data_18938
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18938
_Entry.PDB_ID 2M2Y
save_
save_delta_chem_shifts
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts
_Entity_delta_chem_shifts.Model_type single
_Entity_delta_chem_shifts.Entry_ID 18938
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 CYS HA H 2 5.160 5.160 4.653 0.507 18938
2 1 1 . 1 1 2 2 CYS CA C 2 56.212 56.212 57.874 -1.662 18938
3 1 1 . 1 1 2 2 CYS CB C 2 44.855 44.855 29.939 14.916 18938
4 1 1 . 1 1 2 2 CYS H H 2 9.120 9.120 8.442 0.678 18938
5 1 1 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.341 -0.071 18938
6 1 1 . 1 1 3 3 VAL CA C 3 61.928 61.928 61.692 0.236 18938
7 1 1 . 1 1 3 3 VAL CB C 3 33.852 33.852 33.225 0.627 18938
8 1 1 . 1 1 3 3 VAL H H 3 8.641 8.641 9.144 -0.503 18938
9 1 1 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.378 0.002 18938
10 1 1 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.666 -2.363 18938
11 1 1 . 1 1 4 4 CYS CB C 4 46.302 46.302 28.576 17.726 18938
12 1 1 . 1 1 4 4 CYS H H 4 8.982 8.982 9.029 -0.047 18938
13 1 1 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.540 -0.057 18938
14 1 1 . 1 1 5 5 ARG CA C 5 55.816 55.816 55.072 0.745 18938
15 1 1 . 1 1 5 5 ARG CB C 5 32.319 32.319 31.297 1.022 18938
16 1 1 . 1 1 5 5 ARG H H 5 8.689 8.689 8.942 -0.253 18938
17 1 1 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.009 0.012 18938
18 1 1 . 1 1 6 6 ARG CA C 6 56.806 56.806 56.917 -0.112 18938
19 1 1 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.573 0.239 18938
20 1 1 . 1 1 6 6 ARG H H 6 9.216 9.216 9.333 -0.117 18938
21 1 1 . 1 1 7 7 GLY CA C 7 45.197 45.197 44.882 0.315 18938
22 1 1 . 1 1 7 7 GLY H H 7 8.645 8.645 8.501 0.144 18938
23 1 1 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.147 0.068 18938
24 1 1 . 1 1 8 8 VAL CA C 8 62.144 62.144 62.638 -0.494 18938
25 1 1 . 1 1 8 8 VAL CB C 8 33.034 33.034 31.189 1.845 18938
26 1 1 . 1 1 8 8 VAL H H 8 7.899 7.899 7.522 0.377 18938
27 1 1 . 1 1 9 9 CYS HA H 9 5.254 5.254 5.256 -0.002 18938
28 1 1 . 1 1 9 9 CYS CA C 9 55.055 55.055 58.021 -2.966 18938
29 1 1 . 1 1 9 9 CYS CB C 9 44.978 44.978 26.892 18.087 18938
30 1 1 . 1 1 9 9 CYS H H 9 8.983 8.983 8.767 0.216 18938
31 1 1 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.761 -0.126 18938
32 1 1 . 1 1 10 10 ARG CA C 10 56.114 56.114 55.190 0.924 18938
33 1 1 . 1 1 10 10 ARG CB C 10 31.660 31.660 34.206 -2.546 18938
34 1 1 . 1 1 10 10 ARG H H 10 8.755 8.755 9.212 -0.457 18938
35 1 1 . 1 1 11 11 CYS HA H 11 5.157 5.157 4.613 0.544 18938
36 1 1 . 1 1 11 11 CYS CA C 11 55.303 55.303 58.505 -3.202 18938
37 1 1 . 1 1 11 11 CYS CB C 11 44.671 44.671 26.603 18.068 18938
38 1 1 . 1 1 11 11 CYS H H 11 8.882 8.882 8.889 -0.007 18938
39 1 1 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.209 -0.003 18938
40 1 1 . 1 1 12 12 VAL CA C 12 62.144 62.144 61.453 0.691 18938
41 1 1 . 1 1 12 12 VAL CB C 12 33.336 33.336 30.041 3.295 18938
42 1 1 . 1 1 12 12 VAL H H 12 8.356 8.356 8.723 -0.367 18938
43 1 1 . 1 1 13 13 CYS HA H 13 4.934 4.934 4.707 0.227 18938
44 1 1 . 1 1 13 13 CYS CA C 13 55.510 55.510 58.000 -2.490 18938
45 1 1 . 1 1 13 13 CYS CB C 13 44.711 44.711 28.978 15.733 18938
46 1 1 . 1 1 13 13 CYS H H 13 8.747 8.747 8.395 0.352 18938
47 1 1 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.397 -0.062 18938
48 1 1 . 1 1 14 14 ARG CA C 14 56.741 56.741 55.044 1.696 18938
49 1 1 . 1 1 14 14 ARG CB C 14 30.988 30.988 29.708 1.280 18938
50 1 1 . 1 1 14 14 ARG H H 14 8.681 8.681 8.895 -0.214 18938
51 1 1 . 1 1 15 15 ARG HA H 15 4.133 4.133 4.008 0.125 18938
52 1 1 . 1 1 15 15 ARG CA C 15 56.698 56.698 56.791 -0.093 18938
53 1 1 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.105 1.453 18938
54 1 1 . 1 1 15 15 ARG H H 15 8.754 8.754 8.884 -0.130 18938
55 1 1 . 1 1 16 16 GLY CA C 16 45.326 45.326 44.757 0.569 18938
56 1 1 . 1 1 16 16 GLY H H 16 8.435 8.435 8.704 -0.269 18938
57 1 1 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.263 -0.077 18938
58 1 1 . 1 1 17 17 VAL CA C 17 62.445 62.445 61.222 1.223 18938
59 1 1 . 1 1 17 17 VAL CB C 17 32.874 32.874 29.603 3.271 18938
60 1 1 . 1 1 17 17 VAL H H 17 7.879 7.879 7.749 0.130 18938
61 1 2 . 1 1 2 2 CYS HA H 2 5.160 5.160 5.097 0.063 18938
62 1 2 . 1 1 2 2 CYS CA C 2 56.212 56.212 57.918 -1.706 18938
63 1 2 . 1 1 2 2 CYS CB C 2 44.855 44.855 28.085 16.770 18938
64 1 2 . 1 1 2 2 CYS H H 2 9.120 9.120 8.658 0.462 18938
65 1 2 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.394 -0.124 18938
66 1 2 . 1 1 3 3 VAL CA C 3 61.928 61.928 60.986 0.942 18938
67 1 2 . 1 1 3 3 VAL CB C 3 33.852 33.852 33.660 0.192 18938
68 1 2 . 1 1 3 3 VAL H H 3 8.641 8.641 9.222 -0.581 18938
69 1 2 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.502 -0.122 18938
70 1 2 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.708 -2.405 18938
71 1 2 . 1 1 4 4 CYS CB C 4 46.302 46.302 28.158 18.144 18938
72 1 2 . 1 1 4 4 CYS H H 4 8.982 8.982 8.888 0.094 18938
73 1 2 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.546 -0.063 18938
74 1 2 . 1 1 5 5 ARG CA C 5 55.816 55.816 55.584 0.232 18938
75 1 2 . 1 1 5 5 ARG CB C 5 32.319 32.319 32.976 -0.657 18938
76 1 2 . 1 1 5 5 ARG H H 5 8.689 8.689 9.106 -0.417 18938
77 1 2 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.035 -0.014 18938
78 1 2 . 1 1 6 6 ARG CA C 6 56.806 56.806 57.301 -0.495 18938
79 1 2 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.798 0.014 18938
80 1 2 . 1 1 6 6 ARG H H 6 9.216 9.216 9.275 -0.059 18938
81 1 2 . 1 1 7 7 GLY CA C 7 45.197 45.197 44.837 0.360 18938
82 1 2 . 1 1 7 7 GLY H H 7 8.645 8.645 8.217 0.428 18938
83 1 2 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.468 -0.253 18938
84 1 2 . 1 1 8 8 VAL CA C 8 62.144 62.144 60.454 1.690 18938
85 1 2 . 1 1 8 8 VAL CB C 8 33.034 33.034 34.610 -1.576 18938
86 1 2 . 1 1 8 8 VAL H H 8 7.899 7.899 7.718 0.181 18938
87 1 2 . 1 1 9 9 CYS HA H 9 5.254 5.254 5.300 -0.046 18938
88 1 2 . 1 1 9 9 CYS CA C 9 55.055 55.055 58.101 -3.046 18938
89 1 2 . 1 1 9 9 CYS CB C 9 44.978 44.978 27.134 17.844 18938
90 1 2 . 1 1 9 9 CYS H H 9 8.983 8.983 8.795 0.188 18938
91 1 2 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.727 -0.092 18938
92 1 2 . 1 1 10 10 ARG CA C 10 56.114 56.114 54.331 1.783 18938
93 1 2 . 1 1 10 10 ARG CB C 10 31.660 31.660 32.366 -0.706 18938
94 1 2 . 1 1 10 10 ARG H H 10 8.755 8.755 9.188 -0.433 18938
95 1 2 . 1 1 11 11 CYS HA H 11 5.157 5.157 4.958 0.199 18938
96 1 2 . 1 1 11 11 CYS CA C 11 55.303 55.303 58.781 -3.478 18938
97 1 2 . 1 1 11 11 CYS CB C 11 44.671 44.671 26.663 18.008 18938
98 1 2 . 1 1 11 11 CYS H H 11 8.882 8.882 9.004 -0.122 18938
99 1 2 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.215 -0.009 18938
100 1 2 . 1 1 12 12 VAL CA C 12 62.144 62.144 62.228 -0.084 18938
101 1 2 . 1 1 12 12 VAL CB C 12 33.336 33.336 32.273 1.063 18938
102 1 2 . 1 1 12 12 VAL H H 12 8.356 8.356 8.975 -0.619 18938
103 1 2 . 1 1 13 13 CYS HA H 13 4.934 4.934 4.895 0.039 18938
104 1 2 . 1 1 13 13 CYS CA C 13 55.510 55.510 57.480 -1.970 18938
105 1 2 . 1 1 13 13 CYS CB C 13 44.711 44.711 30.691 14.020 18938
106 1 2 . 1 1 13 13 CYS H H 13 8.747 8.747 8.693 0.054 18938
107 1 2 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.500 -0.165 18938
108 1 2 . 1 1 14 14 ARG CA C 14 56.741 56.741 54.848 1.893 18938
109 1 2 . 1 1 14 14 ARG CB C 14 30.988 30.988 30.404 0.584 18938
110 1 2 . 1 1 14 14 ARG H H 14 8.681 8.681 8.445 0.236 18938
111 1 2 . 1 1 15 15 ARG HA H 15 4.133 4.133 3.970 0.163 18938
112 1 2 . 1 1 15 15 ARG CA C 15 56.698 56.698 56.583 0.115 18938
113 1 2 . 1 1 15 15 ARG CB C 15 29.558 29.558 27.941 1.617 18938
114 1 2 . 1 1 15 15 ARG H H 15 8.754 8.754 9.199 -0.445 18938
115 1 2 . 1 1 16 16 GLY CA C 16 45.326 45.326 44.744 0.582 18938
116 1 2 . 1 1 16 16 GLY H H 16 8.435 8.435 8.167 0.268 18938
117 1 2 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.193 -0.007 18938
118 1 2 . 1 1 17 17 VAL CA C 17 62.445 62.445 61.919 0.526 18938
119 1 2 . 1 1 17 17 VAL CB C 17 32.874 32.874 29.149 3.725 18938
120 1 2 . 1 1 17 17 VAL H H 17 7.879 7.879 7.905 -0.026 18938
121 1 3 . 1 1 2 2 CYS HA H 2 5.160 5.160 5.070 0.090 18938
122 1 3 . 1 1 2 2 CYS CA C 2 56.212 56.212 58.165 -1.953 18938
123 1 3 . 1 1 2 2 CYS CB C 2 44.855 44.855 27.988 16.867 18938
124 1 3 . 1 1 2 2 CYS H H 2 9.120 9.120 8.787 0.333 18938
125 1 3 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.429 -0.159 18938
126 1 3 . 1 1 3 3 VAL CA C 3 61.928 61.928 61.038 0.890 18938
127 1 3 . 1 1 3 3 VAL CB C 3 33.852 33.852 34.143 -0.291 18938
128 1 3 . 1 1 3 3 VAL H H 3 8.641 8.641 9.271 -0.630 18938
129 1 3 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.376 0.004 18938
130 1 3 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.900 -2.597 18938
131 1 3 . 1 1 4 4 CYS CB C 4 46.302 46.302 28.213 18.089 18938
132 1 3 . 1 1 4 4 CYS H H 4 8.982 8.982 9.025 -0.043 18938
133 1 3 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.540 -0.057 18938
134 1 3 . 1 1 5 5 ARG CA C 5 55.816 55.816 55.203 0.613 18938
135 1 3 . 1 1 5 5 ARG CB C 5 32.319 32.319 32.392 -0.073 18938
136 1 3 . 1 1 5 5 ARG H H 5 8.689 8.689 9.118 -0.429 18938
137 1 3 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.025 -0.004 18938
138 1 3 . 1 1 6 6 ARG CA C 6 56.806 56.806 56.748 0.058 18938
139 1 3 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.948 -0.136 18938
140 1 3 . 1 1 6 6 ARG H H 6 9.216 9.216 9.308 -0.092 18938
141 1 3 . 1 1 7 7 GLY CA C 7 45.197 45.197 44.918 0.279 18938
142 1 3 . 1 1 7 7 GLY H H 7 8.645 8.645 8.214 0.431 18938
143 1 3 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.199 0.016 18938
144 1 3 . 1 1 8 8 VAL CA C 8 62.144 62.144 61.688 0.456 18938
145 1 3 . 1 1 8 8 VAL CB C 8 33.034 33.034 31.399 1.635 18938
146 1 3 . 1 1 8 8 VAL H H 8 7.899 7.899 7.666 0.233 18938
147 1 3 . 1 1 9 9 CYS HA H 9 5.254 5.254 5.243 0.011 18938
148 1 3 . 1 1 9 9 CYS CA C 9 55.055 55.055 58.219 -3.164 18938
149 1 3 . 1 1 9 9 CYS CB C 9 44.978 44.978 27.781 17.197 18938
150 1 3 . 1 1 9 9 CYS H H 9 8.983 8.983 8.961 0.022 18938
151 1 3 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.762 -0.127 18938
152 1 3 . 1 1 10 10 ARG CA C 10 56.114 56.114 54.499 1.615 18938
153 1 3 . 1 1 10 10 ARG CB C 10 31.660 31.660 32.318 -0.658 18938
154 1 3 . 1 1 10 10 ARG H H 10 8.755 8.755 9.173 -0.418 18938
155 1 3 . 1 1 11 11 CYS HA H 11 5.157 5.157 5.548 -0.391 18938
156 1 3 . 1 1 11 11 CYS CA C 11 55.303 55.303 56.888 -1.585 18938
157 1 3 . 1 1 11 11 CYS CB C 11 44.671 44.671 30.206 14.465 18938
158 1 3 . 1 1 11 11 CYS H H 11 8.882 8.882 8.773 0.109 18938
159 1 3 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.515 -0.309 18938
160 1 3 . 1 1 12 12 VAL CA C 12 62.144 62.144 61.491 0.653 18938
161 1 3 . 1 1 12 12 VAL CB C 12 33.336 33.336 34.527 -1.191 18938
162 1 3 . 1 1 12 12 VAL H H 12 8.356 8.356 8.730 -0.374 18938
163 1 3 . 1 1 13 13 CYS HA H 13 4.934 4.934 4.646 0.288 18938
164 1 3 . 1 1 13 13 CYS CA C 13 55.510 55.510 57.446 -1.936 18938
165 1 3 . 1 1 13 13 CYS CB C 13 44.711 44.711 28.974 15.736 18938
166 1 3 . 1 1 13 13 CYS H H 13 8.747 8.747 8.434 0.313 18938
167 1 3 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.510 -0.175 18938
168 1 3 . 1 1 14 14 ARG CA C 14 56.741 56.741 54.425 2.316 18938
169 1 3 . 1 1 14 14 ARG CB C 14 30.988 30.988 29.904 1.084 18938
170 1 3 . 1 1 14 14 ARG H H 14 8.681 8.681 8.376 0.305 18938
171 1 3 . 1 1 15 15 ARG HA H 15 4.133 4.133 3.887 0.246 18938
