1 7.789 0.016 . . . . . . . 5 Q HE21 . 51901 1
27 . 1 . 1 5 5 GLN HE22 H 1 6.990 0.002 . . . . . . . 5 Q HE22 . 51901 1
28 . 1 . 1 6 6 ASP H H 1 9.296 0.002 . . . . . . . 6 D H . 51901 1
29 . 1 . 1 6 6 ASP HA H 1 4.176 0.006 . . . . . . . 6 D HA . 51901 1
30 . 1 . 1 6 6 ASP HB2 H 1 3.226 0.013 . . . . . . . 6 D HB2 . 51901 1
31 . 1 . 1 6 6 ASP HB3 H 1 2.981 0.008 . . . . . . . 6 D HB3 . 51901 1
32 . 1 . 1 7 7 ALA H H 1 8.013 0.002 . . . . . . . 7 A H . 51901 1
33 . 1 . 1 7 7 ALA HA H 1 4.584 0.004 . . . . . . . 7 A HA . 51901 1
34 . 1 . 1 7 7 ALA HB1 H 1 1.367 0.004 . . . . . . . 7 A HB . 51901 1
35 . 1 . 1 7 7 ALA HB2 H 1 1.367 0.004 . . . . . . . 7 A HB . 51901 1
36 . 1 . 1 7 7 ALA HB3 H 1 1.367 0.004 . . . . . . . 7 A HB . 51901 1
37 . 1 . 1 8 8 PRO HA H 1 4.801 0.016 . . . . . . . 8 P HA . 51901 1
38 . 1 . 1 8 8 PRO HB2 H 1 2.383 0.009 . . . . . . . 8 P HB2 . 51901 1
39 . 1 . 1 8 8 PRO HB3 H 1 1.795 0.004 . . . . . . . 8 P HB3 . 51901 1
40 . 1 . 1 8 8 PRO HG2 H 1 2.059 0.009 . . . . . . . 8 P HG2 . 51901 1
41 . 1 . 1 8 8 PRO HG3 H 1 1.959 0.004 . . . . . . . 8 P HG3 . 51901 1
42 . 1 . 1 8 8 PRO HD2 H 1 3.912 0.002 . . . . . . . 8 P HD2 . 51901 1
43 . 1 . 1 8 8 PRO HD3 H 1 3.581 0.002 . . . . . . . 8 P HD3 . 51901 1
44 . 1 . 1 9 9 CYS H H 1 7.668 0.003 . . . . . . . 9 C H . 51901 1
45 . 1 . 1 9 9 CYS HA H 1 4.846 0.011 . . . . . . . 9 C HA . 51901 1
46 . 1 . 1 9 9 CYS HB2 H 1 3.220 0.007 . . . . . . . 9 C HB2 . 51901 1
47 . 1 . 1 9 9 CYS HB3 H 1 3.125 0.008 . . . . . . . 9 C HB3 . 51901 1
48 . 1 . 1 10 10 SER H H 1 9.124 0.005 . . . . . . . 10 S H . 51901 1
49 . 1 . 1 10 10 SER HA H 1 4.544 0.003 . . . . . . . 10 S HA . 51901 1
50 . 1 . 1 10 10 SER HB2 H 1 3.830 0.003 . . . . . . . 10 S HB . 51901 1
51 . 1 . 1 10 10 SER HB3 H 1 3.830 0.003 . . . . . . . 10 S HB . 51901 1
52 . 1 . 1 11 11 LYS H H 1 8.010 0.004 . . . . . . . 11 K H . 51901 1
53 . 1 . 1 11 11 LYS HA H 1 4.748 0.009 . . . . . . . 11 K HA . 51901 1
54 . 1 . 1 11 11 LYS HB2 H 1 1.964 0.005 . . . . . . . 11 K HB2 . 51901 1
55 . 1 . 1 11 11 LYS HB3 H 1 1.802 0.005 . . . . . . . 11 K HB3 . 51901 1
56 . 1 . 1 11 11 LYS HG2 H 1 1.423 0.008 . . . . . . . 11 K HG2 . 51901 1
57 . 1 . 1 11 11 LYS HG3 H 1 1.147 0.008 . . . . . . . 11 K HG3 . 51901 1
58 . 1 . 1 11 11 LYS HD2 H 1 1.627 0.008 . . . . . . . 11 K HD . 51901 1
