NMR solution structure of the De novo designed small beta-barrel protein 33_bp_sh3
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 1 | MET | HA | H | 3.980 | 0.000 | |
2 | 1 | 1 | MET | HB2 | H | 2.056 | 0.000 | |
3 | 1 | 1 | MET | HB3 | H | 2.056 | 0.000 | |
4 | 1 | 1 | MET | HG2 | H | 2.558 | 0.000 | |
5 | 1 | 1 | MET | HG3 | H | 2.558 | 0.000 | |
6 | 1 | 1 | MET | HE1 | H | 2.042 | 0.000 | |
7 | 1 | 1 | MET | HE2 | H | 2.042 | 0.000 | |
8 | 1 | 1 | MET | HE3 | H | 2.042 | 0.000 | |
9 | 1 | 1 | MET | CA | C | 55.786 | 0.000 | |
10 | 1 | 1 | MET | CB | C | 34.098 | 0.000 | |
11 | 1 | 1 | MET | CG | C | 31.509 | 0.000 | |
12 | 1 | 1 | MET | CE | C | 17.290 | 0.000 | |
13 | 1 | 2 | ASP | HA | H | 4.614 | 0.000 | |
14 | 1 | 2 | ASP | HB2 | H | 2.686 | 0.000 | |
15 | 1 | 2 | ASP | HB3 | H | 2.613 | 0.000 | |
16 | 1 | 2 | ASP | C | C | 175.851 | 0.000 | |
17 | 1 | 2 | ASP | CA | C | 55.152 | 0.000 | |
18 | 1 | 2 | ASP | CB | C | 41.990 | 0.000 | |
19 | 1 | 3 | GLY | H | H | 8.243 | 0.000 | |
20 | 1 | 3 | GLY | HA2 | H | 3.789 | 0.000 | |
21 | 1 | 3 | GLY | HA3 | H | 3.639 | 0.000 | |
22 | 1 | 3 | GLY | C | C | 173.809 | 0.000 | |
23 | 1 | 3 | GLY | CA | C | 45.498 | 0.000 | |
24 | 1 | 3 | GLY | N | N | 108.112 | 0.000 | |
25 | 1 | 4 | PHE | H | H | 7.592 | 0.000 | |
26 | 1 | 4 | PHE | HA | H | 4.501 | 0.000 | |
27 | 1 | 4 | PHE | HB2 | H | 2.897 | 0.000 | |
28 | 1 | 4 | PHE | HB3 | H | 2.586 | 0.000 | |
29 | 1 | 4 | PHE | HD1 | H | 6.842 | 0.000 | |
30 | 1 | 4 | PHE | HD2 | H | 6.842 | 0.000 | |
31 | 1 | 4 | PHE | HE1 | H | 7.129 | 0.000 | |
32 | 1 | 4 | PHE | HE2 | H | 7.129 | 0.000 | |
33 | 1 | 4 | PHE | HZ | H | 7.235 | 0.000 | |
34 | 1 | 4 | PHE | C | C | 174.595 | 0.000 | |
35 | 1 | 4 | PHE | CA | C | 57.183 | 0.000 | |
36 | 1 | 4 | PHE | CB | C | 39.546 | 0.000 | |
37 | 1 | 4 | PHE | CD1 | C | 131.532 | 0.000 | |
38 | 1 | 4 | PHE | CE1 | C | 131.532 | 0.000 | |
39 | 1 | 4 | PHE | CZ | C | 129.978 | 0.000 | |
40 | 1 | 4 | PHE | N | N | 119.503 | 0.000 | |
41 | 1 | 5 | ASP | H | H | 7.828 | 0.001 | |
42 | 1 | 5 | ASP | HA | H | 4.673 | 0.000 | |
43 | 1 | 5 | ASP | HB2 | H | 2.696 | 0.000 | |
44 | 1 | 5 | ASP | HB3 | H | 2.503 | 0.000 | |
45 | 1 | 5 | ASP | C | C | 175.904 | 0.000 | |
46 | 1 | 5 | ASP | CA | C | 53.951 | 0.000 | |
47 | 1 | 5 | ASP | CB | C | 42.611 | 0.000 | |
48 | 1 | 5 | ASP | N | N | 120.850 | 0.000 | |
49 | 1 | 6 | ARG | H | H | 8.447 | 0.001 | |
50 | 1 | 6 | ARG | HA | H | 3.880 | 0.000 | |
51 | 1 | 6 | ARG | HB2 | H | 1.848 | 0.000 | |
52 | 1 | 6 | ARG | HB3 | H | 1.848 | 0.000 | |
53 | 1 | 6 | ARG | HG2 | H | 1.831 | 0.000 | |
54 | 1 | 6 | ARG | HG3 | H | 1.634 | 0.000 | |
55 | 1 | 6 | ARG | HD2 | H | 3.297 | 0.000 | |
56 | 1 | 6 | ARG | HD3 | H | 3.297 | 0.000 | |
57 | 1 | 6 | ARG | C | C | 177.618 | 0.000 | |
58 | 1 | 6 | ARG | CA | C | 58.343 | 0.000 | |
59 | 1 | 6 | ARG | CB | C | 30.264 | 0.000 | |
60 | 1 | 6 | ARG | CG | C | 27.737 | 0.000 | |
61 | 1 | 6 | ARG | CD | C | 44.062 | 0.000 | |
62 | 1 | 6 | ARG | N | N | 121.302 | 0.000 | |
63 | 1 | 7 | GLY | H | H | 9.032 | 0.001 | |
64 | 1 | 7 | GLY | HA2 | H | 4.325 | 0.000 | |
65 | 1 | 7 | GLY | HA3 | H | 3.743 | 0.000 | |
66 | 1 | 7 | GLY | C | C | 173.929 | 0.000 | |
67 | 1 | 7 | GLY | CA | C | 45.511 | 0.000 | |
68 | 1 | 7 | GLY | N | N | 113.548 | 0.000 | |
69 | 1 | 8 | ALA | H | H | 8.067 | 0.000 | |
70 | 1 | 8 | ALA | HA | H | 4.386 | 0.000 | |
71 | 1 | 8 | ALA | HB1 | H | 1.499 | 0.000 | |
72 | 1 | 8 | ALA | HB2 | H | 1.499 | 0.000 | |
73 | 1 | 8 | ALA | HB3 | H | 1.499 | 0.000 | |
74 | 1 | 8 | ALA | C | C | 176.878 | 0.000 | |
75 | 1 | 8 | ALA | CA | C | 52.832 | 0.000 | |
76 | 1 | 8 | ALA | CB | C | 20.072 | 0.000 | |
77 | 1 | 8 | ALA | N | N | 123.367 | 0.000 | |
78 | 1 | 9 | ASP | H | H | 8.247 | 0.000 | |
79 | 1 | 9 | ASP | HA | H | 5.423 | 0.000 | |
80 | 1 | 9 | ASP | HB2 | H | 2.632 | 0.000 | |
81 | 1 | 9 | ASP | HB3 | H | 2.493 | 0.000 | |
82 | 1 | 9 | ASP | C | C | 176.768 | 0.000 | |
83 | 1 | 9 | ASP | CA | C | 54.489 | 0.000 | |
84 | 1 | 9 | ASP | CB | C | 42.694 | 0.000 | |
85 | 1 | 9 | ASP | N | N | 119.751 | 0.000 | |
86 | 1 | 10 | VAL | H | H | 9.012 | 0.001 | |
87 | 1 | 10 | VAL | HA | H | 4.953 | 0.000 | |
88 | 1 | 10 | VAL | HB | H | 2.042 | 0.000 | |