172 1 3 . 1 1 15 15 ARG CA C 15 56.698 56.698 56.166 0.532 18938
173 1 3 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.126 1.432 18938
174 1 3 . 1 1 15 15 ARG H H 15 8.754 8.754 9.136 -0.382 18938
175 1 3 . 1 1 16 16 GLY CA C 16 45.326 45.326 44.695 0.631 18938
176 1 3 . 1 1 16 16 GLY H H 16 8.435 8.435 8.233 0.202 18938
177 1 3 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.357 -0.171 18938
178 1 3 . 1 1 17 17 VAL CA C 17 62.445 62.445 61.441 1.004 18938
179 1 3 . 1 1 17 17 VAL CB C 17 32.874 32.874 31.525 1.349 18938
180 1 3 . 1 1 17 17 VAL H H 17 7.879 7.879 7.643 0.236 18938
181 1 4 . 1 1 2 2 CYS HA H 2 5.160 5.160 4.642 0.518 18938
182 1 4 . 1 1 2 2 CYS CA C 2 56.212 56.212 58.474 -2.262 18938
183 1 4 . 1 1 2 2 CYS CB C 2 44.855 44.855 26.918 17.937 18938
184 1 4 . 1 1 2 2 CYS H H 2 9.120 9.120 8.657 0.463 18938
185 1 4 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.551 -0.281 18938
186 1 4 . 1 1 3 3 VAL CA C 3 61.928 61.928 60.679 1.249 18938
187 1 4 . 1 1 3 3 VAL CB C 3 33.852 33.852 34.786 -0.934 18938
188 1 4 . 1 1 3 3 VAL H H 3 8.641 8.641 9.135 -0.494 18938
189 1 4 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.385 -0.005 18938
190 1 4 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.660 -2.357 18938
191 1 4 . 1 1 4 4 CYS CB C 4 46.302 46.302 28.588 17.714 18938
192 1 4 . 1 1 4 4 CYS H H 4 8.982 8.982 8.959 0.023 18938
193 1 4 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.605 -0.122 18938
194 1 4 . 1 1 5 5 ARG CA C 5 55.816 55.816 54.662 1.154 18938
195 1 4 . 1 1 5 5 ARG CB C 5 32.319 32.319 31.199 1.120 18938
196 1 4 . 1 1 5 5 ARG H H 5 8.689 8.689 9.133 -0.444 18938
197 1 4 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.011 0.010 18938
198 1 4 . 1 1 6 6 ARG CA C 6 56.806 56.806 56.922 -0.116 18938
199 1 4 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.523 0.289 18938
200 1 4 . 1 1 6 6 ARG H H 6 9.216 9.216 9.380 -0.164 18938
201 1 4 . 1 1 7 7 GLY CA C 7 45.197 45.197 44.811 0.386 18938
202 1 4 . 1 1 7 7 GLY H H 7 8.645 8.645 8.426 0.219 18938
203 1 4 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.064 0.151 18938
204 1 4 . 1 1 8 8 VAL CA C 8 62.144 62.144 62.188 -0.044 18938
205 1 4 . 1 1 8 8 VAL CB C 8 33.034 33.034 31.662 1.372 18938
206 1 4 . 1 1 8 8 VAL H H 8 7.899 7.899 7.610 0.289 18938
207 1 4 . 1 1 9 9 CYS HA H 9 5.254 5.254 5.035 0.219 18938
208 1 4 . 1 1 9 9 CYS CA C 9 55.055 55.055 58.536 -3.481 18938
209 1 4 . 1 1 9 9 CYS CB C 9 44.978 44.978 26.350 18.628 18938
210 1 4 . 1 1 9 9 CYS H H 9 8.983 8.983 8.809 0.174 18938
211 1 4 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.741 -0.106 18938
212 1 4 . 1 1 10 10 ARG CA C 10 56.114 56.114 54.509 1.605 18938
213 1 4 . 1 1 10 10 ARG CB C 10 31.660 31.660 32.527 -0.867 18938
214 1 4 . 1 1 10 10 ARG H H 10 8.755 8.755 9.201 -0.446 18938
215 1 4 . 1 1 11 11 CYS HA H 11 5.157 5.157 4.767 0.390 18938
216 1 4 . 1 1 11 11 CYS CA C 11 55.303 55.303 58.156 -2.853 18938
217 1 4 . 1 1 11 11 CYS CB C 11 44.671 44.671 29.081 15.590 18938
218 1 4 . 1 1 11 11 CYS H H 11 8.882 8.882 8.824 0.058 18938
219 1 4 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.435 -0.229 18938
220 1 4 . 1 1 12 12 VAL CA C 12 62.144 62.144 61.601 0.543 18938
221 1 4 . 1 1 12 12 VAL CB C 12 33.336 33.336 33.962 -0.627 18938
222 1 4 . 1 1 12 12 VAL H H 12 8.356 8.356 8.256 0.100 18938
223 1 4 . 1 1 13 13 CYS HA H 13 4.934 4.934 5.152 -0.218 18938
224 1 4 . 1 1 13 13 CYS CA C 13 55.510 55.510 57.977 -2.467 18938
225 1 4 . 1 1 13 13 CYS CB C 13 44.711 44.711 27.856 16.855 18938
226 1 4 . 1 1 13 13 CYS H H 13 8.747 8.747 8.491 0.256 18938
227 1 4 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.530 -0.195 18938
228 1 4 . 1 1 14 14 ARG CA C 14 56.741 56.741 54.698 2.043 18938
229 1 4 . 1 1 14 14 ARG CB C 14 30.988 30.988 30.329 0.659 18938
230 1 4 . 1 1 14 14 ARG H H 14 8.681 8.681 9.087 -0.406 18938
231 1 4 . 1 1 15 15 ARG HA H 15 4.133 4.133 3.980 0.153 18938
232 1 4 . 1 1 15 15 ARG CA C 15 56.698 56.698 57.337 -0.638 18938
233 1 4 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.694 0.864 18938
234 1 4 . 1 1 15 15 ARG H H 15 8.754 8.754 9.099 -0.345 18938
235 1 4 . 1 1 16 16 GLY CA C 16 45.326 45.326 44.815 0.511 18938
236 1 4 . 1 1 16 16 GLY H H 16 8.435 8.435 8.826 -0.391 18938
237 1 4 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.333 -0.147 18938
238 1 4 . 1 1 17 17 VAL CA C 17 62.445 62.445 61.765 0.680 18938
239 1 4 . 1 1 17 17 VAL CB C 17 32.874 32.874 30.691 2.183 18938
240 1 4 . 1 1 17 17 VAL H H 17 7.879 7.879 7.580 0.299 18938
241 1 5 . 1 1 2 2 CYS HA H 2 5.160 5.160 4.683 0.477 18938
242 1 5 . 1 1 2 2 CYS CA C 2 56.212 56.212 58.159 -1.947 18938
243 1 5 . 1 1 2 2 CYS CB C 2 44.855 44.855 30.810 14.045 18938
244 1 5 . 1 1 2 2 CYS H H 2 9.120 9.120 8.343 0.777 18938
245 1 5 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.411 -0.141 18938
246 1 5 . 1 1 3 3 VAL CA C 3 61.928 61.928 61.470 0.458 18938
247 1 5 . 1 1 3 3 VAL CB C 3 33.852 33.852 33.480 0.372 18938
248 1 5 . 1 1 3 3 VAL H H 3 8.641 8.641 8.721 -0.080 18938
249 1 5 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.361 0.019 18938
250 1 5 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.641 -2.338 18938
251 1 5 . 1 1 4 4 CYS CB C 4 46.302 46.302 27.668 18.634 18938
252 1 5 . 1 1 4 4 CYS H H 4 8.982 8.982 9.106 -0.124 18938
253 1 5 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.571 -0.088 18938
254 1 5 . 1 1 5 5 ARG CA C 5 55.816 55.816 54.931 0.885 18938
255 1 5 . 1 1 5 5 ARG CB C 5 32.319 32.319 31.616 0.703 18938
256 1 5 . 1 1 5 5 ARG H H 5 8.689 8.689 9.013 -0.324 18938
257 1 5 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.000 0.021 18938
258 1 5 . 1 1 6 6 ARG CA C 6 56.806 56.806 57.138 -0.332 18938
259 1 5 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.825 -0.013 18938
260 1 5 . 1 1 6 6 ARG H H 6 9.216 9.216 9.388 -0.172 18938
261 1 5 . 1 1 7 7 GLY CA C 7 45.197 45.197 44.735 0.462 18938
262 1 5 . 1 1 7 7 GLY H H 7 8.645 8.645 8.336 0.309 18938
263 1 5 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.164 0.051 18938
264 1 5 . 1 1 8 8 VAL CA C 8 62.144 62.144 62.622 -0.478 18938
265 1 5 . 1 1 8 8 VAL CB C 8 33.034 33.034 31.454 1.579 18938
266 1 5 . 1 1 8 8 VAL H H 8 7.899 7.899 7.601 0.298 18938
267 1 5 . 1 1 9 9 CYS HA H 9 5.254 5.254 5.145 0.109 18938
268 1 5 . 1 1 9 9 CYS CA C 9 55.055 55.055 58.156 -3.101 18938
269 1 5 . 1 1 9 9 CYS CB C 9 44.978 44.978 26.650 18.328 18938
270 1 5 . 1 1 9 9 CYS H H 9 8.983 8.983 8.928 0.055 18938
271 1 5 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.718 -0.083 18938
272 1 5 . 1 1 10 10 ARG CA C 10 56.114 56.114 54.983 1.131 18938
273 1 5 . 1 1 10 10 ARG CB C 10 31.660 31.660 32.269 -0.609 18938
274 1 5 . 1 1 10 10 ARG H H 10 8.755 8.755 9.198 -0.443 18938
275 1 5 . 1 1 11 11 CYS HA H 11 5.157 5.157 4.545 0.612 18938
276 1 5 . 1 1 11 11 CYS CA C 11 55.303 55.303 58.657 -3.354 18938
277 1 5 . 1 1 11 11 CYS CB C 11 44.671 44.671 27.326 17.345 18938
278 1 5 . 1 1 11 11 CYS H H 11 8.882 8.882 9.067 -0.185 18938
279 1 5 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.120 0.086 18938
280 1 5 . 1 1 12 12 VAL CA C 12 62.144 62.144 62.480 -0.336 18938
281 1 5 . 1 1 12 12 VAL CB C 12 33.336 33.336 31.306 2.030 18938
282 1 5 . 1 1 12 12 VAL H H 12 8.356 8.356 8.181 0.175 18938
283 1 5 . 1 1 13 13 CYS HA H 13 4.934 4.934 5.044 -0.110 18938
284 1 5 . 1 1 13 13 CYS CA C 13 55.510 55.510 57.526 -2.016 18938
285 1 5 . 1 1 13 13 CYS CB C 13 44.711 44.711 29.474 15.237 18938
286 1 5 . 1 1 13 13 CYS H H 13 8.747 8.747 7.851 0.896 18938
287 1 5 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.501 -0.166 18938
288 1 5 . 1 1 14 14 ARG CA C 14 56.741 56.741 53.928 2.813 18938
289 1 5 . 1 1 14 14 ARG CB C 14 30.988 30.988 30.810 0.178 18938
290 1 5 . 1 1 14 14 ARG H H 14 8.681 8.681 8.480 0.201 18938
291 1 5 . 1 1 15 15 ARG HA H 15 4.133 4.133 3.990 0.143 18938
292 1 5 . 1 1 15 15 ARG CA C 15 56.698 56.698 57.037 -0.339 18938
293 1 5 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.769 0.789 18938
294 1 5 . 1 1 15 15 ARG H H 15 8.754 8.754 9.386 -0.632 18938
295 1 5 . 1 1 16 16 GLY CA C 16 45.326 45.326 45.022 0.304 18938
296 1 5 . 1 1 16 16 GLY H H 16 8.435 8.435 8.701 -0.266 18938
297 1 5 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.093 0.093 18938
298 1 5 . 1 1 17 17 VAL CA C 17 62.445 62.445 62.138 0.307 18938
299 1 5 . 1 1 17 17 VAL CB C 17 32.874 32.874 29.189 3.685 18938
300 1 5 . 1 1 17 17 VAL H H 17 7.879 7.879 7.698 0.181 18938
301 1 6 . 1 1 2 2 CYS HA H 2 5.160 5.160 5.091 0.069 18938
302 1 6 . 1 1 2 2 CYS CA C 2 56.212 56.212 58.311 -2.099 18938
303 1 6 . 1 1 2 2 CYS CB C 2 44.855 44.855 27.311 17.544 18938
304 1 6 . 1 1 2 2 CYS H H 2 9.120 9.120 8.576 0.544 18938
305 1 6 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.422 -0.152 18938
306 1 6 . 1 1 3 3 VAL CA C 3 61.928 61.928 61.254 0.674 18938
307 1 6 . 1 1 3 3 VAL CB C 3 33.852 33.852 35.543 -1.691 18938
308 1 6 . 1 1 3 3 VAL H H 3 8.641 8.641 9.178 -0.537 18938
309 1 6 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.670 -0.290 18938
310 1 6 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.786 -2.483 18938
311 1 6 . 1 1 4 4 CYS CB C 4 46.302 46.302 29.095 17.207 18938
312 1 6 . 1 1 4 4 CYS H H 4 8.982 8.982 8.841 0.141 18938
313 1 6 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.527 -0.044 18938
314 1 6 . 1 1 5 5 ARG CA C 5 55.816 55.816 55.854 -0.038 18938
315 1 6 . 1 1 5 5 ARG CB C 5 32.319 32.319 32.785 -0.466 18938
316 1 6 . 1 1 5 5 ARG H H 5 8.689 8.689 9.201 -0.512 18938
317 1 6 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.037 -0.016 18938
318 1 6 . 1 1 6 6 ARG CA C 6 56.806 56.806 56.931 -0.125 18938
319 1 6 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.779 0.033 18938
320 1 6 . 1 1 6 6 ARG H H 6 9.216 9.216 9.372 -0.156 18938
321 1 6 . 1 1 7 7 GLY CA C 7 45.197 45.197 44.810 0.387 18938
322 1 6 . 1 1 7 7 GLY H H 7 8.645 8.645 8.420 0.225 18938
323 1 6 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.227 -0.012 18938
324 1 6 . 1 1 8 8 VAL CA C 8 62.144 62.144 62.451 -0.307 18938
325 1 6 . 1 1 8 8 VAL CB C 8 33.034 33.034 32.208 0.827 18938
326 1 6 . 1 1 8 8 VAL H H 8 7.899 7.899 7.579 0.320 18938
327 1 6 . 1 1 9 9 CYS HA H 9 5.254 5.254 5.320 -0.066 18938
328 1 6 . 1 1 9 9 CYS CA C 9 55.055 55.055 58.104 -3.049 18938
329 1 6 . 1 1 9 9 CYS CB C 9 44.978 44.978 26.993 17.985 18938
330 1 6 . 1 1 9 9 CYS H H 9 8.983 8.983 9.068 -0.085 18938
331 1 6 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.752 -0.117 18938
332 1 6 . 1 1 10 10 ARG CA C 10 56.114 56.114 55.289 0.825 18938
333 1 6 . 1 1 10 10 ARG CB C 10 31.660 31.660 33.681 -2.021 18938
334 1 6 . 1 1 10 10 ARG H H 10 8.755 8.755 9.302 -0.547 18938
335 1 6 . 1 1 11 11 CYS HA H 11 5.157 5.157 5.333 -0.176 18938
336 1 6 . 1 1 11 11 CYS CA C 11 55.303 55.303 57.381 -2.078 18938
337 1 6 . 1 1 11 11 CYS CB C 11 44.671 44.671 28.111 16.560 18938
338 1 6 . 1 1 11 11 CYS H H 11 8.882 8.882 8.993 -0.111 18938
339 1 6 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.278 -0.072 18938
340 1 6 . 1 1 12 12 VAL CA C 12 62.144 62.144 61.906 0.238 18938
341 1 6 . 1 1 12 12 VAL CB C 12 33.336 33.336 33.086 0.250 18938
342 1 6 . 1 1 12 12 VAL H H 12 8.356 8.356 8.568 -0.212 18938
343 1 6 . 1 1 13 13 CYS HA H 13 4.934 4.934 5.248 -0.314 18938
344 1 6 . 1 1 13 13 CYS CA C 13 55.510 55.510 57.535 -2.025 18938
