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 25653
_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
1 '2D 1H-1H TOCSY' . . . 25653 1
2 '2D DQF-COSY' . . . 25653 1
3 '2D 1H-1H NOESY' . . . 25653 1
4 '2D 1H-13C HSQC' . . . 25653 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 PCA CA C 13 57.679 0.001 . . . . . A 1 PCA CA . 25653 1
2 . 1 1 1 1 PCA CB C 13 27.721 0.003 . . . . . A 1 PCA CB . 25653 1
3 . 1 1 1 1 PCA CG C 13 32.176 0.001 . . . . . A 1 PCA CG . 25653 1
4 . 1 1 1 1 PCA HA H 1 3.934 0.001 . . . . . A 1 PCA HA . 25653 1
5 . 1 1 1 1 PCA HB2 H 1 2.181 0.000 . . . . . A 1 PCA HB2 . 25653 1
6 . 1 1 1 1 PCA HB3 H 1 1.727 0.000 . . . . . A 1 PCA HB3 . 25653 1
7 . 1 1 1 1 PCA HG2 H 1 2.008 0.001 . . . . . A 1 PCA HG2 . 25653 1
8 . 1 1 1 1 PCA HG3 H 1 2.010 0.000 . . . . . A 1 PCA HG3 . 25653 1
9 . 1 1 2 2 TRP H H 1 8.076 0.001 . 1 . . . A 2 TRP H . 25653 1
10 . 1 1 2 2 TRP HA H 1 4.604 0.000 . 1 . . . A 2 TRP HA . 25653 1
11 . 1 1 2 2 TRP HB2 H 1 2.901 0.001 . 2 . . . A 2 TRP HB2 . 25653 1
12 . 1 1 2 2 TRP HB3 H 1 3.001 0.001 . 2 . . . A 2 TRP HB3 . 25653 1
13 . 1 1 2 2 TRP HD1 H 1 7.075 0.001 . 1 . . . A 2 TRP HD1 . 25653 1
14 . 1 1 2 2 TRP HE1 H 1 10.698 0.001 . 1 . . . A 2 TRP HE1 . 25653 1
15 . 1 1 2 2 TRP HE3 H 1 7.605 0.001 . 1 . . . A 2 TRP HE3 . 25653 1
16 . 1 1 2 2 TRP HZ2 H 1 7.323 0.002 . 1 . . . A 2 TRP HZ2 . 25653 1
17 . 1 1 2 2 TRP HZ3 H 1 6.984 0.000 . 1 . . . A 2 TRP HZ3 . 25653 1
18 . 1 1 2 2 TRP HH2 H 1 7.060 0.003 . 1 . . . A 2 TRP HH2 . 25653 1
19 . 1 1 2 2 TRP CA C 13 53.837 0.000 . 1 . . . A 2 TRP CA . 25653 1
20 . 1 1 2 2 TRP CB C 13 29.261 0.000 . 1 . . . A 2 TRP CB . 25653 1
21 . 1 1 2 2 TRP CD1 C 13 125.946 0.000 . 1 . . . A 2 TRP CD1 . 25653 1
22 . 1 1 2 2 TRP CE3 C 13 120.836 0.000 . 1 . . . A 2 TRP CE3 . 25653 1
23 . 1 1 2 2 TRP CZ2 C 13 113.476 0.000 . 1 . . . A 2 TRP CZ2 . 25653 1
24 . 1 1 2 2 TRP CZ3 C 13 120.538 0.000 . 1 . . . A 2 TRP CZ3 . 25653 1
25 . 1 1 2 2 TRP CH2 C 13 123.091 0.000 . 1 . . . A 2 TRP CH2 . 25653 1
26 . 1 1 3 3 CYS H H 1 7.762 0.001 . 1 . . . A 3 CYS H . 25653 1
27 . 1 1 3 3 CYS HA H 1 4.989 0.001 . 1 . . . A 3 CYS HA . 25653 1
28 . 1 1 3 3 CYS HB2 H 1 3.099 0.001 . 2 . . . A 3 CYS HB2 . 25653 1
29 . 1 1 3 3 CYS HB3 H 1 2.830 0.001 . 2 . . . A 3 CYS HB3 . 25653 1
30 . 1 1 3 3 CYS CA C 13 52.524 0.000 . 1 . . . A 3 CYS CA . 25653 1
31 . 1 1 3 3 CYS CB C 13 43.609 0.000 . 1 . . . A 3 CYS CB . 25653 1
32 . 1 1 4 4 ALA H H 1 9.027 0.001 . 1 . . . A 4 ALA H . 25653 1
33 . 1 1 4 4 ALA HA H 1 4.326 0.000 . 1 . . . A 4 ALA HA . 25653 1
34 . 1 1 4 4 ALA HB1 H 1 1.215 0.000 . 1 . . . A 4 ALA HB1 . 25653 1
35 . 1 1 4 4 ALA HB2 H 1 1.215 0.000 . 1 . . . A 4 ALA HB2 . 25653 1
36 . 1 1 4 4 ALA HB3 H 1 1.215 0.000 . 1 . . . A 4 ALA HB3 . 25653 1
37 . 1 1 4 4 ALA CA C 13 50.194 0.000 . 1 . . . A 4 ALA CA . 25653 1
