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 30376
_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 $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' . . . 30376 1
2 '2D 1H-1H NOESY' . . . 30376 1
3 '2D 1H-15N HSQC' . . . 30376 1
4 '2D 1H-13C HSQC' . . . 30376 1
5 '2D 1H-1H TOCSY' . . . 30376 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.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 ASP HA H 1 4.388 0.001 . . . . . . A 1 ASP HA . 30376 1
2 . 1 1 1 1 ASP HB2 H 1 2.828 0.002 . . . . . . A 1 ASP HB2 . 30376 1
3 . 1 1 1 1 ASP HB3 H 1 2.955 0.004 . . . . . . A 1 ASP HB3 . 30376 1
4 . 1 1 1 1 ASP CA C 13 52.948 0.000 . . . . . . A 1 ASP CA . 30376 1
5 . 1 1 1 1 ASP CB C 13 39.137 0.004 . . . . . . A 1 ASP CB . 30376 1
6 . 1 1 2 2 CYS H H 1 8.677 0.001 . . . . . . A 2 CYS H . 30376 1
7 . 1 1 2 2 CYS HA H 1 4.910 0.004 . . . . . . A 2 CYS HA . 30376 1
8 . 1 1 2 2 CYS HB2 H 1 3.103 0.005 . . . . . . A 2 CYS HB2 . 30376 1
9 . 1 1 2 2 CYS HB3 H 1 3.250 0.006 . . . . . . A 2 CYS HB3 . 30376 1
10 . 1 1 2 2 CYS CA C 13 54.558 0.000 . . . . . . A 2 CYS CA . 30376 1
11 . 1 1 2 2 CYS CB C 13 43.211 0.033 . . . . . . A 2 CYS CB . 30376 1
12 . 1 1 3 3 LEU H H 1 8.454 0.002 . . . . . . A 3 LEU H . 30376 1
13 . 1 1 3 3 LEU HA H 1 4.309 0.004 . . . . . . A 3 LEU HA . 30376 1
14 . 1 1 3 3 LEU HB2 H 1 1.334 0.006 . . . . . . A 3 LEU HB2 . 30376 1
15 . 1 1 3 3 LEU HB3 H 1 1.798 0.006 . . . . . . A 3 LEU HB3 . 30376 1
16 . 1 1 3 3 LEU HG H 1 1.550 0.007 . . . . . . A 3 LEU HG . 30376 1
17 . 1 1 3 3 LEU HD11 H 1 0.946 0.003 . . . . . . A 3 LEU HD11 . 30376 1
18 . 1 1 3 3 LEU HD12 H 1 0.946 0.003 . . . . . . A 3 LEU HD12 . 30376 1
19 . 1 1 3 3 LEU HD13 H 1 0.946 0.003 . . . . . . A 3 LEU HD13 . 30376 1
20 . 1 1 3 3 LEU HD21 H 1 0.818 0.002 . . . . . . A 3 LEU HD21 . 30376 1
21 . 1 1 3 3 LEU HD22 H 1 0.818 0.002 . . . . . . A 3 LEU HD22 . 30376 1
22 . 1 1 3 3 LEU HD23 H 1 0.818 0.002 . . . . . . A 3 LEU HD23 . 30376 1
23 . 1 1 3 3 LEU CA C 13 54.410 0.000 . . . . . . A 3 LEU CA . 30376 1
24 . 1 1 3 3 LEU CB C 13 44.080 0.012 . . . . . . A 3 LEU CB . 30376 1
25 . 1 1 3 3 LEU CG C 13 26.106 0.000 . . . . . . A 3 LEU CG . 30376 1
26 . 1 1 3 3 LEU CD1 C 13 26.179 0.000 . . . . . . A 3 LEU CD1 . 30376 1
27 . 1 1 3 3 LEU CD2 C 13 24.622 0.000 . . . . . . A 3 LEU CD2 . 30376 1
28 . 1 1 3 3 LEU N N 15 121.287 0.000 . . . . . . A 3 LEU N . 30376 1
29 . 1 1 4 4 GLY H H 1 7.913 0.003 . . . . . . A 4 GLY H . 30376 1
30 . 1 1 4 4 GLY HA2 H 1 3.595 0.005 . . . . . . A 4 GLY HA2 . 30376 1
31 . 1 1 4 4 GLY HA3 H 1 3.421 0.005 . . . . . . A 4 GLY HA3 . 30376 1
32 . 1 1 4 4 GLY CA C 13 42.310 0.005 . . . . . . A 4 GLY CA . 30376 1
33 . 1 1 4 4 GLY N N 15 109.127 0.000 . . . . . . A 4 GLY N . 30376 1
34 . 1 1 5 5 TRP H H 1 7.705 0.001 . . . . . . A 5 TRP H . 30376 1
35 . 1 1 5 5 TRP HA H 1 3.812 0.003 . . . . . . A 5 TRP HA . 30376 1
36 . 1 1 5 5 TRP HB2 H 1 2.932 0.002 . . . . . . A 5 TRP HB2 . 30376 1
37 . 1 1 5 5 TRP HB3 H 1 3.069 0.003 . . . . . . A 5 TRP HB3 . 30376 1
38 . 1 1 5 5 TRP HD1 H 1 7.217 0.002 . . . . . . A 5 TRP HD1 . 30376 1
39 . 1 1 5 5 TRP HE1 H 1 10.220 0.001 . . . . . . A 5 TRP HE1 . 30376 1