345 1 6 . 1 1 13 13 CYS CB C 13 44.711 44.711 30.806 13.905 18938
346 1 6 . 1 1 13 13 CYS H H 13 8.747 8.747 8.602 0.145 18938
347 1 6 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.652 -0.317 18938
348 1 6 . 1 1 14 14 ARG CA C 14 56.741 56.741 53.634 3.107 18938
349 1 6 . 1 1 14 14 ARG CB C 14 30.988 30.988 32.455 -1.467 18938
350 1 6 . 1 1 14 14 ARG H H 14 8.681 8.681 8.959 -0.278 18938
351 1 6 . 1 1 15 15 ARG HA H 15 4.133 4.133 4.226 -0.093 18938
352 1 6 . 1 1 15 15 ARG CA C 15 56.698 56.698 56.725 -0.027 18938
353 1 6 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.599 0.959 18938
354 1 6 . 1 1 15 15 ARG H H 15 8.754 8.754 8.671 0.083 18938
355 1 6 . 1 1 16 16 GLY CA C 16 45.326 45.326 45.483 -0.156 18938
356 1 6 . 1 1 16 16 GLY H H 16 8.435 8.435 8.594 -0.159 18938
357 1 6 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.431 -0.245 18938
358 1 6 . 1 1 17 17 VAL CA C 17 62.445 62.445 62.049 0.396 18938
359 1 6 . 1 1 17 17 VAL CB C 17 32.874 32.874 32.664 0.210 18938
360 1 6 . 1 1 17 17 VAL H H 17 7.879 7.879 7.733 0.146 18938
361 1 7 . 1 1 2 2 CYS HA H 2 5.160 5.160 4.814 0.346 18938
362 1 7 . 1 1 2 2 CYS CA C 2 56.212 56.212 57.925 -1.713 18938
363 1 7 . 1 1 2 2 CYS CB C 2 44.855 44.855 30.416 14.439 18938
364 1 7 . 1 1 2 2 CYS H H 2 9.120 9.120 8.561 0.559 18938
365 1 7 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.428 -0.158 18938
366 1 7 . 1 1 3 3 VAL CA C 3 61.928 61.928 61.678 0.250 18938
367 1 7 . 1 1 3 3 VAL CB C 3 33.852 33.852 33.243 0.609 18938
368 1 7 . 1 1 3 3 VAL H H 3 8.641 8.641 8.610 0.031 18938
369 1 7 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.561 -0.181 18938
370 1 7 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.579 -2.276 18938
371 1 7 . 1 1 4 4 CYS CB C 4 46.302 46.302 29.526 16.776 18938
372 1 7 . 1 1 4 4 CYS H H 4 8.982 8.982 8.979 0.003 18938
373 1 7 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.495 -0.012 18938
374 1 7 . 1 1 5 5 ARG CA C 5 55.816 55.816 55.639 0.177 18938
375 1 7 . 1 1 5 5 ARG CB C 5 32.319 32.319 32.035 0.284 18938
376 1 7 . 1 1 5 5 ARG H H 5 8.689 8.689 9.135 -0.446 18938
377 1 7 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.025 -0.004 18938
378 1 7 . 1 1 6 6 ARG CA C 6 56.806 56.806 56.199 0.607 18938
379 1 7 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.222 0.590 18938
380 1 7 . 1 1 6 6 ARG H H 6 9.216 9.216 9.329 -0.113 18938
381 1 7 . 1 1 7 7 GLY CA C 7 45.197 45.197 44.936 0.261 18938
382 1 7 . 1 1 7 7 GLY H H 7 8.645 8.645 8.631 0.014 18938
383 1 7 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.170 0.045 18938
384 1 7 . 1 1 8 8 VAL CA C 8 62.144 62.144 62.660 -0.516 18938
385 1 7 . 1 1 8 8 VAL CB C 8 33.034 33.034 31.229 1.805 18938
386 1 7 . 1 1 8 8 VAL H H 8 7.899 7.899 7.531 0.368 18938
387 1 7 . 1 1 9 9 CYS HA H 9 5.254 5.254 5.490 -0.236 18938
388 1 7 . 1 1 9 9 CYS CA C 9 55.055 55.055 57.623 -2.568 18938
389 1 7 . 1 1 9 9 CYS CB C 9 44.978 44.978 29.096 15.882 18938
390 1 7 . 1 1 9 9 CYS H H 9 8.983 8.983 8.709 0.274 18938
391 1 7 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.727 -0.092 18938
392 1 7 . 1 1 10 10 ARG CA C 10 56.114 56.114 55.545 0.569 18938
393 1 7 . 1 1 10 10 ARG CB C 10 31.660 31.660 32.236 -0.576 18938
394 1 7 . 1 1 10 10 ARG H H 10 8.755 8.755 9.186 -0.431 18938
395 1 7 . 1 1 11 11 CYS HA H 11 5.157 5.157 4.556 0.601 18938
396 1 7 . 1 1 11 11 CYS CA C 11 55.303 55.303 58.590 -3.287 18938
397 1 7 . 1 1 11 11 CYS CB C 11 44.671 44.671 27.155 17.516 18938
398 1 7 . 1 1 11 11 CYS H H 11 8.882 8.882 8.808 0.074 18938
399 1 7 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.615 -0.409 18938
400 1 7 . 1 1 12 12 VAL CA C 12 62.144 62.144 61.004 1.140 18938
401 1 7 . 1 1 12 12 VAL CB C 12 33.336 33.336 33.611 -0.275 18938
402 1 7 . 1 1 12 12 VAL H H 12 8.356 8.356 8.221 0.135 18938
403 1 7 . 1 1 13 13 CYS HA H 13 4.934 4.934 4.922 0.012 18938
404 1 7 . 1 1 13 13 CYS CA C 13 55.510 55.510 57.588 -2.078 18938
405 1 7 . 1 1 13 13 CYS CB C 13 44.711 44.711 29.502 15.209 18938
406 1 7 . 1 1 13 13 CYS H H 13 8.747 8.747 8.670 0.077 18938
407 1 7 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.530 -0.195 18938
408 1 7 . 1 1 14 14 ARG CA C 14 56.741 56.741 55.691 1.050 18938
409 1 7 . 1 1 14 14 ARG CB C 14 30.988 30.988 30.912 0.076 18938
410 1 7 . 1 1 14 14 ARG H H 14 8.681 8.681 8.776 -0.095 18938
411 1 7 . 1 1 15 15 ARG HA H 15 4.133 4.133 3.900 0.233 18938
412 1 7 . 1 1 15 15 ARG CA C 15 56.698 56.698 57.321 -0.623 18938
413 1 7 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.285 1.273 18938
414 1 7 . 1 1 15 15 ARG H H 15 8.754 8.754 9.123 -0.369 18938
415 1 7 . 1 1 16 16 GLY CA C 16 45.326 45.326 44.812 0.514 18938
416 1 7 . 1 1 16 16 GLY H H 16 8.435 8.435 8.425 0.010 18938
417 1 7 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.247 -0.061 18938
418 1 7 . 1 1 17 17 VAL CA C 17 62.445 62.445 61.660 0.785 18938
419 1 7 . 1 1 17 17 VAL CB C 17 32.874 32.874 29.296 3.578 18938
420 1 7 . 1 1 17 17 VAL H H 17 7.879 7.879 7.773 0.106 18938
421 1 8 . 1 1 2 2 CYS HA H 2 5.160 5.160 4.914 0.246 18938
422 1 8 . 1 1 2 2 CYS CA C 2 56.212 56.212 58.146 -1.934 18938
423 1 8 . 1 1 2 2 CYS CB C 2 44.855 44.855 26.676 18.179 18938
424 1 8 . 1 1 2 2 CYS H H 2 9.120 9.120 8.552 0.568 18938
425 1 8 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.442 -0.172 18938
426 1 8 . 1 1 3 3 VAL CA C 3 61.928 61.928 61.327 0.601 18938
427 1 8 . 1 1 3 3 VAL CB C 3 33.852 33.852 36.034 -2.182 18938
428 1 8 . 1 1 3 3 VAL H H 3 8.641 8.641 9.027 -0.386 18938
429 1 8 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.626 -0.246 18938
430 1 8 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.602 -2.299 18938
431 1 8 . 1 1 4 4 CYS CB C 4 46.302 46.302 28.838 17.464 18938
432 1 8 . 1 1 4 4 CYS H H 4 8.982 8.982 8.835 0.147 18938
433 1 8 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.505 -0.022 18938
434 1 8 . 1 1 5 5 ARG CA C 5 55.816 55.816 56.057 -0.241 18938
435 1 8 . 1 1 5 5 ARG CB C 5 32.319 32.319 33.170 -0.851 18938
436 1 8 . 1 1 5 5 ARG H H 5 8.689 8.689 9.177 -0.488 18938
437 1 8 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.047 -0.026 18938
438 1 8 . 1 1 6 6 ARG CA C 6 56.806 56.806 56.453 0.353 18938
439 1 8 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.423 0.389 18938
440 1 8 . 1 1 6 6 ARG H H 6 9.216 9.216 9.225 -0.009 18938
441 1 8 . 1 1 7 7 GLY CA C 7 45.197 45.197 44.877 0.320 18938
442 1 8 . 1 1 7 7 GLY H H 7 8.645 8.645 8.373 0.272 18938
443 1 8 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.477 -0.262 18938
444 1 8 . 1 1 8 8 VAL CA C 8 62.144 62.144 60.721 1.423 18938
445 1 8 . 1 1 8 8 VAL CB C 8 33.034 33.034 34.364 -1.331 18938
446 1 8 . 1 1 8 8 VAL H H 8 7.899 7.899 7.653 0.246 18938
447 1 8 . 1 1 9 9 CYS HA H 9 5.254 5.254 5.384 -0.130 18938
448 1 8 . 1 1 9 9 CYS CA C 9 55.055 55.055 58.073 -3.018 18938
449 1 8 . 1 1 9 9 CYS CB C 9 44.978 44.978 28.196 16.782 18938
450 1 8 . 1 1 9 9 CYS H H 9 8.983 8.983 8.805 0.178 18938
451 1 8 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.758 -0.123 18938
452 1 8 . 1 1 10 10 ARG CA C 10 56.114 56.114 54.553 1.561 18938
453 1 8 . 1 1 10 10 ARG CB C 10 31.660 31.660 33.217 -1.557 18938
454 1 8 . 1 1 10 10 ARG H H 10 8.755 8.755 9.244 -0.489 18938
455 1 8 . 1 1 11 11 CYS HA H 11 5.157 5.157 5.295 -0.138 18938
456 1 8 . 1 1 11 11 CYS CA C 11 55.303 55.303 56.780 -1.477 18938
457 1 8 . 1 1 11 11 CYS CB C 11 44.671 44.671 29.645 15.026 18938
458 1 8 . 1 1 11 11 CYS H H 11 8.882 8.882 8.986 -0.104 18938
459 1 8 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.548 -0.342 18938
460 1 8 . 1 1 12 12 VAL CA C 12 62.144 62.144 61.051 1.093 18938
461 1 8 . 1 1 12 12 VAL CB C 12 33.336 33.336 31.418 1.918 18938
462 1 8 . 1 1 12 12 VAL H H 12 8.356 8.356 8.191 0.165 18938
463 1 8 . 1 1 13 13 CYS HA H 13 4.934 4.934 4.825 0.109 18938
464 1 8 . 1 1 13 13 CYS CA C 13 55.510 55.510 57.813 -2.303 18938
465 1 8 . 1 1 13 13 CYS CB C 13 44.711 44.711 31.046 13.665 18938
466 1 8 . 1 1 13 13 CYS H H 13 8.747 8.747 8.449 0.298 18938
467 1 8 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.652 -0.317 18938
468 1 8 . 1 1 14 14 ARG CA C 14 56.741 56.741 53.645 3.096 18938
469 1 8 . 1 1 14 14 ARG CB C 14 30.988 30.988 31.959 -0.971 18938
470 1 8 . 1 1 14 14 ARG H H 14 8.681 8.681 8.991 -0.310 18938
471 1 8 . 1 1 15 15 ARG HA H 15 4.133 4.133 4.216 -0.083 18938
472 1 8 . 1 1 15 15 ARG CA C 15 56.698 56.698 56.704 -0.006 18938
473 1 8 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.610 0.948 18938
474 1 8 . 1 1 15 15 ARG H H 15 8.754 8.754 8.650 0.104 18938
475 1 8 . 1 1 16 16 GLY CA C 16 45.326 45.326 45.502 -0.176 18938
476 1 8 . 1 1 16 16 GLY H H 16 8.435 8.435 8.630 -0.195 18938
477 1 8 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.410 -0.224 18938
478 1 8 . 1 1 17 17 VAL CA C 17 62.445 62.445 62.263 0.182 18938
479 1 8 . 1 1 17 17 VAL CB C 17 32.874 32.874 33.777 -0.903 18938
480 1 8 . 1 1 17 17 VAL H H 17 7.879 7.879 7.703 0.176 18938
481 1 9 . 1 1 2 2 CYS HA H 2 5.160 5.160 4.939 0.221 18938
482 1 9 . 1 1 2 2 CYS CA C 2 56.212 56.212 58.061 -1.849 18938
483 1 9 . 1 1 2 2 CYS CB C 2 44.855 44.855 28.160 16.695 18938
484 1 9 . 1 1 2 2 CYS H H 2 9.120 9.120 8.613 0.507 18938
485 1 9 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.338 -0.068 18938
486 1 9 . 1 1 3 3 VAL CA C 3 61.928 61.928 61.406 0.522 18938
487 1 9 . 1 1 3 3 VAL CB C 3 33.852 33.852 32.575 1.278 18938
488 1 9 . 1 1 3 3 VAL H H 3 8.641 8.641 9.188 -0.547 18938
489 1 9 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.269 0.111 18938
490 1 9 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.522 -2.219 18938
491 1 9 . 1 1 4 4 CYS CB C 4 46.302 46.302 28.816 17.486 18938
492 1 9 . 1 1 4 4 CYS H H 4 8.982 8.982 8.867 0.115 18938
493 1 9 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.472 0.011 18938
494 1 9 . 1 1 5 5 ARG CA C 5 55.816 55.816 55.783 0.033 18938
495 1 9 . 1 1 5 5 ARG CB C 5 32.319 32.319 32.203 0.117 18938
496 1 9 . 1 1 5 5 ARG H H 5 8.689 8.689 8.716 -0.027 18938
497 1 9 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.078 -0.057 18938
498 1 9 . 1 1 6 6 ARG CA C 6 56.806 56.806 56.967 -0.161 18938
499 1 9 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.075 0.737 18938
500 1 9 . 1 1 6 6 ARG H H 6 9.216 9.216 9.202 0.014 18938
501 1 9 . 1 1 7 7 GLY CA C 7 45.197 45.197 44.921 0.276 18938
502 1 9 . 1 1 7 7 GLY H H 7 8.645 8.645 8.224 0.421 18938
503 1 9 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.227 -0.012 18938
504 1 9 . 1 1 8 8 VAL CA C 8 62.144 62.144 61.479 0.665 18938
505 1 9 . 1 1 8 8 VAL CB C 8 33.034 33.034 31.656 1.378 18938
506 1 9 . 1 1 8 8 VAL H H 8 7.899 7.899 7.603 0.296 18938
507 1 9 . 1 1 9 9 CYS HA H 9 5.254 5.254 5.110 0.144 18938
508 1 9 . 1 1 9 9 CYS CA C 9 55.055 55.055 58.211 -3.156 18938
509 1 9 . 1 1 9 9 CYS CB C 9 44.978 44.978 26.924 18.053 18938
510 1 9 . 1 1 9 9 CYS H H 9 8.983 8.983 9.031 -0.049 18938
511 1 9 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.758 -0.123 18938
512 1 9 . 1 1 10 10 ARG CA C 10 56.114 56.114 55.058 1.056 18938
513 1 9 . 1 1 10 10 ARG CB C 10 31.660 31.660 32.870 -1.210 18938
514 1 9 . 1 1 10 10 ARG H H 10 8.755 8.755 9.162 -0.407 18938
515 1 9 . 1 1 11 11 CYS HA H 11 5.157 5.157 4.555 0.602 18938
516 1 9 . 1 1 11 11 CYS CA C 11 55.303 55.303 58.448 -3.145 18938
517 1 9 . 1 1 11 11 CYS CB C 11 44.671 44.671 27.993 16.678 18938
