Molecular Docking of SPF30 Tudor domain with synthetic inhibitor 4-(pyridin-2-yl)thiazol-2-amine
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 1 | ALA | HA | H | 4.271 | 0.020 | 1 |
2 | 1 | 1 | ALA | HB1 | H | 1.331 | 0.020 | 1 |
3 | 1 | 1 | ALA | HB2 | H | 1.331 | 0.020 | 1 |
4 | 1 | 1 | ALA | HB3 | H | 1.331 | 0.020 | 1 |
5 | 1 | 1 | ALA | CA | C | 52.413 | 0.3 | 1 |
6 | 1 | 1 | ALA | CB | C | 19.186 | 0.3 | 1 |
7 | 1 | 2 | SER | HA | H | 4.419 | 0.020 | 1 |
8 | 1 | 2 | SER | HB2 | H | 3.782 | 0.020 | 2 |
9 | 1 | 2 | SER | HB3 | H | 3.834 | 0.020 | 2 |
10 | 1 | 2 | SER | CA | C | 58.085 | 0.3 | 1 |
11 | 1 | 2 | SER | CB | C | 63.628 | 0.3 | 1 |
12 | 1 | 3 | THR | HA | H | 4.283 | 0.020 | 1 |
13 | 1 | 3 | THR | HB | H | 4.157 | 0.020 | 1 |
14 | 1 | 3 | THR | HG21 | H | 1.117 | 0.020 | 1 |
15 | 1 | 3 | THR | HG22 | H | 1.117 | 0.020 | 1 |
16 | 1 | 3 | THR | HG23 | H | 1.117 | 0.020 | 1 |
17 | 1 | 3 | THR | CA | C | 61.589 | 0.3 | 1 |
18 | 1 | 3 | THR | CB | C | 69.597 | 0.3 | 1 |
19 | 1 | 3 | THR | CG2 | C | 21.568 | 0.3 | 1 |
20 | 1 | 4 | GLN | HA | H | 4.568 | 0.020 | 1 |
21 | 1 | 4 | GLN | HB2 | H | 1.854 | 0.020 | 2 |
22 | 1 | 4 | GLN | HB3 | H | 2.019 | 0.020 | 2 |
23 | 1 | 4 | GLN | HG3 | H | 2.306 | 0.020 | 1 |
24 | 1 | 4 | GLN | CA | C | 53.517 | 0.3 | 1 |
25 | 1 | 4 | GLN | CB | C | 28.920 | 0.3 | 1 |
26 | 1 | 4 | GLN | CG | C | 33.294 | 0.3 | 1 |
27 | 1 | 5 | PRO | HA | H | 4.414 | 0.020 | 1 |
28 | 1 | 5 | PRO | HB2 | H | 1.804 | 0.020 | 2 |
29 | 1 | 5 | PRO | HB3 | H | 2.204 | 0.020 | 2 |
30 | 1 | 5 | PRO | HG3 | H | 1.931 | 0.020 | 1 |
31 | 1 | 5 | PRO | HD2 | H | 3.592 | 0.020 | 2 |
32 | 1 | 5 | PRO | HD3 | H | 3.733 | 0.020 | 2 |
33 | 1 | 5 | PRO | CA | C | 62.981 | 0.3 | 1 |
34 | 1 | 5 | PRO | CB | C | 32.089 | 0.3 | 1 |
35 | 1 | 5 | PRO | CG | C | 27.366 | 0.3 | 1 |
36 | 1 | 5 | PRO | CD | C | 50.620 | 0.3 | 1 |
37 | 1 | 6 | THR | HA | H | 4.164 | 0.020 | 1 |
38 | 1 | 6 | THR | HB | H | 4.076 | 0.020 | 1 |
39 | 1 | 6 | THR | HG21 | H | 1.105 | 0.020 | 1 |
40 | 1 | 6 | THR | HG22 | H | 1.105 | 0.020 | 1 |
41 | 1 | 6 | THR | HG23 | H | 1.105 | 0.020 | 1 |
42 | 1 | 6 | THR | CA | C | 61.751 | 0.3 | 1 |
43 | 1 | 6 | THR | CB | C | 69.625 | 0.3 | 1 |
44 | 1 | 6 | THR | CG2 | C | 21.539 | 0.3 | 1 |
45 | 1 | 7 | HIS | HA | H | 4.341 | 0.020 | 1 |
46 | 1 | 7 | HIS | HB2 | H | 2.577 | 0.020 | 2 |
47 | 1 | 7 | HIS | HB3 | H | 2.805 | 0.020 | 2 |
48 | 1 | 7 | HIS | HD2 | H | 6.068 | 0.020 | 1 |
49 | 1 | 7 | HIS | HE1 | H | 7.818 | 0.020 | 1 |
50 | 1 | 7 | HIS | CA | C | 55.391 | 0.3 | 1 |
51 | 1 | 7 | HIS | CB | C | 30.649 | 0.3 | 1 |
52 | 1 | 7 | HIS | CD2 | C | 119.188 | 0.3 | 1 |
53 | 1 | 7 | HIS | CE1 | C | 137.021 | 0.3 | 1 |
54 | 1 | 8 | SER | HA | H | 4.349 | 0.020 | 1 |
55 | 1 | 8 | SER | HB2 | H | 3.499 | 0.020 | 2 |
56 | 1 | 8 | SER | HB3 | H | 3.584 | 0.020 | 2 |
57 | 1 | 8 | SER | CA | C | 56.938 | 0.3 | 1 |
58 | 1 | 8 | SER | CB | C | 63.157 | 0.3 | 1 |
59 | 1 | 9 | TRP | HA | H | 4.732 | 0.020 | 1 |
60 | 1 | 9 | TRP | HB2 | H | 2.845 | 0.020 | 2 |
61 | 1 | 9 | TRP | HB3 | H | 2.996 | 0.020 | 2 |
62 | 1 | 9 | TRP | HD1 | H | 7.119 | 0.020 | 1 |
63 | 1 | 9 | TRP | HE3 | H | 8.008 | 0.020 | 1 |
64 | 1 | 9 | TRP | HZ2 | H | 6.792 | 0.020 | 1 |
65 | 1 | 9 | TRP | HZ3 | H | 7.168 | 0.020 | 1 |
