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 30813
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-1H TOCSY' . . . 30813 1
2 '2D 1H-1H NOESY' . . . 30813 1
3 '2D 1H-15N HSQC' . . . 30813 1
4 '2D 1H-13C HSQC aliphatic' . . . 30813 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 ALA HA H 1 4.254 0.003 . 1 . . . . A 1 ALA HA . 30813 1
2 . 1 . 1 1 1 ALA HB1 H 1 1.299 0.004 . . . . . . A 1 ALA HB1 . 30813 1
3 . 1 . 1 1 1 ALA HB2 H 1 1.299 0.004 . . . . . . A 1 ALA HB2 . 30813 1
4 . 1 . 1 1 1 ALA HB3 H 1 1.299 0.004 . . . . . . A 1 ALA HB3 . 30813 1
5 . 1 . 1 1 1 ALA CA C 13 51.821 0.000 . 1 . . . . A 1 ALA CA . 30813 1
6 . 1 . 1 1 1 ALA CB C 13 19.402 0.000 . 1 . . . . A 1 ALA CB . 30813 1
7 . 1 . 1 2 2 ILE H H 1 9.153 0.001 . 1 . . . . A 2 ILE H . 30813 1
8 . 1 . 1 2 2 ILE HA H 1 4.746 0.008 . 1 . . . . A 2 ILE HA . 30813 1
9 . 1 . 1 2 2 ILE HB H 1 1.826 0.002 . 1 . . . . A 2 ILE HB . 30813 1
10 . 1 . 1 2 2 ILE HG12 H 1 1.161 0.001 . 2 . . . . A 2 ILE HG12 . 30813 1
11 . 1 . 1 2 2 ILE HG13 H 1 1.559 0.023 . 2 . . . . A 2 ILE HG13 . 30813 1
12 . 1 . 1 2 2 ILE HG21 H 1 0.951 0.002 . . . . . . A 2 ILE HG21 . 30813 1
13 . 1 . 1 2 2 ILE HG22 H 1 0.951 0.002 . . . . . . A 2 ILE HG22 . 30813 1
14 . 1 . 1 2 2 ILE HG23 H 1 0.951 0.002 . . . . . . A 2 ILE HG23 . 30813 1
15 . 1 . 1 2 2 ILE HD11 H 1 0.885 0.003 . . . . . . A 2 ILE HD11 . 30813 1
16 . 1 . 1 2 2 ILE HD12 H 1 0.885 0.003 . . . . . . A 2 ILE HD12 . 30813 1
17 . 1 . 1 2 2 ILE HD13 H 1 0.885 0.003 . . . . . . A 2 ILE HD13 . 30813 1
18 . 1 . 1 2 2 ILE CB C 13 40.428 0.007 . 1 . . . . A 2 ILE CB . 30813 1
19 . 1 . 1 2 2 ILE CG1 C 13 27.071 0.018 . 1 . . . . A 2 ILE CG1 . 30813 1
20 . 1 . 1 2 2 ILE CG2 C 13 16.733 0.014 . 1 . . . . A 2 ILE CG2 . 30813 1
21 . 1 . 1 2 2 ILE CD1 C 13 13.299 0.007 . 1 . . . . A 2 ILE CD1 . 30813 1
22 . 1 . 1 2 2 ILE N N 15 123.080 0.000 . 1 . . . . A 2 ILE N . 30813 1
23 . 1 . 1 3 3 PRO HA H 1 4.372 0.001 . 1 . . . . A 3 PRO HA . 30813 1
24 . 1 . 1 3 3 PRO HB2 H 1 1.928 0.002 . 2 . . . . A 3 PRO HB2 . 30813 1
25 . 1 . 1 3 3 PRO HB3 H 1 2.213 0.009 . 2 . . . . A 3 PRO HB3 . 30813 1
26 . 1 . 1 3 3 PRO HG2 H 1 2.072 0.004 . 2 . . . . A 3 PRO HG2 . 30813 1
27 . 1 . 1 3 3 PRO HG3 H 1 2.199 0.009 . 2 . . . . A 3 PRO HG3 . 30813 1
28 . 1 . 1 3 3 PRO HD2 H 1 3.875 0.003 . 2 . . . . A 3 PRO HD2 . 30813 1
29 . 1 . 1 3 3 PRO HD3 H 1 4.078 0.002 . 2 . . . . A 3 PRO HD3 . 30813 1
30 . 1 . 1 3 3 PRO CA C 13 63.271 0.000 . 1 . . . . A 3 PRO CA . 30813 1
31 . 1 . 1 3 3 PRO CB C 13 32.152 0.000 . 1 . . . . A 3 PRO CB . 30813 1
32 . 1 . 1 3 3 PRO CG C 13 27.683 0.004 . 1 . . . . A 3 PRO CG . 30813 1
33 . 1 . 1 3 3 PRO CD C 13 51.301 0.000 . 1 . . . . A 3 PRO CD . 30813 1