89 | 1 | 10 | VAL | HG11 | H | 0.811 | 0.000 | |
90 | 1 | 10 | VAL | HG12 | H | 0.811 | 0.000 | |
91 | 1 | 10 | VAL | HG13 | H | 0.811 | 0.000 | |
92 | 1 | 10 | VAL | HG21 | H | 0.839 | 0.000 | |
93 | 1 | 10 | VAL | HG22 | H | 0.839 | 0.000 | |
94 | 1 | 10 | VAL | HG23 | H | 0.839 | 0.000 | |
95 | 1 | 10 | VAL | C | C | 174.828 | 0.000 | |
96 | 1 | 10 | VAL | CA | C | 59.793 | 0.000 | |
97 | 1 | 10 | VAL | CB | C | 35.609 | 0.000 | |
98 | 1 | 10 | VAL | CG1 | C | 22.682 | 0.000 | |
99 | 1 | 10 | VAL | CG2 | C | 20.610 | 0.000 | |
100 | 1 | 10 | VAL | N | N | 116.997 | 0.000 | |
101 | 1 | 11 | THR | H | H | 8.839 | 0.001 | |
102 | 1 | 11 | THR | HA | H | 5.313 | 0.000 | |
103 | 1 | 11 | THR | HB | H | 3.952 | 0.000 | |
104 | 1 | 11 | THR | HG21 | H | 1.105 | 0.000 | |
105 | 1 | 11 | THR | HG22 | H | 1.105 | 0.000 | |
106 | 1 | 11 | THR | HG23 | H | 1.105 | 0.000 | |
107 | 1 | 11 | THR | C | C | 173.638 | 0.000 | |
108 | 1 | 11 | THR | CA | C | 61.201 | 0.000 | |
109 | 1 | 11 | THR | CB | C | 71.698 | 0.000 | |
110 | 1 | 11 | THR | CG2 | C | 22.019 | 0.000 | |
111 | 1 | 11 | THR | N | N | 116.152 | 0.000 | |
112 | 1 | 12 | TYR | H | H | 8.874 | 0.000 | |
113 | 1 | 12 | TYR | HA | H | 4.868 | 0.000 | |
114 | 1 | 12 | TYR | HB2 | H | 2.736 | 0.000 | |
115 | 1 | 12 | TYR | HB3 | H | 2.642 | 0.000 | |
116 | 1 | 12 | TYR | HD1 | H | 6.829 | 0.000 | |
117 | 1 | 12 | TYR | HD2 | H | 6.829 | 0.000 | |
118 | 1 | 12 | TYR | HE1 | H | 6.670 | 0.000 | |
119 | 1 | 12 | TYR | HE2 | H | 6.670 | 0.000 | |
120 | 1 | 12 | TYR | C | C | 174.273 | 0.000 | |
121 | 1 | 12 | TYR | CA | C | 56.768 | 0.000 | |
122 | 1 | 12 | TYR | CB | C | 42.900 | 0.000 | |
123 | 1 | 12 | TYR | CD1 | C | 133.344 | 0.000 | |
124 | 1 | 12 | TYR | CE1 | C | 118.584 | 0.000 | |
125 | 1 | 12 | TYR | N | N | 125.409 | 0.000 | |
126 | 1 | 13 | THR | H | H | 7.900 | 0.000 | |
127 | 1 | 13 | THR | HA | H | 4.699 | 0.000 | |
128 | 1 | 13 | THR | HB | H | 3.876 | 0.000 | |
129 | 1 | 13 | THR | HG21 | H | 1.118 | 0.000 | |
130 | 1 | 13 | THR | HG22 | H | 1.118 | 0.000 | |
131 | 1 | 13 | THR | HG23 | H | 1.118 | 0.000 | |
132 | 1 | 13 | THR | C | C | 173.359 | 0.000 | |
133 | 1 | 13 | THR | CA | C | 61.933 | 0.000 | |
134 | 1 | 13 | THR | CB | C | 69.833 | 0.000 | |
135 | 1 | 13 | THR | CG2 | C | 21.356 | 0.000 | |
136 | 1 | 13 | THR | N | N | 123.085 | 0.000 | |
137 | 1 | 14 | ASP | H | H | 8.560 | 0.000 | |
138 | 1 | 14 | ASP | HA | H | 4.651 | 0.000 | |
139 | 1 | 14 | ASP | HB2 | H | 3.032 | 0.000 | |
140 | 1 | 14 | ASP | HB3 | H | 2.779 | 0.000 | |
141 | 1 | 14 | ASP | C | C | 178.495 | 0.000 | |
142 | 1 | 14 | ASP | CA | C | 53.081 | 0.000 | |
143 | 1 | 14 | ASP | CB | C | 42.819 | 0.000 | |
144 | 1 | 14 | ASP | N | N | 126.266 | 0.000 | |
145 | 1 | 15 | SER | H | H | 9.120 | 0.006 | |
146 | 1 | 15 | SER | HA | H | 4.207 | 0.000 | |
147 | 1 | 15 | SER | HB2 | H | 4.014 | 0.000 | |
148 | 1 | 15 | SER | HB3 | H | 3.981 | 0.000 | |
149 | 1 | 15 | SER | C | C | 175.018 | 0.000 | |
150 | 1 | 15 | SER | CA | C | 61.284 | 0.000 | |
151 | 1 | 15 | SER | CB | C | 63.576 | 0.000 | |
152 | 1 | 15 | SER | N | N | 116.785 | 0.000 | |
153 | 1 | 16 | ASP | H | H | 8.121 | 0.000 | |
154 | 1 | 16 | ASP | HA | H | 4.663 | 0.000 | |
155 | 1 | 16 | ASP | HB2 | H | 2.978 | 0.000 | |
156 | 1 | 16 | ASP | HB3 | H | 2.733 | 0.000 | |
157 | 1 | 16 | ASP | C | C | 177.233 | 0.000 | |
158 | 1 | 16 | ASP | CA | C | 54.034 | 0.000 | |
159 | 1 | 16 | ASP | CB | C | 40.871 | 0.000 | |
160 | 1 | 16 | ASP | N | N | 119.554 | 0.000 | |
161 | 1 | 17 | GLY | H | H | 8.209 | 0.001 | |
162 | 1 | 17 | GLY | HA2 | H | 4.262 | 0.000 | |
163 | 1 | 17 | GLY | HA3 | H | 3.560 | 0.000 | |
164 | 1 | 17 | GLY | C | C | 174.663 | 0.000 | |
165 | 1 | 17 | GLY | CA | C | 45.540 | 0.000 | |
166 | 1 | 17 | GLY | N | N | 108.827 | 0.000 | |
167 | 1 | 18 | SER | H | H | 8.261 | 0.003 | |
168 | 1 | 18 | SER | HA | H | 4.370 | 0.000 | |
169 | 1 | 18 | SER | HB2 | H | 3.970 | 0.000 | |
170 | 1 | 18 | SER | HB3 | H | 3.912 | 0.000 | |
171 | 1 | 18 | SER | C | C | 173.399 | 0.000 | |
172 | 1 | 18 | SER | CA | C | 59.192 | 0.000 | |
173 | 1 | 18 | SER | CB | C | 64.115 | 0.000 | |
174 | 1 | 18 | SER | N | N | 118.114 | 0.000 | |
175 | 1 | 19 | LYS | H | H | 8.388 | 0.000 | |
