High resolution NMR solution structure of a de novo designed minimal thioredoxin fold protein
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 2 | ASP | HA | H | 4.63 | 0.02 | 1 |
2 | 1 | 2 | ASP | HB2 | H | 2.63 | 0.02 | 2 |
3 | 1 | 2 | ASP | HB3 | H | 2.52 | 0.02 | 2 |
4 | 1 | 2 | ASP | C | C | 175.08 | 0.10 | 1 |
5 | 1 | 2 | ASP | CA | C | 54.71 | 0.10 | 1 |
6 | 1 | 2 | ASP | CB | C | 41.42 | 0.10 | 1 |
7 | 1 | 3 | GLU | H | H | 8.64 | 0.02 | 1 |
8 | 1 | 3 | GLU | HA | H | 4.35 | 0.02 | 1 |
9 | 1 | 3 | GLU | HB2 | H | 2.04 | 0.02 | 2 |
10 | 1 | 3 | GLU | HB3 | H | 1.95 | 0.02 | 2 |
11 | 1 | 3 | GLU | HG2 | H | 2.32 | 0.02 | 2 |
12 | 1 | 3 | GLU | HG3 | H | 2.32 | 0.02 | 2 |
13 | 1 | 3 | GLU | C | C | 176.25 | 0.10 | 1 |
14 | 1 | 3 | GLU | CA | C | 56.76 | 0.10 | 1 |
15 | 1 | 3 | GLU | CB | C | 30.68 | 0.10 | 1 |
16 | 1 | 3 | GLU | CG | C | 36.55 | 0.10 | 1 |
17 | 1 | 3 | GLU | N | N | 121.01 | 0.10 | 1 |
18 | 1 | 4 | VAL | H | H | 8.65 | 0.02 | 1 |
19 | 1 | 4 | VAL | HA | H | 4.91 | 0.02 | 1 |
20 | 1 | 4 | VAL | HB | H | 1.97 | 0.02 | 1 |
21 | 1 | 4 | VAL | HG11 | H | 0.86 | 0.02 | 2 |
22 | 1 | 4 | VAL | HG12 | H | 0.86 | 0.02 | 2 |
23 | 1 | 4 | VAL | HG13 | H | 0.86 | 0.02 | 2 |
24 | 1 | 4 | VAL | HG21 | H | 0.89 | 0.02 | 2 |
25 | 1 | 4 | VAL | HG22 | H | 0.89 | 0.02 | 2 |
26 | 1 | 4 | VAL | HG23 | H | 0.89 | 0.02 | 2 |
27 | 1 | 4 | VAL | C | C | 175.10 | 0.10 | 1 |
28 | 1 | 4 | VAL | CA | C | 61.81 | 0.10 | 1 |
29 | 1 | 4 | VAL | CB | C | 33.06 | 0.10 | 1 |
30 | 1 | 4 | VAL | CG1 | C | 22.02 | 0.10 | 2 |
31 | 1 | 4 | VAL | CG2 | C | 22.13 | 0.10 | 2 |
32 | 1 | 4 | VAL | N | N | 123.89 | 0.10 | 1 |
33 | 1 | 5 | LYS | H | H | 8.85 | 0.02 | 1 |
34 | 1 | 5 | LYS | HA | H | 5.14 | 0.02 | 1 |
35 | 1 | 5 | LYS | HB2 | H | 1.87 | 0.02 | 2 |
36 | 1 | 5 | LYS | HB3 | H | 1.57 | 0.02 | 2 |
37 | 1 | 5 | LYS | HG2 | H | 1.41 | 0.02 | 2 |
38 | 1 | 5 | LYS | HG3 | H | 1.43 | 0.02 | 2 |
39 | 1 | 5 | LYS | HD2 | H | 1.62 | 0.02 | 2 |
40 | 1 | 5 | LYS | HD3 | H | 1.59 | 0.02 | 2 |
41 | 1 | 5 | LYS | HE2 | H | 2.92 | 0.02 | 2 |
42 | 1 | 5 | LYS | HE3 | H | 2.94 | 0.02 | 2 |
43 | 1 | 5 | LYS | C | C | 174.62 | 0.10 | 1 |
44 | 1 | 5 | LYS | CA | C | 54.79 | 0.10 | 1 |
45 | 1 | 5 | LYS | CB | C | 36.74 | 0.10 | 1 |
46 | 1 | 5 | LYS | CG | C | 25.36 | 0.10 | 1 |
47 | 1 | 5 | LYS | CD | C | 29.90 | 0.10 | 1 |
48 | 1 | 5 | LYS | CE | C | 42.30 | 0.10 | 1 |
49 | 1 | 5 | LYS | N | N | 124.96 | 0.10 | 1 |
50 | 1 | 6 | VAL | H | H | 8.62 | 0.02 | 1 |
51 | 1 | 6 | VAL | HA | H | 5.01 | 0.02 | 1 |
52 | 1 | 6 | VAL | HB | H | 1.92 | 0.02 | 1 |
53 | 1 | 6 | VAL | HG11 | H | 0.81 | 0.02 | 2 |
54 | 1 | 6 | VAL | HG12 | H | 0.81 | 0.02 | 2 |
55 | 1 | 6 | VAL | HG13 | H | 0.81 | 0.02 | 2 |
56 | 1 | 6 | VAL | HG21 | H | 0.82 | 0.02 | 2 |
57 | 1 | 6 | VAL | HG22 | H | 0.82 | 0.02 | 2 |
58 | 1 | 6 | VAL | HG23 | H | 0.82 | 0.02 | 2 |
59 | 1 | 6 | VAL | C | C | 173.55 | 0.10 | 1 |
60 | 1 | 6 | VAL | CA | C | 60.91 | 0.10 | 1 |
61 | 1 | 6 | VAL | CB | C | 34.57 | 0.10 | 1 |
62 | 1 | 6 | VAL | CG1 | C | 22.19 | 0.10 | 2 |
63 | 1 | 6 | VAL | CG2 | C | 22.19 | 0.10 | 2 |
64 | 1 | 6 | VAL | N | N | 121.52 | 0.10 | 1 |
65 | 1 | 7 | HIS | H | H | 9.46 | 0.02 | 1 |
66 | 1 | 7 | HIS | HA | H | 5.60 | 0.02 | 1 |
67 | 1 | 7 | HIS | HB2 | H | 3.07 | 0.02 | 2 |
68 | 1 | 7 | HIS | HB3 | H | 2.75 | 0.02 | 2 |
69 | 1 | 7 | HIS | HD2 | H | 6.75 | 0.02 | 1 |
70 | 1 | 7 | HIS | C | C | 174.88 | 0.10 | 1 |
71 | 1 | 7 | HIS | CA | C | 55.55 | 0.10 | 1 |
72 | 1 | 7 | HIS | CB | C | 32.64 | 0.10 | 1 |
73 | 1 | 7 | HIS | CD2 | C | 119.23 | 0.10 | 1 |
74 | 1 | 7 | HIS | N | N | 126.92 | 0.10 | 1 |
75 | 1 | 8 | VAL | H | H | 8.92 | 0.02 | 1 |
76 | 1 | 8 | VAL | HA | H | 5.00 | 0.02 | 1 |
77 | 1 | 8 | VAL | HB | H | 2.19 | 0.02 | 1 |
78 | 1 | 8 | VAL | HG11 | H | 1.08 | 0.02 | 2 |
79 | 1 | 8 | VAL | HG12 | H | 1.08 | 0.02 | 2 |
80 | 1 | 8 | VAL | HG13 | H | 1.08 | 0.02 | 2 |
81 | 1 | 8 | VAL | HG21 | H | 1.16 | 0.02 | 2 |
82 | 1 | 8 | VAL | HG22 | H | 1.16 | 0.02 | 2 |
83 | 1 | 8 | VAL | HG23 | H | 1.16 | 0.02 | 2 |
84 | 1 | 8 | VAL | C | C | 173.83 | 0.10 | 1 |
85 | 1 | 8 | VAL | CA | C | 59.40 | 0.10 | 1 |
86 | 1 | 8 | VAL | CB | C | 35.69 | 0.10 | 1 |
87 | 1 | 8 | VAL | CG1 | C | 22.07 | 0.10 | 2 |
88 | 1 | 8 | VAL | CG2 | C | 21.91 | 0.10 | 2 |
89 | 1 | 8 | VAL | N | N | 119.62 | 0.10 | 1 |
90 | 1 | 9 | GLY | H | H | 8.99 | 0.02 | 1 |
91 | 1 | 9 | GLY | HA2 | H | 4.71 | 0.02 | 2 |
92 | 1 | 9 | GLY | HA3 | H | 4.14 | 0.02 | 2 |
93 | 1 | 9 | GLY | C | C | 175.26 | 0.10 | 1 |
94 | 1 | 9 | GLY | CA | C | 45.14 | 0.10 | 1 |
95 | 1 | 9 | GLY | N | N | 113.42 | 0.10 | 1 |
96 | 1 | 10 | ASP | H | H | 8.56 | 0.02 | 1 |
97 | 1 | 10 | ASP | HA | H | 4.22 | 0.02 | 1 |
98 | 1 | 10 | ASP | HB2 | H | 2.66 | 0.02 | 2 |
99 | 1 | 10 | ASP | HB3 | H | 2.65 | 0.02 | 2 |
100 | 1 | 10 | ASP | C | C | 178.09 | 0.10 | 1 |
101 | 1 | 10 | ASP | CA | C | 58.19 | 0.10 | 1 |