34 . 1 . 1 4 4 CYS H H 1 8.467 0.002 . 1 . . . . A 4 CYS H . 30813 1
35 . 1 . 1 4 4 CYS HA H 1 4.629 0.003 . 1 . . . . A 4 CYS HA . 30813 1
36 . 1 . 1 4 4 CYS HB2 H 1 3.127 0.002 . 2 . . . . A 4 CYS HB2 . 30813 1
37 . 1 . 1 4 4 CYS HB3 H 1 3.127 0.002 . 2 . . . . A 4 CYS HB3 . 30813 1
38 . 1 . 1 4 4 CYS CA C 13 57.266 0.000 . 1 . . . . A 4 CYS CA . 30813 1
39 . 1 . 1 4 4 CYS CB C 13 45.026 0.000 . 1 . . . . A 4 CYS CB . 30813 1
40 . 1 . 1 4 4 CYS N N 15 118.795 0.000 . 1 . . . . A 4 CYS N . 30813 1
41 . 1 . 1 5 5 GLY H H 1 8.843 0.003 . 1 . . . . A 5 GLY H . 30813 1
42 . 1 . 1 5 5 GLY HA2 H 1 3.707 0.001 . 2 . . . . A 5 GLY HA2 . 30813 1
43 . 1 . 1 5 5 GLY HA3 H 1 4.081 0.002 . 2 . . . . A 5 GLY HA3 . 30813 1
44 . 1 . 1 5 5 GLY CA C 13 45.770 0.005 . 1 . . . . A 5 GLY CA . 30813 1
45 . 1 . 1 5 5 GLY N N 15 109.914 0.000 . 1 . . . . A 5 GLY N . 30813 1
46 . 1 . 1 6 6 GLU H H 1 7.727 0.001 . 1 . . . . A 6 GLU H . 30813 1
47 . 1 . 1 6 6 GLU HA H 1 4.621 0.004 . 1 . . . . A 6 GLU HA . 30813 1
48 . 1 . 1 6 6 GLU HB2 H 1 1.775 0.006 . 2 . . . . A 6 GLU HB2 . 30813 1
49 . 1 . 1 6 6 GLU HB3 H 1 2.080 0.014 . 2 . . . . A 6 GLU HB3 . 30813 1
50 . 1 . 1 6 6 GLU HG2 H 1 2.413 0.010 . 2 . . . . A 6 GLU HG2 . 30813 1
51 . 1 . 1 6 6 GLU HG3 H 1 2.413 0.010 . 2 . . . . A 6 GLU HG3 . 30813 1
52 . 1 . 1 6 6 GLU CA C 13 54.945 0.000 . 1 . . . . A 6 GLU CA . 30813 1
53 . 1 . 1 6 6 GLU CB C 13 31.418 0.006 . 1 . . . . A 6 GLU CB . 30813 1
54 . 1 . 1 6 6 GLU CG C 13 32.824 0.000 . 1 . . . . A 6 GLU CG . 30813 1
55 . 1 . 1 6 6 GLU N N 15 116.916 0.000 . 1 . . . . A 6 GLU N . 30813 1
56 . 1 . 1 7 7 SER H H 1 8.712 0.000 . 1 . . . . A 7 SER H . 30813 1
57 . 1 . 1 7 7 SER HA H 1 4.697 0.005 . 1 . . . . A 7 SER HA . 30813 1
58 . 1 . 1 7 7 SER HB2 H 1 3.909 0.001 . 2 . . . . A 7 SER HB2 . 30813 1
59 . 1 . 1 7 7 SER HB3 H 1 4.052 0.003 . 2 . . . . A 7 SER HB3 . 30813 1
60 . 1 . 1 7 7 SER CB C 13 64.691 0.010 . 1 . . . . A 7 SER CB . 30813 1
61 . 1 . 1 7 7 SER N N 15 117.102 0.000 . 1 . . . . A 7 SER N . 30813 1
62 . 1 . 1 8 8 CYS H H 1 8.119 0.001 . 1 . . . . A 8 CYS H . 30813 1
63 . 1 . 1 8 8 CYS HA H 1 5.463 0.003 . 1 . . . . A 8 CYS HA . 30813 1
64 . 1 . 1 8 8 CYS HB2 H 1 3.209 0.005 . 2 . . . . A 8 CYS HB2 . 30813 1
65 . 1 . 1 8 8 CYS HB3 H 1 3.312 0.002 . 2 . . . . A 8 CYS HB3 . 30813 1
66 . 1 . 1 8 8 CYS CA C 13 55.392 0.000 . 1 . . . . A 8 CYS CA . 30813 1
67 . 1 . 1 8 8 CYS CB C 13 46.002 0.000 . 1 . . . . A 8 CYS CB . 30813 1
68 . 1 . 1 8 8 CYS N N 15 120.371 0.000 . 1 . . . . A 8 CYS N . 30813 1
69 . 1 . 1 9 9 VAL H H 1 7.872 0.001 . 1 . . . . A 9 VAL H . 30813 1
70 . 1 . 1 9 9 VAL HA H 1 3.487 0.001 . 1 . . . . A 9 VAL HA . 30813 1
71 . 1 . 1 9 9 VAL HB H 1 1.647 0.005 . 1 . . . . A 9 VAL HB . 30813 1
