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 25598
_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' . . . 25598 1
3 '2D DQF-COSY' . . . 25598 1
4 '2D 1H-13C HSQC' . . . 25598 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 $SPARKY . . 25598 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 4.619 0.000 . . . . . A 1 CYS HA . 25598 1
2 . 1 1 1 1 CYS HB2 H 1 3.681 0.000 . . . . . A 1 CYS HB2 . 25598 1
3 . 1 1 1 1 CYS HB3 H 1 3.175 0.000 . . . . . A 1 CYS HB3 . 25598 1
4 . 1 1 1 1 CYS CA C 13 49.336 0.000 . . . . . A 1 CYS CA . 25598 1
5 . 1 1 1 1 CYS CB C 13 38.760 0.000 . . . . . A 1 CYS CB . 25598 1
6 . 1 1 2 2 PRO HA H 1 4.602 0.000 . . . . . A 2 PRO HA . 25598 1
7 . 1 1 2 2 PRO HB2 H 1 2.267 0.000 . . . . . A 2 PRO HB2 . 25598 1
8 . 1 1 2 2 PRO HB3 H 1 2.267 0.000 . . . . . A 2 PRO HB3 . 25598 1
9 . 1 1 2 2 PRO HG2 H 1 2.012 0.000 . . . . . A 2 PRO HG2 . 25598 1
10 . 1 1 2 2 PRO HG3 H 1 2.106 0.000 . . . . . A 2 PRO HG3 . 25598 1
11 . 1 1 2 2 PRO HD2 H 1 3.480 0.000 . . . . . A 2 PRO HD2 . 25598 1
12 . 1 1 2 2 PRO HD3 H 1 4.131 0.000 . . . . . A 2 PRO HD3 . 25598 1
13 . 1 1 2 2 PRO CA C 13 59.988 0.000 . . . . . A 2 PRO CA . 25598 1
14 . 1 1 2 2 PRO CB C 13 30.240 0.000 . . . . . A 2 PRO CB . 25598 1
15 . 1 1 2 2 PRO CG C 13 25.403 0.001 . . . . . A 2 PRO CG . 25598 1
16 . 1 1 2 2 PRO CD C 13 47.957 0.000 . . . . . A 2 PRO CD . 25598 1
17 . 1 1 3 3 GLY H H 1 7.939 0.000 . . . . . A 3 GLY H . 25598 1
18 . 1 1 3 3 GLY HA2 H 1 3.404 0.000 . . . . . A 3 GLY HA2 . 25598 1
19 . 1 1 3 3 GLY HA3 H 1 4.317 0.000 . . . . . A 3 GLY HA3 . 25598 1
20 . 1 1 3 3 GLY CA C 13 39.407 0.000 . . . . . A 3 GLY CA . 25598 1
21 . 1 1 4 4 GLU H H 1 8.370 0.000 . . . . . A 4 GLU H . 25598 1
22 . 1 1 4 4 GLU HA H 1 3.715 0.000 . . . . . A 4 GLU HA . 25598 1
23 . 1 1 4 4 GLU HB2 H 1 1.945 0.000 . . . . . A 4 GLU HB2 . 25598 1
24 . 1 1 4 4 GLU HB3 H 1 1.945 0.000 . . . . . A 4 GLU HB3 . 25598 1
25 . 1 1 4 4 GLU HG2 H 1 2.395 0.000 . . . . . A 4 GLU HG2 . 25598 1
26 . 1 1 4 4 GLU HG3 H 1 2.456 0.000 . . . . . A 4 GLU HG3 . 25598 1
27 . 1 1 4 4 GLU CA C 13 54.643 0.000 . . . . . A 4 GLU CA . 25598 1
28 . 1 1 4 4 GLU CB C 13 25.585 0.000 . . . . . A 4 GLU CB . 25598 1
29 . 1 1 4 4 GLU CG C 13 29.451 0.000 . . . . . A 4 GLU CG . 25598 1
30 . 1 1 5 5 GLY H H 1 9.299 0.000 . . . . . A 5 GLY H . 25598 1
31 . 1 1 5 5 GLY HA2 H 1 3.306 0.000 . . . . . A 5 GLY HA2 . 25598 1
32 . 1 1 5 5 GLY HA3 H 1 4.157 0.000 . . . . . A 5 GLY HA3 . 25598 1
33 . 1 1 5 5 GLY CA C 13 42.814 0.000 . . . . . A 5 GLY CA . 25598 1
34 . 1 1 6 6 GLU H H 1 7.885 0.000 . . . . . A 6 GLU H . 25598 1
35 . 1 1 6 6 GLU HA H 1 4.595 0.000 . . . . . A 6 GLU HA . 25598 1
36 . 1 1 6 6 GLU HB2 H 1 2.031 0.000 . . . . . A 6 GLU HB2 . 25598 1
37 . 1 1 6 6 GLU HB3 H 1 2.385 0.000 . . . . . A 6 GLU HB3 . 25598 1
