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 30190
_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 '1D 1H' . . . 30190 1
2 '2D 1H-1H TOCSY' . . . 30190 1
3 '2D 1H-1H NOESY' . . . 30190 1
4 '2D 1H-15N HSQC' . . . 30190 1
5 '2D 1H-13C HSQC' . . . 30190 1
6 '1D 1H' . . . 30190 1
7 '2D 1H-1H TOCSY' . . . 30190 1
8 '1D 1H' . . . 30190 1
9 '2D 1H-1H NOESY' . . . 30190 1
10 '2D 1H-1H TOCSY' . . . 30190 1
11 '2D E.COSY' . . . 30190 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 8.546 0.003 . . . . . A 2 CYS H . 30190 1
2 . 1 1 2 2 CYS HA H 1 5.036 0.004 . . . . . A 2 CYS HA . 30190 1
3 . 1 1 2 2 CYS HB2 H 1 3.179 0.010 . . . . . A 2 CYS HB2 . 30190 1
4 . 1 1 2 2 CYS HB3 H 1 3.296 0.005 . . . . . A 2 CYS HB3 . 30190 1
5 . 1 1 2 2 CYS CA C 13 54.651 0.000 . . . . . A 2 CYS CA . 30190 1
6 . 1 1 2 2 CYS CB C 13 44.239 0.008 . . . . . A 2 CYS CB . 30190 1
7 . 1 1 3 3 LEU H H 1 8.776 0.003 . . . . . A 3 LEU H . 30190 1
8 . 1 1 3 3 LEU HA H 1 4.349 0.002 . . . . . A 3 LEU HA . 30190 1
9 . 1 1 3 3 LEU HB2 H 1 1.373 0.003 . . . . . A 3 LEU HB2 . 30190 1
10 . 1 1 3 3 LEU HB3 H 1 1.749 0.005 . . . . . A 3 LEU HB3 . 30190 1
11 . 1 1 3 3 LEU HG H 1 1.565 0.004 . . . . . A 3 LEU HG . 30190 1
12 . 1 1 3 3 LEU HD11 H 1 0.947 0.002 . . . . . A 3 LEU HD11 . 30190 1
13 . 1 1 3 3 LEU HD12 H 1 0.947 0.002 . . . . . A 3 LEU HD12 . 30190 1
14 . 1 1 3 3 LEU HD13 H 1 0.947 0.002 . . . . . A 3 LEU HD13 . 30190 1
15 . 1 1 3 3 LEU HD21 H 1 0.947 0.002 . . . . . A 3 LEU HD21 . 30190 1
16 . 1 1 3 3 LEU HD22 H 1 0.947 0.002 . . . . . A 3 LEU HD22 . 30190 1
17 . 1 1 3 3 LEU HD23 H 1 0.947 0.002 . . . . . A 3 LEU HD23 . 30190 1
18 . 1 1 3 3 LEU CA C 13 54.436 0.000 . . . . . A 3 LEU CA . 30190 1
19 . 1 1 3 3 LEU CB C 13 44.629 0.001 . . . . . A 3 LEU CB . 30190 1
20 . 1 1 3 3 LEU CG C 13 26.174 0.000 . . . . . A 3 LEU CG . 30190 1
21 . 1 1 3 3 LEU CD1 C 13 26.153 0.000 . . . . . A 3 LEU CD1 . 30190 1
22 . 1 1 3 3 LEU CD2 C 13 26.153 0.000 . . . . . A 3 LEU CD2 . 30190 1
23 . 1 1 3 3 LEU N N 15 121.999 0.000 . . . . . A 3 LEU N . 30190 1
24 . 1 1 4 4 GLY H H 1 7.914 0.005 . . . . . A 4 GLY H . 30190 1
25 . 1 1 4 4 GLY HA2 H 1 4.019 0.001 . . . . . A 4 GLY HA2 . 30190 1
26 . 1 1 4 4 GLY HA3 H 1 3.527 0.005 . . . . . A 4 GLY HA3 . 30190 1
27 . 1 1 4 4 GLY CA C 13 42.879 0.015 . . . . . A 4 GLY CA . 30190 1
28 . 1 1 4 4 GLY N N 15 107.538 0.000 . . . . . A 4 GLY N . 30190 1
29 . 1 1 5 5 ILE H H 1 7.755 0.004 . . . . . A 5 ILE H . 30190 1
30 . 1 1 5 5 ILE HA H 1 3.100 0.004 . . . . . A 5 ILE HA . 30190 1
31 . 1 1 5 5 ILE HB H 1 1.107 0.006 . . . . . A 5 ILE HB . 30190 1
32 . 1 1 5 5 ILE HG12 H 1 0.731 0.005 . . . . . A 5 ILE HG12 . 30190 1
33 . 1 1 5 5 ILE HG13 H 1 0.735 0.006 . . . . . A 5 ILE HG13 . 30190 1
34 . 1 1 5 5 ILE HG21 H 1 0.549 0.006 . . . . . A 5 ILE HG21 . 30190 1
35 . 1 1 5 5 ILE HG22 H 1 0.549 0.006 . . . . . A 5 ILE HG22 . 30190 1
36 . 1 1 5 5 ILE HG23 H 1 0.549 0.006 . . . . . A 5 ILE HG23 . 30190 1
37 . 1 1 5 5 ILE HD11 H 1 -0.189 0.008 . . . . . A 5 ILE HD11 . 30190 1
38 . 1 1 5 5 ILE HD12 H 1 -0.189 0.008 . . . . . A 5 ILE HD12 . 30190 1
39 . 1 1 5 5 ILE HD13 H 1 -0.189 0.008 . . . . . A 5 ILE HD13 . 30190 1