40 . 1 1 5 5 TRP HE3 H 1 7.384 0.002 . . . . . . A 5 TRP HE3 . 30376 1
41 . 1 1 5 5 TRP HZ2 H 1 7.090 0.006 . . . . . . A 5 TRP HZ2 . 30376 1
42 . 1 1 5 5 TRP HZ3 H 1 6.401 0.002 . . . . . . A 5 TRP HZ3 . 30376 1
43 . 1 1 5 5 TRP HH2 H 1 6.812 0.000 . . . . . . A 5 TRP HH2 . 30376 1
44 . 1 1 5 5 TRP CA C 13 59.414 0.000 . . . . . . A 5 TRP CA . 30376 1
45 . 1 1 5 5 TRP CB C 13 29.893 0.003 . . . . . . A 5 TRP CB . 30376 1
46 . 1 1 5 5 TRP N N 15 118.078 0.000 . . . . . . A 5 TRP N . 30376 1
47 . 1 1 6 6 PHE H H 1 9.041 0.001 . . . . . . A 6 PHE H . 30376 1
48 . 1 1 6 6 PHE HA H 1 3.585 0.005 . . . . . . A 6 PHE HA . 30376 1
49 . 1 1 6 6 PHE HB2 H 1 2.364 0.002 . . . . . . A 6 PHE HB2 . 30376 1
50 . 1 1 6 6 PHE HB3 H 1 2.745 0.006 . . . . . . A 6 PHE HB3 . 30376 1
51 . 1 1 6 6 PHE HD1 H 1 5.836 0.001 . . . . . . A 6 PHE HD1 . 30376 1
52 . 1 1 6 6 PHE HD2 H 1 5.836 0.001 . . . . . . A 6 PHE HD2 . 30376 1
53 . 1 1 6 6 PHE HE1 H 1 6.772 0.001 . . . . . . A 6 PHE HE1 . 30376 1
54 . 1 1 6 6 PHE HE2 H 1 6.772 0.001 . . . . . . A 6 PHE HE2 . 30376 1
55 . 1 1 6 6 PHE HZ H 1 6.515 0.003 . . . . . . A 6 PHE HZ . 30376 1
56 . 1 1 6 6 PHE CA C 13 59.938 0.000 . . . . . . A 6 PHE CA . 30376 1
57 . 1 1 6 6 PHE CB C 13 36.602 0.002 . . . . . . A 6 PHE CB . 30376 1
58 . 1 1 6 6 PHE N N 15 119.093 0.000 . . . . . . A 6 PHE N . 30376 1
59 . 1 1 7 7 LYS H H 1 7.878 0.001 . . . . . . A 7 LYS H . 30376 1
60 . 1 1 7 7 LYS HA H 1 4.389 0.002 . . . . . . A 7 LYS HA . 30376 1
61 . 1 1 7 7 LYS HB2 H 1 1.750 0.004 . . . . . . A 7 LYS HB2 . 30376 1
62 . 1 1 7 7 LYS HB3 H 1 2.009 0.005 . . . . . . A 7 LYS HB3 . 30376 1
63 . 1 1 7 7 LYS HG2 H 1 1.222 0.005 . . . . . . A 7 LYS HG2 . 30376 1
64 . 1 1 7 7 LYS HG3 H 1 1.459 0.002 . . . . . . A 7 LYS HG3 . 30376 1
65 . 1 1 7 7 LYS HD2 H 1 1.636 0.001 . . . . . . A 7 LYS HD2 . 30376 1
66 . 1 1 7 7 LYS HD3 H 1 1.690 0.010 . . . . . . A 7 LYS HD3 . 30376 1
67 . 1 1 7 7 LYS HE2 H 1 2.982 0.006 . . . . . . A 7 LYS HE2 . 30376 1
68 . 1 1 7 7 LYS HE3 H 1 2.982 0.006 . . . . . . A 7 LYS HE3 . 30376 1
69 . 1 1 7 7 LYS HZ1 H 1 7.540 0.000 . . . . . . A 7 LYS HZ1 . 30376 1
70 . 1 1 7 7 LYS HZ2 H 1 7.540 0.000 . . . . . . A 7 LYS HZ2 . 30376 1
71 . 1 1 7 7 LYS HZ3 H 1 7.540 0.000 . . . . . . A 7 LYS HZ3 . 30376 1
72 . 1 1 7 7 LYS CA C 13 54.517 0.000 . . . . . . A 7 LYS CA . 30376 1
73 . 1 1 7 7 LYS CB C 13 32.550 0.006 . . . . . . A 7 LYS CB . 30376 1
74 . 1 1 7 7 LYS CG C 13 24.469 0.033 . . . . . . A 7 LYS CG . 30376 1
75 . 1 1 7 7 LYS CD C 13 28.991 0.000 . . . . . . A 7 LYS CD . 30376 1
76 . 1 1 7 7 LYS N N 15 120.149 0.000 . . . . . . A 7 LYS N . 30376 1
77 . 1 1 8 8 SER H H 1 8.482 0.006 . . . . . . A 8 SER H . 30376 1
78 . 1 1 8 8 SER HA H 1 4.904 0.007 . . . . . . A 8 SER HA . 30376 1
79 . 1 1 8 8 SER HB2 H 1 3.923 0.001 . . . . . . A 8 SER HB2 . 30376 1
80 . 1 1 8 8 SER HB3 H 1 3.967 0.002 . . . . . . A 8 SER HB3 . 30376 1
81 . 1 1 8 8 SER CA C 13 59.417 0.000 . . . . . . A 8 SER CA . 30376 1
82 . 1 1 8 8 SER CB C 13 63.511 0.001 . . . . . . A 8 SER CB . 30376 1
83 . 1 1 8 8 SER N N 15 117.056 0.000 . . . . . . A 8 SER N . 30376 1
84 . 1 1 9 9 CYS H H 1 8.210 0.001 . . . . . . A 9 CYS H . 30376 1
