NMR solution structure of the De novo designed small beta-barrel protein 29_bp_sh3
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 2 | GLU | HA | H | 4.336 | 0.000 | |
2 | 1 | 2 | GLU | HB2 | H | 2.183 | 0.000 | |
3 | 1 | 2 | GLU | HB3 | H | 2.132 | 0.000 | |
4 | 1 | 2 | GLU | HG2 | H | 2.377 | 0.001 | |
5 | 1 | 2 | GLU | HG3 | H | 2.377 | 0.001 | |
6 | 1 | 2 | GLU | C | C | 177.800 | 0.000 | |
7 | 1 | 2 | GLU | CA | C | 58.964 | 0.000 | |
8 | 1 | 2 | GLU | CB | C | 29.619 | 0.000 | |
9 | 1 | 2 | GLU | CG | C | 36.438 | 0.000 | |
10 | 1 | 3 | VAL | H | H | 8.155 | 0.000 | |
11 | 1 | 3 | VAL | HA | H | 3.690 | 0.000 | |
12 | 1 | 3 | VAL | HB | H | 1.996 | 0.000 | |
13 | 1 | 3 | VAL | HG11 | H | 1.006 | 0.000 | |
14 | 1 | 3 | VAL | HG12 | H | 1.006 | 0.000 | |
15 | 1 | 3 | VAL | HG13 | H | 1.006 | 0.000 | |
16 | 1 | 3 | VAL | HG21 | H | 0.876 | 0.000 | |
17 | 1 | 3 | VAL | HG22 | H | 0.876 | 0.000 | |
18 | 1 | 3 | VAL | HG23 | H | 0.876 | 0.000 | |
19 | 1 | 3 | VAL | C | C | 177.071 | 0.000 | |
20 | 1 | 3 | VAL | CA | C | 66.461 | 0.000 | |
21 | 1 | 3 | VAL | CB | C | 32.295 | 0.000 | |
22 | 1 | 3 | VAL | CG1 | C | 23.035 | 0.000 | |
23 | 1 | 3 | VAL | CG2 | C | 21.651 | 0.000 | |
24 | 1 | 3 | VAL | N | N | 118.697 | 0.000 | |
25 | 1 | 4 | GLU | H | H | 8.062 | 0.000 | |
26 | 1 | 4 | GLU | HA | H | 3.682 | 0.000 | |
27 | 1 | 4 | GLU | HB2 | H | 2.075 | 0.000 | |
28 | 1 | 4 | GLU | HB3 | H | 2.075 | 0.000 | |
29 | 1 | 4 | GLU | HG2 | H | 2.226 | 0.000 | |
30 | 1 | 4 | GLU | HG3 | H | 2.132 | 0.000 | |
31 | 1 | 4 | GLU | C | C | 178.052 | 0.000 | |
32 | 1 | 4 | GLU | CA | C | 60.808 | 0.000 | |
33 | 1 | 4 | GLU | CB | C | 29.809 | 0.000 | |
34 | 1 | 4 | GLU | CG | C | 36.852 | 0.000 | |
35 | 1 | 4 | GLU | N | N | 119.149 | 0.000 | |
36 | 1 | 5 | THR | H | H | 7.847 | 0.000 | |
37 | 1 | 5 | THR | HA | H | 3.857 | 0.000 | |
38 | 1 | 5 | THR | HB | H | 4.321 | 0.000 | |
39 | 1 | 5 | THR | HG21 | H | 1.248 | 0.000 | |
40 | 1 | 5 | THR | HG22 | H | 1.248 | 0.000 | |
41 | 1 | 5 | THR | HG23 | H | 1.248 | 0.000 | |
42 | 1 | 5 | THR | C | C | 176.911 | 0.000 | |
43 | 1 | 5 | THR | CA | C | 66.919 | 0.000 | |
44 | 1 | 5 | THR | CB | C | 68.922 | 0.000 | |
45 | 1 | 5 | THR | CG2 | C | 21.853 | 0.000 | |
46 | 1 | 5 | THR | N | N | 114.624 | 0.000 | |
47 | 1 | 6 | VAL | H | H | 8.106 | 0.000 | |
48 | 1 | 6 | VAL | HA | H | 3.616 | 0.000 | |
49 | 1 | 6 | VAL | HB | H | 1.958 | 0.000 | |
50 | 1 | 6 | VAL | HG11 | H | 1.008 | 0.000 | |
51 | 1 | 6 | VAL | HG12 | H | 1.008 | 0.000 | |
52 | 1 | 6 | VAL | HG13 | H | 1.008 | 0.000 | |
53 | 1 | 6 | VAL | HG21 | H | 0.785 | 0.000 | |
54 | 1 | 6 | VAL | HG22 | H | 0.785 | 0.000 | |
55 | 1 | 6 | VAL | HG23 | H | 0.785 | 0.000 | |
56 | 1 | 6 | VAL | C | C | 178.693 | 0.000 | |
57 | 1 | 6 | VAL | CA | C | 66.520 | 0.000 | |
58 | 1 | 6 | VAL | CB | C | 31.715 | 0.000 | |
59 | 1 | 6 | VAL | CG1 | C | 22.168 | 0.000 | |
60 | 1 | 6 | VAL | CG2 | C | 21.411 | 0.000 | |
61 | 1 | 6 | VAL | N | N | 120.978 | 0.000 | |
62 | 1 | 7 | LEU | H | H | 8.146 | 0.000 | |
63 | 1 | 7 | LEU | HA | H | 4.038 | 0.000 | |
64 | 1 | 7 | LEU | HB2 | H | 2.039 | 0.000 | |
65 | 1 | 7 | LEU | HB3 | H | 1.211 | 0.000 | |
66 | 1 | 7 | LEU | HG | H | 1.996 | 0.000 | |
67 | 1 | 7 | LEU | HD11 | H | 0.790 | 0.000 | |
68 | 1 | 7 | LEU | HD12 | H | 0.790 | 0.000 | |
69 | 1 | 7 | LEU | HD13 | H | 0.790 | 0.000 | |
70 | 1 | 7 | LEU | HD21 | H | 0.715 | 0.000 | |
71 | 1 | 7 | LEU | HD22 | H | 0.715 | 0.000 | |
72 | 1 | 7 | LEU | HD23 | H | 0.715 | 0.000 | |
73 | 1 | 7 | LEU | C | C | 178.543 | 0.000 | |
74 | 1 | 7 | LEU | CA | C | 58.122 | 0.000 | |
75 | 1 | 7 | LEU | CB | C | 42.197 | 0.000 | |
76 | 1 | 7 | LEU | CG | C | 27.100 | 0.000 | |
77 | 1 | 7 | LEU | CD1 | C | 23.925 | 0.000 | |
78 | 1 | 7 | LEU | CD2 | C | 27.300 | 0.000 | |
79 | 1 | 7 | LEU | N | N | 119.589 | 0.000 | |
80 | 1 | 8 | ARG | H | H | 8.499 | 0.000 | |
81 | 1 | 8 | ARG | HA | H | 3.894 | 0.000 | |
82 | 1 | 8 | ARG | HB2 | H | 1.910 | 0.000 | |
83 | 1 | 8 | ARG | HB3 | H | 1.594 | 0.000 | |
84 | 1 | 8 | ARG | HG2 | H | 1.913 | 0.000 | |
85 | 1 | 8 | ARG | HG3 | H | 1.913 | 0.000 | |
86 | 1 | 8 | ARG | HD2 | H | 3.260 | 0.000 | |
87 | 1 | 8 | ARG | HD3 | H | 3.171 | 0.000 | |
88 | 1 | 8 | ARG | C | C | 179.662 | 0.000 | |
89 | 1 | 8 | ARG | CA | C | 60.728 | 0.000 | |
90 | 1 | 8 | ARG | CB | C | 29.850 | 0.000 | |
91 | 1 | 8 | ARG | CG | C | 30.214 | 0.000 | |
92 | 1 | 8 | ARG | CD | C | 43.565 | 0.000 | |
93 | 1 | 8 | ARG | N | N | 119.308 | 0.000 | |
94 | 1 | 9 | LYS | H | H | 7.924 | 0.000 | |
95 | 1 | 9 | LYS | HA | H | 4.168 | 0.000 | |
96 | 1 | 9 | LYS | HB2 | H | 1.993 | 0.000 | |