102 | 1 | 10 | ASP | CB | C | 41.75 | 0.10 | 1 |
103 | 1 | 10 | ASP | N | N | 119.21 | 0.10 | 1 |
104 | 1 | 11 | ASP | H | H | 8.95 | 0.02 | 1 |
105 | 1 | 11 | ASP | HA | H | 4.46 | 0.02 | 1 |
106 | 1 | 11 | ASP | HB2 | H | 2.81 | 0.02 | 2 |
107 | 1 | 11 | ASP | HB3 | H | 2.75 | 0.02 | 2 |
108 | 1 | 11 | ASP | C | C | 177.32 | 0.10 | 1 |
109 | 1 | 11 | ASP | CA | C | 56.47 | 0.10 | 1 |
110 | 1 | 11 | ASP | CB | C | 39.76 | 0.10 | 1 |
111 | 1 | 11 | ASP | N | N | 115.96 | 0.10 | 1 |
112 | 1 | 12 | GLN | H | H | 7.41 | 0.02 | 1 |
113 | 1 | 12 | GLN | HA | H | 4.85 | 0.02 | 1 |
114 | 1 | 12 | GLN | HB2 | H | 2.09 | 0.02 | 2 |
115 | 1 | 12 | GLN | HB3 | H | 1.92 | 0.02 | 2 |
116 | 1 | 12 | GLN | HG2 | H | 2.30 | 0.02 | 2 |
117 | 1 | 12 | GLN | HG3 | H | 2.34 | 0.02 | 2 |
118 | 1 | 12 | GLN | C | C | 175.53 | 0.10 | 1 |
119 | 1 | 12 | GLN | CA | C | 55.60 | 0.10 | 1 |
120 | 1 | 12 | GLN | CB | C | 30.33 | 0.10 | 1 |
121 | 1 | 12 | GLN | CG | C | 34.17 | 0.10 | 1 |
122 | 1 | 12 | GLN | N | N | 116.20 | 0.10 | 1 |
123 | 1 | 13 | PHE | H | H | 7.68 | 0.02 | 1 |
124 | 1 | 13 | PHE | HA | H | 3.87 | 0.02 | 1 |
125 | 1 | 13 | PHE | HB2 | H | 3.24 | 0.02 | 2 |
126 | 1 | 13 | PHE | HB3 | H | 3.07 | 0.02 | 2 |
127 | 1 | 13 | PHE | HD1 | H | 7.00 | 0.02 | 3 |
128 | 1 | 13 | PHE | HD2 | H | 7.00 | 0.02 | 3 |
129 | 1 | 13 | PHE | HE1 | H | 7.20 | 0.02 | 3 |
130 | 1 | 13 | PHE | HE2 | H | 7.20 | 0.02 | 3 |
131 | 1 | 13 | PHE | C | C | 177.09 | 0.10 | 1 |
132 | 1 | 13 | PHE | CA | C | 62.65 | 0.10 | 1 |
133 | 1 | 13 | PHE | CB | C | 40.01 | 0.10 | 1 |
134 | 1 | 13 | PHE | CD1 | C | 131.67 | 0.10 | 3 |
135 | 1 | 13 | PHE | CD2 | C | 131.67 | 0.10 | 3 |
136 | 1 | 13 | PHE | CE1 | C | 131.95 | 0.10 | 3 |
137 | 1 | 13 | PHE | CE2 | C | 131.95 | 0.10 | 3 |
138 | 1 | 13 | PHE | N | N | 121.08 | 0.10 | 1 |
139 | 1 | 14 | GLU | H | H | 9.30 | 0.02 | 1 |
140 | 1 | 14 | GLU | HA | H | 3.74 | 0.02 | 1 |
141 | 1 | 14 | GLU | HB2 | H | 2.07 | 0.02 | 2 |
142 | 1 | 14 | GLU | HB3 | H | 2.03 | 0.02 | 2 |
143 | 1 | 14 | GLU | HG2 | H | 2.34 | 0.02 | 2 |
144 | 1 | 14 | GLU | HG3 | H | 2.42 | 0.02 | 2 |
145 | 1 | 14 | GLU | C | C | 178.52 | 0.10 | 1 |
146 | 1 | 14 | GLU | CA | C | 60.11 | 0.10 | 1 |
147 | 1 | 14 | GLU | CB | C | 28.69 | 0.10 | 1 |
148 | 1 | 14 | GLU | CG | C | 36.28 | 0.10 | 1 |
149 | 1 | 14 | GLU | N | N | 121.13 | 0.10 | 1 |
150 | 1 | 15 | GLU | H | H | 8.43 | 0.02 | 1 |
151 | 1 | 15 | GLU | HA | H | 3.93 | 0.02 | 1 |
152 | 1 | 15 | GLU | HB2 | H | 2.09 | 0.02 | 2 |
153 | 1 | 15 | GLU | HB3 | H | 1.93 | 0.02 | 2 |
154 | 1 | 15 | GLU | HG2 | H | 2.18 | 0.02 | 2 |
155 | 1 | 15 | GLU | HG3 | H | 2.24 | 0.02 | 2 |
156 | 1 | 15 | GLU | C | C | 178.46 | 0.10 | 1 |
157 | 1 | 15 | GLU | CA | C | 59.57 | 0.10 | 1 |
158 | 1 | 15 | GLU | CB | C | 29.60 | 0.10 | 1 |
159 | 1 | 15 | GLU | CG | C | 35.91 | 0.10 | 1 |
160 | 1 | 15 | GLU | N | N | 119.73 | 0.10 | 1 |
161 | 1 | 16 | VAL | H | H | 7.88 | 0.02 | 1 |
162 | 1 | 16 | VAL | HA | H | 3.47 | 0.02 | 1 |
163 | 1 | 16 | VAL | HB | H | 1.86 | 0.02 | 1 |
164 | 1 | 16 | VAL | HG11 | H | 1.01 | 0.02 | 2 |
165 | 1 | 16 | VAL | HG12 | H | 1.01 | 0.02 | 2 |
166 | 1 | 16 | VAL | HG13 | H | 1.01 | 0.02 | 2 |
167 | 1 | 16 | VAL | HG21 | H | 0.76 | 0.02 | 2 |
168 | 1 | 16 | VAL | HG22 | H | 0.76 | 0.02 | 2 |
169 | 1 | 16 | VAL | HG23 | H | 0.76 | 0.02 | 2 |
170 | 1 | 16 | VAL | C | C | 177.30 | 0.10 | 1 |
171 | 1 | 16 | VAL | CA | C | 66.72 | 0.10 | 1 |
172 | 1 | 16 | VAL | CB | C | 31.82 | 0.10 | 1 |
173 | 1 | 16 | VAL | CG1 | C | 24.21 | 0.10 | 2 |
174 | 1 | 16 | VAL | CG2 | C | 21.75 | 0.10 | 2 |
175 | 1 | 16 | VAL | N | N | 117.43 | 0.10 | 1 |
176 | 1 | 17 | SER | H | H | 8.28 | 0.02 | 1 |
177 | 1 | 17 | SER | HA | H | 3.73 | 0.02 | 1 |
178 | 1 | 17 | SER | HB2 | H | 3.37 | 0.02 | 2 |
179 | 1 | 17 | SER | HB3 | H | 3.28 | 0.02 | 2 |
180 | 1 | 17 | SER | C | C | 176.51 | 0.10 | 1 |
181 | 1 | 17 | SER | CA | C | 62.46 | 0.10 | 1 |
182 | 1 | 17 | SER | CB | C | 62.44 | 0.10 | 1 |
183 | 1 | 17 | SER | N | N | 113.88 | 0.10 | 1 |
184 | 1 | 18 | ARG | H | H | 8.06 | 0.02 | 1 |
185 | 1 | 18 | ARG | HA | H | 3.93 | 0.02 | 1 |
186 | 1 | 18 | ARG | HB2 | H | 1.95 | 0.02 | 2 |
187 | 1 | 18 | ARG | HB3 | H | 1.88 | 0.02 | 2 |
188 | 1 | 18 | ARG | HG2 | H | 1.48 | 0.02 | 2 |
189 | 1 | 18 | ARG | HG3 | H | 1.70 | 0.02 | 2 |
190 | 1 | 18 | ARG | HD2 | H | 3.17 | 0.02 | 2 |
191 | 1 | 18 | ARG | HD3 | H | 3.19 | 0.02 | 2 |
192 | 1 | 18 | ARG | C | C | 179.07 | 0.10 | 1 |
193 | 1 | 18 | ARG | CA | C | 59.81 | 0.10 | 1 |
194 | 1 | 18 | ARG | CB | C | 30.17 | 0.10 | 1 |
195 | 1 | 18 | ARG | CG | C | 27.51 | 0.10 | 1 |
196 | 1 | 18 | ARG | CD | C | 43.57 | 0.10 | 1 |
197 | 1 | 18 | ARG | N | N | 120.66 | 0.10 | 1 |
198 | 1 | 19 | GLU | H | H | 7.72 | 0.02 | 1 |
199 | 1 | 19 | GLU | HA | H | 3.97 | 0.02 | 1 |
200 | 1 | 19 | GLU | HB2 | H | 2.04 | 0.02 | 2 |
201 | 1 | 19 | GLU | HB3 | H | 1.99 | 0.02 | 2 |
202 | 1 | 19 | GLU | HG2 | H | 2.30 | 0.02 | 2 |