85 . 1 1 9 9 CYS HA H 1 4.854 0.007 . . . . . . A 9 CYS HA . 30376 1
86 . 1 1 9 9 CYS HB2 H 1 3.005 0.001 . . . . . . A 9 CYS HB2 . 30376 1
87 . 1 1 9 9 CYS HB3 H 1 3.060 0.006 . . . . . . A 9 CYS HB3 . 30376 1
88 . 1 1 9 9 CYS CA C 13 54.915 0.000 . . . . . . A 9 CYS CA . 30376 1
89 . 1 1 9 9 CYS CB C 13 46.522 0.008 . . . . . . A 9 CYS CB . 30376 1
90 . 1 1 9 9 CYS N N 15 120.329 0.000 . . . . . . A 9 CYS N . 30376 1
91 . 1 1 10 10 ASP H H 1 8.960 0.002 . . . . . . A 10 ASP H . 30376 1
92 . 1 1 10 10 ASP HA H 1 5.055 0.004 . . . . . . A 10 ASP HA . 30376 1
93 . 1 1 10 10 ASP HB2 H 1 2.580 0.001 . . . . . . A 10 ASP HB2 . 30376 1
94 . 1 1 10 10 ASP HB3 H 1 2.909 0.002 . . . . . . A 10 ASP HB3 . 30376 1
95 . 1 1 10 10 ASP CA C 13 49.134 0.000 . . . . . . A 10 ASP CA . 30376 1
96 . 1 1 10 10 ASP CB C 13 42.581 0.000 . . . . . . A 10 ASP CB . 30376 1
97 . 1 1 10 10 ASP N N 15 120.572 0.000 . . . . . . A 10 ASP N . 30376 1
98 . 1 1 11 11 PRO HA H 1 3.877 0.003 . . . . . . A 11 PRO HA . 30376 1
99 . 1 1 11 11 PRO HB2 H 1 1.911 0.005 . . . . . . A 11 PRO HB2 . 30376 1
100 . 1 1 11 11 PRO HB3 H 1 2.147 0.003 . . . . . . A 11 PRO HB3 . 30376 1
101 . 1 1 11 11 PRO HG2 H 1 1.801 0.003 . . . . . . A 11 PRO HG2 . 30376 1
102 . 1 1 11 11 PRO HG3 H 1 2.019 0.008 . . . . . . A 11 PRO HG3 . 30376 1
103 . 1 1 11 11 PRO HD2 H 1 3.840 0.003 . . . . . . A 11 PRO HD2 . 30376 1
104 . 1 1 11 11 PRO HD3 H 1 3.910 0.005 . . . . . . A 11 PRO HD3 . 30376 1
105 . 1 1 11 11 PRO CA C 13 64.511 0.000 . . . . . . A 11 PRO CA . 30376 1
106 . 1 1 11 11 PRO CB C 13 32.194 0.002 . . . . . . A 11 PRO CB . 30376 1
107 . 1 1 11 11 PRO CG C 13 27.623 0.006 . . . . . . A 11 PRO CG . 30376 1
108 . 1 1 11 11 PRO CD C 13 50.718 0.006 . . . . . . A 11 PRO CD . 30376 1
109 . 1 1 12 12 LYS H H 1 7.987 0.006 . . . . . . A 12 LYS H . 30376 1
110 . 1 1 12 12 LYS HA H 1 4.197 0.003 . . . . . . A 12 LYS HA . 30376 1
111 . 1 1 12 12 LYS HB2 H 1 1.775 0.005 . . . . . . A 12 LYS HB2 . 30376 1
112 . 1 1 12 12 LYS HB3 H 1 1.841 0.005 . . . . . . A 12 LYS HB3 . 30376 1
113 . 1 1 12 12 LYS HG2 H 1 1.583 0.001 . . . . . . A 12 LYS HG2 . 30376 1
114 . 1 1 12 12 LYS HG3 H 1 1.678 0.007 . . . . . . A 12 LYS HG3 . 30376 1
115 . 1 1 12 12 LYS HD2 H 1 1.415 0.003 . . . . . . A 12 LYS HD2 . 30376 1
116 . 1 1 12 12 LYS HD3 H 1 1.415 0.003 . . . . . . A 12 LYS HD3 . 30376 1
117 . 1 1 12 12 LYS HE2 H 1 2.892 0.000 . . . . . . A 12 LYS HE2 . 30376 1
118 . 1 1 12 12 LYS HE3 H 1 2.892 0.000 . . . . . . A 12 LYS HE3 . 30376 1
119 . 1 1 12 12 LYS HZ1 H 1 7.497 0.002 . . . . . . A 12 LYS HZ1 . 30376 1
120 . 1 1 12 12 LYS HZ2 H 1 7.497 0.002 . . . . . . A 12 LYS HZ2 . 30376 1
121 . 1 1 12 12 LYS HZ3 H 1 7.497 0.002 . . . . . . A 12 LYS HZ3 . 30376 1
122 . 1 1 12 12 LYS CA C 13 56.745 0.000 . . . . . . A 12 LYS CA . 30376 1
123 . 1 1 12 12 LYS CB C 13 32.379 0.057 . . . . . . A 12 LYS CB . 30376 1
124 . 1 1 12 12 LYS CG C 13 25.214 0.000 . . . . . . A 12 LYS CG . 30376 1
125 . 1 1 12 12 LYS CD C 13 28.046 0.000 . . . . . . A 12 LYS CD . 30376 1
126 . 1 1 12 12 LYS CE C 13 41.887 0.000 . . . . . . A 12 LYS CE . 30376 1
127 . 1 1 12 12 LYS N N 15 123.559 0.000 . . . . . . A 12 LYS N . 30376 1
