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 25050
_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 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_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' . . . 25050 1
2 '2D 1H-1H TOCSY' . . . 25050 1
4 '2D 1H-13C HSQC aliphatic' . . . 25050 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
3 $CARA . . 25050 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 2 2 CYS H H 1 8.404 0.01 . 1 . . . A 2 CYS H . 25050 1
2 . 1 1 2 2 CYS HA H 1 4.923 0.01 . 1 . . . A 2 CYS HA . 25050 1
3 . 1 1 2 2 CYS HB2 H 1 2.980 0.01 . 1 . . . A 2 CYS HB2 . 25050 1
4 . 1 1 2 2 CYS HB3 H 1 2.980 0.01 . 1 . . . A 2 CYS HB3 . 25050 1
5 . 1 1 2 2 CYS CA C 13 53.693 0.1 . 1 . . . A 2 CYS CA . 25050 1
6 . 1 1 2 2 CYS CB C 13 42.729 0.1 . 1 . . . A 2 CYS CB . 25050 1
7 . 1 1 3 3 ILE H H 1 8.924 0.01 . 1 . . . A 3 ILE H . 25050 1
8 . 1 1 3 3 ILE HA H 1 3.929 0.01 . 1 . . . A 3 ILE HA . 25050 1
9 . 1 1 3 3 ILE HB H 1 1.710 0.01 . 1 . . . A 3 ILE HB . 25050 1
10 . 1 1 3 3 ILE HG12 H 1 0.916 0.01 . 2 . . . A 3 ILE HG12 . 25050 1
11 . 1 1 3 3 ILE HG13 H 1 1.363 0.01 . 2 . . . A 3 ILE HG13 . 25050 1
12 . 1 1 3 3 ILE HG21 H 1 0.917 0.01 . 1 . . . A 3 ILE HG21 . 25050 1
13 . 1 1 3 3 ILE HG22 H 1 0.917 0.01 . 1 . . . A 3 ILE HG22 . 25050 1
14 . 1 1 3 3 ILE HG23 H 1 0.917 0.01 . 1 . . . A 3 ILE HG23 . 25050 1
15 . 1 1 3 3 ILE HD11 H 1 0.754 0.01 . 1 . . . A 3 ILE HD11 . 25050 1
16 . 1 1 3 3 ILE HD12 H 1 0.754 0.01 . 1 . . . A 3 ILE HD12 . 25050 1
17 . 1 1 3 3 ILE HD13 H 1 0.754 0.01 . 1 . . . A 3 ILE HD13 . 25050 1
18 . 1 1 3 3 ILE CA C 13 61.148 0.1 . 1 . . . A 3 ILE CA . 25050 1
19 . 1 1 3 3 ILE CB C 13 38.040 0.1 . 1 . . . A 3 ILE CB . 25050 1
20 . 1 1 3 3 ILE CG1 C 13 26.824 0.1 . 1 . . . A 3 ILE CG1 . 25050 1
21 . 1 1 3 3 ILE CG2 C 13 19.629 0.1 . 1 . . . A 3 ILE CG2 . 25050 1
22 . 1 1 3 3 ILE CD1 C 13 12.566 0.1 . 1 . . . A 3 ILE CD1 . 25050 1
23 . 1 1 4 4 ALA H H 1 7.989 0.01 . 1 . . . A 4 ALA H . 25050 1
24 . 1 1 4 4 ALA HA H 1 3.969 0.01 . 1 . . . A 4 ALA HA . 25050 1
25 . 1 1 4 4 ALA HB1 H 1 1.354 0.01 . 1 . . . A 4 ALA HB1 . 25050 1
26 . 1 1 4 4 ALA HB2 H 1 1.354 0.01 . 1 . . . A 4 ALA HB2 . 25050 1
27 . 1 1 4 4 ALA HB3 H 1 1.354 0.01 . 1 . . . A 4 ALA HB3 . 25050 1
28 . 1 1 4 4 ALA CA C 13 50.824 0.1 . 1 . . . A 4 ALA CA . 25050 1
29 . 1 1 4 4 ALA CB C 13 20.002 0.1 . 1 . . . A 4 ALA CB . 25050 1
30 . 1 1 5 5 LYS H H 1 7.690 0.01 . 1 . . . A 5 LYS H . 25050 1
31 . 1 1 5 5 LYS HA H 1 3.738 0.01 . 1 . . . A 5 LYS HA . 25050 1
32 . 1 1 5 5 LYS HB2 H 1 1.627 0.01 . 1 . . . A 5 LYS HB2 . 25050 1
33 . 1 1 5 5 LYS HB3 H 1 1.627 0.01 . 1 . . . A 5 LYS HB3 . 25050 1
34 . 1 1 5 5 LYS HG2 H 1 1.390 0.01 . 1 . . . A 5 LYS HG2 . 25050 1
35 . 1 1 5 5 LYS HG3 H 1 1.390 0.01 . 1 . . . A 5 LYS HG3 . 25050 1
36 . 1 1 5 5 LYS HD2 H 1 1.700 0.01 . 2 . . . A 5 LYS HD2 . 25050 1
37 . 1 1 5 5 LYS HD3 H 1 1.641 0.01 . 2 . . . A 5 LYS HD3 . 25050 1