66 | 1 | 9 | TRP | HH2 | H | 6.626 | 0.020 | 1 |
67 | 1 | 9 | TRP | CA | C | 56.727 | 0.3 | 1 |
68 | 1 | 9 | TRP | CB | C | 32.151 | 0.3 | 1 |
69 | 1 | 9 | TRP | CD1 | C | 127.302 | 0.3 | 1 |
70 | 1 | 9 | TRP | CE3 | C | 122.315 | 0.3 | 1 |
71 | 1 | 9 | TRP | CZ2 | C | 113.657 | 0.3 | 1 |
72 | 1 | 9 | TRP | CZ3 | C | 121.132 | 0.3 | 1 |
73 | 1 | 9 | TRP | CH2 | C | 123.498 | 0.3 | 1 |
74 | 1 | 10 | LYS | HA | H | 4.558 | 0.020 | 1 |
75 | 1 | 10 | LYS | HB2 | H | 1.678 | 0.020 | 2 |
76 | 1 | 10 | LYS | HB3 | H | 1.732 | 0.020 | 2 |
77 | 1 | 10 | LYS | HG2 | H | 1.267 | 0.020 | 2 |
78 | 1 | 10 | LYS | HG3 | H | 1.470 | 0.020 | 2 |
79 | 1 | 10 | LYS | HD2 | H | 1.627 | 0.020 | 1 |
80 | 1 | 10 | LYS | HE3 | H | 2.936 | 0.020 | 1 |
81 | 1 | 10 | LYS | CA | C | 54.206 | 0.3 | 1 |
82 | 1 | 10 | LYS | CB | C | 35.759 | 0.3 | 1 |
83 | 1 | 10 | LYS | CG | C | 23.666 | 0.3 | 1 |
84 | 1 | 10 | LYS | CD | C | 29.067 | 0.3 | 1 |
85 | 1 | 10 | LYS | CE | C | 41.899 | 0.3 | 1 |
86 | 1 | 11 | VAL | HA | H | 3.167 | 0.020 | 1 |
87 | 1 | 11 | VAL | HB | H | 1.820 | 0.020 | 1 |
88 | 1 | 11 | VAL | HG11 | H | 0.852 | 0.020 | 2 |
89 | 1 | 11 | VAL | HG12 | H | 0.852 | 0.020 | 2 |
90 | 1 | 11 | VAL | HG13 | H | 0.852 | 0.020 | 2 |
91 | 1 | 11 | VAL | HG21 | H | 0.921 | 0.020 | 2 |
92 | 1 | 11 | VAL | HG22 | H | 0.921 | 0.020 | 2 |
93 | 1 | 11 | VAL | HG23 | H | 0.921 | 0.020 | 2 |
94 | 1 | 11 | VAL | CA | C | 65.756 | 0.3 | 1 |
95 | 1 | 11 | VAL | CB | C | 31.330 | 0.3 | 1 |
96 | 1 | 11 | VAL | CG1 | C | 21.432 | 0.3 | 1 |
97 | 1 | 11 | VAL | CG2 | C | 22.998 | 0.3 | 1 |
98 | 1 | 12 | GLY | HA2 | H | 3.661 | 0.020 | 2 |
99 | 1 | 12 | GLY | HA3 | H | 4.389 | 0.020 | 2 |
100 | 1 | 12 | GLY | CA | C | 44.342 | 0.3 | 1 |
101 | 1 | 13 | ASP | HA | H | 4.611 | 0.020 | 1 |
102 | 1 | 13 | ASP | HB2 | H | 2.948 | 0.020 | 2 |
103 | 1 | 13 | ASP | HB3 | H | 3.191 | 0.020 | 2 |
104 | 1 | 13 | ASP | CA | C | 55.450 | 0.3 | 1 |
105 | 1 | 13 | ASP | CB | C | 41.602 | 0.3 | 1 |
106 | 1 | 14 | LYS | HA | H | 5.048 | 0.020 | 1 |
107 | 1 | 14 | LYS | HB3 | H | 1.813 | 0.020 | 1 |
108 | 1 | 14 | LYS | HG2 | H | 1.534 | 0.020 | 2 |
109 | 1 | 14 | LYS | HG3 | H | 1.594 | 0.020 | 2 |
110 | 1 | 14 | LYS | HD3 | H | 1.648 | 0.020 | 1 |
111 | 1 | 14 | LYS | CA | C | 54.459 | 0.3 | 1 |
112 | 1 | 14 | LYS | CB | C | 33.631 | 0.3 | 1 |
113 | 1 | 14 | LYS | CG | C | 25.181 | 0.3 | 1 |
114 | 1 | 14 | LYS | CD | C | 28.566 | 0.3 | 1 |
115 | 1 | 15 | CYS | HA | H | 5.024 | 0.020 | 1 |
116 | 1 | 15 | CYS | HB2 | H | 2.266 | 0.020 | 2 |
117 | 1 | 15 | CYS | HB3 | H | 2.571 | 0.020 | 2 |
118 | 1 | 15 | CYS | CA | C | 55.357 | 0.3 | 1 |
119 | 1 | 15 | CYS | CB | C | 32.054 | 0.3 | 1 |
120 | 1 | 16 | MET | HA | H | 5.227 | 0.020 | 1 |
121 | 1 | 16 | MET | HB2 | H | 1.628 | 0.020 | 2 |
122 | 1 | 16 | MET | HB3 | H | 1.763 | 0.020 | 2 |
123 | 1 | 16 | MET | HG2 | H | 2.487 | 0.020 | 2 |
124 | 1 | 16 | MET | HG3 | H | 2.541 | 0.020 | 2 |
125 | 1 | 16 | MET | CA | C | 53.107 | 0.3 | 1 |
126 | 1 | 16 | MET | CB | C | 32.899 | 0.3 | 1 |
127 | 1 | 16 | MET | CG | C | 31.885 | 0.3 | 1 |
128 | 1 | 17 | ALA | HA | H | 4.858 | 0.020 | 1 |
129 | 1 | 17 | ALA | HB1 | H | 1.072 | 0.020 | 1 |
130 | 1 | 17 | ALA | HB2 | H | 1.072 | 0.020 | 1 |
131 | 1 | 17 | ALA | HB3 | H | 1.072 | 0.020 | 1 |