97 | 1 | 9 | LYS | HB3 | H | 1.927 | 0.000 | |
98 | 1 | 9 | LYS | HG2 | H | 1.631 | 0.000 | |
99 | 1 | 9 | LYS | HG3 | H | 1.510 | 0.000 | |
100 | 1 | 9 | LYS | HD2 | H | 1.641 | 0.000 | |
101 | 1 | 9 | LYS | HD3 | H | 1.641 | 0.000 | |
102 | 1 | 9 | LYS | HE2 | H | 2.877 | 0.002 | |
103 | 1 | 9 | LYS | HE3 | H | 2.877 | 0.002 | |
104 | 1 | 9 | LYS | C | C | 179.165 | 0.000 | |
105 | 1 | 9 | LYS | CA | C | 59.188 | 0.000 | |
106 | 1 | 9 | LYS | CB | C | 32.088 | 0.000 | |
107 | 1 | 9 | LYS | CG | C | 25.417 | 0.000 | |
108 | 1 | 9 | LYS | CD | C | 29.229 | 0.000 | |
109 | 1 | 9 | LYS | CE | C | 42.191 | 0.000 | |
110 | 1 | 9 | LYS | N | N | 119.947 | 0.000 | |
111 | 1 | 10 | ALA | H | H | 8.368 | 0.000 | |
112 | 1 | 10 | ALA | HA | H | 3.975 | 0.000 | |
113 | 1 | 10 | ALA | HB1 | H | 1.496 | 0.000 | |
114 | 1 | 10 | ALA | HB2 | H | 1.496 | 0.000 | |
115 | 1 | 10 | ALA | HB3 | H | 1.496 | 0.000 | |
116 | 1 | 10 | ALA | C | C | 180.325 | 0.000 | |
117 | 1 | 10 | ALA | CA | C | 55.454 | 0.000 | |
118 | 1 | 10 | ALA | CB | C | 18.249 | 0.000 | |
119 | 1 | 10 | ALA | N | N | 121.997 | 0.000 | |
120 | 1 | 11 | ALA | H | H | 8.190 | 0.000 | |
121 | 1 | 11 | ALA | HA | H | 4.229 | 0.000 | |
122 | 1 | 11 | ALA | HB1 | H | 1.381 | 0.000 | |
123 | 1 | 11 | ALA | HB2 | H | 1.381 | 0.000 | |
124 | 1 | 11 | ALA | HB3 | H | 1.381 | 0.000 | |
125 | 1 | 11 | ALA | C | C | 180.531 | 0.000 | |
126 | 1 | 11 | ALA | CA | C | 54.676 | 0.000 | |
127 | 1 | 11 | ALA | CB | C | 17.917 | 0.000 | |
128 | 1 | 11 | ALA | N | N | 120.434 | 0.000 | |
129 | 1 | 12 | GLU | H | H | 7.850 | 0.000 | |
130 | 1 | 12 | GLU | HA | H | 4.095 | 0.000 | |
131 | 1 | 12 | GLU | HB2 | H | 2.258 | 0.000 | |
132 | 1 | 12 | GLU | HB3 | H | 2.187 | 0.000 | |
133 | 1 | 12 | GLU | HG2 | H | 2.555 | 0.000 | |
134 | 1 | 12 | GLU | HG3 | H | 2.333 | 0.000 | |
135 | 1 | 12 | GLU | C | C | 178.278 | 0.000 | |
136 | 1 | 12 | GLU | CA | C | 59.068 | 0.000 | |
137 | 1 | 12 | GLU | CB | C | 30.223 | 0.000 | |
138 | 1 | 12 | GLU | CG | C | 36.604 | 0.000 | |
139 | 1 | 12 | GLU | N | N | 117.353 | 0.000 | |
140 | 1 | 13 | ARG | H | H | 7.617 | 0.000 | |
141 | 1 | 13 | ARG | HA | H | 4.496 | 0.000 | |
142 | 1 | 13 | ARG | HB2 | H | 1.627 | 0.000 | |
143 | 1 | 13 | ARG | HB3 | H | 2.126 | 0.000 | |
144 | 1 | 13 | ARG | HG2 | H | 1.835 | 0.000 | |
145 | 1 | 13 | ARG | HG3 | H | 1.742 | 0.000 | |
146 | 1 | 13 | ARG | HD2 | H | 3.212 | 0.000 | |
147 | 1 | 13 | ARG | HD3 | H | 3.212 | 0.000 | |
148 | 1 | 13 | ARG | C | C | 175.282 | 0.000 | |
149 | 1 | 13 | ARG | CA | C | 55.111 | 0.000 | |
150 | 1 | 13 | ARG | CB | C | 31.010 | 0.000 | |
151 | 1 | 13 | ARG | CG | C | 27.488 | 0.000 | |
152 | 1 | 13 | ARG | CD | C | 43.647 | 0.000 | |
153 | 1 | 13 | ARG | N | N | 114.384 | 0.000 | |
154 | 1 | 14 | ASN | H | H | 7.952 | 0.000 | |
155 | 1 | 14 | ASN | HA | H | 4.624 | 0.000 | |
156 | 1 | 14 | ASN | HB2 | H | 3.108 | 0.000 | |
157 | 1 | 14 | ASN | HB3 | H | 2.717 | 0.000 | |
158 | 1 | 14 | ASN | HD21 | H | 7.491 | 0.000 | |
159 | 1 | 14 | ASN | HD22 | H | 6.832 | 0.000 | |
160 | 1 | 14 | ASN | C | C | 174.592 | 0.000 | |
161 | 1 | 14 | ASN | CA | C | 54.324 | 0.000 | |
162 | 1 | 14 | ASN | CB | C | 37.556 | 0.000 | |
163 | 1 | 14 | ASN | N | N | 118.470 | 0.000 | |
164 | 1 | 14 | ASN | ND2 | N | 111.230 | 0.000 | |
165 | 1 | 15 | LYS | H | H | 8.024 | 0.000 | |
166 | 1 | 15 | LYS | HA | H | 4.464 | 0.000 | |
167 | 1 | 15 | LYS | HB2 | H | 1.427 | 0.000 | |
168 | 1 | 15 | LYS | HB3 | H | 1.705 | 0.000 | |
169 | 1 | 15 | LYS | HG2 | H | 1.217 | 0.000 | |
170 | 1 | 15 | LYS | HG3 | H | 1.141 | 0.000 | |
171 | 1 | 15 | LYS | HD2 | H | 1.531 | 0.000 | |
172 | 1 | 15 | LYS | HD3 | H | 1.531 | 0.000 | |
173 | 1 | 15 | LYS | HE2 | H | 2.764 | 0.000 | |
174 | 1 | 15 | LYS | HE3 | H | 2.764 | 0.000 | |
175 | 1 | 15 | LYS | C | C | 176.298 | 0.000 | |
176 | 1 | 15 | LYS | CA | C | 54.986 | 0.000 | |
177 | 1 | 15 | LYS | CB | C | 34.532 | 0.000 | |
178 | 1 | 15 | LYS | CG | C | 24.422 | 0.000 | |
179 | 1 | 15 | LYS | CD | C | 28.566 | 0.000 | |
180 | 1 | 15 | LYS | CE | C | 42.322 | 0.000 | |
181 | 1 | 15 | LYS | N | N | 117.289 | 0.000 | |
182 | 1 | 16 | THR | H | H | 8.272 | 0.000 | |
183 | 1 | 16 | THR | HA | H | 4.788 | 0.000 | |
184 | 1 | 16 | THR | HB | H | 3.851 | 0.000 | |
185 | 1 | 16 | THR | HG21 | H | 1.080 | 0.000 | |
186 | 1 | 16 | THR | HG22 | H | 1.080 | 0.000 | |
187 | 1 | 16 | THR | HG23 | H | 1.080 | 0.000 | |
188 | 1 | 16 | THR | C | C | 174.354 | 0.000 | |
189 | 1 | 16 | THR | CA | C | 62.652 | 0.000 | |
190 | 1 | 16 | THR | CB | C | 70.040 | 0.000 | |
191 | 1 | 16 | THR | CG2 | C | 22.848 | 0.000 | |
192 | 1 | 16 | THR | N | N | 120.467 | 0.000 | |