59 . 1 . 1 11 11 LYS HD3 H 1 1.627 0.008 . . . . . . . 11 K HD . 51901 1
60 . 1 . 1 11 11 LYS HE2 H 1 2.949 0.004 . . . . . . . 11 K HE2 . 51901 1
61 . 1 . 1 11 11 LYS HE3 H 1 2.858 0.009 . . . . . . . 11 K HE3 . 51901 1
62 . 1 . 1 11 11 LYS HZ1 H 1 7.589 0.001 . . . . . . . 11 K HZ . 51901 1
63 . 1 . 1 11 11 LYS HZ2 H 1 7.589 0.001 . . . . . . . 11 K HZ . 51901 1
64 . 1 . 1 11 11 LYS HZ3 H 1 7.589 0.001 . . . . . . . 11 K HZ . 51901 1
65 . 1 . 1 12 12 SER H H 1 9.272 0.002 . . . . . . . 12 S H . 51901 1
66 . 1 . 1 12 12 SER HA H 1 4.853 0.001 . . . . . . . 12 S HA . 51901 1
67 . 1 . 1 12 12 SER HB2 H 1 4.035 0.005 . . . . . . . 12 S HB2 . 51901 1
68 . 1 . 1 12 12 SER HB3 H 1 3.929 0.003 . . . . . . . 12 S HB3 . 51901 1
69 . 1 . 1 13 13 LYS H H 1 8.183 0.002 . . . . . . . 13 K H . 51901 1
70 . 1 . 1 13 13 LYS HA H 1 4.145 0.004 . . . . . . . 13 K HA . 51901 1
71 . 1 . 1 13 13 LYS HB2 H 1 1.779 0.022 . . . . . . . 13 K HB . 51901 1
72 . 1 . 1 13 13 LYS HB3 H 1 1.779 0.022 . . . . . . . 13 K HB . 51901 1
73 . 1 . 1 13 13 LYS HG2 H 1 1.455 0.004 . . . . . . . 13 K HG . 51901 1
74 . 1 . 1 13 13 LYS HG3 H 1 1.455 0.004 . . . . . . . 13 K HG . 51901 1
75 . 1 . 1 13 13 LYS HD2 H 1 1.651 0.007 . . . . . . . 13 K HD . 51901 1
76 . 1 . 1 13 13 LYS HD3 H 1 1.651 0.007 . . . . . . . 13 K HD . 51901 1
77 . 1 . 1 13 13 LYS HE2 H 1 2.952 0.004 . . . . . . . 13 K HE . 51901 1
78 . 1 . 1 13 13 LYS HE3 H 1 2.952 0.004 . . . . . . . 13 K HE . 51901 1
79 . 1 . 1 13 13 LYS HZ1 H 1 7.561 0.000 . . . . . . . 13 K HZ . 51901 1
80 . 1 . 1 13 13 LYS HZ2 H 1 7.561 0.000 . . . . . . . 13 K HZ . 51901 1
81 . 1 . 1 13 13 LYS HZ3 H 1 7.561 0.000 . . . . . . . 13 K HZ . 51901 1
82 . 1 . 1 14 14 ASP H H 1 7.817 0.005 . . . . . . . 14 D H . 51901 1
83 . 1 . 1 14 14 ASP HA H 1 4.358 0.004 . . . . . . . 14 D HA . 51901 1
84 . 1 . 1 14 14 ASP HB2 H 1 3.004 0.005 . . . . . . . 14 D HB2 . 51901 1
85 . 1 . 1 14 14 ASP HB3 H 1 2.730 0.004 . . . . . . . 14 D HB3 . 51901 1
86 . 1 . 1 15 15 CYS H H 1 7.858 0.003 . . . . . . . 15 C H . 51901 1
87 . 1 . 1 15 15 CYS HA H 1 5.055 0.003 . . . . . . . 15 C HA . 51901 1
88 . 1 . 1 15 15 CYS HB2 H 1 2.937 0.009 . . . . . . . 15 C HB2 . 51901 1
89 . 1 . 1 15 15 CYS HB3 H 1 2.805 0.010 . . . . . . . 15 C HB3 . 51901 1
90 . 1 . 1 16 16 CYS H H 1 9.474 0.001 . . . . . . . 16 C H . 51901 1