203 | 1 | 19 | GLU | HG3 | H | 2.44 | 0.02 | 2 |
204 | 1 | 19 | GLU | C | C | 179.30 | 0.10 | 1 |
205 | 1 | 19 | GLU | CA | C | 58.83 | 0.10 | 1 |
206 | 1 | 19 | GLU | CB | C | 29.66 | 0.10 | 1 |
207 | 1 | 19 | GLU | CG | C | 35.74 | 0.10 | 1 |
208 | 1 | 19 | GLU | N | N | 118.71 | 0.10 | 1 |
209 | 1 | 20 | ILE | H | H | 8.03 | 0.02 | 1 |
210 | 1 | 20 | ILE | HA | H | 3.58 | 0.02 | 1 |
211 | 1 | 20 | ILE | HB | H | 1.90 | 0.02 | 1 |
212 | 1 | 20 | ILE | HG12 | H | 1.67 | 0.02 | 2 |
213 | 1 | 20 | ILE | HG13 | H | 1.32 | 0.02 | 2 |
214 | 1 | 20 | ILE | HG21 | H | 0.98 | 0.02 | 1 |
215 | 1 | 20 | ILE | HG22 | H | 0.98 | 0.02 | 1 |
216 | 1 | 20 | ILE | HG23 | H | 0.98 | 0.02 | 1 |
217 | 1 | 20 | ILE | HD11 | H | 0.76 | 0.02 | 1 |
218 | 1 | 20 | ILE | HD12 | H | 0.76 | 0.02 | 1 |
219 | 1 | 20 | ILE | HD13 | H | 0.76 | 0.02 | 1 |
220 | 1 | 20 | ILE | C | C | 177.99 | 0.10 | 1 |
221 | 1 | 20 | ILE | CA | C | 64.43 | 0.10 | 1 |
222 | 1 | 20 | ILE | CB | C | 37.43 | 0.10 | 1 |
223 | 1 | 20 | ILE | CG1 | C | 29.86 | 0.10 | 1 |
224 | 1 | 20 | ILE | CG2 | C | 18.11 | 0.10 | 1 |
225 | 1 | 20 | ILE | CD1 | C | 13.22 | 0.10 | 1 |
226 | 1 | 20 | ILE | N | N | 120.33 | 0.10 | 1 |
227 | 1 | 21 | LYS | H | H | 8.05 | 0.02 | 1 |
228 | 1 | 21 | LYS | HA | H | 4.04 | 0.02 | 1 |
229 | 1 | 21 | LYS | HB2 | H | 1.83 | 0.02 | 2 |
230 | 1 | 21 | LYS | HB3 | H | 1.81 | 0.02 | 2 |
231 | 1 | 21 | LYS | HG2 | H | 1.49 | 0.02 | 2 |
232 | 1 | 21 | LYS | HG3 | H | 1.50 | 0.02 | 2 |
233 | 1 | 21 | LYS | HD2 | H | 1.61 | 0.02 | 2 |
234 | 1 | 21 | LYS | HD3 | H | 1.62 | 0.02 | 2 |
235 | 1 | 21 | LYS | HE2 | H | 2.92 | 0.02 | 2 |
236 | 1 | 21 | LYS | HE3 | H | 2.93 | 0.02 | 2 |
237 | 1 | 21 | LYS | C | C | 179.84 | 0.10 | 1 |
238 | 1 | 21 | LYS | CA | C | 59.19 | 0.10 | 1 |
239 | 1 | 21 | LYS | CB | C | 32.15 | 0.10 | 1 |
240 | 1 | 21 | LYS | CG | C | 25.36 | 0.10 | 1 |
241 | 1 | 21 | LYS | CD | C | 29.17 | 0.10 | 1 |
242 | 1 | 21 | LYS | CE | C | 42.19 | 0.10 | 1 |
243 | 1 | 21 | LYS | N | N | 120.10 | 0.10 | 1 |
244 | 1 | 22 | LYS | H | H | 7.91 | 0.02 | 1 |
245 | 1 | 22 | LYS | HA | H | 3.86 | 0.02 | 1 |
246 | 1 | 22 | LYS | HB2 | H | 1.75 | 0.02 | 2 |
247 | 1 | 22 | LYS | HB3 | H | 1.74 | 0.02 | 2 |
248 | 1 | 22 | LYS | HG2 | H | 1.30 | 0.02 | 2 |
249 | 1 | 22 | LYS | HG3 | H | 1.41 | 0.02 | 2 |
250 | 1 | 22 | LYS | HD2 | H | 1.55 | 0.02 | 2 |
251 | 1 | 22 | LYS | HD3 | H | 1.58 | 0.02 | 2 |
252 | 1 | 22 | LYS | HE2 | H | 2.84 | 0.02 | 2 |
253 | 1 | 22 | LYS | HE3 | H | 2.85 | 0.02 | 2 |
254 | 1 | 22 | LYS | C | C | 177.66 | 0.10 | 1 |
255 | 1 | 22 | LYS | CA | C | 58.83 | 0.10 | 1 |
256 | 1 | 22 | LYS | CB | C | 32.36 | 0.10 | 1 |
257 | 1 | 22 | LYS | CG | C | 24.69 | 0.10 | 1 |
258 | 1 | 22 | LYS | CD | C | 29.45 | 0.10 | 1 |
259 | 1 | 22 | LYS | CE | C | 41.86 | 0.10 | 1 |
260 | 1 | 22 | LYS | N | N | 119.76 | 0.10 | 1 |
261 | 1 | 23 | ALA | H | H | 7.10 | 0.02 | 1 |
262 | 1 | 23 | ALA | HA | H | 3.84 | 0.02 | 1 |
263 | 1 | 23 | ALA | HB1 | H | 0.31 | 0.02 | 1 |
264 | 1 | 23 | ALA | HB2 | H | 0.31 | 0.02 | 1 |
265 | 1 | 23 | ALA | HB3 | H | 0.31 | 0.02 | 1 |
266 | 1 | 23 | ALA | C | C | 178.33 | 0.10 | 1 |
267 | 1 | 23 | ALA | CA | C | 52.75 | 0.10 | 1 |
268 | 1 | 23 | ALA | CB | C | 17.27 | 0.10 | 1 |
269 | 1 | 23 | ALA | N | N | 119.06 | 0.10 | 1 |
270 | 1 | 24 | GLY | H | H | 7.53 | 0.02 | 1 |
271 | 1 | 24 | GLY | HA2 | H | 3.89 | 0.02 | 2 |
272 | 1 | 24 | GLY | HA3 | H | 3.67 | 0.02 | 2 |
273 | 1 | 24 | GLY | C | C | 174.44 | 0.10 | 1 |
274 | 1 | 24 | GLY | CA | C | 45.45 | 0.10 | 1 |
275 | 1 | 24 | GLY | N | N | 104.18 | 0.10 | 1 |
276 | 1 | 25 | TRP | H | H | 6.67 | 0.02 | 1 |
277 | 1 | 25 | TRP | HA | H | 4.77 | 0.02 | 1 |
278 | 1 | 25 | TRP | HB2 | H | 3.04 | 0.02 | 2 |
279 | 1 | 25 | TRP | HB3 | H | 2.94 | 0.02 | 2 |
280 | 1 | 25 | TRP | HD1 | H | 6.94 | 0.02 | 1 |
281 | 1 | 25 | TRP | HE1 | H | 10.24 | 0.02 | 1 |
282 | 1 | 25 | TRP | HZ2 | H | 7.29 | 0.02 | 1 |
283 | 1 | 25 | TRP | HZ3 | H | 6.78 | 0.02 | 1 |
284 | 1 | 25 | TRP | HH2 | H | 7.06 | 0.02 | 1 |
285 | 1 | 25 | TRP | C | C | 176.57 | 0.10 | 1 |
286 | 1 | 25 | TRP | CA | C | 55.20 | 0.10 | 1 |
287 | 1 | 25 | TRP | CB | C | 30.75 | 0.10 | 1 |
288 | 1 | 25 | TRP | CD1 | C | 125.36 | 0.10 | 1 |
289 | 1 | 25 | TRP | CZ2 | C | 114.19 | 0.10 | 1 |
290 | 1 | 25 | TRP | CZ3 | C | 121.06 | 0.10 | 1 |
291 | 1 | 25 | TRP | CH2 | C | 124.56 | 0.10 | 1 |
292 | 1 | 25 | TRP | N | N | 118.58 | 0.10 | 1 |
293 | 1 | 25 | TRP | NE1 | N | 129.78 | 0.10 | 1 |
294 | 1 | 26 | LYS | H | H | 9.07 | 0.02 | 1 |
295 | 1 | 26 | LYS | HA | H | 4.49 | 0.02 | 1 |
296 | 1 | 26 | LYS | HB2 | H | 1.90 | 0.02 | 2 |
297 | 1 | 26 | LYS | HB3 | H | 1.74 | 0.02 | 2 |
298 | 1 | 26 | LYS | HG2 | H | 1.39 | 0.02 | 2 |
299 | 1 | 26 | LYS | HG3 | H | 1.47 | 0.02 | 2 |
300 | 1 | 26 | LYS | HD2 | H | 1.67 | 0.02 | 2 |
301 | 1 | 26 | LYS | HD3 | H | 1.68 | 0.02 | 2 |
302 | 1 | 26 | LYS | HE2 | H | 2.99 | 0.02 | 2 |