38 . 1 1 5 5 LYS HE2 H 1 2.996 0.01 . 1 . . . A 5 LYS HE2 . 25050 1
39 . 1 1 5 5 LYS HE3 H 1 2.996 0.01 . 1 . . . A 5 LYS HE3 . 25050 1
40 . 1 1 5 5 LYS CA C 13 57.064 0.1 . 1 . . . A 5 LYS CA . 25050 1
41 . 1 1 5 5 LYS CB C 13 32.180 0.1 . 1 . . . A 5 LYS CB . 25050 1
42 . 1 1 5 5 LYS CG C 13 24.185 0.1 . 1 . . . A 5 LYS CG . 25050 1
43 . 1 1 5 5 LYS CD C 13 28.994 0.1 . 1 . . . A 5 LYS CD . 25050 1
44 . 1 1 5 5 LYS CE C 13 41.643 0.1 . 1 . . . A 5 LYS CE . 25050 1
45 . 1 1 6 6 ASN H H 1 9.818 0.01 . 1 . . . A 6 ASN H . 25050 1
46 . 1 1 6 6 ASN HA H 1 4.151 0.01 . 1 . . . A 6 ASN HA . 25050 1
47 . 1 1 6 6 ASN HB2 H 1 3.235 0.01 . 2 . . . A 6 ASN HB2 . 25050 1
48 . 1 1 6 6 ASN HB3 H 1 2.928 0.01 . 2 . . . A 6 ASN HB3 . 25050 1
49 . 1 1 6 6 ASN HD21 H 1 7.510 0.01 . 2 . . . A 6 ASN HD21 . 25050 1
50 . 1 1 6 6 ASN HD22 H 1 6.827 0.01 . 2 . . . A 6 ASN HD22 . 25050 1
51 . 1 1 6 6 ASN CA C 13 54.899 0.1 . 1 . . . A 6 ASN CA . 25050 1
52 . 1 1 6 6 ASN CB C 13 36.680 0.1 . 1 . . . A 6 ASN CB . 25050 1
53 . 1 1 7 7 LYS H H 1 7.801 0.01 . 1 . . . A 7 LYS H . 25050 1
54 . 1 1 7 7 LYS HA H 1 4.507 0.01 . 1 . . . A 7 LYS HA . 25050 1
55 . 1 1 7 7 LYS HB2 H 1 2.091 0.01 . 2 . . . A 7 LYS HB2 . 25050 1
56 . 1 1 7 7 LYS HB3 H 1 1.762 0.01 . 2 . . . A 7 LYS HB3 . 25050 1
57 . 1 1 7 7 LYS HG2 H 1 1.402 0.01 . 2 . . . A 7 LYS HG2 . 25050 1
58 . 1 1 7 7 LYS HG3 H 1 1.229 0.01 . 2 . . . A 7 LYS HG3 . 25050 1
59 . 1 1 7 7 LYS HD2 H 1 1.646 0.01 . 1 . . . A 7 LYS HD2 . 25050 1
60 . 1 1 7 7 LYS HD3 H 1 1.646 0.01 . 1 . . . A 7 LYS HD3 . 25050 1
61 . 1 1 7 7 LYS CB C 13 32.089 0.1 . 1 . . . A 7 LYS CB . 25050 1
62 . 1 1 7 7 LYS CG C 13 24.370 0.1 . 1 . . . A 7 LYS CG . 25050 1
63 . 1 1 7 7 LYS CD C 13 27.730 0.1 . 1 . . . A 7 LYS CD . 25050 1
64 . 1 1 8 8 GLU H H 1 8.370 0.01 . 1 . . . A 8 GLU H . 25050 1
65 . 1 1 8 8 GLU HA H 1 4.699 0.01 . 1 . . . A 8 GLU HA . 25050 1
66 . 1 1 8 8 GLU HB2 H 1 2.296 0.01 . 2 . . . A 8 GLU HB2 . 25050 1
67 . 1 1 8 8 GLU HB3 H 1 2.390 0.01 . 2 . . . A 8 GLU HB3 . 25050 1
68 . 1 1 8 8 GLU HG2 H 1 1.903 0.01 . 2 . . . A 8 GLU HG2 . 25050 1
69 . 1 1 8 8 GLU HG3 H 1 1.934 0.01 . 2 . . . A 8 GLU HG3 . 25050 1
70 . 1 1 8 8 GLU CB C 13 36.344 0.1 . 1 . . . A 8 GLU CB . 25050 1
71 . 1 1 8 8 GLU CG C 13 29.718 0.1 . 1 . . . A 8 GLU CG . 25050 1
72 . 1 1 9 9 CYS H H 1 8.157 0.01 . 1 . . . A 9 CYS H . 25050 1
73 . 1 1 9 9 CYS HA H 1 4.870 0.01 . 1 . . . A 9 CYS HA . 25050 1
74 . 1 1 9 9 CYS HB2 H 1 3.166 0.01 . 1 . . . A 9 CYS HB2 . 25050 1
75 . 1 1 9 9 CYS HB3 H 1 3.166 0.01 . 1 . . . A 9 CYS HB3 . 25050 1
76 . 1 1 9 9 CYS CA C 13 53.222 0.1 . 1 . . . A 9 CYS CA . 25050 1
77 . 1 1 9 9 CYS CB C 13 47.025 0.1 . 1 . . . A 9 CYS CB . 25050 1
78 . 1 1 10 10 ALA H H 1 8.169 0.01 . 1 . . . A 10 ALA H . 25050 1
79 . 1 1 10 10 ALA HA H 1 4.219 0.01 . 1 . . . A 10 ALA HA . 25050 1
80 . 1 1 10 10 ALA HB1 H 1 1.213 0.01 . 1 . . . A 10 ALA HB1 . 25050 1