40 . 1 1 5 5 ILE CA C 13 62.101 0.000 . . . . . A 5 ILE CA . 30190 1
41 . 1 1 5 5 ILE CB C 13 38.287 0.000 . . . . . A 5 ILE CB . 30190 1
42 . 1 1 5 5 ILE CG1 C 13 26.331 0.000 . . . . . A 5 ILE CG1 . 30190 1
43 . 1 1 5 5 ILE CG2 C 13 15.377 0.000 . . . . . A 5 ILE CG2 . 30190 1
44 . 1 1 5 5 ILE CD1 C 13 13.112 0.000 . . . . . A 5 ILE CD1 . 30190 1
45 . 1 1 5 5 ILE N N 15 117.552 0.000 . . . . . A 5 ILE N . 30190 1
46 . 1 1 6 6 TRP H H 1 8.280 0.003 . . . . . A 6 TRP H . 30190 1
47 . 1 1 6 6 TRP HA H 1 3.933 0.004 . . . . . A 6 TRP HA . 30190 1
48 . 1 1 6 6 TRP HB2 H 1 3.014 0.003 . . . . . A 6 TRP HB2 . 30190 1
49 . 1 1 6 6 TRP HB3 H 1 3.393 0.005 . . . . . A 6 TRP HB3 . 30190 1
50 . 1 1 6 6 TRP HD1 H 1 6.799 0.003 . . . . . A 6 TRP HD1 . 30190 1
51 . 1 1 6 6 TRP HE1 H 1 10.007 0.003 . . . . . A 6 TRP HE1 . 30190 1
52 . 1 1 6 6 TRP HE3 H 1 6.569 0.010 . . . . . A 6 TRP HE3 . 30190 1
53 . 1 1 6 6 TRP HZ2 H 1 7.449 0.003 . . . . . A 6 TRP HZ2 . 30190 1
54 . 1 1 6 6 TRP HZ3 H 1 6.977 0.008 . . . . . A 6 TRP HZ3 . 30190 1
55 . 1 1 6 6 TRP HH2 H 1 7.210 0.001 . . . . . A 6 TRP HH2 . 30190 1
56 . 1 1 6 6 TRP CA C 13 58.429 0.000 . . . . . A 6 TRP CA . 30190 1
57 . 1 1 6 6 TRP CB C 13 27.557 0.005 . . . . . A 6 TRP CB . 30190 1
58 . 1 1 6 6 TRP N N 15 116.811 0.000 . . . . . A 6 TRP N . 30190 1
59 . 1 1 7 7 LYS H H 1 7.632 0.004 . . . . . A 7 LYS H . 30190 1
60 . 1 1 7 7 LYS HA H 1 4.359 0.003 . . . . . A 7 LYS HA . 30190 1
61 . 1 1 7 7 LYS HB2 H 1 1.758 0.005 . . . . . A 7 LYS HB2 . 30190 1
62 . 1 1 7 7 LYS HB3 H 1 2.082 0.005 . . . . . A 7 LYS HB3 . 30190 1
63 . 1 1 7 7 LYS HG2 H 1 1.236 0.006 . . . . . A 7 LYS HG2 . 30190 1
64 . 1 1 7 7 LYS HG3 H 1 1.470 0.006 . . . . . A 7 LYS HG3 . 30190 1
65 . 1 1 7 7 LYS CA C 13 54.895 0.000 . . . . . A 7 LYS CA . 30190 1
66 . 1 1 7 7 LYS CB C 13 32.601 0.002 . . . . . A 7 LYS CB . 30190 1
67 . 1 1 7 7 LYS CG C 13 24.467 0.027 . . . . . A 7 LYS CG . 30190 1
68 . 1 1 7 7 LYS N N 15 119.740 0.000 . . . . . A 7 LYS N . 30190 1
69 . 1 1 8 8 ALA H H 1 8.365 0.002 . . . . . A 8 ALA H . 30190 1
70 . 1 1 8 8 ALA HA H 1 4.841 0.001 . . . . . A 8 ALA HA . 30190 1
71 . 1 1 8 8 ALA HB1 H 1 1.515 0.003 . . . . . A 8 ALA HB1 . 30190 1
72 . 1 1 8 8 ALA HB2 H 1 1.515 0.003 . . . . . A 8 ALA HB2 . 30190 1
73 . 1 1 8 8 ALA HB3 H 1 1.515 0.003 . . . . . A 8 ALA HB3 . 30190 1
74 . 1 1 8 8 ALA CB C 13 18.925 0.000 . . . . . A 8 ALA CB . 30190 1
75 . 1 1 8 8 ALA N N 15 123.863 0.000 . . . . . A 8 ALA N . 30190 1
76 . 1 1 9 9 CYS H H 1 8.334 0.004 . . . . . A 9 CYS H . 30190 1
77 . 1 1 9 9 CYS HA H 1 4.828 0.005 . . . . . A 9 CYS HA . 30190 1
78 . 1 1 9 9 CYS HB2 H 1 2.973 0.003 . . . . . A 9 CYS HB2 . 30190 1
79 . 1 1 9 9 CYS HB3 H 1 3.058 0.005 . . . . . A 9 CYS HB3 . 30190 1
80 . 1 1 9 9 CYS CB C 13 46.489 0.010 . . . . . A 9 CYS CB . 30190 1
81 . 1 1 9 9 CYS N N 15 116.537 0.000 . . . . . A 9 CYS N . 30190 1
82 . 1 1 10 10 ASN H H 1 9.114 0.004 . . . . . A 10 ASN H . 30190 1
83 . 1 1 10 10 ASN HA H 1 5.124 0.003 . . . . . A 10 ASN HA . 30190 1
84 . 1 1 10 10 ASN HB2 H 1 2.754 0.007 . . . . . A 10 ASN HB2 . 30190 1
85 . 1 1 10 10 ASN HB3 H 1 2.995 0.004 . . . . . A 10 ASN HB3 . 30190 1
86 . 1 1 10 10 ASN HD21 H 1 7.741 0.003 . . . . . A 10 ASN HD21 . 30190 1