91 . 1 . 1 16 16 CYS HA H 1 4.418 0.004 . . . . . . . 16 C HA . 51901 1
92 . 1 . 1 16 16 CYS HB2 H 1 2.997 0.006 . . . . . . . 16 C HB2 . 51901 1
93 . 1 . 1 16 16 CYS HB3 H 1 2.465 0.005 . . . . . . . 16 C HB3 . 51901 1
94 . 1 . 1 17 17 GLY H H 1 8.559 0.004 . . . . . . . 17 G H . 51901 1
95 . 1 . 1 17 17 GLY HA2 H 1 4.239 0.007 . . . . . . . 17 G HA2 . 51901 1
96 . 1 . 1 17 17 GLY HA3 H 1 3.596 0.002 . . . . . . . 17 G HA3 . 51901 1
97 . 1 . 1 18 18 GLU H H 1 8.634 0.003 . . . . . . . 18 E H . 51901 1
98 . 1 . 1 18 18 GLU HA H 1 4.093 0.004 . . . . . . . 18 E HA . 51901 1
99 . 1 . 1 18 18 GLU HB2 H 1 1.995 0.004 . . . . . . . 18 E HB2 . 51901 1
100 . 1 . 1 18 18 GLU HB3 H 1 1.931 0.006 . . . . . . . 18 E HB3 . 51901 1
101 . 1 . 1 18 18 GLU HG2 H 1 2.289 0.003 . . . . . . . 18 E HG . 51901 1
102 . 1 . 1 18 18 GLU HG3 H 1 2.289 0.003 . . . . . . . 18 E HG . 51901 1
103 . 1 . 1 19 19 ALA H H 1 8.596 0.003 . . . . . . . 19 A H . 51901 1
104 . 1 . 1 19 19 ALA HA H 1 4.461 0.004 . . . . . . . 19 A HA . 51901 1
105 . 1 . 1 19 19 ALA HB1 H 1 1.260 0.005 . . . . . . . 19 A HB . 51901 1
106 . 1 . 1 19 19 ALA HB2 H 1 1.260 0.005 . . . . . . . 19 A HB . 51901 1
107 . 1 . 1 19 19 ALA HB3 H 1 1.260 0.005 . . . . . . . 19 A HB . 51901 1
108 . 1 . 1 20 20 SER H H 1 7.258 0.006 . . . . . . . 20 S H . 51901 1
109 . 1 . 1 20 20 SER HA H 1 4.583 0.003 . . . . . . . 20 S HA . 51901 1
110 . 1 . 1 20 20 SER HB2 H 1 3.695 0.013 . . . . . . . 20 S HB2 . 51901 1
111 . 1 . 1 20 20 SER HB3 H 1 3.532 0.011 . . . . . . . 20 S HB3 . 51901 1
112 . 1 . 1 21 21 MET H H 1 8.426 0.005 . . . . . . . 21 M H . 51901 1
113 . 1 . 1 21 21 MET HA H 1 4.774 0.006 . . . . . . . 21 M HA . 51901 1
114 . 1 . 1 21 21 MET HB2 H 1 1.887 0.008 . . . . . . . 21 M HB2 . 51901 1
115 . 1 . 1 21 21 MET HB3 H 1 1.821 0.008 . . . . . . . 21 M HB3 . 51901 1
116 . 1 . 1 21 21 MET HG2 H 1 2.384 0.002 . . . . . . . 21 M HG . 51901 1
117 . 1 . 1 21 21 MET HG3 H 1 2.384 0.002 . . . . . . . 21 M HG . 51901 1
118 . 1 . 1 22 22 CYS H H 1 8.512 0.003 . . . . . . . 22 C H . 51901 1
119 . 1 . 1 22 22 CYS HA H 1 4.885 0.008 . . . . . . . 22 C HA . 51901 1
120 . 1 . 1 22 22 CYS HB2 H 1 2.626 0.005 . . . . . . . 22 C HB2 . 51901 1
121 . 1 . 1 22 22 CYS HB3 H 1 2.455 0.002 . . . . . . . 22 C HB3 . 51901 1
122 . 1 . 1 23 23 SER H H 1 8.613 0.005 . . . . . . . 23 S H . 51901 1