38 . 1 1 4 4 ALA CB C 13 20.591 0.000 . 1 . . . A 4 ALA CB . 25653 1
39 . 1 1 5 5 GLU H H 1 7.583 0.001 . 1 . . . A 5 GLU H . 25653 1
40 . 1 1 5 5 GLU HA H 1 4.026 0.001 . 1 . . . A 5 GLU HA . 25653 1
41 . 1 1 5 5 GLU HB2 H 1 1.604 0.001 . 2 . . . A 5 GLU HB2 . 25653 1
42 . 1 1 5 5 GLU HB3 H 1 2.195 0.001 . 2 . . . A 5 GLU HB3 . 25653 1
43 . 1 1 5 5 GLU HG2 H 1 2.115 0.001 . 2 . . . A 5 GLU HG2 . 25653 1
44 . 1 1 5 5 GLU HG3 H 1 2.390 0.001 . 2 . . . A 5 GLU HG3 . 25653 1
45 . 1 1 5 5 GLU CA C 13 53.176 0.000 . 1 . . . A 5 GLU CA . 25653 1
46 . 1 1 5 5 GLU CB C 13 29.310 0.001 . 1 . . . A 5 GLU CB . 25653 1
47 . 1 1 5 5 GLU CG C 13 33.185 0.000 . 1 . . . A 5 GLU CG . 25653 1
48 . 1 1 6 6 GLU H H 1 8.031 0.001 . 1 . . . A 6 GLU H . 25653 1
49 . 1 1 6 6 GLU HA H 1 3.540 0.001 . 1 . . . A 6 GLU HA . 25653 1
50 . 1 1 6 6 GLU HB2 H 1 1.860 0.001 . 2 . . . A 6 GLU HB2 . 25653 1
51 . 1 1 6 6 GLU HB3 H 1 1.859 0.000 . 2 . . . A 6 GLU HB3 . 25653 1
52 . 1 1 6 6 GLU HG2 H 1 2.244 0.001 . 2 . . . A 6 GLU HG2 . 25653 1
53 . 1 1 6 6 GLU HG3 H 1 2.329 0.001 . 2 . . . A 6 GLU HG3 . 25653 1
54 . 1 1 6 6 GLU CA C 13 56.986 0.000 . 1 . . . A 6 GLU CA . 25653 1
55 . 1 1 6 6 GLU CB C 13 28.177 0.000 . 1 . . . A 6 GLU CB . 25653 1
56 . 1 1 6 6 GLU CG C 13 32.469 0.003 . 1 . . . A 6 GLU CG . 25653 1
57 . 1 1 7 7 GLY H H 1 8.854 0.000 . 1 . . . A 7 GLY H . 25653 1
58 . 1 1 7 7 GLY HA2 H 1 3.246 0.001 . 2 . . . A 7 GLY HA2 . 25653 1
59 . 1 1 7 7 GLY HA3 H 1 4.085 0.000 . 2 . . . A 7 GLY HA3 . 25653 1
60 . 1 1 7 7 GLY CA C 13 44.986 0.000 . 1 . . . A 7 GLY CA . 25653 1
61 . 1 1 8 8 GLU H H 1 7.819 0.001 . 1 . . . A 8 GLU H . 25653 1
62 . 1 1 8 8 GLU HA H 1 4.465 0.001 . 1 . . . A 8 GLU HA . 25653 1
63 . 1 1 8 8 GLU HB2 H 1 2.053 0.000 . 2 . . . A 8 GLU HB2 . 25653 1
64 . 1 1 8 8 GLU HB3 H 1 2.118 0.000 . 2 . . . A 8 GLU HB3 . 25653 1
65 . 1 1 8 8 GLU HG2 H 1 2.290 0.000 . 2 . . . A 8 GLU HG2 . 25653 1
66 . 1 1 8 8 GLU HG3 H 1 2.290 0.001 . 2 . . . A 8 GLU HG3 . 25653 1
67 . 1 1 8 8 GLU CA C 13 52.956 0.000 . 1 . . . A 8 GLU CA . 25653 1
68 . 1 1 8 8 GLU CB C 13 29.773 0.001 . 1 . . . A 8 GLU CB . 25653 1
69 . 1 1 8 8 GLU CG C 13 33.347 0.000 . 1 . . . A 8 GLU CG . 25653 1
70 . 1 1 9 9 SER H H 1 8.284 0.000 . 1 . . . A 9 SER H . 25653 1
71 . 1 1 9 9 SER HA H 1 5.080 0.000 . 1 . . . A 9 SER HA . 25653 1
72 . 1 1 9 9 SER HB2 H 1 3.701 0.001 . 2 . . . A 9 SER HB2 . 25653 1
73 . 1 1 9 9 SER HB3 H 1 3.807 0.000 . 2 . . . A 9 SER HB3 . 25653 1
74 . 1 1 9 9 SER CA C 13 56.778 0.000 . 1 . . . A 9 SER CA . 25653 1
75 . 1 1 9 9 SER CB C 13 64.205 0.000 . 1 . . . A 9 SER CB . 25653 1
76 . 1 1 10 10 CYS H H 1 7.377 0.000 . 1 . . . A 10 CYS H . 25653 1
77 . 1 1 10 10 CYS HA H 1 5.468 0.001 . 1 . . . A 10 CYS HA . 25653 1