87 . 1 1 10 10 ASN HD22 H 1 7.099 0.005 . . . . . A 10 ASN HD22 . 30190 1
88 . 1 1 10 10 ASN CA C 13 48.443 0.000 . . . . . A 10 ASN CA . 30190 1
89 . 1 1 10 10 ASN CB C 13 40.200 0.000 . . . . . A 10 ASN CB . 30190 1
90 . 1 1 10 10 ASN N N 15 119.173 0.000 . . . . . A 10 ASN N . 30190 1
91 . 1 1 10 10 ASN ND2 N 15 111.799 0.000 . . . . . A 10 ASN ND2 . 30190 1
92 . 1 1 11 11 PRO HB2 H 1 1.970 0.003 . . . . . A 11 PRO HB2 . 30190 1
93 . 1 1 11 11 PRO HB3 H 1 2.058 0.004 . . . . . A 11 PRO HB3 . 30190 1
94 . 1 1 11 11 PRO HG2 H 1 1.793 0.006 . . . . . A 11 PRO HG2 . 30190 1
95 . 1 1 11 11 PRO HG3 H 1 1.793 0.006 . . . . . A 11 PRO HG3 . 30190 1
96 . 1 1 11 11 PRO HD2 H 1 3.826 0.005 . . . . . A 11 PRO HD2 . 30190 1
97 . 1 1 11 11 PRO HD3 H 1 3.911 0.005 . . . . . A 11 PRO HD3 . 30190 1
98 . 1 1 11 11 PRO CB C 13 31.807 0.000 . . . . . A 11 PRO CB . 30190 1
99 . 1 1 11 11 PRO CG C 13 27.529 0.000 . . . . . A 11 PRO CG . 30190 1
100 . 1 1 11 11 PRO CD C 13 50.618 0.037 . . . . . A 11 PRO CD . 30190 1
101 . 1 1 12 12 SER H H 1 7.781 0.003 . . . . . A 12 SER H . 30190 1
102 . 1 1 12 12 SER HA H 1 4.397 0.001 . . . . . A 12 SER HA . 30190 1
103 . 1 1 12 12 SER HB2 H 1 3.794 0.007 . . . . . A 12 SER HB2 . 30190 1
104 . 1 1 12 12 SER HB3 H 1 3.907 0.003 . . . . . A 12 SER HB3 . 30190 1
105 . 1 1 12 12 SER CA C 13 59.363 0.000 . . . . . A 12 SER CA . 30190 1
106 . 1 1 12 12 SER CB C 13 63.294 0.007 . . . . . A 12 SER CB . 30190 1
107 . 1 1 12 12 SER N N 15 110.813 0.000 . . . . . A 12 SER N . 30190 1
108 . 1 1 13 13 ASN H H 1 7.575 0.002 . . . . . A 13 ASN H . 30190 1
109 . 1 1 13 13 ASN HA H 1 4.613 0.008 . . . . . A 13 ASN HA . 30190 1
110 . 1 1 13 13 ASN HB2 H 1 2.611 0.003 . . . . . A 13 ASN HB2 . 30190 1
111 . 1 1 13 13 ASN HB3 H 1 2.611 0.003 . . . . . A 13 ASN HB3 . 30190 1
112 . 1 1 13 13 ASN HD21 H 1 7.507 0.003 . . . . . A 13 ASN HD21 . 30190 1
113 . 1 1 13 13 ASN HD22 H 1 6.801 0.003 . . . . . A 13 ASN HD22 . 30190 1
114 . 1 1 13 13 ASN CA C 13 54.317 0.000 . . . . . A 13 ASN CA . 30190 1
115 . 1 1 13 13 ASN CB C 13 37.532 0.000 . . . . . A 13 ASN CB . 30190 1
116 . 1 1 13 13 ASN N N 15 120.545 0.000 . . . . . A 13 ASN N . 30190 1
117 . 1 1 13 13 ASN ND2 N 15 110.789 0.000 . . . . . A 13 ASN ND2 . 30190 1
118 . 1 1 14 14 ASP H H 1 8.648 0.003 . . . . . A 14 ASP H . 30190 1
119 . 1 1 14 14 ASP HA H 1 4.087 0.004 . . . . . A 14 ASP HA . 30190 1
120 . 1 1 14 14 ASP HB2 H 1 2.472 0.002 . . . . . A 14 ASP HB2 . 30190 1
121 . 1 1 14 14 ASP HB3 H 1 2.995 0.003 . . . . . A 14 ASP HB3 . 30190 1
122 . 1 1 14 14 ASP CA C 13 55.635 0.000 . . . . . A 14 ASP CA . 30190 1
123 . 1 1 14 14 ASP CB C 13 41.383 0.000 . . . . . A 14 ASP CB . 30190 1
124 . 1 1 14 14 ASP N N 15 123.810 0.000 . . . . . A 14 ASP N . 30190 1
125 . 1 1 15 15 GLN H H 1 8.073 0.003 . . . . . A 15 GLN H . 30190 1
126 . 1 1 15 15 GLN HA H 1 4.589 0.003 . . . . . A 15 GLN HA . 30190 1
127 . 1 1 15 15 GLN HB2 H 1 1.745 0.003 . . . . . A 15 GLN HB2 . 30190 1
128 . 1 1 15 15 GLN HB3 H 1 1.743 0.004 . . . . . A 15 GLN HB3 . 30190 1
129 . 1 1 15 15 GLN HG2 H 1 2.317 0.002 . . . . . A 15 GLN HG2 . 30190 1
130 . 1 1 15 15 GLN HG3 H 1 2.395 0.004 . . . . . A 15 GLN HG3 . 30190 1