303 | 1 | 26 | LYS | HE3 | H | 3.01 | 0.02 | 2 |
304 | 1 | 26 | LYS | C | C | 174.89 | 0.10 | 1 |
305 | 1 | 26 | LYS | CA | C | 55.42 | 0.10 | 1 |
306 | 1 | 26 | LYS | CB | C | 30.51 | 0.10 | 1 |
307 | 1 | 26 | LYS | CG | C | 24.74 | 0.10 | 1 |
308 | 1 | 26 | LYS | CD | C | 29.08 | 0.10 | 1 |
309 | 1 | 26 | LYS | CE | C | 42.28 | 0.10 | 1 |
310 | 1 | 26 | LYS | N | N | 125.19 | 0.10 | 1 |
311 | 1 | 27 | VAL | H | H | 7.34 | 0.02 | 1 |
312 | 1 | 27 | VAL | HA | H | 4.41 | 0.02 | 1 |
313 | 1 | 27 | VAL | HB | H | 1.84 | 0.02 | 1 |
314 | 1 | 27 | VAL | HG11 | H | 0.78 | 0.02 | 2 |
315 | 1 | 27 | VAL | HG12 | H | 0.78 | 0.02 | 2 |
316 | 1 | 27 | VAL | HG13 | H | 0.78 | 0.02 | 2 |
317 | 1 | 27 | VAL | HG21 | H | 0.79 | 0.02 | 2 |
318 | 1 | 27 | VAL | HG22 | H | 0.79 | 0.02 | 2 |
319 | 1 | 27 | VAL | HG23 | H | 0.79 | 0.02 | 2 |
320 | 1 | 27 | VAL | C | C | 174.34 | 0.10 | 1 |
321 | 1 | 27 | VAL | CA | C | 60.15 | 0.10 | 1 |
322 | 1 | 27 | VAL | CB | C | 35.95 | 0.10 | 1 |
323 | 1 | 27 | VAL | CG1 | C | 21.87 | 0.10 | 2 |
324 | 1 | 27 | VAL | CG2 | C | 21.88 | 0.10 | 2 |
325 | 1 | 27 | VAL | N | N | 122.13 | 0.10 | 1 |
326 | 1 | 28 | GLU | H | H | 8.48 | 0.02 | 1 |
327 | 1 | 28 | GLU | HA | H | 4.34 | 0.02 | 1 |
328 | 1 | 28 | GLU | HB2 | H | 1.94 | 0.02 | 2 |
329 | 1 | 28 | GLU | HB3 | H | 1.91 | 0.02 | 2 |
330 | 1 | 28 | GLU | HG2 | H | 2.15 | 0.02 | 2 |
331 | 1 | 28 | GLU | HG3 | H | 2.37 | 0.02 | 2 |
332 | 1 | 28 | GLU | C | C | 174.82 | 0.10 | 1 |
333 | 1 | 28 | GLU | CA | C | 56.08 | 0.10 | 1 |
334 | 1 | 28 | GLU | CB | C | 31.77 | 0.10 | 1 |
335 | 1 | 28 | GLU | CG | C | 36.22 | 0.10 | 1 |
336 | 1 | 28 | GLU | N | N | 125.63 | 0.10 | 1 |
337 | 1 | 29 | VAL | H | H | 8.23 | 0.02 | 1 |
338 | 1 | 29 | VAL | HA | H | 4.71 | 0.02 | 1 |
339 | 1 | 29 | VAL | HB | H | 1.85 | 0.02 | 1 |
340 | 1 | 29 | VAL | HG11 | H | 0.68 | 0.02 | 2 |
341 | 1 | 29 | VAL | HG12 | H | 0.68 | 0.02 | 2 |
342 | 1 | 29 | VAL | HG13 | H | 0.68 | 0.02 | 2 |
343 | 1 | 29 | VAL | HG21 | H | 0.73 | 0.02 | 2 |
344 | 1 | 29 | VAL | HG22 | H | 0.73 | 0.02 | 2 |
345 | 1 | 29 | VAL | HG23 | H | 0.73 | 0.02 | 2 |
346 | 1 | 29 | VAL | C | C | 174.84 | 0.10 | 1 |
347 | 1 | 29 | VAL | CA | C | 61.05 | 0.10 | 1 |
348 | 1 | 29 | VAL | CB | C | 32.64 | 0.10 | 1 |
349 | 1 | 29 | VAL | CG1 | C | 22.44 | 0.10 | 2 |
350 | 1 | 29 | VAL | CG2 | C | 22.09 | 0.10 | 2 |
351 | 1 | 29 | VAL | N | N | 123.54 | 0.10 | 1 |
352 | 1 | 30 | HIS | H | H | 9.34 | 0.02 | 1 |
353 | 1 | 30 | HIS | HA | H | 4.78 | 0.02 | 1 |
354 | 1 | 30 | HIS | HB2 | H | 2.94 | 0.02 | 2 |
355 | 1 | 30 | HIS | HB3 | H | 2.52 | 0.02 | 2 |
356 | 1 | 30 | HIS | HD2 | H | 6.44 | 0.02 | 1 |
357 | 1 | 30 | HIS | C | C | 174.23 | 0.10 | 1 |
358 | 1 | 30 | HIS | CA | C | 54.67 | 0.10 | 1 |
359 | 1 | 30 | HIS | CB | C | 33.96 | 0.10 | 1 |
360 | 1 | 30 | HIS | CD2 | C | 117.88 | 0.10 | 1 |
361 | 1 | 30 | HIS | N | N | 127.53 | 0.10 | 1 |
362 | 1 | 31 | LYS | H | H | 8.71 | 0.02 | 1 |
363 | 1 | 31 | LYS | HA | H | 5.17 | 0.02 | 1 |
364 | 1 | 31 | LYS | HB2 | H | 1.63 | 0.02 | 2 |
365 | 1 | 31 | LYS | HB3 | H | 1.31 | 0.02 | 2 |
366 | 1 | 31 | LYS | HG2 | H | 1.06 | 0.02 | 2 |
367 | 1 | 31 | LYS | HG3 | H | 1.10 | 0.02 | 2 |
368 | 1 | 31 | LYS | HD2 | H | 1.31 | 0.02 | 2 |
369 | 1 | 31 | LYS | HD3 | H | 1.25 | 0.02 | 2 |
370 | 1 | 31 | LYS | HE2 | H | 2.30 | 0.02 | 2 |
371 | 1 | 31 | LYS | HE3 | H | 2.34 | 0.02 | 2 |
372 | 1 | 31 | LYS | C | C | 176.99 | 0.10 | 1 |
373 | 1 | 31 | LYS | CA | C | 55.37 | 0.10 | 1 |
374 | 1 | 31 | LYS | CB | C | 33.15 | 0.10 | 1 |
375 | 1 | 31 | LYS | CG | C | 25.13 | 0.10 | 1 |
376 | 1 | 31 | LYS | CD | C | 28.95 | 0.10 | 1 |
377 | 1 | 31 | LYS | CE | C | 41.42 | 0.10 | 1 |
378 | 1 | 31 | LYS | N | N | 123.12 | 0.10 | 1 |
379 | 1 | 32 | HIS | H | H | 8.76 | 0.02 | 1 |
380 | 1 | 32 | HIS | HA | H | 4.96 | 0.02 | 1 |
381 | 1 | 32 | HIS | HB2 | H | 3.13 | 0.02 | 2 |
382 | 1 | 32 | HIS | HB3 | H | 2.94 | 0.02 | 2 |
383 | 1 | 32 | HIS | HD2 | H | 6.98 | 0.02 | 1 |
384 | 1 | 32 | HIS | C | C | 174.29 | 0.10 | 1 |
385 | 1 | 32 | HIS | CA | C | 54.45 | 0.10 | 1 |
386 | 1 | 32 | HIS | CB | C | 32.38 | 0.10 | 1 |
387 | 1 | 32 | HIS | CD2 | C | 119.28 | 0.10 | 1 |
388 | 1 | 32 | HIS | N | N | 126.81 | 0.10 | 1 |
389 | 1 | 33 | PRO | HA | H | 4.53 | 0.02 | 1 |
390 | 1 | 33 | PRO | HB2 | H | 2.29 | 0.02 | 2 |
391 | 1 | 33 | PRO | HB3 | H | 1.99 | 0.02 | 2 |
392 | 1 | 33 | PRO | HG2 | H | 1.94 | 0.02 | 2 |
393 | 1 | 33 | PRO | HG3 | H | 1.97 | 0.02 | 2 |
394 | 1 | 33 | PRO | HD2 | H | 3.72 | 0.02 | 2 |
395 | 1 | 33 | PRO | HD3 | H | 3.28 | 0.02 | 2 |
396 | 1 | 33 | PRO | C | C | 177.06 | 0.10 | 1 |
397 | 1 | 33 | PRO | CA | C | 64.00 | 0.10 | 1 |
398 | 1 | 33 | PRO | CB | C | 31.86 | 0.10 | 1 |
399 | 1 | 33 | PRO | CG | C | 27.37 | 0.10 | 1 |
400 | 1 | 33 | PRO | CD | C | 50.76 | 0.10 | 1 |
401 | 1 | 34 | SER | H | H | 8.78 | 0.02 | 1 |
402 | 1 | 34 | SER | HA | H | 4.59 | 0.02 | 1 |