128 . 1 1 13 13 ASN H H 1 7.558 0.002 . . . . . . A 13 ASN H . 30376 1
129 . 1 1 13 13 ASN HA H 1 4.692 0.004 . . . . . . A 13 ASN HA . 30376 1
130 . 1 1 13 13 ASN HB2 H 1 2.512 0.004 . . . . . . A 13 ASN HB2 . 30376 1
131 . 1 1 13 13 ASN HB3 H 1 2.628 0.003 . . . . . . A 13 ASN HB3 . 30376 1
132 . 1 1 13 13 ASN HD21 H 1 6.665 0.003 . . . . . . A 13 ASN HD21 . 30376 1
133 . 1 1 13 13 ASN HD22 H 1 6.402 0.002 . . . . . . A 13 ASN HD22 . 30376 1
134 . 1 1 13 13 ASN CA C 13 52.339 0.000 . . . . . . A 13 ASN CA . 30376 1
135 . 1 1 13 13 ASN CB C 13 38.173 0.045 . . . . . . A 13 ASN CB . 30376 1
136 . 1 1 13 13 ASN N N 15 112.670 0.000 . . . . . . A 13 ASN N . 30376 1
137 . 1 1 14 14 ASP H H 1 8.607 0.001 . . . . . . A 14 ASP H . 30376 1
138 . 1 1 14 14 ASP HA H 1 4.231 0.002 . . . . . . A 14 ASP HA . 30376 1
139 . 1 1 14 14 ASP HB2 H 1 2.614 0.005 . . . . . . A 14 ASP HB2 . 30376 1
140 . 1 1 14 14 ASP HB3 H 1 3.097 0.013 . . . . . . A 14 ASP HB3 . 30376 1
141 . 1 1 14 14 ASP CA C 13 55.184 0.000 . . . . . . A 14 ASP CA . 30376 1
142 . 1 1 14 14 ASP CB C 13 40.343 0.009 . . . . . . A 14 ASP CB . 30376 1
143 . 1 1 14 14 ASP N N 15 122.674 0.000 . . . . . . A 14 ASP N . 30376 1
144 . 1 1 15 15 LYS H H 1 8.091 0.001 . . . . . . A 15 LYS H . 30376 1
145 . 1 1 15 15 LYS HA H 1 4.653 0.004 . . . . . . A 15 LYS HA . 30376 1
146 . 1 1 15 15 LYS HB2 H 1 1.615 0.002 . . . . . . A 15 LYS HB2 . 30376 1
147 . 1 1 15 15 LYS HB3 H 1 2.347 0.001 . . . . . . A 15 LYS HB3 . 30376 1
148 . 1 1 15 15 LYS HG2 H 1 1.381 0.003 . . . . . . A 15 LYS HG2 . 30376 1
149 . 1 1 15 15 LYS HG3 H 1 1.381 0.003 . . . . . . A 15 LYS HG3 . 30376 1
150 . 1 1 15 15 LYS HD2 H 1 1.482 0.001 . . . . . . A 15 LYS HD2 . 30376 1
151 . 1 1 15 15 LYS HD3 H 1 1.482 0.001 . . . . . . A 15 LYS HD3 . 30376 1
152 . 1 1 15 15 LYS HZ1 H 1 7.491 0.000 . . . . . . A 15 LYS HZ1 . 30376 1
153 . 1 1 15 15 LYS HZ2 H 1 7.491 0.000 . . . . . . A 15 LYS HZ2 . 30376 1
154 . 1 1 15 15 LYS HZ3 H 1 7.491 0.000 . . . . . . A 15 LYS HZ3 . 30376 1
155 . 1 1 15 15 LYS CA C 13 54.614 0.000 . . . . . . A 15 LYS CA . 30376 1
156 . 1 1 15 15 LYS CB C 13 31.460 0.012 . . . . . . A 15 LYS CB . 30376 1
157 . 1 1 15 15 LYS CG C 13 24.525 0.000 . . . . . . A 15 LYS CG . 30376 1
158 . 1 1 15 15 LYS CD C 13 30.951 0.000 . . . . . . A 15 LYS CD . 30376 1
159 . 1 1 16 16 CYS H H 1 8.916 0.004 . . . . . . A 16 CYS H . 30376 1
160 . 1 1 16 16 CYS HA H 1 5.080 0.002 . . . . . . A 16 CYS HA . 30376 1
161 . 1 1 16 16 CYS HB2 H 1 2.890 0.001 . . . . . . A 16 CYS HB2 . 30376 1
162 . 1 1 16 16 CYS HB3 H 1 2.890 0.001 . . . . . . A 16 CYS HB3 . 30376 1
163 . 1 1 16 16 CYS CA C 13 56.628 0.000 . . . . . . A 16 CYS CA . 30376 1
164 . 1 1 16 16 CYS CB C 13 38.876 0.000 . . . . . . A 16 CYS CB . 30376 1
165 . 1 1 16 16 CYS N N 15 120.738 0.000 . . . . . . A 16 CYS N . 30376 1
166 . 1 1 17 17 CYS H H 1 9.265 0.001 . . . . . . A 17 CYS H . 30376 1
167 . 1 1 17 17 CYS HA H 1 4.479 0.003 . . . . . . A 17 CYS HA . 30376 1
168 . 1 1 17 17 CYS HB2 H 1 2.463 0.002 . . . . . . A 17 CYS HB2 . 30376 1
169 . 1 1 17 17 CYS HB3 H 1 3.462 0.005 . . . . . . A 17 CYS HB3 . 30376 1