81 . 1 1 10 10 ALA HB2 H 1 1.213 0.01 . 1 . . . A 10 ALA HB2 . 25050 1
82 . 1 1 10 10 ALA HB3 H 1 1.213 0.01 . 1 . . . A 10 ALA HB3 . 25050 1
83 . 1 1 10 10 ALA CA C 13 51.034 0.1 . 1 . . . A 10 ALA CA . 25050 1
84 . 1 1 10 10 ALA CB C 13 20.222 0.1 . 1 . . . A 10 ALA CB . 25050 1
85 . 1 1 11 11 TRP H H 1 8.070 0.01 . 1 . . . A 11 TRP H . 25050 1
86 . 1 1 11 11 TRP HA H 1 4.592 0.01 . 1 . . . A 11 TRP HA . 25050 1
87 . 1 1 11 11 TRP HB2 H 1 2.925 0.01 . 1 . . . A 11 TRP HB2 . 25050 1
88 . 1 1 11 11 TRP HB3 H 1 2.731 0.01 . 1 . . . A 11 TRP HB3 . 25050 1
89 . 1 1 11 11 TRP HD1 H 1 6.904 0.01 . 1 . . . A 11 TRP HD1 . 25050 1
90 . 1 1 11 11 TRP HE1 H 1 9.906 0.01 . 1 . . . A 11 TRP HE1 . 25050 1
91 . 1 1 11 11 TRP HE3 H 1 7.530 0.01 . 1 . . . A 11 TRP HE3 . 25050 1
92 . 1 1 11 11 TRP HZ2 H 1 7.484 0.01 . 1 . . . A 11 TRP HZ2 . 25050 1
93 . 1 1 11 11 TRP HZ3 H 1 7.224 0.01 . 1 . . . A 11 TRP HZ3 . 25050 1
94 . 1 1 11 11 TRP HH2 H 1 7.138 0.01 . 1 . . . A 11 TRP HH2 . 25050 1
95 . 1 1 11 11 TRP CB C 13 28.323 0.1 . 1 . . . A 11 TRP CB . 25050 1
96 . 1 1 11 11 TRP CZ2 C 13 121.201 0.1 . 1 . . . A 11 TRP CZ2 . 25050 1
97 . 1 1 11 11 TRP CZ3 C 13 123.903 0.1 . 1 . . . A 11 TRP CZ3 . 25050 1
98 . 1 1 12 12 PHE H H 1 8.019 0.01 . 1 . . . A 12 PHE H . 25050 1
99 . 1 1 12 12 PHE HA H 1 4.511 0.01 . 1 . . . A 12 PHE HA . 25050 1
100 . 1 1 12 12 PHE HB2 H 1 3.087 0.01 . 2 . . . A 12 PHE HB2 . 25050 1
101 . 1 1 12 12 PHE HB3 H 1 2.973 0.01 . 2 . . . A 12 PHE HB3 . 25050 1
102 . 1 1 12 12 PHE HD1 H 1 7.127 0.01 . 1 . . . A 12 PHE HD1 . 25050 1
103 . 1 1 12 12 PHE HD2 H 1 7.127 0.01 . 1 . . . A 12 PHE HD2 . 25050 1
104 . 1 1 12 12 PHE HE1 H 1 7.259 0.01 . 1 . . . A 12 PHE HE1 . 25050 1
105 . 1 1 12 12 PHE HE2 H 1 7.259 0.01 . 1 . . . A 12 PHE HE2 . 25050 1
106 . 1 1 12 12 PHE HZ H 1 7.221 0.01 . 1 . . . A 12 PHE HZ . 25050 1
107 . 1 1 12 12 PHE CB C 13 37.701 0.1 . 1 . . . A 12 PHE CB . 25050 1
108 . 1 1 13 13 SER H H 1 7.860 0.01 . 1 . . . A 13 SER H . 25050 1
109 . 1 1 13 13 SER HA H 1 4.366 0.01 . 1 . . . A 13 SER HA . 25050 1
110 . 1 1 13 13 SER HB2 H 1 3.807 0.01 . 2 . . . A 13 SER HB2 . 25050 1
111 . 1 1 13 13 SER HB3 H 1 3.655 0.01 . 2 . . . A 13 SER HB3 . 25050 1
112 . 1 1 13 13 SER CB C 13 63.656 0.1 . 1 . . . A 13 SER CB . 25050 1
113 . 1 1 14 14 GLY H H 1 7.866 0.01 . 1 . . . A 14 GLY H . 25050 1
114 . 1 1 14 14 GLY HA2 H 1 3.643 0.01 . 1 . . . A 14 GLY HA2 . 25050 1
115 . 1 1 14 14 GLY HA3 H 1 3.998 0.01 . 1 . . . A 14 GLY HA3 . 25050 1
116 . 1 1 14 14 GLY CA C 13 44.585 0.1 . 1 . . . A 14 GLY CA . 25050 1
117 . 1 1 15 15 GLU H H 1 7.719 0.01 . 1 . . . A 15 GLU H . 25050 1
118 . 1 1 15 15 GLU HA H 1 4.305 0.01 . 1 . . . A 15 GLU HA . 25050 1
119 . 1 1 15 15 GLU HB2 H 1 1.898 0.01 . 2 . . . A 15 GLU HB2 . 25050 1
120 . 1 1 15 15 GLU HB3 H 1 1.730 0.01 . 2 . . . A 15 GLU HB3 . 25050 1
121 . 1 1 15 15 GLU HG2 H 1 2.076 0.01 . 2 . . . A 15 GLU HG2 . 25050 1