403 | 1 | 34 | SER | HB2 | H | 3.89 | 0.02 | 2 |
404 | 1 | 34 | SER | HB3 | H | 3.85 | 0.02 | 2 |
405 | 1 | 34 | SER | C | C | 174.28 | 0.10 | 1 |
406 | 1 | 34 | SER | CA | C | 58.36 | 0.10 | 1 |
407 | 1 | 34 | SER | CB | C | 64.31 | 0.10 | 1 |
408 | 1 | 34 | SER | N | N | 115.11 | 0.10 | 1 |
409 | 1 | 35 | ASN | H | H | 8.67 | 0.02 | 1 |
410 | 1 | 35 | ASN | HA | H | 4.83 | 0.02 | 1 |
411 | 1 | 35 | ASN | HB2 | H | 2.87 | 0.02 | 2 |
412 | 1 | 35 | ASN | HB3 | H | 2.74 | 0.02 | 2 |
413 | 1 | 35 | ASN | C | C | 175.15 | 0.10 | 1 |
414 | 1 | 35 | ASN | CA | C | 53.70 | 0.10 | 1 |
415 | 1 | 35 | ASN | CB | C | 38.25 | 0.10 | 1 |
416 | 1 | 35 | ASN | N | N | 121.86 | 0.10 | 1 |
417 | 1 | 36 | THR | H | H | 8.00 | 0.02 | 1 |
418 | 1 | 36 | THR | HA | H | 4.49 | 0.02 | 1 |
419 | 1 | 36 | THR | HB | H | 4.19 | 0.02 | 1 |
420 | 1 | 36 | THR | HG21 | H | 1.09 | 0.02 | 1 |
421 | 1 | 36 | THR | HG22 | H | 1.09 | 0.02 | 1 |
422 | 1 | 36 | THR | HG23 | H | 1.09 | 0.02 | 1 |
423 | 1 | 36 | THR | C | C | 174.18 | 0.10 | 1 |
424 | 1 | 36 | THR | CA | C | 61.40 | 0.10 | 1 |
425 | 1 | 36 | THR | CB | C | 70.09 | 0.10 | 1 |
426 | 1 | 36 | THR | CG2 | C | 21.15 | 0.10 | 1 |
427 | 1 | 36 | THR | N | N | 113.57 | 0.10 | 1 |
428 | 1 | 37 | SER | H | H | 8.74 | 0.02 | 1 |
429 | 1 | 37 | SER | HA | H | 4.42 | 0.02 | 1 |
430 | 1 | 37 | SER | HB2 | H | 3.92 | 0.02 | 2 |
431 | 1 | 37 | SER | HB3 | H | 3.90 | 0.02 | 2 |
432 | 1 | 37 | SER | C | C | 173.80 | 0.10 | 1 |
433 | 1 | 37 | SER | CA | C | 58.55 | 0.10 | 1 |
434 | 1 | 37 | SER | CB | C | 63.36 | 0.10 | 1 |
435 | 1 | 37 | SER | N | N | 118.11 | 0.10 | 1 |
436 | 1 | 38 | GLN | H | H | 7.90 | 0.02 | 1 |
437 | 1 | 38 | GLN | HA | H | 4.70 | 0.02 | 1 |
438 | 1 | 38 | GLN | HB2 | H | 2.00 | 0.02 | 2 |
439 | 1 | 38 | GLN | HB3 | H | 1.81 | 0.02 | 2 |
440 | 1 | 38 | GLN | HG2 | H | 2.20 | 0.02 | 2 |
441 | 1 | 38 | GLN | HG3 | H | 2.16 | 0.02 | 2 |
442 | 1 | 38 | GLN | C | C | 174.93 | 0.10 | 1 |
443 | 1 | 38 | GLN | CA | C | 55.72 | 0.10 | 1 |
444 | 1 | 38 | GLN | CB | C | 30.84 | 0.10 | 1 |
445 | 1 | 38 | GLN | CG | C | 33.84 | 0.10 | 1 |
446 | 1 | 38 | GLN | N | N | 119.06 | 0.10 | 1 |
447 | 1 | 39 | VAL | H | H | 8.84 | 0.02 | 1 |
448 | 1 | 39 | VAL | HA | H | 4.73 | 0.02 | 1 |
449 | 1 | 39 | VAL | HB | H | 1.98 | 0.02 | 1 |
450 | 1 | 39 | VAL | HG11 | H | 0.92 | 0.02 | 2 |
451 | 1 | 39 | VAL | HG12 | H | 0.92 | 0.02 | 2 |
452 | 1 | 39 | VAL | HG13 | H | 0.92 | 0.02 | 2 |
453 | 1 | 39 | VAL | HG21 | H | 0.89 | 0.02 | 2 |
454 | 1 | 39 | VAL | HG22 | H | 0.89 | 0.02 | 2 |
455 | 1 | 39 | VAL | HG23 | H | 0.89 | 0.02 | 2 |
456 | 1 | 39 | VAL | C | C | 175.53 | 0.10 | 1 |
457 | 1 | 39 | VAL | CA | C | 61.69 | 0.10 | 1 |
458 | 1 | 39 | VAL | CB | C | 34.26 | 0.10 | 1 |
459 | 1 | 39 | VAL | CG1 | C | 21.72 | 0.10 | 2 |
460 | 1 | 39 | VAL | CG2 | C | 22.81 | 0.10 | 2 |
461 | 1 | 39 | VAL | N | N | 123.05 | 0.10 | 1 |
462 | 1 | 40 | THR | H | H | 9.11 | 0.02 | 1 |
463 | 1 | 40 | THR | HA | H | 5.48 | 0.02 | 1 |
464 | 1 | 40 | THR | HB | H | 4.01 | 0.02 | 1 |
465 | 1 | 40 | THR | HG21 | H | 1.11 | 0.02 | 1 |
466 | 1 | 40 | THR | HG22 | H | 1.11 | 0.02 | 1 |
467 | 1 | 40 | THR | HG23 | H | 1.11 | 0.02 | 1 |
468 | 1 | 40 | THR | C | C | 173.75 | 0.10 | 1 |
469 | 1 | 40 | THR | CA | C | 61.50 | 0.10 | 1 |
470 | 1 | 40 | THR | CB | C | 71.21 | 0.10 | 1 |
471 | 1 | 40 | THR | CG2 | C | 22.07 | 0.10 | 1 |
472 | 1 | 40 | THR | N | N | 122.67 | 0.10 | 1 |
473 | 1 | 41 | VAL | H | H | 9.78 | 0.02 | 1 |
474 | 1 | 41 | VAL | HA | H | 5.20 | 0.02 | 1 |
475 | 1 | 41 | VAL | HB | H | 2.37 | 0.02 | 1 |
476 | 1 | 41 | VAL | HG11 | H | 1.12 | 0.02 | 2 |
477 | 1 | 41 | VAL | HG12 | H | 1.12 | 0.02 | 2 |
478 | 1 | 41 | VAL | HG13 | H | 1.12 | 0.02 | 2 |
479 | 1 | 41 | VAL | HG21 | H | 1.14 | 0.02 | 2 |
480 | 1 | 41 | VAL | HG22 | H | 1.14 | 0.02 | 2 |
481 | 1 | 41 | VAL | HG23 | H | 1.14 | 0.02 | 2 |
482 | 1 | 41 | VAL | C | C | 175.09 | 0.10 | 1 |
483 | 1 | 41 | VAL | CA | C | 61.19 | 0.10 | 1 |
484 | 1 | 41 | VAL | CB | C | 34.77 | 0.10 | 1 |
485 | 1 | 41 | VAL | CG1 | C | 21.86 | 0.10 | 2 |
486 | 1 | 41 | VAL | CG2 | C | 21.91 | 0.10 | 2 |
487 | 1 | 41 | VAL | N | N | 128.09 | 0.10 | 1 |
488 | 1 | 42 | THR | H | H | 9.58 | 0.02 | 1 |
489 | 1 | 42 | THR | HA | H | 5.49 | 0.02 | 1 |
490 | 1 | 42 | THR | HB | H | 4.22 | 0.02 | 1 |
491 | 1 | 42 | THR | HG21 | H | 1.18 | 0.02 | 1 |
492 | 1 | 42 | THR | HG22 | H | 1.18 | 0.02 | 1 |
493 | 1 | 42 | THR | HG23 | H | 1.18 | 0.02 | 1 |
494 | 1 | 42 | THR | C | C | 173.64 | 0.10 | 1 |
495 | 1 | 42 | THR | CA | C | 60.74 | 0.10 | 1 |
496 | 1 | 42 | THR | CB | C | 71.06 | 0.10 | 1 |
497 | 1 | 42 | THR | CG2 | C | 21.74 | 0.10 | 1 |
498 | 1 | 42 | THR | N | N | 121.14 | 0.10 | 1 |
499 | 1 | 43 | LYS | H | H | 8.59 | 0.02 | 1 |
500 | 1 | 43 | LYS | HA | H | 4.87 | 0.02 | 1 |
501 | 1 | 43 | LYS | HB2 | H | 2.13 | 0.02 | 2 |
502 | 1 | 43 | LYS | HB3 | H | 1.84 | 0.02 | 2 |