78 . 1 1 10 10 CYS HB2 H 1 3.482 0.000 . 2 . . . A 10 CYS HB2 . 25653 1
79 . 1 1 10 10 CYS HB3 H 1 3.302 0.000 . 2 . . . A 10 CYS HB3 . 25653 1
80 . 1 1 10 10 CYS CA C 13 53.695 0.000 . 1 . . . A 10 CYS CA . 25653 1
81 . 1 1 10 10 CYS CB C 13 45.676 0.000 . 1 . . . A 10 CYS CB . 25653 1
82 . 1 1 11 11 GLU H H 1 7.544 0.001 . 1 . . . A 11 GLU H . 25653 1
83 . 1 1 11 11 GLU HA H 1 3.903 0.000 . 1 . . . A 11 GLU HA . 25653 1
84 . 1 1 11 11 GLU HB2 H 1 1.779 0.001 . 2 . . . A 11 GLU HB2 . 25653 1
85 . 1 1 11 11 GLU HB3 H 1 1.928 0.001 . 2 . . . A 11 GLU HB3 . 25653 1
86 . 1 1 11 11 GLU HG2 H 1 2.294 0.001 . 2 . . . A 11 GLU HG2 . 25653 1
87 . 1 1 11 11 GLU HG3 H 1 2.293 0.000 . 2 . . . A 11 GLU HG3 . 25653 1
88 . 1 1 11 11 GLU CA C 13 57.575 0.000 . 1 . . . A 11 GLU CA . 25653 1
89 . 1 1 11 11 GLU CB C 13 28.668 0.000 . 1 . . . A 11 GLU CB . 25653 1
90 . 1 1 11 11 GLU CG C 13 32.274 0.000 . 1 . . . A 11 GLU CG . 25653 1
91 . 1 1 12 12 VAL H H 1 7.536 0.001 . 1 . . . A 12 VAL H . 25653 1
92 . 1 1 12 12 VAL HA H 1 3.893 0.001 . 1 . . . A 12 VAL HA . 25653 1
93 . 1 1 12 12 VAL HB H 1 1.867 0.001 . 1 . . . A 12 VAL HB . 25653 1
94 . 1 1 12 12 VAL HG11 H 1 0.690 0.001 . 2 . . . A 12 VAL HG11 . 25653 1
95 . 1 1 12 12 VAL HG12 H 1 0.690 0.001 . 2 . . . A 12 VAL HG12 . 25653 1
96 . 1 1 12 12 VAL HG13 H 1 0.690 0.001 . 2 . . . A 12 VAL HG13 . 25653 1
97 . 1 1 12 12 VAL HG21 H 1 0.569 0.000 . 2 . . . A 12 VAL HG21 . 25653 1
98 . 1 1 12 12 VAL HG22 H 1 0.569 0.000 . 2 . . . A 12 VAL HG22 . 25653 1
99 . 1 1 12 12 VAL HG23 H 1 0.569 0.000 . 2 . . . A 12 VAL HG23 . 25653 1
100 . 1 1 12 12 VAL CA C 13 61.433 0.000 . 1 . . . A 12 VAL CA . 25653 1
101 . 1 1 12 12 VAL CB C 13 32.771 0.000 . 1 . . . A 12 VAL CB . 25653 1
102 . 1 1 12 12 VAL CG1 C 13 20.839 0.000 . 2 . . . A 12 VAL CG1 . 25653 1
103 . 1 1 12 12 VAL CG2 C 13 21.577 0.000 . 2 . . . A 12 VAL CG2 . 25653 1
104 . 1 1 13 13 TYR H H 1 7.213 0.001 . 1 . . . A 13 TYR H . 25653 1
105 . 1 1 13 13 TYR HA H 1 4.603 0.001 . 1 . . . A 13 TYR HA . 25653 1
106 . 1 1 13 13 TYR HB2 H 1 2.515 0.001 . 2 . . . A 13 TYR HB2 . 25653 1
107 . 1 1 13 13 TYR HB3 H 1 2.850 0.000 . 2 . . . A 13 TYR HB3 . 25653 1
108 . 1 1 13 13 TYR HD1 H 1 7.021 0.001 . 3 . . . A 13 TYR HD1 . 25653 1
109 . 1 1 13 13 TYR HD2 H 1 7.022 0.000 . 3 . . . A 13 TYR HD2 . 25653 1
110 . 1 1 13 13 TYR HE1 H 1 6.594 0.000 . 3 . . . A 13 TYR HE1 . 25653 1
111 . 1 1 13 13 TYR HE2 H 1 6.594 0.000 . 3 . . . A 13 TYR HE2 . 25653 1
112 . 1 1 13 13 TYR CA C 13 55.557 0.000 . 1 . . . A 13 TYR CA . 25653 1
113 . 1 1 13 13 TYR CB C 13 38.917 0.002 . 1 . . . A 13 TYR CB . 25653 1
114 . 1 1 13 13 TYR CD1 C 13 132.139 0.000 . 3 . . . A 13 TYR CD1 . 25653 1
115 . 1 1 13 13 TYR CD2 C 13 132.139 0.000 . 3 . . . A 13 TYR CD2 . 25653 1
116 . 1 1 13 13 TYR CE1 C 13 117.181 0.000 . 3 . . . A 13 TYR CE1 . 25653 1