176 | 1 | 19 | LYS | HA | H | 4.944 | 0.000 | |
177 | 1 | 19 | LYS | HB2 | H | 1.699 | 0.000 | |
178 | 1 | 19 | LYS | HB3 | H | 1.645 | 0.000 | |
179 | 1 | 19 | LYS | HG2 | H | 1.407 | 0.000 | |
180 | 1 | 19 | LYS | HG3 | H | 1.350 | 0.000 | |
181 | 1 | 19 | LYS | HD2 | H | 1.602 | 0.000 | |
182 | 1 | 19 | LYS | HD3 | H | 1.602 | 0.000 | |
183 | 1 | 19 | LYS | HE2 | H | 2.943 | 0.000 | |
184 | 1 | 19 | LYS | HE3 | H | 2.943 | 0.000 | |
185 | 1 | 19 | LYS | C | C | 176.581 | 0.000 | |
186 | 1 | 19 | LYS | CA | C | 56.050 | 0.000 | |
187 | 1 | 19 | LYS | CB | C | 34.160 | 0.000 | |
188 | 1 | 19 | LYS | CG | C | 25.251 | 0.000 | |
189 | 1 | 19 | LYS | CD | C | 29.643 | 0.000 | |
190 | 1 | 19 | LYS | CE | C | 42.514 | 0.000 | |
191 | 1 | 19 | LYS | N | N | 122.532 | 0.000 | |
192 | 1 | 20 | LYS | H | H | 8.743 | 0.000 | |
193 | 1 | 20 | LYS | HA | H | 4.547 | 0.000 | |
194 | 1 | 20 | LYS | HB2 | H | 1.602 | 0.000 | |
195 | 1 | 20 | LYS | HB3 | H | 1.562 | 0.000 | |
196 | 1 | 20 | LYS | HG2 | H | 1.462 | 0.000 | |
197 | 1 | 20 | LYS | HG3 | H | 1.363 | 0.000 | |
198 | 1 | 20 | LYS | HD2 | H | 1.757 | 0.000 | |
199 | 1 | 20 | LYS | HD3 | H | 1.699 | 0.000 | |
200 | 1 | 20 | LYS | HE2 | H | 3.032 | 0.000 | |
201 | 1 | 20 | LYS | HE3 | H | 3.032 | 0.000 | |
202 | 1 | 20 | LYS | C | C | 175.107 | 0.000 | |
203 | 1 | 20 | LYS | CA | C | 55.194 | 0.000 | |
204 | 1 | 20 | LYS | CB | C | 36.065 | 0.000 | |
205 | 1 | 20 | LYS | CG | C | 25.582 | 0.000 | |
206 | 1 | 20 | LYS | CD | C | 29.229 | 0.000 | |
207 | 1 | 20 | LYS | CE | C | 42.902 | 0.000 | |
208 | 1 | 20 | LYS | N | N | 124.933 | 0.000 | |
209 | 1 | 21 | THR | H | H | 8.016 | 0.000 | |
210 | 1 | 21 | THR | HA | H | 5.086 | 0.000 | |
211 | 1 | 21 | THR | HB | H | 3.919 | 0.000 | |
212 | 1 | 21 | THR | HG21 | H | 1.159 | 0.000 | |
213 | 1 | 21 | THR | HG22 | H | 1.159 | 0.000 | |
214 | 1 | 21 | THR | HG23 | H | 1.159 | 0.000 | |
215 | 1 | 21 | THR | C | C | 173.638 | 0.000 | |
216 | 1 | 21 | THR | CA | C | 61.674 | 0.000 | |
217 | 1 | 21 | THR | CB | C | 70.870 | 0.000 | |
218 | 1 | 21 | THR | CG2 | C | 21.936 | 0.000 | |
219 | 1 | 21 | THR | N | N | 116.434 | 0.000 | |
220 | 1 | 22 | TYR | H | H | 9.039 | 0.000 | |
221 | 1 | 22 | TYR | HA | H | 5.091 | 0.000 | |
222 | 1 | 22 | TYR | HB2 | H | 2.372 | 0.000 | |
223 | 1 | 22 | TYR | HB3 | H | 3.008 | 0.000 | |
224 | 1 | 22 | TYR | HD1 | H | 6.760 | 0.000 | |
225 | 1 | 22 | TYR | HD2 | H | 6.760 | 0.000 | |
226 | 1 | 22 | TYR | HE1 | H | 6.624 | 0.000 | |
227 | 1 | 22 | TYR | HE2 | H | 6.624 | 0.000 | |
228 | 1 | 22 | TYR | C | C | 174.270 | 0.000 | |
229 | 1 | 22 | TYR | CA | C | 56.147 | 0.000 | |
230 | 1 | 22 | TYR | CB | C | 43.523 | 0.000 | |
231 | 1 | 22 | TYR | CD1 | C | 132.826 | 0.000 | |
232 | 1 | 22 | TYR | CE1 | C | 118.325 | 0.000 | |
233 | 1 | 22 | TYR | N | N | 123.613 | 0.000 | |
234 | 1 | 23 | LYS | H | H | 8.405 | 0.000 | |
235 | 1 | 23 | LYS | HA | H | 5.299 | 0.000 | |
236 | 1 | 23 | LYS | HB2 | H | 1.830 | 0.000 | |
237 | 1 | 23 | LYS | HB3 | H | 1.711 | 0.000 | |
238 | 1 | 23 | LYS | HG2 | H | 1.452 | 0.000 | |
239 | 1 | 23 | LYS | HG3 | H | 1.452 | 0.000 | |
240 | 1 | 23 | LYS | HD2 | H | 1.717 | 0.000 | |
241 | 1 | 23 | LYS | HD3 | H | 1.738 | 0.000 | |
242 | 1 | 23 | LYS | HE2 | H | 3.027 | 0.000 | |
243 | 1 | 23 | LYS | HE3 | H | 3.027 | 0.000 | |
244 | 1 | 23 | LYS | C | C | 177.482 | 0.000 | |
245 | 1 | 23 | LYS | CA | C | 54.845 | 0.000 | |
246 | 1 | 23 | LYS | CB | C | 35.568 | 0.000 | |
247 | 1 | 23 | LYS | CG | C | 24.837 | 0.000 | |
248 | 1 | 23 | LYS | CD | C | 29.311 | 0.000 | |
249 | 1 | 23 | LYS | CE | C | 42.239 | 0.000 | |
250 | 1 | 23 | LYS | N | N | 119.854 | 0.000 | |
251 | 1 | 24 | VAL | H | H | 9.083 | 0.000 | |
252 | 1 | 24 | VAL | HA | H | 3.768 | 0.000 | |
253 | 1 | 24 | VAL | HB | H | 2.345 | 0.000 | |
254 | 1 | 24 | VAL | HG11 | H | 0.727 | 0.000 | |
255 | 1 | 24 | VAL | HG12 | H | 0.727 | 0.000 | |
256 | 1 | 24 | VAL | HG13 | H | 0.727 | 0.000 | |
257 | 1 | 24 | VAL | HG21 | H | 0.961 | 0.000 | |
258 | 1 | 24 | VAL | HG22 | H | 0.961 | 0.000 | |
259 | 1 | 24 | VAL | HG23 | H | 0.961 | 0.000 | |
260 | 1 | 24 | VAL | C | C | 176.462 | 0.000 | |
261 | 1 | 24 | VAL | CA | C | 65.502 | 0.000 | |