123 . 1 . 1 23 23 SER HA H 1 4.645 0.003 . . . . . . . 23 S HA . 51901 1
124 . 1 . 1 23 23 SER HB2 H 1 3.768 0.005 . . . . . . . 23 S HB2 . 51901 1
125 . 1 . 1 23 23 SER HB3 H 1 3.513 0.004 . . . . . . . 23 S HB3 . 51901 1
126 . 1 . 1 24 24 LYS H H 1 8.777 0.002 . . . . . . . 24 K H . 51901 1
127 . 1 . 1 24 24 LYS HA H 1 4.245 0.004 . . . . . . . 24 K HA . 51901 1
128 . 1 . 1 24 24 LYS HB2 H 1 1.777 0.008 . . . . . . . 24 K HB . 51901 1
129 . 1 . 1 24 24 LYS HB3 H 1 1.777 0.008 . . . . . . . 24 K HB . 51901 1
130 . 1 . 1 24 24 LYS HG2 H 1 1.427 0.005 . . . . . . . 24 K HG2 . 51901 1
131 . 1 . 1 24 24 LYS HG3 H 1 1.180 0.005 . . . . . . . 24 K HG3 . 51901 1
132 . 1 . 1 24 24 LYS HD2 H 1 1.648 0.005 . . . . . . . 24 K HD2 . 51901 1
133 . 1 . 1 24 24 LYS HD3 H 1 1.547 0.004 . . . . . . . 24 K HD3 . 51901 1
134 . 1 . 1 24 24 LYS HE2 H 1 2.951 0.003 . . . . . . . 24 K HE . 51901 1
135 . 1 . 1 24 24 LYS HE3 H 1 2.951 0.003 . . . . . . . 24 K HE . 51901 1
136 . 1 . 1 24 24 LYS HZ1 H 1 7.580 0.004 . . . . . . . 24 K HZ . 51901 1
137 . 1 . 1 24 24 LYS HZ2 H 1 7.580 0.004 . . . . . . . 24 K HZ . 51901 1
138 . 1 . 1 24 24 LYS HZ3 H 1 7.580 0.004 . . . . . . . 24 K HZ . 51901 1
139 . 1 . 1 25 25 GLY H H 1 8.562 0.008 . . . . . . . 25 G H . 51901 1
140 . 1 . 1 25 25 GLY HA2 H 1 4.433 0.005 . . . . . . . 25 G HA2 . 51901 1
141 . 1 . 1 25 25 GLY HA3 H 1 3.931 0.003 . . . . . . . 25 G HA3 . 51901 1
142 . 1 . 1 26 26 ALA H H 1 8.876 0.001 . . . . . . . 26 A H . 51901 1
143 . 1 . 1 26 26 ALA HA H 1 4.063 0.004 . . . . . . . 26 A HA . 51901 1
144 . 1 . 1 26 26 ALA HB1 H 1 1.385 0.007 . . . . . . . 26 A HB . 51901 1
145 . 1 . 1 26 26 ALA HB2 H 1 1.385 0.007 . . . . . . . 26 A HB . 51901 1
146 . 1 . 1 26 26 ALA HB3 H 1 1.385 0.007 . . . . . . . 26 A HB . 51901 1
147 . 1 . 1 27 27 ASP H H 1 8.164 0.003 . . . . . . . 27 D H . 51901 1
148 . 1 . 1 27 27 ASP HA H 1 4.444 0.001 . . . . . . . 27 D HA . 51901 1
149 . 1 . 1 27 27 ASP HB2 H 1 2.944 0.002 . . . . . . . 27 D HB2 . 51901 1
150 . 1 . 1 27 27 ASP HB3 H 1 2.624 0.002 . . . . . . . 27 D HB3 . 51901 1
151 . 1 . 1 28 28 GLY H H 1 8.095 0.005 . . . . . . . 28 G H . 51901 1
152 . 1 . 1 28 28 GLY HA2 H 1 4.217 0.005 . . . . . . . 28 G HA2 . 51901 1
153 . 1 . 1 28 28 GLY HA3 H 1 3.465 0.003 . . . . . . . 28 G HA3 . 51901 1