503 | 1 | 43 | LYS | HG2 | H | 1.34 | 0.02 | 2 |
504 | 1 | 43 | LYS | HG3 | H | 1.35 | 0.02 | 2 |
505 | 1 | 43 | LYS | HD2 | H | 1.63 | 0.02 | 2 |
506 | 1 | 43 | LYS | HD3 | H | 1.63 | 0.02 | 2 |
507 | 1 | 43 | LYS | HE2 | H | 2.91 | 0.02 | 2 |
508 | 1 | 43 | LYS | HE3 | H | 2.92 | 0.02 | 2 |
509 | 1 | 43 | LYS | C | C | 176.98 | 0.10 | 1 |
510 | 1 | 43 | LYS | CA | C | 56.29 | 0.10 | 1 |
511 | 1 | 43 | LYS | CB | C | 35.22 | 0.10 | 1 |
512 | 1 | 43 | LYS | CG | C | 25.30 | 0.10 | 1 |
513 | 1 | 43 | LYS | CD | C | 29.82 | 0.10 | 1 |
514 | 1 | 43 | LYS | CE | C | 42.08 | 0.10 | 1 |
515 | 1 | 43 | LYS | N | N | 123.42 | 0.10 | 1 |
516 | 1 | 44 | GLY | H | H | 9.38 | 0.02 | 1 |
517 | 1 | 44 | GLY | HA2 | H | 4.03 | 0.02 | 2 |
518 | 1 | 44 | GLY | HA3 | H | 3.79 | 0.02 | 2 |
519 | 1 | 44 | GLY | C | C | 174.62 | 0.10 | 1 |
520 | 1 | 44 | GLY | CA | C | 47.31 | 0.10 | 1 |
521 | 1 | 44 | GLY | N | N | 119.21 | 0.10 | 1 |
522 | 1 | 45 | ASN | H | H | 8.82 | 0.02 | 1 |
523 | 1 | 45 | ASN | HA | H | 4.68 | 0.02 | 1 |
524 | 1 | 45 | ASN | HB2 | H | 2.89 | 0.02 | 2 |
525 | 1 | 45 | ASN | HB3 | H | 2.84 | 0.02 | 2 |
526 | 1 | 45 | ASN | C | C | 174.55 | 0.10 | 1 |
527 | 1 | 45 | ASN | CA | C | 53.08 | 0.10 | 1 |
528 | 1 | 45 | ASN | CB | C | 38.18 | 0.10 | 1 |
529 | 1 | 45 | ASN | N | N | 124.20 | 0.10 | 1 |
530 | 1 | 46 | LYS | H | H | 7.78 | 0.02 | 1 |
531 | 1 | 46 | LYS | HA | H | 4.28 | 0.02 | 1 |
532 | 1 | 46 | LYS | HB2 | H | 1.68 | 0.02 | 2 |
533 | 1 | 46 | LYS | HB3 | H | 1.08 | 0.02 | 2 |
534 | 1 | 46 | LYS | HG2 | H | 1.07 | 0.02 | 2 |
535 | 1 | 46 | LYS | HG3 | H | 1.25 | 0.02 | 2 |
536 | 1 | 46 | LYS | HD2 | H | 1.54 | 0.02 | 2 |
537 | 1 | 46 | LYS | HD3 | H | 1.60 | 0.02 | 2 |
538 | 1 | 46 | LYS | HE2 | H | 2.85 | 0.02 | 2 |
539 | 1 | 46 | LYS | HE3 | H | 2.90 | 0.02 | 2 |
540 | 1 | 46 | LYS | C | C | 174.31 | 0.10 | 1 |
541 | 1 | 46 | LYS | CA | C | 55.19 | 0.10 | 1 |
542 | 1 | 46 | LYS | CB | C | 35.31 | 0.10 | 1 |
543 | 1 | 46 | LYS | CG | C | 24.94 | 0.10 | 1 |
544 | 1 | 46 | LYS | CD | C | 28.97 | 0.10 | 1 |
545 | 1 | 46 | LYS | CE | C | 42.27 | 0.10 | 1 |
546 | 1 | 46 | LYS | N | N | 120.83 | 0.10 | 1 |
547 | 1 | 47 | GLN | H | H | 7.61 | 0.02 | 1 |
548 | 1 | 47 | GLN | HA | H | 5.30 | 0.02 | 1 |
549 | 1 | 47 | GLN | HB2 | H | 1.70 | 0.02 | 2 |
550 | 1 | 47 | GLN | HB3 | H | 1.68 | 0.02 | 2 |
551 | 1 | 47 | GLN | HG2 | H | 2.03 | 0.02 | 2 |
552 | 1 | 47 | GLN | HG3 | H | 2.07 | 0.02 | 2 |
553 | 1 | 47 | GLN | C | C | 174.22 | 0.10 | 1 |
554 | 1 | 47 | GLN | CA | C | 54.24 | 0.10 | 1 |
555 | 1 | 47 | GLN | CB | C | 32.92 | 0.10 | 1 |
556 | 1 | 47 | GLN | CG | C | 33.82 | 0.10 | 1 |
557 | 1 | 47 | GLN | N | N | 117.93 | 0.10 | 1 |
558 | 1 | 48 | TRP | H | H | 9.39 | 0.02 | 1 |
559 | 1 | 48 | TRP | HA | H | 4.50 | 0.02 | 1 |
560 | 1 | 48 | TRP | HB2 | H | 2.69 | 0.02 | 2 |
561 | 1 | 48 | TRP | HB3 | H | 2.51 | 0.02 | 2 |
562 | 1 | 48 | TRP | HD1 | H | 6.97 | 0.02 | 1 |
563 | 1 | 48 | TRP | HE1 | H | 10.05 | 0.02 | 1 |
564 | 1 | 48 | TRP | HZ2 | H | 7.51 | 0.02 | 1 |
565 | 1 | 48 | TRP | HZ3 | H | 6.98 | 0.02 | 1 |
566 | 1 | 48 | TRP | HH2 | H | 7.16 | 0.02 | 1 |
567 | 1 | 48 | TRP | C | C | 174.36 | 0.10 | 1 |
568 | 1 | 48 | TRP | CA | C | 58.15 | 0.10 | 1 |
569 | 1 | 48 | TRP | CB | C | 33.78 | 0.10 | 1 |
570 | 1 | 48 | TRP | CD1 | C | 126.74 | 0.10 | 1 |
571 | 1 | 48 | TRP | CZ2 | C | 114.19 | 0.10 | 1 |
572 | 1 | 48 | TRP | CZ3 | C | 121.26 | 0.10 | 1 |
573 | 1 | 48 | TRP | CH2 | C | 123.93 | 0.10 | 1 |
574 | 1 | 48 | TRP | N | N | 124.79 | 0.10 | 1 |
575 | 1 | 48 | TRP | NE1 | N | 128.20 | 0.10 | 1 |
576 | 1 | 49 | THR | H | H | 8.15 | 0.02 | 1 |
577 | 1 | 49 | THR | HA | H | 5.12 | 0.02 | 1 |
578 | 1 | 49 | THR | HB | H | 3.73 | 0.02 | 1 |
579 | 1 | 49 | THR | HG21 | H | 1.02 | 0.02 | 1 |
580 | 1 | 49 | THR | HG22 | H | 1.02 | 0.02 | 1 |
581 | 1 | 49 | THR | HG23 | H | 1.02 | 0.02 | 1 |
582 | 1 | 49 | THR | C | C | 173.13 | 0.10 | 1 |
583 | 1 | 49 | THR | CA | C | 61.01 | 0.10 | 1 |
584 | 1 | 49 | THR | CB | C | 70.93 | 0.10 | 1 |
585 | 1 | 49 | THR | CG2 | C | 21.89 | 0.10 | 1 |
586 | 1 | 49 | THR | N | N | 115.49 | 0.10 | 1 |
587 | 1 | 50 | PHE | H | H | 9.09 | 0.02 | 1 |
588 | 1 | 50 | PHE | HA | H | 4.74 | 0.02 | 1 |
589 | 1 | 50 | PHE | HB2 | H | 3.29 | 0.02 | 2 |
590 | 1 | 50 | PHE | HB3 | H | 2.57 | 0.02 | 2 |
591 | 1 | 50 | PHE | HD1 | H | 7.12 | 0.02 | 3 |
592 | 1 | 50 | PHE | HD2 | H | 7.12 | 0.02 | 3 |
593 | 1 | 50 | PHE | HE1 | H | 6.89 | 0.02 | 3 |
594 | 1 | 50 | PHE | HE2 | H | 6.89 | 0.02 | 3 |
595 | 1 | 50 | PHE | HZ | H | 5.94 | 0.02 | 1 |
596 | 1 | 50 | PHE | C | C | 175.10 | 0.10 | 1 |
597 | 1 | 50 | PHE | CA | C | 56.92 | 0.10 | 1 |
598 | 1 | 50 | PHE | CB | C | 43.68 | 0.10 | 1 |
599 | 1 | 50 | PHE | CD1 | C | 131.92 | 0.10 | 3 |
600 | 1 | 50 | PHE | CD2 | C | 131.92 | 0.10 | 3 |
601 | 1 | 50 | PHE | CE1 | C | 130.83 | 0.10 | 3 |
602 | 1 | 50 | PHE | CE2 | C | 130.83 | 0.10 | 3 |