193 | 1 | 17 | VAL | H | H | 8.820 | 0.000 | |
194 | 1 | 17 | VAL | HA | H | 4.783 | 0.000 | |
195 | 1 | 17 | VAL | HB | H | 2.076 | 0.000 | |
196 | 1 | 17 | VAL | HG11 | H | 0.630 | 0.000 | |
197 | 1 | 17 | VAL | HG12 | H | 0.630 | 0.000 | |
198 | 1 | 17 | VAL | HG13 | H | 0.630 | 0.000 | |
199 | 1 | 17 | VAL | HG21 | H | 0.553 | 0.000 | |
200 | 1 | 17 | VAL | HG22 | H | 0.553 | 0.000 | |
201 | 1 | 17 | VAL | HG23 | H | 0.553 | 0.000 | |
202 | 1 | 17 | VAL | C | C | 173.465 | 0.000 | |
203 | 1 | 17 | VAL | CA | C | 59.163 | 0.000 | |
204 | 1 | 17 | VAL | CB | C | 35.817 | 0.000 | |
205 | 1 | 17 | VAL | CG1 | C | 22.931 | 0.000 | |
206 | 1 | 17 | VAL | CG2 | C | 18.704 | 0.000 | |
207 | 1 | 17 | VAL | N | N | 116.887 | 0.000 | |
208 | 1 | 18 | ASP | H | H | 8.566 | 0.000 | |
209 | 1 | 18 | ASP | HA | H | 5.358 | 0.000 | |
210 | 1 | 18 | ASP | HB2 | H | 2.723 | 0.000 | |
211 | 1 | 18 | ASP | HB3 | H | 1.875 | 0.000 | |
212 | 1 | 18 | ASP | C | C | 175.426 | 0.000 | |
213 | 1 | 18 | ASP | CA | C | 53.313 | 0.000 | |
214 | 1 | 18 | ASP | CB | C | 41.742 | 0.000 | |
215 | 1 | 18 | ASP | N | N | 119.376 | 0.000 | |
216 | 1 | 19 | ILE | H | H | 8.990 | 0.000 | |
217 | 1 | 19 | ILE | HA | H | 4.180 | 0.000 | |
218 | 1 | 19 | ILE | HB | H | 1.759 | 0.000 | |
219 | 1 | 19 | ILE | HG12 | H | 0.902 | 0.000 | |
220 | 1 | 19 | ILE | HG13 | H | 1.669 | 0.000 | |
221 | 1 | 19 | ILE | HG21 | H | 0.763 | 0.000 | |
222 | 1 | 19 | ILE | HG22 | H | 0.763 | 0.000 | |
223 | 1 | 19 | ILE | HG23 | H | 0.763 | 0.000 | |
224 | 1 | 19 | ILE | HD11 | H | 0.648 | 0.000 | |
225 | 1 | 19 | ILE | HD12 | H | 0.648 | 0.000 | |
226 | 1 | 19 | ILE | HD13 | H | 0.648 | 0.000 | |
227 | 1 | 19 | ILE | C | C | 174.308 | 0.000 | |
228 | 1 | 19 | ILE | CA | C | 61.660 | 0.000 | |
229 | 1 | 19 | ILE | CB | C | 39.546 | 0.000 | |
230 | 1 | 19 | ILE | CG1 | C | 28.919 | 0.000 | |
231 | 1 | 19 | ILE | CG2 | C | 18.539 | 0.000 | |
232 | 1 | 19 | ILE | CD1 | C | 15.000 | 0.000 | |
233 | 1 | 19 | ILE | N | N | 122.317 | 0.000 | |
234 | 1 | 20 | HIS | H | H | 8.292 | 0.000 | |
235 | 1 | 20 | HIS | HA | H | 5.228 | 0.000 | |
236 | 1 | 20 | HIS | HB2 | H | 2.829 | 0.000 | |
237 | 1 | 20 | HIS | HB3 | H | 3.032 | 0.000 | |
238 | 1 | 20 | HIS | HD2 | H | 6.500 | 0.000 | |
239 | 1 | 20 | HIS | HE1 | H | 8.315 | 0.000 | |
240 | 1 | 20 | HIS | C | C | 175.812 | 0.000 | |
241 | 1 | 20 | HIS | CA | C | 54.407 | 0.000 | |
242 | 1 | 20 | HIS | CB | C | 30.264 | 0.000 | |
243 | 1 | 20 | HIS | CD2 | C | 119.361 | 0.000 | |
244 | 1 | 20 | HIS | CE1 | C | 136.711 | 0.000 | |
245 | 1 | 20 | HIS | N | N | 126.390 | 0.000 | |
246 | 1 | 21 | THR | H | H | 8.734 | 0.000 | |
247 | 1 | 21 | THR | HA | H | 5.733 | 0.000 | |
248 | 1 | 21 | THR | HB | H | 4.824 | 0.000 | |
249 | 1 | 21 | THR | HG21 | H | 1.060 | 0.000 | |
250 | 1 | 21 | THR | HG22 | H | 1.060 | 0.000 | |
251 | 1 | 21 | THR | HG23 | H | 1.060 | 0.000 | |
252 | 1 | 21 | THR | C | C | 178.061 | 0.000 | |
253 | 1 | 21 | THR | CA | C | 60.083 | 0.000 | |
254 | 1 | 21 | THR | CB | C | 72.899 | 0.000 | |
255 | 1 | 21 | THR | CG2 | C | 20.503 | 0.000 | |
256 | 1 | 21 | THR | N | N | 112.287 | 0.000 | |
257 | 1 | 22 | LYS | H | H | 9.076 | 0.000 | |
258 | 1 | 22 | LYS | HA | H | 4.054 | 0.000 | |
259 | 1 | 22 | LYS | HB2 | H | 1.977 | 0.000 | |
260 | 1 | 22 | LYS | HB3 | H | 1.879 | 0.000 | |
261 | 1 | 22 | LYS | HG2 | H | 1.424 | 0.000 | |
262 | 1 | 22 | LYS | HG3 | H | 1.424 | 0.000 | |
263 | 1 | 22 | LYS | HD2 | H | 1.745 | 0.000 | |
264 | 1 | 22 | LYS | HD3 | H | 1.745 | 0.000 | |
265 | 1 | 22 | LYS | HE2 | H | 2.993 | 0.000 | |
266 | 1 | 22 | LYS | HE3 | H | 2.935 | 0.000 | |
267 | 1 | 22 | LYS | C | C | 177.840 | 0.000 | |
268 | 1 | 22 | LYS | CA | C | 59.524 | 0.000 | |
269 | 1 | 22 | LYS | CB | C | 32.800 | 0.000 | |
270 | 1 | 22 | LYS | CG | C | 26.825 | 0.000 | |
271 | 1 | 22 | LYS | CD | C | 29.890 | 0.000 | |
272 | 1 | 22 | LYS | CE | C | 42.514 | 0.000 | |
273 | 1 | 22 | LYS | N | N | 122.680 | 0.000 | |
274 | 1 | 23 | SER | H | H | 8.136 | 0.000 | |
275 | 1 | 23 | SER | HA | H | 4.045 | 0.000 | |
276 | 1 | 23 | SER | HB2 | H | 4.219 | 0.000 | |
277 | 1 | 23 | SER | HB3 | H | 4.044 | 0.000 | |
278 | 1 | 23 | SER | C | C | 174.791 | 0.000 | |
279 | 1 | 23 | SER | CA | C | 59.358 | 0.000 | |
280 | 1 | 23 | SER | CB | C | 64.526 | 0.000 | |
281 | 1 | 23 | SER | N | N | 112.109 | 0.000 | |
282 | 1 | 24 | GLY | H | H | 8.129 | 0.000 | |
283 | 1 | 24 | GLY | HA2 | H | 4.385 | 0.000 | |
284 | 1 | 24 | GLY | HA3 | H | 3.889 | 0.000 | |
285 | 1 | 24 | GLY | CA | C | 45.428 | 0.000 | |
286 | 1 | 24 | GLY | N | N | 109.543 | 0.000 | |