132 | 1 | 17 | ALA | CA | C | 50.263 | 0.3 | 1 |
133 | 1 | 17 | ALA | CB | C | 23.679 | 0.3 | 1 |
134 | 1 | 18 | VAL | HA | H | 4.229 | 0.020 | 1 |
135 | 1 | 18 | VAL | HB | H | 1.848 | 0.020 | 1 |
136 | 1 | 18 | VAL | HG11 | H | 0.621 | 0.020 | 2 |
137 | 1 | 18 | VAL | HG12 | H | 0.621 | 0.020 | 2 |
138 | 1 | 18 | VAL | HG13 | H | 0.621 | 0.020 | 2 |
139 | 1 | 18 | VAL | HG21 | H | 0.870 | 0.020 | 2 |
140 | 1 | 18 | VAL | HG22 | H | 0.870 | 0.020 | 2 |
141 | 1 | 18 | VAL | HG23 | H | 0.870 | 0.020 | 2 |
142 | 1 | 18 | VAL | CA | C | 62.325 | 0.3 | 1 |
143 | 1 | 18 | VAL | CB | C | 32.661 | 0.3 | 1 |
144 | 1 | 18 | VAL | CG1 | C | 21.002 | 0.3 | 1 |
145 | 1 | 18 | VAL | CG2 | C | 22.374 | 0.3 | 1 |
146 | 1 | 19 | TRP | HA | H | 5.196 | 0.020 | 1 |
147 | 1 | 19 | TRP | HB3 | H | 3.665 | 0.020 | 1 |
148 | 1 | 19 | TRP | HD1 | H | 7.077 | 0.020 | 1 |
149 | 1 | 19 | TRP | HE3 | H | 7.507 | 0.020 | 1 |
150 | 1 | 19 | TRP | HZ2 | H | 6.788 | 0.020 | 1 |
151 | 1 | 19 | TRP | HZ3 | H | 6.256 | 0.020 | 1 |
152 | 1 | 19 | TRP | HH2 | H | 6.626 | 0.020 | 1 |
153 | 1 | 19 | TRP | CA | C | 54.322 | 0.3 | 1 |
154 | 1 | 19 | TRP | CB | C | 29.804 | 0.3 | 1 |
155 | 1 | 19 | TRP | CD1 | C | 125.315 | 0.3 | 1 |
156 | 1 | 19 | TRP | CE3 | C | 123.836 | 0.3 | 1 |
157 | 1 | 19 | TRP | CZ2 | C | 114.286 | 0.3 | 1 |
158 | 1 | 19 | TRP | CZ3 | C | 121.565 | 0.3 | 1 |
159 | 1 | 19 | TRP | CH2 | C | 124.724 | 0.3 | 1 |
160 | 1 | 20 | SER | HA | H | 3.817 | 0.020 | 1 |
161 | 1 | 20 | SER | HB2 | H | 3.646 | 0.020 | 2 |
162 | 1 | 20 | SER | HB3 | H | 3.808 | 0.020 | 2 |
163 | 1 | 20 | SER | CA | C | 61.080 | 0.3 | 1 |
164 | 1 | 20 | SER | CB | C | 62.255 | 0.3 | 1 |
165 | 1 | 21 | GLU | HA | H | 3.494 | 0.020 | 1 |
166 | 1 | 21 | GLU | HB2 | H | -0.092 | 0.020 | 2 |
167 | 1 | 21 | GLU | HB3 | H | 0.363 | 0.020 | 2 |
168 | 1 | 21 | GLU | HG2 | H | 1.436 | 0.020 | 2 |
169 | 1 | 21 | GLU | HG3 | H | 1.543 | 0.020 | 2 |
170 | 1 | 21 | GLU | CA | C | 57.969 | 0.3 | 1 |
171 | 1 | 21 | GLU | CB | C | 27.828 | 0.3 | 1 |
172 | 1 | 21 | GLU | CG | C | 35.762 | 0.3 | 1 |
173 | 1 | 22 | ASP | HA | H | 4.615 | 0.020 | 1 |
174 | 1 | 22 | ASP | HB2 | H | 2.248 | 0.020 | 2 |
175 | 1 | 22 | ASP | HB3 | H | 2.951 | 0.020 | 2 |
176 | 1 | 22 | ASP | CA | C | 52.545 | 0.3 | 1 |
177 | 1 | 22 | ASP | CB | C | 42.193 | 0.3 | 1 |
178 | 1 | 23 | GLY | HA2 | H | 3.512 | 0.020 | 2 |
179 | 1 | 23 | GLY | HA3 | H | 3.942 | 0.020 | 2 |
180 | 1 | 23 | GLY | CA | C | 46.213 | 0.3 | 1 |
181 | 1 | 24 | GLN | HA | H | 4.425 | 0.020 | 1 |
182 | 1 | 24 | GLN | HB2 | H | 1.854 | 0.020 | 2 |
183 | 1 | 24 | GLN | HB3 | H | 2.204 | 0.020 | 2 |
184 | 1 | 24 | GLN | HG2 | H | 2.040 | 0.020 | 2 |
185 | 1 | 24 | GLN | HG3 | H | 2.201 | 0.020 | 2 |
186 | 1 | 24 | GLN | CA | C | 53.906 | 0.3 | 1 |
187 | 1 | 24 | GLN | CB | C | 29.250 | 0.3 | 1 |
188 | 1 | 24 | GLN | CG | C | 33.962 | 0.3 | 1 |
189 | 1 | 25 | CYS | HA | H | 5.096 | 0.020 | 1 |
190 | 1 | 25 | CYS | HB2 | H | 2.442 | 0.020 | 2 |
191 | 1 | 25 | CYS | HB3 | H | 2.650 | 0.020 | 2 |
192 | 1 | 25 | CYS | CA | C | 57.988 | 0.3 | 1 |
193 | 1 | 25 | CYS | CB | C | 28.804 | 0.3 | 1 |
194 | 1 | 26 | TYR | HA | H | 4.766 | 0.020 | 1 |
195 | 1 | 26 | TYR | HB2 | H | 2.777 | 0.020 | 2 |
196 | 1 | 26 | TYR | HB3 | H | 3.469 | 0.020 | 2 |