122 . 1 1 15 15 GLU HG3 H 1 2.143 0.01 . 2 . . . A 15 GLU HG3 . 25050 1
123 . 1 1 15 15 GLU CA C 13 54.899 0.1 . 1 . . . A 15 GLU CA . 25050 1
124 . 1 1 15 15 GLU CB C 13 30.697 0.1 . 1 . . . A 15 GLU CB . 25050 1
125 . 1 1 15 15 GLU CG C 13 35.385 0.1 . 1 . . . A 15 GLU CG . 25050 1
126 . 1 1 16 16 TRP H H 1 8.423 0.01 . 1 . . . A 16 TRP H . 25050 1
127 . 1 1 16 16 TRP HA H 1 4.927 0.01 . 1 . . . A 16 TRP HA . 25050 1
128 . 1 1 16 16 TRP HB2 H 1 3.084 0.01 . 1 . . . A 16 TRP HB2 . 25050 1
129 . 1 1 16 16 TRP HB3 H 1 3.447 0.01 . 1 . . . A 16 TRP HB3 . 25050 1
130 . 1 1 16 16 TRP HD1 H 1 7.258 0.01 . 1 . . . A 16 TRP HD1 . 25050 1
131 . 1 1 16 16 TRP HE1 H 1 10.029 0.01 . 1 . . . A 16 TRP HE1 . 25050 1
132 . 1 1 16 16 TRP HE3 H 1 7.723 0.01 . 1 . . . A 16 TRP HE3 . 25050 1
133 . 1 1 16 16 TRP HZ2 H 1 7.451 0.01 . 1 . . . A 16 TRP HZ2 . 25050 1
134 . 1 1 16 16 TRP HZ3 H 1 7.180 0.01 . 1 . . . A 16 TRP HZ3 . 25050 1
135 . 1 1 16 16 TRP HH2 H 1 7.107 0.01 . 1 . . . A 16 TRP HH2 . 25050 1
136 . 1 1 16 16 TRP CA C 13 54.769 0.1 . 1 . . . A 16 TRP CA . 25050 1
137 . 1 1 16 16 TRP CB C 13 30.442 0.1 . 1 . . . A 16 TRP CB . 25050 1
138 . 1 1 16 16 TRP CZ3 C 13 131.414 0.1 . 1 . . . A 16 TRP CZ3 . 25050 1
139 . 1 1 17 17 CYS H H 1 8.749 0.01 . 1 . . . A 17 CYS H . 25050 1
140 . 1 1 17 17 CYS HA H 1 5.056 0.01 . 1 . . . A 17 CYS HA . 25050 1
141 . 1 1 17 17 CYS HB2 H 1 2.560 0.01 . 1 . . . A 17 CYS HB2 . 25050 1
142 . 1 1 17 17 CYS HB3 H 1 2.933 0.01 . 1 . . . A 17 CYS HB3 . 25050 1
143 . 1 1 17 17 CYS CA C 13 54.656 0.1 . 1 . . . A 17 CYS CA . 25050 1
144 . 1 1 17 17 CYS CB C 13 38.961 0.1 . 1 . . . A 17 CYS CB . 25050 1
145 . 1 1 18 18 CYS H H 1 9.360 0.01 . 1 . . . A 18 CYS H . 25050 1
146 . 1 1 18 18 CYS HA H 1 4.486 0.01 . 1 . . . A 18 CYS HA . 25050 1
147 . 1 1 18 18 CYS HB2 H 1 2.520 0.01 . 1 . . . A 18 CYS HB2 . 25050 1
148 . 1 1 18 18 CYS HB3 H 1 3.244 0.01 . 1 . . . A 18 CYS HB3 . 25050 1
149 . 1 1 18 18 CYS CB C 13 40.878 0.1 . 1 . . . A 18 CYS CB . 25050 1
150 . 1 1 19 19 GLY H H 1 8.577 0.01 . 1 . . . A 19 GLY H . 25050 1
151 . 1 1 19 19 GLY HA2 H 1 3.735 0.01 . 1 . . . A 19 GLY HA2 . 25050 1
152 . 1 1 19 19 GLY HA3 H 1 3.687 0.01 . 1 . . . A 19 GLY HA3 . 25050 1
153 . 1 1 19 19 GLY CA C 13 46.925 0.1 . 1 . . . A 19 GLY CA . 25050 1
154 . 1 1 20 20 ALA H H 1 8.625 0.01 . 1 . . . A 20 ALA H . 25050 1
155 . 1 1 20 20 ALA HA H 1 4.445 0.01 . 1 . . . A 20 ALA HA . 25050 1
156 . 1 1 20 20 ALA HB1 H 1 1.376 0.01 . 1 . . . A 20 ALA HB1 . 25050 1
157 . 1 1 20 20 ALA HB2 H 1 1.376 0.01 . 1 . . . A 20 ALA HB2 . 25050 1
158 . 1 1 20 20 ALA HB3 H 1 1.376 0.01 . 1 . . . A 20 ALA HB3 . 25050 1
159 . 1 1 20 20 ALA CB C 13 17.578 0.1 . 1 . . . A 20 ALA CB . 25050 1
160 . 1 1 21 21 LEU H H 1 7.637 0.01 . 1 . . . A 21 LEU H . 25050 1
161 . 1 1 21 21 LEU HA H 1 4.368 0.01 . 1 . . . A 21 LEU HA . 25050 1
162 . 1 1 21 21 LEU HB2 H 1 1.956 0.01 . 2 . . . A 21 LEU HB2 . 25050 1