131 . 1 1 15 15 GLN HE21 H 1 7.080 0.002 . . . . . A 15 GLN HE21 . 30190 1
132 . 1 1 15 15 GLN HE22 H 1 6.832 0.002 . . . . . A 15 GLN HE22 . 30190 1
133 . 1 1 15 15 GLN CA C 13 54.586 0.000 . . . . . A 15 GLN CA . 30190 1
134 . 1 1 15 15 GLN CB C 13 28.322 0.000 . . . . . A 15 GLN CB . 30190 1
135 . 1 1 15 15 GLN CG C 13 33.213 0.003 . . . . . A 15 GLN CG . 30190 1
136 . 1 1 15 15 GLN N N 15 127.071 0.000 . . . . . A 15 GLN N . 30190 1
137 . 1 1 16 16 CYS H H 1 9.302 0.002 . . . . . A 16 CYS H . 30190 1
138 . 1 1 16 16 CYS HA H 1 4.932 0.004 . . . . . A 16 CYS HA . 30190 1
139 . 1 1 16 16 CYS HB2 H 1 2.560 0.005 . . . . . A 16 CYS HB2 . 30190 1
140 . 1 1 16 16 CYS HB3 H 1 2.715 0.005 . . . . . A 16 CYS HB3 . 30190 1
141 . 1 1 16 16 CYS CA C 13 56.454 0.000 . . . . . A 16 CYS CA . 30190 1
142 . 1 1 16 16 CYS CB C 13 38.902 0.009 . . . . . A 16 CYS CB . 30190 1
143 . 1 1 16 16 CYS N N 15 122.577 0.000 . . . . . A 16 CYS N . 30190 1
144 . 1 1 17 17 CYS H H 1 9.264 0.004 . . . . . A 17 CYS H . 30190 1
145 . 1 1 17 17 CYS HA H 1 4.525 0.004 . . . . . A 17 CYS HA . 30190 1
146 . 1 1 17 17 CYS HB2 H 1 2.749 0.009 . . . . . A 17 CYS HB2 . 30190 1
147 . 1 1 17 17 CYS HB3 H 1 3.135 0.003 . . . . . A 17 CYS HB3 . 30190 1
148 . 1 1 17 17 CYS CA C 13 55.648 0.000 . . . . . A 17 CYS CA . 30190 1
149 . 1 1 17 17 CYS CB C 13 41.289 0.029 . . . . . A 17 CYS CB . 30190 1
150 . 1 1 17 17 CYS N N 15 119.442 0.000 . . . . . A 17 CYS N . 30190 1
151 . 1 1 18 18 LYS H H 1 8.889 0.005 . . . . . A 18 LYS H . 30190 1
152 . 1 1 18 18 LYS HA H 1 4.238 0.004 . . . . . A 18 LYS HA . 30190 1
153 . 1 1 18 18 LYS HB2 H 1 1.891 0.006 . . . . . A 18 LYS HB2 . 30190 1
154 . 1 1 18 18 LYS HB3 H 1 1.895 0.003 . . . . . A 18 LYS HB3 . 30190 1
155 . 1 1 18 18 LYS HG2 H 1 1.604 0.026 . . . . . A 18 LYS HG2 . 30190 1
156 . 1 1 18 18 LYS HG3 H 1 1.651 0.005 . . . . . A 18 LYS HG3 . 30190 1
157 . 1 1 18 18 LYS HD2 H 1 1.730 0.002 . . . . . A 18 LYS HD2 . 30190 1
158 . 1 1 18 18 LYS HD3 H 1 1.727 0.007 . . . . . A 18 LYS HD3 . 30190 1
159 . 1 1 18 18 LYS HE2 H 1 3.166 0.015 . . . . . A 18 LYS HE2 . 30190 1
160 . 1 1 18 18 LYS HE3 H 1 3.166 0.015 . . . . . A 18 LYS HE3 . 30190 1
161 . 1 1 18 18 LYS HZ1 H 1 7.181 0.004 . . . . . A 18 LYS HZ1 . 30190 1
162 . 1 1 18 18 LYS HZ2 H 1 7.181 0.004 . . . . . A 18 LYS HZ2 . 30190 1
163 . 1 1 18 18 LYS HZ3 H 1 7.181 0.004 . . . . . A 18 LYS HZ3 . 30190 1
164 . 1 1 18 18 LYS CA C 13 60.712 0.000 . . . . . A 18 LYS CA . 30190 1
165 . 1 1 18 18 LYS CB C 13 31.669 0.000 . . . . . A 18 LYS CB . 30190 1
166 . 1 1 18 18 LYS CG C 13 24.710 0.010 . . . . . A 18 LYS CG . 30190 1
167 . 1 1 18 18 LYS CD C 13 28.331 0.000 . . . . . A 18 LYS CD . 30190 1
168 . 1 1 18 18 LYS N N 15 130.714 0.000 . . . . . A 18 LYS N . 30190 1
169 . 1 1 19 19 SER H H 1 8.954 0.004 . . . . . A 19 SER H . 30190 1
170 . 1 1 19 19 SER HA H 1 4.252 0.007 . . . . . A 19 SER HA . 30190 1
171 . 1 1 19 19 SER HB2 H 1 3.918 0.005 . . . . . A 19 SER HB2 . 30190 1
172 . 1 1 19 19 SER HB3 H 1 3.991 0.003 . . . . . A 19 SER HB3 . 30190 1
173 . 1 1 19 19 SER CA C 13 58.520 0.000 . . . . . A 19 SER CA . 30190 1
174 . 1 1 19 19 SER CB C 13 61.892 0.012 . . . . . A 19 SER CB . 30190 1