518 1 9 . 1 1 11 11 CYS H H 11 8.882 8.882 9.026 -0.144 18938
519 1 9 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.053 0.153 18938
520 1 9 . 1 1 12 12 VAL CA C 12 62.144 62.144 62.607 -0.463 18938
521 1 9 . 1 1 12 12 VAL CB C 12 33.336 33.336 30.311 3.025 18938
522 1 9 . 1 1 12 12 VAL H H 12 8.356 8.356 8.720 -0.364 18938
523 1 9 . 1 1 13 13 CYS HA H 13 4.934 4.934 4.451 0.483 18938
524 1 9 . 1 1 13 13 CYS CA C 13 55.510 55.510 58.517 -3.007 18938
525 1 9 . 1 1 13 13 CYS CB C 13 44.711 44.711 28.745 15.966 18938
526 1 9 . 1 1 13 13 CYS H H 13 8.747 8.747 8.630 0.117 18938
527 1 9 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.431 -0.096 18938
528 1 9 . 1 1 14 14 ARG CA C 14 56.741 56.741 54.809 1.931 18938
529 1 9 . 1 1 14 14 ARG CB C 14 30.988 30.988 30.040 0.948 18938
530 1 9 . 1 1 14 14 ARG H H 14 8.681 8.681 8.499 0.182 18938
531 1 9 . 1 1 15 15 ARG HA H 15 4.133 4.133 3.925 0.208 18938
532 1 9 . 1 1 15 15 ARG CA C 15 56.698 56.698 57.344 -0.646 18938
533 1 9 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.294 1.264 18938
534 1 9 . 1 1 15 15 ARG H H 15 8.754 8.754 8.632 0.122 18938
535 1 9 . 1 1 16 16 GLY CA C 16 45.326 45.326 44.897 0.429 18938
536 1 9 . 1 1 16 16 GLY H H 16 8.435 8.435 8.345 0.090 18938
537 1 9 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.239 -0.053 18938
538 1 9 . 1 1 17 17 VAL CA C 17 62.445 62.445 62.297 0.148 18938
539 1 9 . 1 1 17 17 VAL CB C 17 32.874 32.874 30.018 2.856 18938
540 1 9 . 1 1 17 17 VAL H H 17 7.879 7.879 7.627 0.252 18938
541 1 10 . 1 1 2 2 CYS HA H 2 5.160 5.160 4.761 0.399 18938
542 1 10 . 1 1 2 2 CYS CA C 2 56.212 56.212 58.525 -2.313 18938
543 1 10 . 1 1 2 2 CYS CB C 2 44.855 44.855 26.345 18.510 18938
544 1 10 . 1 1 2 2 CYS H H 2 9.120 9.120 8.544 0.576 18938
545 1 10 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.399 -0.129 18938
546 1 10 . 1 1 3 3 VAL CA C 3 61.928 61.928 61.490 0.438 18938
547 1 10 . 1 1 3 3 VAL CB C 3 33.852 33.852 35.169 -1.317 18938
548 1 10 . 1 1 3 3 VAL H H 3 8.641 8.641 9.018 -0.377 18938
549 1 10 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.369 0.011 18938
550 1 10 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.756 -2.453 18938
551 1 10 . 1 1 4 4 CYS CB C 4 46.302 46.302 28.353 17.949 18938
552 1 10 . 1 1 4 4 CYS H H 4 8.982 8.982 8.844 0.138 18938
553 1 10 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.572 -0.089 18938
554 1 10 . 1 1 5 5 ARG CA C 5 55.816 55.816 55.183 0.633 18938
555 1 10 . 1 1 5 5 ARG CB C 5 32.319 32.319 32.077 0.242 18938
556 1 10 . 1 1 5 5 ARG H H 5 8.689 8.689 8.841 -0.152 18938
557 1 10 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.008 0.013 18938
558 1 10 . 1 1 6 6 ARG CA C 6 56.806 56.806 56.586 0.220 18938
559 1 10 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.945 -0.133 18938
560 1 10 . 1 1 6 6 ARG H H 6 9.216 9.216 9.222 -0.006 18938
561 1 10 . 1 1 7 7 GLY CA C 7 45.197 45.197 45.157 0.040 18938
562 1 10 . 1 1 7 7 GLY H H 7 8.645 8.645 8.200 0.445 18938
563 1 10 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.122 0.093 18938
564 1 10 . 1 1 8 8 VAL CA C 8 62.144 62.144 62.595 -0.451 18938
565 1 10 . 1 1 8 8 VAL CB C 8 33.034 33.034 31.125 1.909 18938
566 1 10 . 1 1 8 8 VAL H H 8 7.899 7.899 7.547 0.352 18938
567 1 10 . 1 1 9 9 CYS HA H 9 5.254 5.254 5.322 -0.068 18938
568 1 10 . 1 1 9 9 CYS CA C 9 55.055 55.055 58.350 -3.295 18938
569 1 10 . 1 1 9 9 CYS CB C 9 44.978 44.978 26.770 18.209 18938
570 1 10 . 1 1 9 9 CYS H H 9 8.983 8.983 8.627 0.356 18938
571 1 10 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.766 -0.131 18938
572 1 10 . 1 1 10 10 ARG CA C 10 56.114 56.114 54.553 1.561 18938
573 1 10 . 1 1 10 10 ARG CB C 10 31.660 31.660 33.378 -1.718 18938
574 1 10 . 1 1 10 10 ARG H H 10 8.755 8.755 9.239 -0.484 18938
575 1 10 . 1 1 11 11 CYS HA H 11 5.157 5.157 4.778 0.379 18938
576 1 10 . 1 1 11 11 CYS CA C 11 55.303 55.303 58.110 -2.807 18938
577 1 10 . 1 1 11 11 CYS CB C 11 44.671 44.671 28.682 15.989 18938
578 1 10 . 1 1 11 11 CYS H H 11 8.882 8.882 8.863 0.019 18938
579 1 10 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.092 0.114 18938
580 1 10 . 1 1 12 12 VAL CA C 12 62.144 62.144 62.223 -0.079 18938
581 1 10 . 1 1 12 12 VAL CB C 12 33.336 33.336 30.578 2.758 18938
582 1 10 . 1 1 12 12 VAL H H 12 8.356 8.356 8.508 -0.152 18938
583 1 10 . 1 1 13 13 CYS HA H 13 4.934 4.934 4.711 0.223 18938
584 1 10 . 1 1 13 13 CYS CA C 13 55.510 55.510 57.676 -2.166 18938
585 1 10 . 1 1 13 13 CYS CB C 13 44.711 44.711 29.650 15.061 18938
586 1 10 . 1 1 13 13 CYS H H 13 8.747 8.747 8.092 0.655 18938
587 1 10 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.435 -0.100 18938
588 1 10 . 1 1 14 14 ARG CA C 14 56.741 56.741 54.780 1.961 18938
589 1 10 . 1 1 14 14 ARG CB C 14 30.988 30.988 29.576 1.412 18938
590 1 10 . 1 1 14 14 ARG H H 14 8.681 8.681 8.553 0.128 18938
591 1 10 . 1 1 15 15 ARG HA H 15 4.133 4.133 4.005 0.128 18938
592 1 10 . 1 1 15 15 ARG CA C 15 56.698 56.698 57.322 -0.624 18938
593 1 10 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.859 0.699 18938
594 1 10 . 1 1 15 15 ARG H H 15 8.754 8.754 8.459 0.295 18938
595 1 10 . 1 1 16 16 GLY CA C 16 45.326 45.326 44.852 0.474 18938
596 1 10 . 1 1 16 16 GLY H H 16 8.435 8.435 8.453 -0.018 18938
597 1 10 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.188 -0.002 18938
598 1 10 . 1 1 17 17 VAL CA C 17 62.445 62.445 62.236 0.209 18938
599 1 10 . 1 1 17 17 VAL CB C 17 32.874 32.874 29.148 3.726 18938
600 1 10 . 1 1 17 17 VAL H H 17 7.879 7.879 7.655 0.224 18938
601 1 11 . 1 1 2 2 CYS HA H 2 5.160 5.160 5.161 -0.001 18938
602 1 11 . 1 1 2 2 CYS CA C 2 56.212 56.212 57.497 -1.285 18938
603 1 11 . 1 1 2 2 CYS CB C 2 44.855 44.855 28.947 15.908 18938
604 1 11 . 1 1 2 2 CYS H H 2 9.120 9.120 8.646 0.474 18938
605 1 11 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.608 -0.338 18938
606 1 11 . 1 1 3 3 VAL CA C 3 61.928 61.928 60.718 1.210 18938
607 1 11 . 1 1 3 3 VAL CB C 3 33.852 33.852 35.394 -1.542 18938
608 1 11 . 1 1 3 3 VAL H H 3 8.641 8.641 9.112 -0.471 18938
609 1 11 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.209 0.171 18938
610 1 11 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.490 -2.187 18938
611 1 11 . 1 1 4 4 CYS CB C 4 46.302 46.302 29.040 17.262 18938
612 1 11 . 1 1 4 4 CYS H H 4 8.982 8.982 8.633 0.349 18938
613 1 11 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.531 -0.048 18938
614 1 11 . 1 1 5 5 ARG CA C 5 55.816 55.816 55.347 0.469 18938
615 1 11 . 1 1 5 5 ARG CB C 5 32.319 32.319 32.179 0.140 18938
616 1 11 . 1 1 5 5 ARG H H 5 8.689 8.689 9.155 -0.466 18938
617 1 11 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.039 -0.018 18938
618 1 11 . 1 1 6 6 ARG CA C 6 56.806 56.806 56.922 -0.116 18938
619 1 11 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.772 0.040 18938
620 1 11 . 1 1 6 6 ARG H H 6 9.216 9.216 9.416 -0.200 18938
621 1 11 . 1 1 7 7 GLY CA C 7 45.197 45.197 44.824 0.373 18938
622 1 11 . 1 1 7 7 GLY H H 7 8.645 8.645 8.415 0.230 18938
623 1 11 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.198 0.017 18938
624 1 11 . 1 1 8 8 VAL CA C 8 62.144 62.144 61.573 0.571 18938
625 1 11 . 1 1 8 8 VAL CB C 8 33.034 33.034 32.457 0.577 18938
626 1 11 . 1 1 8 8 VAL H H 8 7.899 7.899 7.642 0.257 18938
627 1 11 . 1 1 9 9 CYS HA H 9 5.254 5.254 4.884 0.370 18938
628 1 11 . 1 1 9 9 CYS CA C 9 55.055 55.055 58.850 -3.795 18938
629 1 11 . 1 1 9 9 CYS CB C 9 44.978 44.978 27.327 17.651 18938
630 1 11 . 1 1 9 9 CYS H H 9 8.983 8.983 9.002 -0.019 18938
631 1 11 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.708 -0.073 18938
632 1 11 . 1 1 10 10 ARG CA C 10 56.114 56.114 54.500 1.614 18938
633 1 11 . 1 1 10 10 ARG CB C 10 31.660 31.660 32.471 -0.811 18938
634 1 11 . 1 1 10 10 ARG H H 10 8.755 8.755 9.226 -0.471 18938
635 1 11 . 1 1 11 11 CYS HA H 11 5.157 5.157 4.649 0.508 18938
636 1 11 . 1 1 11 11 CYS CA C 11 55.303 55.303 58.976 -3.673 18938
637 1 11 . 1 1 11 11 CYS CB C 11 44.671 44.671 26.034 18.637 18938
638 1 11 . 1 1 11 11 CYS H H 11 8.882 8.882 8.959 -0.077 18938
639 1 11 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.393 -0.187 18938
640 1 11 . 1 1 12 12 VAL CA C 12 62.144 62.144 62.000 0.144 18938
641 1 11 . 1 1 12 12 VAL CB C 12 33.336 33.336 33.712 -0.376 18938
642 1 11 . 1 1 12 12 VAL H H 12 8.356 8.356 8.112 0.244 18938
643 1 11 . 1 1 13 13 CYS HA H 13 4.934 4.934 4.688 0.246 18938
644 1 11 . 1 1 13 13 CYS CA C 13 55.510 55.510 57.584 -2.074 18938
645 1 11 . 1 1 13 13 CYS CB C 13 44.711 44.711 30.907 13.804 18938
646 1 11 . 1 1 13 13 CYS H H 13 8.747 8.747 8.541 0.206 18938
647 1 11 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.617 -0.282 18938
648 1 11 . 1 1 14 14 ARG CA C 14 56.741 56.741 54.641 2.100 18938
649 1 11 . 1 1 14 14 ARG CB C 14 30.988 30.988 31.880 -0.892 18938
650 1 11 . 1 1 14 14 ARG H H 14 8.681 8.681 8.801 -0.120 18938
651 1 11 . 1 1 15 15 ARG HA H 15 4.133 4.133 4.107 0.026 18938
652 1 11 . 1 1 15 15 ARG CA C 15 56.698 56.698 56.926 -0.228 18938
653 1 11 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.430 1.128 18938
654 1 11 . 1 1 15 15 ARG H H 15 8.754 8.754 8.766 -0.012 18938
655 1 11 . 1 1 16 16 GLY CA C 16 45.326 45.326 45.022 0.305 18938
656 1 11 . 1 1 16 16 GLY H H 16 8.435 8.435 8.753 -0.318 18938
657 1 11 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.376 -0.190 18938
658 1 11 . 1 1 17 17 VAL CA C 17 62.445 62.445 61.427 1.018 18938
659 1 11 . 1 1 17 17 VAL CB C 17 32.874 32.874 33.043 -0.169 18938
660 1 11 . 1 1 17 17 VAL H H 17 7.879 7.879 7.775 0.104 18938
661 1 12 . 1 1 2 2 CYS HA H 2 5.160 5.160 5.346 -0.186 18938
662 1 12 . 1 1 2 2 CYS CA C 2 56.212 56.212 57.591 -1.379 18938
663 1 12 . 1 1 2 2 CYS CB C 2 44.855 44.855 29.314 15.541 18938
664 1 12 . 1 1 2 2 CYS H H 2 9.120 9.120 8.459 0.661 18938
665 1 12 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.391 -0.121 18938
666 1 12 . 1 1 3 3 VAL CA C 3 61.928 61.928 61.159 0.769 18938
667 1 12 . 1 1 3 3 VAL CB C 3 33.852 33.852 34.588 -0.736 18938
668 1 12 . 1 1 3 3 VAL H H 3 8.641 8.641 9.216 -0.575 18938
669 1 12 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.327 0.053 18938
670 1 12 . 1 1 4 4 CYS CA C 4 55.303 55.303 58.107 -2.804 18938
671 1 12 . 1 1 4 4 CYS CB C 4 46.302 46.302 26.852 19.450 18938
672 1 12 . 1 1 4 4 CYS H H 4 8.982 8.982 8.908 0.074 18938
673 1 12 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.571 -0.088 18938
674 1 12 . 1 1 5 5 ARG CA C 5 55.816 55.816 54.148 1.668 18938
675 1 12 . 1 1 5 5 ARG CB C 5 32.319 32.319 32.466 -0.147 18938
676 1 12 . 1 1 5 5 ARG H H 5 8.689 8.689 9.078 -0.389 18938
677 1 12 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.042 -0.021 18938
678 1 12 . 1 1 6 6 ARG CA C 6 56.806 56.806 56.381 0.425 18938
679 1 12 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.621 0.191 18938
680 1 12 . 1 1 6 6 ARG H H 6 9.216 9.216 9.058 0.158 18938
681 1 12 . 1 1 7 7 GLY CA C 7 45.197 45.197 45.037 0.160 18938
682 1 12 . 1 1 7 7 GLY H H 7 8.645 8.645 8.258 0.387 18938
683 1 12 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.296 -0.081 18938
684 1 12 . 1 1 8 8 VAL CA C 8 62.144 62.144 61.208 0.936 18938
685 1 12 . 1 1 8 8 VAL CB C 8 33.034 33.034 32.653 0.381 18938
686 1 12 . 1 1 8 8 VAL H H 8 7.899 7.899 7.635 0.264 18938
687 1 12 . 1 1 9 9 CYS HA H 9 5.254 5.254 5.278 -0.024 18938
688 1 12 . 1 1 9 9 CYS CA C 9 55.055 55.055 58.035 -2.980 18938
689 1 12 . 1 1 9 9 CYS CB C 9 44.978 44.978 27.220 17.758 18938