262 | 1 | 24 | VAL | CB | C | 32.668 | 0.000 | |
263 | 1 | 24 | VAL | CG1 | C | 21.688 | 0.000 | |
264 | 1 | 24 | VAL | CG2 | C | 23.759 | 0.000 | |
265 | 1 | 24 | VAL | N | N | 124.164 | 0.000 | |
266 | 1 | 25 | LEU | H | H | 9.449 | 0.000 | |
267 | 1 | 25 | LEU | HA | H | 4.640 | 0.000 | |
268 | 1 | 25 | LEU | HB2 | H | 1.511 | 0.000 | |
269 | 1 | 25 | LEU | HB3 | H | 1.511 | 0.000 | |
270 | 1 | 25 | LEU | HG | H | 1.574 | 0.000 | |
271 | 1 | 25 | LEU | HD11 | H | 0.867 | 0.000 | |
272 | 1 | 25 | LEU | HD12 | H | 0.867 | 0.000 | |
273 | 1 | 25 | LEU | HD13 | H | 0.867 | 0.000 | |
274 | 1 | 25 | LEU | HD21 | H | 0.826 | 0.000 | |
275 | 1 | 25 | LEU | HD22 | H | 0.826 | 0.000 | |
276 | 1 | 25 | LEU | HD23 | H | 0.826 | 0.000 | |
277 | 1 | 25 | LEU | C | C | 176.927 | 0.000 | |
278 | 1 | 25 | LEU | CA | C | 56.478 | 0.000 | |
279 | 1 | 25 | LEU | CB | C | 44.020 | 0.000 | |
280 | 1 | 25 | LEU | CG | C | 27.074 | 0.000 | |
281 | 1 | 25 | LEU | CD1 | C | 25.748 | 0.000 | |
282 | 1 | 25 | LEU | CD2 | C | 23.179 | 0.000 | |
283 | 1 | 25 | LEU | N | N | 129.104 | 0.000 | |
284 | 1 | 26 | SER | H | H | 7.962 | 0.000 | |
285 | 1 | 26 | SER | HA | H | 4.601 | 0.000 | |
286 | 1 | 26 | SER | HB2 | H | 3.851 | 0.000 | |
287 | 1 | 26 | SER | HB3 | H | 3.851 | 0.000 | |
288 | 1 | 26 | SER | C | C | 171.745 | 0.000 | |
289 | 1 | 26 | SER | CA | C | 58.136 | 0.000 | |
290 | 1 | 26 | SER | CB | C | 65.110 | 0.000 | |
291 | 1 | 26 | SER | N | N | 110.664 | 0.000 | |
292 | 1 | 27 | TYR | H | H | 8.466 | 0.001 | |
293 | 1 | 27 | TYR | HA | H | 5.280 | 0.000 | |
294 | 1 | 27 | TYR | HB2 | H | 3.051 | 0.000 | |
295 | 1 | 27 | TYR | HB3 | H | 3.051 | 0.000 | |
296 | 1 | 27 | TYR | HD1 | H | 7.063 | 0.000 | |
297 | 1 | 27 | TYR | HD2 | H | 7.063 | 0.000 | |
298 | 1 | 27 | TYR | HE1 | H | 6.768 | 0.000 | |
299 | 1 | 27 | TYR | HE2 | H | 6.768 | 0.000 | |
300 | 1 | 27 | TYR | C | C | 174.746 | 0.000 | |
301 | 1 | 27 | TYR | CA | C | 56.975 | 0.000 | |
302 | 1 | 27 | TYR | CB | C | 41.659 | 0.000 | |
303 | 1 | 27 | TYR | CD1 | C | 133.603 | 0.000 | |
304 | 1 | 27 | TYR | CE1 | C | 118.584 | 0.000 | |
305 | 1 | 27 | TYR | N | N | 120.580 | 0.000 | |
306 | 1 | 28 | SER | H | H | 8.367 | 0.000 | |
307 | 1 | 28 | SER | HA | H | 4.612 | 0.000 | |
308 | 1 | 28 | SER | HB2 | H | 3.846 | 0.000 | |
309 | 1 | 28 | SER | HB3 | H | 3.846 | 0.000 | |
310 | 1 | 28 | SER | C | C | 175.092 | 0.000 | |
311 | 1 | 28 | SER | CA | C | 57.431 | 0.000 | |
312 | 1 | 28 | SER | CB | C | 64.696 | 0.000 | |
313 | 1 | 28 | SER | N | N | 119.125 | 0.000 | |
314 | 1 | 29 | GLY | H | H | 8.433 | 0.001 | |
315 | 1 | 29 | GLY | HA2 | H | 4.068 | 0.000 | |
316 | 1 | 29 | GLY | HA3 | H | 3.662 | 0.000 | |
317 | 1 | 29 | GLY | C | C | 174.234 | 0.000 | |
318 | 1 | 29 | GLY | CA | C | 47.736 | 0.000 | |
319 | 1 | 29 | GLY | N | N | 116.100 | 0.000 | |
320 | 1 | 30 | ASP | H | H | 8.487 | 0.000 | |
321 | 1 | 30 | ASP | HA | H | 4.748 | 0.000 | |
322 | 1 | 30 | ASP | HB2 | H | 2.881 | 0.000 | |
323 | 1 | 30 | ASP | HB3 | H | 2.881 | 0.000 | |
324 | 1 | 30 | ASP | C | C | 175.729 | 0.000 | |
325 | 1 | 30 | ASP | CA | C | 54.655 | 0.000 | |
326 | 1 | 30 | ASP | CB | C | 41.451 | 0.000 | |
327 | 1 | 30 | ASP | N | N | 122.553 | 0.000 | |
328 | 1 | 31 | LYS | H | H | 7.973 | 0.000 | |
329 | 1 | 31 | LYS | HA | H | 5.040 | 0.000 | |
330 | 1 | 31 | LYS | HB2 | H | 1.924 | 0.000 | |
331 | 1 | 31 | LYS | HB3 | H | 1.559 | 0.000 | |
332 | 1 | 31 | LYS | HG2 | H | 1.459 | 0.000 | |
333 | 1 | 31 | LYS | HG3 | H | 1.459 | 0.000 | |
334 | 1 | 31 | LYS | HD2 | H | 1.631 | 0.000 | |
335 | 1 | 31 | LYS | HD3 | H | 1.479 | 0.000 | |
336 | 1 | 31 | LYS | HE2 | H | 2.978 | 0.000 | |
337 | 1 | 31 | LYS | HE3 | H | 2.978 | 0.000 | |
338 | 1 | 31 | LYS | C | C | 175.613 | 0.000 | |
339 | 1 | 31 | LYS | CA | C | 55.199 | 0.000 | |
340 | 1 | 31 | LYS | CB | C | 35.402 | 0.000 | |
341 | 1 | 31 | LYS | CG | C | 24.919 | 0.000 | |
342 | 1 | 31 | LYS | CD | C | 29.063 | 0.000 | |
343 | 1 | 31 | LYS | CE | C | 42.736 | 0.000 | |
344 | 1 | 31 | LYS | N | N | 119.078 | 0.000 | |
345 | 1 | 32 | VAL | H | H | 9.128 | 0.000 | |
346 | 1 | 32 | VAL | HA | H | 4.673 | 0.000 | |
347 | 1 | 32 | VAL | HB | H | 1.760 | 0.000 | |
348 | 1 | 32 | VAL | HG11 | H | 0.735 | 0.000 | |