175 . 1 1 20 20 SER H H 1 6.783 0.003 . . . . . A 20 SER H . 30190 1
176 . 1 1 20 20 SER HA H 1 4.677 0.004 . . . . . A 20 SER HA . 30190 1
177 . 1 1 20 20 SER HB2 H 1 3.604 0.004 . . . . . A 20 SER HB2 . 30190 1
178 . 1 1 20 20 SER HB3 H 1 4.087 0.006 . . . . . A 20 SER HB3 . 30190 1
179 . 1 1 20 20 SER CA C 13 57.607 0.000 . . . . . A 20 SER CA . 30190 1
180 . 1 1 20 20 SER CB C 13 63.678 0.013 . . . . . A 20 SER CB . 30190 1
181 . 1 1 20 20 SER N N 15 115.727 0.000 . . . . . A 20 SER N . 30190 1
182 . 1 1 21 21 LYS H H 1 7.979 0.002 . . . . . A 21 LYS H . 30190 1
183 . 1 1 21 21 LYS HA H 1 3.843 0.004 . . . . . A 21 LYS HA . 30190 1
184 . 1 1 21 21 LYS HB2 H 1 1.959 0.007 . . . . . A 21 LYS HB2 . 30190 1
185 . 1 1 21 21 LYS HB3 H 1 2.171 0.007 . . . . . A 21 LYS HB3 . 30190 1
186 . 1 1 21 21 LYS HG2 H 1 1.298 0.004 . . . . . A 21 LYS HG2 . 30190 1
187 . 1 1 21 21 LYS HG3 H 1 1.362 0.008 . . . . . A 21 LYS HG3 . 30190 1
188 . 1 1 21 21 LYS HD2 H 1 1.683 0.007 . . . . . A 21 LYS HD2 . 30190 1
189 . 1 1 21 21 LYS HD3 H 1 1.679 0.001 . . . . . A 21 LYS HD3 . 30190 1
190 . 1 1 21 21 LYS CA C 13 57.058 0.000 . . . . . A 21 LYS CA . 30190 1
191 . 1 1 21 21 LYS CB C 13 28.312 0.007 . . . . . A 21 LYS CB . 30190 1
192 . 1 1 21 21 LYS CG C 13 24.983 0.000 . . . . . A 21 LYS CG . 30190 1
193 . 1 1 21 21 LYS N N 15 114.305 0.000 . . . . . A 21 LYS N . 30190 1
194 . 1 1 22 22 LEU H H 1 6.960 0.004 . . . . . A 22 LEU H . 30190 1
195 . 1 1 22 22 LEU HA H 1 5.055 0.005 . . . . . A 22 LEU HA . 30190 1
196 . 1 1 22 22 LEU HB2 H 1 0.737 0.008 . . . . . A 22 LEU HB2 . 30190 1
197 . 1 1 22 22 LEU HB3 H 1 1.699 0.007 . . . . . A 22 LEU HB3 . 30190 1
198 . 1 1 22 22 LEU HG H 1 0.741 0.009 . . . . . A 22 LEU HG . 30190 1
199 . 1 1 22 22 LEU HD11 H 1 1.362 0.007 . . . . . A 22 LEU HD11 . 30190 1
200 . 1 1 22 22 LEU HD12 H 1 1.362 0.007 . . . . . A 22 LEU HD12 . 30190 1
201 . 1 1 22 22 LEU HD13 H 1 1.362 0.007 . . . . . A 22 LEU HD13 . 30190 1
202 . 1 1 22 22 LEU HD21 H 1 0.158 0.006 . . . . . A 22 LEU HD21 . 30190 1
203 . 1 1 22 22 LEU HD22 H 1 0.158 0.006 . . . . . A 22 LEU HD22 . 30190 1
204 . 1 1 22 22 LEU HD23 H 1 0.158 0.006 . . . . . A 22 LEU HD23 . 30190 1
205 . 1 1 22 22 LEU CA C 13 52.790 0.000 . . . . . A 22 LEU CA . 30190 1
206 . 1 1 22 22 LEU CB C 13 45.517 0.007 . . . . . A 22 LEU CB . 30190 1
207 . 1 1 22 22 LEU CG C 13 26.746 0.000 . . . . . A 22 LEU CG . 30190 1
208 . 1 1 22 22 LEU CD1 C 13 24.687 0.000 . . . . . A 22 LEU CD1 . 30190 1
209 . 1 1 22 22 LEU CD2 C 13 23.008 0.000 . . . . . A 22 LEU CD2 . 30190 1
210 . 1 1 22 22 LEU N N 15 114.813 0.000 . . . . . A 22 LEU N . 30190 1
211 . 1 1 23 23 VAL H H 1 8.985 0.008 . . . . . A 23 VAL H . 30190 1
212 . 1 1 23 23 VAL HA H 1 4.280 0.003 . . . . . A 23 VAL HA . 30190 1
213 . 1 1 23 23 VAL HB H 1 1.841 0.006 . . . . . A 23 VAL HB . 30190 1
214 . 1 1 23 23 VAL HG11 H 1 0.840 0.004 . . . . . A 23 VAL HG11 . 30190 1
215 . 1 1 23 23 VAL HG12 H 1 0.840 0.004 . . . . . A 23 VAL HG12 . 30190 1
216 . 1 1 23 23 VAL HG13 H 1 0.840 0.004 . . . . . A 23 VAL HG13 . 30190 1
217 . 1 1 23 23 VAL HG21 H 1 0.755 0.004 . . . . . A 23 VAL HG21 . 30190 1
218 . 1 1 23 23 VAL HG22 H 1 0.755 0.004 . . . . . A 23 VAL HG22 . 30190 1