72 . 1 . 1 9 9 VAL HG11 H 1 0.975 0.004 . . . . . . A 9 VAL HG11 . 30813 1
73 . 1 . 1 9 9 VAL HG12 H 1 0.975 0.004 . . . . . . A 9 VAL HG12 . 30813 1
74 . 1 . 1 9 9 VAL HG13 H 1 0.975 0.004 . . . . . . A 9 VAL HG13 . 30813 1
75 . 1 . 1 9 9 VAL HG21 H 1 0.298 0.001 . . . . . . A 9 VAL HG21 . 30813 1
76 . 1 . 1 9 9 VAL HG22 H 1 0.298 0.001 . . . . . . A 9 VAL HG22 . 30813 1
77 . 1 . 1 9 9 VAL HG23 H 1 0.298 0.001 . . . . . . A 9 VAL HG23 . 30813 1
78 . 1 . 1 9 9 VAL CA C 13 66.073 0.000 . 1 . . . . A 9 VAL CA . 30813 1
79 . 1 . 1 9 9 VAL CB C 13 32.170 0.000 . 1 . . . . A 9 VAL CB . 30813 1
80 . 1 . 1 9 9 VAL CG1 C 13 22.724 0.000 . 2 . . . . A 9 VAL CG1 . 30813 1
81 . 1 . 1 9 9 VAL CG2 C 13 20.471 0.000 . 2 . . . . A 9 VAL CG2 . 30813 1
82 . 1 . 1 9 9 VAL N N 15 122.009 0.000 . 1 . . . . A 9 VAL N . 30813 1
83 . 1 . 1 10 10 TYR H H 1 8.304 0.001 . 1 . . . . A 10 TYR H . 30813 1
84 . 1 . 1 10 10 TYR HA H 1 4.680 0.005 . 1 . . . . A 10 TYR HA . 30813 1
85 . 1 . 1 10 10 TYR HB2 H 1 2.782 0.001 . 2 . . . . A 10 TYR HB2 . 30813 1
86 . 1 . 1 10 10 TYR HB3 H 1 3.252 0.002 . 2 . . . . A 10 TYR HB3 . 30813 1
87 . 1 . 1 10 10 TYR HD1 H 1 7.146 0.003 . 3 . . . . A 10 TYR HD1 . 30813 1
88 . 1 . 1 10 10 TYR HD2 H 1 7.146 0.003 . 3 . . . . A 10 TYR HD2 . 30813 1
89 . 1 . 1 10 10 TYR HE1 H 1 6.836 0.002 . 3 . . . . A 10 TYR HE1 . 30813 1
90 . 1 . 1 10 10 TYR HE2 H 1 6.836 0.002 . 3 . . . . A 10 TYR HE2 . 30813 1
91 . 1 . 1 10 10 TYR CA C 13 58.157 0.000 . 1 . . . . A 10 TYR CA . 30813 1
92 . 1 . 1 10 10 TYR CB C 13 40.419 0.001 . 1 . . . . A 10 TYR CB . 30813 1
93 . 1 . 1 10 10 TYR N N 15 115.324 0.000 . 1 . . . . A 10 TYR N . 30813 1
94 . 1 . 1 11 11 ILE H H 1 7.555 0.001 . 1 . . . . A 11 ILE H . 30813 1
95 . 1 . 1 11 11 ILE HA H 1 4.689 0.003 . 1 . . . . A 11 ILE HA . 30813 1
96 . 1 . 1 11 11 ILE HB H 1 1.915 0.003 . 1 . . . . A 11 ILE HB . 30813 1
97 . 1 . 1 11 11 ILE HG12 H 1 1.081 0.003 . 2 . . . . A 11 ILE HG12 . 30813 1
98 . 1 . 1 11 11 ILE HG13 H 1 1.464 0.002 . 2 . . . . A 11 ILE HG13 . 30813 1
99 . 1 . 1 11 11 ILE HG21 H 1 0.996 0.002 . . . . . . A 11 ILE HG21 . 30813 1
100 . 1 . 1 11 11 ILE HG22 H 1 0.996 0.002 . . . . . . A 11 ILE HG22 . 30813 1
101 . 1 . 1 11 11 ILE HG23 H 1 0.996 0.002 . . . . . . A 11 ILE HG23 . 30813 1
102 . 1 . 1 11 11 ILE HD11 H 1 0.886 0.005 . . . . . . A 11 ILE HD11 . 30813 1
103 . 1 . 1 11 11 ILE HD12 H 1 0.886 0.005 . . . . . . A 11 ILE HD12 . 30813 1
104 . 1 . 1 11 11 ILE HD13 H 1 0.886 0.005 . . . . . . A 11 ILE HD13 . 30813 1
105 . 1 . 1 11 11 ILE CB C 13 40.581 0.000 . 1 . . . . A 11 ILE CB . 30813 1
106 . 1 . 1 11 11 ILE CG1 C 13 26.063 0.008 . 1 . . . . A 11 ILE CG1 . 30813 1
107 . 1 . 1 11 11 ILE CG2 C 13 17.881 0.000 . 1 . . . . A 11 ILE CG2 . 30813 1