38 . 1 1 6 6 GLU HG2 H 1 2.311 0.000 . . . . . A 6 GLU HG2 . 25598 1
39 . 1 1 6 6 GLU HG3 H 1 2.311 0.000 . . . . . A 6 GLU HG3 . 25598 1
40 . 1 1 6 6 GLU CA C 13 51.665 0.000 . . . . . A 6 GLU CA . 25598 1
41 . 1 1 6 6 GLU CB C 13 28.052 0.001 . . . . . A 6 GLU CB . 25598 1
42 . 1 1 6 6 GLU CG C 13 31.131 0.000 . . . . . A 6 GLU CG . 25598 1
43 . 1 1 7 7 GLU H H 1 8.444 0.000 . . . . . A 7 GLU H . 25598 1
44 . 1 1 7 7 GLU HA H 1 4.874 0.000 . . . . . A 7 GLU HA . 25598 1
45 . 1 1 7 7 GLU HB2 H 1 2.046 0.000 . . . . . A 7 GLU HB2 . 25598 1
46 . 1 1 7 7 GLU HB3 H 1 2.088 0.000 . . . . . A 7 GLU HB3 . 25598 1
47 . 1 1 7 7 GLU HG2 H 1 2.642 0.000 . . . . . A 7 GLU HG2 . 25598 1
48 . 1 1 7 7 GLU HG3 H 1 2.795 0.000 . . . . . A 7 GLU HG3 . 25598 1
49 . 1 1 7 7 GLU CA C 13 53.661 0.000 . . . . . A 7 GLU CA . 25598 1
50 . 1 1 7 7 GLU CB C 13 26.477 0.000 . . . . . A 7 GLU CB . 25598 1
51 . 1 1 7 7 GLU CG C 13 30.142 0.001 . . . . . A 7 GLU CG . 25598 1
52 . 1 1 8 8 CYS H H 1 8.627 0.000 . . . . . A 8 CYS H . 25598 1
53 . 1 1 8 8 CYS HA H 1 5.181 0.000 . . . . . A 8 CYS HA . 25598 1
54 . 1 1 8 8 CYS HB2 H 1 3.328 0.000 . . . . . A 8 CYS HB2 . 25598 1
55 . 1 1 8 8 CYS HB3 H 1 2.986 0.000 . . . . . A 8 CYS HB3 . 25598 1
56 . 1 1 8 8 CYS CA C 13 50.716 0.000 . . . . . A 8 CYS CA . 25598 1
57 . 1 1 8 8 CYS CB C 13 48.652 0.000 . . . . . A 8 CYS CB . 25598 1
58 . 1 1 9 9 ASP H H 1 7.775 0.000 . . . . . A 9 ASP H . 25598 1
59 . 1 1 9 9 ASP HA H 1 5.258 0.000 . . . . . A 9 ASP HA . 25598 1
60 . 1 1 9 9 ASP HB2 H 1 2.618 0.000 . . . . . A 9 ASP HB2 . 25598 1
61 . 1 1 9 9 ASP HB3 H 1 2.927 0.000 . . . . . A 9 ASP HB3 . 25598 1
62 . 1 1 9 9 ASP CA C 13 49.407 0.000 . . . . . A 9 ASP CA . 25598 1
63 . 1 1 9 9 ASP CB C 13 37.877 0.000 . . . . . A 9 ASP CB . 25598 1
64 . 1 1 10 10 VAL H H 1 8.711 0.000 . . . . . A 10 VAL H . 25598 1
65 . 1 1 10 10 VAL HA H 1 3.610 0.000 . . . . . A 10 VAL HA . 25598 1
66 . 1 1 10 10 VAL HB H 1 2.183 0.001 . . . . . A 10 VAL HB . 25598 1
67 . 1 1 10 10 VAL HG11 H 1 1.052 0.000 . . . . . A 10 VAL HG11 . 25598 1
68 . 1 1 10 10 VAL HG12 H 1 1.052 0.000 . . . . . A 10 VAL HG12 . 25598 1
69 . 1 1 10 10 VAL HG13 H 1 1.052 0.000 . . . . . A 10 VAL HG13 . 25598 1
70 . 1 1 10 10 VAL HG21 H 1 1.042 0.000 . . . . . A 10 VAL HG21 . 25598 1
71 . 1 1 10 10 VAL HG22 H 1 1.042 0.000 . . . . . A 10 VAL HG22 . 25598 1
72 . 1 1 10 10 VAL HG23 H 1 1.042 0.000 . . . . . A 10 VAL HG23 . 25598 1
73 . 1 1 10 10 VAL CA C 13 63.207 0.000 . . . . . A 10 VAL CA . 25598 1
74 . 1 1 10 10 VAL CB C 13 29.274 0.000 . . . . . A 10 VAL CB . 25598 1
75 . 1 1 10 10 VAL CG1 C 13 19.381 0.000 . . . . . A 10 VAL CG1 . 25598 1
76 . 1 1 10 10 VAL CG2 C 13 17.067 0.000 . . . . . A 10 VAL CG2 . 25598 1
77 . 1 1 11 11 GLU H H 1 7.332 0.000 . . . . . A 11 GLU H . 25598 1