117 . 1 1 13 13 TYR CE2 C 13 117.176 0.000 . 3 . . . A 13 TYR CE2 . 25653 1
118 . 1 1 14 14 PRO HA H 1 4.541 0.001 . 1 . . . A 14 PRO HA . 25653 1
119 . 1 1 14 14 PRO HB2 H 1 2.146 0.001 . 2 . . . A 14 PRO HB2 . 25653 1
120 . 1 1 14 14 PRO HB3 H 1 2.143 0.003 . 2 . . . A 14 PRO HB3 . 25653 1
121 . 1 1 14 14 PRO HG2 H 1 1.992 0.000 . 2 . . . A 14 PRO HG2 . 25653 1
122 . 1 1 14 14 PRO HG3 H 1 1.992 0.000 . 2 . . . A 14 PRO HG3 . 25653 1
123 . 1 1 14 14 PRO HD2 H 1 3.624 0.001 . 2 . . . A 14 PRO HD2 . 25653 1
124 . 1 1 14 14 PRO HD3 H 1 3.892 0.000 . 2 . . . A 14 PRO HD3 . 25653 1
125 . 1 1 14 14 PRO CA C 13 60.415 0.000 . 1 . . . A 14 PRO CA . 25653 1
126 . 1 1 14 14 PRO CB C 13 31.595 0.000 . 1 . . . A 14 PRO CB . 25653 1
127 . 1 1 14 14 PRO CG C 13 26.312 0.000 . 1 . . . A 14 PRO CG . 25653 1
128 . 1 1 14 14 PRO CD C 13 48.807 0.001 . 1 . . . A 14 PRO CD . 25653 1
129 . 1 1 15 15 CYS H H 1 8.986 0.000 . 1 . . . A 15 CYS H . 25653 1
130 . 1 1 15 15 CYS HA H 1 4.925 0.001 . 1 . . . A 15 CYS HA . 25653 1
131 . 1 1 15 15 CYS HB2 H 1 2.938 0.001 . 2 . . . A 15 CYS HB2 . 25653 1
132 . 1 1 15 15 CYS HB3 H 1 2.377 0.001 . 2 . . . A 15 CYS HB3 . 25653 1
133 . 1 1 15 15 CYS CA C 13 54.229 0.000 . 1 . . . A 15 CYS CA . 25653 1
134 . 1 1 15 15 CYS CB C 13 39.173 0.000 . 1 . . . A 15 CYS CB . 25653 1
135 . 1 1 16 16 CYS H H 1 9.018 0.000 . 1 . . . A 16 CYS H . 25653 1
136 . 1 1 16 16 CYS HA H 1 4.423 0.000 . 1 . . . A 16 CYS HA . 25653 1
137 . 1 1 16 16 CYS HB2 H 1 3.096 0.001 . 2 . . . A 16 CYS HB2 . 25653 1
138 . 1 1 16 16 CYS HB3 H 1 2.254 0.001 . 2 . . . A 16 CYS HB3 . 25653 1
139 . 1 1 16 16 CYS CA C 13 52.994 0.000 . 1 . . . A 16 CYS CA . 25653 1
140 . 1 1 16 16 CYS CB C 13 40.662 0.001 . 1 . . . A 16 CYS CB . 25653 1
141 . 1 1 17 17 ASP H H 1 9.414 0.001 . 1 . . . A 17 ASP H . 25653 1
142 . 1 1 17 17 ASP HA H 1 4.218 0.001 . 1 . . . A 17 ASP HA . 25653 1
143 . 1 1 17 17 ASP HB2 H 1 2.362 0.001 . 2 . . . A 17 ASP HB2 . 25653 1
144 . 1 1 17 17 ASP HB3 H 1 3.039 0.000 . 2 . . . A 17 ASP HB3 . 25653 1
145 . 1 1 17 17 ASP CA C 13 51.378 0.000 . 1 . . . A 17 ASP CA . 25653 1
146 . 1 1 17 17 ASP CB C 13 37.397 0.000 . 1 . . . A 17 ASP CB . 25653 1
147 . 1 1 18 18 GLY HA2 H 1 3.791 0.000 . 2 . . . A 18 GLY HA2 . 25653 1
148 . 1 1 18 18 GLY HA3 H 1 4.089 0.000 . 2 . . . A 18 GLY HA3 . 25653 1
149 . 1 1 18 18 GLY CA C 13 43.836 0.000 . 1 . . . A 18 GLY CA . 25653 1
150 . 1 1 19 19 LEU H H 1 6.878 0.001 . 1 . . . A 19 LEU H . 25653 1
151 . 1 1 19 19 LEU HA H 1 4.130 0.001 . 1 . . . A 19 LEU HA . 25653 1
152 . 1 1 19 19 LEU HB2 H 1 1.387 0.001 . 2 . . . A 19 LEU HB2 . 25653 1
153 . 1 1 19 19 LEU HB3 H 1 1.856 0.001 . 2 . . . A 19 LEU HB3 . 25653 1
154 . 1 1 19 19 LEU HG H 1 1.525 0.000 . 1 . . . A 19 LEU HG . 25653 1
155 . 1 1 19 19 LEU HD11 H 1 0.838 0.001 . 2 . . . A 19 LEU HD11 . 25653 1