154 . 1 . 1 29 29 LYS H H 1 7.844 0.003 . . . . . . . 29 K H . 51901 1
155 . 1 . 1 29 29 LYS HA H 1 4.366 0.004 . . . . . . . 29 K HA . 51901 1
156 . 1 . 1 29 29 LYS HB2 H 1 1.815 0.007 . . . . . . . 29 K HB . 51901 1
157 . 1 . 1 29 29 LYS HB3 H 1 1.815 0.007 . . . . . . . 29 K HB . 51901 1
158 . 1 . 1 29 29 LYS HG2 H 1 1.235 0.008 . . . . . . . 29 K HG . 51901 1
159 . 1 . 1 29 29 LYS HG3 H 1 1.235 0.008 . . . . . . . 29 K HG . 51901 1
160 . 1 . 1 29 29 LYS HD2 H 1 1.583 0.008 . . . . . . . 29 K HD . 51901 1
161 . 1 . 1 29 29 LYS HD3 H 1 1.583 0.008 . . . . . . . 29 K HD . 51901 1
162 . 1 . 1 29 29 LYS HE2 H 1 2.897 0.009 . . . . . . . 29 K HE . 51901 1
163 . 1 . 1 29 29 LYS HE3 H 1 2.897 0.009 . . . . . . . 29 K HE . 51901 1
164 . 1 . 1 29 29 LYS HZ1 H 1 7.511 0.003 . . . . . . . 29 K HZ . 51901 1
165 . 1 . 1 29 29 LYS HZ2 H 1 7.511 0.003 . . . . . . . 29 K HZ . 51901 1
166 . 1 . 1 29 29 LYS HZ3 H 1 7.511 0.003 . . . . . . . 29 K HZ . 51901 1
167 . 1 . 1 30 30 LYS H H 1 8.479 0.003 . . . . . . . 30 K H . 51901 1
168 . 1 . 1 30 30 LYS HA H 1 4.932 0.005 . . . . . . . 30 K HA . 51901 1
169 . 1 . 1 30 30 LYS HB2 H 1 1.831 0.004 . . . . . . . 30 K HB2 . 51901 1
170 . 1 . 1 30 30 LYS HB3 H 1 1.718 0.004 . . . . . . . 30 K HB3 . 51901 1
171 . 1 . 1 30 30 LYS HG2 H 1 1.488 0.005 . . . . . . . 30 K HG2 . 51901 1
172 . 1 . 1 30 30 LYS HG3 H 1 0.906 0.006 . . . . . . . 30 K HG3 . 51901 1
173 . 1 . 1 30 30 LYS HD2 H 1 1.596 0.007 . . . . . . . 30 K HD . 51901 1
174 . 1 . 1 30 30 LYS HD3 H 1 1.596 0.007 . . . . . . . 30 K HD . 51901 1
175 . 1 . 1 30 30 LYS HE2 H 1 2.875 0.003 . . . . . . . 30 K HE . 51901 1
176 . 1 . 1 30 30 LYS HE3 H 1 2.875 0.003 . . . . . . . 30 K HE . 51901 1
177 . 1 . 1 30 30 LYS HZ1 H 1 7.529 0.001 . . . . . . . 30 K HZ . 51901 1
178 . 1 . 1 30 30 LYS HZ2 H 1 7.529 0.001 . . . . . . . 30 K HZ . 51901 1
179 . 1 . 1 30 30 LYS HZ3 H 1 7.529 0.001 . . . . . . . 30 K HZ . 51901 1
180 . 1 . 1 31 31 THR H H 1 8.399 0.005 . . . . . . . 31 T H . 51901 1
181 . 1 . 1 31 31 THR HA H 1 5.174 0.009 . . . . . . . 31 T HA . 51901 1
182 . 1 . 1 31 31 THR HB H 1 3.629 0.009 . . . . . . . 31 T HB . 51901 1
183 . 1 . 1 31 31 THR HG21 H 1 0.845 0.007 . . . . . . . 31 T HG2 . 51901 1
184 . 1 . 1 31 31 THR HG22 H 1 0.845 0.007 . . . . . . . 31 T HG2 . 51901 1
185 . 1 . 1 31 31 THR HG23 H 1 0.845 0.007 . . . . . . . 31 T HG2 . 51901 1