690 1 12 . 1 1 9 9 CYS H H 9 8.983 8.983 8.930 0.053 18938
691 1 12 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.757 -0.122 18938
692 1 12 . 1 1 10 10 ARG CA C 10 56.114 56.114 54.528 1.586 18938
693 1 12 . 1 1 10 10 ARG CB C 10 31.660 31.660 33.362 -1.702 18938
694 1 12 . 1 1 10 10 ARG H H 10 8.755 8.755 8.988 -0.233 18938
695 1 12 . 1 1 11 11 CYS HA H 11 5.157 5.157 5.035 0.122 18938
696 1 12 . 1 1 11 11 CYS CA C 11 55.303 55.303 58.317 -3.014 18938
697 1 12 . 1 1 11 11 CYS CB C 11 44.671 44.671 27.127 17.544 18938
698 1 12 . 1 1 11 11 CYS H H 11 8.882 8.882 8.783 0.099 18938
699 1 12 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.108 0.098 18938
700 1 12 . 1 1 12 12 VAL CA C 12 62.144 62.144 62.872 -0.728 18938
701 1 12 . 1 1 12 12 VAL CB C 12 33.336 33.336 33.111 0.224 18938
702 1 12 . 1 1 12 12 VAL H H 12 8.356 8.356 8.193 0.163 18938
703 1 12 . 1 1 13 13 CYS HA H 13 4.934 4.934 4.816 0.118 18938
704 1 12 . 1 1 13 13 CYS CA C 13 55.510 55.510 56.788 -1.278 18938
705 1 12 . 1 1 13 13 CYS CB C 13 44.711 44.711 29.331 15.380 18938
706 1 12 . 1 1 13 13 CYS H H 13 8.747 8.747 8.494 0.253 18938
707 1 12 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.604 -0.269 18938
708 1 12 . 1 1 14 14 ARG CA C 14 56.741 56.741 53.634 3.107 18938
709 1 12 . 1 1 14 14 ARG CB C 14 30.988 30.988 32.417 -1.429 18938
710 1 12 . 1 1 14 14 ARG H H 14 8.681 8.681 8.462 0.219 18938
711 1 12 . 1 1 15 15 ARG HA H 15 4.133 4.133 4.215 -0.082 18938
712 1 12 . 1 1 15 15 ARG CA C 15 56.698 56.698 56.098 0.600 18938
713 1 12 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.033 1.525 18938
714 1 12 . 1 1 15 15 ARG H H 15 8.754 8.754 8.830 -0.076 18938
715 1 12 . 1 1 16 16 GLY CA C 16 45.326 45.326 45.707 -0.381 18938
716 1 12 . 1 1 16 16 GLY H H 16 8.435 8.435 8.643 -0.208 18938
717 1 12 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.483 -0.297 18938
718 1 12 . 1 1 17 17 VAL CA C 17 62.445 62.445 62.079 0.366 18938
719 1 12 . 1 1 17 17 VAL CB C 17 32.874 32.874 32.120 0.754 18938
720 1 12 . 1 1 17 17 VAL H H 17 7.879 7.879 7.865 0.014 18938
721 1 13 . 1 1 2 2 CYS HA H 2 5.160 5.160 4.908 0.252 18938
722 1 13 . 1 1 2 2 CYS CA C 2 56.212 56.212 57.748 -1.536 18938
723 1 13 . 1 1 2 2 CYS CB C 2 44.855 44.855 28.213 16.642 18938
724 1 13 . 1 1 2 2 CYS H H 2 9.120 9.120 8.398 0.722 18938
725 1 13 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.415 -0.145 18938
726 1 13 . 1 1 3 3 VAL CA C 3 61.928 61.928 61.191 0.737 18938
727 1 13 . 1 1 3 3 VAL CB C 3 33.852 33.852 33.779 0.073 18938
728 1 13 . 1 1 3 3 VAL H H 3 8.641 8.641 9.200 -0.559 18938
729 1 13 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.452 -0.072 18938
730 1 13 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.786 -2.483 18938
731 1 13 . 1 1 4 4 CYS CB C 4 46.302 46.302 29.081 17.221 18938
732 1 13 . 1 1 4 4 CYS H H 4 8.982 8.982 8.998 -0.016 18938
733 1 13 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.567 -0.084 18938
734 1 13 . 1 1 5 5 ARG CA C 5 55.816 55.816 55.105 0.711 18938
735 1 13 . 1 1 5 5 ARG CB C 5 32.319 32.319 31.723 0.596 18938
736 1 13 . 1 1 5 5 ARG H H 5 8.689 8.689 9.006 -0.317 18938
737 1 13 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.007 0.014 18938
738 1 13 . 1 1 6 6 ARG CA C 6 56.806 56.806 57.030 -0.224 18938
739 1 13 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.709 0.103 18938
740 1 13 . 1 1 6 6 ARG H H 6 9.216 9.216 9.341 -0.125 18938
741 1 13 . 1 1 7 7 GLY CA C 7 45.197 45.197 44.833 0.364 18938
742 1 13 . 1 1 7 7 GLY H H 7 8.645 8.645 8.407 0.238 18938
743 1 13 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.167 0.048 18938
744 1 13 . 1 1 8 8 VAL CA C 8 62.144 62.144 62.553 -0.409 18938
745 1 13 . 1 1 8 8 VAL CB C 8 33.034 33.034 31.377 1.657 18938
746 1 13 . 1 1 8 8 VAL H H 8 7.899 7.899 7.594 0.305 18938
747 1 13 . 1 1 9 9 CYS HA H 9 5.254 5.254 5.252 0.002 18938
748 1 13 . 1 1 9 9 CYS CA C 9 55.055 55.055 58.120 -3.065 18938
749 1 13 . 1 1 9 9 CYS CB C 9 44.978 44.978 26.706 18.271 18938
750 1 13 . 1 1 9 9 CYS H H 9 8.983 8.983 8.815 0.168 18938
751 1 13 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.715 -0.080 18938
752 1 13 . 1 1 10 10 ARG CA C 10 56.114 56.114 55.382 0.732 18938
753 1 13 . 1 1 10 10 ARG CB C 10 31.660 31.660 33.236 -1.577 18938
754 1 13 . 1 1 10 10 ARG H H 10 8.755 8.755 9.272 -0.517 18938
755 1 13 . 1 1 11 11 CYS HA H 11 5.157 5.157 5.026 0.131 18938
756 1 13 . 1 1 11 11 CYS CA C 11 55.303 55.303 58.071 -2.768 18938
757 1 13 . 1 1 11 11 CYS CB C 11 44.671 44.671 30.539 14.132 18938
758 1 13 . 1 1 11 11 CYS H H 11 8.882 8.882 8.993 -0.111 18938
759 1 13 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.259 -0.053 18938
760 1 13 . 1 1 12 12 VAL CA C 12 62.144 62.144 63.031 -0.887 18938
761 1 13 . 1 1 12 12 VAL CB C 12 33.336 33.336 31.201 2.135 18938
762 1 13 . 1 1 12 12 VAL H H 12 8.356 8.356 8.637 -0.281 18938
763 1 13 . 1 1 13 13 CYS HA H 13 4.934 4.934 4.837 0.097 18938
764 1 13 . 1 1 13 13 CYS CA C 13 55.510 55.510 57.056 -1.546 18938
765 1 13 . 1 1 13 13 CYS CB C 13 44.711 44.711 31.254 13.457 18938
766 1 13 . 1 1 13 13 CYS H H 13 8.747 8.747 8.473 0.274 18938
767 1 13 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.613 -0.278 18938
768 1 13 . 1 1 14 14 ARG CA C 14 56.741 56.741 53.516 3.225 18938
769 1 13 . 1 1 14 14 ARG CB C 14 30.988 30.988 31.853 -0.865 18938
770 1 13 . 1 1 14 14 ARG H H 14 8.681 8.681 8.584 0.097 18938
771 1 13 . 1 1 15 15 ARG HA H 15 4.133 4.133 4.160 -0.027 18938
772 1 13 . 1 1 15 15 ARG CA C 15 56.698 56.698 56.928 -0.230 18938
773 1 13 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.710 0.848 18938
774 1 13 . 1 1 15 15 ARG H H 15 8.754 8.754 8.852 -0.098 18938
775 1 13 . 1 1 16 16 GLY CA C 16 45.326 45.326 45.796 -0.470 18938
776 1 13 . 1 1 16 16 GLY H H 16 8.435 8.435 8.650 -0.215 18938
777 1 13 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.492 -0.306 18938
778 1 13 . 1 1 17 17 VAL CA C 17 62.445 62.445 61.617 0.828 18938
779 1 13 . 1 1 17 17 VAL CB C 17 32.874 32.874 32.211 0.663 18938
780 1 13 . 1 1 17 17 VAL H H 17 7.879 7.879 7.840 0.039 18938
781 1 14 . 1 1 2 2 CYS HA H 2 5.160 5.160 5.533 -0.373 18938
782 1 14 . 1 1 2 2 CYS CA C 2 56.212 56.212 57.600 -1.388 18938
783 1 14 . 1 1 2 2 CYS CB C 2 44.855 44.855 29.035 15.820 18938
784 1 14 . 1 1 2 2 CYS H H 2 9.120 9.120 8.336 0.784 18938
785 1 14 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.567 -0.297 18938
786 1 14 . 1 1 3 3 VAL CA C 3 61.928 61.928 61.219 0.709 18938
787 1 14 . 1 1 3 3 VAL CB C 3 33.852 33.852 36.499 -2.647 18938
788 1 14 . 1 1 3 3 VAL H H 3 8.641 8.641 8.576 0.065 18938
789 1 14 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.453 -0.073 18938
790 1 14 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.842 -2.539 18938
791 1 14 . 1 1 4 4 CYS CB C 4 46.302 46.302 27.865 18.437 18938
792 1 14 . 1 1 4 4 CYS H H 4 8.982 8.982 8.679 0.303 18938
793 1 14 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.517 -0.034 18938
794 1 14 . 1 1 5 5 ARG CA C 5 55.816 55.816 55.097 0.719 18938
795 1 14 . 1 1 5 5 ARG CB C 5 32.319 32.319 32.091 0.228 18938
796 1 14 . 1 1 5 5 ARG H H 5 8.689 8.689 8.912 -0.223 18938
797 1 14 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.033 -0.012 18938
798 1 14 . 1 1 6 6 ARG CA C 6 56.806 56.806 56.956 -0.150 18938
799 1 14 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.921 -0.109 18938
800 1 14 . 1 1 6 6 ARG H H 6 9.216 9.216 9.298 -0.082 18938
801 1 14 . 1 1 7 7 GLY CA C 7 45.197 45.197 44.835 0.362 18938
802 1 14 . 1 1 7 7 GLY H H 7 8.645 8.645 8.386 0.259 18938
803 1 14 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.169 0.046 18938
804 1 14 . 1 1 8 8 VAL CA C 8 62.144 62.144 62.447 -0.302 18938
805 1 14 . 1 1 8 8 VAL CB C 8 33.034 33.034 31.393 1.641 18938
806 1 14 . 1 1 8 8 VAL H H 8 7.899 7.899 7.548 0.351 18938
807 1 14 . 1 1 9 9 CYS HA H 9 5.254 5.254 5.110 0.144 18938
808 1 14 . 1 1 9 9 CYS CA C 9 55.055 55.055 58.386 -3.331 18938
809 1 14 . 1 1 9 9 CYS CB C 9 44.978 44.978 26.112 18.866 18938
810 1 14 . 1 1 9 9 CYS H H 9 8.983 8.983 8.827 0.156 18938
811 1 14 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.676 -0.041 18938
812 1 14 . 1 1 10 10 ARG CA C 10 56.114 56.114 54.070 2.044 18938
813 1 14 . 1 1 10 10 ARG CB C 10 31.660 31.660 30.922 0.738 18938
814 1 14 . 1 1 10 10 ARG H H 10 8.755 8.755 9.231 -0.476 18938
815 1 14 . 1 1 11 11 CYS HA H 11 5.157 5.157 4.875 0.282 18938
816 1 14 . 1 1 11 11 CYS CA C 11 55.303 55.303 58.309 -3.006 18938
817 1 14 . 1 1 11 11 CYS CB C 11 44.671 44.671 26.122 18.549 18938
818 1 14 . 1 1 11 11 CYS H H 11 8.882 8.882 8.951 -0.069 18938
819 1 14 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.124 0.082 18938
820 1 14 . 1 1 12 12 VAL CA C 12 62.144 62.144 62.803 -0.659 18938
821 1 14 . 1 1 12 12 VAL CB C 12 33.336 33.336 33.429 -0.093 18938
822 1 14 . 1 1 12 12 VAL H H 12 8.356 8.356 8.076 0.280 18938
823 1 14 . 1 1 13 13 CYS HA H 13 4.934 4.934 4.534 0.400 18938
824 1 14 . 1 1 13 13 CYS CA C 13 55.510 55.510 57.867 -2.357 18938
825 1 14 . 1 1 13 13 CYS CB C 13 44.711 44.711 28.841 15.870 18938
826 1 14 . 1 1 13 13 CYS H H 13 8.747 8.747 8.427 0.320 18938
827 1 14 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.405 -0.070 18938
828 1 14 . 1 1 14 14 ARG CA C 14 56.741 56.741 55.131 1.610 18938
829 1 14 . 1 1 14 14 ARG CB C 14 30.988 30.988 29.742 1.246 18938
830 1 14 . 1 1 14 14 ARG H H 14 8.681 8.681 8.545 0.136 18938
831 1 14 . 1 1 15 15 ARG HA H 15 4.133 4.133 3.967 0.166 18938
832 1 14 . 1 1 15 15 ARG CA C 15 56.698 56.698 57.169 -0.471 18938
833 1 14 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.584 0.974 18938
834 1 14 . 1 1 15 15 ARG H H 15 8.754 8.754 8.913 -0.159 18938
835 1 14 . 1 1 16 16 GLY CA C 16 45.326 45.326 44.929 0.397 18938
836 1 14 . 1 1 16 16 GLY H H 16 8.435 8.435 8.325 0.110 18938
837 1 14 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.416 -0.230 18938
838 1 14 . 1 1 17 17 VAL CA C 17 62.445 62.445 61.804 0.641 18938
839 1 14 . 1 1 17 17 VAL CB C 17 32.874 32.874 31.413 1.461 18938
840 1 14 . 1 1 17 17 VAL H H 17 7.879 7.879 7.541 0.338 18938
841 1 15 . 1 1 2 2 CYS HA H 2 5.160 5.160 5.026 0.134 18938
842 1 15 . 1 1 2 2 CYS CA C 2 56.212 56.212 57.825 -1.613 18938
843 1 15 . 1 1 2 2 CYS CB C 2 44.855 44.855 27.994 16.861 18938
844 1 15 . 1 1 2 2 CYS H H 2 9.120 9.120 8.481 0.639 18938
845 1 15 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.290 -0.020 18938
846 1 15 . 1 1 3 3 VAL CA C 3 61.928 61.928 61.471 0.457 18938
847 1 15 . 1 1 3 3 VAL CB C 3 33.852 33.852 31.869 1.983 18938
848 1 15 . 1 1 3 3 VAL H H 3 8.641 8.641 9.148 -0.507 18938
849 1 15 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.501 -0.121 18938
850 1 15 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.843 -2.540 18938
851 1 15 . 1 1 4 4 CYS CB C 4 46.302 46.302 27.293 19.009 18938
852 1 15 . 1 1 4 4 CYS H H 4 8.982 8.982 8.899 0.083 18938
853 1 15 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.581 -0.098 18938
854 1 15 . 1 1 5 5 ARG CA C 5 55.816 55.816 55.192 0.624 18938
855 1 15 . 1 1 5 5 ARG CB C 5 32.319 32.319 32.089 0.230 18938
856 1 15 . 1 1 5 5 ARG H H 5 8.689 8.689 9.194 -0.505 18938
857 1 15 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.006 0.015 18938
858 1 15 . 1 1 6 6 ARG CA C 6 56.806 56.806 56.345 0.461 18938
859 1 15 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.075 0.737 18938