349 | 1 | 32 | VAL | HG12 | H | 0.735 | 0.000 | |
350 | 1 | 32 | VAL | HG13 | H | 0.735 | 0.000 | |
351 | 1 | 32 | VAL | HG21 | H | 0.486 | 0.000 | |
352 | 1 | 32 | VAL | HG22 | H | 0.486 | 0.000 | |
353 | 1 | 32 | VAL | HG23 | H | 0.486 | 0.000 | |
354 | 1 | 32 | VAL | C | C | 174.592 | 0.000 | |
355 | 1 | 32 | VAL | CA | C | 60.917 | 0.000 | |
356 | 1 | 32 | VAL | CB | C | 34.781 | 0.000 | |
357 | 1 | 32 | VAL | CG1 | C | 22.268 | 0.000 | |
358 | 1 | 32 | VAL | CG2 | C | 21.688 | 0.000 | |
359 | 1 | 32 | VAL | N | N | 123.531 | 0.000 | |
360 | 1 | 33 | THR | H | H | 9.024 | 0.000 | |
361 | 1 | 33 | THR | HA | H | 5.191 | 0.000 | |
362 | 1 | 33 | THR | HB | H | 4.032 | 0.000 | |
363 | 1 | 33 | THR | HG21 | H | 1.164 | 0.000 | |
364 | 1 | 33 | THR | HG22 | H | 1.164 | 0.000 | |
365 | 1 | 33 | THR | HG23 | H | 1.164 | 0.000 | |
366 | 1 | 33 | THR | C | C | 174.534 | 0.000 | |
367 | 1 | 33 | THR | CA | C | 62.610 | 0.000 | |
368 | 1 | 33 | THR | CB | C | 69.710 | 0.000 | |
369 | 1 | 33 | THR | CG2 | C | 22.102 | 0.000 | |
370 | 1 | 33 | THR | N | N | 124.619 | 0.000 | |
371 | 1 | 34 | VAL | H | H | 9.484 | 0.000 | |
372 | 1 | 34 | VAL | HA | H | 5.378 | 0.001 | |
373 | 1 | 34 | VAL | HB | H | 2.106 | 0.000 | |
374 | 1 | 34 | VAL | HG11 | H | 0.716 | 0.000 | |
375 | 1 | 34 | VAL | HG12 | H | 0.716 | 0.000 | |
376 | 1 | 34 | VAL | HG13 | H | 0.716 | 0.000 | |
377 | 1 | 34 | VAL | HG21 | H | 0.430 | 0.000 | |
378 | 1 | 34 | VAL | HG22 | H | 0.430 | 0.000 | |
379 | 1 | 34 | VAL | HG23 | H | 0.430 | 0.000 | |
380 | 1 | 34 | VAL | C | C | 173.635 | 0.000 | |
381 | 1 | 34 | VAL | CA | C | 58.550 | 0.000 | |
382 | 1 | 34 | VAL | CB | C | 35.941 | 0.000 | |
383 | 1 | 34 | VAL | CG1 | C | 22.185 | 0.000 | |
384 | 1 | 34 | VAL | CG2 | C | 20.196 | 0.000 | |
385 | 1 | 34 | VAL | N | N | 120.931 | 0.000 | |
386 | 1 | 35 | GLN | H | H | 9.261 | 0.000 | |
387 | 1 | 35 | GLN | HA | H | 5.674 | 0.000 | |
388 | 1 | 35 | GLN | HB2 | H | 2.083 | 0.000 | |
389 | 1 | 35 | GLN | HB3 | H | 1.912 | 0.000 | |
390 | 1 | 35 | GLN | HG2 | H | 2.611 | 0.000 | |
391 | 1 | 35 | GLN | HG3 | H | 2.199 | 0.000 | |
392 | 1 | 35 | GLN | HE21 | H | 7.329 | 0.000 | |
393 | 1 | 35 | GLN | HE22 | H | 6.792 | 0.000 | |
394 | 1 | 35 | GLN | C | C | 176.766 | 0.000 | |
395 | 1 | 35 | GLN | CA | C | 54.200 | 0.000 | |
396 | 1 | 35 | GLN | CB | C | 34.076 | 0.000 | |
397 | 1 | 35 | GLN | CG | C | 35.008 | 0.188 | |
398 | 1 | 35 | GLN | N | N | 118.854 | 0.000 | |
399 | 1 | 35 | GLN | NE2 | N | 111.485 | 0.000 | |
400 | 1 | 36 | ASP | H | H | 8.869 | 0.001 | |
401 | 1 | 36 | ASP | HA | H | 5.218 | 0.000 | |
402 | 1 | 36 | ASP | HB2 | H | 3.344 | 0.000 | |
403 | 1 | 36 | ASP | HB3 | H | 2.924 | 0.000 | |
404 | 1 | 36 | ASP | C | C | 178.601 | 0.000 | |
405 | 1 | 36 | ASP | CA | C | 52.791 | 0.000 | |
406 | 1 | 36 | ASP | CB | C | 43.026 | 0.000 | |
407 | 1 | 36 | ASP | N | N | 125.774 | 0.000 | |
408 | 1 | 37 | SER | H | H | 8.790 | 0.000 | |
409 | 1 | 37 | SER | HA | H | 4.255 | 0.000 | |
410 | 1 | 37 | SER | HB2 | H | 4.080 | 0.000 | |
411 | 1 | 37 | SER | HB3 | H | 3.997 | 0.000 | |
412 | 1 | 37 | SER | C | C | 175.230 | 0.000 | |
413 | 1 | 37 | SER | CA | C | 61.450 | 0.000 | |
414 | 1 | 37 | SER | CB | C | 63.535 | 0.000 | |
415 | 1 | 37 | SER | N | N | 114.988 | 0.000 | |
416 | 1 | 38 | ASP | H | H | 8.164 | 0.000 | |
417 | 1 | 38 | ASP | HA | H | 4.847 | 0.000 | |
418 | 1 | 38 | ASP | HB2 | H | 2.823 | 0.000 | |
419 | 1 | 38 | ASP | HB3 | H | 2.823 | 0.000 | |
420 | 1 | 38 | ASP | C | C | 176.781 | 0.000 | |
421 | 1 | 38 | ASP | CA | C | 54.655 | 0.000 | |
422 | 1 | 38 | ASP | CB | C | 41.866 | 0.000 | |
423 | 1 | 38 | ASP | N | N | 120.675 | 0.000 | |
424 | 1 | 39 | GLY | H | H | 8.164 | 0.000 | |
425 | 1 | 39 | GLY | HA2 | H | 3.596 | 0.000 | |
426 | 1 | 39 | GLY | HA3 | H | 4.353 | 0.000 | |
427 | 1 | 39 | GLY | C | C | 174.910 | 0.000 | |
428 | 1 | 39 | GLY | CA | C | 45.581 | 0.000 | |
429 | 1 | 39 | GLY | N | N | 108.253 | 0.000 | |
430 | 1 | 40 | ARG | H | H | 8.500 | 0.001 | |
431 | 1 | 40 | ARG | HA | H | 4.363 | 0.000 | |
432 | 1 | 40 | ARG | HB2 | H | 2.009 | 0.000 | |
433 | 1 | 40 | ARG | HB3 | H | 1.851 | 0.000 | |
434 | 1 | 40 | ARG | HG2 | H | 1.734 | 0.000 | |
435 | 1 | 40 | ARG | HG3 | H | 1.624 | 0.000 | |