219 . 1 1 23 23 VAL HG23 H 1 0.755 0.004 . . . . . A 23 VAL HG23 . 30190 1
220 . 1 1 23 23 VAL CA C 13 59.793 0.000 . . . . . A 23 VAL CA . 30190 1
221 . 1 1 23 23 VAL CB C 13 29.934 0.000 . . . . . A 23 VAL CB . 30190 1
222 . 1 1 23 23 VAL CG1 C 13 20.910 0.000 . . . . . A 23 VAL CG1 . 30190 1
223 . 1 1 23 23 VAL CG2 C 13 20.414 0.000 . . . . . A 23 VAL CG2 . 30190 1
224 . 1 1 23 23 VAL N N 15 117.571 0.000 . . . . . A 23 VAL N . 30190 1
225 . 1 1 24 24 CYS H H 1 9.635 0.007 . . . . . A 24 CYS H . 30190 1
226 . 1 1 24 24 CYS HA H 1 4.538 0.004 . . . . . A 24 CYS HA . 30190 1
227 . 1 1 24 24 CYS HB2 H 1 2.531 0.007 . . . . . A 24 CYS HB2 . 30190 1
228 . 1 1 24 24 CYS HB3 H 1 3.137 0.005 . . . . . A 24 CYS HB3 . 30190 1
229 . 1 1 24 24 CYS CA C 13 55.348 0.000 . . . . . A 24 CYS CA . 30190 1
230 . 1 1 24 24 CYS CB C 13 37.958 0.012 . . . . . A 24 CYS CB . 30190 1
231 . 1 1 24 24 CYS N N 15 126.022 0.000 . . . . . A 24 CYS N . 30190 1
232 . 1 1 25 25 SER H H 1 7.886 0.008 . . . . . A 25 SER H . 30190 1
233 . 1 1 25 25 SER HA H 1 4.327 0.004 . . . . . A 25 SER HA . 30190 1
234 . 1 1 25 25 SER HB2 H 1 3.838 0.004 . . . . . A 25 SER HB2 . 30190 1
235 . 1 1 25 25 SER HB3 H 1 4.027 0.003 . . . . . A 25 SER HB3 . 30190 1
236 . 1 1 25 25 SER CA C 13 57.693 0.000 . . . . . A 25 SER CA . 30190 1
237 . 1 1 25 25 SER CB C 13 63.684 0.003 . . . . . A 25 SER CB . 30190 1
238 . 1 1 25 25 SER N N 15 123.741 0.000 . . . . . A 25 SER N . 30190 1
239 . 1 1 26 26 ARG H H 1 7.854 0.009 . . . . . A 26 ARG H . 30190 1
240 . 1 1 26 26 ARG HA H 1 4.149 0.003 . . . . . A 26 ARG HA . 30190 1
241 . 1 1 26 26 ARG HB2 H 1 1.675 0.006 . . . . . A 26 ARG HB2 . 30190 1
242 . 1 1 26 26 ARG HB3 H 1 1.707 0.017 . . . . . A 26 ARG HB3 . 30190 1
243 . 1 1 26 26 ARG HG2 H 1 1.371 0.003 . . . . . A 26 ARG HG2 . 30190 1
244 . 1 1 26 26 ARG HG3 H 1 1.373 0.004 . . . . . A 26 ARG HG3 . 30190 1
245 . 1 1 26 26 ARG CA C 13 57.999 0.000 . . . . . A 26 ARG CA . 30190 1
246 . 1 1 26 26 ARG CB C 13 33.338 0.012 . . . . . A 26 ARG CB . 30190 1
247 . 1 1 26 26 ARG CG C 13 27.336 0.000 . . . . . A 26 ARG CG . 30190 1
248 . 1 1 27 27 LYS H H 1 8.916 0.001 . . . . . A 27 LYS H . 30190 1
249 . 1 1 27 27 LYS HA H 1 3.832 0.001 . . . . . A 27 LYS HA . 30190 1
250 . 1 1 27 27 LYS HB2 H 1 1.837 0.002 . . . . . A 27 LYS HB2 . 30190 1
251 . 1 1 27 27 LYS HB3 H 1 1.837 0.002 . . . . . A 27 LYS HB3 . 30190 1
252 . 1 1 27 27 LYS HG2 H 1 1.606 0.001 . . . . . A 27 LYS HG2 . 30190 1
253 . 1 1 27 27 LYS HG3 H 1 1.606 0.001 . . . . . A 27 LYS HG3 . 30190 1
254 . 1 1 27 27 LYS CA C 13 58.869 0.000 . . . . . A 27 LYS CA . 30190 1
255 . 1 1 27 27 LYS CB C 13 36.102 0.000 . . . . . A 27 LYS CB . 30190 1
256 . 1 1 27 27 LYS N N 15 130.721 0.000 . . . . . A 27 LYS N . 30190 1
257 . 1 1 28 28 THR H H 1 7.355 0.005 . . . . . A 28 THR H . 30190 1
258 . 1 1 28 28 THR HA H 1 3.903 0.003 . . . . . A 28 THR HA . 30190 1
259 . 1 1 28 28 THR HB H 1 2.625 0.009 . . . . . A 28 THR HB . 30190 1
260 . 1 1 28 28 THR HG21 H 1 0.648 0.009 . . . . . A 28 THR HG21 . 30190 1
261 . 1 1 28 28 THR HG22 H 1 0.648 0.009 . . . . . A 28 THR HG22 . 30190 1
262 . 1 1 28 28 THR HG23 H 1 0.648 0.009 . . . . . A 28 THR HG23 . 30190 1