287 | 1 | 25 | THR | H | H | 7.263 | 0.000 | |
288 | 1 | 25 | THR | HA | H | 4.541 | 0.000 | |
289 | 1 | 25 | THR | HB | H | 4.049 | 0.000 | |
290 | 1 | 25 | THR | HG21 | H | 1.073 | 0.000 | |
291 | 1 | 25 | THR | HG22 | H | 1.073 | 0.000 | |
292 | 1 | 25 | THR | HG23 | H | 1.073 | 0.000 | |
293 | 1 | 25 | THR | C | C | 173.863 | 0.000 | |
294 | 1 | 25 | THR | CA | C | 61.289 | 0.000 | |
295 | 1 | 25 | THR | CB | C | 70.677 | 0.000 | |
296 | 1 | 25 | THR | CG2 | C | 21.998 | 0.000 | |
297 | 1 | 25 | THR | N | N | 113.946 | 0.000 | |
298 | 1 | 26 | THR | H | H | 8.582 | 0.000 | |
299 | 1 | 26 | THR | HA | H | 5.071 | 0.000 | |
300 | 1 | 26 | THR | HB | H | 3.763 | 0.000 | |
301 | 1 | 26 | THR | HG21 | H | 0.595 | 0.000 | |
302 | 1 | 26 | THR | HG22 | H | 0.595 | 0.000 | |
303 | 1 | 26 | THR | HG23 | H | 0.595 | 0.000 | |
304 | 1 | 26 | THR | C | C | 174.073 | 0.000 | |
305 | 1 | 26 | THR | CA | C | 61.963 | 0.000 | |
306 | 1 | 26 | THR | CB | C | 70.331 | 0.000 | |
307 | 1 | 26 | THR | CG2 | C | 21.108 | 0.000 | |
308 | 1 | 26 | THR | N | N | 121.589 | 0.000 | |
309 | 1 | 27 | VAL | H | H | 8.823 | 0.000 | |
310 | 1 | 27 | VAL | HA | H | 4.454 | 0.000 | |
311 | 1 | 27 | VAL | HB | H | 1.767 | 0.000 | |
312 | 1 | 27 | VAL | HG11 | H | 0.775 | 0.000 | |
313 | 1 | 27 | VAL | HG12 | H | 0.775 | 0.000 | |
314 | 1 | 27 | VAL | HG13 | H | 0.775 | 0.000 | |
315 | 1 | 27 | VAL | HG21 | H | 0.768 | 0.000 | |
316 | 1 | 27 | VAL | HG22 | H | 0.768 | 0.000 | |
317 | 1 | 27 | VAL | HG23 | H | 0.768 | 0.000 | |
318 | 1 | 27 | VAL | C | C | 174.073 | 0.000 | |
319 | 1 | 27 | VAL | CA | C | 59.671 | 0.000 | |
320 | 1 | 27 | VAL | CB | C | 34.422 | 0.000 | |
321 | 1 | 27 | VAL | CG1 | C | 21.475 | 0.000 | |
322 | 1 | 27 | VAL | CG2 | C | 19.532 | 0.000 | |
323 | 1 | 27 | VAL | N | N | 122.747 | 0.000 | |
324 | 1 | 28 | ARG | H | H | 8.395 | 0.000 | |
325 | 1 | 28 | ARG | HA | H | 5.405 | 0.000 | |
326 | 1 | 28 | ARG | HB2 | H | 1.759 | 0.000 | |
327 | 1 | 28 | ARG | HB3 | H | 1.639 | 0.000 | |
328 | 1 | 28 | ARG | HG2 | H | 1.423 | 0.000 | |
329 | 1 | 28 | ARG | HG3 | H | 1.358 | 0.000 | |
330 | 1 | 28 | ARG | HD2 | H | 3.124 | 0.000 | |
331 | 1 | 28 | ARG | HD3 | H | 3.124 | 0.000 | |
332 | 1 | 28 | ARG | CA | C | 56.110 | 0.000 | |
333 | 1 | 28 | ARG | CB | C | 30.214 | 0.000 | |
334 | 1 | 28 | ARG | CG | C | 27.301 | 0.000 | |
335 | 1 | 28 | ARG | CD | C | 43.486 | 0.000 | |
336 | 1 | 28 | ARG | N | N | 129.557 | 0.000 | |
337 | 1 | 29 | VAL | H | H | 9.102 | 0.000 | |
338 | 1 | 29 | VAL | HA | H | 5.089 | 0.000 | |
339 | 1 | 29 | VAL | HB | H | 2.113 | 0.000 | |
340 | 1 | 29 | VAL | HG11 | H | 0.719 | 0.000 | |
341 | 1 | 29 | VAL | HG12 | H | 0.719 | 0.000 | |
342 | 1 | 29 | VAL | HG13 | H | 0.719 | 0.000 | |
343 | 1 | 29 | VAL | HG21 | H | 0.639 | 0.000 | |
344 | 1 | 29 | VAL | HG22 | H | 0.639 | 0.000 | |
345 | 1 | 29 | VAL | HG23 | H | 0.639 | 0.000 | |
346 | 1 | 29 | VAL | C | C | 173.757 | 0.000 | |
347 | 1 | 29 | VAL | CA | C | 58.840 | 0.000 | |
348 | 1 | 29 | VAL | CB | C | 37.598 | 0.000 | |
349 | 1 | 29 | VAL | CG1 | C | 23.262 | 0.000 | |
350 | 1 | 29 | VAL | CG2 | C | 18.622 | 0.000 | |
351 | 1 | 29 | VAL | N | N | 118.244 | 0.000 | |
352 | 1 | 30 | ASN | H | H | 8.454 | 0.000 | |
353 | 1 | 30 | ASN | HA | H | 5.176 | 0.001 | |
354 | 1 | 30 | ASN | HB2 | H | 2.647 | 0.000 | |
355 | 1 | 30 | ASN | HB3 | H | 2.647 | 0.000 | |
356 | 1 | 30 | ASN | HD21 | H | 7.619 | 0.000 | |
357 | 1 | 30 | ASN | HD22 | H | 6.825 | 0.000 | |
358 | 1 | 30 | ASN | C | C | 175.291 | 0.000 | |
359 | 1 | 30 | ASN | CA | C | 52.628 | 0.000 | |
360 | 1 | 30 | ASN | CB | C | 40.250 | 0.000 | |
361 | 1 | 30 | ASN | N | N | 117.339 | 0.000 | |
362 | 1 | 30 | ASN | ND2 | N | 113.669 | 0.000 | |
363 | 1 | 31 | VAL | H | H | 9.265 | 0.000 | |
364 | 1 | 31 | VAL | HA | H | 3.788 | 0.000 | |
365 | 1 | 31 | VAL | HB | H | 1.860 | 0.000 | |
366 | 1 | 31 | VAL | HG11 | H | 0.788 | 0.000 | |
367 | 1 | 31 | VAL | HG12 | H | 0.788 | 0.000 | |
368 | 1 | 31 | VAL | HG13 | H | 0.788 | 0.000 | |
369 | 1 | 31 | VAL | HG21 | H | 0.874 | 0.000 | |
370 | 1 | 31 | VAL | HG22 | H | 0.874 | 0.000 | |
371 | 1 | 31 | VAL | HG23 | H | 0.874 | 0.000 | |
372 | 1 | 31 | VAL | C | C | 174.805 | 0.000 | |
373 | 1 | 31 | VAL | CA | C | 64.126 | 0.000 | |
374 | 1 | 31 | VAL | CB | C | 32.460 | 0.000 | |
375 | 1 | 31 | VAL | CG1 | C | 22.366 | 0.000 | |
376 | 1 | 31 | VAL | CG2 | C | 22.769 | 0.000 | |
377 | 1 | 31 | VAL | N | N | 124.474 | 0.000 | |
378 | 1 | 32 | LYS | H | H | 8.871 | 0.000 | |
379 | 1 | 32 | LYS | HA | H | 4.553 | 0.000 | |
380 | 1 | 32 | LYS | HB2 | H | 1.777 | 0.000 | |
381 | 1 | 32 | LYS | HB3 | H | 1.486 | 0.000 | |