436 | 1 | 40 | ARG | HD2 | H | 3.282 | 0.000 | |
437 | 1 | 40 | ARG | HD3 | H | 3.282 | 0.000 | |
438 | 1 | 40 | ARG | C | C | 176.210 | 0.000 | |
439 | 1 | 40 | ARG | CA | C | 57.141 | 0.000 | |
440 | 1 | 40 | ARG | CB | C | 30.844 | 0.000 | |
441 | 1 | 40 | ARG | CG | C | 28.400 | 0.000 | |
442 | 1 | 40 | ARG | CD | C | 43.896 | 0.000 | |
443 | 1 | 40 | ARG | N | N | 123.519 | 0.000 | |
444 | 1 | 41 | THR | H | H | 8.242 | 0.000 | |
445 | 1 | 41 | THR | HA | H | 5.311 | 0.000 | |
446 | 1 | 41 | THR | HB | H | 4.002 | 0.000 | |
447 | 1 | 41 | THR | HG21 | H | 1.110 | 0.000 | |
448 | 1 | 41 | THR | HG22 | H | 1.110 | 0.000 | |
449 | 1 | 41 | THR | HG23 | H | 1.110 | 0.000 | |
450 | 1 | 41 | THR | C | C | 174.539 | 0.000 | |
451 | 1 | 41 | THR | CA | C | 61.508 | 0.000 | |
452 | 1 | 41 | THR | CB | C | 70.786 | 0.000 | |
453 | 1 | 41 | THR | CG2 | C | 22.268 | 0.000 | |
454 | 1 | 41 | THR | N | N | 115.951 | 0.000 | |
455 | 1 | 42 | LEU | H | H | 8.838 | 0.000 | |
456 | 1 | 42 | LEU | HA | H | 4.617 | 0.000 | |
457 | 1 | 42 | LEU | HB2 | H | 1.133 | 0.000 | |
458 | 1 | 42 | LEU | HB3 | H | 1.133 | 0.000 | |
459 | 1 | 42 | LEU | HG | H | 1.375 | 0.000 | |
460 | 1 | 42 | LEU | HD11 | H | 0.737 | 0.000 | |
461 | 1 | 42 | LEU | HD12 | H | 0.737 | 0.000 | |
462 | 1 | 42 | LEU | HD13 | H | 0.737 | 0.000 | |
463 | 1 | 42 | LEU | HD21 | H | 0.790 | 0.000 | |
464 | 1 | 42 | LEU | HD22 | H | 0.790 | 0.000 | |
465 | 1 | 42 | LEU | HD23 | H | 0.790 | 0.000 | |
466 | 1 | 42 | LEU | C | C | 175.041 | 0.000 | |
467 | 1 | 42 | LEU | CA | C | 54.655 | 0.000 | |
468 | 1 | 42 | LEU | CB | C | 46.258 | 0.000 | |
469 | 1 | 42 | LEU | CG | C | 27.737 | 0.000 | |
470 | 1 | 42 | LEU | CD1 | C | 26.315 | 0.000 | |
471 | 1 | 42 | LEU | CD2 | C | 25.000 | 0.000 | |
472 | 1 | 42 | LEU | N | N | 125.879 | 0.000 | |
473 | 1 | 43 | THR | H | H | 8.031 | 0.000 | |
474 | 1 | 43 | THR | HA | H | 5.244 | 0.000 | |
475 | 1 | 43 | THR | HB | H | 3.718 | 0.000 | |
476 | 1 | 43 | THR | HG21 | H | 1.067 | 0.000 | |
477 | 1 | 43 | THR | HG22 | H | 1.067 | 0.000 | |
478 | 1 | 43 | THR | HG23 | H | 1.067 | 0.000 | |
479 | 1 | 43 | THR | C | C | 173.678 | 0.000 | |
480 | 1 | 43 | THR | CA | C | 61.697 | 0.000 | |
481 | 1 | 43 | THR | CB | C | 71.325 | 0.000 | |
482 | 1 | 43 | THR | CG2 | C | 22.102 | 0.000 | |
483 | 1 | 43 | THR | N | N | 115.575 | 0.000 | |
484 | 1 | 44 | PHE | H | H | 8.927 | 0.000 | |
485 | 1 | 44 | PHE | HA | H | 4.883 | 0.000 | |
486 | 1 | 44 | PHE | HB2 | H | 2.483 | 0.000 | |
487 | 1 | 44 | PHE | HB3 | H | 3.078 | 0.000 | |
488 | 1 | 44 | PHE | HD1 | H | 6.810 | 0.000 | |
489 | 1 | 44 | PHE | HD2 | H | 6.810 | 0.000 | |
490 | 1 | 44 | PHE | HE1 | H | 6.405 | 0.000 | |
491 | 1 | 44 | PHE | HE2 | H | 6.405 | 0.000 | |
492 | 1 | 44 | PHE | HZ | H | 6.640 | 0.000 | |
493 | 1 | 44 | PHE | C | C | 175.200 | 0.000 | |
494 | 1 | 44 | PHE | CA | C | 56.354 | 0.000 | |
495 | 1 | 44 | PHE | CB | C | 44.227 | 0.000 | |
496 | 1 | 44 | PHE | CD1 | C | 131.273 | 0.000 | |
497 | 1 | 44 | PHE | CE1 | C | 131.014 | 0.000 | |
498 | 1 | 44 | PHE | CZ | C | 129.460 | 0.000 | |
499 | 1 | 44 | PHE | N | N | 123.358 | 0.000 | |
500 | 1 | 45 | ASP | H | H | 8.427 | 0.000 | |
501 | 1 | 45 | ASP | HA | H | 4.805 | 0.000 | |
502 | 1 | 45 | ASP | HB2 | H | 2.650 | 0.000 | |
503 | 1 | 45 | ASP | HB3 | H | 2.878 | 0.000 | |
504 | 1 | 45 | ASP | C | C | 177.297 | 0.000 | |
505 | 1 | 45 | ASP | CA | C | 55.341 | 0.000 | |
506 | 1 | 45 | ASP | CB | C | 42.114 | 0.000 | |
507 | 1 | 45 | ASP | N | N | 121.209 | 0.000 | |
508 | 1 | 46 | ALA | H | H | 8.749 | 0.000 | |
509 | 1 | 46 | ALA | HA | H | 3.795 | 0.000 | |
510 | 1 | 46 | ALA | HB1 | H | 1.360 | 0.000 | |
511 | 1 | 46 | ALA | HB2 | H | 1.360 | 0.000 | |
512 | 1 | 46 | ALA | HB3 | H | 1.360 | 0.000 | |
513 | 1 | 46 | ALA | C | C | 179.305 | 0.000 | |
514 | 1 | 46 | ALA | CA | C | 55.567 | 0.000 | |
515 | 1 | 46 | ALA | CB | C | 19.284 | 0.000 | |
516 | 1 | 46 | ALA | N | N | 128.447 | 0.000 | |
517 | 1 | 47 | ARG | H | H | 8.668 | 0.000 | |
518 | 1 | 47 | ARG | HA | H | 4.228 | 0.000 | |
519 | 1 | 47 | ARG | HB2 | H | 1.969 | 0.000 | |
520 | 1 | 47 | ARG | HB3 | H | 1.916 | 0.000 | |
521 | 1 | 47 | ARG | HG2 | H | 1.723 | 0.000 | |