263 . 1 1 28 28 THR CA C 13 60.964 0.000 . . . . . A 28 THR CA . 30190 1
264 . 1 1 28 28 THR CB C 13 69.740 0.000 . . . . . A 28 THR CB . 30190 1
265 . 1 1 28 28 THR CG2 C 13 21.722 0.000 . . . . . A 28 THR CG2 . 30190 1
266 . 1 1 29 29 ARG H H 1 7.989 0.005 . . . . . A 29 ARG H . 30190 1
267 . 1 1 29 29 ARG HA H 1 3.739 0.007 . . . . . A 29 ARG HA . 30190 1
268 . 1 1 29 29 ARG HB2 H 1 1.232 0.011 . . . . . A 29 ARG HB2 . 30190 1
269 . 1 1 29 29 ARG HB3 H 1 1.365 0.008 . . . . . A 29 ARG HB3 . 30190 1
270 . 1 1 29 29 ARG HG2 H 1 1.983 0.007 . . . . . A 29 ARG HG2 . 30190 1
271 . 1 1 29 29 ARG HG3 H 1 2.317 0.003 . . . . . A 29 ARG HG3 . 30190 1
272 . 1 1 29 29 ARG HD2 H 1 3.157 0.009 . . . . . A 29 ARG HD2 . 30190 1
273 . 1 1 29 29 ARG HD3 H 1 3.155 0.007 . . . . . A 29 ARG HD3 . 30190 1
274 . 1 1 29 29 ARG HH11 H 1 7.268 0.001 . . . . . A 29 ARG HH11 . 30190 1
275 . 1 1 29 29 ARG HH21 H 1 7.267 0.000 . . . . . A 29 ARG HH21 . 30190 1
276 . 1 1 29 29 ARG CA C 13 57.514 0.000 . . . . . A 29 ARG CA . 30190 1
277 . 1 1 29 29 ARG CB C 13 28.218 0.017 . . . . . A 29 ARG CB . 30190 1
278 . 1 1 29 29 ARG CG C 13 26.279 0.076 . . . . . A 29 ARG CG . 30190 1
279 . 1 1 29 29 ARG CD C 13 43.743 0.000 . . . . . A 29 ARG CD . 30190 1
280 . 1 1 29 29 ARG N N 15 115.712 0.000 . . . . . A 29 ARG N . 30190 1
281 . 1 1 30 30 TRP H H 1 7.052 0.004 . . . . . A 30 TRP H . 30190 1
282 . 1 1 30 30 TRP HA H 1 5.616 0.007 . . . . . A 30 TRP HA . 30190 1
283 . 1 1 30 30 TRP HB2 H 1 2.780 0.005 . . . . . A 30 TRP HB2 . 30190 1
284 . 1 1 30 30 TRP HB3 H 1 3.144 0.006 . . . . . A 30 TRP HB3 . 30190 1
285 . 1 1 30 30 TRP HD1 H 1 6.965 0.003 . . . . . A 30 TRP HD1 . 30190 1
286 . 1 1 30 30 TRP HE1 H 1 10.267 0.003 . . . . . A 30 TRP HE1 . 30190 1
287 . 1 1 30 30 TRP HE3 H 1 6.558 0.006 . . . . . A 30 TRP HE3 . 30190 1
288 . 1 1 30 30 TRP HZ2 H 1 7.527 0.002 . . . . . A 30 TRP HZ2 . 30190 1
289 . 1 1 30 30 TRP HZ3 H 1 7.604 0.001 . . . . . A 30 TRP HZ3 . 30190 1
290 . 1 1 30 30 TRP HH2 H 1 7.216 0.003 . . . . . A 30 TRP HH2 . 30190 1
291 . 1 1 30 30 TRP CA C 13 55.123 0.000 . . . . . A 30 TRP CA . 30190 1
292 . 1 1 30 30 TRP CB C 13 31.410 0.021 . . . . . A 30 TRP CB . 30190 1
293 . 1 1 30 30 TRP N N 15 112.383 0.000 . . . . . A 30 TRP N . 30190 1
294 . 1 1 31 31 CYS H H 1 8.675 0.003 . . . . . A 31 CYS H . 30190 1
295 . 1 1 31 31 CYS HA H 1 4.866 0.003 . . . . . A 31 CYS HA . 30190 1
296 . 1 1 31 31 CYS HB2 H 1 2.438 0.006 . . . . . A 31 CYS HB2 . 30190 1
297 . 1 1 31 31 CYS HB3 H 1 3.149 0.004 . . . . . A 31 CYS HB3 . 30190 1
298 . 1 1 31 31 CYS CB C 13 39.700 0.000 . . . . . A 31 CYS CB . 30190 1
299 . 1 1 31 31 CYS N N 15 119.681 0.000 . . . . . A 31 CYS N . 30190 1
300 . 1 1 32 32 LYS H H 1 9.334 0.007 . . . . . A 32 LYS H . 30190 1
301 . 1 1 32 32 LYS HA H 1 4.470 0.006 . . . . . A 32 LYS HA . 30190 1
302 . 1 1 32 32 LYS HB2 H 1 1.861 0.002 . . . . . A 32 LYS HB2 . 30190 1
303 . 1 1 32 32 LYS HB3 H 1 1.857 0.004 . . . . . A 32 LYS HB3 . 30190 1
304 . 1 1 32 32 LYS HG2 H 1 1.389 0.010 . . . . . A 32 LYS HG2 . 30190 1
305 . 1 1 32 32 LYS HG3 H 1 1.506 0.006 . . . . . A 32 LYS HG3 . 30190 1
306 . 1 1 32 32 LYS CA C 13 54.193 0.000 . . . . . A 32 LYS CA . 30190 1