78 . 1 1 11 11 GLU HA H 1 4.237 0.000 . . . . . A 11 GLU HA . 25598 1
79 . 1 1 11 11 GLU HB2 H 1 1.707 0.000 . . . . . A 11 GLU HB2 . 25598 1
80 . 1 1 11 11 GLU HB3 H 1 1.707 0.000 . . . . . A 11 GLU HB3 . 25598 1
81 . 1 1 11 11 GLU HG2 H 1 1.941 0.000 . . . . . A 11 GLU HG2 . 25598 1
82 . 1 1 11 11 GLU HG3 H 1 2.071 0.000 . . . . . A 11 GLU HG3 . 25598 1
83 . 1 1 11 11 GLU CA C 13 54.217 0.000 . . . . . A 11 GLU CA . 25598 1
84 . 1 1 11 11 GLU CB C 13 26.488 0.000 . . . . . A 11 GLU CB . 25598 1
85 . 1 1 11 11 GLU CG C 13 29.931 0.000 . . . . . A 11 GLU CG . 25598 1
86 . 1 1 12 12 PHE H H 1 6.986 0.000 . . . . . A 12 PHE H . 25598 1
87 . 1 1 12 12 PHE HA H 1 4.798 0.000 . . . . . A 12 PHE HA . 25598 1
88 . 1 1 12 12 PHE HB2 H 1 2.794 0.000 . . . . . A 12 PHE HB2 . 25598 1
89 . 1 1 12 12 PHE HB3 H 1 3.118 0.000 . . . . . A 12 PHE HB3 . 25598 1
90 . 1 1 12 12 PHE HD1 H 1 7.182 0.000 . . . . . A 12 PHE HD1 . 25598 1
91 . 1 1 12 12 PHE HD2 H 1 7.182 0.000 . . . . . A 12 PHE HD2 . 25598 1
92 . 1 1 12 12 PHE HE1 H 1 7.278 0.000 . . . . . A 12 PHE HE1 . 25598 1
93 . 1 1 12 12 PHE HE2 H 1 7.278 0.000 . . . . . A 12 PHE HE2 . 25598 1
94 . 1 1 12 12 PHE HZ H 1 7.232 0.000 . . . . . A 12 PHE HZ . 25598 1
95 . 1 1 12 12 PHE CA C 13 55.836 0.000 . . . . . A 12 PHE CA . 25598 1
96 . 1 1 12 12 PHE CB C 13 39.352 0.000 . . . . . A 12 PHE CB . 25598 1
97 . 1 1 13 13 ASN H H 1 8.577 0.000 . . . . . A 13 ASN H . 25598 1
98 . 1 1 13 13 ASN HA H 1 5.254 0.000 . . . . . A 13 ASN HA . 25598 1
99 . 1 1 13 13 ASN HB2 H 1 2.426 0.000 . . . . . A 13 ASN HB2 . 25598 1
100 . 1 1 13 13 ASN HB3 H 1 2.717 0.000 . . . . . A 13 ASN HB3 . 25598 1
101 . 1 1 13 13 ASN HD21 H 1 6.572 0.000 . . . . . A 13 ASN HD21 . 25598 1
102 . 1 1 13 13 ASN HD22 H 1 7.542 0.000 . . . . . A 13 ASN HD22 . 25598 1
103 . 1 1 13 13 ASN CA C 13 48.886 0.000 . . . . . A 13 ASN CA . 25598 1
104 . 1 1 13 13 ASN CB C 13 36.090 0.000 . . . . . A 13 ASN CB . 25598 1
105 . 1 1 14 14 PRO HA H 1 4.144 0.000 . . . . . A 14 PRO HA . 25598 1
106 . 1 1 14 14 PRO HB2 H 1 2.293 0.000 . . . . . A 14 PRO HB2 . 25598 1
107 . 1 1 14 14 PRO HB3 H 1 2.130 0.000 . . . . . A 14 PRO HB3 . 25598 1
108 . 1 1 14 14 PRO HG2 H 1 1.950 0.000 . . . . . A 14 PRO HG2 . 25598 1
109 . 1 1 14 14 PRO HG3 H 1 2.023 0.000 . . . . . A 14 PRO HG3 . 25598 1
110 . 1 1 14 14 PRO HD2 H 1 3.350 0.000 . . . . . A 14 PRO HD2 . 25598 1
111 . 1 1 14 14 PRO HD3 H 1 3.583 0.000 . . . . . A 14 PRO HD3 . 25598 1
112 . 1 1 14 14 PRO CA C 13 60.036 0.000 . . . . . A 14 PRO CA . 25598 1
113 . 1 1 14 14 PRO CB C 13 29.402 0.000 . . . . . A 14 PRO CB . 25598 1
114 . 1 1 14 14 PRO CG C 13 24.126 0.000 . . . . . A 14 PRO CG . 25598 1
115 . 1 1 14 14 PRO CD C 13 47.274 0.000 . . . . . A 14 PRO CD . 25598 1