108 . 1 . 1 11 11 ILE N N 15 117.903 0.000 . 1 . . . . A 11 ILE N . 30813 1
109 . 1 . 1 12 12 PRO HA H 1 4.442 0.003 . 1 . . . . A 12 PRO HA . 30813 1
110 . 1 . 1 12 12 PRO HB2 H 1 1.862 0.002 . 2 . . . . A 12 PRO HB2 . 30813 1
111 . 1 . 1 12 12 PRO HB3 H 1 2.371 0.002 . 2 . . . . A 12 PRO HB3 . 30813 1
112 . 1 . 1 12 12 PRO HG2 H 1 1.948 0.010 . 2 . . . . A 12 PRO HG2 . 30813 1
113 . 1 . 1 12 12 PRO HG3 H 1 1.969 0.007 . 2 . . . . A 12 PRO HG3 . 30813 1
114 . 1 . 1 12 12 PRO HD2 H 1 3.634 0.001 . 2 . . . . A 12 PRO HD2 . 30813 1
115 . 1 . 1 12 12 PRO HD3 H 1 3.766 0.002 . 2 . . . . A 12 PRO HD3 . 30813 1
116 . 1 . 1 12 12 PRO CA C 13 62.195 0.000 . 1 . . . . A 12 PRO CA . 30813 1
117 . 1 . 1 12 12 PRO CB C 13 32.533 0.003 . 1 . . . . A 12 PRO CB . 30813 1
118 . 1 . 1 12 12 PRO CG C 13 27.391 0.000 . 1 . . . . A 12 PRO CG . 30813 1
119 . 1 . 1 12 12 PRO CD C 13 50.750 0.003 . 1 . . . . A 12 PRO CD . 30813 1
120 . 1 . 1 13 13 CYS H H 1 8.436 0.000 . 1 . . . . A 13 CYS H . 30813 1
121 . 1 . 1 13 13 CYS HA H 1 4.298 0.002 . 1 . . . . A 13 CYS HA . 30813 1
122 . 1 . 1 13 13 CYS HB2 H 1 2.632 0.003 . 2 . . . . A 13 CYS HB2 . 30813 1
123 . 1 . 1 13 13 CYS HB3 H 1 2.858 0.006 . 2 . . . . A 13 CYS HB3 . 30813 1
124 . 1 . 1 13 13 CYS CA C 13 57.016 0.000 . 1 . . . . A 13 CYS CA . 30813 1
125 . 1 . 1 13 13 CYS CB C 13 40.632 0.002 . 1 . . . . A 13 CYS CB . 30813 1
126 . 1 . 1 13 13 CYS N N 15 118.157 0.000 . 1 . . . . A 13 CYS N . 30813 1
127 . 1 . 1 14 14 ILE H H 1 8.296 0.002 . 1 . . . . A 14 ILE H . 30813 1
128 . 1 . 1 14 14 ILE HA H 1 4.196 0.001 . 1 . . . . A 14 ILE HA . 30813 1
129 . 1 . 1 14 14 ILE HB H 1 1.940 0.002 . 1 . . . . A 14 ILE HB . 30813 1
130 . 1 . 1 14 14 ILE HG12 H 1 1.244 0.015 . 2 . . . . A 14 ILE HG12 . 30813 1
131 . 1 . 1 14 14 ILE HG13 H 1 1.525 0.005 . 2 . . . . A 14 ILE HG13 . 30813 1
132 . 1 . 1 14 14 ILE HG21 H 1 0.928 0.000 . . . . . . A 14 ILE HG21 . 30813 1
133 . 1 . 1 14 14 ILE HG22 H 1 0.928 0.000 . . . . . . A 14 ILE HG22 . 30813 1
134 . 1 . 1 14 14 ILE HG23 H 1 0.928 0.000 . . . . . . A 14 ILE HG23 . 30813 1
135 . 1 . 1 14 14 ILE HD11 H 1 0.953 0.004 . . . . . . A 14 ILE HD11 . 30813 1
136 . 1 . 1 14 14 ILE HD12 H 1 0.953 0.004 . . . . . . A 14 ILE HD12 . 30813 1
137 . 1 . 1 14 14 ILE HD13 H 1 0.953 0.004 . . . . . . A 14 ILE HD13 . 30813 1
138 . 1 . 1 14 14 ILE CA C 13 62.115 0.000 . 1 . . . . A 14 ILE CA . 30813 1
139 . 1 . 1 14 14 ILE CB C 13 38.464 0.047 . 1 . . . . A 14 ILE CB . 30813 1
140 . 1 . 1 14 14 ILE CG1 C 13 27.699 0.002 . 1 . . . . A 14 ILE CG1 . 30813 1
141 . 1 . 1 14 14 ILE CG2 C 13 17.593 0.023 . 1 . . . . A 14 ILE CG2 . 30813 1
142 . 1 . 1 14 14 ILE CD1 C 13 17.662 0.000 . 1 . . . . A 14 ILE CD1 . 30813 1