860 1 15 . 1 1 6 6 ARG H H 6 9.216 9.216 9.204 0.011 18938
861 1 15 . 1 1 7 7 GLY CA C 7 45.197 45.197 44.714 0.483 18938
862 1 15 . 1 1 7 7 GLY H H 7 8.645 8.645 8.321 0.324 18938
863 1 15 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.384 -0.169 18938
864 1 15 . 1 1 8 8 VAL CA C 8 62.144 62.144 60.895 1.249 18938
865 1 15 . 1 1 8 8 VAL CB C 8 33.034 33.034 33.856 -0.822 18938
866 1 15 . 1 1 8 8 VAL H H 8 7.899 7.899 7.668 0.231 18938
867 1 15 . 1 1 9 9 CYS HA H 9 5.254 5.254 4.997 0.257 18938
868 1 15 . 1 1 9 9 CYS CA C 9 55.055 55.055 58.082 -3.027 18938
869 1 15 . 1 1 9 9 CYS CB C 9 44.978 44.978 26.396 18.582 18938
870 1 15 . 1 1 9 9 CYS H H 9 8.983 8.983 9.023 -0.040 18938
871 1 15 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.639 -0.004 18938
872 1 15 . 1 1 10 10 ARG CA C 10 56.114 56.114 54.301 1.813 18938
873 1 15 . 1 1 10 10 ARG CB C 10 31.660 31.660 30.620 1.040 18938
874 1 15 . 1 1 10 10 ARG H H 10 8.755 8.755 9.031 -0.276 18938
875 1 15 . 1 1 11 11 CYS HA H 11 5.157 5.157 4.785 0.372 18938
876 1 15 . 1 1 11 11 CYS CA C 11 55.303 55.303 58.821 -3.518 18938
877 1 15 . 1 1 11 11 CYS CB C 11 44.671 44.671 27.902 16.769 18938
878 1 15 . 1 1 11 11 CYS H H 11 8.882 8.882 8.910 -0.028 18938
879 1 15 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.035 0.171 18938
880 1 15 . 1 1 12 12 VAL CA C 12 62.144 62.144 63.279 -1.135 18938
881 1 15 . 1 1 12 12 VAL CB C 12 33.336 33.336 30.599 2.737 18938
882 1 15 . 1 1 12 12 VAL H H 12 8.356 8.356 8.347 0.009 18938
883 1 15 . 1 1 13 13 CYS HA H 13 4.934 4.934 4.508 0.426 18938
884 1 15 . 1 1 13 13 CYS CA C 13 55.510 55.510 57.926 -2.416 18938
885 1 15 . 1 1 13 13 CYS CB C 13 44.711 44.711 29.322 15.389 18938
886 1 15 . 1 1 13 13 CYS H H 13 8.747 8.747 8.537 0.210 18938
887 1 15 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.603 -0.268 18938
888 1 15 . 1 1 14 14 ARG CA C 14 56.741 56.741 53.101 3.640 18938
889 1 15 . 1 1 14 14 ARG CB C 14 30.988 30.988 31.691 -0.703 18938
890 1 15 . 1 1 14 14 ARG H H 14 8.681 8.681 8.537 0.144 18938
891 1 15 . 1 1 15 15 ARG HA H 15 4.133 4.133 4.140 -0.007 18938
892 1 15 . 1 1 15 15 ARG CA C 15 56.698 56.698 57.021 -0.323 18938
893 1 15 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.539 1.019 18938
894 1 15 . 1 1 15 15 ARG H H 15 8.754 8.754 8.838 -0.084 18938
895 1 15 . 1 1 16 16 GLY CA C 16 45.326 45.326 45.687 -0.361 18938
896 1 15 . 1 1 16 16 GLY H H 16 8.435 8.435 8.694 -0.259 18938
897 1 15 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.509 -0.323 18938
898 1 15 . 1 1 17 17 VAL CA C 17 62.445 62.445 61.874 0.571 18938
899 1 15 . 1 1 17 17 VAL CB C 17 32.874 32.874 31.694 1.180 18938
900 1 15 . 1 1 17 17 VAL H H 17 7.879 7.879 7.867 0.012 18938
901 1 16 . 1 1 2 2 CYS HA H 2 5.160 5.160 5.110 0.050 18938
902 1 16 . 1 1 2 2 CYS CA C 2 56.212 56.212 57.968 -1.756 18938
903 1 16 . 1 1 2 2 CYS CB C 2 44.855 44.855 27.779 17.076 18938
904 1 16 . 1 1 2 2 CYS H H 2 9.120 9.120 8.474 0.646 18938
905 1 16 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.393 -0.123 18938
906 1 16 . 1 1 3 3 VAL CA C 3 61.928 61.928 61.657 0.272 18938
907 1 16 . 1 1 3 3 VAL CB C 3 33.852 33.852 33.983 -0.130 18938
908 1 16 . 1 1 3 3 VAL H H 3 8.641 8.641 9.207 -0.566 18938
909 1 16 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.519 -0.139 18938
910 1 16 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.646 -2.343 18938
911 1 16 . 1 1 4 4 CYS CB C 4 46.302 46.302 28.708 17.594 18938
912 1 16 . 1 1 4 4 CYS H H 4 8.982 8.982 8.922 0.060 18938
913 1 16 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.527 -0.044 18938
914 1 16 . 1 1 5 5 ARG CA C 5 55.816 55.816 56.114 -0.298 18938
915 1 16 . 1 1 5 5 ARG CB C 5 32.319 32.319 33.351 -1.032 18938
916 1 16 . 1 1 5 5 ARG H H 5 8.689 8.689 9.300 -0.611 18938
917 1 16 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.050 -0.029 18938
918 1 16 . 1 1 6 6 ARG CA C 6 56.806 56.806 56.580 0.226 18938
919 1 16 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.709 0.103 18938
920 1 16 . 1 1 6 6 ARG H H 6 9.216 9.216 9.155 0.061 18938
921 1 16 . 1 1 7 7 GLY CA C 7 45.197 45.197 44.724 0.473 18938
922 1 16 . 1 1 7 7 GLY H H 7 8.645 8.645 8.166 0.479 18938
923 1 16 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.451 -0.236 18938
924 1 16 . 1 1 8 8 VAL CA C 8 62.144 62.144 61.147 0.997 18938
925 1 16 . 1 1 8 8 VAL CB C 8 33.034 33.034 34.468 -1.434 18938
926 1 16 . 1 1 8 8 VAL H H 8 7.899 7.899 7.656 0.243 18938
927 1 16 . 1 1 9 9 CYS HA H 9 5.254 5.254 5.400 -0.146 18938
928 1 16 . 1 1 9 9 CYS CA C 9 55.055 55.055 57.433 -2.378 18938
929 1 16 . 1 1 9 9 CYS CB C 9 44.978 44.978 29.763 15.215 18938
930 1 16 . 1 1 9 9 CYS H H 9 8.983 8.983 8.684 0.299 18938
931 1 16 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.746 -0.111 18938
932 1 16 . 1 1 10 10 ARG CA C 10 56.114 56.114 55.720 0.394 18938
933 1 16 . 1 1 10 10 ARG CB C 10 31.660 31.660 33.349 -1.688 18938
934 1 16 . 1 1 10 10 ARG H H 10 8.755 8.755 9.070 -0.315 18938
935 1 16 . 1 1 11 11 CYS HA H 11 5.157 5.157 4.978 0.179 18938
936 1 16 . 1 1 11 11 CYS CA C 11 55.303 55.303 57.972 -2.669 18938
937 1 16 . 1 1 11 11 CYS CB C 11 44.671 44.671 26.999 17.672 18938
938 1 16 . 1 1 11 11 CYS H H 11 8.882 8.882 8.691 0.191 18938
939 1 16 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.137 0.069 18938
940 1 16 . 1 1 12 12 VAL CA C 12 62.144 62.144 63.618 -1.474 18938
941 1 16 . 1 1 12 12 VAL CB C 12 33.336 33.336 32.877 0.459 18938
942 1 16 . 1 1 12 12 VAL H H 12 8.356 8.356 8.401 -0.045 18938
943 1 16 . 1 1 13 13 CYS HA H 13 4.934 4.934 4.904 0.030 18938
944 1 16 . 1 1 13 13 CYS CA C 13 55.510 55.510 57.059 -1.549 18938
945 1 16 . 1 1 13 13 CYS CB C 13 44.711 44.711 30.698 14.013 18938
946 1 16 . 1 1 13 13 CYS H H 13 8.747 8.747 8.457 0.290 18938
947 1 16 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.535 -0.200 18938
948 1 16 . 1 1 14 14 ARG CA C 14 56.741 56.741 54.549 2.192 18938
949 1 16 . 1 1 14 14 ARG CB C 14 30.988 30.988 29.929 1.059 18938
950 1 16 . 1 1 14 14 ARG H H 14 8.681 8.681 8.613 0.068 18938
951 1 16 . 1 1 15 15 ARG HA H 15 4.133 4.133 4.019 0.114 18938
952 1 16 . 1 1 15 15 ARG CA C 15 56.698 56.698 57.026 -0.327 18938
953 1 16 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.932 0.626 18938
954 1 16 . 1 1 15 15 ARG H H 15 8.754 8.754 9.296 -0.542 18938
955 1 16 . 1 1 16 16 GLY CA C 16 45.326 45.326 45.254 0.072 18938
956 1 16 . 1 1 16 16 GLY H H 16 8.435 8.435 8.509 -0.074 18938
957 1 16 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.385 -0.199 18938
958 1 16 . 1 1 17 17 VAL CA C 17 62.445 62.445 61.980 0.465 18938
959 1 16 . 1 1 17 17 VAL CB C 17 32.874 32.874 32.847 0.027 18938
960 1 16 . 1 1 17 17 VAL H H 17 7.879 7.879 7.716 0.163 18938
961 1 17 . 1 1 2 2 CYS HA H 2 5.160 5.160 5.171 -0.011 18938
962 1 17 . 1 1 2 2 CYS CA C 2 56.212 56.212 57.878 -1.666 18938
963 1 17 . 1 1 2 2 CYS CB C 2 44.855 44.855 27.114 17.741 18938
964 1 17 . 1 1 2 2 CYS H H 2 9.120 9.120 8.486 0.634 18938
965 1 17 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.362 -0.092 18938
966 1 17 . 1 1 3 3 VAL CA C 3 61.928 61.928 61.756 0.172 18938
967 1 17 . 1 1 3 3 VAL CB C 3 33.852 33.852 33.738 0.114 18938
968 1 17 . 1 1 3 3 VAL H H 3 8.641 8.641 8.847 -0.206 18938
969 1 17 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.560 -0.180 18938
970 1 17 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.452 -2.149 18938
971 1 17 . 1 1 4 4 CYS CB C 4 46.302 46.302 28.125 18.177 18938
972 1 17 . 1 1 4 4 CYS H H 4 8.982 8.982 8.947 0.035 18938
973 1 17 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.519 -0.036 18938
974 1 17 . 1 1 5 5 ARG CA C 5 55.816 55.816 56.110 -0.294 18938
975 1 17 . 1 1 5 5 ARG CB C 5 32.319 32.319 32.950 -0.631 18938
976 1 17 . 1 1 5 5 ARG H H 5 8.689 8.689 8.975 -0.286 18938
977 1 17 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.067 -0.046 18938
978 1 17 . 1 1 6 6 ARG CA C 6 56.806 56.806 56.872 -0.066 18938
979 1 17 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.792 0.020 18938
980 1 17 . 1 1 6 6 ARG H H 6 9.216 9.216 9.317 -0.101 18938
981 1 17 . 1 1 7 7 GLY CA C 7 45.197 45.197 44.931 0.266 18938
982 1 17 . 1 1 7 7 GLY H H 7 8.645 8.645 8.413 0.232 18938
983 1 17 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.195 0.020 18938
984 1 17 . 1 1 8 8 VAL CA C 8 62.144 62.144 62.245 -0.100 18938
985 1 17 . 1 1 8 8 VAL CB C 8 33.034 33.034 31.393 1.641 18938
986 1 17 . 1 1 8 8 VAL H H 8 7.899 7.899 7.568 0.331 18938
987 1 17 . 1 1 9 9 CYS HA H 9 5.254 5.254 4.949 0.305 18938
988 1 17 . 1 1 9 9 CYS CA C 9 55.055 55.055 58.290 -3.235 18938
989 1 17 . 1 1 9 9 CYS CB C 9 44.978 44.978 26.111 18.867 18938
990 1 17 . 1 1 9 9 CYS H H 9 8.983 8.983 8.860 0.123 18938
991 1 17 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.707 -0.072 18938
992 1 17 . 1 1 10 10 ARG CA C 10 56.114 56.114 55.161 0.953 18938
993 1 17 . 1 1 10 10 ARG CB C 10 31.660 31.660 32.084 -0.424 18938
994 1 17 . 1 1 10 10 ARG H H 10 8.755 8.755 9.164 -0.409 18938
995 1 17 . 1 1 11 11 CYS HA H 11 5.157 5.157 4.745 0.412 18938
996 1 17 . 1 1 11 11 CYS CA C 11 55.303 55.303 58.080 -2.777 18938
997 1 17 . 1 1 11 11 CYS CB C 11 44.671 44.671 27.194 17.477 18938
998 1 17 . 1 1 11 11 CYS H H 11 8.882 8.882 8.978 -0.096 18938
999 1 17 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.099 0.107 18938
1000 1 17 . 1 1 12 12 VAL CA C 12 62.144 62.144 62.727 -0.583 18938
1001 1 17 . 1 1 12 12 VAL CB C 12 33.336 33.336 31.311 2.025 18938
1002 1 17 . 1 1 12 12 VAL H H 12 8.356 8.356 8.496 -0.140 18938
1003 1 17 . 1 1 13 13 CYS HA H 13 4.934 4.934 4.842 0.092 18938
1004 1 17 . 1 1 13 13 CYS CA C 13 55.510 55.510 58.185 -2.675 18938
1005 1 17 . 1 1 13 13 CYS CB C 13 44.711 44.711 28.664 16.047 18938
1006 1 17 . 1 1 13 13 CYS H H 13 8.747 8.747 8.075 0.672 18938
1007 1 17 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.619 -0.284 18938
1008 1 17 . 1 1 14 14 ARG CA C 14 56.741 56.741 53.201 3.540 18938
1009 1 17 . 1 1 14 14 ARG CB C 14 30.988 30.988 32.447 -1.459 18938
1010 1 17 . 1 1 14 14 ARG H H 14 8.681 8.681 8.465 0.216 18938
1011 1 17 . 1 1 15 15 ARG HA H 15 4.133 4.133 4.153 -0.020 18938
1012 1 17 . 1 1 15 15 ARG CA C 15 56.698 56.698 56.982 -0.284 18938
1013 1 17 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.557 1.001 18938
1014 1 17 . 1 1 15 15 ARG H H 15 8.754 8.754 8.644 0.110 18938
1015 1 17 . 1 1 16 16 GLY CA C 16 45.326 45.326 45.218 0.108 18938
1016 1 17 . 1 1 16 16 GLY H H 16 8.435 8.435 8.667 -0.232 18938
1017 1 17 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.372 -0.186 18938
1018 1 17 . 1 1 17 17 VAL CA C 17 62.445 62.445 61.825 0.620 18938
1019 1 17 . 1 1 17 17 VAL CB C 17 32.874 32.874 31.089 1.785 18938
1020 1 17 . 1 1 17 17 VAL H H 17 7.879 7.879 7.801 0.078 18938
1021 1 18 . 1 1 2 2 CYS HA H 2 5.160 5.160 4.853 0.307 18938
1022 1 18 . 1 1 2 2 CYS CA C 2 56.212 56.212 57.842 -1.630 18938
1023 1 18 . 1 1 2 2 CYS CB C 2 44.855 44.855 29.534 15.321 18938
1024 1 18 . 1 1 2 2 CYS H H 2 9.120 9.120 8.635 0.485 18938
1025 1 18 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.482 -0.212 18938
1026 1 18 . 1 1 3 3 VAL CA C 3 61.928 61.928 61.392 0.535 18938
1027 1 18 . 1 1 3 3 VAL CB C 3 33.852 33.852 35.703 -1.851 18938
1028 1 18 . 1 1 3 3 VAL H H 3 8.641 8.641 9.220 -0.579 18938
1029 1 18 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.589 -0.209 18938