116 . 1 1 15 15 CYS H H 1 7.281 0.000 . . . . . A 15 CYS H . 25598 1
117 . 1 1 15 15 CYS HA H 1 4.414 0.000 . . . . . A 15 CYS HA . 25598 1
118 . 1 1 15 15 CYS HB2 H 1 3.030 0.000 . . . . . A 15 CYS HB2 . 25598 1
119 . 1 1 15 15 CYS HB3 H 1 2.447 0.000 . . . . . A 15 CYS HB3 . 25598 1
120 . 1 1 15 15 CYS CA C 13 53.245 0.000 . . . . . A 15 CYS CA . 25598 1
121 . 1 1 15 15 CYS CB C 13 40.022 0.000 . . . . . A 15 CYS CB . 25598 1
122 . 1 1 16 16 CYS H H 1 8.779 0.000 . . . . . A 16 CYS H . 25598 1
123 . 1 1 16 16 CYS HA H 1 4.818 0.000 . . . . . A 16 CYS HA . 25598 1
124 . 1 1 16 16 CYS HB2 H 1 3.232 0.000 . . . . . A 16 CYS HB2 . 25598 1
125 . 1 1 16 16 CYS HB3 H 1 2.388 0.000 . . . . . A 16 CYS HB3 . 25598 1
126 . 1 1 16 16 CYS CA C 13 49.737 0.000 . . . . . A 16 CYS CA . 25598 1
127 . 1 1 16 16 CYS CB C 13 35.241 0.000 . . . . . A 16 CYS CB . 25598 1
128 . 1 1 17 17 PRO HA H 1 4.929 0.000 . . . . . A 17 PRO HA . 25598 1
129 . 1 1 17 17 PRO HB2 H 1 2.329 0.000 . . . . . A 17 PRO HB2 . 25598 1
130 . 1 1 17 17 PRO HB3 H 1 1.834 0.000 . . . . . A 17 PRO HB3 . 25598 1
131 . 1 1 17 17 PRO HG2 H 1 2.091 0.000 . . . . . A 17 PRO HG2 . 25598 1
132 . 1 1 17 17 PRO HG3 H 1 2.194 0.000 . . . . . A 17 PRO HG3 . 25598 1
133 . 1 1 17 17 PRO HD2 H 1 3.691 0.000 . . . . . A 17 PRO HD2 . 25598 1
134 . 1 1 17 17 PRO HD3 H 1 4.080 0.000 . . . . . A 17 PRO HD3 . 25598 1
135 . 1 1 17 17 PRO CA C 13 58.845 0.000 . . . . . A 17 PRO CA . 25598 1
136 . 1 1 17 17 PRO CB C 13 28.075 0.000 . . . . . A 17 PRO CB . 25598 1
137 . 1 1 17 17 PRO CG C 13 25.114 0.000 . . . . . A 17 PRO CG . 25598 1
138 . 1 1 17 17 PRO CD C 13 47.052 0.001 . . . . . A 17 PRO CD . 25598 1
139 . 1 1 18 18 PRO HA H 1 4.802 0.000 . . . . . A 18 PRO HA . 25598 1
140 . 1 1 18 18 PRO HB2 H 1 2.735 0.000 . . . . . A 18 PRO HB2 . 25598 1
141 . 1 1 18 18 PRO HB3 H 1 1.918 0.000 . . . . . A 18 PRO HB3 . 25598 1
142 . 1 1 18 18 PRO HG2 H 1 1.632 0.000 . . . . . A 18 PRO HG2 . 25598 1
143 . 1 1 18 18 PRO HG3 H 1 2.002 0.000 . . . . . A 18 PRO HG3 . 25598 1
144 . 1 1 18 18 PRO HD2 H 1 3.245 0.000 . . . . . A 18 PRO HD2 . 25598 1
145 . 1 1 18 18 PRO HD3 H 1 3.594 0.000 . . . . . A 18 PRO HD3 . 25598 1
146 . 1 1 18 18 PRO CA C 13 61.052 0.000 . . . . . A 18 PRO CA . 25598 1
147 . 1 1 18 18 PRO CB C 13 28.734 0.000 . . . . . A 18 PRO CB . 25598 1
148 . 1 1 18 18 PRO CG C 13 21.458 0.000 . . . . . A 18 PRO CG . 25598 1
149 . 1 1 18 18 PRO CD C 13 45.701 0.000 . . . . . A 18 PRO CD . 25598 1
150 . 1 1 19 19 LEU H H 1 8.755 0.000 . . . . . A 19 LEU H . 25598 1
151 . 1 1 19 19 LEU HA H 1 4.372 0.000 . . . . . A 19 LEU HA . 25598 1
152 . 1 1 19 19 LEU HB2 H 1 1.417 0.000 . . . . . A 19 LEU HB2 . 25598 1
153 . 1 1 19 19 LEU HB3 H 1 2.191 0.000 . . . . . A 19 LEU HB3 . 25598 1
154 . 1 1 19 19 LEU HG H 1 1.655 0.000 . . . . . A 19 LEU HG . 25598 1