143 . 1 . 1 14 14 ILE N N 15 123.119 0.000 . 1 . . . . A 14 ILE N . 30813 1
144 . 1 . 1 15 15 SER H H 1 8.488 0.002 . 1 . . . . A 15 SER H . 30813 1
145 . 1 . 1 15 15 SER HA H 1 4.496 0.003 . 1 . . . . A 15 SER HA . 30813 1
146 . 1 . 1 15 15 SER HB2 H 1 3.921 0.003 . 2 . . . . A 15 SER HB2 . 30813 1
147 . 1 . 1 15 15 SER HB3 H 1 4.019 0.004 . 2 . . . . A 15 SER HB3 . 30813 1
148 . 1 . 1 15 15 SER CA C 13 58.744 0.000 . 1 . . . . A 15 SER CA . 30813 1
149 . 1 . 1 15 15 SER CB C 13 63.037 0.000 . 1 . . . . A 15 SER CB . 30813 1
150 . 1 . 1 16 16 VAL H H 1 7.790 0.000 . 1 . . . . A 16 VAL H . 30813 1
151 . 1 . 1 16 16 VAL HA H 1 4.183 0.005 . 1 . . . . A 16 VAL HA . 30813 1
152 . 1 . 1 16 16 VAL HB H 1 2.163 0.001 . 1 . . . . A 16 VAL HB . 30813 1
153 . 1 . 1 16 16 VAL HG11 H 1 0.968 0.005 . . . . . . A 16 VAL HG11 . 30813 1
154 . 1 . 1 16 16 VAL HG12 H 1 0.968 0.005 . . . . . . A 16 VAL HG12 . 30813 1
155 . 1 . 1 16 16 VAL HG13 H 1 0.968 0.005 . . . . . . A 16 VAL HG13 . 30813 1
156 . 1 . 1 16 16 VAL HG21 H 1 0.963 0.008 . . . . . . A 16 VAL HG21 . 30813 1
157 . 1 . 1 16 16 VAL HG22 H 1 0.963 0.008 . . . . . . A 16 VAL HG22 . 30813 1
158 . 1 . 1 16 16 VAL HG23 H 1 0.963 0.008 . . . . . . A 16 VAL HG23 . 30813 1
159 . 1 . 1 16 16 VAL CA C 13 63.724 0.000 . 1 . . . . A 16 VAL CA . 30813 1
160 . 1 . 1 16 16 VAL CB C 13 32.738 0.024 . 1 . . . . A 16 VAL CB . 30813 1
161 . 1 . 1 16 16 VAL CG1 C 13 21.349 0.021 . 2 . . . . A 16 VAL CG1 . 30813 1
162 . 1 . 1 16 16 VAL CG2 C 13 21.360 0.009 . 2 . . . . A 16 VAL CG2 . 30813 1
163 . 1 . 1 16 16 VAL N N 15 120.153 0.000 . 1 . . . . A 16 VAL N . 30813 1
164 . 1 . 1 17 17 VAL H H 1 8.045 0.001 . 1 . . . . A 17 VAL H . 30813 1
165 . 1 . 1 17 17 VAL HA H 1 4.117 0.005 . 1 . . . . A 17 VAL HA . 30813 1
166 . 1 . 1 17 17 VAL HB H 1 2.177 0.002 . 1 . . . . A 17 VAL HB . 30813 1
167 . 1 . 1 17 17 VAL HG11 H 1 0.982 0.011 . . . . . . A 17 VAL HG11 . 30813 1
168 . 1 . 1 17 17 VAL HG12 H 1 0.982 0.011 . . . . . . A 17 VAL HG12 . 30813 1
169 . 1 . 1 17 17 VAL HG13 H 1 0.982 0.011 . . . . . . A 17 VAL HG13 . 30813 1
170 . 1 . 1 17 17 VAL HG21 H 1 0.963 0.009 . . . . . . A 17 VAL HG21 . 30813 1
171 . 1 . 1 17 17 VAL HG22 H 1 0.963 0.009 . . . . . . A 17 VAL HG22 . 30813 1
172 . 1 . 1 17 17 VAL HG23 H 1 0.963 0.009 . . . . . . A 17 VAL HG23 . 30813 1
173 . 1 . 1 17 17 VAL CA C 13 63.173 0.000 . 1 . . . . A 17 VAL CA . 30813 1
174 . 1 . 1 17 17 VAL N N 15 119.855 0.000 . 1 . . . . A 17 VAL N . 30813 1
175 . 1 . 1 18 18 ILE H H 1 7.721 0.001 . 1 . . . . A 18 ILE H . 30813 1
176 . 1 . 1 18 18 ILE HA H 1 4.255 0.004 . 1 . . . . A 18 ILE HA . 30813 1
177 . 1 . 1 18 18 ILE HB H 1 1.967 0.000 . 1 . . . . A 18 ILE HB . 30813 1