197 | 1 | 26 | TYR | HD1 | H | 7.077 | 0.020 | 1 |
198 | 1 | 26 | TYR | HD2 | H | 7.077 | 0.020 | 1 |
199 | 1 | 26 | TYR | HE1 | H | 7.254 | 0.020 | 1 |
200 | 1 | 26 | TYR | HE2 | H | 7.254 | 0.020 | 1 |
201 | 1 | 26 | TYR | CA | C | 56.986 | 0.3 | 1 |
202 | 1 | 26 | TYR | CB | C | 43.795 | 0.3 | 1 |
203 | 1 | 26 | TYR | CD1 | C | 133.979 | 0.3 | 1 |
204 | 1 | 26 | TYR | CD2 | C | 133.979 | 0.3 | 1 |
205 | 1 | 26 | TYR | CE1 | C | 118.680 | 0.3 | 1 |
206 | 1 | 26 | TYR | CE2 | C | 118.680 | 0.3 | 1 |
207 | 1 | 27 | GLU | HA | H | 4.921 | 0.020 | 1 |
208 | 1 | 27 | GLU | HB2 | H | 1.963 | 0.020 | 2 |
209 | 1 | 27 | GLU | HB3 | H | 2.056 | 0.020 | 2 |
210 | 1 | 27 | GLU | HG2 | H | 2.221 | 0.020 | 2 |
211 | 1 | 27 | GLU | HG3 | H | 2.332 | 0.020 | 2 |
212 | 1 | 27 | GLU | CA | C | 57.419 | 0.3 | 1 |
213 | 1 | 27 | GLU | CB | C | 30.461 | 0.3 | 1 |
214 | 1 | 27 | GLU | CG | C | 37.269 | 0.3 | 1 |
215 | 1 | 28 | ALA | HA | H | 5.008 | 0.020 | 1 |
216 | 1 | 28 | ALA | HB1 | H | 0.678 | 0.020 | 1 |
217 | 1 | 28 | ALA | HB2 | H | 0.678 | 0.020 | 1 |
218 | 1 | 28 | ALA | HB3 | H | 0.678 | 0.020 | 1 |
219 | 1 | 28 | ALA | CA | C | 50.677 | 0.3 | 1 |
220 | 1 | 28 | ALA | CB | C | 23.901 | 0.3 | 1 |
221 | 1 | 29 | GLU | HA | H | 5.075 | 0.020 | 1 |
222 | 1 | 29 | GLU | HB3 | H | 1.734 | 0.020 | 1 |
223 | 1 | 29 | GLU | HG2 | H | 1.864 | 0.020 | 2 |
224 | 1 | 29 | GLU | HG3 | H | 1.916 | 0.020 | 2 |
225 | 1 | 29 | GLU | CA | C | 54.075 | 0.3 | 1 |
226 | 1 | 29 | GLU | CB | C | 33.693 | 0.3 | 1 |
227 | 1 | 29 | GLU | CG | C | 36.699 | 0.3 | 1 |
228 | 1 | 30 | ILE | HA | H | 3.843 | 0.020 | 1 |
229 | 1 | 30 | ILE | HB | H | 1.877 | 0.020 | 1 |
230 | 1 | 30 | ILE | HG12 | H | 0.349 | 0.020 | 2 |
231 | 1 | 30 | ILE | HG13 | H | 1.487 | 0.020 | 2 |
232 | 1 | 30 | ILE | HG21 | H | 0.601 | 0.020 | 1 |
233 | 1 | 30 | ILE | HG22 | H | 0.601 | 0.020 | 1 |
234 | 1 | 30 | ILE | HG23 | H | 0.601 | 0.020 | 1 |
235 | 1 | 30 | ILE | HD11 | H | 0.442 | 0.020 | 1 |
236 | 1 | 30 | ILE | HD12 | H | 0.442 | 0.020 | 1 |
237 | 1 | 30 | ILE | HD13 | H | 0.442 | 0.020 | 1 |
238 | 1 | 30 | ILE | CA | C | 63.024 | 0.3 | 1 |
239 | 1 | 30 | ILE | CB | C | 38.110 | 0.3 | 1 |
240 | 1 | 30 | ILE | CG1 | C | 28.091 | 0.3 | 1 |
241 | 1 | 30 | ILE | CG2 | C | 18.589 | 0.3 | 1 |
242 | 1 | 30 | ILE | CD1 | C | 14.730 | 0.3 | 1 |
243 | 1 | 31 | GLU | HA | H | 4.472 | 0.020 | 1 |
244 | 1 | 31 | GLU | HB2 | H | 1.694 | 0.020 | 2 |
245 | 1 | 31 | GLU | HB3 | H | 1.975 | 0.020 | 2 |
246 | 1 | 31 | GLU | HG2 | H | 2.062 | 0.020 | 2 |
247 | 1 | 31 | GLU | HG3 | H | 2.176 | 0.020 | 2 |
248 | 1 | 31 | GLU | CA | C | 57.188 | 0.3 | 1 |
249 | 1 | 31 | GLU | CB | C | 30.885 | 0.3 | 1 |
250 | 1 | 31 | GLU | CG | C | 35.276 | 0.3 | 1 |
251 | 1 | 32 | GLU | HA | H | 4.398 | 0.020 | 1 |
252 | 1 | 32 | GLU | HB3 | H | 1.895 | 0.020 | 1 |
253 | 1 | 32 | GLU | HG2 | H | 2.112 | 0.020 | 1 |
254 | 1 | 32 | GLU | CA | C | 55.812 | 0.3 | 1 |
255 | 1 | 32 | GLU | CB | C | 33.803 | 0.3 | 1 |
256 | 1 | 32 | GLU | CG | C | 36.227 | 0.3 | 1 |
257 | 1 | 33 | ILE | HA | H | 4.426 | 0.020 | 1 |
258 | 1 | 33 | ILE | HB | H | 1.576 | 0.020 | 1 |
259 | 1 | 33 | ILE | HG12 | H | 0.717 | 0.020 | 2 |
260 | 1 | 33 | ILE | HG13 | H | 1.339 | 0.020 | 2 |
261 | 1 | 33 | ILE | HG21 | H | 0.808 | 0.020 | 1 |