156 . 1 1 19 19 LEU HD12 H 1 0.838 0.001 . 2 . . . A 19 LEU HD12 . 25653 1
157 . 1 1 19 19 LEU HD13 H 1 0.838 0.001 . 2 . . . A 19 LEU HD13 . 25653 1
158 . 1 1 19 19 LEU HD21 H 1 0.653 0.001 . 2 . . . A 19 LEU HD21 . 25653 1
159 . 1 1 19 19 LEU HD22 H 1 0.653 0.001 . 2 . . . A 19 LEU HD22 . 25653 1
160 . 1 1 19 19 LEU HD23 H 1 0.653 0.001 . 2 . . . A 19 LEU HD23 . 25653 1
161 . 1 1 19 19 LEU CA C 13 53.875 0.000 . 1 . . . A 19 LEU CA . 25653 1
162 . 1 1 19 19 LEU CB C 13 41.530 0.000 . 1 . . . A 19 LEU CB . 25653 1
163 . 1 1 19 19 LEU CG C 13 26.584 0.000 . 1 . . . A 19 LEU CG . 25653 1
164 . 1 1 19 19 LEU CD1 C 13 25.648 0.000 . 2 . . . A 19 LEU CD1 . 25653 1
165 . 1 1 19 19 LEU CD2 C 13 22.505 0.000 . 2 . . . A 19 LEU CD2 . 25653 1
166 . 1 1 20 20 ILE H H 1 8.102 0.001 . 1 . . . A 20 ILE H . 25653 1
167 . 1 1 20 20 ILE HA H 1 4.015 0.001 . 1 . . . A 20 ILE HA . 25653 1
168 . 1 1 20 20 ILE HB H 1 1.415 0.001 . 1 . . . A 20 ILE HB . 25653 1
169 . 1 1 20 20 ILE HG12 H 1 0.908 0.001 . 2 . . . A 20 ILE HG12 . 25653 1
170 . 1 1 20 20 ILE HG13 H 1 0.906 0.000 . 2 . . . A 20 ILE HG13 . 25653 1
171 . 1 1 20 20 ILE HG21 H 1 0.239 0.001 . 1 . . . A 20 ILE HG21 . 25653 1
172 . 1 1 20 20 ILE HG22 H 1 0.239 0.001 . 1 . . . A 20 ILE HG22 . 25653 1
173 . 1 1 20 20 ILE HG23 H 1 0.239 0.001 . 1 . . . A 20 ILE HG23 . 25653 1
174 . 1 1 20 20 ILE HD11 H 1 0.741 0.001 . 1 . . . A 20 ILE HD11 . 25653 1
175 . 1 1 20 20 ILE HD12 H 1 0.741 0.001 . 1 . . . A 20 ILE HD12 . 25653 1
176 . 1 1 20 20 ILE HD13 H 1 0.741 0.001 . 1 . . . A 20 ILE HD13 . 25653 1
177 . 1 1 20 20 ILE CA C 13 57.950 0.000 . 1 . . . A 20 ILE CA . 25653 1
178 . 1 1 20 20 ILE CB C 13 40.182 0.000 . 1 . . . A 20 ILE CB . 25653 1
179 . 1 1 20 20 ILE CG1 C 13 27.125 0.000 . 1 . . . A 20 ILE CG1 . 25653 1
180 . 1 1 20 20 ILE CG2 C 13 16.666 0.000 . 1 . . . A 20 ILE CG2 . 25653 1
181 . 1 1 20 20 ILE CD1 C 13 17.439 0.000 . 1 . . . A 20 ILE CD1 . 25653 1
182 . 1 1 21 21 CYS H H 1 8.516 0.001 . 1 . . . A 21 CYS H . 25653 1
183 . 1 1 21 21 CYS HA H 1 4.735 0.000 . 1 . . . A 21 CYS HA . 25653 1
184 . 1 1 21 21 CYS HB2 H 1 3.242 0.000 . 2 . . . A 21 CYS HB2 . 25653 1
185 . 1 1 21 21 CYS HB3 H 1 2.763 0.000 . 2 . . . A 21 CYS HB3 . 25653 1
186 . 1 1 21 21 CYS CA C 13 53.258 0.000 . 1 . . . A 21 CYS CA . 25653 1
187 . 1 1 21 21 CYS CB C 13 38.612 0.001 . 1 . . . A 21 CYS CB . 25653 1
188 . 1 1 22 22 TYR H H 1 8.859 0.001 . 1 . . . A 22 TYR H . 25653 1
189 . 1 1 22 22 TYR HA H 1 4.404 0.002 . 1 . . . A 22 TYR HA . 25653 1
190 . 1 1 22 22 TYR HB2 H 1 2.750 0.001 . 2 . . . A 22 TYR HB2 . 25653 1
191 . 1 1 22 22 TYR HB3 H 1 3.008 0.001 . 2 . . . A 22 TYR HB3 . 25653 1
192 . 1 1 22 22 TYR HD1 H 1 7.072 0.001 . 3 . . . A 22 TYR HD1 . 25653 1
193 . 1 1 22 22 TYR HD2 H 1 7.071 0.001 . 3 . . . A 22 TYR HD2 . 25653 1