155 . 1 1 19 19 LEU HD11 H 1 0.929 0.000 . . . . . A 19 LEU HD11 . 25598 1
156 . 1 1 19 19 LEU HD12 H 1 0.929 0.000 . . . . . A 19 LEU HD12 . 25598 1
157 . 1 1 19 19 LEU HD13 H 1 0.929 0.000 . . . . . A 19 LEU HD13 . 25598 1
158 . 1 1 19 19 LEU HD21 H 1 0.776 0.000 . . . . . A 19 LEU HD21 . 25598 1
159 . 1 1 19 19 LEU HD22 H 1 0.776 0.000 . . . . . A 19 LEU HD22 . 25598 1
160 . 1 1 19 19 LEU HD23 H 1 0.776 0.000 . . . . . A 19 LEU HD23 . 25598 1
161 . 1 1 19 19 LEU CA C 13 53.837 0.000 . . . . . A 19 LEU CA . 25598 1
162 . 1 1 19 19 LEU CB C 13 39.006 0.000 . . . . . A 19 LEU CB . 25598 1
163 . 1 1 19 19 LEU CG C 13 26.350 0.000 . . . . . A 19 LEU CG . 25598 1
164 . 1 1 19 19 LEU CD1 C 13 23.209 0.000 . . . . . A 19 LEU CD1 . 25598 1
165 . 1 1 19 19 LEU CD2 C 13 22.247 0.000 . . . . . A 19 LEU CD2 . 25598 1
166 . 1 1 20 20 THR H H 1 8.861 0.000 . . . . . A 20 THR H . 25598 1
167 . 1 1 20 20 THR HA H 1 4.512 0.000 . . . . . A 20 THR HA . 25598 1
168 . 1 1 20 20 THR HB H 1 3.854 0.000 . . . . . A 20 THR HB . 25598 1
169 . 1 1 20 20 THR HG21 H 1 1.182 0.000 . . . . . A 20 THR HG21 . 25598 1
170 . 1 1 20 20 THR HG22 H 1 1.182 0.000 . . . . . A 20 THR HG22 . 25598 1
171 . 1 1 20 20 THR HG23 H 1 1.182 0.000 . . . . . A 20 THR HG23 . 25598 1
172 . 1 1 20 20 THR CA C 13 58.332 0.000 . . . . . A 20 THR CA . 25598 1
173 . 1 1 20 20 THR CB C 13 68.291 0.000 . . . . . A 20 THR CB . 25598 1
174 . 1 1 20 20 THR CG2 C 13 18.388 0.000 . . . . . A 20 THR CG2 . 25598 1
175 . 1 1 21 21 CYS H H 1 7.977 0.000 . . . . . A 21 CYS H . 25598 1
176 . 1 1 21 21 CYS HA H 1 4.712 0.000 . . . . . A 21 CYS HA . 25598 1
177 . 1 1 21 21 CYS HB2 H 1 3.174 0.000 . . . . . A 21 CYS HB2 . 25598 1
178 . 1 1 21 21 CYS HB3 H 1 2.779 0.000 . . . . . A 21 CYS HB3 . 25598 1
179 . 1 1 21 21 CYS CA C 13 52.354 0.000 . . . . . A 21 CYS CA . 25598 1
180 . 1 1 21 21 CYS CB C 13 37.262 0.000 . . . . . A 21 CYS CB . 25598 1
181 . 1 1 22 22 ILE H H 1 8.810 0.000 . . . . . A 22 ILE H . 25598 1
182 . 1 1 22 22 ILE HA H 1 4.666 0.000 . . . . . A 22 ILE HA . 25598 1
183 . 1 1 22 22 ILE HB H 1 2.177 0.000 . . . . . A 22 ILE HB . 25598 1
184 . 1 1 22 22 ILE HG12 H 1 1.230 0.000 . . . . . A 22 ILE HG12 . 25598 1
185 . 1 1 22 22 ILE HG13 H 1 1.672 0.000 . . . . . A 22 ILE HG13 . 25598 1
186 . 1 1 22 22 ILE HG21 H 1 0.889 0.000 . . . . . A 22 ILE HG21 . 25598 1
187 . 1 1 22 22 ILE HG22 H 1 0.889 0.000 . . . . . A 22 ILE HG22 . 25598 1
188 . 1 1 22 22 ILE HG23 H 1 0.889 0.000 . . . . . A 22 ILE HG23 . 25598 1
189 . 1 1 22 22 ILE HD11 H 1 0.767 0.000 . . . . . A 22 ILE HD11 . 25598 1
190 . 1 1 22 22 ILE HD12 H 1 0.767 0.000 . . . . . A 22 ILE HD12 . 25598 1
191 . 1 1 22 22 ILE HD13 H 1 0.767 0.000 . . . . . A 22 ILE HD13 . 25598 1
192 . 1 1 22 22 ILE CA C 13 54.711 0.000 . . . . . A 22 ILE CA . 25598 1