262 | 1 | 33 | ILE | HG22 | H | 0.808 | 0.020 | 1 |
263 | 1 | 33 | ILE | HG23 | H | 0.808 | 0.020 | 1 |
264 | 1 | 33 | ILE | HD11 | H | 0.717 | 0.020 | 1 |
265 | 1 | 33 | ILE | HD12 | H | 0.717 | 0.020 | 1 |
266 | 1 | 33 | ILE | HD13 | H | 0.717 | 0.020 | 1 |
267 | 1 | 33 | ILE | CA | C | 60.908 | 0.3 | 1 |
268 | 1 | 33 | ILE | CB | C | 41.639 | 0.3 | 1 |
269 | 1 | 33 | ILE | CG1 | C | 28.812 | 0.3 | 1 |
270 | 1 | 33 | ILE | CG2 | C | 17.168 | 0.3 | 1 |
271 | 1 | 33 | ILE | CD1 | C | 14.007 | 0.3 | 1 |
272 | 1 | 34 | ASP | HA | H | 4.808 | 0.020 | 1 |
273 | 1 | 34 | ASP | HB2 | H | 2.300 | 0.020 | 2 |
274 | 1 | 34 | ASP | HB3 | H | 3.192 | 0.020 | 2 |
275 | 1 | 34 | ASP | CA | C | 51.756 | 0.3 | 1 |
276 | 1 | 34 | ASP | CB | C | 40.546 | 0.3 | 1 |
277 | 1 | 35 | GLU | HA | H | 3.922 | 0.020 | 1 |
278 | 1 | 35 | GLU | HB2 | H | 1.942 | 0.020 | 2 |
279 | 1 | 35 | GLU | HB3 | H | 2.062 | 0.020 | 2 |
280 | 1 | 35 | GLU | HG2 | H | 2.204 | 0.020 | 2 |
281 | 1 | 35 | GLU | HG3 | H | 2.315 | 0.020 | 2 |
282 | 1 | 35 | GLU | CA | C | 58.894 | 0.3 | 1 |
283 | 1 | 35 | GLU | CB | C | 29.729 | 0.3 | 1 |
284 | 1 | 35 | GLU | CG | C | 36.583 | 0.3 | 1 |
285 | 1 | 36 | GLU | HA | H | 4.025 | 0.020 | 1 |
286 | 1 | 36 | GLU | HB2 | H | 1.976 | 0.020 | 2 |
287 | 1 | 36 | GLU | HB3 | H | 2.062 | 0.020 | 2 |
288 | 1 | 36 | GLU | HG3 | H | 2.202 | 0.020 | 1 |
289 | 1 | 36 | GLU | CA | C | 59.036 | 0.3 | 1 |
290 | 1 | 36 | GLU | CB | C | 29.283 | 0.3 | 1 |
291 | 1 | 36 | GLU | CG | C | 36.285 | 0.3 | 1 |
292 | 1 | 37 | ASN | HA | H | 4.732 | 0.020 | 1 |
293 | 1 | 37 | ASN | HB2 | H | 2.338 | 0.020 | 2 |
294 | 1 | 37 | ASN | HB3 | H | 2.659 | 0.020 | 2 |
295 | 1 | 37 | ASN | CA | C | 52.873 | 0.3 | 1 |
296 | 1 | 37 | ASN | CB | C | 39.556 | 0.3 | 1 |
297 | 1 | 38 | GLY | HA2 | H | 3.942 | 0.020 | 1 |
298 | 1 | 38 | GLY | HA3 | H | 3.942 | 0.020 | 1 |
299 | 1 | 38 | GLY | CA | C | 47.055 | 0.3 | 1 |
300 | 1 | 39 | THR | HA | H | 4.856 | 0.020 | 1 |
301 | 1 | 39 | THR | HB | H | 3.849 | 0.020 | 1 |
302 | 1 | 39 | THR | HG21 | H | 0.786 | 0.020 | 1 |
303 | 1 | 39 | THR | HG22 | H | 0.786 | 0.020 | 1 |
304 | 1 | 39 | THR | HG23 | H | 0.786 | 0.020 | 1 |
305 | 1 | 39 | THR | CA | C | 59.561 | 0.3 | 1 |
306 | 1 | 39 | THR | CB | C | 72.501 | 0.3 | 1 |
307 | 1 | 39 | THR | CG2 | C | 20.901 | 0.3 | 1 |
308 | 1 | 40 | ALA | HA | H | 4.993 | 0.020 | 1 |
309 | 1 | 40 | ALA | HB1 | H | 0.978 | 0.020 | 1 |
310 | 1 | 40 | ALA | HB2 | H | 0.978 | 0.020 | 1 |
311 | 1 | 40 | ALA | HB3 | H | 0.978 | 0.020 | 1 |
312 | 1 | 40 | ALA | CA | C | 49.893 | 0.3 | 1 |
313 | 1 | 40 | ALA | CB | C | 22.736 | 0.3 | 1 |
314 | 1 | 41 | ALA | HA | H | 4.941 | 0.020 | 1 |
315 | 1 | 41 | ALA | HB1 | H | 1.241 | 0.020 | 1 |
316 | 1 | 41 | ALA | HB2 | H | 1.241 | 0.020 | 1 |
317 | 1 | 41 | ALA | HB3 | H | 1.241 | 0.020 | 1 |
318 | 1 | 41 | ALA | CA | C | 50.690 | 0.3 | 1 |
319 | 1 | 41 | ALA | CB | C | 19.351 | 0.3 | 1 |
320 | 1 | 42 | ILE | HA | H | 5.212 | 0.020 | 1 |
321 | 1 | 42 | ILE | HB | H | 1.139 | 0.020 | 1 |
322 | 1 | 42 | ILE | HG12 | H | 0.666 | 0.020 | 2 |
323 | 1 | 42 | ILE | HG13 | H | 0.826 | 0.020 | 2 |
324 | 1 | 42 | ILE | HG21 | H | 0.361 | 0.020 | 1 |
325 | 1 | 42 | ILE | HG22 | H | 0.361 | 0.020 | 1 |
326 | 1 | 42 | ILE | HG23 | H | 0.361 | 0.020 | 1 |