522 | 1 | 47 | ARG | HG3 | H | 1.723 | 0.000 | |
523 | 1 | 47 | ARG | HD2 | H | 3.286 | 0.000 | |
524 | 1 | 47 | ARG | HD3 | H | 3.286 | 0.000 | |
525 | 1 | 47 | ARG | C | C | 178.020 | 0.000 | |
526 | 1 | 47 | ARG | CA | C | 58.426 | 0.000 | |
527 | 1 | 47 | ARG | CB | C | 29.974 | 0.000 | |
528 | 1 | 47 | ARG | CG | C | 27.654 | 0.000 | |
529 | 1 | 47 | ARG | CD | C | 43.813 | 0.000 | |
530 | 1 | 47 | ARG | N | N | 114.359 | 0.000 | |
531 | 1 | 48 | LEU | H | H | 7.835 | 0.000 | |
532 | 1 | 48 | LEU | HA | H | 4.386 | 0.000 | |
533 | 1 | 48 | LEU | HB2 | H | 1.944 | 0.000 | |
534 | 1 | 48 | LEU | HB3 | H | 1.799 | 0.000 | |
535 | 1 | 48 | LEU | HG | H | 1.729 | 0.000 | |
536 | 1 | 48 | LEU | HD11 | H | 1.189 | 0.000 | |
537 | 1 | 48 | LEU | HD12 | H | 1.189 | 0.000 | |
538 | 1 | 48 | LEU | HD13 | H | 1.189 | 0.000 | |
539 | 1 | 48 | LEU | HD21 | H | 0.963 | 0.000 | |
540 | 1 | 48 | LEU | HD22 | H | 0.963 | 0.000 | |
541 | 1 | 48 | LEU | HD23 | H | 0.963 | 0.000 | |
542 | 1 | 48 | LEU | C | C | 177.181 | 0.000 | |
543 | 1 | 48 | LEU | CA | C | 55.774 | 0.000 | |
544 | 1 | 48 | LEU | CB | C | 42.778 | 0.000 | |
545 | 1 | 48 | LEU | CG | C | 27.737 | 0.000 | |
546 | 1 | 48 | LEU | CD1 | C | 26.080 | 0.000 | |
547 | 1 | 48 | LEU | CD2 | C | 22.800 | 0.000 | |
548 | 1 | 48 | LEU | N | N | 118.436 | 0.000 | |
549 | 1 | 49 | LEU | H | H | 7.520 | 0.000 | |
550 | 1 | 49 | LEU | HA | H | 4.806 | 0.000 | |
551 | 1 | 49 | LEU | HB2 | H | 1.337 | 0.000 | |
552 | 1 | 49 | LEU | HB3 | H | 1.834 | 0.000 | |
553 | 1 | 49 | LEU | HG | H | 1.517 | 0.000 | |
554 | 1 | 49 | LEU | HD11 | H | 0.468 | 0.000 | |
555 | 1 | 49 | LEU | HD12 | H | 0.468 | 0.000 | |
556 | 1 | 49 | LEU | HD13 | H | 0.468 | 0.000 | |
557 | 1 | 49 | LEU | HD21 | H | 0.644 | 0.000 | |
558 | 1 | 49 | LEU | HD22 | H | 0.644 | 0.000 | |
559 | 1 | 49 | LEU | HD23 | H | 0.644 | 0.000 | |
560 | 1 | 49 | LEU | C | C | 176.969 | 0.000 | |
561 | 1 | 49 | LEU | CA | C | 54.738 | 0.000 | |
562 | 1 | 49 | LEU | CB | C | 44.725 | 0.000 | |
563 | 1 | 49 | LEU | CG | C | 26.743 | 0.000 | |
564 | 1 | 49 | LEU | CD1 | C | 23.100 | 0.000 | |
565 | 1 | 49 | LEU | CD2 | C | 26.000 | 0.000 | |
566 | 1 | 49 | LEU | N | N | 118.229 | 0.000 | |
567 | 1 | 50 | ARG | H | H | 8.105 | 0.000 | |
568 | 1 | 50 | ARG | HA | H | 4.636 | 0.000 | |
569 | 1 | 50 | ARG | HB2 | H | 1.834 | 0.000 | |
570 | 1 | 50 | ARG | HB3 | H | 1.795 | 0.000 | |
571 | 1 | 50 | ARG | HG2 | H | 1.664 | 0.000 | |
572 | 1 | 50 | ARG | HG3 | H | 1.616 | 0.000 | |
573 | 1 | 50 | ARG | HD2 | H | 3.241 | 0.000 | |
574 | 1 | 50 | ARG | HD3 | H | 3.166 | 0.000 | |
575 | 1 | 50 | ARG | C | C | 176.591 | 0.000 | |
576 | 1 | 50 | ARG | CA | C | 55.484 | 0.000 | |
577 | 1 | 50 | ARG | CB | C | 32.046 | 0.000 | |
578 | 1 | 50 | ARG | CG | C | 27.488 | 0.000 | |
579 | 1 | 50 | ARG | CD | C | 43.896 | 0.000 | |
580 | 1 | 50 | ARG | N | N | 117.988 | 0.000 | |
581 | 1 | 51 | VAL | H | H | 8.161 | 0.001 | |
582 | 1 | 51 | VAL | HA | H | 4.124 | 0.000 | |
583 | 1 | 51 | VAL | HB | H | 2.003 | 0.000 | |
584 | 1 | 51 | VAL | HG11 | H | 0.828 | 0.000 | |
585 | 1 | 51 | VAL | HG12 | H | 0.828 | 0.000 | |
586 | 1 | 51 | VAL | HG13 | H | 0.828 | 0.000 | |
587 | 1 | 51 | VAL | HG21 | H | 0.790 | 0.000 | |
588 | 1 | 51 | VAL | HG22 | H | 0.790 | 0.000 | |
589 | 1 | 51 | VAL | HG23 | H | 0.790 | 0.000 | |
590 | 1 | 51 | VAL | C | C | 176.408 | 0.000 | |
591 | 1 | 51 | VAL | CA | C | 63.375 | 0.000 | |
592 | 1 | 51 | VAL | CB | C | 32.709 | 0.000 | |
593 | 1 | 51 | VAL | CG1 | C | 21.770 | 0.000 | |
594 | 1 | 51 | VAL | CG2 | C | 21.439 | 0.000 | |
595 | 1 | 51 | VAL | N | N | 121.334 | 0.000 | |
596 | 1 | 52 | LYS | H | H | 8.276 | 0.001 | |
597 | 1 | 52 | LYS | HA | H | 4.165 | 0.000 | |
598 | 1 | 52 | LYS | HB2 | H | 1.708 | 0.000 | |
599 | 1 | 52 | LYS | HB3 | H | 1.620 | 0.000 | |
600 | 1 | 52 | LYS | HG2 | H | 1.282 | 0.000 | |
601 | 1 | 52 | LYS | HG3 | H | 1.282 | 0.000 | |
602 | 1 | 52 | LYS | HD2 | H | 1.578 | 0.000 | |
603 | 1 | 52 | LYS | HD3 | H | 1.578 | 0.000 | |
604 | 1 | 52 | LYS | HE2 | H | 2.832 | 0.000 | |
605 | 1 | 52 | LYS | HE3 | H | 2.832 | 0.000 | |
606 | 1 | 52 | LYS | C | C | 176.674 | 0.000 | |
607 | 1 | 52 | LYS | CA | C | 57.721 | 0.000 | |