170 . 1 1 17 17 CYS CA C 13 54.363 0.000 . . . . . . A 17 CYS CA . 30376 1
171 . 1 1 17 17 CYS CB C 13 41.822 0.017 . . . . . . A 17 CYS CB . 30376 1
172 . 1 1 17 17 CYS N N 15 121.246 0.000 . . . . . . A 17 CYS N . 30376 1
173 . 1 1 18 18 LYS H H 1 8.279 0.002 . . . . . . A 18 LYS H . 30376 1
174 . 1 1 18 18 LYS HA H 1 4.111 0.001 . . . . . . A 18 LYS HA . 30376 1
175 . 1 1 18 18 LYS HB2 H 1 1.703 0.003 . . . . . . A 18 LYS HB2 . 30376 1
176 . 1 1 18 18 LYS HB3 H 1 1.841 0.003 . . . . . . A 18 LYS HB3 . 30376 1
177 . 1 1 18 18 LYS HG3 H 1 1.165 0.000 . . . . . . A 18 LYS HG3 . 30376 1
178 . 1 1 18 18 LYS HD2 H 1 1.450 0.004 . . . . . . A 18 LYS HD2 . 30376 1
179 . 1 1 18 18 LYS HD3 H 1 1.450 0.004 . . . . . . A 18 LYS HD3 . 30376 1
180 . 1 1 18 18 LYS HE2 H 1 3.102 0.006 . . . . . . A 18 LYS HE2 . 30376 1
181 . 1 1 18 18 LYS HE3 H 1 3.102 0.006 . . . . . . A 18 LYS HE3 . 30376 1
182 . 1 1 18 18 LYS HZ1 H 1 7.167 0.002 . . . . . . A 18 LYS HZ1 . 30376 1
183 . 1 1 18 18 LYS HZ2 H 1 7.167 0.002 . . . . . . A 18 LYS HZ2 . 30376 1
184 . 1 1 18 18 LYS HZ3 H 1 7.167 0.002 . . . . . . A 18 LYS HZ3 . 30376 1
185 . 1 1 18 18 LYS CA C 13 58.620 0.000 . . . . . . A 18 LYS CA . 30376 1
186 . 1 1 18 18 LYS CB C 13 32.325 0.020 . . . . . . A 18 LYS CB . 30376 1
187 . 1 1 18 18 LYS CD C 13 26.948 0.000 . . . . . . A 18 LYS CD . 30376 1
188 . 1 1 18 18 LYS N N 15 119.963 0.000 . . . . . . A 18 LYS N . 30376 1
189 . 1 1 19 19 ASN H H 1 8.650 0.003 . . . . . . A 19 ASN H . 30376 1
190 . 1 1 19 19 ASN HA H 1 4.089 0.014 . . . . . . A 19 ASN HA . 30376 1
191 . 1 1 19 19 ASN HB2 H 1 2.612 0.007 . . . . . . A 19 ASN HB2 . 30376 1
192 . 1 1 19 19 ASN HB3 H 1 3.259 0.002 . . . . . . A 19 ASN HB3 . 30376 1
193 . 1 1 19 19 ASN HD21 H 1 7.443 0.000 . . . . . . A 19 ASN HD21 . 30376 1
194 . 1 1 19 19 ASN HD22 H 1 6.906 0.000 . . . . . . A 19 ASN HD22 . 30376 1
195 . 1 1 19 19 ASN CA C 13 57.813 0.000 . . . . . . A 19 ASN CA . 30376 1
196 . 1 1 19 19 ASN CB C 13 37.059 0.018 . . . . . . A 19 ASN CB . 30376 1
197 . 1 1 19 19 ASN N N 15 115.270 0.000 . . . . . . A 19 ASN N . 30376 1
198 . 1 1 20 20 TYR H H 1 8.539 0.003 . . . . . . A 20 TYR H . 30376 1
199 . 1 1 20 20 TYR HA H 1 5.130 0.003 . . . . . . A 20 TYR HA . 30376 1
200 . 1 1 20 20 TYR HB2 H 1 2.503 0.005 . . . . . . A 20 TYR HB2 . 30376 1
201 . 1 1 20 20 TYR HB3 H 1 3.317 0.005 . . . . . . A 20 TYR HB3 . 30376 1
202 . 1 1 20 20 TYR HD1 H 1 6.669 0.003 . . . . . . A 20 TYR HD1 . 30376 1
203 . 1 1 20 20 TYR HD2 H 1 6.669 0.003 . . . . . . A 20 TYR HD2 . 30376 1
204 . 1 1 20 20 TYR HE1 H 1 6.405 0.000 . . . . . . A 20 TYR HE1 . 30376 1
205 . 1 1 20 20 TYR HE2 H 1 6.405 0.000 . . . . . . A 20 TYR HE2 . 30376 1
206 . 1 1 20 20 TYR CB C 13 40.984 0.013 . . . . . . A 20 TYR CB . 30376 1
207 . 1 1 20 20 TYR N N 15 117.112 0.000 . . . . . . A 20 TYR N . 30376 1
208 . 1 1 21 21 THR H H 1 8.974 0.002 . . . . . . A 21 THR H . 30376 1
209 . 1 1 21 21 THR HA H 1 4.604 0.002 . . . . . . A 21 THR HA . 30376 1
210 . 1 1 21 21 THR HB H 1 3.908 0.003 . . . . . . A 21 THR HB . 30376 1
211 . 1 1 21 21 THR HG21 H 1 1.111 0.002 . . . . . . A 21 THR HG21 . 30376 1
212 . 1 1 21 21 THR HG22 H 1 1.111 0.002 . . . . . . A 21 THR HG22 . 30376 1