327 | 1 | 42 | ILE | HD11 | H | 0.015 | 0.020 | 1 |
328 | 1 | 42 | ILE | HD12 | H | 0.015 | 0.020 | 1 |
329 | 1 | 42 | ILE | HD13 | H | 0.015 | 0.020 | 1 |
330 | 1 | 42 | ILE | CA | C | 58.039 | 0.3 | 1 |
331 | 1 | 42 | ILE | CB | C | 41.400 | 0.3 | 1 |
332 | 1 | 42 | ILE | CG1 | C | 24.997 | 0.3 | 1 |
333 | 1 | 42 | ILE | CG2 | C | 18.598 | 0.3 | 1 |
334 | 1 | 42 | ILE | CD1 | C | 14.332 | 0.3 | 1 |
335 | 1 | 43 | THR | HA | H | 4.782 | 0.020 | 1 |
336 | 1 | 43 | THR | HB | H | 3.733 | 0.020 | 1 |
337 | 1 | 43 | THR | HG21 | H | 0.942 | 0.020 | 1 |
338 | 1 | 43 | THR | HG22 | H | 0.942 | 0.020 | 1 |
339 | 1 | 43 | THR | HG23 | H | 0.942 | 0.020 | 1 |
340 | 1 | 43 | THR | CA | C | 59.881 | 0.3 | 1 |
341 | 1 | 43 | THR | CB | C | 70.446 | 0.3 | 1 |
342 | 1 | 43 | THR | CG2 | C | 21.837 | 0.3 | 1 |
343 | 1 | 44 | PHE | HA | H | 4.474 | 0.020 | 1 |
344 | 1 | 44 | PHE | HB2 | H | 2.633 | 0.020 | 2 |
345 | 1 | 44 | PHE | HB3 | H | 2.853 | 0.020 | 2 |
346 | 1 | 44 | PHE | HD1 | H | 7.113 | 0.020 | 1 |
347 | 1 | 44 | PHE | HD2 | H | 7.113 | 0.020 | 1 |
348 | 1 | 44 | PHE | HE1 | H | 7.317 | 0.020 | 1 |
349 | 1 | 44 | PHE | HE2 | H | 7.317 | 0.020 | 1 |
350 | 1 | 44 | PHE | CA | C | 59.065 | 0.3 | 1 |
351 | 1 | 44 | PHE | CB | C | 39.549 | 0.3 | 1 |
352 | 1 | 44 | PHE | CD1 | C | 131.908 | 0.3 | 1 |
353 | 1 | 44 | PHE | CD2 | C | 131.908 | 0.3 | 1 |
354 | 1 | 44 | PHE | CE1 | C | 131.401 | 0.3 | 1 |
355 | 1 | 44 | PHE | CE2 | C | 131.401 | 0.3 | 1 |
356 | 1 | 45 | ALA | HA | H | 4.061 | 0.020 | 1 |
357 | 1 | 45 | ALA | HB1 | H | 1.255 | 0.020 | 1 |
358 | 1 | 45 | ALA | HB2 | H | 1.255 | 0.020 | 1 |
359 | 1 | 45 | ALA | HB3 | H | 1.255 | 0.020 | 1 |
360 | 1 | 45 | ALA | CA | C | 53.262 | 0.3 | 1 |
361 | 1 | 45 | ALA | CB | C | 18.270 | 0.3 | 1 |
362 | 1 | 46 | GLY | HA2 | H | 3.297 | 0.020 | 2 |
363 | 1 | 46 | GLY | HA3 | H | 3.811 | 0.020 | 2 |
364 | 1 | 46 | GLY | CA | C | 45.754 | 0.3 | 1 |
365 | 1 | 47 | TYR | HA | H | 4.159 | 0.020 | 1 |
366 | 1 | 47 | TYR | HB2 | H | 2.116 | 0.020 | 2 |
367 | 1 | 47 | TYR | HB3 | H | 2.810 | 0.020 | 2 |
368 | 1 | 47 | TYR | HD1 | H | 6.485 | 0.020 | 1 |
369 | 1 | 47 | TYR | HD2 | H | 6.485 | 0.020 | 1 |
370 | 1 | 47 | TYR | HE1 | H | 6.315 | 0.020 | 1 |
371 | 1 | 47 | TYR | HE2 | H | 6.315 | 0.020 | 1 |
372 | 1 | 47 | TYR | CA | C | 58.858 | 0.3 | 1 |
373 | 1 | 47 | TYR | CB | C | 39.938 | 0.3 | 1 |
374 | 1 | 47 | TYR | CD1 | C | 132.542 | 0.3 | 1 |
375 | 1 | 47 | TYR | CD2 | C | 132.542 | 0.3 | 1 |
376 | 1 | 47 | TYR | CE1 | C | 117.751 | 0.3 | 1 |
377 | 1 | 47 | TYR | CE2 | C | 117.751 | 0.3 | 1 |
378 | 1 | 48 | GLY | HA2 | H | 3.714 | 0.020 | 2 |
379 | 1 | 48 | GLY | HA3 | H | 3.872 | 0.020 | 2 |
380 | 1 | 48 | GLY | CA | C | 45.738 | 0.3 | 1 |
381 | 1 | 49 | ASN | HA | H | 4.687 | 0.020 | 1 |
382 | 1 | 49 | ASN | HB2 | H | 2.752 | 0.020 | 2 |
383 | 1 | 49 | ASN | HB3 | H | 3.022 | 0.020 | 2 |
384 | 1 | 49 | ASN | CA | C | 53.286 | 0.3 | 1 |
385 | 1 | 49 | ASN | CB | C | 38.238 | 0.3 | 1 |
386 | 1 | 50 | ALA | HA | H | 5.282 | 0.020 | 1 |
387 | 1 | 50 | ALA | HB1 | H | 1.294 | 0.020 | 1 |
388 | 1 | 50 | ALA | HB2 | H | 1.294 | 0.020 | 1 |
389 | 1 | 50 | ALA | HB3 | H | 1.294 | 0.020 | 1 |
390 | 1 | 50 | ALA | CA | C | 51.102 | 0.3 | 1 |