193 . 1 1 22 22 ILE CB C 13 38.249 0.000 . . . . . A 22 ILE CB . 25598 1
194 . 1 1 22 22 ILE CG1 C 13 24.203 0.001 . . . . . A 22 ILE CG1 . 25598 1
195 . 1 1 22 22 ILE CG2 C 13 13.381 0.000 . . . . . A 22 ILE CG2 . 25598 1
196 . 1 1 22 22 ILE CD1 C 13 9.410 0.000 . . . . . A 22 ILE CD1 . 25598 1
197 . 1 1 23 23 PRO HA H 1 4.613 0.000 . . . . . A 23 PRO HA . 25598 1
198 . 1 1 23 23 PRO HB2 H 1 2.448 0.000 . . . . . A 23 PRO HB2 . 25598 1
199 . 1 1 23 23 PRO HB3 H 1 2.118 0.000 . . . . . A 23 PRO HB3 . 25598 1
200 . 1 1 23 23 PRO HG2 H 1 2.017 0.000 . . . . . A 23 PRO HG2 . 25598 1
201 . 1 1 23 23 PRO HG3 H 1 2.323 0.000 . . . . . A 23 PRO HG3 . 25598 1
202 . 1 1 23 23 PRO HD2 H 1 3.735 0.000 . . . . . A 23 PRO HD2 . 25598 1
203 . 1 1 23 23 PRO HD3 H 1 4.177 0.000 . . . . . A 23 PRO HD3 . 25598 1
204 . 1 1 23 23 PRO CA C 13 61.797 0.000 . . . . . A 23 PRO CA . 25598 1
205 . 1 1 23 23 PRO CB C 13 31.468 0.001 . . . . . A 23 PRO CB . 25598 1
206 . 1 1 23 23 PRO CG C 13 22.696 0.000 . . . . . A 23 PRO CG . 25598 1
207 . 1 1 23 23 PRO CD C 13 47.293 0.002 . . . . . A 23 PRO CD . 25598 1
208 . 1 1 24 24 GLY H H 1 7.893 0.000 . . . . . A 24 GLY H . 25598 1
209 . 1 1 24 24 GLY HA2 H 1 3.104 0.000 . . . . . A 24 GLY HA2 . 25598 1
210 . 1 1 24 24 GLY HA3 H 1 3.668 0.000 . . . . . A 24 GLY HA3 . 25598 1
211 . 1 1 24 24 GLY CA C 13 44.548 0.000 . . . . . A 24 GLY CA . 25598 1
212 . 1 1 25 25 ASP H H 1 7.766 0.000 . . . . . A 25 ASP H . 25598 1
213 . 1 1 25 25 ASP HA H 1 5.109 0.000 . . . . . A 25 ASP HA . 25598 1
214 . 1 1 25 25 ASP HB2 H 1 2.375 0.000 . . . . . A 25 ASP HB2 . 25598 1
215 . 1 1 25 25 ASP HB3 H 1 3.032 0.000 . . . . . A 25 ASP HB3 . 25598 1
216 . 1 1 25 25 ASP CA C 13 48.178 0.000 . . . . . A 25 ASP CA . 25598 1
217 . 1 1 25 25 ASP CB C 13 35.945 0.000 . . . . . A 25 ASP CB . 25598 1
218 . 1 1 26 26 PRO HA H 1 4.292 0.000 . . . . . A 26 PRO HA . 25598 1
219 . 1 1 26 26 PRO HB2 H 1 1.931 0.000 . . . . . A 26 PRO HB2 . 25598 1
220 . 1 1 26 26 PRO HB3 H 1 1.931 0.000 . . . . . A 26 PRO HB3 . 25598 1
221 . 1 1 26 26 PRO HG2 H 1 0.996 0.000 . . . . . A 26 PRO HG2 . 25598 1
222 . 1 1 26 26 PRO HG3 H 1 1.630 0.000 . . . . . A 26 PRO HG3 . 25598 1
223 . 1 1 26 26 PRO HD2 H 1 3.447 0.000 . . . . . A 26 PRO HD2 . 25598 1
224 . 1 1 26 26 PRO HD3 H 1 3.514 0.000 . . . . . A 26 PRO HD3 . 25598 1
225 . 1 1 26 26 PRO CA C 13 60.921 0.000 . . . . . A 26 PRO CA . 25598 1
226 . 1 1 26 26 PRO CB C 13 31.683 0.000 . . . . . A 26 PRO CB . 25598 1
227 . 1 1 26 26 PRO CG C 13 20.478 0.000 . . . . . A 26 PRO CG . 25598 1
228 . 1 1 26 26 PRO CD C 13 47.622 0.000 . . . . . A 26 PRO CD . 25598 1
229 . 1 1 27 27 TYR H H 1 7.461 0.000 . . . . . A 27 TYR H . 25598 1
230 . 1 1 27 27 TYR HA H 1 5.461 0.000 . . . . . A 27 TYR HA . 25598 1