603 | 1 | 50 | PHE | CZ | C | 129.61 | 0.10 | 1 |
604 | 1 | 50 | PHE | N | N | 121.72 | 0.10 | 1 |
605 | 1 | 51 | LYS | H | H | 8.74 | 0.02 | 1 |
606 | 1 | 51 | LYS | HA | H | 4.44 | 0.02 | 1 |
607 | 1 | 51 | LYS | HB2 | H | 1.93 | 0.02 | 2 |
608 | 1 | 51 | LYS | HB3 | H | 1.85 | 0.02 | 2 |
609 | 1 | 51 | LYS | HG2 | H | 1.52 | 0.02 | 2 |
610 | 1 | 51 | LYS | HG3 | H | 1.55 | 0.02 | 2 |
611 | 1 | 51 | LYS | HD2 | H | 1.73 | 0.02 | 2 |
612 | 1 | 51 | LYS | HD3 | H | 1.75 | 0.02 | 2 |
613 | 1 | 51 | LYS | HE2 | H | 3.01 | 0.02 | 2 |
614 | 1 | 51 | LYS | HE3 | H | 3.03 | 0.02 | 2 |
615 | 1 | 51 | LYS | C | C | 175.62 | 0.10 | 1 |
616 | 1 | 51 | LYS | CA | C | 57.39 | 0.10 | 1 |
617 | 1 | 51 | LYS | CB | C | 33.19 | 0.10 | 1 |
618 | 1 | 51 | LYS | CG | C | 25.04 | 0.10 | 1 |
619 | 1 | 51 | LYS | CD | C | 29.09 | 0.10 | 1 |
620 | 1 | 51 | LYS | CE | C | 42.10 | 0.10 | 1 |
621 | 1 | 51 | LYS | N | N | 120.80 | 0.10 | 1 |
622 | 1 | 52 | ASP | H | H | 7.68 | 0.02 | 1 |
623 | 1 | 52 | ASP | HA | H | 5.18 | 0.02 | 1 |
624 | 1 | 52 | ASP | HB2 | H | 2.86 | 0.02 | 2 |
625 | 1 | 52 | ASP | HB3 | H | 2.76 | 0.02 | 2 |
626 | 1 | 52 | ASP | C | C | 175.24 | 0.10 | 1 |
627 | 1 | 52 | ASP | CA | C | 50.81 | 0.10 | 1 |
628 | 1 | 52 | ASP | CB | C | 43.03 | 0.10 | 1 |
629 | 1 | 52 | ASP | N | N | 116.59 | 0.10 | 1 |
630 | 1 | 53 | PRO | HA | H | 4.01 | 0.02 | 1 |
631 | 1 | 53 | PRO | HB2 | H | 2.04 | 0.02 | 2 |
632 | 1 | 53 | PRO | HB3 | H | 1.98 | 0.02 | 2 |
633 | 1 | 53 | PRO | HG2 | H | 1.79 | 0.02 | 2 |
634 | 1 | 53 | PRO | HG3 | H | 2.18 | 0.02 | 2 |
635 | 1 | 53 | PRO | HD2 | H | 4.04 | 0.02 | 2 |
636 | 1 | 53 | PRO | HD3 | H | 4.04 | 0.02 | 2 |
637 | 1 | 53 | PRO | C | C | 177.57 | 0.10 | 1 |
638 | 1 | 53 | PRO | CA | C | 65.32 | 0.10 | 1 |
639 | 1 | 53 | PRO | CB | C | 32.66 | 0.10 | 1 |
640 | 1 | 53 | PRO | CG | C | 27.60 | 0.10 | 1 |
641 | 1 | 53 | PRO | CD | C | 51.38 | 0.10 | 1 |
642 | 1 | 54 | LYS | H | H | 8.27 | 0.02 | 1 |
643 | 1 | 54 | LYS | HA | H | 3.91 | 0.02 | 1 |
644 | 1 | 54 | LYS | HB2 | H | 1.90 | 0.02 | 2 |
645 | 1 | 54 | LYS | HB3 | H | 1.81 | 0.02 | 2 |
646 | 1 | 54 | LYS | HG2 | H | 1.36 | 0.02 | 2 |
647 | 1 | 54 | LYS | HG3 | H | 1.38 | 0.02 | 2 |
648 | 1 | 54 | LYS | HD2 | H | 1.61 | 0.02 | 2 |
649 | 1 | 54 | LYS | HD3 | H | 1.62 | 0.02 | 2 |
650 | 1 | 54 | LYS | HE2 | H | 2.98 | 0.02 | 2 |
651 | 1 | 54 | LYS | HE3 | H | 2.99 | 0.02 | 2 |
652 | 1 | 54 | LYS | C | C | 179.82 | 0.10 | 1 |
653 | 1 | 54 | LYS | CA | C | 59.76 | 0.10 | 1 |
654 | 1 | 54 | LYS | CB | C | 31.72 | 0.10 | 1 |
655 | 1 | 54 | LYS | CG | C | 25.14 | 0.10 | 1 |
656 | 1 | 54 | LYS | CD | C | 28.96 | 0.10 | 1 |
657 | 1 | 54 | LYS | CE | C | 42.00 | 0.10 | 1 |
658 | 1 | 54 | LYS | N | N | 117.69 | 0.10 | 1 |
659 | 1 | 55 | GLN | H | H | 7.74 | 0.02 | 1 |
660 | 1 | 55 | GLN | HA | H | 3.98 | 0.02 | 1 |
661 | 1 | 55 | GLN | HB2 | H | 2.24 | 0.02 | 2 |
662 | 1 | 55 | GLN | HB3 | H | 2.21 | 0.02 | 2 |
663 | 1 | 55 | GLN | HG2 | H | 2.64 | 0.02 | 2 |
664 | 1 | 55 | GLN | HG3 | H | 2.43 | 0.02 | 2 |
665 | 1 | 55 | GLN | C | C | 178.77 | 0.10 | 1 |
666 | 1 | 55 | GLN | CA | C | 58.40 | 0.10 | 1 |
667 | 1 | 55 | GLN | CB | C | 29.07 | 0.10 | 1 |
668 | 1 | 55 | GLN | CG | C | 34.70 | 0.10 | 1 |
669 | 1 | 55 | GLN | N | N | 118.03 | 0.10 | 1 |
670 | 1 | 56 | ALA | H | H | 7.13 | 0.02 | 1 |
671 | 1 | 56 | ALA | HA | H | 2.61 | 0.02 | 1 |
672 | 1 | 56 | ALA | HB1 | H | 1.12 | 0.02 | 1 |
673 | 1 | 56 | ALA | HB2 | H | 1.12 | 0.02 | 1 |
674 | 1 | 56 | ALA | HB3 | H | 1.12 | 0.02 | 1 |
675 | 1 | 56 | ALA | C | C | 178.39 | 0.10 | 1 |
676 | 1 | 56 | ALA | CA | C | 54.40 | 0.10 | 1 |
677 | 1 | 56 | ALA | CB | C | 18.78 | 0.10 | 1 |
678 | 1 | 56 | ALA | N | N | 121.42 | 0.10 | 1 |
679 | 1 | 57 | VAL | H | H | 8.01 | 0.02 | 1 |
680 | 1 | 57 | VAL | HA | H | 3.34 | 0.02 | 1 |
681 | 1 | 57 | VAL | HB | H | 2.13 | 0.02 | 1 |
682 | 1 | 57 | VAL | HG11 | H | 1.02 | 0.02 | 2 |
683 | 1 | 57 | VAL | HG12 | H | 1.02 | 0.02 | 2 |
684 | 1 | 57 | VAL | HG13 | H | 1.02 | 0.02 | 2 |
685 | 1 | 57 | VAL | HG21 | H | 1.00 | 0.02 | 2 |
686 | 1 | 57 | VAL | HG22 | H | 1.00 | 0.02 | 2 |
687 | 1 | 57 | VAL | HG23 | H | 1.00 | 0.02 | 2 |
688 | 1 | 57 | VAL | C | C | 177.48 | 0.10 | 1 |
689 | 1 | 57 | VAL | CA | C | 67.48 | 0.10 | 1 |
690 | 1 | 57 | VAL | CB | C | 31.58 | 0.10 | 1 |
691 | 1 | 57 | VAL | CG1 | C | 23.16 | 0.10 | 2 |
692 | 1 | 57 | VAL | CG2 | C | 21.56 | 0.10 | 2 |
693 | 1 | 57 | VAL | N | N | 117.24 | 0.10 | 1 |
694 | 1 | 58 | GLU | H | H | 7.75 | 0.02 | 1 |
695 | 1 | 58 | GLU | HA | H | 3.99 | 0.02 | 1 |
696 | 1 | 58 | GLU | HB2 | H | 2.04 | 0.02 | 2 |
697 | 1 | 58 | GLU | HB3 | H | 1.95 | 0.02 | 2 |
698 | 1 | 58 | GLU | HG2 | H | 2.16 | 0.02 | 2 |
699 | 1 | 58 | GLU | HG3 | H | 2.38 | 0.02 | 2 |
700 | 1 | 58 | GLU | C | C | 178.11 | 0.10 | 1 |
701 | 1 | 58 | GLU | CA | C | 59.48 | 0.10 | 1 |
702 | 1 | 58 | GLU | CB | C | 29.49 | 0.10 | 1 |
703 | 1 | 58 | GLU | CG | C | 36.70 | 0.10 | 1 |