186 . 1 . 1 32 32 CYS H H 1 8.602 0.003 . . . . . . . 32 C H . 51901 1
187 . 1 . 1 32 32 CYS HA H 1 4.794 0.003 . . . . . . . 32 C HA . 51901 1
188 . 1 . 1 32 32 CYS HB2 H 1 3.252 0.007 . . . . . . . 32 C HB2 . 51901 1
189 . 1 . 1 32 32 CYS HB3 H 1 2.564 0.004 . . . . . . . 32 C HB3 . 51901 1
190 . 1 . 1 33 33 MET H H 1 9.398 0.004 . . . . . . . 33 M H . 51901 1
191 . 1 . 1 33 33 MET HA H 1 4.887 0.008 . . . . . . . 33 M HA . 51901 1
192 . 1 . 1 33 33 MET HB2 H 1 2.629 0.003 . . . . . . . 33 M HB2 . 51901 1
193 . 1 . 1 33 33 MET HB3 H 1 2.021 0.003 . . . . . . . 33 M HB3 . 51901 1
194 . 1 . 1 33 33 MET HG2 H 1 2.460 0.005 . . . . . . . 33 M HG . 51901 1
195 . 1 . 1 33 33 MET HG3 H 1 2.460 0.005 . . . . . . . 33 M HG . 51901 1
196 . 1 . 1 34 34 ILE H H 1 8.629 0.002 . . . . . . . 34 I H . 51901 1
197 . 1 . 1 34 34 ILE HA H 1 4.266 0.006 . . . . . . . 34 I HA . 51901 1
198 . 1 . 1 34 34 ILE HB H 1 1.953 0.004 . . . . . . . 34 I HB . 51901 1
199 . 1 . 1 34 34 ILE HG12 H 1 1.364 0.008 . . . . . . . 34 I HG12 . 51901 1
200 . 1 . 1 34 34 ILE HG13 H 1 1.293 0.013 . . . . . . . 34 I HG13 . 51901 1
201 . 1 . 1 34 34 ILE HG21 H 1 0.839 0.006 . . . . . . . 34 I HG2 . 51901 1
202 . 1 . 1 34 34 ILE HG22 H 1 0.839 0.006 . . . . . . . 34 I HG2 . 51901 1
203 . 1 . 1 34 34 ILE HG23 H 1 0.839 0.006 . . . . . . . 34 I HG2 . 51901 1
204 . 1 . 1 34 34 ILE HD11 H 1 0.829 0.003 . . . . . . . 34 I HD1 . 51901 1
205 . 1 . 1 34 34 ILE HD12 H 1 0.829 0.003 . . . . . . . 34 I HD1 . 51901 1
206 . 1 . 1 34 34 ILE HD13 H 1 0.829 0.003 . . . . . . . 34 I HD1 . 51901 1
207 . 1 . 1 35 35 ASP H H 1 8.452 0.003 . . . . . . . 35 D H . 51901 1
208 . 1 . 1 35 35 ASP HA H 1 4.443 0.002 . . . . . . . 35 D HA . 51901 1
209 . 1 . 1 35 35 ASP HB2 H 1 2.651 0.005 . . . . . . . 35 D HB2 . 51901 1
210 . 1 . 1 35 35 ASP HB3 H 1 2.509 0.008 . . . . . . . 35 D HB3 . 51901 1
211 . 1 . 1 36 36 LYS H H 1 8.243 0.002 . . . . . . . 36 K H . 51901 1
212 . 1 . 1 36 36 LYS HA H 1 4.166 0.004 . . . . . . . 36 K HA . 51901 1
213 . 1 . 1 36 36 LYS HB2 H 1 1.701 0.005 . . . . . . . 36 K HB . 51901 1
214 . 1 . 1 36 36 LYS HB3 H 1 1.701 0.005 . . . . . . . 36 K HB . 51901 1
215 . 1 . 1 36 36 LYS HG2 H 1 1.275 0.010 . . . . . . . 36 K HG . 51901 1
216 . 1 . 1 36 36 LYS HG3 H 1 1.275 0.010 . . . . . . . 36 K HG . 51901 1