163 . 1 1 21 21 LEU HB3 H 1 1.308 0.01 . 2 . . . A 21 LEU HB3 . 25050 1
164 . 1 1 21 21 LEU HG H 1 1.749 0.01 . 1 . . . A 21 LEU HG . 25050 1
165 . 1 1 21 21 LEU HD11 H 1 0.823 0.01 . 1 . . . A 21 LEU HD11 . 25050 1
166 . 1 1 21 21 LEU HD12 H 1 0.823 0.01 . 1 . . . A 21 LEU HD12 . 25050 1
167 . 1 1 21 21 LEU HD13 H 1 0.823 0.01 . 1 . . . A 21 LEU HD13 . 25050 1
168 . 1 1 21 21 LEU HD21 H 1 0.745 0.01 . 1 . . . A 21 LEU HD21 . 25050 1
169 . 1 1 21 21 LEU HD22 H 1 0.745 0.01 . 1 . . . A 21 LEU HD22 . 25050 1
170 . 1 1 21 21 LEU HD23 H 1 0.745 0.01 . 1 . . . A 21 LEU HD23 . 25050 1
171 . 1 1 21 21 LEU CB C 13 42.127 0.1 . 1 . . . A 21 LEU CB . 25050 1
172 . 1 1 21 21 LEU CG C 13 26.331 0.1 . 1 . . . A 21 LEU CG . 25050 1
173 . 1 1 21 21 LEU CD1 C 13 24.055 0.1 . 1 . . . A 21 LEU CD1 . 25050 1
174 . 1 1 21 21 LEU CD2 C 13 22.035 0.1 . 1 . . . A 21 LEU CD2 . 25050 1
175 . 1 1 22 22 SER H H 1 9.351 0.01 . 1 . . . A 22 SER H . 25050 1
176 . 1 1 22 22 SER HA H 1 4.712 0.01 . 1 . . . A 22 SER HA . 25050 1
177 . 1 1 22 22 SER HB2 H 1 3.720 0.01 . 2 . . . A 22 SER HB2 . 25050 1
178 . 1 1 22 22 SER HB3 H 1 3.659 0.01 . 2 . . . A 22 SER HB3 . 25050 1
179 . 1 1 22 22 SER CB C 13 65.549 0.1 . 1 . . . A 22 SER CB . 25050 1
180 . 1 1 23 23 CYS H H 1 8.690 0.01 . 1 . . . A 23 CYS H . 25050 1
181 . 1 1 23 23 CYS HA H 1 4.888 0.01 . 1 . . . A 23 CYS HA . 25050 1
182 . 1 1 23 23 CYS HB2 H 1 3.016 0.01 . 1 . . . A 23 CYS HB2 . 25050 1
183 . 1 1 23 23 CYS HB3 H 1 3.016 0.01 . 1 . . . A 23 CYS HB3 . 25050 1
184 . 1 1 23 23 CYS CA C 13 54.909 0.1 . 1 . . . A 23 CYS CA . 25050 1
185 . 1 1 23 23 CYS CB C 13 39.453 0.1 . 1 . . . A 23 CYS CB . 25050 1
186 . 1 1 24 24 LYS H H 1 9.202 0.01 . 1 . . . A 24 LYS H . 25050 1
187 . 1 1 24 24 LYS HA H 1 4.868 0.01 . 1 . . . A 24 LYS HA . 25050 1
188 . 1 1 24 24 LYS HB2 H 1 1.673 0.01 . 1 . . . A 24 LYS HB2 . 25050 1
189 . 1 1 24 24 LYS HB3 H 1 1.825 0.01 . 1 . . . A 24 LYS HB3 . 25050 1
190 . 1 1 24 24 LYS HG2 H 1 1.355 0.01 . 1 . . . A 24 LYS HG2 . 25050 1
191 . 1 1 24 24 LYS HG3 H 1 1.355 0.01 . 1 . . . A 24 LYS HG3 . 25050 1
192 . 1 1 24 24 LYS HD2 H 1 1.622 0.01 . 1 . . . A 24 LYS HD2 . 25050 1
193 . 1 1 24 24 LYS HD3 H 1 1.622 0.01 . 1 . . . A 24 LYS HD3 . 25050 1
194 . 1 1 24 24 LYS HE2 H 1 2.968 0.01 . 1 . . . A 24 LYS HE2 . 25050 1
195 . 1 1 24 24 LYS HE3 H 1 2.968 0.01 . 1 . . . A 24 LYS HE3 . 25050 1
196 . 1 1 24 24 LYS CA C 13 54.213 0.1 . 1 . . . A 24 LYS CA . 25050 1
197 . 1 1 24 24 LYS CB C 13 36.333 0.1 . 1 . . . A 24 LYS CB . 25050 1
198 . 1 1 24 24 LYS CG C 13 24.118 0.1 . 1 . . . A 24 LYS CG . 25050 1
199 . 1 1 24 24 LYS CD C 13 28.018 0.1 . 1 . . . A 24 LYS CD . 25050 1
200 . 1 1 24 24 LYS CE C 13 41.636 0.1 . 1 . . . A 24 LYS CE . 25050 1
201 . 1 1 25 25 TYR H H 1 8.912 0.01 . 1 . . . A 25 TYR H . 25050 1
202 . 1 1 25 25 TYR HA H 1 4.167 0.01 . 1 . . . A 25 TYR HA . 25050 1
203 . 1 1 25 25 TYR HB2 H 1 2.828 0.01 . 1 . . . A 25 TYR HB2 . 25050 1