1030 1 18 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.526 -2.223 18938
1031 1 18 . 1 1 4 4 CYS CB C 4 46.302 46.302 29.776 16.526 18938
1032 1 18 . 1 1 4 4 CYS H H 4 8.982 8.982 8.737 0.245 18938
1033 1 18 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.562 -0.079 18938
1034 1 18 . 1 1 5 5 ARG CA C 5 55.816 55.816 55.682 0.134 18938
1035 1 18 . 1 1 5 5 ARG CB C 5 32.319 32.319 32.855 -0.536 18938
1036 1 18 . 1 1 5 5 ARG H H 5 8.689 8.689 8.777 -0.088 18938
1037 1 18 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.037 -0.016 18938
1038 1 18 . 1 1 6 6 ARG CA C 6 56.806 56.806 57.282 -0.476 18938
1039 1 18 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.767 0.045 18938
1040 1 18 . 1 1 6 6 ARG H H 6 9.216 9.216 9.272 -0.056 18938
1041 1 18 . 1 1 7 7 GLY CA C 7 45.197 45.197 45.076 0.121 18938
1042 1 18 . 1 1 7 7 GLY H H 7 8.645 8.645 8.228 0.417 18938
1043 1 18 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.184 0.031 18938
1044 1 18 . 1 1 8 8 VAL CA C 8 62.144 62.144 61.502 0.642 18938
1045 1 18 . 1 1 8 8 VAL CB C 8 33.034 33.034 30.988 2.046 18938
1046 1 18 . 1 1 8 8 VAL H H 8 7.899 7.899 7.811 0.088 18938
1047 1 18 . 1 1 9 9 CYS HA H 9 5.254 5.254 5.263 -0.009 18938
1048 1 18 . 1 1 9 9 CYS CA C 9 55.055 55.055 57.942 -2.887 18938
1049 1 18 . 1 1 9 9 CYS CB C 9 44.978 44.978 28.354 16.624 18938
1050 1 18 . 1 1 9 9 CYS H H 9 8.983 8.983 8.801 0.182 18938
1051 1 18 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.729 -0.094 18938
1052 1 18 . 1 1 10 10 ARG CA C 10 56.114 56.114 55.105 1.009 18938
1053 1 18 . 1 1 10 10 ARG CB C 10 31.660 31.660 34.395 -2.735 18938
1054 1 18 . 1 1 10 10 ARG H H 10 8.755 8.755 9.393 -0.638 18938
1055 1 18 . 1 1 11 11 CYS HA H 11 5.157 5.157 4.592 0.565 18938
1056 1 18 . 1 1 11 11 CYS CA C 11 55.303 55.303 57.606 -2.303 18938
1057 1 18 . 1 1 11 11 CYS CB C 11 44.671 44.671 29.065 15.606 18938
1058 1 18 . 1 1 11 11 CYS H H 11 8.882 8.882 8.834 0.048 18938
1059 1 18 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.096 0.110 18938
1060 1 18 . 1 1 12 12 VAL CA C 12 62.144 62.144 62.007 0.137 18938
1061 1 18 . 1 1 12 12 VAL CB C 12 33.336 33.336 29.945 3.391 18938
1062 1 18 . 1 1 12 12 VAL H H 12 8.356 8.356 8.276 0.080 18938
1063 1 18 . 1 1 13 13 CYS HA H 13 4.934 4.934 4.440 0.494 18938
1064 1 18 . 1 1 13 13 CYS CA C 13 55.510 55.510 58.519 -3.009 18938
1065 1 18 . 1 1 13 13 CYS CB C 13 44.711 44.711 27.865 16.846 18938
1066 1 18 . 1 1 13 13 CYS H H 13 8.747 8.747 8.065 0.682 18938
1067 1 18 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.447 -0.112 18938
1068 1 18 . 1 1 14 14 ARG CA C 14 56.741 56.741 54.544 2.196 18938
1069 1 18 . 1 1 14 14 ARG CB C 14 30.988 30.988 29.807 1.181 18938
1070 1 18 . 1 1 14 14 ARG H H 14 8.681 8.681 8.717 -0.036 18938
1071 1 18 . 1 1 15 15 ARG HA H 15 4.133 4.133 3.937 0.196 18938
1072 1 18 . 1 1 15 15 ARG CA C 15 56.698 56.698 56.991 -0.293 18938
1073 1 18 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.626 0.932 18938
1074 1 18 . 1 1 15 15 ARG H H 15 8.754 8.754 8.780 -0.026 18938
1075 1 18 . 1 1 16 16 GLY CA C 16 45.326 45.326 44.732 0.594 18938
1076 1 18 . 1 1 16 16 GLY H H 16 8.435 8.435 8.418 0.017 18938
1077 1 18 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.343 -0.157 18938
1078 1 18 . 1 1 17 17 VAL CA C 17 62.445 62.445 60.992 1.453 18938
1079 1 18 . 1 1 17 17 VAL CB C 17 32.874 32.874 29.703 3.171 18938
1080 1 18 . 1 1 17 17 VAL H H 17 7.879 7.879 7.734 0.145 18938
1081 1 19 . 1 1 2 2 CYS HA H 2 5.160 5.160 5.262 -0.102 18938
1082 1 19 . 1 1 2 2 CYS CA C 2 56.212 56.212 57.779 -1.567 18938
1083 1 19 . 1 1 2 2 CYS CB C 2 44.855 44.855 29.621 15.234 18938
1084 1 19 . 1 1 2 2 CYS H H 2 9.120 9.120 8.494 0.626 18938
1085 1 19 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.627 -0.357 18938
1086 1 19 . 1 1 3 3 VAL CA C 3 61.928 61.928 61.053 0.875 18938
1087 1 19 . 1 1 3 3 VAL CB C 3 33.852 33.852 34.554 -0.702 18938
1088 1 19 . 1 1 3 3 VAL H H 3 8.641 8.641 9.183 -0.542 18938
1089 1 19 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.544 -0.164 18938
1090 1 19 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.578 -2.275 18938
1091 1 19 . 1 1 4 4 CYS CB C 4 46.302 46.302 29.408 16.894 18938
1092 1 19 . 1 1 4 4 CYS H H 4 8.982 8.982 8.925 0.057 18938
1093 1 19 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.572 -0.089 18938
1094 1 19 . 1 1 5 5 ARG CA C 5 55.816 55.816 55.352 0.464 18938
1095 1 19 . 1 1 5 5 ARG CB C 5 32.319 32.319 31.941 0.378 18938
1096 1 19 . 1 1 5 5 ARG H H 5 8.689 8.689 8.919 -0.230 18938
1097 1 19 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.025 -0.004 18938
1098 1 19 . 1 1 6 6 ARG CA C 6 56.806 56.806 57.028 -0.222 18938
1099 1 19 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.774 0.038 18938
1100 1 19 . 1 1 6 6 ARG H H 6 9.216 9.216 9.299 -0.083 18938
1101 1 19 . 1 1 7 7 GLY CA C 7 45.197 45.197 44.842 0.355 18938
1102 1 19 . 1 1 7 7 GLY H H 7 8.645 8.645 8.402 0.243 18938
1103 1 19 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.111 0.104 18938
1104 1 19 . 1 1 8 8 VAL CA C 8 62.144 62.144 62.984 -0.840 18938
1105 1 19 . 1 1 8 8 VAL CB C 8 33.034 33.034 31.232 1.802 18938
1106 1 19 . 1 1 8 8 VAL H H 8 7.899 7.899 7.578 0.321 18938
1107 1 19 . 1 1 9 9 CYS HA H 9 5.254 5.254 5.594 -0.340 18938
1108 1 19 . 1 1 9 9 CYS CA C 9 55.055 55.055 57.831 -2.776 18938
1109 1 19 . 1 1 9 9 CYS CB C 9 44.978 44.978 28.385 16.593 18938
1110 1 19 . 1 1 9 9 CYS H H 9 8.983 8.983 8.645 0.338 18938
1111 1 19 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.772 -0.137 18938
1112 1 19 . 1 1 10 10 ARG CA C 10 56.114 56.114 54.532 1.582 18938
1113 1 19 . 1 1 10 10 ARG CB C 10 31.660 31.660 32.670 -1.010 18938
1114 1 19 . 1 1 10 10 ARG H H 10 8.755 8.755 9.196 -0.441 18938
1115 1 19 . 1 1 11 11 CYS HA H 11 5.157 5.157 4.880 0.277 18938
1116 1 19 . 1 1 11 11 CYS CA C 11 55.303 55.303 57.853 -2.550 18938
1117 1 19 . 1 1 11 11 CYS CB C 11 44.671 44.671 29.429 15.242 18938
1118 1 19 . 1 1 11 11 CYS H H 11 8.882 8.882 8.859 0.023 18938
1119 1 19 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.353 -0.147 18938
1120 1 19 . 1 1 12 12 VAL CA C 12 62.144 62.144 61.793 0.351 18938
1121 1 19 . 1 1 12 12 VAL CB C 12 33.336 33.336 34.484 -1.148 18938
1122 1 19 . 1 1 12 12 VAL H H 12 8.356 8.356 8.381 -0.025 18938
1123 1 19 . 1 1 13 13 CYS HA H 13 4.934 4.934 4.535 0.399 18938
1124 1 19 . 1 1 13 13 CYS CA C 13 55.510 55.510 57.245 -1.735 18938
1125 1 19 . 1 1 13 13 CYS CB C 13 44.711 44.711 27.507 17.204 18938
1126 1 19 . 1 1 13 13 CYS H H 13 8.747 8.747 8.590 0.157 18938
1127 1 19 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.522 -0.187 18938
1128 1 19 . 1 1 14 14 ARG CA C 14 56.741 56.741 54.505 2.236 18938
1129 1 19 . 1 1 14 14 ARG CB C 14 30.988 30.988 32.185 -1.197 18938
1130 1 19 . 1 1 14 14 ARG H H 14 8.681 8.681 8.187 0.494 18938
1131 1 19 . 1 1 15 15 ARG HA H 15 4.133 4.133 4.219 -0.086 18938
1132 1 19 . 1 1 15 15 ARG CA C 15 56.698 56.698 56.085 0.613 18938
1133 1 19 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.001 1.557 18938
1134 1 19 . 1 1 15 15 ARG H H 15 8.754 8.754 8.884 -0.130 18938
1135 1 19 . 1 1 16 16 GLY CA C 16 45.326 45.326 45.874 -0.548 18938
1136 1 19 . 1 1 16 16 GLY H H 16 8.435 8.435 8.564 -0.129 18938
1137 1 19 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.471 -0.285 18938
1138 1 19 . 1 1 17 17 VAL CA C 17 62.445 62.445 61.956 0.489 18938
1139 1 19 . 1 1 17 17 VAL CB C 17 32.874 32.874 32.368 0.506 18938
1140 1 19 . 1 1 17 17 VAL H H 17 7.879 7.879 7.745 0.134 18938
1141 1 20 . 1 1 2 2 CYS HA H 2 5.160 5.160 5.406 -0.246 18938
1142 1 20 . 1 1 2 2 CYS CA C 2 56.212 56.212 58.031 -1.819 18938
1143 1 20 . 1 1 2 2 CYS CB C 2 44.855 44.855 29.495 15.360 18938
1144 1 20 . 1 1 2 2 CYS H H 2 9.120 9.120 8.639 0.481 18938
1145 1 20 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.305 -0.035 18938
1146 1 20 . 1 1 3 3 VAL CA C 3 61.928 61.928 61.724 0.204 18938
1147 1 20 . 1 1 3 3 VAL CB C 3 33.852 33.852 32.686 1.166 18938
1148 1 20 . 1 1 3 3 VAL H H 3 8.641 8.641 9.085 -0.444 18938
1149 1 20 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.572 -0.192 18938
1150 1 20 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.522 -2.219 18938
1151 1 20 . 1 1 4 4 CYS CB C 4 46.302 46.302 27.487 18.815 18938
1152 1 20 . 1 1 4 4 CYS H H 4 8.982 8.982 8.957 0.025 18938
1153 1 20 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.547 -0.064 18938
1154 1 20 . 1 1 5 5 ARG CA C 5 55.816 55.816 55.415 0.401 18938
1155 1 20 . 1 1 5 5 ARG CB C 5 32.319 32.319 32.302 0.017 18938
1156 1 20 . 1 1 5 5 ARG H H 5 8.689 8.689 8.937 -0.248 18938
1157 1 20 . 1 1 6 6 ARG HA H 6 4.021 4.021 3.989 0.032 18938
1158 1 20 . 1 1 6 6 ARG CA C 6 56.806 56.806 56.987 -0.181 18938
1159 1 20 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.661 0.151 18938
1160 1 20 . 1 1 6 6 ARG H H 6 9.216 9.216 9.319 -0.103 18938
1161 1 20 . 1 1 7 7 GLY CA C 7 45.197 45.197 44.711 0.486 18938
1162 1 20 . 1 1 7 7 GLY H H 7 8.645 8.645 8.346 0.299 18938
1163 1 20 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.050 0.165 18938
1164 1 20 . 1 1 8 8 VAL CA C 8 62.144 62.144 62.449 -0.305 18938
1165 1 20 . 1 1 8 8 VAL CB C 8 33.034 33.034 31.668 1.366 18938
1166 1 20 . 1 1 8 8 VAL H H 8 7.899 7.899 7.662 0.237 18938
1167 1 20 . 1 1 9 9 CYS HA H 9 5.254 5.254 5.038 0.216 18938
1168 1 20 . 1 1 9 9 CYS CA C 9 55.055 55.055 58.084 -3.029 18938
1169 1 20 . 1 1 9 9 CYS CB C 9 44.978 44.978 26.334 18.644 18938
1170 1 20 . 1 1 9 9 CYS H H 9 8.983 8.983 8.796 0.187 18938
1171 1 20 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.737 -0.102 18938
1172 1 20 . 1 1 10 10 ARG CA C 10 56.114 56.114 55.126 0.988 18938
1173 1 20 . 1 1 10 10 ARG CB C 10 31.660 31.660 32.062 -0.402 18938
1174 1 20 . 1 1 10 10 ARG H H 10 8.755 8.755 9.115 -0.360 18938
1175 1 20 . 1 1 11 11 CYS HA H 11 5.157 5.157 5.187 -0.030 18938
1176 1 20 . 1 1 11 11 CYS CA C 11 55.303 55.303 58.037 -2.734 18938
1177 1 20 . 1 1 11 11 CYS CB C 11 44.671 44.671 29.364 15.307 18938
1178 1 20 . 1 1 11 11 CYS H H 11 8.882 8.882 8.970 -0.088 18938
1179 1 20 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.282 -0.076 18938
1180 1 20 . 1 1 12 12 VAL CA C 12 62.144 62.144 61.541 0.604 18938
1181 1 20 . 1 1 12 12 VAL CB C 12 33.336 33.336 30.376 2.960 18938
1182 1 20 . 1 1 12 12 VAL H H 12 8.356 8.356 8.349 0.007 18938
1183 1 20 . 1 1 13 13 CYS HA H 13 4.934 4.934 5.318 -0.384 18938
1184 1 20 . 1 1 13 13 CYS CA C 13 55.510 55.510 58.613 -3.103 18938
1185 1 20 . 1 1 13 13 CYS CB C 13 44.711 44.711 28.409 16.302 18938
1186 1 20 . 1 1 13 13 CYS H H 13 8.747 8.747 8.824 -0.077 18938
1187 1 20 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.519 -0.184 18938
1188 1 20 . 1 1 14 14 ARG CA C 14 56.741 56.741 55.020 1.722 18938
1189 1 20 . 1 1 14 14 ARG CB C 14 30.988 30.988 33.756 -2.768 18938
1190 1 20 . 1 1 14 14 ARG H H 14 8.681 8.681 8.529 0.152 18938
1191 1 20 . 1 1 15 15 ARG HA H 15 4.133 4.133 4.167 -0.034 18938
1192 1 20 . 1 1 15 15 ARG CA C 15 56.698 56.698 56.972 -0.274 18938
1193 1 20 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.504 1.054 18938
1194 1 20 . 1 1 15 15 ARG H H 15 8.754 8.754 8.798 -0.044 18938
1195 1 20 . 1 1 16 16 GLY CA C 16 45.326 45.326 45.333 -0.007 18938
1196 1 20 . 1 1 16 16 GLY H H 16 8.435 8.435 8.632 -0.197 18938
1197 1 20 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.406 -0.220 18938
1198 1 20 . 1 1 17 17 VAL CA C 17 62.445 62.445 62.216 0.229 18938