391 | 1 | 50 | ALA | CB | C | 21.380 | 0.3 | 1 |
392 | 1 | 51 | GLU | HA | H | 4.711 | 0.020 | 1 |
393 | 1 | 51 | GLU | HB2 | H | 2.106 | 0.020 | 1 |
394 | 1 | 51 | GLU | HG2 | H | 2.338 | 0.020 | 2 |
395 | 1 | 51 | GLU | HG3 | H | 2.373 | 0.020 | 2 |
396 | 1 | 51 | GLU | CA | C | 55.137 | 0.3 | 1 |
397 | 1 | 51 | GLU | CB | C | 33.905 | 0.3 | 1 |
398 | 1 | 51 | GLU | CG | C | 35.847 | 0.3 | 1 |
399 | 1 | 52 | VAL | HA | H | 4.860 | 0.020 | 1 |
400 | 1 | 52 | VAL | HB | H | 1.824 | 0.020 | 1 |
401 | 1 | 52 | VAL | HG11 | H | 0.742 | 0.020 | 2 |
402 | 1 | 52 | VAL | HG12 | H | 0.742 | 0.020 | 2 |
403 | 1 | 52 | VAL | HG13 | H | 0.742 | 0.020 | 2 |
404 | 1 | 52 | VAL | HG21 | H | 0.849 | 0.020 | 2 |
405 | 1 | 52 | VAL | HG22 | H | 0.849 | 0.020 | 2 |
406 | 1 | 52 | VAL | HG23 | H | 0.849 | 0.020 | 2 |
407 | 1 | 52 | VAL | CA | C | 61.836 | 0.3 | 1 |
408 | 1 | 52 | VAL | CB | C | 32.556 | 0.3 | 1 |
409 | 1 | 52 | VAL | CG1 | C | 20.945 | 0.3 | 1 |
410 | 1 | 52 | VAL | CG2 | C | 21.384 | 0.3 | 1 |
411 | 1 | 53 | THR | HA | H | 5.117 | 0.020 | 1 |
412 | 1 | 53 | THR | HB | H | 3.753 | 0.020 | 1 |
413 | 1 | 53 | THR | HG21 | H | 1.005 | 0.020 | 1 |
414 | 1 | 53 | THR | HG22 | H | 1.005 | 0.020 | 1 |
415 | 1 | 53 | THR | HG23 | H | 1.005 | 0.020 | 1 |
416 | 1 | 53 | THR | CA | C | 58.217 | 0.3 | 1 |
417 | 1 | 53 | THR | CB | C | 73.306 | 0.3 | 1 |
418 | 1 | 53 | THR | CG2 | C | 19.842 | 0.3 | 1 |
419 | 1 | 54 | PRO | HA | H | 4.548 | 0.020 | 1 |
420 | 1 | 54 | PRO | HB2 | H | 1.711 | 0.020 | 1 |
421 | 1 | 54 | PRO | HG2 | H | 1.875 | 0.020 | 2 |
422 | 1 | 54 | PRO | HG3 | H | 2.025 | 0.020 | 2 |
423 | 1 | 54 | PRO | HD2 | H | 3.716 | 0.020 | 2 |
424 | 1 | 54 | PRO | HD3 | H | 3.899 | 0.020 | 2 |
425 | 1 | 54 | PRO | CA | C | 63.313 | 0.3 | 1 |
426 | 1 | 54 | PRO | CG | C | 28.001 | 0.3 | 1 |
427 | 1 | 54 | PRO | CD | C | 52.213 | 0.3 | 1 |
428 | 1 | 55 | LEU | HA | H | 3.608 | 0.020 | 1 |
429 | 1 | 55 | LEU | HB2 | H | 1.401 | 0.020 | 2 |
430 | 1 | 55 | LEU | HB3 | H | 1.510 | 0.020 | 2 |
431 | 1 | 55 | LEU | HG | H | 1.146 | 0.020 | 1 |
432 | 1 | 55 | LEU | HD11 | H | 0.734 | 0.020 | 2 |
433 | 1 | 55 | LEU | HD12 | H | 0.734 | 0.020 | 2 |
434 | 1 | 55 | LEU | HD13 | H | 0.734 | 0.020 | 2 |
435 | 1 | 55 | LEU | HD21 | H | 0.603 | 0.020 | 2 |
436 | 1 | 55 | LEU | HD22 | H | 0.603 | 0.020 | 2 |
437 | 1 | 55 | LEU | HD23 | H | 0.603 | 0.020 | 2 |
438 | 1 | 55 | LEU | CA | C | 57.618 | 0.3 | 1 |
439 | 1 | 55 | LEU | CB | C | 42.264 | 0.3 | 1 |
440 | 1 | 55 | LEU | CG | C | 27.475 | 0.3 | 1 |
441 | 1 | 55 | LEU | CD1 | C | 25.333 | 0.3 | 1 |
442 | 1 | 55 | LEU | CD2 | C | 23.711 | 0.3 | 1 |
443 | 1 | 56 | LEU | HA | H | 4.173 | 0.020 | 1 |
444 | 1 | 56 | LEU | HB3 | H | 1.587 | 0.020 | 1 |
445 | 1 | 56 | LEU | HG | H | 1.717 | 0.020 | 1 |
446 | 1 | 56 | LEU | HD11 | H | 0.901 | 0.020 | 2 |
447 | 1 | 56 | LEU | HD12 | H | 0.901 | 0.020 | 2 |
448 | 1 | 56 | LEU | HD13 | H | 0.901 | 0.020 | 2 |
449 | 1 | 56 | LEU | HD21 | H | 0.897 | 0.020 | 2 |
450 | 1 | 56 | LEU | HD22 | H | 0.897 | 0.020 | 2 |
451 | 1 | 56 | LEU | HD23 | H | 0.897 | 0.020 | 2 |
452 | 1 | 56 | LEU | CA | C | 56.631 | 0.3 | 1 |
453 | 1 | 56 | LEU | CB | C | 42.042 | 0.3 | 1 |
454 | 1 | 56 | LEU | CG | C | 26.989 | 0.3 | 1 |
455 | 1 | 56 | LEU | CD1 | C | 24.674 | 0.3 | 1 |