231 . 1 1 27 27 TYR HB2 H 1 3.043 0.000 . . . . . A 27 TYR HB2 . 25598 1
232 . 1 1 27 27 TYR HB3 H 1 3.369 0.000 . . . . . A 27 TYR HB3 . 25598 1
233 . 1 1 27 27 TYR HD1 H 1 7.219 0.000 . . . . . A 27 TYR HD1 . 25598 1
234 . 1 1 27 27 TYR HD2 H 1 7.219 0.000 . . . . . A 27 TYR HD2 . 25598 1
235 . 1 1 27 27 TYR HE1 H 1 6.797 0.000 . . . . . A 27 TYR HE1 . 25598 1
236 . 1 1 27 27 TYR HE2 H 1 6.797 0.000 . . . . . A 27 TYR HE2 . 25598 1
237 . 1 1 27 27 TYR CA C 13 54.906 0.000 . . . . . A 27 TYR CA . 25598 1
238 . 1 1 27 27 TYR CB C 13 37.815 0.001 . . . . . A 27 TYR CB . 25598 1
239 . 1 1 28 28 GLY H H 1 8.322 0.000 . . . . . A 28 GLY H . 25598 1
240 . 1 1 28 28 GLY HA2 H 1 3.802 0.000 . . . . . A 28 GLY HA2 . 25598 1
241 . 1 1 28 28 GLY HA3 H 1 4.202 0.000 . . . . . A 28 GLY HA3 . 25598 1
242 . 1 1 28 28 GLY CA C 13 44.197 0.000 . . . . . A 28 GLY CA . 25598 1
243 . 1 1 29 29 ILE H H 1 8.680 0.000 . . . . . A 29 ILE H . 25598 1
244 . 1 1 29 29 ILE HA H 1 4.764 0.000 . . . . . A 29 ILE HA . 25598 1
245 . 1 1 29 29 ILE HB H 1 1.708 0.000 . . . . . A 29 ILE HB . 25598 1
246 . 1 1 29 29 ILE HG12 H 1 1.226 0.000 . . . . . A 29 ILE HG12 . 25598 1
247 . 1 1 29 29 ILE HG13 H 1 1.560 0.000 . . . . . A 29 ILE HG13 . 25598 1
248 . 1 1 29 29 ILE HG21 H 1 0.545 0.000 . . . . . A 29 ILE HG21 . 25598 1
249 . 1 1 29 29 ILE HG22 H 1 0.545 0.000 . . . . . A 29 ILE HG22 . 25598 1
250 . 1 1 29 29 ILE HG23 H 1 0.545 0.000 . . . . . A 29 ILE HG23 . 25598 1
251 . 1 1 29 29 ILE HD11 H 1 0.872 0.000 . . . . . A 29 ILE HD11 . 25598 1
252 . 1 1 29 29 ILE HD12 H 1 0.872 0.000 . . . . . A 29 ILE HD12 . 25598 1
253 . 1 1 29 29 ILE HD13 H 1 0.872 0.000 . . . . . A 29 ILE HD13 . 25598 1
254 . 1 1 29 29 ILE CA C 13 56.225 0.000 . . . . . A 29 ILE CA . 25598 1
255 . 1 1 29 29 ILE CB C 13 38.513 0.000 . . . . . A 29 ILE CB . 25598 1
256 . 1 1 29 29 ILE CG1 C 13 25.053 0.000 . . . . . A 29 ILE CG1 . 25598 1
257 . 1 1 29 29 ILE CG2 C 13 14.753 0.000 . . . . . A 29 ILE CG2 . 25598 1
258 . 1 1 29 29 ILE CD1 C 13 9.204 0.000 . . . . . A 29 ILE CD1 . 25598 1
259 . 1 1 30 30 CYS H H 1 8.129 0.000 . . . . . A 30 CYS H . 25598 1
260 . 1 1 30 30 CYS HA H 1 5.216 0.000 . . . . . A 30 CYS HA . 25598 1
261 . 1 1 30 30 CYS HB2 H 1 3.333 0.000 . . . . . A 30 CYS HB2 . 25598 1
262 . 1 1 30 30 CYS HB3 H 1 2.629 0.000 . . . . . A 30 CYS HB3 . 25598 1
263 . 1 1 30 30 CYS CA C 13 52.790 0.000 . . . . . A 30 CYS CA . 25598 1
264 . 1 1 30 30 CYS CB C 13 39.006 0.000 . . . . . A 30 CYS CB . 25598 1
265 . 1 1 31 31 TYR H H 1 9.355 0.000 . . . . . A 31 TYR H . 25598 1
266 . 1 1 31 31 TYR HA H 1 4.970 0.000 . . . . . A 31 TYR HA . 25598 1
267 . 1 1 31 31 TYR HB2 H 1 2.620 0.000 . . . . . A 31 TYR HB2 . 25598 1
268 . 1 1 31 31 TYR HB3 H 1 3.064 0.000 . . . . . A 31 TYR HB3 . 25598 1