213 . 1 1 21 21 THR HG23 H 1 1.111 0.002 . . . . . . A 21 THR HG23 . 30376 1
214 . 1 1 21 21 THR CA C 13 60.674 0.000 . . . . . . A 21 THR CA . 30376 1
215 . 1 1 21 21 THR CB C 13 71.825 0.000 . . . . . . A 21 THR CB . 30376 1
216 . 1 1 21 21 THR CG2 C 13 20.794 0.000 . . . . . . A 21 THR CG2 . 30376 1
217 . 1 1 21 21 THR N N 15 114.244 0.000 . . . . . . A 21 THR N . 30376 1
218 . 1 1 22 22 CYS H H 1 9.285 0.003 . . . . . . A 22 CYS H . 30376 1
219 . 1 1 22 22 CYS HA H 1 4.575 0.004 . . . . . . A 22 CYS HA . 30376 1
220 . 1 1 22 22 CYS HB2 H 1 2.633 0.002 . . . . . . A 22 CYS HB2 . 30376 1
221 . 1 1 22 22 CYS HB3 H 1 3.071 0.004 . . . . . . A 22 CYS HB3 . 30376 1
222 . 1 1 22 22 CYS CA C 13 55.897 0.000 . . . . . . A 22 CYS CA . 30376 1
223 . 1 1 22 22 CYS CB C 13 38.828 0.017 . . . . . . A 22 CYS CB . 30376 1
224 . 1 1 22 22 CYS N N 15 127.034 0.000 . . . . . . A 22 CYS N . 30376 1
225 . 1 1 23 23 SER H H 1 8.001 0.002 . . . . . . A 23 SER H . 30376 1
226 . 1 1 23 23 SER HA H 1 4.355 0.002 . . . . . . A 23 SER HA . 30376 1
227 . 1 1 23 23 SER HB2 H 1 3.696 0.005 . . . . . . A 23 SER HB2 . 30376 1
228 . 1 1 23 23 SER HB3 H 1 3.986 0.002 . . . . . . A 23 SER HB3 . 30376 1
229 . 1 1 23 23 SER CA C 13 57.587 0.000 . . . . . . A 23 SER CA . 30376 1
230 . 1 1 23 23 SER CB C 13 63.586 0.063 . . . . . . A 23 SER CB . 30376 1
231 . 1 1 23 23 SER N N 15 114.610 0.000 . . . . . . A 23 SER N . 30376 1
232 . 1 1 24 24 ARG H H 1 8.879 0.001 . . . . . . A 24 ARG H . 30376 1
233 . 1 1 24 24 ARG HA H 1 3.809 0.002 . . . . . . A 24 ARG HA . 30376 1
234 . 1 1 24 24 ARG HB2 H 1 1.736 0.003 . . . . . . A 24 ARG HB2 . 30376 1
235 . 1 1 24 24 ARG HB3 H 1 1.816 0.006 . . . . . . A 24 ARG HB3 . 30376 1
236 . 1 1 24 24 ARG HG2 H 1 1.609 0.005 . . . . . . A 24 ARG HG2 . 30376 1
237 . 1 1 24 24 ARG HG3 H 1 1.609 0.005 . . . . . . A 24 ARG HG3 . 30376 1
238 . 1 1 24 24 ARG HD2 H 1 3.196 0.003 . . . . . . A 24 ARG HD2 . 30376 1
239 . 1 1 24 24 ARG HD3 H 1 3.196 0.003 . . . . . . A 24 ARG HD3 . 30376 1
240 . 1 1 24 24 ARG HE H 1 7.233 0.001 . . . . . . A 24 ARG HE . 30376 1
241 . 1 1 24 24 ARG CA C 13 58.111 0.000 . . . . . . A 24 ARG CA . 30376 1
242 . 1 1 24 24 ARG CB C 13 29.815 0.020 . . . . . . A 24 ARG CB . 30376 1
243 . 1 1 24 24 ARG CG C 13 28.249 0.000 . . . . . . A 24 ARG CG . 30376 1
244 . 1 1 24 24 ARG CD C 13 43.277 0.000 . . . . . . A 24 ARG CD . 30376 1
245 . 1 1 24 24 ARG N N 15 128.971 0.000 . . . . . . A 24 ARG N . 30376 1
246 . 1 1 25 25 ARG H H 1 7.876 0.004 . . . . . . A 25 ARG H . 30376 1
247 . 1 1 25 25 ARG HA H 1 4.100 0.002 . . . . . . A 25 ARG HA . 30376 1
248 . 1 1 25 25 ARG HB2 H 1 1.497 0.005 . . . . . . A 25 ARG HB2 . 30376 1
249 . 1 1 25 25 ARG HB3 H 1 1.676 0.002 . . . . . . A 25 ARG HB3 . 30376 1
250 . 1 1 25 25 ARG HG2 H 1 1.601 0.002 . . . . . . A 25 ARG HG2 . 30376 1
251 . 1 1 25 25 ARG HG3 H 1 1.734 0.000 . . . . . . A 25 ARG HG3 . 30376 1
252 . 1 1 25 25 ARG CA C 13 58.603 0.000 . . . . . . A 25 ARG CA . 30376 1
253 . 1 1 25 25 ARG CB C 13 30.940 0.026 . . . . . . A 25 ARG CB . 30376 1
254 . 1 1 25 25 ARG CG C 13 28.161 0.006 . . . . . . A 25 ARG CG . 30376 1