204 . 1 1 25 25 TYR HB3 H 1 2.828 0.01 . 1 . . . A 25 TYR HB3 . 25050 1
205 . 1 1 25 25 TYR HD1 H 1 6.796 0.01 . 1 . . . A 25 TYR HD1 . 25050 1
206 . 1 1 25 25 TYR HD2 H 1 6.796 0.01 . 1 . . . A 25 TYR HD2 . 25050 1
207 . 1 1 25 25 TYR HE1 H 1 6.595 0.01 . 1 . . . A 25 TYR HE1 . 25050 1
208 . 1 1 25 25 TYR HE2 H 1 6.595 0.01 . 1 . . . A 25 TYR HE2 . 25050 1
209 . 1 1 25 25 TYR CA C 13 59.208 0.1 . 1 . . . A 25 TYR CA . 25050 1
210 . 1 1 25 25 TYR CB C 13 37.979 0.1 . 1 . . . A 25 TYR CB . 25050 1
211 . 1 1 26 26 SER H H 1 8.099 0.01 . 1 . . . A 26 SER H . 25050 1
212 . 1 1 26 26 SER HA H 1 4.597 0.01 . 1 . . . A 26 SER HA . 25050 1
213 . 1 1 26 26 SER HB2 H 1 3.645 0.01 . 1 . . . A 26 SER HB2 . 25050 1
214 . 1 1 26 26 SER HB3 H 1 3.751 0.01 . 1 . . . A 26 SER HB3 . 25050 1
215 . 1 1 26 26 SER CB C 13 63.103 0.1 . 1 . . . A 26 SER CB . 25050 1
216 . 1 1 27 27 ILE H H 1 8.475 0.01 . 1 . . . A 27 ILE H . 25050 1
217 . 1 1 27 27 ILE HA H 1 3.795 0.01 . 1 . . . A 27 ILE HA . 25050 1
218 . 1 1 27 27 ILE HB H 1 1.844 0.01 . 1 . . . A 27 ILE HB . 25050 1
219 . 1 1 27 27 ILE HG12 H 1 1.656 0.01 . 2 . . . A 27 ILE HG12 . 25050 1
220 . 1 1 27 27 ILE HG13 H 1 1.308 0.01 . 2 . . . A 27 ILE HG13 . 25050 1
221 . 1 1 27 27 ILE HG21 H 1 0.967 0.01 . 1 . . . A 27 ILE HG21 . 25050 1
222 . 1 1 27 27 ILE HG22 H 1 0.967 0.01 . 1 . . . A 27 ILE HG22 . 25050 1
223 . 1 1 27 27 ILE HG23 H 1 0.967 0.01 . 1 . . . A 27 ILE HG23 . 25050 1
224 . 1 1 27 27 ILE HD11 H 1 0.994 0.01 . 1 . . . A 27 ILE HD11 . 25050 1
225 . 1 1 27 27 ILE HD12 H 1 0.994 0.01 . 1 . . . A 27 ILE HD12 . 25050 1
226 . 1 1 27 27 ILE HD13 H 1 0.994 0.01 . 1 . . . A 27 ILE HD13 . 25050 1
227 . 1 1 27 27 ILE CB C 13 37.740 0.1 . 1 . . . A 27 ILE CB . 25050 1
228 . 1 1 27 27 ILE CG1 C 13 28.179 0.1 . 1 . . . A 27 ILE CG1 . 25050 1
229 . 1 1 27 27 ILE CG2 C 13 16.499 0.1 . 1 . . . A 27 ILE CG2 . 25050 1
230 . 1 1 27 27 ILE CD1 C 13 13.182 0.1 . 1 . . . A 27 ILE CD1 . 25050 1
231 . 1 1 28 28 LYS H H 1 7.774 0.01 . 1 . . . A 28 LYS H . 25050 1
232 . 1 1 28 28 LYS HA H 1 4.040 0.01 . 1 . . . A 28 LYS HA . 25050 1
233 . 1 1 28 28 LYS HB2 H 1 1.662 0.01 . 1 . . . A 28 LYS HB2 . 25050 1
234 . 1 1 28 28 LYS HB3 H 1 1.662 0.01 . 1 . . . A 28 LYS HB3 . 25050 1
235 . 1 1 28 28 LYS HG2 H 1 1.417 0.01 . 2 . . . A 28 LYS HG2 . 25050 1
236 . 1 1 28 28 LYS HG3 H 1 1.343 0.01 . 2 . . . A 28 LYS HG3 . 25050 1
237 . 1 1 28 28 LYS HD2 H 1 1.625 0.01 . 2 . . . A 28 LYS HD2 . 25050 1
238 . 1 1 28 28 LYS HD3 H 1 1.669 0.01 . 2 . . . A 28 LYS HD3 . 25050 1
239 . 1 1 28 28 LYS HE2 H 1 2.939 0.01 . 1 . . . A 28 LYS HE2 . 25050 1
240 . 1 1 28 28 LYS HE3 H 1 2.939 0.01 . 1 . . . A 28 LYS HE3 . 25050 1
241 . 1 1 28 28 LYS CA C 13 57.634 0.1 . 1 . . . A 28 LYS CA . 25050 1
242 . 1 1 28 28 LYS CB C 13 31.955 0.1 . 1 . . . A 28 LYS CB . 25050 1
243 . 1 1 28 28 LYS CG C 13 24.444 0.1 . 1 . . . A 28 LYS CG . 25050 1
244 . 1 1 28 28 LYS CD C 13 28.608 0.1 . 1 . . . A 28 LYS CD . 25050 1