1199 1 20 . 1 1 17 17 VAL CB C 17 32.874 32.874 33.426 -0.552 18938
1200 1 20 . 1 1 17 17 VAL H H 17 7.879 7.879 7.713 0.166 18938
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Entity_delta_chem_shifts_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Data_low_range
_SPARTA_output.Data_high_range
_SPARTA_output.Entry_ID
1 1 1 "Average Difference" N 0 0.000 0.000 0.000 18938
2 1 1 "Average Difference" HA 18 0.282 -0.139 0.252 18938
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18938
4 1 1 "Average Difference" CA 16 1.593 0.436 1.582 18938
5 1 1 "Average Difference" CB 14 10.263 -6.787 7.989 18938
6 1 1 "Average Difference" HN 16 0.318 0.029 0.328 18938
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18938
8 1 2 "Average Difference" HA 18 0.226 -0.050 0.227 18938
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18938
10 1 2 "Average Difference" CA 16 1.687 0.316 1.711 18938
11 1 2 "Average Difference" CB 14 10.251 -6.360 8.343 18938
12 1 2 "Average Difference" HN 16 0.345 0.049 0.352 18938
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18938
14 1 3 "Average Difference" HA 18 0.269 -0.039 0.274 18938
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18938
16 1 3 "Average Difference" CA 16 1.549 0.137 1.593 18938
17 1 3 "Average Difference" CB 14 9.907 -6.107 8.095 18938
18 1 3 "Average Difference" HN 16 0.326 0.012 0.337 18938
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18938
20 1 4 "Average Difference" HA 18 0.293 -0.086 0.288 18938
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18938
22 1 4 "Average Difference" CA 16 1.737 0.378 1.751 18938
23 1 4 "Average Difference" CB 14 10.423 -6.484 8.468 18938
24 1 4 "Average Difference" HN 16 0.321 0.051 0.327 18938
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18938
26 1 5 "Average Difference" HA 18 0.287 -0.133 0.261 18938
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18938
28 1 5 "Average Difference" CA 16 1.684 0.493 1.663 18938
29 1 5 "Average Difference" CB 14 10.125 -6.593 7.974 18938
30 1 5 "Average Difference" HN 16 0.400 -0.042 0.411 18938
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18938
32 1 6 "Average Difference" HA 18 0.226 0.059 0.224 18938
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18938
34 1 6 "Average Difference" CA 16 1.573 0.423 1.565 18938
35 1 6 "Average Difference" CB 14 10.021 -5.702 8.552 18938
36 1 6 "Average Difference" HN 16 0.312 0.062 0.316 18938
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18938
38 1 7 "Average Difference" HA 18 0.308 -0.078 0.307 18938
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18938
40 1 7 "Average Difference" CA 16 1.471 0.482 1.435 18938
41 1 7 "Average Difference" CB 14 9.633 -6.228 7.627 18938
42 1 7 "Average Difference" HN 16 0.263 -0.012 0.271 18938
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18938
44 1 8 "Average Difference" HA 18 0.240 0.053 0.241 18938
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18938
46 1 8 "Average Difference" CA 16 1.612 0.177 1.655 18938
47 1 8 "Average Difference" CB 14 9.804 -5.470 8.444 18938
48 1 8 "Average Difference" HN 16 0.300 -0.011 0.310 18938
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18938
50 1 9 "Average Difference" HA 18 0.295 -0.165 0.252 18938
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18938
52 1 9 "Average Difference" CA 16 1.653 0.599 1.591 18938
53 1 9 "Average Difference" CB 14 10.243 -6.805 7.944 18938
54 1 9 "Average Difference" HN 16 0.284 -0.036 0.291 18938
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18938
56 1 10 "Average Difference" HA 18 0.256 -0.122 0.231 18938
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18938
58 1 10 "Average Difference" CA 16 1.631 0.541 1.590 18938
59 1 10 "Average Difference" CB 14 10.390 -6.664 8.272 18938
60 1 10 "Average Difference" HN 16 0.336 -0.125 0.322 18938
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 18938
62 1 11 "Average Difference" HA 18 0.267 -0.062 0.267 18938
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18938
64 1 11 "Average Difference" CA 16 1.750 0.347 1.772 18938
65 1 11 "Average Difference" CB 14 10.022 -5.811 8.473 18938
66 1 11 "Average Difference" HN 16 0.296 0.018 0.305 18938
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 18938
68 1 12 "Average Difference" HA 18 0.210 0.005 0.216 18938
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18938
70 1 12 "Average Difference" CA 16 1.717 0.184 1.763 18938
71 1 12 "Average Difference" CB 14 10.310 -6.052 8.662 18938
72 1 12 "Average Difference" HN 16 0.298 -0.054 0.303 18938
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 18938
74 1 13 "Average Difference" HA 18 0.207 -0.010 0.213 18938
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18938
76 1 13 "Average Difference" CA 16 1.621 0.439 1.612 18938
77 1 13 "Average Difference" CB 14 9.637 -5.954 7.864 18938
78 1 13 "Average Difference" HN 16 0.319 0.025 0.329 18938
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 18938
80 1 14 "Average Difference" HA 18 0.268 -0.073 0.265 18938
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18938
82 1 14 "Average Difference" CA 16 1.645 0.483 1.625 18938
83 1 14 "Average Difference" CB 14 10.546 -6.499 8.619 18938
84 1 14 "Average Difference" HN 16 0.313 -0.131 0.293 18938
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 18938
86 1 15 "Average Difference" HA 18 0.256 -0.066 0.255 18938
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18938
88 1 15 "Average Difference" CA 16 1.894 0.352 1.922 18938
89 1 15 "Average Difference" CB 14 10.439 -6.715 8.294 18938
90 1 15 "Average Difference" HN 16 0.285 0.002 0.295 18938
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 18938
92 1 16 "Average Difference" HA 18 0.231 -0.030 0.236 18938
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18938
94 1 16 "Average Difference" CA 16 1.428 0.482 1.389 18938
95 1 16 "Average Difference" CB 14 9.816 -5.683 8.306 18938
96 1 16 "Average Difference" HN 16 0.358 -0.022 0.369 18938
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 18938
98 1 17 "Average Difference" HA 18 0.230 -0.051 0.231 18938
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18938
100 1 17 "Average Difference" CA 16 1.717 0.511 1.693 18938
101 1 17 "Average Difference" CB 14 10.616 -6.599 8.630 18938
102 1 17 "Average Difference" HN 16 0.304 -0.060 0.308 18938
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 18938
104 1 18 "Average Difference" HA 18 0.293 -0.118 0.276 18938
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18938
106 1 18 "Average Difference" CA 16 1.574 0.375 1.579 18938
107 1 18 "Average Difference" CB 14 9.822 -6.183 7.920 18938
108 1 18 "Average Difference" HN 16 0.332 -0.060 0.337 18938
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 18938
110 1 19 "Average Difference" HA 18 0.255 0.020 0.262 18938
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18938
112 1 19 "Average Difference" CA 16 1.484 0.347 1.491 18938
113 1 19 "Average Difference" CB 14 9.752 -5.814 8.125 18938
114 1 19 "Average Difference" HN 16 0.310 -0.051 0.316 18938
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 18938
116 1 20 "Average Difference" HA 18 0.227 0.018 0.233 18938
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18938
118 1 20 "Average Difference" CA 16 1.571 0.565 1.514 18938
119 1 20 "Average Difference" CB 14 10.208 -6.244 8.380 18938
120 1 20 "Average Difference" HN 16 0.239 0.000 0.247 18938
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Model_type average
_Entity_delta_chem_shifts.Entry_ID 18938
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 CYS HA H 2 5.160 5.160 5.022 0.138 18938
2 1 . 1 1 2 2 CYS CA C 2 56.212 56.212 57.966 -1.754 18938
3 1 . 1 1 2 2 CYS CB C 2 44.855 44.855 28.485 16.370 18938
4 1 . 1 1 2 2 CYS H H 2 9.120 9.120 8.539 0.581 18938
5 1 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.430 -0.160 18938
6 1 . 1 1 3 3 VAL CA C 3 61.928 61.928 61.318 0.610 18938
7 1 . 1 1 3 3 VAL CB C 3 33.852 33.852 34.233 -0.380 18938
8 1 . 1 1 3 3 VAL H H 3 8.641 8.641 9.065 -0.424 18938
9 1 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.461 -0.081 18938
10 1 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.681 -2.378 18938
11 1 . 1 1 4 4 CYS CB C 4 46.302 46.302 28.473 17.829 18938
12 1 . 1 1 4 4 CYS H H 4 8.982 8.982 8.899 0.083 18938
13 1 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.543 -0.060 18938
14 1 . 1 1 5 5 ARG CA C 5 55.816 55.816 55.377 0.440 18938
15 1 . 1 1 5 5 ARG CB C 5 32.319 32.319 32.285 0.034 18938
16 1 . 1 1 5 5 ARG H H 5 8.689 8.689 9.032 -0.343 18938
17 1 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.029 -0.007 18938
18 1 . 1 1 6 6 ARG CA C 6 56.806 56.806 56.827 -0.021 18938
19 1 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.646 0.166 18938
20 1 . 1 1 6 6 ARG H H 6 9.216 9.216 9.286 -0.070 18938
21 1 . 1 1 7 7 GLY CA C 7 45.197 45.197 44.871 0.326 18938
22 1 . 1 1 7 7 GLY H H 7 8.645 8.645 8.344 0.301 18938
23 1 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.223 -0.008 18938
24 1 . 1 1 8 8 VAL CA C 8 62.144 62.144 61.925 0.219 18938
25 1 . 1 1 8 8 VAL CB C 8 33.034 33.034 32.119 0.915 18938
26 1 . 1 1 8 8 VAL H H 8 7.899 7.899 7.620 0.279 18938
27 1 . 1 1 9 9 CYS HA H 9 5.254 5.254 5.219 0.035 18938
28 1 . 1 1 9 9 CYS CA C 9 55.055 55.055 58.122 -3.067 18938
29 1 . 1 1 9 9 CYS CB C 9 44.978 44.978 27.275 17.703 18938
30 1 . 1 1 9 9 CYS H H 9 8.983 8.983 8.844 0.139 18938
31 1 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.733 -0.098 18938
32 1 . 1 1 10 10 ARG CA C 10 56.114 56.114 54.847 1.267 18938
33 1 . 1 1 10 10 ARG CB C 10 31.660 31.660 32.712 -1.052 18938
34 1 . 1 1 10 10 ARG H H 10 8.755 8.755 9.190 -0.435 18938
35 1 . 1 1 11 11 CYS HA H 11 5.157 5.157 4.885 0.272 18938
36 1 . 1 1 11 11 CYS CA C 11 55.303 55.303 58.117 -2.814 18938
37 1 . 1 1 11 11 CYS CB C 11 44.671 44.671 28.062 16.609 18938
38 1 . 1 1 11 11 CYS H H 11 8.882 8.882 8.908 -0.026 18938
39 1 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.248 -0.042 18938
40 1 . 1 1 12 12 VAL CA C 12 62.144 62.144 62.186 -0.042 18938
41 1 . 1 1 12 12 VAL CB C 12 33.336 33.336 32.108 1.228 18938
42 1 . 1 1 12 12 VAL H H 12 8.356 8.356 8.417 -0.061 18938
43 1 . 1 1 13 13 CYS HA H 13 4.934 4.934 4.801 0.133 18938
44 1 . 1 1 13 13 CYS CA C 13 55.510 55.510 57.720 -2.210 18938
45 1 . 1 1 13 13 CYS CB C 13 44.711 44.711 29.426 15.285 18938
46 1 . 1 1 13 13 CYS H H 13 8.747 8.747 8.439 0.307 18938
47 1 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.531 -0.196 18938
48 1 . 1 1 14 14 ARG CA C 14 56.741 56.741 54.367 2.374 18938
49 1 . 1 1 14 14 ARG CB C 14 30.988 30.988 31.090 -0.102 18938
50 1 . 1 1 14 14 ARG H H 14 8.681 8.681 8.625 0.056 18938
51 1 . 1 1 15 15 ARG HA H 15 4.133 4.133 4.060 0.073 18938
52 1 . 1 1 15 15 ARG CA C 15 56.698 56.698 56.876 -0.178 18938
53 1 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.460 1.098 18938
54 1 . 1 1 15 15 ARG H H 15 8.754 8.754 8.892 -0.138 18938
55 1 . 1 1 16 16 GLY CA C 16 45.326 45.326 45.157 0.170 18938
56 1 . 1 1 16 16 GLY H H 16 8.435 8.435 8.547 -0.112 18938
57 1 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.350 -0.164 18938
58 1 . 1 1 17 17 VAL CA C 17 62.445 62.445 61.838 0.607 18938
59 1 . 1 1 17 17 VAL CB C 17 32.874 32.874 31.249 1.625 18938
60 1 . 1 1 17 17 VAL H H 17 7.879 7.879 7.733 0.146 18938
stop_
save_