382 | 1 | 32 | LYS | HG2 | H | 1.427 | 0.000 | |
383 | 1 | 32 | LYS | HG3 | H | 1.289 | 0.000 | |
384 | 1 | 32 | LYS | HD2 | H | 1.539 | 0.000 | |
385 | 1 | 32 | LYS | HD3 | H | 1.539 | 0.000 | |
386 | 1 | 32 | LYS | HE2 | H | 2.867 | 0.000 | |
387 | 1 | 32 | LYS | HE3 | H | 2.827 | 0.000 | |
388 | 1 | 32 | LYS | C | C | 176.806 | 0.000 | |
389 | 1 | 32 | LYS | CA | C | 56.810 | 0.000 | |
390 | 1 | 32 | LYS | CB | C | 33.127 | 0.000 | |
391 | 1 | 32 | LYS | CG | C | 24.505 | 0.000 | |
392 | 1 | 32 | LYS | CD | C | 28.400 | 0.000 | |
393 | 1 | 32 | LYS | CE | C | 41.867 | 0.000 | |
394 | 1 | 32 | LYS | N | N | 124.907 | 0.000 | |
395 | 1 | 33 | ARG | H | H | 7.879 | 0.000 | |
396 | 1 | 33 | ARG | HA | H | 4.485 | 0.000 | |
397 | 1 | 33 | ARG | HB2 | H | 1.801 | 0.000 | |
398 | 1 | 33 | ARG | HB3 | H | 1.801 | 0.000 | |
399 | 1 | 33 | ARG | HG2 | H | 1.490 | 0.000 | |
400 | 1 | 33 | ARG | HG3 | H | 1.630 | 0.000 | |
401 | 1 | 33 | ARG | HD2 | H | 3.176 | 0.000 | |
402 | 1 | 33 | ARG | HD3 | H | 3.176 | 0.000 | |
403 | 1 | 33 | ARG | C | C | 173.191 | 0.000 | |
404 | 1 | 33 | ARG | CA | C | 56.419 | 0.000 | |
405 | 1 | 33 | ARG | CB | C | 33.703 | 0.000 | |
406 | 1 | 33 | ARG | CG | C | 27.323 | 0.000 | |
407 | 1 | 33 | ARG | CD | C | 43.486 | 0.000 | |
408 | 1 | 33 | ARG | N | N | 116.580 | 0.000 | |
409 | 1 | 34 | VAL | H | H | 8.994 | 0.000 | |
410 | 1 | 34 | VAL | HA | H | 4.508 | 0.000 | |
411 | 1 | 34 | VAL | HB | H | 1.959 | 0.000 | |
412 | 1 | 34 | VAL | HG11 | H | 1.008 | 0.000 | |
413 | 1 | 34 | VAL | HG12 | H | 1.008 | 0.000 | |
414 | 1 | 34 | VAL | HG13 | H | 1.008 | 0.000 | |
415 | 1 | 34 | VAL | HG21 | H | 0.859 | 0.000 | |
416 | 1 | 34 | VAL | HG22 | H | 0.859 | 0.000 | |
417 | 1 | 34 | VAL | HG23 | H | 0.859 | 0.000 | |
418 | 1 | 34 | VAL | C | C | 174.075 | 0.000 | |
419 | 1 | 34 | VAL | CA | C | 62.188 | 0.000 | |
420 | 1 | 34 | VAL | CB | C | 33.952 | 0.000 | |
421 | 1 | 34 | VAL | CG1 | C | 21.522 | 0.000 | |
422 | 1 | 34 | VAL | CG2 | C | 22.366 | 0.000 | |
423 | 1 | 34 | VAL | N | N | 125.483 | 0.000 | |
424 | 1 | 35 | ASP | H | H | 8.503 | 0.000 | |
425 | 1 | 35 | ASP | HA | H | 4.933 | 0.000 | |
426 | 1 | 35 | ASP | HB2 | H | 2.957 | 0.000 | |
427 | 1 | 35 | ASP | HB3 | H | 2.883 | 0.000 | |
428 | 1 | 35 | ASP | C | C | 174.460 | 0.000 | |
429 | 1 | 35 | ASP | CA | C | 53.474 | 0.000 | |
430 | 1 | 35 | ASP | CB | C | 42.653 | 0.000 | |
431 | 1 | 35 | ASP | N | N | 128.579 | 0.000 | |
432 | 1 | 36 | SER | H | H | 8.048 | 0.000 | |
433 | 1 | 36 | SER | HA | H | 4.192 | 0.000 | |
434 | 1 | 36 | SER | HB2 | H | 3.963 | 0.000 | |
435 | 1 | 36 | SER | HB3 | H | 3.963 | 0.000 | |
436 | 1 | 36 | SER | C | C | 175.534 | 0.000 | |
437 | 1 | 36 | SER | CA | C | 61.201 | 0.000 | |
438 | 1 | 36 | SER | CB | C | 63.535 | 0.000 | |
439 | 1 | 36 | SER | N | N | 110.099 | 0.000 | |
440 | 1 | 37 | LYS | H | H | 8.714 | 0.000 | |
441 | 1 | 37 | LYS | HA | H | 4.643 | 0.000 | |
442 | 1 | 37 | LYS | HB2 | H | 1.995 | 0.000 | |
443 | 1 | 37 | LYS | HB3 | H | 1.849 | 0.001 | |
444 | 1 | 37 | LYS | HG2 | H | 1.459 | 0.000 | |
445 | 1 | 37 | LYS | HG3 | H | 1.399 | 0.000 | |
446 | 1 | 37 | LYS | HD2 | H | 1.696 | 0.000 | |
447 | 1 | 37 | LYS | HD3 | H | 1.696 | 0.000 | |
448 | 1 | 37 | LYS | HE2 | H | 2.998 | 0.000 | |
449 | 1 | 37 | LYS | HE3 | H | 2.998 | 0.000 | |
450 | 1 | 37 | LYS | C | C | 177.389 | 0.000 | |
451 | 1 | 37 | LYS | CA | C | 56.416 | 0.000 | |
452 | 1 | 37 | LYS | CB | C | 34.863 | 0.000 | |
453 | 1 | 37 | LYS | CG | C | 24.837 | 0.000 | |
454 | 1 | 37 | LYS | CD | C | 29.146 | 0.000 | |
455 | 1 | 37 | LYS | CE | C | 42.514 | 0.000 | |
456 | 1 | 37 | LYS | N | N | 117.254 | 0.000 | |
457 | 1 | 38 | SER | H | H | 8.349 | 0.000 | |
458 | 1 | 38 | SER | HA | H | 5.088 | 0.000 | |
459 | 1 | 38 | SER | HB2 | H | 3.662 | 0.000 | |
460 | 1 | 38 | SER | HB3 | H | 3.806 | 0.000 | |
461 | 1 | 38 | SER | C | C | 170.575 | 0.000 | |
462 | 1 | 38 | SER | CA | C | 57.804 | 0.000 | |
463 | 1 | 38 | SER | CB | C | 66.519 | 0.000 | |
464 | 1 | 38 | SER | N | N | 116.371 | 0.000 | |
465 | 1 | 39 | VAL | H | H | 8.990 | 0.000 | |
466 | 1 | 39 | VAL | HA | H | 5.043 | 0.000 | |
467 | 1 | 39 | VAL | HB | H | 1.930 | 0.000 | |
468 | 1 | 39 | VAL | HG11 | H | 1.008 | 0.000 | |
469 | 1 | 39 | VAL | HG12 | H | 1.008 | 0.000 | |
470 | 1 | 39 | VAL | HG13 | H | 1.008 | 0.000 | |
471 | 1 | 39 | VAL | HG21 | H | 0.961 | 0.000 | |
472 | 1 | 39 | VAL | HG22 | H | 0.961 | 0.000 | |
473 | 1 | 39 | VAL | HG23 | H | 0.961 | 0.000 | |
474 | 1 | 39 | VAL | C | C | 172.445 | 0.000 | |
475 | 1 | 39 | VAL | CA | C | 58.563 | 0.000 | |
476 | 1 | 39 | VAL | CB | C | 35.361 | 0.000 | |