178 . 1 . 1 18 18 ILE HG12 H 1 1.192 0.004 . 2 . . . . A 18 ILE HG12 . 30813 1
179 . 1 . 1 18 18 ILE HG13 H 1 1.514 0.001 . 2 . . . . A 18 ILE HG13 . 30813 1
180 . 1 . 1 18 18 ILE HG21 H 1 0.932 0.005 . . . . . . A 18 ILE HG21 . 30813 1
181 . 1 . 1 18 18 ILE HG22 H 1 0.932 0.005 . . . . . . A 18 ILE HG22 . 30813 1
182 . 1 . 1 18 18 ILE HG23 H 1 0.932 0.005 . . . . . . A 18 ILE HG23 . 30813 1
183 . 1 . 1 19 19 GLY H H 1 8.241 0.001 . 1 . . . . A 19 GLY H . 30813 1
184 . 1 . 1 19 19 GLY HA2 H 1 3.769 0.002 . 2 . . . . A 19 GLY HA2 . 30813 1
185 . 1 . 1 19 19 GLY HA3 H 1 4.216 0.006 . 2 . . . . A 19 GLY HA3 . 30813 1
186 . 1 . 1 19 19 GLY CA C 13 45.512 0.017 . 1 . . . . A 19 GLY CA . 30813 1
187 . 1 . 1 19 19 GLY N N 15 110.349 0.000 . 1 . . . . A 19 GLY N . 30813 1
188 . 1 . 1 20 20 CYS H H 1 7.836 0.003 . 1 . . . . A 20 CYS H . 30813 1
189 . 1 . 1 20 20 CYS HA H 1 4.894 0.006 . 1 . . . . A 20 CYS HA . 30813 1
190 . 1 . 1 20 20 CYS HB2 H 1 2.665 0.008 . 2 . . . . A 20 CYS HB2 . 30813 1
191 . 1 . 1 20 20 CYS HB3 H 1 3.180 0.005 . 2 . . . . A 20 CYS HB3 . 30813 1
192 . 1 . 1 20 20 CYS CB C 13 46.600 0.035 . 1 . . . . A 20 CYS CB . 30813 1
193 . 1 . 1 20 20 CYS N N 15 118.006 0.000 . 1 . . . . A 20 CYS N . 30813 1
194 . 1 . 1 21 21 SER H H 1 9.583 0.001 . 1 . . . . A 21 SER H . 30813 1
195 . 1 . 1 21 21 SER HA H 1 4.687 0.002 . 1 . . . . A 21 SER HA . 30813 1
196 . 1 . 1 21 21 SER HB2 H 1 3.830 0.001 . 2 . . . . A 21 SER HB2 . 30813 1
197 . 1 . 1 21 21 SER HB3 H 1 3.830 0.001 . 2 . . . . A 21 SER HB3 . 30813 1
198 . 1 . 1 21 21 SER CB C 13 65.889 0.000 . 1 . . . . A 21 SER CB . 30813 1
199 . 1 . 1 21 21 SER N N 15 118.244 0.000 . 1 . . . . A 21 SER N . 30813 1
200 . 1 . 1 22 22 CYS H H 1 8.866 0.001 . 1 . . . . A 22 CYS H . 30813 1
201 . 1 . 1 22 22 CYS HA H 1 4.699 0.004 . 1 . . . . A 22 CYS HA . 30813 1
202 . 1 . 1 22 22 CYS HB2 H 1 3.100 0.002 . 2 . . . . A 22 CYS HB2 . 30813 1
203 . 1 . 1 22 22 CYS HB3 H 1 3.203 0.007 . 2 . . . . A 22 CYS HB3 . 30813 1
204 . 1 . 1 22 22 CYS CB C 13 41.089 0.004 . 1 . . . . A 22 CYS CB . 30813 1
205 . 1 . 1 22 22 CYS N N 15 123.781 0.000 . 1 . . . . A 22 CYS N . 30813 1
206 . 1 . 1 23 23 ARG H H 1 9.570 0.003 . 1 . . . . A 23 ARG H . 30813 1
207 . 1 . 1 23 23 ARG HA H 1 4.677 0.003 . 1 . . . . A 23 ARG HA . 30813 1
208 . 1 . 1 23 23 ARG HB2 H 1 1.838 0.002 . 2 . . . . A 23 ARG HB2 . 30813 1
209 . 1 . 1 23 23 ARG HB3 H 1 1.927 0.004 . 2 . . . . A 23 ARG HB3 . 30813 1
210 . 1 . 1 23 23 ARG HG2 H 1 1.552 0.001 . 2 . . . . A 23 ARG HG2 . 30813 1
211 . 1 . 1 23 23 ARG HG3 H 1 1.649 0.004 . 2 . . . . A 23 ARG HG3 . 30813 1
212 . 1 . 1 23 23 ARG HD2 H 1 2.963 0.003 . 2 . . . . A 23 ARG HD2 . 30813 1
213 . 1 . 1 23 23 ARG HD3 H 1 3.076 0.002 . 2 . . . . A 23 ARG HD3 . 30813 1