608 | 1 | 52 | LYS | CB | C | 33.127 | 0.000 | |
609 | 1 | 52 | LYS | CG | C | 25.500 | 0.000 | |
610 | 1 | 52 | LYS | CD | C | 29.525 | 0.000 | |
611 | 1 | 52 | LYS | CE | C | 42.191 | 0.000 | |
612 | 1 | 52 | LYS | N | N | 125.967 | 0.000 | |
613 | 1 | 53 | LYS | H | H | 8.170 | 0.001 | |
614 | 1 | 53 | LYS | HA | H | 4.304 | 0.000 | |
615 | 1 | 53 | LYS | HB2 | H | 1.758 | 0.000 | |
616 | 1 | 53 | LYS | HB3 | H | 1.758 | 0.000 | |
617 | 1 | 53 | LYS | HG2 | H | 1.389 | 0.000 | |
618 | 1 | 53 | LYS | HG3 | H | 1.336 | 0.000 | |
619 | 1 | 53 | LYS | HD2 | H | 1.658 | 0.000 | |
620 | 1 | 53 | LYS | HD3 | H | 1.658 | 0.000 | |
621 | 1 | 53 | LYS | HE2 | H | 2.952 | 0.000 | |
622 | 1 | 53 | LYS | HE3 | H | 2.952 | 0.000 | |
623 | 1 | 53 | LYS | C | C | 176.523 | 0.000 | |
624 | 1 | 53 | LYS | CA | C | 57.042 | 0.000 | |
625 | 1 | 53 | LYS | CB | C | 33.248 | 0.000 | |
626 | 1 | 53 | LYS | CG | C | 25.002 | 0.000 | |
627 | 1 | 53 | LYS | CD | C | 29.560 | 0.000 | |
628 | 1 | 53 | LYS | CE | C | 42.514 | 0.000 | |
629 | 1 | 53 | LYS | N | N | 121.912 | 0.000 | |
630 | 1 | 54 | TRP | H | H | 8.034 | 0.004 | |
631 | 1 | 54 | TRP | HA | H | 4.651 | 0.000 | |
632 | 1 | 54 | TRP | HB2 | H | 3.315 | 0.000 | |
633 | 1 | 54 | TRP | HB3 | H | 3.230 | 0.000 | |
634 | 1 | 54 | TRP | HD1 | H | 7.200 | 0.000 | |
635 | 1 | 54 | TRP | HE1 | H | 10.105 | 0.000 | |
636 | 1 | 54 | TRP | HE3 | H | 7.520 | 0.002 | |
637 | 1 | 54 | TRP | HZ2 | H | 7.360 | 0.000 | |
638 | 1 | 54 | TRP | HZ3 | H | 6.982 | 0.000 | |
639 | 1 | 54 | TRP | HH2 | H | 7.076 | 0.000 | |
640 | 1 | 54 | TRP | C | C | 176.581 | 0.000 | |
641 | 1 | 54 | TRP | CA | C | 58.105 | 0.000 | |
642 | 1 | 54 | TRP | CB | C | 29.809 | 0.000 | |
643 | 1 | 54 | TRP | CD1 | C | 127.388 | 0.000 | |
644 | 1 | 54 | TRP | CE3 | C | 120.900 | 0.000 | |
645 | 1 | 54 | TRP | CZ2 | C | 114.700 | 0.000 | |
646 | 1 | 54 | TRP | CZ3 | C | 122.468 | 0.000 | |
647 | 1 | 54 | TRP | CH2 | C | 124.799 | 0.000 | |
648 | 1 | 54 | TRP | N | N | 122.287 | 0.000 | |
649 | 1 | 54 | TRP | NE1 | N | 129.337 | 0.000 | |
650 | 1 | 55 | LEU | H | H | 8.057 | 0.001 | |
651 | 1 | 55 | LEU | HA | H | 4.230 | 0.000 | |
652 | 1 | 55 | LEU | HB2 | H | 1.550 | 0.000 | |
653 | 1 | 55 | LEU | HB3 | H | 1.471 | 0.000 | |
654 | 1 | 55 | LEU | HG | H | 1.502 | 0.000 | |
655 | 1 | 55 | LEU | HD11 | H | 0.838 | 0.000 | |
656 | 1 | 55 | LEU | HD12 | H | 0.838 | 0.000 | |
657 | 1 | 55 | LEU | HD13 | H | 0.838 | 0.000 | |
658 | 1 | 55 | LEU | HD21 | H | 0.794 | 0.000 | |
659 | 1 | 55 | LEU | HD22 | H | 0.794 | 0.000 | |
660 | 1 | 55 | LEU | HD23 | H | 0.794 | 0.000 | |
661 | 1 | 55 | LEU | C | C | 177.355 | 0.000 | |
662 | 1 | 55 | LEU | CA | C | 55.774 | 0.000 | |
663 | 1 | 55 | LEU | CB | C | 42.694 | 0.000 | |
664 | 1 | 55 | LEU | CG | C | 27.157 | 0.000 | |
665 | 1 | 55 | LEU | CD1 | C | 25.085 | 0.000 | |
666 | 1 | 55 | LEU | CD2 | C | 23.800 | 0.000 | |
667 | 1 | 55 | LEU | N | N | 122.691 | 0.000 | |
668 | 1 | 56 | GLU | H | H | 8.094 | 0.000 | |
669 | 1 | 56 | GLU | HA | H | 4.138 | 0.000 | |
670 | 1 | 56 | GLU | HB2 | H | 1.924 | 0.000 | |
671 | 1 | 56 | GLU | HB3 | H | 1.924 | 0.000 | |
672 | 1 | 56 | GLU | HG2 | H | 2.244 | 0.000 | |
673 | 1 | 56 | GLU | HG3 | H | 2.168 | 0.000 | |
674 | 1 | 56 | GLU | C | C | 177.644 | 0.000 | |
675 | 1 | 56 | GLU | CA | C | 57.405 | 0.000 | |
676 | 1 | 56 | GLU | CB | C | 30.537 | 0.000 | |
677 | 1 | 56 | GLU | CG | C | 36.688 | 0.000 | |
678 | 1 | 56 | GLU | N | N | 120.561 | 0.000 | |
679 | 1 | 57 | HIS | H | H | 7.908 | 0.000 | |
680 | 1 | 57 | HIS | C | C | 177.113 | 0.000 | |
681 | 1 | 57 | HIS | N | N | 115.796 | 0.000 | |
682 | 1 | 58 | HIS | H | H | 7.933 | 0.000 | |
683 | 1 | 58 | HIS | N | N | 121.680 | 0.000 | |
684 | 1 | 59 | HIS | C | C | 178.282 | 0.000 | |
685 | 1 | 60 | HIS | H | H | 8.340 | 0.000 | |
686 | 1 | 60 | HIS | N | N | 114.439 | 0.000 | |
687 | 1 | 61 | HIS | HA | H | 4.587 | 0.000 | |
688 | 1 | 61 | HIS | HB2 | H | 3.045 | 0.000 | |
689 | 1 | 61 | HIS | HB3 | H | 3.045 | 0.000 | |
690 | 1 | 61 | HIS | C | C | 174.195 | 0.000 | |
691 | 1 | 61 | HIS | CA | C | 56.404 | 0.000 | |
692 | 1 | 61 | HIS | CB | C | 30.803 | 0.000 | |
693 | 1 | 62 | HIS | H | H | 7.994 | 0.001 | |
694 | 1 | 62 | HIS | N | N | 125.389 | 0.000 |