194 . 1 1 22 22 TYR HE1 H 1 6.613 0.000 . 3 . . . A 22 TYR HE1 . 25653 1
195 . 1 1 22 22 TYR HE2 H 1 6.613 0.001 . 3 . . . A 22 TYR HE2 . 25653 1
196 . 1 1 22 22 TYR CA C 13 56.386 0.000 . 1 . . . A 22 TYR CA . 25653 1
197 . 1 1 22 22 TYR CB C 13 39.225 0.001 . 1 . . . A 22 TYR CB . 25653 1
198 . 1 1 22 22 TYR CD1 C 13 132.273 0.000 . 3 . . . A 22 TYR CD1 . 25653 1
199 . 1 1 22 22 TYR CD2 C 13 132.266 0.000 . 3 . . . A 22 TYR CD2 . 25653 1
200 . 1 1 22 22 TYR CE1 C 13 117.231 0.000 . 3 . . . A 22 TYR CE1 . 25653 1
201 . 1 1 22 22 TYR CE2 C 13 117.231 0.000 . 3 . . . A 22 TYR CE2 . 25653 1
202 . 1 1 23 23 PRO HA H 1 4.510 0.001 . 1 . . . A 23 PRO HA . 25653 1
203 . 1 1 23 23 PRO HB2 H 1 2.324 0.001 . 2 . . . A 23 PRO HB2 . 25653 1
204 . 1 1 23 23 PRO HB3 H 1 1.720 0.001 . 2 . . . A 23 PRO HB3 . 25653 1
205 . 1 1 23 23 PRO HG2 H 1 1.863 0.001 . 2 . . . A 23 PRO HG2 . 25653 1
206 . 1 1 23 23 PRO HG3 H 1 1.989 0.001 . 2 . . . A 23 PRO HG3 . 25653 1
207 . 1 1 23 23 PRO HD2 H 1 3.521 0.001 . 2 . . . A 23 PRO HD2 . 25653 1
208 . 1 1 23 23 PRO HD3 H 1 3.713 0.001 . 2 . . . A 23 PRO HD3 . 25653 1
209 . 1 1 23 23 PRO CA C 13 61.466 0.000 . 1 . . . A 23 PRO CA . 25653 1
210 . 1 1 23 23 PRO CB C 13 27.705 0.002 . 1 . . . A 23 PRO CB . 25653 1
211 . 1 1 23 23 PRO CG C 13 26.999 0.001 . 1 . . . A 23 PRO CG . 25653 1
212 . 1 1 23 23 PRO CD C 13 49.513 0.001 . 1 . . . A 23 PRO CD . 25653 1
213 . 1 1 24 24 THR H H 1 7.959 0.001 . 1 . . . A 24 THR H . 25653 1
214 . 1 1 24 24 THR HA H 1 4.994 0.001 . 1 . . . A 24 THR HA . 25653 1
215 . 1 1 24 24 THR HB H 1 4.128 0.001 . 1 . . . A 24 THR HB . 25653 1
216 . 1 1 24 24 THR HG21 H 1 1.073 0.001 . 1 . . . A 24 THR HG21 . 25653 1
217 . 1 1 24 24 THR HG22 H 1 1.073 0.001 . 1 . . . A 24 THR HG22 . 25653 1
218 . 1 1 24 24 THR HG23 H 1 1.073 0.001 . 1 . . . A 24 THR HG23 . 25653 1
219 . 1 1 24 24 THR CA C 13 60.198 0.000 . 1 . . . A 24 THR CA . 25653 1
220 . 1 1 24 24 THR CB C 13 68.850 0.000 . 1 . . . A 24 THR CB . 25653 1
221 . 1 1 24 24 THR CG2 C 13 22.387 0.000 . 1 . . . A 24 THR CG2 . 25653 1
222 . 1 1 25 25 PHE H H 1 8.297 0.001 . 1 . . . A 25 PHE H . 25653 1
223 . 1 1 25 25 PHE HA H 1 4.594 0.001 . 1 . . . A 25 PHE HA . 25653 1
224 . 1 1 25 25 PHE HB2 H 1 2.756 0.000 . 2 . . . A 25 PHE HB2 . 25653 1
225 . 1 1 25 25 PHE HB3 H 1 2.871 0.000 . 2 . . . A 25 PHE HB3 . 25653 1
226 . 1 1 25 25 PHE HD1 H 1 7.199 0.000 . 3 . . . A 25 PHE HD1 . 25653 1
227 . 1 1 25 25 PHE HD2 H 1 7.199 0.000 . 3 . . . A 25 PHE HD2 . 25653 1
228 . 1 1 25 25 PHE HE1 H 1 7.311 0.000 . 3 . . . A 25 PHE HE1 . 25653 1
229 . 1 1 25 25 PHE HE2 H 1 7.311 0.000 . 3 . . . A 25 PHE HE2 . 25653 1
230 . 1 1 25 25 PHE HZ H 1 7.264 0.000 . 1 . . . A 25 PHE HZ . 25653 1
231 . 1 1 25 25 PHE CA C 13 53.270 0.000 . 1 . . . A 25 PHE CA . 25653 1