307 . 1 1 32 32 LYS CB C 13 36.158 0.000 . . . . . A 32 LYS CB . 30190 1
308 . 1 1 32 32 LYS CG C 13 23.674 0.000 . . . . . A 32 LYS CG . 30190 1
309 . 1 1 32 32 LYS N N 15 123.811 0.000 . . . . . A 32 LYS N . 30190 1
310 . 1 1 33 33 TRP H H 1 7.622 0.005 . . . . . A 33 TRP H . 30190 1
311 . 1 1 33 33 TRP HA H 1 4.729 0.004 . . . . . A 33 TRP HA . 30190 1
312 . 1 1 33 33 TRP HB2 H 1 2.971 0.003 . . . . . A 33 TRP HB2 . 30190 1
313 . 1 1 33 33 TRP HB3 H 1 3.292 0.004 . . . . . A 33 TRP HB3 . 30190 1
314 . 1 1 33 33 TRP HD1 H 1 7.310 0.001 . . . . . A 33 TRP HD1 . 30190 1
315 . 1 1 33 33 TRP HE1 H 1 10.081 0.003 . . . . . A 33 TRP HE1 . 30190 1
316 . 1 1 33 33 TRP HZ2 H 1 7.394 0.003 . . . . . A 33 TRP HZ2 . 30190 1
317 . 1 1 33 33 TRP HZ3 H 1 7.053 0.000 . . . . . A 33 TRP HZ3 . 30190 1
318 . 1 1 33 33 TRP HH2 H 1 7.167 0.001 . . . . . A 33 TRP HH2 . 30190 1
319 . 1 1 33 33 TRP CB C 13 29.162 0.012 . . . . . A 33 TRP CB . 30190 1
320 . 1 1 33 33 TRP N N 15 121.096 0.000 . . . . . A 33 TRP N . 30190 1
321 . 1 1 34 34 GLN H H 1 8.778 0.003 . . . . . A 34 GLN H . 30190 1
322 . 1 1 34 34 GLN HA H 1 4.177 0.003 . . . . . A 34 GLN HA . 30190 1
323 . 1 1 34 34 GLN HB2 H 1 1.938 0.002 . . . . . A 34 GLN HB2 . 30190 1
324 . 1 1 34 34 GLN HB3 H 1 1.938 0.002 . . . . . A 34 GLN HB3 . 30190 1
325 . 1 1 34 34 GLN HG2 H 1 2.135 0.003 . . . . . A 34 GLN HG2 . 30190 1
326 . 1 1 34 34 GLN HG3 H 1 2.196 0.006 . . . . . A 34 GLN HG3 . 30190 1
327 . 1 1 34 34 GLN HE21 H 1 7.306 0.002 . . . . . A 34 GLN HE21 . 30190 1
328 . 1 1 34 34 GLN HE22 H 1 6.743 0.000 . . . . . A 34 GLN HE22 . 30190 1
329 . 1 1 34 34 GLN CA C 13 56.159 0.000 . . . . . A 34 GLN CA . 30190 1
330 . 1 1 34 34 GLN CB C 13 30.246 0.000 . . . . . A 34 GLN CB . 30190 1
331 . 1 1 34 34 GLN CG C 13 33.796 0.017 . . . . . A 34 GLN CG . 30190 1
332 . 1 1 34 34 GLN N N 15 125.460 0.000 . . . . . A 34 GLN N . 30190 1
333 . 1 1 35 35 ILE H H 1 7.927 0.008 . . . . . A 35 ILE H . 30190 1
334 . 1 1 35 35 ILE HA H 1 3.942 0.004 . . . . . A 35 ILE HA . 30190 1
335 . 1 1 35 35 ILE HB H 1 1.663 0.005 . . . . . A 35 ILE HB . 30190 1
336 . 1 1 35 35 ILE HG12 H 1 1.084 0.010 . . . . . A 35 ILE HG12 . 30190 1
337 . 1 1 35 35 ILE HG13 H 1 1.089 0.009 . . . . . A 35 ILE HG13 . 30190 1
338 . 1 1 35 35 ILE HG21 H 1 0.831 0.006 . . . . . A 35 ILE HG21 . 30190 1
339 . 1 1 35 35 ILE HG22 H 1 0.831 0.006 . . . . . A 35 ILE HG22 . 30190 1
340 . 1 1 35 35 ILE HG23 H 1 0.831 0.006 . . . . . A 35 ILE HG23 . 30190 1
341 . 1 1 35 35 ILE HD11 H 1 0.842 0.005 . . . . . A 35 ILE HD11 . 30190 1
342 . 1 1 35 35 ILE HD12 H 1 0.842 0.005 . . . . . A 35 ILE HD12 . 30190 1
343 . 1 1 35 35 ILE HD13 H 1 0.842 0.005 . . . . . A 35 ILE HD13 . 30190 1
344 . 1 1 35 35 ILE CA C 13 60.855 0.000 . . . . . A 35 ILE CA . 30190 1
345 . 1 1 35 35 ILE CB C 13 38.496 0.000 . . . . . A 35 ILE CB . 30190 1
346 . 1 1 35 35 ILE CG1 C 13 27.358 0.000 . . . . . A 35 ILE CG1 . 30190 1
347 . 1 1 35 35 ILE CG2 C 13 17.312 0.000 . . . . . A 35 ILE CG2 . 30190 1
348 . 1 1 35 35 ILE CD1 C 13 13.002 0.000 . . . . . A 35 ILE CD1 . 30190 1
349 . 1 1 35 35 ILE N N 15 122.343 0.000 . . . . . A 35 ILE N . 30190 1
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