704 | 1 | 58 | GLU | N | N | 119.67 | 0.10 | 1 |
705 | 1 | 59 | PHE | H | H | 7.54 | 0.02 | 1 |
706 | 1 | 59 | PHE | HA | H | 3.98 | 0.02 | 1 |
707 | 1 | 59 | PHE | HB2 | H | 2.83 | 0.02 | 2 |
708 | 1 | 59 | PHE | HB3 | H | 2.71 | 0.02 | 2 |
709 | 1 | 59 | PHE | HD1 | H | 6.84 | 0.02 | 3 |
710 | 1 | 59 | PHE | HD2 | H | 6.84 | 0.02 | 3 |
711 | 1 | 59 | PHE | HE1 | H | 6.39 | 0.02 | 3 |
712 | 1 | 59 | PHE | HE2 | H | 6.39 | 0.02 | 3 |
713 | 1 | 59 | PHE | C | C | 178.63 | 0.10 | 1 |
714 | 1 | 59 | PHE | CA | C | 61.45 | 0.10 | 1 |
715 | 1 | 59 | PHE | CB | C | 39.59 | 0.10 | 1 |
716 | 1 | 59 | PHE | CD1 | C | 130.90 | 0.10 | 3 |
717 | 1 | 59 | PHE | CD2 | C | 130.90 | 0.10 | 3 |
718 | 1 | 59 | PHE | CE1 | C | 130.27 | 0.10 | 3 |
719 | 1 | 59 | PHE | CE2 | C | 130.27 | 0.10 | 3 |
720 | 1 | 59 | PHE | N | N | 119.89 | 0.10 | 1 |
721 | 1 | 60 | VAL | H | H | 8.15 | 0.02 | 1 |
722 | 1 | 60 | VAL | HA | H | 2.88 | 0.02 | 1 |
723 | 1 | 60 | VAL | HB | H | 2.07 | 0.02 | 1 |
724 | 1 | 60 | VAL | HG11 | H | 0.88 | 0.02 | 2 |
725 | 1 | 60 | VAL | HG12 | H | 0.88 | 0.02 | 2 |
726 | 1 | 60 | VAL | HG13 | H | 0.88 | 0.02 | 2 |
727 | 1 | 60 | VAL | HG21 | H | 0.36 | 0.02 | 2 |
728 | 1 | 60 | VAL | HG22 | H | 0.36 | 0.02 | 2 |
729 | 1 | 60 | VAL | HG23 | H | 0.36 | 0.02 | 2 |
730 | 1 | 60 | VAL | C | C | 176.65 | 0.10 | 1 |
731 | 1 | 60 | VAL | CA | C | 67.22 | 0.10 | 1 |
732 | 1 | 60 | VAL | CB | C | 30.98 | 0.10 | 1 |
733 | 1 | 60 | VAL | CG1 | C | 23.84 | 0.10 | 2 |
734 | 1 | 60 | VAL | CG2 | C | 22.52 | 0.10 | 2 |
735 | 1 | 60 | VAL | N | N | 122.15 | 0.10 | 1 |
736 | 1 | 61 | GLN | H | H | 8.04 | 0.02 | 1 |
737 | 1 | 61 | GLN | HA | H | 3.09 | 0.02 | 1 |
738 | 1 | 61 | GLN | HB2 | H | 2.16 | 0.02 | 2 |
739 | 1 | 61 | GLN | HB3 | H | 2.15 | 0.02 | 2 |
740 | 1 | 61 | GLN | HG2 | H | 2.34 | 0.02 | 2 |
741 | 1 | 61 | GLN | HG3 | H | 2.16 | 0.02 | 2 |
742 | 1 | 61 | GLN | C | C | 178.15 | 0.10 | 1 |
743 | 1 | 61 | GLN | CA | C | 59.40 | 0.10 | 1 |
744 | 1 | 61 | GLN | CB | C | 28.22 | 0.10 | 1 |
745 | 1 | 61 | GLN | CG | C | 33.50 | 0.10 | 1 |
746 | 1 | 61 | GLN | N | N | 118.44 | 0.10 | 1 |
747 | 1 | 62 | LYS | H | H | 7.74 | 0.02 | 1 |
748 | 1 | 62 | LYS | HA | H | 3.89 | 0.02 | 1 |
749 | 1 | 62 | LYS | HB2 | H | 1.62 | 0.02 | 2 |
750 | 1 | 62 | LYS | HB3 | H | 1.60 | 0.02 | 2 |
751 | 1 | 62 | LYS | HG2 | H | 1.32 | 0.02 | 2 |
752 | 1 | 62 | LYS | HG3 | H | 1.43 | 0.02 | 2 |
753 | 1 | 62 | LYS | HD2 | H | 1.53 | 0.02 | 2 |
754 | 1 | 62 | LYS | HD3 | H | 1.54 | 0.02 | 2 |
755 | 1 | 62 | LYS | HE2 | H | 2.86 | 0.02 | 2 |
756 | 1 | 62 | LYS | HE3 | H | 2.87 | 0.02 | 2 |
757 | 1 | 62 | LYS | C | C | 178.64 | 0.10 | 1 |
758 | 1 | 62 | LYS | CA | C | 58.29 | 0.10 | 1 |
759 | 1 | 62 | LYS | CB | C | 32.36 | 0.10 | 1 |
760 | 1 | 62 | LYS | CG | C | 25.21 | 0.10 | 1 |
761 | 1 | 62 | LYS | CD | C | 29.07 | 0.10 | 1 |
762 | 1 | 62 | LYS | CE | C | 42.09 | 0.10 | 1 |
763 | 1 | 62 | LYS | N | N | 116.46 | 0.10 | 1 |
764 | 1 | 63 | SER | H | H | 7.61 | 0.02 | 1 |
765 | 1 | 63 | SER | HA | H | 3.97 | 0.02 | 1 |
766 | 1 | 63 | SER | HB2 | H | 3.37 | 0.02 | 2 |
767 | 1 | 63 | SER | HB3 | H | 3.24 | 0.02 | 2 |
768 | 1 | 63 | SER | C | C | 174.67 | 0.10 | 1 |
769 | 1 | 63 | SER | CA | C | 60.65 | 0.10 | 1 |
770 | 1 | 63 | SER | CB | C | 63.06 | 0.10 | 1 |
771 | 1 | 63 | SER | N | N | 114.44 | 0.10 | 1 |
772 | 1 | 64 | LEU | H | H | 7.22 | 0.02 | 1 |
773 | 1 | 64 | LEU | HA | H | 4.03 | 0.02 | 1 |
774 | 1 | 64 | LEU | HB2 | H | 1.11 | 0.02 | 2 |
775 | 1 | 64 | LEU | HB3 | H | 1.07 | 0.02 | 2 |
776 | 1 | 64 | LEU | HG | H | 1.24 | 0.02 | 1 |
777 | 1 | 64 | LEU | HD11 | H | 0.17 | 0.02 | 2 |
778 | 1 | 64 | LEU | HD12 | H | 0.17 | 0.02 | 2 |
779 | 1 | 64 | LEU | HD13 | H | 0.17 | 0.02 | 2 |
780 | 1 | 64 | LEU | HD21 | H | 0.48 | 0.02 | 2 |
781 | 1 | 64 | LEU | HD22 | H | 0.48 | 0.02 | 2 |
782 | 1 | 64 | LEU | HD23 | H | 0.48 | 0.02 | 2 |
783 | 1 | 64 | LEU | C | C | 177.57 | 0.10 | 1 |
784 | 1 | 64 | LEU | CA | C | 55.29 | 0.10 | 1 |
785 | 1 | 64 | LEU | CB | C | 41.80 | 0.10 | 1 |
786 | 1 | 64 | LEU | CG | C | 26.21 | 0.10 | 1 |
787 | 1 | 64 | LEU | CD1 | C | 25.23 | 0.10 | 2 |
788 | 1 | 64 | LEU | CD2 | C | 22.48 | 0.10 | 2 |
789 | 1 | 64 | LEU | N | N | 120.55 | 0.10 | 1 |
790 | 1 | 65 | GLU | H | H | 7.71 | 0.02 | 1 |
791 | 1 | 65 | GLU | HA | H | 4.06 | 0.02 | 1 |
792 | 1 | 65 | GLU | HB2 | H | 1.88 | 0.02 | 2 |
793 | 1 | 65 | GLU | HB3 | H | 1.86 | 0.02 | 2 |
794 | 1 | 65 | GLU | HG2 | H | 2.08 | 0.02 | 2 |
795 | 1 | 65 | GLU | HG3 | H | 2.17 | 0.02 | 2 |
796 | 1 | 65 | GLU | C | C | 176.49 | 0.10 | 1 |
797 | 1 | 65 | GLU | CA | C | 57.10 | 0.10 | 1 |
798 | 1 | 65 | GLU | CB | C | 29.98 | 0.10 | 1 |
799 | 1 | 65 | GLU | CG | C | 36.21 | 0.10 | 1 |
800 | 1 | 65 | GLU | N | N | 119.60 | 0.10 | 1 |
801 | 1 | 66 | HIS | H | H | 8.01 | 0.02 | 1 |
802 | 1 | 66 | HIS | C | C | 175.33 | 0.10 | 1 |
803 | 1 | 66 | HIS | N | N | 119.02 | 0.10 | 1 |