477 | 1 | 39 | VAL | CG1 | C | 23.759 | 0.000 | |
478 | 1 | 39 | VAL | CG2 | C | 20.610 | 0.000 | |
479 | 1 | 39 | VAL | N | N | 118.195 | 0.000 | |
480 | 1 | 40 | LYS | H | H | 9.048 | 0.000 | |
481 | 1 | 40 | LYS | HA | H | 5.055 | 0.000 | |
482 | 1 | 40 | LYS | HB2 | H | 1.781 | 0.000 | |
483 | 1 | 40 | LYS | HB3 | H | 1.892 | 0.000 | |
484 | 1 | 40 | LYS | HG2 | H | 1.443 | 0.000 | |
485 | 1 | 40 | LYS | HG3 | H | 1.317 | 0.000 | |
486 | 1 | 40 | LYS | HD2 | H | 1.589 | 0.000 | |
487 | 1 | 40 | LYS | HD3 | H | 1.589 | 0.000 | |
488 | 1 | 40 | LYS | HE2 | H | 2.873 | 0.000 | |
489 | 1 | 40 | LYS | HE3 | H | 2.873 | 0.000 | |
490 | 1 | 40 | LYS | C | C | 176.170 | 0.000 | |
491 | 1 | 40 | LYS | CA | C | 55.215 | 0.000 | |
492 | 1 | 40 | LYS | CB | C | 33.496 | 0.000 | |
493 | 1 | 40 | LYS | CG | C | 25.334 | 0.000 | |
494 | 1 | 40 | LYS | CD | C | 29.250 | 0.000 | |
495 | 1 | 40 | LYS | CE | C | 42.191 | 0.000 | |
496 | 1 | 40 | LYS | N | N | 128.426 | 0.000 | |
497 | 1 | 41 | VAL | H | H | 9.251 | 0.000 | |
498 | 1 | 41 | VAL | HA | H | 5.238 | 0.000 | |
499 | 1 | 41 | VAL | HB | H | 2.145 | 0.000 | |
500 | 1 | 41 | VAL | HG11 | H | 0.824 | 0.000 | |
501 | 1 | 41 | VAL | HG12 | H | 0.824 | 0.000 | |
502 | 1 | 41 | VAL | HG13 | H | 0.824 | 0.000 | |
503 | 1 | 41 | VAL | HG21 | H | 0.704 | 0.000 | |
504 | 1 | 41 | VAL | HG22 | H | 0.704 | 0.000 | |
505 | 1 | 41 | VAL | HG23 | H | 0.704 | 0.000 | |
506 | 1 | 41 | VAL | C | C | 173.191 | 0.000 | |
507 | 1 | 41 | VAL | CA | C | 58.312 | 0.000 | |
508 | 1 | 41 | VAL | CB | C | 35.403 | 0.000 | |
509 | 1 | 41 | VAL | CG1 | C | 23.842 | 0.000 | |
510 | 1 | 41 | VAL | CG2 | C | 19.616 | 0.000 | |
511 | 1 | 41 | VAL | N | N | 118.923 | 0.000 | |
512 | 1 | 42 | GLU | H | H | 9.020 | 0.000 | |
513 | 1 | 42 | GLU | HA | H | 5.316 | 0.000 | |
514 | 1 | 42 | GLU | HB2 | H | 1.929 | 0.000 | |
515 | 1 | 42 | GLU | HB3 | H | 1.862 | 0.000 | |
516 | 1 | 42 | GLU | HG2 | H | 2.161 | 0.000 | |
517 | 1 | 42 | GLU | HG3 | H | 1.917 | 0.000 | |
518 | 1 | 42 | GLU | C | C | 175.002 | 0.000 | |
519 | 1 | 42 | GLU | CA | C | 54.945 | 0.000 | |
520 | 1 | 42 | GLU | CB | C | 33.537 | 0.000 | |
521 | 1 | 42 | GLU | CG | C | 36.355 | 0.000 | |
522 | 1 | 42 | GLU | N | N | 120.456 | 0.000 | |
523 | 1 | 43 | ARG | H | H | 8.873 | 0.000 | |
524 | 1 | 43 | ARG | HA | H | 4.724 | 0.000 | |
525 | 1 | 43 | ARG | HB2 | H | 1.942 | 0.000 | |
526 | 1 | 43 | ARG | HB3 | H | 1.545 | 0.000 | |
527 | 1 | 43 | ARG | HG2 | H | 1.747 | 0.000 | |
528 | 1 | 43 | ARG | HG3 | H | 1.443 | 0.000 | |
529 | 1 | 43 | ARG | HD2 | H | 3.114 | 0.000 | |
530 | 1 | 43 | ARG | HD3 | H | 3.044 | 0.000 | |
531 | 1 | 43 | ARG | C | C | 175.870 | 0.000 | |
532 | 1 | 43 | ARG | CA | C | 55.096 | 0.000 | |
533 | 1 | 43 | ARG | CB | C | 32.792 | 0.000 | |
534 | 1 | 43 | ARG | CG | C | 26.991 | 0.000 | |
535 | 1 | 43 | ARG | CD | C | 43.896 | 0.000 | |
536 | 1 | 43 | ARG | N | N | 124.555 | 0.000 | |
537 | 1 | 44 | ASN | H | H | 9.720 | 0.000 | |
538 | 1 | 44 | ASN | HA | H | 4.442 | 0.000 | |
539 | 1 | 44 | ASN | HB2 | H | 3.122 | 0.000 | |
540 | 1 | 44 | ASN | HB3 | H | 2.807 | 0.000 | |
541 | 1 | 44 | ASN | HD21 | H | 7.652 | 0.000 | |
542 | 1 | 44 | ASN | HD22 | H | 6.880 | 0.000 | |
543 | 1 | 44 | ASN | C | C | 175.414 | 0.000 | |
544 | 1 | 44 | ASN | CA | C | 54.593 | 0.000 | |
545 | 1 | 44 | ASN | CB | C | 37.806 | 0.000 | |
546 | 1 | 44 | ASN | N | N | 127.539 | 0.000 | |
547 | 1 | 44 | ASN | ND2 | N | 112.228 | 0.000 | |
548 | 1 | 45 | GLY | H | H | 9.214 | 0.000 | |
549 | 1 | 45 | GLY | HA2 | H | 4.175 | 0.000 | |
550 | 1 | 45 | GLY | HA3 | H | 3.643 | 0.000 | |
551 | 1 | 45 | GLY | C | C | 173.821 | 0.000 | |
552 | 1 | 45 | GLY | CA | C | 45.659 | 0.000 | |
553 | 1 | 45 | GLY | N | N | 104.854 | 0.000 | |
554 | 1 | 46 | GLN | H | H | 7.875 | 0.000 | |
555 | 1 | 46 | GLN | HA | H | 4.622 | 0.000 | |
556 | 1 | 46 | GLN | HB2 | H | 2.039 | 0.000 | |
557 | 1 | 46 | GLN | HB3 | H | 2.186 | 0.000 | |
558 | 1 | 46 | GLN | HG2 | H | 2.365 | 0.000 | |
559 | 1 | 46 | GLN | HG3 | H | 2.365 | 0.000 | |
560 | 1 | 46 | GLN | HE21 | H | 7.611 | 0.000 | |
561 | 1 | 46 | GLN | HE22 | H | 6.904 | 0.000 | |
562 | 1 | 46 | GLN | C | C | 174.604 | 0.000 | |
563 | 1 | 46 | GLN | CA | C | 54.359 | 0.000 | |
564 | 1 | 46 | GLN | CB | C | 31.134 | 0.000 | |
565 | 1 | 46 | GLN | CG | C | 33.786 | 0.000 | |
566 | 1 | 46 | GLN | N | N | 120.178 | 0.000 | |
567 | 1 | 46 | GLN | NE2 | N | 112.475 | 0.000 | |
568 | 1 | 47 | ASP | H | H | 8.549 | 0.000 | |
569 | 1 | 47 | ASP | HA | H | 5.249 | 0.000 | |
570 | 1 | 47 | ASP | HB2 | H | 2.564 | 0.000 | |
571 | 1 | 47 | ASP | HB3 | H | 2.564 | 0.000 | |