269 . 1 1 31 31 TYR HD1 H 1 7.193 0.000 . . . . . A 31 TYR HD1 . 25598 1
270 . 1 1 31 31 TYR HD2 H 1 7.193 0.000 . . . . . A 31 TYR HD2 . 25598 1
271 . 1 1 31 31 TYR HE1 H 1 6.683 0.000 . . . . . A 31 TYR HE1 . 25598 1
272 . 1 1 31 31 TYR HE2 H 1 6.683 0.000 . . . . . A 31 TYR HE2 . 25598 1
273 . 1 1 31 31 TYR CA C 13 54.809 0.000 . . . . . A 31 TYR CA . 25598 1
274 . 1 1 31 31 TYR CB C 13 40.611 0.000 . . . . . A 31 TYR CB . 25598 1
275 . 1 1 32 32 ILE H H 1 8.084 0.000 . . . . . A 32 ILE H . 25598 1
276 . 1 1 32 32 ILE HA H 1 4.413 0.000 . . . . . A 32 ILE HA . 25598 1
277 . 1 1 32 32 ILE HB H 1 1.776 0.000 . . . . . A 32 ILE HB . 25598 1
278 . 1 1 32 32 ILE HG12 H 1 1.114 0.000 . . . . . A 32 ILE HG12 . 25598 1
279 . 1 1 32 32 ILE HG13 H 1 1.635 0.000 . . . . . A 32 ILE HG13 . 25598 1
280 . 1 1 32 32 ILE HG21 H 1 0.973 0.000 . . . . . A 32 ILE HG21 . 25598 1
281 . 1 1 32 32 ILE HG22 H 1 0.973 0.000 . . . . . A 32 ILE HG22 . 25598 1
282 . 1 1 32 32 ILE HG23 H 1 0.973 0.000 . . . . . A 32 ILE HG23 . 25598 1
283 . 1 1 32 32 ILE HD11 H 1 0.913 0.000 . . . . . A 32 ILE HD11 . 25598 1
284 . 1 1 32 32 ILE HD12 H 1 0.913 0.000 . . . . . A 32 ILE HD12 . 25598 1
285 . 1 1 32 32 ILE HD13 H 1 0.913 0.000 . . . . . A 32 ILE HD13 . 25598 1
286 . 1 1 32 32 ILE CA C 13 58.102 0.000 . . . . . A 32 ILE CA . 25598 1
287 . 1 1 32 32 ILE CB C 13 36.849 0.000 . . . . . A 32 ILE CB . 25598 1
288 . 1 1 32 32 ILE CG1 C 13 25.657 0.000 . . . . . A 32 ILE CG1 . 25598 1
289 . 1 1 32 32 ILE CG2 C 13 14.201 0.000 . . . . . A 32 ILE CG2 . 25598 1
290 . 1 1 32 32 ILE CD1 C 13 10.563 0.000 . . . . . A 32 ILE CD1 . 25598 1
291 . 1 1 33 33 ILE H H 1 8.178 0.000 . . . . . A 33 ILE H . 25598 1
292 . 1 1 33 33 ILE HA H 1 4.461 0.000 . . . . . A 33 ILE HA . 25598 1
293 . 1 1 33 33 ILE HB H 1 1.952 0.001 . . . . . A 33 ILE HB . 25598 1
294 . 1 1 33 33 ILE HG12 H 1 1.323 0.000 . . . . . A 33 ILE HG12 . 25598 1
295 . 1 1 33 33 ILE HG13 H 1 1.545 0.000 . . . . . A 33 ILE HG13 . 25598 1
296 . 1 1 33 33 ILE HG21 H 1 0.969 0.000 . . . . . A 33 ILE HG21 . 25598 1
297 . 1 1 33 33 ILE HG22 H 1 0.969 0.000 . . . . . A 33 ILE HG22 . 25598 1
298 . 1 1 33 33 ILE HG23 H 1 0.969 0.000 . . . . . A 33 ILE HG23 . 25598 1
299 . 1 1 33 33 ILE HD11 H 1 0.916 0.000 . . . . . A 33 ILE HD11 . 25598 1
300 . 1 1 33 33 ILE HD12 H 1 0.916 0.000 . . . . . A 33 ILE HD12 . 25598 1
301 . 1 1 33 33 ILE HD13 H 1 0.916 0.000 . . . . . A 33 ILE HD13 . 25598 1
302 . 1 1 33 33 ILE CA C 13 56.916 0.000 . . . . . A 33 ILE CA . 25598 1
303 . 1 1 33 33 ILE CB C 13 36.867 0.000 . . . . . A 33 ILE CB . 25598 1
304 . 1 1 33 33 ILE CG1 C 13 24.942 0.000 . . . . . A 33 ILE CG1 . 25598 1
305 . 1 1 33 33 ILE CG2 C 13 14.873 0.000 . . . . . A 33 ILE CG2 . 25598 1
306 . 1 1 33 33 ILE CD1 C 13 10.649 0.000 . . . . . A 33 ILE CD1 . 25598 1
stop_
save_