245 . 1 1 28 28 LYS CE C 13 41.488 0.1 . 1 . . . A 28 LYS CE . 25050 1
246 . 1 1 29 29 ARG H H 1 7.301 0.01 . 1 . . . A 29 ARG H . 25050 1
247 . 1 1 29 29 ARG HA H 1 4.195 0.01 . 1 . . . A 29 ARG HA . 25050 1
248 . 1 1 29 29 ARG HB2 H 1 1.300 0.01 . 2 . . . A 29 ARG HB2 . 25050 1
249 . 1 1 29 29 ARG HB3 H 1 1.862 0.01 . 2 . . . A 29 ARG HB3 . 25050 1
250 . 1 1 29 29 ARG HG2 H 1 1.448 0.01 . 2 . . . A 29 ARG HG2 . 25050 1
251 . 1 1 29 29 ARG HG3 H 1 1.590 0.01 . 2 . . . A 29 ARG HG3 . 25050 1
252 . 1 1 29 29 ARG HD2 H 1 3.130 0.01 . 2 . . . A 29 ARG HD2 . 25050 1
253 . 1 1 29 29 ARG HD3 H 1 3.009 0.01 . 2 . . . A 29 ARG HD3 . 25050 1
254 . 1 1 29 29 ARG CB C 13 30.228 0.1 . 1 . . . A 29 ARG CB . 25050 1
255 . 1 1 29 29 ARG CG C 13 26.040 0.1 . 1 . . . A 29 ARG CG . 25050 1
256 . 1 1 29 29 ARG CD C 13 41.788 0.1 . 1 . . . A 29 ARG CD . 25050 1
257 . 1 1 30 30 ASN H H 1 8.223 0.01 . 1 . . . A 30 ASN H . 25050 1
258 . 1 1 30 30 ASN HA H 1 4.192 0.01 . 1 . . . A 30 ASN HA . 25050 1
259 . 1 1 30 30 ASN HB2 H 1 3.226 0.01 . 2 . . . A 30 ASN HB2 . 25050 1
260 . 1 1 30 30 ASN HB3 H 1 2.636 0.01 . 2 . . . A 30 ASN HB3 . 25050 1
261 . 1 1 30 30 ASN HD21 H 1 7.587 0.01 . 2 . . . A 30 ASN HD21 . 25050 1
262 . 1 1 30 30 ASN HD22 H 1 6.905 0.01 . 2 . . . A 30 ASN HD22 . 25050 1
263 . 1 1 30 30 ASN CA C 13 54.629 0.1 . 1 . . . A 30 ASN CA . 25050 1
264 . 1 1 30 30 ASN CB C 13 36.462 0.1 . 1 . . . A 30 ASN CB . 25050 1
265 . 1 1 31 31 LEU H H 1 7.075 0.01 . 1 . . . A 31 LEU H . 25050 1
266 . 1 1 31 31 LEU HA H 1 4.559 0.01 . 1 . . . A 31 LEU HA . 25050 1
267 . 1 1 31 31 LEU HB2 H 1 1.271 0.01 . 1 . . . A 31 LEU HB2 . 25050 1
268 . 1 1 31 31 LEU HB3 H 1 1.624 0.01 . 1 . . . A 31 LEU HB3 . 25050 1
269 . 1 1 31 31 LEU HG H 1 1.576 0.01 . 1 . . . A 31 LEU HG . 25050 1
270 . 1 1 31 31 LEU HD11 H 1 0.824 0.01 . 2 . . . A 31 LEU HD11 . 25050 1
271 . 1 1 31 31 LEU HD12 H 1 0.824 0.01 . 2 . . . A 31 LEU HD12 . 25050 1
272 . 1 1 31 31 LEU HD13 H 1 0.824 0.01 . 2 . . . A 31 LEU HD13 . 25050 1
273 . 1 1 31 31 LEU HD21 H 1 0.718 0.01 . 2 . . . A 31 LEU HD21 . 25050 1
274 . 1 1 31 31 LEU HD22 H 1 0.718 0.01 . 2 . . . A 31 LEU HD22 . 25050 1
275 . 1 1 31 31 LEU HD23 H 1 0.718 0.01 . 2 . . . A 31 LEU HD23 . 25050 1
276 . 1 1 31 31 LEU CB C 13 46.311 0.1 . 1 . . . A 31 LEU CB . 25050 1
277 . 1 1 31 31 LEU CG C 13 25.083 0.1 . 1 . . . A 31 LEU CG . 25050 1
278 . 1 1 31 31 LEU CD1 C 13 25.536 0.1 . 1 . . . A 31 LEU CD1 . 25050 1
279 . 1 1 31 31 LEU CD2 C 13 24.371 0.1 . 1 . . . A 31 LEU CD2 . 25050 1
280 . 1 1 32 32 LYS H H 1 8.248 0.01 . 1 . . . A 32 LYS H . 25050 1
281 . 1 1 32 32 LYS HA H 1 4.734 0.01 . 1 . . . A 32 LYS HA . 25050 1
282 . 1 1 32 32 LYS HB2 H 1 1.489 0.01 . 2 . . . A 32 LYS HB2 . 25050 1
283 . 1 1 32 32 LYS HB3 H 1 1.667 0.01 . 2 . . . A 32 LYS HB3 . 25050 1
284 . 1 1 32 32 LYS HG2 H 1 1.163 0.01 . 2 . . . A 32 LYS HG2 . 25050 1