214 . 1 . 1 23 23 ARG HE H 1 6.921 0.000 . 1 . . . . A 23 ARG HE . 30813 1
215 . 1 . 1 23 23 ARG CB C 13 31.904 0.000 . 1 . . . . A 23 ARG CB . 30813 1
216 . 1 . 1 23 23 ARG CG C 13 26.839 0.016 . 1 . . . . A 23 ARG CG . 30813 1
217 . 1 . 1 23 23 ARG CD C 13 43.628 0.000 . 1 . . . . A 23 ARG CD . 30813 1
218 . 1 . 1 23 23 ARG N N 15 132.243 0.000 . 1 . . . . A 23 ARG N . 30813 1
219 . 1 . 1 24 24 ASN H H 1 9.355 0.003 . 1 . . . . A 24 ASN H . 30813 1
220 . 1 . 1 24 24 ASN HA H 1 4.316 0.004 . 1 . . . . A 24 ASN HA . 30813 1
221 . 1 . 1 24 24 ASN HB2 H 1 2.730 0.001 . 2 . . . . A 24 ASN HB2 . 30813 1
222 . 1 . 1 24 24 ASN HB3 H 1 3.051 0.002 . 2 . . . . A 24 ASN HB3 . 30813 1
223 . 1 . 1 24 24 ASN HD21 H 1 7.549 0.001 . 2 . . . . A 24 ASN HD21 . 30813 1
224 . 1 . 1 24 24 ASN HD22 H 1 6.878 0.001 . 2 . . . . A 24 ASN HD22 . 30813 1
225 . 1 . 1 24 24 ASN CA C 13 54.585 0.000 . 1 . . . . A 24 ASN CA . 30813 1
226 . 1 . 1 24 24 ASN CB C 13 37.326 0.000 . 1 . . . . A 24 ASN CB . 30813 1
227 . 1 . 1 24 24 ASN N N 15 124.770 0.000 . 1 . . . . A 24 ASN N . 30813 1
228 . 1 . 1 24 24 ASN ND2 N 15 112.392 0.010 . 1 . . . . A 24 ASN ND2 . 30813 1
229 . 1 . 1 25 25 LYS H H 1 8.290 0.002 . 1 . . . . A 25 LYS H . 30813 1
230 . 1 . 1 25 25 LYS HA H 1 3.484 0.001 . 1 . . . . A 25 LYS HA . 30813 1
231 . 1 . 1 25 25 LYS HB2 H 1 1.935 0.001 . 2 . . . . A 25 LYS HB2 . 30813 1
232 . 1 . 1 25 25 LYS HB3 H 1 2.280 0.002 . 2 . . . . A 25 LYS HB3 . 30813 1
233 . 1 . 1 25 25 LYS HG2 H 1 1.287 0.003 . 2 . . . . A 25 LYS HG2 . 30813 1
234 . 1 . 1 25 25 LYS HG3 H 1 1.287 0.003 . 2 . . . . A 25 LYS HG3 . 30813 1
235 . 1 . 1 25 25 LYS HE2 H 1 2.955 0.001 . 2 . . . . A 25 LYS HE2 . 30813 1
236 . 1 . 1 25 25 LYS HE3 H 1 2.955 0.001 . 2 . . . . A 25 LYS HE3 . 30813 1
237 . 1 . 1 25 25 LYS CA C 13 59.994 0.000 . 1 . . . . A 25 LYS CA . 30813 1
238 . 1 . 1 25 25 LYS CB C 13 29.715 0.004 . 1 . . . . A 25 LYS CB . 30813 1
239 . 1 . 1 25 25 LYS CG C 13 25.727 0.000 . 1 . . . . A 25 LYS CG . 30813 1
240 . 1 . 1 25 25 LYS CE C 13 42.405 0.000 . 1 . . . . A 25 LYS CE . 30813 1
241 . 1 . 1 25 25 LYS N N 15 106.269 0.000 . 1 . . . . A 25 LYS N . 30813 1
242 . 1 . 1 26 26 VAL H H 1 7.923 0.003 . 1 . . . . A 26 VAL H . 30813 1
243 . 1 . 1 26 26 VAL HA H 1 4.271 0.004 . 1 . . . . A 26 VAL HA . 30813 1
244 . 1 . 1 26 26 VAL HB H 1 1.994 0.001 . 1 . . . . A 26 VAL HB . 30813 1
245 . 1 . 1 26 26 VAL HG11 H 1 0.952 0.002 . . . . . . A 26 VAL HG11 . 30813 1
246 . 1 . 1 26 26 VAL HG12 H 1 0.952 0.002 . . . . . . A 26 VAL HG12 . 30813 1
247 . 1 . 1 26 26 VAL HG13 H 1 0.952 0.002 . . . . . . A 26 VAL HG13 . 30813 1
248 . 1 . 1 26 26 VAL HG21 H 1 0.561 0.003 . . . . . . A 26 VAL HG21 . 30813 1