255 . 1 1 25 25 ARG N N 15 116.072 0.000 . . . . . . A 25 ARG N . 30376 1
256 . 1 1 26 26 ASP H H 1 7.394 0.004 . . . . . . A 26 ASP H . 30376 1
257 . 1 1 26 26 ASP HA H 1 4.288 0.002 . . . . . . A 26 ASP HA . 30376 1
258 . 1 1 26 26 ASP HB2 H 1 1.022 0.004 . . . . . . A 26 ASP HB2 . 30376 1
259 . 1 1 26 26 ASP HB3 H 1 1.250 0.003 . . . . . . A 26 ASP HB3 . 30376 1
260 . 1 1 26 26 ASP CA C 13 54.227 0.000 . . . . . . A 26 ASP CA . 30376 1
261 . 1 1 26 26 ASP CB C 13 39.270 0.027 . . . . . . A 26 ASP CB . 30376 1
262 . 1 1 26 26 ASP N N 15 114.001 0.000 . . . . . . A 26 ASP N . 30376 1
263 . 1 1 27 27 ARG H H 1 8.190 0.003 . . . . . . A 27 ARG H . 30376 1
264 . 1 1 27 27 ARG HA H 1 3.781 0.005 . . . . . . A 27 ARG HA . 30376 1
265 . 1 1 27 27 ARG HB2 H 1 1.999 0.005 . . . . . . A 27 ARG HB2 . 30376 1
266 . 1 1 27 27 ARG HB3 H 1 2.345 0.002 . . . . . . A 27 ARG HB3 . 30376 1
267 . 1 1 27 27 ARG HG2 H 1 1.286 0.006 . . . . . . A 27 ARG HG2 . 30376 1
268 . 1 1 27 27 ARG HG3 H 1 1.410 0.006 . . . . . . A 27 ARG HG3 . 30376 1
269 . 1 1 27 27 ARG HD2 H 1 3.195 0.009 . . . . . . A 27 ARG HD2 . 30376 1
270 . 1 1 27 27 ARG HD3 H 1 3.195 0.009 . . . . . . A 27 ARG HD3 . 30376 1
271 . 1 1 27 27 ARG HE H 1 7.285 0.001 . . . . . . A 27 ARG HE . 30376 1
272 . 1 1 27 27 ARG CB C 13 26.275 0.013 . . . . . . A 27 ARG CB . 30376 1
273 . 1 1 27 27 ARG CG C 13 28.074 0.017 . . . . . . A 27 ARG CG . 30376 1
274 . 1 1 27 27 ARG CD C 13 43.252 0.000 . . . . . . A 27 ARG CD . 30376 1
275 . 1 1 28 28 TRP H H 1 6.858 0.012 . . . . . . A 28 TRP H . 30376 1
276 . 1 1 28 28 TRP HA H 1 5.592 0.002 . . . . . . A 28 TRP HA . 30376 1
277 . 1 1 28 28 TRP HB2 H 1 2.599 0.006 . . . . . . A 28 TRP HB2 . 30376 1
278 . 1 1 28 28 TRP HB3 H 1 3.132 0.008 . . . . . . A 28 TRP HB3 . 30376 1
279 . 1 1 28 28 TRP HD1 H 1 6.866 0.003 . . . . . . A 28 TRP HD1 . 30376 1
280 . 1 1 28 28 TRP HE1 H 1 10.219 0.001 . . . . . . A 28 TRP HE1 . 30376 1
281 . 1 1 28 28 TRP HZ2 H 1 7.456 0.008 . . . . . . A 28 TRP HZ2 . 30376 1
282 . 1 1 28 28 TRP HZ3 H 1 6.787 0.000 . . . . . . A 28 TRP HZ3 . 30376 1
283 . 1 1 28 28 TRP HH2 H 1 7.052 0.000 . . . . . . A 28 TRP HH2 . 30376 1
284 . 1 1 28 28 TRP CA C 13 57.180 0.000 . . . . . . A 28 TRP CA . 30376 1
285 . 1 1 28 28 TRP CB C 13 31.196 0.002 . . . . . . A 28 TRP CB . 30376 1
286 . 1 1 28 28 TRP N N 15 111.750 0.000 . . . . . . A 28 TRP N . 30376 1
287 . 1 1 29 29 CYS H H 1 8.464 0.003 . . . . . . A 29 CYS H . 30376 1
288 . 1 1 29 29 CYS HA H 1 4.925 0.006 . . . . . . A 29 CYS HA . 30376 1
289 . 1 1 29 29 CYS HB2 H 1 2.548 0.011 . . . . . . A 29 CYS HB2 . 30376 1
290 . 1 1 29 29 CYS HB3 H 1 3.329 0.002 . . . . . . A 29 CYS HB3 . 30376 1
291 . 1 1 29 29 CYS CA C 13 55.289 0.000 . . . . . . A 29 CYS CA . 30376 1
292 . 1 1 29 29 CYS CB C 13 39.127 0.050 . . . . . . A 29 CYS CB . 30376 1
293 . 1 1 29 29 CYS N N 15 118.719 0.000 . . . . . . A 29 CYS N . 30376 1
294 . 1 1 30 30 LYS H H 1 9.341 0.002 . . . . . . A 30 LYS H . 30376 1
295 . 1 1 30 30 LYS HA H 1 4.849 0.002 . . . . . . A 30 LYS HA . 30376 1
296 . 1 1 30 30 LYS HB2 H 1 1.904 0.001 . . . . . . A 30 LYS HB2 . 30376 1
297 . 1 1 30 30 LYS HB3 H 1 1.986 0.002 . . . . . . A 30 LYS HB3 . 30376 1