232 . 1 1 25 25 PHE CB C 13 41.647 0.001 . 1 . . . A 25 PHE CB . 25653 1
233 . 1 1 25 25 PHE CD1 C 13 131.533 0.000 . 3 . . . A 25 PHE CD1 . 25653 1
234 . 1 1 25 25 PHE CD2 C 13 131.533 0.000 . 3 . . . A 25 PHE CD2 . 25653 1
235 . 1 1 25 25 PHE CE1 C 13 130.728 0.000 . 3 . . . A 25 PHE CE1 . 25653 1
236 . 1 1 25 25 PHE CE2 C 13 130.730 0.000 . 3 . . . A 25 PHE CE2 . 25653 1
237 . 1 1 25 25 PHE CZ C 13 129.103 0.000 . 1 . . . A 25 PHE CZ . 25653 1
238 . 1 1 26 26 PRO HA H 1 3.626 0.001 . 1 . . . A 26 PRO HA . 25653 1
239 . 1 1 26 26 PRO HB2 H 1 1.777 0.000 . 2 . . . A 26 PRO HB2 . 25653 1
240 . 1 1 26 26 PRO HB3 H 1 1.560 0.000 . 2 . . . A 26 PRO HB3 . 25653 1
241 . 1 1 26 26 PRO HG2 H 1 1.638 0.001 . 2 . . . A 26 PRO HG2 . 25653 1
242 . 1 1 26 26 PRO HG3 H 1 1.639 0.000 . 2 . . . A 26 PRO HG3 . 25653 1
243 . 1 1 26 26 PRO HD2 H 1 3.289 0.000 . 2 . . . A 26 PRO HD2 . 25653 1
244 . 1 1 26 26 PRO HD3 H 1 3.289 0.000 . 2 . . . A 26 PRO HD3 . 25653 1
245 . 1 1 26 26 PRO CA C 13 62.856 0.000 . 1 . . . A 26 PRO CA . 25653 1
246 . 1 1 26 26 PRO CB C 13 33.648 0.000 . 1 . . . A 26 PRO CB . 25653 1
247 . 1 1 26 26 PRO CG C 13 24.162 0.000 . 1 . . . A 26 PRO CG . 25653 1
248 . 1 1 26 26 PRO CD C 13 48.809 0.000 . 1 . . . A 26 PRO CD . 25653 1
249 . 1 1 27 27 GLU H H 1 7.227 0.001 . 1 . . . A 27 GLU H . 25653 1
250 . 1 1 27 27 GLU HA H 1 4.744 0.001 . 1 . . . A 27 GLU HA . 25653 1
251 . 1 1 27 27 GLU HB2 H 1 1.733 0.000 . 2 . . . A 27 GLU HB2 . 25653 1
252 . 1 1 27 27 GLU HB3 H 1 1.955 0.001 . 2 . . . A 27 GLU HB3 . 25653 1
253 . 1 1 27 27 GLU HG2 H 1 2.165 0.000 . 2 . . . A 27 GLU HG2 . 25653 1
254 . 1 1 27 27 GLU HG3 H 1 2.165 0.000 . 2 . . . A 27 GLU HG3 . 25653 1
255 . 1 1 27 27 GLU CA C 13 51.119 0.000 . 1 . . . A 27 GLU CA . 25653 1
256 . 1 1 27 27 GLU CB C 13 28.919 0.000 . 1 . . . A 27 GLU CB . 25653 1
257 . 1 1 27 27 GLU CG C 13 31.676 0.000 . 1 . . . A 27 GLU CG . 25653 1
258 . 1 1 28 28 PRO HA H 1 4.897 0.001 . 1 . . . A 28 PRO HA . 25653 1
259 . 1 1 28 28 PRO HB2 H 1 2.120 0.000 . 2 . . . A 28 PRO HB2 . 25653 1
260 . 1 1 28 28 PRO HB3 H 1 1.997 0.002 . 2 . . . A 28 PRO HB3 . 25653 1
261 . 1 1 28 28 PRO HG2 H 1 1.778 0.000 . 2 . . . A 28 PRO HG2 . 25653 1
262 . 1 1 28 28 PRO HG3 H 1 1.897 0.001 . 2 . . . A 28 PRO HG3 . 25653 1
263 . 1 1 28 28 PRO HD2 H 1 3.617 0.000 . 2 . . . A 28 PRO HD2 . 25653 1
264 . 1 1 28 28 PRO HD3 H 1 3.660 0.001 . 2 . . . A 28 PRO HD3 . 25653 1
265 . 1 1 28 28 PRO CA C 13 62.335 0.000 . 1 . . . A 28 PRO CA . 25653 1
266 . 1 1 28 28 PRO CB C 13 32.209 0.001 . 1 . . . A 28 PRO CB . 25653 1
267 . 1 1 28 28 PRO CG C 13 26.117 0.000 . 1 . . . A 28 PRO CG . 25653 1
268 . 1 1 28 28 PRO CD C 13 49.948 0.001 . 1 . . . A 28 PRO CD . 25653 1
269 . 1 1 29 29 ILE H H 1 7.717 0.001 . 1 . . . A 29 ILE H . 25653 1