572 | 1 | 47 | ASP | C | C | 176.126 | 0.000 | |
573 | 1 | 47 | ASP | CA | C | 54.632 | 0.000 | |
574 | 1 | 47 | ASP | CB | C | 42.280 | 0.000 | |
575 | 1 | 47 | ASP | N | N | 124.281 | 0.000 | |
576 | 1 | 48 | LEU | H | H | 8.878 | 0.000 | |
577 | 1 | 48 | LEU | HA | H | 4.670 | 0.000 | |
578 | 1 | 48 | LEU | HB2 | H | 1.494 | 0.000 | |
579 | 1 | 48 | LEU | HB3 | H | 1.494 | 0.000 | |
580 | 1 | 48 | LEU | HG | H | 1.429 | 0.000 | |
581 | 1 | 48 | LEU | HD11 | H | 0.817 | 0.000 | |
582 | 1 | 48 | LEU | HD12 | H | 0.817 | 0.000 | |
583 | 1 | 48 | LEU | HD13 | H | 0.817 | 0.000 | |
584 | 1 | 48 | LEU | HD21 | H | 0.804 | 0.000 | |
585 | 1 | 48 | LEU | HD22 | H | 0.804 | 0.000 | |
586 | 1 | 48 | LEU | HD23 | H | 0.804 | 0.000 | |
587 | 1 | 48 | LEU | C | C | 174.369 | 0.000 | |
588 | 1 | 48 | LEU | CA | C | 54.844 | 0.000 | |
589 | 1 | 48 | LEU | CB | C | 45.471 | 0.000 | |
590 | 1 | 48 | LEU | CG | C | 27.157 | 0.000 | |
591 | 1 | 48 | LEU | CD1 | C | 25.382 | 0.000 | |
592 | 1 | 48 | LEU | CD2 | C | 25.085 | 0.000 | |
593 | 1 | 48 | LEU | N | N | 123.222 | 0.000 | |
594 | 1 | 49 | GLU | H | H | 8.427 | 0.000 | |
595 | 1 | 49 | GLU | HA | H | 5.379 | 0.000 | |
596 | 1 | 49 | GLU | HB2 | H | 1.910 | 0.000 | |
597 | 1 | 49 | GLU | HB3 | H | 1.836 | 0.000 | |
598 | 1 | 49 | GLU | HG2 | H | 2.086 | 0.000 | |
599 | 1 | 49 | GLU | HG3 | H | 2.086 | 0.000 | |
600 | 1 | 49 | GLU | C | C | 175.735 | 0.000 | |
601 | 1 | 49 | GLU | CA | C | 55.100 | 0.000 | |
602 | 1 | 49 | GLU | CB | C | 32.803 | 0.000 | |
603 | 1 | 49 | GLU | CG | C | 37.000 | 0.000 | |
604 | 1 | 49 | GLU | N | N | 122.770 | 0.000 | |
605 | 1 | 50 | ILE | H | H | 8.868 | 0.000 | |
606 | 1 | 50 | ILE | HA | H | 4.308 | 0.000 | |
607 | 1 | 50 | ILE | HB | H | 1.486 | 0.000 | |
608 | 1 | 50 | ILE | HG12 | H | 1.372 | 0.000 | |
609 | 1 | 50 | ILE | HG13 | H | 0.955 | 0.000 | |
610 | 1 | 50 | ILE | HG21 | H | 0.838 | 0.000 | |
611 | 1 | 50 | ILE | HG22 | H | 0.838 | 0.000 | |
612 | 1 | 50 | ILE | HG23 | H | 0.838 | 0.000 | |
613 | 1 | 50 | ILE | HD11 | H | 0.660 | 0.000 | |
614 | 1 | 50 | ILE | HD12 | H | 0.660 | 0.000 | |
615 | 1 | 50 | ILE | HD13 | H | 0.660 | 0.000 | |
616 | 1 | 50 | ILE | C | C | 175.480 | 0.000 | |
617 | 1 | 50 | ILE | CA | C | 60.175 | 0.000 | |
618 | 1 | 50 | ILE | CB | C | 41.864 | 0.000 | |
619 | 1 | 50 | ILE | CG1 | C | 27.243 | 0.000 | |
620 | 1 | 50 | ILE | CG2 | C | 16.885 | 0.000 | |
621 | 1 | 50 | ILE | CD1 | C | 14.295 | 0.000 | |
622 | 1 | 50 | ILE | N | N | 124.824 | 0.000 | |
623 | 1 | 51 | SER | H | H | 8.919 | 0.000 | |
624 | 1 | 51 | SER | HA | H | 4.434 | 0.000 | |
625 | 1 | 51 | SER | HB2 | H | 3.985 | 0.000 | |
626 | 1 | 51 | SER | HB3 | H | 3.924 | 0.000 | |
627 | 1 | 51 | SER | C | C | 176.503 | 0.000 | |
628 | 1 | 51 | SER | CA | C | 59.000 | 0.000 | |
629 | 1 | 51 | SER | CB | C | 63.660 | 0.000 | |
630 | 1 | 51 | SER | N | N | 123.600 | 0.000 | |
631 | 1 | 52 | LEU | H | H | 8.571 | 0.000 | |
632 | 1 | 52 | LEU | HA | H | 3.838 | 0.000 | |
633 | 1 | 52 | LEU | HB2 | H | 1.504 | 0.000 | |
634 | 1 | 52 | LEU | HB3 | H | 1.555 | 0.000 | |
635 | 1 | 52 | LEU | HG | H | 1.325 | 0.000 | |
636 | 1 | 52 | LEU | HD11 | H | 0.817 | 0.000 | |
637 | 1 | 52 | LEU | HD12 | H | 0.817 | 0.000 | |
638 | 1 | 52 | LEU | HD13 | H | 0.817 | 0.000 | |
639 | 1 | 52 | LEU | HD21 | H | 0.709 | 0.000 | |
640 | 1 | 52 | LEU | HD22 | H | 0.709 | 0.000 | |
641 | 1 | 52 | LEU | HD23 | H | 0.709 | 0.000 | |
642 | 1 | 52 | LEU | C | C | 179.259 | 0.000 | |
643 | 1 | 52 | LEU | CA | C | 58.881 | 0.000 | |
644 | 1 | 52 | LEU | CB | C | 41.368 | 0.000 | |
645 | 1 | 52 | LEU | CG | C | 28.234 | 0.000 | |
646 | 1 | 52 | LEU | CD1 | C | 25.251 | 0.000 | |
647 | 1 | 52 | LEU | CD2 | C | 23.925 | 0.000 | |
648 | 1 | 52 | LEU | N | N | 127.187 | 0.000 | |
649 | 1 | 53 | ASP | H | H | 8.318 | 0.000 | |
650 | 1 | 53 | ASP | HA | H | 4.424 | 0.000 | |
651 | 1 | 53 | ASP | HB2 | H | 2.674 | 0.000 | |
652 | 1 | 53 | ASP | HB3 | H | 2.912 | 0.000 | |
653 | 1 | 53 | ASP | C | C | 177.018 | 0.000 | |
654 | 1 | 53 | ASP | CA | C | 55.443 | 0.000 | |
655 | 1 | 53 | ASP | CB | C | 40.001 | 0.000 | |
656 | 1 | 53 | ASP | N | N | 115.927 | 0.000 | |
657 | 1 | 54 | GLN | H | H | 7.653 | 0.000 | |
658 | 1 | 54 | GLN | HA | H | 4.306 | 0.000 | |
659 | 1 | 54 | GLN | HB2 | H | 2.109 | 0.000 | |
660 | 1 | 54 | GLN | HB3 | H | 2.590 | 0.000 | |
661 | 1 | 54 | GLN | HG2 | H | 2.491 | 0.000 | |
662 | 1 | 54 | GLN | HG3 | H | 2.491 | 0.000 | |
663 | 1 | 54 | GLN | HE21 | H | 7.554 | 0.000 | |
664 | 1 | 54 | GLN | HE22 | H | 6.908 | 0.000 | |
665 | 1 | 54 | GLN | C | C | 175.652 | 0.000 | |
666 | 1 | 54 | GLN | CA | C | 55.176 | 0.000 | |