298 . 1 1 30 30 LYS HG2 H 1 1.581 0.015 . . . . . . A 30 LYS HG2 . 30376 1
299 . 1 1 30 30 LYS HG3 H 1 1.581 0.015 . . . . . . A 30 LYS HG3 . 30376 1
300 . 1 1 30 30 LYS HD2 H 1 1.744 0.003 . . . . . . A 30 LYS HD2 . 30376 1
301 . 1 1 30 30 LYS HD3 H 1 1.744 0.003 . . . . . . A 30 LYS HD3 . 30376 1
302 . 1 1 30 30 LYS CA C 13 53.777 0.000 . . . . . . A 30 LYS CA . 30376 1
303 . 1 1 30 30 LYS CB C 13 35.646 0.022 . . . . . . A 30 LYS CB . 30376 1
304 . 1 1 30 30 LYS CG C 13 24.709 0.000 . . . . . . A 30 LYS CG . 30376 1
305 . 1 1 30 30 LYS CD C 13 29.614 0.000 . . . . . . A 30 LYS CD . 30376 1
306 . 1 1 30 30 LYS N N 15 126.255 0.000 . . . . . . A 30 LYS N . 30376 1
307 . 1 1 31 31 TYR H H 1 7.649 0.001 . . . . . . A 31 TYR H . 30376 1
308 . 1 1 31 31 TYR HA H 1 3.950 0.002 . . . . . . A 31 TYR HA . 30376 1
309 . 1 1 31 31 TYR HB2 H 1 2.224 0.002 . . . . . . A 31 TYR HB2 . 30376 1
310 . 1 1 31 31 TYR HB3 H 1 2.649 0.002 . . . . . . A 31 TYR HB3 . 30376 1
311 . 1 1 31 31 TYR HD1 H 1 6.507 0.001 . . . . . . A 31 TYR HD1 . 30376 1
312 . 1 1 31 31 TYR HD2 H 1 6.507 0.001 . . . . . . A 31 TYR HD2 . 30376 1
313 . 1 1 31 31 TYR HE1 H 1 6.450 0.001 . . . . . . A 31 TYR HE1 . 30376 1
314 . 1 1 31 31 TYR HE2 H 1 6.450 0.001 . . . . . . A 31 TYR HE2 . 30376 1
315 . 1 1 31 31 TYR CA C 13 57.939 0.000 . . . . . . A 31 TYR CA . 30376 1
316 . 1 1 31 31 TYR CB C 13 38.474 0.004 . . . . . . A 31 TYR CB . 30376 1
317 . 1 1 31 31 TYR N N 15 112.606 0.000 . . . . . . A 31 TYR N . 30376 1
318 . 1 1 32 32 ASP H H 1 8.437 0.003 . . . . . . A 32 ASP H . 30376 1
319 . 1 1 32 32 ASP HA H 1 4.453 0.003 . . . . . . A 32 ASP HA . 30376 1
320 . 1 1 32 32 ASP HB2 H 1 2.428 0.002 . . . . . . A 32 ASP HB2 . 30376 1
321 . 1 1 32 32 ASP HB3 H 1 2.553 0.003 . . . . . . A 32 ASP HB3 . 30376 1
322 . 1 1 32 32 ASP CA C 13 53.445 0.000 . . . . . . A 32 ASP CA . 30376 1
323 . 1 1 32 32 ASP CB C 13 38.457 0.010 . . . . . . A 32 ASP CB . 30376 1
324 . 1 1 32 32 ASP N N 15 125.757 0.000 . . . . . . A 32 ASP N . 30376 1
325 . 1 1 33 33 LEU H H 1 6.536 0.013 . . . . . . A 33 LEU H . 30376 1
326 . 1 1 33 33 LEU HA H 1 4.137 0.002 . . . . . . A 33 LEU HA . 30376 1
327 . 1 1 33 33 LEU HB2 H 1 1.266 0.015 . . . . . . A 33 LEU HB2 . 30376 1
328 . 1 1 33 33 LEU HB3 H 1 1.480 0.002 . . . . . . A 33 LEU HB3 . 30376 1
329 . 1 1 33 33 LEU HD11 H 1 0.816 0.004 . . . . . . A 33 LEU HD11 . 30376 1
330 . 1 1 33 33 LEU HD12 H 1 0.816 0.004 . . . . . . A 33 LEU HD12 . 30376 1
331 . 1 1 33 33 LEU HD13 H 1 0.816 0.004 . . . . . . A 33 LEU HD13 . 30376 1
332 . 1 1 33 33 LEU HD21 H 1 0.743 0.001 . . . . . . A 33 LEU HD21 . 30376 1
333 . 1 1 33 33 LEU HD22 H 1 0.743 0.001 . . . . . . A 33 LEU HD22 . 30376 1
334 . 1 1 33 33 LEU HD23 H 1 0.743 0.001 . . . . . . A 33 LEU HD23 . 30376 1
335 . 1 1 33 33 LEU CB C 13 41.918 0.009 . . . . . . A 33 LEU CB . 30376 1
336 . 1 1 33 33 LEU CD1 C 13 23.210 0.000 . . . . . . A 33 LEU CD1 . 30376 1
337 . 1 1 33 33 LEU CD2 C 13 23.155 0.000 . . . . . . A 33 LEU CD2 . 30376 1
338 . 1 1 33 33 LEU N N 15 121.203 0.000 . . . . . . A 33 LEU N . 30376 1
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