270 . 1 1 29 29 ILE HA H 1 4.901 0.002 . 1 . . . A 29 ILE HA . 25653 1
271 . 1 1 29 29 ILE HB H 1 1.507 0.001 . 1 . . . A 29 ILE HB . 25653 1
272 . 1 1 29 29 ILE HG12 H 1 1.321 0.000 . 2 . . . A 29 ILE HG12 . 25653 1
273 . 1 1 29 29 ILE HG13 H 1 1.321 0.000 . 2 . . . A 29 ILE HG13 . 25653 1
274 . 1 1 29 29 ILE HG21 H 1 0.736 0.001 . 1 . . . A 29 ILE HG21 . 25653 1
275 . 1 1 29 29 ILE HG22 H 1 0.736 0.001 . 1 . . . A 29 ILE HG22 . 25653 1
276 . 1 1 29 29 ILE HG23 H 1 0.736 0.001 . 1 . . . A 29 ILE HG23 . 25653 1
277 . 1 1 29 29 ILE HD11 H 1 0.674 0.001 . 1 . . . A 29 ILE HD11 . 25653 1
278 . 1 1 29 29 ILE HD12 H 1 0.674 0.001 . 1 . . . A 29 ILE HD12 . 25653 1
279 . 1 1 29 29 ILE HD13 H 1 0.674 0.001 . 1 . . . A 29 ILE HD13 . 25653 1
280 . 1 1 29 29 ILE CA C 13 57.862 0.000 . 1 . . . A 29 ILE CA . 25653 1
281 . 1 1 29 29 ILE CB C 13 42.462 0.000 . 1 . . . A 29 ILE CB . 25653 1
282 . 1 1 29 29 ILE CG1 C 13 25.262 0.000 . 1 . . . A 29 ILE CG1 . 25653 1
283 . 1 1 29 29 ILE CG2 C 13 13.353 0.000 . 1 . . . A 29 ILE CG2 . 25653 1
284 . 1 1 29 29 ILE CD1 C 13 13.117 0.000 . 1 . . . A 29 ILE CD1 . 25653 1
285 . 1 1 30 30 CYS H H 1 8.439 0.001 . 1 . . . A 30 CYS H . 25653 1
286 . 1 1 30 30 CYS HA H 1 5.485 0.000 . 1 . . . A 30 CYS HA . 25653 1
287 . 1 1 30 30 CYS HB2 H 1 3.128 0.000 . 2 . . . A 30 CYS HB2 . 25653 1
288 . 1 1 30 30 CYS HB3 H 1 2.551 0.001 . 2 . . . A 30 CYS HB3 . 25653 1
289 . 1 1 30 30 CYS CA C 13 54.566 0.000 . 1 . . . A 30 CYS CA . 25653 1
290 . 1 1 30 30 CYS CB C 13 40.404 0.001 . 1 . . . A 30 CYS CB . 25653 1
291 . 1 1 31 31 GLY H H 1 9.902 0.001 . 1 . . . A 31 GLY H . 25653 1
292 . 1 1 31 31 GLY HA2 H 1 3.940 0.001 . 2 . . . A 31 GLY HA2 . 25653 1
293 . 1 1 31 31 GLY HA3 H 1 4.496 0.001 . 2 . . . A 31 GLY HA3 . 25653 1
294 . 1 1 31 31 GLY CA C 13 44.788 0.001 . 1 . . . A 31 GLY CA . 25653 1
295 . 1 1 32 32 VAL H H 1 8.216 0.001 . 1 . . . A 32 VAL H . 25653 1
296 . 1 1 32 32 VAL HA H 1 4.355 0.001 . 1 . . . A 32 VAL HA . 25653 1
297 . 1 1 32 32 VAL HB H 1 2.203 0.001 . 1 . . . A 32 VAL HB . 25653 1
298 . 1 1 32 32 VAL HG11 H 1 0.893 0.001 . 2 . . . A 32 VAL HG11 . 25653 1
299 . 1 1 32 32 VAL HG12 H 1 0.893 0.001 . 2 . . . A 32 VAL HG12 . 25653 1
300 . 1 1 32 32 VAL HG13 H 1 0.893 0.001 . 2 . . . A 32 VAL HG13 . 25653 1
301 . 1 1 32 32 VAL HG21 H 1 0.893 0.000 . 2 . . . A 32 VAL HG21 . 25653 1
302 . 1 1 32 32 VAL HG22 H 1 0.893 0.000 . 2 . . . A 32 VAL HG22 . 25653 1
303 . 1 1 32 32 VAL HG23 H 1 0.893 0.000 . 2 . . . A 32 VAL HG23 . 25653 1
304 . 1 1 32 32 VAL CA C 13 60.142 0.000 . 1 . . . A 32 VAL CA . 25653 1
305 . 1 1 32 32 VAL CB C 13 29.421 0.000 . 1 . . . A 32 VAL CB . 25653 1
306 . 1 1 32 32 VAL CG1 C 13 21.547 0.000 . 2 . . . A 32 VAL CG1 . 25653 1
307 . 1 1 32 32 VAL CG2 C 13 19.870 0.000 . 2 . . . A 32 VAL CG2 . 25653 1
stop_
save_