667 | 1 | 54 | GLN | CB | C | 29.436 | 0.000 | |
668 | 1 | 54 | GLN | CG | C | 34.118 | 0.000 | |
669 | 1 | 54 | GLN | N | N | 115.962 | 0.000 | |
670 | 1 | 54 | GLN | NE2 | N | 114.600 | 0.000 | |
671 | 1 | 55 | ILE | H | H | 7.568 | 0.000 | |
672 | 1 | 55 | ILE | HA | H | 4.354 | 0.000 | |
673 | 1 | 55 | ILE | HB | H | 1.967 | 0.000 | |
674 | 1 | 55 | ILE | HG12 | H | 0.561 | 0.000 | |
675 | 1 | 55 | ILE | HG13 | H | 1.935 | 0.000 | |
676 | 1 | 55 | ILE | HG21 | H | 0.857 | 0.000 | |
677 | 1 | 55 | ILE | HG22 | H | 0.857 | 0.000 | |
678 | 1 | 55 | ILE | HG23 | H | 0.857 | 0.000 | |
679 | 1 | 55 | ILE | HD11 | H | 0.701 | 0.000 | |
680 | 1 | 55 | ILE | HD12 | H | 0.701 | 0.000 | |
681 | 1 | 55 | ILE | HD13 | H | 0.701 | 0.000 | |
682 | 1 | 55 | ILE | C | C | 176.342 | 0.000 | |
683 | 1 | 55 | ILE | CA | C | 62.092 | 0.000 | |
684 | 1 | 55 | ILE | CB | C | 39.338 | 0.000 | |
685 | 1 | 55 | ILE | CG1 | C | 27.405 | 0.000 | |
686 | 1 | 55 | ILE | CG2 | C | 18.207 | 0.000 | |
687 | 1 | 55 | ILE | CD1 | C | 14.810 | 0.000 | |
688 | 1 | 55 | ILE | N | N | 120.733 | 0.000 | |
689 | 1 | 56 | THR | H | H | 8.979 | 0.000 | |
690 | 1 | 56 | THR | HA | H | 4.393 | 0.000 | |
691 | 1 | 56 | THR | HB | H | 4.303 | 0.000 | |
692 | 1 | 56 | THR | HG21 | H | 1.112 | 0.000 | |
693 | 1 | 56 | THR | HG22 | H | 1.112 | 0.000 | |
694 | 1 | 56 | THR | HG23 | H | 1.112 | 0.000 | |
695 | 1 | 56 | THR | C | C | 175.295 | 0.000 | |
696 | 1 | 56 | THR | CA | C | 62.942 | 0.000 | |
697 | 1 | 56 | THR | CB | C | 68.508 | 0.000 | |
698 | 1 | 56 | THR | CG2 | C | 22.268 | 0.000 | |
699 | 1 | 56 | THR | N | N | 118.362 | 0.000 | |
700 | 1 | 57 | HIS | H | H | 7.525 | 0.000 | |
701 | 1 | 57 | HIS | HA | H | 4.666 | 0.000 | |
702 | 1 | 57 | HIS | HB2 | H | 3.179 | 0.000 | |
703 | 1 | 57 | HIS | HB3 | H | 3.083 | 0.000 | |
704 | 1 | 57 | HIS | HD2 | H | 6.648 | 0.000 | |
705 | 1 | 57 | HIS | HE1 | H | 7.645 | 0.000 | |
706 | 1 | 57 | HIS | C | C | 172.013 | 0.000 | |
707 | 1 | 57 | HIS | CA | C | 56.358 | 0.000 | |
708 | 1 | 57 | HIS | CB | C | 31.590 | 0.000 | |
709 | 1 | 57 | HIS | CD2 | C | 119.361 | 0.000 | |
710 | 1 | 57 | HIS | CE1 | C | 138.523 | 0.000 | |
711 | 1 | 57 | HIS | N | N | 117.579 | 0.000 | |
712 | 1 | 58 | VAL | H | H | 8.563 | 0.000 | |
713 | 1 | 58 | VAL | HA | H | 4.932 | 0.000 | |
714 | 1 | 58 | VAL | HB | H | 1.943 | 0.000 | |
715 | 1 | 58 | VAL | HG11 | H | 0.844 | 0.000 | |
716 | 1 | 58 | VAL | HG12 | H | 0.844 | 0.000 | |
717 | 1 | 58 | VAL | HG13 | H | 0.844 | 0.000 | |
718 | 1 | 58 | VAL | HG21 | H | 0.916 | 0.000 | |
719 | 1 | 58 | VAL | HG22 | H | 0.916 | 0.000 | |
720 | 1 | 58 | VAL | HG23 | H | 0.916 | 0.000 | |
721 | 1 | 58 | VAL | C | C | 174.335 | 0.000 | |
722 | 1 | 58 | VAL | CA | C | 60.872 | 0.000 | |
723 | 1 | 58 | VAL | CB | C | 34.987 | 0.000 | |
724 | 1 | 58 | VAL | CG1 | C | 21.936 | 0.000 | |
725 | 1 | 58 | VAL | CG2 | C | 22.102 | 0.000 | |
726 | 1 | 58 | VAL | N | N | 122.265 | 0.000 | |
727 | 1 | 59 | ASP | H | H | 9.164 | 0.000 | |
728 | 1 | 59 | ASP | HA | H | 4.872 | 0.000 | |
729 | 1 | 59 | ASP | HB2 | H | 2.913 | 0.000 | |
730 | 1 | 59 | ASP | HB3 | H | 2.913 | 0.000 | |
731 | 1 | 59 | ASP | C | C | 175.441 | 0.000 | |
732 | 1 | 59 | ASP | CA | C | 53.826 | 0.000 | |
733 | 1 | 59 | ASP | CB | C | 42.032 | 0.000 | |
734 | 1 | 59 | ASP | N | N | 127.295 | 0.000 | |
735 | 1 | 60 | GLY | H | H | 8.481 | 0.000 | |
736 | 1 | 60 | GLY | HA2 | H | 3.981 | 0.000 | |
737 | 1 | 60 | GLY | HA3 | H | 3.888 | 0.000 | |
738 | 1 | 60 | GLY | C | C | 173.406 | 0.000 | |
739 | 1 | 60 | GLY | CA | C | 46.132 | 0.000 | |
740 | 1 | 60 | GLY | N | N | 107.507 | 0.000 | |
741 | 1 | 61 | TRP | H | H | 7.376 | 0.000 | |
742 | 1 | 61 | TRP | HA | H | 4.449 | 0.000 | |
743 | 1 | 61 | TRP | HB2 | H | 3.195 | 0.000 | |
744 | 1 | 61 | TRP | HB3 | H | 3.276 | 0.000 | |
745 | 1 | 61 | TRP | HD1 | H | 7.139 | 0.000 | |
746 | 1 | 61 | TRP | HE1 | H | 10.070 | 0.000 | |
747 | 1 | 61 | TRP | HE3 | H | 7.557 | 0.000 | |
748 | 1 | 61 | TRP | HZ2 | H | 7.467 | 0.000 | |
749 | 1 | 61 | TRP | HZ3 | H | 7.013 | 0.000 | |
750 | 1 | 61 | TRP | HH2 | H | 7.109 | 0.000 | |
751 | 1 | 61 | TRP | C | C | 180.863 | 0.000 | |
752 | 1 | 61 | TRP | CA | C | 58.376 | 0.000 | |
753 | 1 | 61 | TRP | CB | C | 30.214 | 0.000 | |
754 | 1 | 61 | TRP | CD1 | C | 126.871 | 0.000 | |
755 | 1 | 61 | TRP | CE3 | C | 121.174 | 0.000 | |
756 | 1 | 61 | TRP | CZ2 | C | 114.182 | 0.000 | |
757 | 1 | 61 | TRP | CZ3 | C | 121.433 | 0.000 | |
758 | 1 | 61 | TRP | CH2 | C | 124.022 | 0.000 | |
759 | 1 | 61 | TRP | N | N | 124.353 | 0.000 | |
760 | 1 | 61 | TRP | NE1 | N | 129.184 | 0.000 |