456 | 1 | 56 | LEU | CD2 | C | 23.825 | 0.3 | 1 |
457 | 1 | 57 | ASN | HB2 | H | 2.547 | 0.020 | 2 |
458 | 1 | 57 | ASN | HB3 | H | 2.724 | 0.020 | 2 |
459 | 1 | 57 | ASN | CB | C | 38.872 | 0.3 | 1 |
460 | 1 | 58 | LEU | HA | H | 4.479 | 0.020 | 1 |
461 | 1 | 58 | LEU | HB2 | H | 0.401 | 0.020 | 2 |
462 | 1 | 58 | LEU | HB3 | H | 1.510 | 0.020 | 2 |
463 | 1 | 58 | LEU | HG | H | 1.461 | 0.020 | 1 |
464 | 1 | 58 | LEU | HD11 | H | -0.205 | 0.020 | 2 |
465 | 1 | 58 | LEU | HD12 | H | -0.205 | 0.020 | 2 |
466 | 1 | 58 | LEU | HD13 | H | -0.205 | 0.020 | 2 |
467 | 1 | 58 | LEU | HD21 | H | 0.408 | 0.020 | 2 |
468 | 1 | 58 | LEU | HD22 | H | 0.408 | 0.020 | 2 |
469 | 1 | 58 | LEU | HD23 | H | 0.408 | 0.020 | 2 |
470 | 1 | 58 | LEU | CA | C | 54.479 | 0.3 | 1 |
471 | 1 | 58 | LEU | CB | C | 42.219 | 0.3 | 1 |
472 | 1 | 58 | LEU | CG | C | 25.913 | 0.3 | 1 |
473 | 1 | 58 | LEU | CD1 | C | 24.566 | 0.3 | 1 |
474 | 1 | 58 | LEU | CD2 | C | 23.007 | 0.3 | 1 |
475 | 1 | 59 | LYS | HA | H | 5.134 | 0.020 | 1 |
476 | 1 | 59 | LYS | HB2 | H | 1.601 | 0.020 | 2 |
477 | 1 | 59 | LYS | HB3 | H | 1.904 | 0.020 | 2 |
478 | 1 | 59 | LYS | HG2 | H | 1.419 | 0.020 | 1 |
479 | 1 | 59 | LYS | HD2 | H | 1.614 | 0.020 | 1 |
480 | 1 | 59 | LYS | CA | C | 53.000 | 0.3 | 1 |
481 | 1 | 59 | LYS | CB | C | 34.475 | 0.3 | 1 |
482 | 1 | 59 | LYS | CG | C | 24.681 | 0.3 | 1 |
483 | 1 | 59 | LYS | CD | C | 28.798 | 0.3 | 1 |
484 | 1 | 60 | PRO | HA | H | 4.836 | 0.020 | 1 |
485 | 1 | 60 | PRO | HB2 | H | 1.763 | 0.020 | 2 |
486 | 1 | 60 | PRO | HB3 | H | 2.112 | 0.020 | 2 |
487 | 1 | 60 | PRO | HG2 | H | 1.581 | 0.020 | 2 |
488 | 1 | 60 | PRO | HG3 | H | 1.890 | 0.020 | 2 |
489 | 1 | 60 | PRO | HD2 | H | 3.591 | 0.020 | 2 |
490 | 1 | 60 | PRO | HD3 | H | 3.729 | 0.020 | 2 |
491 | 1 | 60 | PRO | CA | C | 62.660 | 0.3 | 1 |
492 | 1 | 60 | PRO | CB | C | 32.248 | 0.3 | 1 |
493 | 1 | 60 | PRO | CG | C | 27.444 | 0.3 | 1 |
494 | 1 | 60 | PRO | CD | C | 50.695 | 0.3 | 1 |
495 | 1 | 61 | VAL | HA | H | 3.853 | 0.020 | 1 |
496 | 1 | 61 | VAL | HB | H | 1.954 | 0.020 | 1 |
497 | 1 | 61 | VAL | HG11 | H | 0.826 | 0.020 | 2 |
498 | 1 | 61 | VAL | HG12 | H | 0.826 | 0.020 | 2 |
499 | 1 | 61 | VAL | HG13 | H | 0.826 | 0.020 | 2 |
500 | 1 | 61 | VAL | HG21 | H | 0.838 | 0.020 | 2 |
501 | 1 | 61 | VAL | HG22 | H | 0.838 | 0.020 | 2 |
502 | 1 | 61 | VAL | HG23 | H | 0.838 | 0.020 | 2 |
503 | 1 | 61 | VAL | CA | C | 62.773 | 0.3 | 1 |
504 | 1 | 61 | VAL | CB | C | 32.172 | 0.3 | 1 |
505 | 1 | 61 | VAL | CG1 | C | 20.910 | 0.3 | 1 |
506 | 1 | 61 | VAL | CG2 | C | 21.329 | 0.3 | 1 |
507 | 1 | 62 | GLU | HA | H | 4.269 | 0.020 | 1 |
508 | 1 | 62 | GLU | HB2 | H | 1.849 | 0.020 | 2 |
509 | 1 | 62 | GLU | HB3 | H | 2.007 | 0.020 | 2 |
510 | 1 | 62 | GLU | HG2 | H | 2.165 | 0.020 | 1 |
511 | 1 | 62 | GLU | CA | C | 56.069 | 0.3 | 1 |
512 | 1 | 62 | GLU | CB | C | 30.653 | 0.3 | 1 |
513 | 1 | 62 | GLU | CG | C | 36.260 | 0.3 | 1 |
514 | 1 | 63 | GLU | HA | H | 4.236 | 0.020 | 1 |
515 | 1 | 63 | GLU | CA | C | 56.356 | 0.3 | 1 |
516 | 2 | 1 | ZTI | H1 | H | 8.195 | 0.020 | 1 |
517 | 2 | 1 | ZTI | H2 | H | 7.575 | 0.020 | 1 |
518 | 2 | 1 | ZTI | H31 | H | 7.066 | 0.020 | 1 |
519 | 2 | 1 | ZTI | H4 | H | 7.497 | 0.020 | 1 |
520 | 2 | 1 | ZTI | H7 | H | 7.099 | 0.020 | 1 |