217 . 1 . 1 36 36 LYS HD2 H 1 1.608 0.011 . . . . . . . 36 K HD . 51901 1
218 . 1 . 1 36 36 LYS HD3 H 1 1.608 0.011 . . . . . . . 36 K HD . 51901 1
219 . 1 . 1 36 36 LYS HE2 H 1 2.840 0.007 . . . . . . . 36 K HE . 51901 1
220 . 1 . 1 36 36 LYS HE3 H 1 2.840 0.007 . . . . . . . 36 K HE . 51901 1
221 . 1 . 1 36 36 LYS HZ1 H 1 7.491 0.026 . . . . . . . 36 K HZ . 51901 1
222 . 1 . 1 36 36 LYS HZ2 H 1 7.491 0.026 . . . . . . . 36 K HZ . 51901 1
223 . 1 . 1 36 36 LYS HZ3 H 1 7.491 0.026 . . . . . . . 36 K HZ . 51901 1
224 . 1 . 1 37 37 LEU H H 1 8.223 0.003 . . . . . . . 37 L H . 51901 1
225 . 1 . 1 37 37 LEU HA H 1 4.160 0.004 . . . . . . . 37 L HA . 51901 1
226 . 1 . 1 37 37 LEU HB2 H 1 1.455 0.003 . . . . . . . 37 L HB . 51901 1
227 . 1 . 1 37 37 LEU HB3 H 1 1.455 0.003 . . . . . . . 37 L HB . 51901 1
228 . 1 . 1 37 37 LEU HG H 1 1.324 0.006 . . . . . . . 37 L HG . 51901 1
229 . 1 . 1 37 37 LEU HD11 H 1 0.796 0.005 . . . . . . . 37 L HD1 . 51901 1
230 . 1 . 1 37 37 LEU HD12 H 1 0.796 0.005 . . . . . . . 37 L HD1 . 51901 1
231 . 1 . 1 37 37 LEU HD13 H 1 0.796 0.005 . . . . . . . 37 L HD1 . 51901 1
232 . 1 . 1 37 37 LEU HD21 H 1 0.713 0.006 . . . . . . . 37 L HD2 . 51901 1
233 . 1 . 1 37 37 LEU HD22 H 1 0.713 0.006 . . . . . . . 37 L HD2 . 51901 1
234 . 1 . 1 37 37 LEU HD23 H 1 0.713 0.006 . . . . . . . 37 L HD2 . 51901 1
235 . 1 . 1 38 38 TRP H H 1 7.917 0.003 . . . . . . . 38 W H . 51901 1
236 . 1 . 1 38 38 TRP HA H 1 4.613 0.005 . . . . . . . 38 W HA . 51901 1
237 . 1 . 1 38 38 TRP HB2 H 1 3.323 0.006 . . . . . . . 38 W HB2 . 51901 1
238 . 1 . 1 38 38 TRP HB3 H 1 3.153 0.005 . . . . . . . 38 W HB3 . 51901 1
239 . 1 . 1 38 38 TRP HD1 H 1 7.187 0.002 . . . . . . . 38 W HD1 . 51901 1
240 . 1 . 1 38 38 TRP HE1 H 1 10.112 0.001 . . . . . . . 38 W HE1 . 51901 1
241 . 1 . 1 38 38 TRP HE3 H 1 7.598 0.005 . . . . . . . 38 W HE3 . 51901 1
242 . 1 . 1 38 38 TRP HZ2 H 1 7.423 0.003 . . . . . . . 38 W HZ2 . 51901 1
243 . 1 . 1 38 38 TRP HZ3 H 1 7.081 0.074 . . . . . . . 38 W HZ3 . 51901 1
244 . 1 . 1 38 38 TRP HH2 H 1 7.172 0.005 . . . . . . . 38 W HH2 . 51901 1
245 . 1 . 1 39 39 GLY H H 1 7.671 0.003 . . . . . . . 39 G H . 51901 1
246 . 1 . 1 39 39 GLY HA2 H 1 3.675 0.003 . . . . . . . 39 G HA2 . 51901 1
247 . 1 . 1 39 39 GLY HA3 H 1 3.530 0.004 . . . . . . . 39 G HA3 . 51901 1
stop_
save_