285 . 1 1 32 32 LYS HG3 H 1 0.986 0.01 . 2 . . . A 32 LYS HG3 . 25050 1
286 . 1 1 32 32 LYS HD2 H 1 1.430 0.01 . 1 . . . A 32 LYS HD2 . 25050 1
287 . 1 1 32 32 LYS HE2 H 1 2.318 0.01 . 1 . . . A 32 LYS HE2 . 25050 1
288 . 1 1 32 32 LYS HE3 H 1 2.318 0.01 . 1 . . . A 32 LYS HE3 . 25050 1
289 . 1 1 32 32 LYS CB C 13 31.938 0.1 . 1 . . . A 32 LYS CB . 25050 1
290 . 1 1 32 32 LYS CG C 13 28.693 0.1 . 1 . . . A 32 LYS CG . 25050 1
291 . 1 1 32 32 LYS CD C 13 31.942 0.1 . 1 . . . A 32 LYS CD . 25050 1
292 . 1 1 32 32 LYS CE C 13 41.009 0.1 . 1 . . . A 32 LYS CE . 25050 1
293 . 1 1 33 33 ILE H H 1 8.480 0.01 . 1 . . . A 33 ILE H . 25050 1
294 . 1 1 33 33 ILE HA H 1 4.992 0.01 . 1 . . . A 33 ILE HA . 25050 1
295 . 1 1 33 33 ILE HG12 H 1 1.316 0.01 . 1 . . . A 33 ILE HG12 . 25050 1
296 . 1 1 33 33 ILE HG13 H 1 1.316 0.01 . 1 . . . A 33 ILE HG13 . 25050 1
297 . 1 1 33 33 ILE HG21 H 1 0.528 0.01 . 1 . . . A 33 ILE HG21 . 25050 1
298 . 1 1 33 33 ILE HG22 H 1 0.528 0.01 . 1 . . . A 33 ILE HG22 . 25050 1
299 . 1 1 33 33 ILE HG23 H 1 0.528 0.01 . 1 . . . A 33 ILE HG23 . 25050 1
300 . 1 1 33 33 ILE HD11 H 1 0.727 0.01 . 1 . . . A 33 ILE HD11 . 25050 1
301 . 1 1 33 33 ILE HD12 H 1 0.727 0.01 . 1 . . . A 33 ILE HD12 . 25050 1
302 . 1 1 33 33 ILE HD13 H 1 0.727 0.01 . 1 . . . A 33 ILE HD13 . 25050 1
303 . 1 1 33 33 ILE CA C 13 58.504 0.1 . 1 . . . A 33 ILE CA . 25050 1
304 . 1 1 33 33 ILE CG1 C 13 28.277 0.1 . 1 . . . A 33 ILE CG1 . 25050 1
305 . 1 1 33 33 ILE CG2 C 13 17.579 0.1 . 1 . . . A 33 ILE CG2 . 25050 1
306 . 1 1 33 33 ILE CD1 C 13 13.512 0.1 . 1 . . . A 33 ILE CD1 . 25050 1
307 . 1 1 34 34 CYS H H 1 7.758 0.01 . 1 . . . A 34 CYS H . 25050 1
308 . 1 1 34 34 CYS HA H 1 5.108 0.01 . 1 . . . A 34 CYS HA . 25050 1
309 . 1 1 34 34 CYS HB2 H 1 3.012 0.01 . 2 . . . A 34 CYS HB2 . 25050 1
310 . 1 1 34 34 CYS HB3 H 1 2.599 0.01 . 2 . . . A 34 CYS HB3 . 25050 1
311 . 1 1 34 34 CYS CA C 13 54.418 0.1 . 1 . . . A 34 CYS CA . 25050 1
312 . 1 1 34 34 CYS CB C 13 39.191 0.1 . 1 . . . A 34 CYS CB . 25050 1
313 . 1 1 35 35 VAL H H 1 9.408 0.01 . 1 . . . A 35 VAL H . 25050 1
314 . 1 1 35 35 VAL HA H 1 4.354 0.01 . 1 . . . A 35 VAL HA . 25050 1
315 . 1 1 35 35 VAL HB H 1 2.195 0.01 . 1 . . . A 35 VAL HB . 25050 1
316 . 1 1 35 35 VAL HG11 H 1 0.938 0.01 . 1 . . . A 35 VAL HG11 . 25050 1
317 . 1 1 35 35 VAL HG12 H 1 0.938 0.01 . 1 . . . A 35 VAL HG12 . 25050 1
318 . 1 1 35 35 VAL HG13 H 1 0.938 0.01 . 1 . . . A 35 VAL HG13 . 25050 1
319 . 1 1 35 35 VAL HG21 H 1 0.938 0.01 . 1 . . . A 35 VAL HG21 . 25050 1
320 . 1 1 35 35 VAL HG22 H 1 0.938 0.01 . 1 . . . A 35 VAL HG22 . 25050 1
321 . 1 1 35 35 VAL HG23 H 1 0.938 0.01 . 1 . . . A 35 VAL HG23 . 25050 1
322 . 1 1 35 35 VAL CA C 13 62.445 0.1 . 1 . . . A 35 VAL CA . 25050 1
323 . 1 1 35 35 VAL CB C 13 35.083 0.1 . 1 . . . A 35 VAL CB . 25050 1
324 . 1 1 35 35 VAL CG1 C 13 21.759 0.1 . 1 . . . A 35 VAL CG1 . 25050 1
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