249 . 1 . 1 26 26 VAL HG22 H 1 0.561 0.003 . . . . . . A 26 VAL HG22 . 30813 1
250 . 1 . 1 26 26 VAL HG23 H 1 0.561 0.003 . . . . . . A 26 VAL HG23 . 30813 1
251 . 1 . 1 26 26 VAL CA C 13 61.974 0.000 . 1 . . . . A 26 VAL CA . 30813 1
252 . 1 . 1 26 26 VAL CB C 13 35.444 0.013 . 1 . . . . A 26 VAL CB . 30813 1
253 . 1 . 1 26 26 VAL CG2 C 13 21.862 0.090 . 2 . . . . A 26 VAL CG2 . 30813 1
254 . 1 . 1 26 26 VAL N N 15 124.527 0.000 . 1 . . . . A 26 VAL N . 30813 1
255 . 1 . 1 27 27 CYS H H 1 7.793 0.001 . 1 . . . . A 27 CYS H . 30813 1
256 . 1 . 1 27 27 CYS HA H 1 5.177 0.003 . 1 . . . . A 27 CYS HA . 30813 1
257 . 1 . 1 27 27 CYS HB2 H 1 2.707 0.004 . 2 . . . . A 27 CYS HB2 . 30813 1
258 . 1 . 1 27 27 CYS HB3 H 1 3.032 0.004 . 2 . . . . A 27 CYS HB3 . 30813 1
259 . 1 . 1 27 27 CYS CA C 13 55.703 0.000 . 1 . . . . A 27 CYS CA . 30813 1
260 . 1 . 1 27 27 CYS CB C 13 43.314 0.004 . 1 . . . . A 27 CYS CB . 30813 1
261 . 1 . 1 27 27 CYS N N 15 122.239 0.000 . 1 . . . . A 27 CYS N . 30813 1
262 . 1 . 1 28 28 TYR H H 1 9.614 0.001 . 1 . . . . A 28 TYR H . 30813 1
263 . 1 . 1 28 28 TYR HA H 1 5.268 0.007 . 1 . . . . A 28 TYR HA . 30813 1
264 . 1 . 1 28 28 TYR HB2 H 1 2.689 0.003 . 2 . . . . A 28 TYR HB2 . 30813 1
265 . 1 . 1 28 28 TYR HB3 H 1 3.013 0.001 . 2 . . . . A 28 TYR HB3 . 30813 1
266 . 1 . 1 28 28 TYR HD1 H 1 6.912 0.000 . 3 . . . . A 28 TYR HD1 . 30813 1
267 . 1 . 1 28 28 TYR HD2 H 1 6.912 0.000 . 3 . . . . A 28 TYR HD2 . 30813 1
268 . 1 . 1 28 28 TYR CA C 13 58.313 0.000 . 1 . . . . A 28 TYR CA . 30813 1
269 . 1 . 1 28 28 TYR CB C 13 44.081 0.002 . 1 . . . . A 28 TYR CB . 30813 1
270 . 1 . 1 28 28 TYR N N 15 126.029 0.000 . 1 . . . . A 28 TYR N . 30813 1
271 . 1 . 1 29 29 ARG H H 1 9.324 0.002 . 1 . . . . A 29 ARG H . 30813 1
272 . 1 . 1 29 29 ARG HA H 1 4.706 0.000 . 1 . . . . A 29 ARG HA . 30813 1
273 . 1 . 1 29 29 ARG HB2 H 1 1.918 0.003 . 2 . . . . A 29 ARG HB2 . 30813 1
274 . 1 . 1 29 29 ARG HB3 H 1 1.916 0.004 . 2 . . . . A 29 ARG HB3 . 30813 1
275 . 1 . 1 29 29 ARG HG2 H 1 1.560 0.003 . 2 . . . . A 29 ARG HG2 . 30813 1
276 . 1 . 1 29 29 ARG HG3 H 1 1.661 0.005 . 2 . . . . A 29 ARG HG3 . 30813 1
277 . 1 . 1 29 29 ARG HD2 H 1 3.066 0.005 . 2 . . . . A 29 ARG HD2 . 30813 1
278 . 1 . 1 29 29 ARG HD3 H 1 3.186 0.002 . 2 . . . . A 29 ARG HD3 . 30813 1
279 . 1 . 1 29 29 ARG HE H 1 7.377 0.001 . 1 . . . . A 29 ARG HE . 30813 1
280 . 1 . 1 29 29 ARG CB C 13 32.072 0.000 . 1 . . . . A 29 ARG CB . 30813 1
281 . 1 . 1 29 29 ARG CG C 13 29.440 0.003 . 1 . . . . A 29 ARG CG . 30813 1
282 . 1 . 1 29 29 ARG CD C 13 43.822 0.000 . 1 . . . . A 29 ARG CD . 30813 1
283 . 1 . 1 29 29 ARG N N 15 126.210 0.000 . 1 . . . . A 29 ARG N . 30813 1
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